data_25700 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25700 _Entry.PDB_ID 2N59 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 25700 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 VAL N N 2 123.080 123.080 126.375 -3.295 25700 2 1 1 . 1 1 2 2 VAL HA H 2 4.678 4.678 4.201 0.477 25700 3 1 1 . 1 1 2 2 VAL C C 2 171.871 171.871 174.615 -2.744 25700 4 1 1 . 1 1 2 2 VAL CA C 2 59.500 59.500 61.665 -2.165 25700 5 1 1 . 1 1 2 2 VAL CB C 2 34.185 34.185 32.869 1.316 25700 6 1 1 . 1 1 2 2 VAL H H 2 8.041 8.041 8.596 -0.555 25700 7 1 1 . 1 1 3 3 GLN N N 3 123.080 123.080 123.025 0.055 25700 8 1 1 . 1 1 3 3 GLN HA H 3 4.660 4.660 4.662 -0.002 25700 9 1 1 . 1 1 3 3 GLN CA C 3 54.109 54.109 54.308 -0.199 25700 10 1 1 . 1 1 3 3 GLN CB C 3 33.338 33.338 33.126 0.212 25700 11 1 1 . 1 1 3 3 GLN H H 3 8.126 8.126 8.777 -0.651 25700 12 1 1 . 1 1 4 4 CYS N N 4 115.260 115.260 120.307 -5.047 25700 13 1 1 . 1 1 4 4 CYS HA H 4 5.676 5.676 5.103 0.573 25700 14 1 1 . 1 1 4 4 CYS C C 4 171.720 171.720 173.548 -1.828 25700 15 1 1 . 1 1 4 4 CYS CA C 4 53.402 53.402 57.196 -3.794 25700 16 1 1 . 1 1 4 4 CYS CB C 4 45.525 45.525 30.763 14.762 25700 17 1 1 . 1 1 4 4 CYS H H 4 8.909 8.909 8.478 0.431 25700 18 1 1 . 1 1 5 5 GLU N N 5 117.764 117.764 120.732 -2.968 25700 19 1 1 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.705 -0.226 25700 20 1 1 . 1 1 5 5 GLU C C 5 174.088 174.088 174.155 -0.067 25700 21 1 1 . 1 1 5 5 GLU CA C 5 54.838 54.838 54.832 0.006 25700 22 1 1 . 1 1 5 5 GLU CB C 5 34.155 34.155 34.108 0.047 25700 23 1 1 . 1 1 5 5 GLU H H 5 8.580 8.580 8.496 0.084 25700 24 1 1 . 1 1 6 6 VAL N N 6 120.471 120.471 116.504 3.967 25700 25 1 1 . 1 1 6 6 VAL HA H 6 4.427 4.427 4.328 0.099 25700 26 1 1 . 1 1 6 6 VAL C C 6 174.211 174.211 174.321 -0.110 25700 27 1 1 . 1 1 6 6 VAL CA C 6 61.540 61.540 60.542 0.998 25700 28 1 1 . 1 1 6 6 VAL CB C 6 32.618 32.618 32.244 0.374 25700 29 1 1 . 1 1 6 6 VAL H H 6 8.588 8.588 8.235 0.353 25700 30 1 1 . 1 1 7 7 GLU N N 7 125.816 125.816 126.054 -0.238 25700 31 1 1 . 1 1 7 7 GLU HA H 7 4.548 4.548 4.797 -0.249 25700 32 1 1 . 1 1 7 7 GLU C C 7 174.194 174.194 175.222 -1.028 25700 33 1 1 . 1 1 7 7 GLU CA C 7 54.524 54.524 53.952 0.572 25700 34 1 1 . 1 1 7 7 GLU CB C 7 33.291 33.291 33.243 0.048 25700 35 1 1 . 1 1 7 7 GLU H H 7 8.820 8.820 8.259 0.561 25700 36 1 1 . 1 1 8 8 ALA N N 8 122.882 122.882 123.084 -0.202 25700 37 1 1 . 1 1 8 8 ALA HA H 8 5.238 5.238 4.700 0.538 25700 38 1 1 . 1 1 8 8 ALA C C 8 175.557 175.557 175.420 0.137 25700 39 1 1 . 1 1 8 8 ALA CA C 8 49.950 49.950 51.045 -1.095 25700 40 1 1 . 1 1 8 8 ALA CB C 8 22.730 22.730 21.433 1.297 25700 41 1 1 . 1 1 8 8 ALA H H 8 8.410 8.410 8.388 0.022 25700 42 1 1 . 1 1 9 9 ALA N N 9 124.110 124.110 127.751 -3.641 25700 43 1 1 . 1 1 9 9 ALA HA H 9 4.691 4.691 4.949 -0.258 25700 44 1 1 . 1 1 9 9 ALA C C 9 176.300 176.300 175.970 0.330 25700 45 1 1 . 1 1 9 9 ALA CA C 9 50.825 50.825 50.253 0.572 25700 46 1 1 . 1 1 9 9 ALA CB C 9 21.240 21.240 20.562 0.678 25700 47 1 1 . 1 1 9 9 ALA H H 9 8.407 8.407 9.204 -0.797 25700 48 1 1 . 1 1 10 10 VAL N N 10 126.780 126.780 125.984 0.796 25700 49 1 1 . 1 1 10 10 VAL HA H 10 4.379 4.379 4.065 0.314 25700 50 1 1 . 1 1 10 10 VAL C C 10 175.717 175.717 175.560 0.157 25700 51 1 1 . 1 1 10 10 VAL CA C 10 61.580 61.580 62.177 -0.597 25700 52 1 1 . 1 1 10 10 VAL CB C 10 32.209 32.209 31.433 0.776 25700 53 1 1 . 1 1 10 10 VAL H H 10 8.860 8.860 9.068 -0.208 25700 54 1 1 . 1 1 11 11 SER N N 11 120.868 120.868 123.739 -2.871 25700 55 1 1 . 1 1 11 11 SER HA H 11 4.448 4.448 4.692 -0.244 25700 56 1 1 . 1 1 11 11 SER C C 11 175.498 175.498 174.622 0.876 25700 57 1 1 . 1 1 11 11 SER CA C 11 57.590 57.590 56.994 0.596 25700 58 1 1 . 1 1 11 11 SER CB C 11 64.000 64.000 65.054 -1.054 25700 59 1 1 . 1 1 11 11 SER H H 11 8.478 8.478 9.054 -0.576 25700 60 1 1 . 1 1 12 12 GLY N N 12 116.896 116.896 107.988 8.908 25700 61 1 1 . 1 1 12 12 GLY C C 12 174.994 174.994 174.712 0.282 25700 62 1 1 . 1 1 12 12 GLY CA C 12 47.515 47.515 46.154 1.361 25700 63 1 1 . 1 1 12 12 GLY H H 12 9.120 9.120 8.574 0.546 25700 64 1 1 . 1 1 13 13 GLY N N 13 108.984 108.984 114.220 -5.236 25700 65 1 1 . 1 1 13 13 GLY C C 13 174.440 174.440 173.441 0.999 25700 66 1 1 . 1 1 13 13 GLY CA C 13 45.383 45.383 44.964 0.419 25700 67 1 1 . 1 1 13 13 GLY H H 13 8.816 8.816 8.482 0.334 25700 68 1 1 . 1 1 14 14 HIS N N 14 118.737 118.737 118.941 -0.204 25700 69 1 1 . 1 1 14 14 HIS HA H 14 5.458 5.458 5.428 0.030 25700 70 1 1 . 1 1 14 14 HIS C C 14 172.243 172.243 173.095 -0.852 25700 71 1 1 . 1 1 14 14 HIS CA C 14 54.905 54.905 55.291 -0.386 25700 72 1 1 . 1 1 14 14 HIS CB C 14 32.311 32.311 33.397 -1.086 25700 73 1 1 . 1 1 14 14 HIS H H 14 8.084 8.084 7.643 0.441 25700 74 1 1 . 1 1 15 15 VAL N N 15 120.204 120.204 125.793 -5.589 25700 75 1 1 . 1 1 15 15 VAL HA H 15 4.932 4.932 4.706 0.226 25700 76 1 1 . 1 1 15 15 VAL C C 15 172.314 172.314 174.361 -2.047 25700 77 1 1 . 1 1 15 15 VAL CA C 15 58.540 58.540 59.394 -0.854 25700 78 1 1 . 1 1 15 15 VAL CB C 15 34.285 34.285 33.741 0.544 25700 79 1 1 . 1 1 15 15 VAL H H 15 9.369 9.369 9.119 0.250 25700 80 1 1 . 1 1 16 16 THR N N 16 123.685 123.685 126.801 -3.116 25700 81 1 1 . 1 1 16 16 THR HA H 16 5.220 5.220 4.784 0.436 25700 82 1 1 . 1 1 16 16 THR C C 16 174.478 174.478 173.190 1.288 25700 83 1 1 . 1 1 16 16 THR CA C 16 61.481 61.481 63.071 -1.590 25700 84 1 1 . 1 1 16 16 THR CB C 16 70.017 70.017 69.124 0.893 25700 85 1 1 . 1 1 16 16 THR H H 16 8.604 8.604 9.291 -0.687 25700 86 1 1 . 1 1 17 17 LEU N N 17 128.958 128.958 129.395 -0.437 25700 87 1 1 . 1 1 17 17 LEU HA H 17 5.407 5.407 4.660 0.747 25700 88 1 1 . 1 1 17 17 LEU C C 17 174.481 174.481 174.190 0.291 25700 89 1 1 . 1 1 17 17 LEU CA C 17 53.999 53.999 54.019 -0.020 25700 90 1 1 . 1 1 17 17 LEU CB C 17 44.108 44.108 44.852 -0.744 25700 91 1 1 . 1 1 17 17 LEU H H 17 9.627 9.627 9.310 0.317 25700 92 1 1 . 1 1 18 18 GLN N N 18 115.227 115.227 120.608 -5.381 25700 93 1 1 . 1 1 18 18 GLN HA H 18 4.465 4.465 4.994 -0.529 25700 94 1 1 . 1 1 18 18 GLN C C 18 174.042 174.042 174.428 -0.386 25700 95 1 1 . 1 1 18 18 GLN CA C 18 53.725 53.725 54.239 -0.514 25700 96 1 1 . 1 1 18 18 GLN CB C 18 31.767 31.767 32.656 -0.889 25700 97 1 1 . 1 1 18 18 GLN H H 18 8.243 8.243 8.509 -0.266 25700 98 1 1 . 1 1 19 19 GLY N N 19 107.795 107.795 108.527 -0.732 25700 99 1 1 . 1 1 19 19 GLY C C 19 172.005 172.005 173.090 -1.085 25700 100 1 1 . 1 1 19 19 GLY CA C 19 44.485 44.485 43.749 0.736 25700 101 1 1 . 1 1 19 19 GLY H H 19 9.100 9.100 8.986 0.114 25700 102 1 1 . 1 1 20 20 VAL N N 20 120.951 120.951 127.285 -6.334 25700 103 1 1 . 1 1 20 20 VAL HA H 20 4.634 4.634 4.031 0.603 25700 104 1 1 . 1 1 20 20 VAL C C 20 175.670 175.670 175.442 0.228 25700 105 1 1 . 1 1 20 20 VAL CA C 20 61.380 61.380 62.694 -1.314 25700 106 1 1 . 1 1 20 20 VAL CB C 20 33.990 33.990 32.186 1.804 25700 107 1 1 . 1 1 20 20 VAL H H 20 8.859 8.859 8.729 0.130 25700 108 1 1 . 1 1 21 21 ILE N N 21 129.511 129.511 130.941 -1.430 25700 109 1 1 . 1 1 21 21 ILE HA H 21 4.443 4.443 4.443 -0.000 25700 110 1 1 . 1 1 21 21 ILE C C 21 174.567 174.567 175.660 -1.093 25700 111 1 1 . 1 1 21 21 ILE CA C 21 59.883 59.883 60.405 -0.522 25700 112 1 1 . 1 1 21 21 ILE CB C 21 41.152 41.152 38.612 2.539 25700 113 1 1 . 1 1 21 21 ILE H H 21 9.304 9.304 9.186 0.118 25700 114 1 1 . 1 1 22 22 THR N N 22 120.311 120.311 125.643 -5.332 25700 115 1 1 . 1 1 22 22 THR HA H 22 4.479 4.479 5.044 -0.565 25700 116 1 1 . 1 1 22 22 THR C C 22 172.996 172.996 173.377 -0.381 25700 117 1 1 . 1 1 22 22 THR CA C 22 61.647 61.647 62.281 -0.633 25700 118 1 1 . 1 1 22 22 THR CB C 22 70.230 70.230 69.643 0.587 25700 119 1 1 . 1 1 22 22 THR H H 22 8.063 8.063 8.403 -0.340 25700 120 1 1 . 1 1 23 23 ALA N N 23 104.959 104.959 129.471 -24.512 25700 121 1 1 . 1 1 23 23 ALA HA H 23 5.056 5.056 4.855 0.201 25700 122 1 1 . 1 1 23 23 ALA C C 23 177.722 177.722 177.077 0.645 25700 123 1 1 . 1 1 23 23 ALA CA C 23 49.963 49.963 50.068 -0.105 25700 124 1 1 . 1 1 23 23 ALA CB C 23 22.915 22.915 21.298 1.617 25700 125 1 1 . 1 1 23 23 ALA H H 23 9.764 9.764 8.547 1.216 25700 126 1 1 . 1 1 24 24 VAL N N 24 113.370 113.370 122.444 -9.074 25700 127 1 1 . 1 1 24 24 VAL HA H 24 4.083 4.083 3.931 0.152 25700 128 1 1 . 1 1 24 24 VAL C C 24 174.539 174.539 175.163 -0.624 25700 129 1 1 . 1 1 24 24 VAL CA C 24 62.339 62.339 64.256 -1.917 25700 130 1 1 . 1 1 24 24 VAL CB C 24 31.933 31.933 31.918 0.015 25700 131 1 1 . 1 1 24 24 VAL H H 24 8.239 8.239 8.246 -0.007 25700 132 1 1 . 1 1 25 25 ARG N N 25 116.002 116.002 117.927 -1.925 25700 133 1 1 . 1 1 25 25 ARG HA H 25 4.740 4.740 4.555 0.185 25700 134 1 1 . 1 1 25 25 ARG C C 25 172.797 172.797 174.944 -2.147 25700 135 1 1 . 1 1 25 25 ARG CA C 25 53.284 53.284 53.993 -0.709 25700 136 1 1 . 1 1 25 25 ARG CB C 25 33.542 33.542 32.816 0.726 25700 137 1 1 . 1 1 25 25 ARG H H 25 7.308 7.308 7.746 -0.438 25700 138 1 1 . 1 1 26 26 ASP N N 26 118.075 118.075 123.013 -4.938 25700 139 1 1 . 1 1 26 26 ASP HA H 26 4.665 4.665 5.142 -0.477 25700 140 1 1 . 1 1 26 26 ASP C C 26 177.721 177.721 175.597 2.124 25700 141 1 1 . 1 1 26 26 ASP CA C 26 53.911 53.911 53.570 0.341 25700 142 1 1 . 1 1 26 26 ASP CB C 26 41.143 41.143 41.444 -0.301 25700 143 1 1 . 1 1 26 26 ASP H H 26 8.301 8.301 8.398 -0.097 25700 144 1 1 . 1 1 27 27 GLY N N 27 106.966 106.966 110.424 -3.458 25700 145 1 1 . 1 1 27 27 GLY C C 27 170.472 170.472 172.093 -1.621 25700 146 1 1 . 1 1 27 27 GLY CA C 27 46.213 46.213 45.708 0.505 25700 147 1 1 . 1 1 27 27 GLY H H 27 8.276 8.276 8.833 -0.557 25700 148 1 1 . 1 1 28 28 ALA N N 28 122.805 122.805 122.494 0.311 25700 149 1 1 . 1 1 28 28 ALA HA H 28 4.898 4.898 5.067 -0.169 25700 150 1 1 . 1 1 28 28 ALA C C 28 176.720 176.720 175.381 1.339 25700 151 1 1 . 1 1 28 28 ALA CA C 28 50.756 50.756 51.197 -0.441 25700 152 1 1 . 1 1 28 28 ALA CB C 28 21.482 21.482 21.336 0.146 25700 153 1 1 . 1 1 28 28 ALA H H 28 8.065 8.065 8.146 -0.081 25700 154 1 1 . 1 1 29 29 GLY N N 29 106.538 106.538 107.570 -1.032 25700 155 1 1 . 1 1 29 29 GLY C C 29 172.866 172.866 170.849 2.017 25700 156 1 1 . 1 1 29 29 GLY CA C 29 45.538 45.538 43.077 2.462 25700 157 1 1 . 1 1 29 29 GLY H H 29 7.654 7.654 8.616 -0.962 25700 158 1 1 . 1 1 30 30 SER N N 30 116.216 116.216 113.206 3.010 25700 159 1 1 . 1 1 30 30 SER HA H 30 5.564 5.564 4.608 0.956 25700 160 1 1 . 1 1 30 30 SER C C 30 172.216 172.216 172.567 -0.351 25700 161 1 1 . 1 1 30 30 SER CA C 30 57.505 57.505 56.707 0.798 25700 162 1 1 . 1 1 30 30 SER CB C 30 66.321 66.321 65.672 0.649 25700 163 1 1 . 1 1 30 30 SER H H 30 9.185 9.185 7.748 1.437 25700 164 1 1 . 1 1 31 31 TYR N N 31 118.467 118.467 116.807 1.660 25700 165 1 1 . 1 1 31 31 TYR HA H 31 6.035 6.035 5.127 0.908 25700 166 1 1 . 1 1 31 31 TYR C C 31 174.138 174.138 173.950 0.188 25700 167 1 1 . 1 1 31 31 TYR CA C 31 55.806 55.806 56.332 -0.526 25700 168 1 1 . 1 1 31 31 TYR CB C 31 43.091 43.091 41.554 1.537 25700 169 1 1 . 1 1 31 31 TYR H H 31 9.215 9.215 8.604 0.611 25700 170 1 1 . 1 1 32 32 LYS N N 32 121.086 121.086 120.380 0.706 25700 171 1 1 . 1 1 32 32 LYS HA H 32 4.772 4.772 4.992 -0.220 25700 172 1 1 . 1 1 32 32 LYS C C 32 173.750 173.750 174.371 -0.621 25700 173 1 1 . 1 1 32 32 LYS CA C 32 56.495 56.495 55.117 1.378 25700 174 1 1 . 1 1 32 32 LYS CB C 32 35.800 35.800 34.452 1.348 25700 175 1 1 . 1 1 32 32 LYS H H 32 8.904 8.904 9.396 -0.492 25700 176 1 1 . 1 1 33 33 LEU N N 33 128.296 128.296 127.173 1.123 25700 177 1 1 . 1 1 33 33 LEU HA H 33 5.329 5.329 5.079 0.250 25700 178 1 1 . 1 1 33 33 LEU C C 33 173.389 173.389 174.274 -0.885 25700 179 1 1 . 1 1 33 33 LEU CA C 33 53.547 53.547 52.931 0.616 25700 180 1 1 . 1 1 33 33 LEU CB C 33 45.460 45.460 44.665 0.795 25700 181 1 1 . 1 1 33 33 LEU H H 33 9.663 9.663 8.887 0.776 25700 182 1 1 . 1 1 34 34 ALA N N 34 129.791 129.791 130.183 -0.392 25700 183 1 1 . 1 1 34 34 ALA HA H 34 5.419 5.419 4.837 0.582 25700 184 1 1 . 1 1 34 34 ALA C C 34 176.313 176.313 174.937 1.376 25700 185 1 1 . 1 1 34 34 ALA CA C 34 50.605 50.605 50.357 0.248 25700 186 1 1 . 1 1 34 34 ALA CB C 34 21.237 21.237 22.723 -1.486 25700 187 1 1 . 1 1 34 34 ALA H H 34 9.044 9.044 9.322 -0.278 25700 188 1 1 . 1 1 35 35 VAL N N 35 124.532 124.532 122.724 1.808 25700 189 1 1 . 1 1 35 35 VAL HA H 35 4.844 4.844 4.678 0.166 25700 190 1 1 . 1 1 35 35 VAL C C 35 173.511 173.511 174.378 -0.867 25700 191 1 1 . 1 1 35 35 VAL CA C 35 61.113 61.113 61.367 -0.254 25700 192 1 1 . 1 1 35 35 VAL CB C 35 35.152 35.152 35.202 -0.050 25700 193 1 1 . 1 1 35 35 VAL H H 35 9.332 9.332 8.275 1.057 25700 194 1 1 . 1 1 36 36 ASP N N 36 127.077 127.077 126.030 1.047 25700 195 1 1 . 1 1 36 36 ASP HA H 36 5.560 5.560 5.284 0.276 25700 196 1 1 . 1 1 36 36 ASP C C 36 174.146 174.146 174.327 -0.181 25700 197 1 1 . 1 1 36 36 ASP CA C 36 53.219 53.219 53.113 0.106 25700 198 1 1 . 1 1 36 36 ASP CB C 36 44.387 44.387 43.730 0.657 25700 199 1 1 . 1 1 36 36 ASP H H 36 9.169 9.169 9.286 -0.117 25700 200 1 1 . 1 1 37 37 LYS N N 37 122.568 122.568 127.653 -5.085 25700 201 1 1 . 1 1 37 37 LYS HA H 37 4.673 4.673 5.454 -0.781 25700 202 1 1 . 1 1 37 37 LYS C C 37 173.710 173.710 174.081 -0.371 25700 203 1 1 . 1 1 37 37 LYS CA C 37 54.410 54.410 54.774 -0.364 25700 204 1 1 . 1 1 37 37 LYS CB C 37 34.907 34.907 35.312 -0.405 25700 205 1 1 . 1 1 37 37 LYS H H 37 8.665 8.665 8.876 -0.211 25700 206 1 1 . 1 1 38 38 ALA N N 38 130.221 130.221 129.941 0.280 25700 207 1 1 . 1 1 38 38 ALA HA H 38 4.983 4.983 5.382 -0.399 25700 208 1 1 . 1 1 38 38 ALA C C 38 176.141 176.141 175.379 0.762 25700 209 1 1 . 1 1 38 38 ALA CA C 38 51.093 51.093 50.507 0.586 25700 210 1 1 . 1 1 38 38 ALA CB C 38 21.778 21.778 21.703 0.076 25700 211 1 1 . 1 1 38 38 ALA H H 38 8.798 8.798 9.162 -0.364 25700 212 1 1 . 1 1 39 39 GLY N N 39 109.328 109.328 110.186 -0.858 25700 213 1 1 . 1 1 39 39 GLY C C 39 174.208 174.208 174.381 -0.173 25700 214 1 1 . 1 1 39 39 GLY CA C 39 44.645 44.645 44.448 0.197 25700 215 1 1 . 1 1 39 39 GLY H H 39 7.851 7.851 8.713 -0.862 25700 216 1 1 . 1 1 40 40 ALA N N 40 125.088 125.088 122.102 2.986 25700 217 1 1 . 1 1 40 40 ALA HA H 40 4.051 4.051 4.153 -0.102 25700 218 1 1 . 1 1 40 40 ALA C C 40 178.917 178.917 178.766 0.151 25700 219 1 1 . 1 1 40 40 ALA CA C 40 54.841 54.841 54.218 0.623 25700 220 1 1 . 1 1 40 40 ALA CB C 40 18.293 18.293 18.669 -0.376 25700 221 1 1 . 1 1 40 40 ALA H H 40 8.766 8.766 8.630 0.136 25700 222 1 1 . 1 1 41 41 ALA N N 41 117.569 117.569 119.841 -2.272 25700 223 1 1 . 1 1 41 41 ALA HA H 41 4.419 4.419 4.453 -0.034 25700 224 1 1 . 1 1 41 41 ALA C C 41 177.136 177.136 177.910 -0.774 25700 225 1 1 . 1 1 41 41 ALA CA C 41 51.929 51.929 51.590 0.339 25700 226 1 1 . 1 1 41 41 ALA CB C 41 18.774 18.774 19.166 -0.392 25700 227 1 1 . 1 1 41 41 ALA H H 41 8.300 8.300 8.052 0.248 25700 228 1 1 . 1 1 42 42 GLY N N 42 106.796 106.796 106.417 0.379 25700 229 1 1 . 1 1 42 42 GLY C C 42 173.379 173.379 171.955 1.424 25700 230 1 1 . 1 1 42 42 GLY CA C 42 44.336 44.336 44.414 -0.078 25700 231 1 1 . 1 1 42 42 GLY H H 42 7.577 7.577 7.545 0.032 25700 232 1 1 . 1 1 43 43 THR N N 43 116.541 116.541 112.681 3.860 25700 233 1 1 . 1 1 43 43 THR HA H 43 5.263 5.263 5.336 -0.073 25700 234 1 1 . 1 1 43 43 THR C C 43 174.244 174.244 174.165 0.079 25700 235 1 1 . 1 1 43 43 THR CA C 43 61.137 61.137 60.396 0.741 25700 236 1 1 . 1 1 43 43 THR CB C 43 70.759 70.759 70.376 0.383 25700 237 1 1 . 1 1 43 43 THR H H 43 8.526 8.526 8.210 0.316 25700 238 1 1 . 1 1 44 44 SER N N 44 120.903 120.903 122.262 -1.359 25700 239 1 1 . 1 1 44 44 SER HA H 44 4.759 4.759 4.741 0.018 25700 240 1 1 . 1 1 44 44 SER C C 44 172.241 172.241 173.617 -1.376 25700 241 1 1 . 1 1 44 44 SER CA C 44 57.340 57.340 57.521 -0.181 25700 242 1 1 . 1 1 44 44 SER CB C 44 65.568 65.568 65.145 0.423 25700 243 1 1 . 1 1 44 44 SER H H 44 8.904 8.904 9.301 -0.397 25700 244 1 1 . 1 1 45 45 ARG N N 45 124.546 124.546 124.063 0.483 25700 245 1 1 . 1 1 45 45 ARG HA H 45 5.489 5.489 4.689 0.800 25700 246 1 1 . 1 1 45 45 ARG C C 45 175.520 175.520 175.665 -0.145 25700 247 1 1 . 1 1 45 45 ARG CA C 45 55.101 55.101 54.584 0.517 25700 248 1 1 . 1 1 45 45 ARG CB C 45 32.760 32.760 30.380 2.380 25700 249 1 1 . 1 1 45 45 ARG H H 45 8.579 8.579 8.582 -0.003 25700 250 1 1 . 1 1 46 46 ILE N N 46 127.920 127.920 127.254 0.666 25700 251 1 1 . 1 1 46 46 ILE HA H 46 4.460 4.460 4.211 0.249 25700 252 1 1 . 1 1 46 46 ILE C C 46 174.450 174.450 175.139 -0.689 25700 253 1 1 . 1 1 46 46 ILE CA C 46 60.220 60.220 60.330 -0.109 25700 254 1 1 . 1 1 46 46 ILE CB C 46 41.290 41.290 39.538 1.752 25700 255 1 1 . 1 1 46 46 ILE H H 46 9.344 9.344 9.234 0.110 25700 256 1 1 . 1 1 47 47 LYS N N 47 126.061 126.061 127.256 -1.195 25700 257 1 1 . 1 1 47 47 LYS HA H 47 5.514 5.514 4.601 0.913 25700 258 1 1 . 1 1 47 47 LYS C C 47 175.790 175.790 174.932 0.858 25700 259 1 1 . 1 1 47 47 LYS CA C 47 54.870 54.870 55.376 -0.506 25700 260 1 1 . 1 1 47 47 LYS CB C 47 35.386 35.386 34.651 0.735 25700 261 1 1 . 1 1 47 47 LYS H H 47 8.734 8.734 8.583 0.151 25700 262 1 1 . 1 1 48 48 GLN N N 48 122.633 122.633 124.990 -2.357 25700 263 1 1 . 1 1 48 48 GLN HA H 48 4.669 4.669 4.615 0.054 25700 264 1 1 . 1 1 48 48 GLN C C 48 173.659 173.659 173.630 0.029 25700 265 1 1 . 1 1 48 48 GLN CA C 48 54.895 54.895 55.160 -0.265 25700 266 1 1 . 1 1 48 48 GLN CB C 48 33.072 33.072 32.867 0.205 25700 267 1 1 . 1 1 48 48 GLN H H 48 9.228 9.228 8.957 0.271 25700 268 1 1 . 1 1 49 49 ALA N N 49 125.634 125.634 126.009 -0.375 25700 269 1 1 . 1 1 49 49 ALA HA H 49 4.544 4.544 5.184 -0.639 25700 270 1 1 . 1 1 49 49 ALA C C 49 175.881 175.881 176.236 -0.355 25700 271 1 1 . 1 1 49 49 ALA CA C 49 50.993 50.993 51.208 -0.215 25700 272 1 1 . 1 1 49 49 ALA CB C 49 22.620 22.620 21.257 1.363 25700 273 1 1 . 1 1 49 49 ALA H H 49 8.557 8.557 8.478 0.079 25700 274 1 1 . 1 1 50 50 GLY N N 50 105.483 105.483 109.513 -4.030 25700 275 1 1 . 1 1 50 50 GLY C C 50 170.217 170.217 171.641 -1.424 25700 276 1 1 . 1 1 50 50 GLY CA C 50 45.670 45.670 46.190 -0.520 25700 277 1 1 . 1 1 50 50 GLY H H 50 6.865 6.865 8.478 -1.613 25700 278 1 1 . 1 1 51 51 ALA N N 51 122.908 122.908 121.699 1.209 25700 279 1 1 . 1 1 51 51 ALA HA H 51 5.265 5.265 4.773 0.492 25700 280 1 1 . 1 1 51 51 ALA C C 51 176.793 176.793 175.160 1.633 25700 281 1 1 . 1 1 51 51 ALA CA C 51 50.736 50.736 50.795 -0.059 25700 282 1 1 . 1 1 51 51 ALA CB C 51 21.840 21.840 21.694 0.146 25700 283 1 1 . 1 1 51 51 ALA H H 51 8.522 8.522 8.104 0.418 25700 284 1 1 . 1 1 52 52 PHE N N 52 115.156 115.156 119.934 -4.778 25700 285 1 1 . 1 1 52 52 PHE HA H 52 5.106 5.106 4.847 0.259 25700 286 1 1 . 1 1 52 52 PHE C C 52 172.832 172.832 173.909 -1.077 25700 287 1 1 . 1 1 52 52 PHE CA C 52 56.890 56.890 57.431 -0.541 25700 288 1 1 . 1 1 52 52 PHE CB C 52 42.428 42.428 43.106 -0.678 25700 289 1 1 . 1 1 52 52 PHE H H 52 8.191 8.191 8.697 -0.506 25700 290 1 1 . 1 1 53 53 THR N N 53 116.180 116.180 114.682 1.498 25700 291 1 1 . 1 1 53 53 THR HA H 53 4.631 4.631 4.451 0.180 25700 292 1 1 . 1 1 53 53 THR C C 53 172.769 172.769 172.870 -0.101 25700 293 1 1 . 1 1 53 53 THR CA C 53 61.610 61.610 60.910 0.700 25700 294 1 1 . 1 1 53 53 THR CB C 53 70.736 70.736 69.114 1.622 25700 295 1 1 . 1 1 53 53 THR H H 53 8.650 8.650 6.800 1.850 25700 296 1 1 . 1 1 54 54 ALA N N 54 127.969 127.969 128.253 -0.284 25700 297 1 1 . 1 1 54 54 ALA HA H 54 4.748 4.748 4.770 -0.022 25700 298 1 1 . 1 1 54 54 ALA C C 54 176.369 176.369 175.151 1.218 25700 299 1 1 . 1 1 54 54 ALA CA C 54 51.397 51.397 50.438 0.959 25700 300 1 1 . 1 1 54 54 ALA CB C 54 22.010 22.010 22.415 -0.405 25700 301 1 1 . 1 1 54 54 ALA H H 54 9.353 9.353 8.635 0.718 25700 302 1 1 . 1 1 55 55 ILE N N 55 123.326 123.326 121.378 1.948 25700 303 1 1 . 1 1 55 55 ILE HA H 55 4.391 4.391 4.300 0.091 25700 304 1 1 . 1 1 55 55 ILE C C 55 176.079 176.079 175.606 0.473 25700 305 1 1 . 1 1 55 55 ILE CA C 55 59.138 59.138 59.775 -0.637 25700 306 1 1 . 1 1 55 55 ILE CB C 55 39.451 39.451 40.594 -1.143 25700 307 1 1 . 1 1 55 55 ILE H H 55 7.856 7.856 8.677 -0.821 25700 308 1 1 . 1 1 56 56 ALA N N 56 130.280 130.280 128.375 1.905 25700 309 1 1 . 1 1 56 56 ALA HA H 56 3.493 3.493 4.360 -0.867 25700 310 1 1 . 1 1 56 56 ALA C C 56 177.405 177.405 177.666 -0.261 25700 311 1 1 . 1 1 56 56 ALA CA C 56 54.156 54.156 52.456 1.700 25700 312 1 1 . 1 1 56 56 ALA CB C 56 18.871 18.871 18.698 0.173 25700 313 1 1 . 1 1 56 56 ALA H H 56 9.104 9.104 8.480 0.624 25700 314 1 1 . 1 1 57 57 GLU N N 57 113.081 113.081 118.991 -5.910 25700 315 1 1 . 1 1 57 57 GLU HA H 57 3.614 3.614 3.777 -0.163 25700 316 1 1 . 1 1 57 57 GLU C C 57 174.959 174.959 175.350 -0.391 25700 317 1 1 . 1 1 57 57 GLU CA C 57 58.080 58.080 57.558 0.522 25700 318 1 1 . 1 1 57 57 GLU CB C 57 27.141 27.141 28.148 -1.007 25700 319 1 1 . 1 1 57 57 GLU H H 57 9.007 9.007 8.934 0.073 25700 320 1 1 . 1 1 58 58 GLN N N 58 119.796 119.796 117.637 2.159 25700 321 1 1 . 1 1 58 58 GLN HA H 58 4.519 4.519 4.663 -0.144 25700 322 1 1 . 1 1 58 58 GLN C C 58 175.217 175.217 174.982 0.235 25700 323 1 1 . 1 1 58 58 GLN CA C 58 54.379 54.379 53.742 0.637 25700 324 1 1 . 1 1 58 58 GLN CB C 58 30.102 30.102 31.458 -1.356 25700 325 1 1 . 1 1 58 58 GLN H H 58 8.061 8.061 7.747 0.314 25700 326 1 1 . 1 1 59 59 ARG N N 59 124.810 124.810 123.342 1.468 25700 327 1 1 . 1 1 59 59 ARG HA H 59 4.286 4.286 4.438 -0.152 25700 328 1 1 . 1 1 59 59 ARG C C 59 176.396 176.396 175.794 0.602 25700 329 1 1 . 1 1 59 59 ARG CA C 59 56.810 56.810 55.498 1.312 25700 330 1 1 . 1 1 59 59 ARG CB C 59 30.906 30.906 30.539 0.367 25700 331 1 1 . 1 1 59 59 ARG H H 59 8.486 8.486 8.562 -0.076 25700 332 1 1 . 1 1 60 60 VAL N N 60 127.238 127.238 129.021 -1.783 25700 333 1 1 . 1 1 60 60 VAL HA H 60 4.319 4.319 4.361 -0.042 25700 334 1 1 . 1 1 60 60 VAL C C 60 174.543 174.543 174.795 -0.252 25700 335 1 1 . 1 1 60 60 VAL CA C 60 61.227 61.227 60.918 0.309 25700 336 1 1 . 1 1 60 60 VAL CB C 60 34.177 34.177 33.568 0.609 25700 337 1 1 . 1 1 60 60 VAL H H 60 9.033 9.033 9.108 -0.075 25700 338 1 1 . 1 1 61 61 THR N N 61 120.913 120.913 124.442 -3.529 25700 339 1 1 . 1 1 61 61 THR HA H 61 5.096 5.096 4.634 0.462 25700 340 1 1 . 1 1 61 61 THR C C 61 174.645 174.645 173.706 0.939 25700 341 1 1 . 1 1 61 61 THR CA C 61 60.686 60.686 62.589 -1.903 25700 342 1 1 . 1 1 61 61 THR CB C 61 69.710 69.710 69.459 0.251 25700 343 1 1 . 1 1 61 61 THR H H 61 8.340 8.340 8.649 -0.309 25700 344 1 1 . 1 1 62 62 VAL N N 62 117.650 117.650 126.034 -8.384 25700 345 1 1 . 1 1 62 62 VAL HA H 62 4.294 4.294 4.127 0.167 25700 346 1 1 . 1 1 62 62 VAL C C 62 174.530 174.530 175.448 -0.918 25700 347 1 1 . 1 1 62 62 VAL CA C 62 58.641 58.641 60.725 -2.084 25700 348 1 1 . 1 1 62 62 VAL CB C 62 34.263 34.263 35.014 -0.751 25700 349 1 1 . 1 1 62 62 VAL H H 62 8.658 8.658 8.890 -0.232 25700 350 1 1 . 1 1 63 63 GLY N N 63 107.924 107.924 114.522 -6.598 25700 351 1 1 . 1 1 63 63 GLY C C 63 172.475 172.475 173.267 -0.792 25700 352 1 1 . 1 1 63 63 GLY CA C 63 43.668 43.668 44.850 -1.182 25700 353 1 1 . 1 1 63 63 GLY H H 63 7.857 7.857 8.560 -0.703 25700 354 1 1 . 1 1 64 64 ASN N N 64 116.073 116.073 118.248 -2.175 25700 355 1 1 . 1 1 64 64 ASN HA H 64 4.530 4.530 4.888 -0.358 25700 356 1 1 . 1 1 64 64 ASN C C 64 173.307 173.307 174.729 -1.422 25700 357 1 1 . 1 1 64 64 ASN CA C 64 55.380 55.380 52.396 2.984 25700 358 1 1 . 1 1 64 64 ASN CB C 64 39.159 39.159 38.721 0.438 25700 359 1 1 . 1 1 64 64 ASN H H 64 8.933 8.933 8.026 0.907 25700 360 1 1 . 1 1 65 65 VAL N N 65 126.612 126.612 118.783 7.829 25700 361 1 1 . 1 1 65 65 VAL HA H 65 4.238 4.238 4.468 -0.230 25700 362 1 1 . 1 1 65 65 VAL C C 65 173.538 173.538 174.368 -0.830 25700 363 1 1 . 1 1 65 65 VAL CA C 65 61.970 61.970 60.335 1.635 25700 364 1 1 . 1 1 65 65 VAL CB C 65 33.829 33.829 35.429 -1.600 25700 365 1 1 . 1 1 65 65 VAL H H 65 8.548 8.548 8.778 -0.230 25700 366 1 1 . 1 1 66 66 VAL N N 66 127.886 127.886 126.148 1.738 25700 367 1 1 . 1 1 66 66 VAL HA H 66 4.990 4.990 4.542 0.448 25700 368 1 1 . 1 1 66 66 VAL C C 66 175.271 175.271 175.729 -0.458 25700 369 1 1 . 1 1 66 66 VAL CA C 66 61.360 61.360 60.789 0.571 25700 370 1 1 . 1 1 66 66 VAL CB C 66 32.923 32.923 32.407 0.515 25700 371 1 1 . 1 1 66 66 VAL H H 66 8.364 8.364 8.247 0.117 25700 372 1 1 . 1 1 67 67 LEU N N 67 126.454 126.454 128.037 -1.583 25700 373 1 1 . 1 1 67 67 LEU HA H 67 4.955 4.955 4.732 0.223 25700 374 1 1 . 1 1 67 67 LEU C C 67 176.547 176.547 176.159 0.388 25700 375 1 1 . 1 1 67 67 LEU CA C 67 52.492 52.492 52.482 0.010 25700 376 1 1 . 1 1 67 67 LEU CB C 67 46.685 46.685 43.332 3.353 25700 377 1 1 . 1 1 67 67 LEU H H 67 9.050 9.050 9.175 -0.125 25700 378 1 1 . 1 1 68 68 ASP N N 68 119.799 119.799 119.236 0.563 25700 379 1 1 . 1 1 68 68 ASP HA H 68 4.609 4.609 4.417 0.192 25700 380 1 1 . 1 1 68 68 ASP C C 68 176.247 176.247 175.767 0.480 25700 381 1 1 . 1 1 68 68 ASP CA C 68 55.492 55.492 53.491 2.001 25700 382 1 1 . 1 1 68 68 ASP CB C 68 40.566 40.566 40.980 -0.414 25700 383 1 1 . 1 1 68 68 ASP H H 68 8.722 8.722 8.541 0.181 25700 384 1 1 . 1 1 69 69 TYR N N 69 123.398 123.398 126.336 -2.938 25700 385 1 1 . 1 1 69 69 TYR HA H 69 4.651 4.651 4.429 0.222 25700 386 1 1 . 1 1 69 69 TYR C C 69 174.253 174.253 173.885 0.368 25700 387 1 1 . 1 1 69 69 TYR CA C 69 57.767 57.767 58.779 -1.012 25700 388 1 1 . 1 1 69 69 TYR CB C 69 40.067 40.067 38.817 1.250 25700 389 1 1 . 1 1 69 69 TYR H H 69 8.603 8.603 8.185 0.418 25700 390 1 1 . 1 1 70 70 SER N N 70 121.308 121.308 122.435 -1.127 25700 391 1 1 . 1 1 70 70 SER HA H 70 4.059 4.059 4.070 -0.011 25700 392 1 1 . 1 1 70 70 SER C C 70 174.851 174.851 174.063 0.788 25700 393 1 1 . 1 1 70 70 SER CA C 70 56.341 56.341 56.299 0.042 25700 394 1 1 . 1 1 70 70 SER CB C 70 64.634 64.634 65.338 -0.704 25700 395 1 1 . 1 1 70 70 SER H H 70 6.749 6.749 8.166 -1.417 25700 396 1 1 . 1 1 71 71 SER N N 71 122.764 122.764 119.129 3.635 25700 397 1 1 . 1 1 71 71 SER HA H 71 4.221 4.221 4.297 -0.076 25700 398 1 1 . 1 1 71 71 SER C C 71 174.098 174.098 175.575 -1.477 25700 399 1 1 . 1 1 71 71 SER CA C 71 60.326 60.326 60.533 -0.207 25700 400 1 1 . 1 1 71 71 SER CB C 71 62.814 62.814 63.039 -0.225 25700 401 1 1 . 1 1 71 71 SER H H 71 8.907 8.907 8.391 0.516 25700 402 1 1 . 1 1 72 72 ALA N N 72 122.199 122.199 121.198 1.001 25700 403 1 1 . 1 1 72 72 ALA HA H 72 4.320 4.320 4.438 -0.118 25700 404 1 1 . 1 1 72 72 ALA C C 72 177.749 177.749 176.946 0.803 25700 405 1 1 . 1 1 72 72 ALA CA C 72 52.283 52.283 51.769 0.514 25700 406 1 1 . 1 1 72 72 ALA CB C 72 18.950 18.950 18.691 0.259 25700 407 1 1 . 1 1 72 72 ALA H H 72 7.869 7.869 8.033 -0.164 25700 408 1 1 . 1 1 73 73 ASN N N 73 116.297 116.297 116.429 -0.132 25700 409 1 1 . 1 1 73 73 ASN HA H 73 5.076 5.076 4.537 0.539 25700 410 1 1 . 1 1 73 73 ASN C C 73 173.794 173.794 174.657 -0.863 25700 411 1 1 . 1 1 73 73 ASN CA C 73 51.612 51.612 52.769 -1.157 25700 412 1 1 . 1 1 73 73 ASN CB C 73 40.647 40.647 39.131 1.516 25700 413 1 1 . 1 1 73 73 ASN H H 73 7.265 7.265 7.446 -0.181 25700 414 1 1 . 1 1 74 74 ARG N N 74 118.937 118.937 122.770 -3.833 25700 415 1 1 . 1 1 74 74 ARG HA H 74 4.684 4.684 4.375 0.309 25700 416 1 1 . 1 1 74 74 ARG C C 74 174.943 174.943 174.179 0.764 25700 417 1 1 . 1 1 74 74 ARG CA C 74 54.523 54.523 54.375 0.148 25700 418 1 1 . 1 1 74 74 ARG CB C 74 32.331 32.331 29.359 2.972 25700 419 1 1 . 1 1 74 74 ARG H H 74 8.529 8.529 8.213 0.316 25700 420 1 1 . 1 1 75 75 TYR N N 75 122.282 122.282 124.622 -2.340 25700 421 1 1 . 1 1 75 75 TYR HA H 75 5.159 5.159 5.289 -0.130 25700 422 1 1 . 1 1 75 75 TYR C C 75 173.593 173.593 174.340 -0.747 25700 423 1 1 . 1 1 75 75 TYR CA C 75 57.080 57.080 56.480 0.600 25700 424 1 1 . 1 1 75 75 TYR CB C 75 41.202 41.202 40.047 1.155 25700 425 1 1 . 1 1 75 75 TYR H H 75 8.691 8.691 8.195 0.496 25700 426 1 1 . 1 1 76 76 ALA N N 76 122.606 122.606 125.274 -2.668 25700 427 1 1 . 1 1 76 76 ALA HA H 76 4.788 4.788 4.888 -0.100 25700 428 1 1 . 1 1 76 76 ALA C C 76 175.765 175.765 174.792 0.973 25700 429 1 1 . 1 1 76 76 ALA CA C 76 50.543 50.543 49.926 0.617 25700 430 1 1 . 1 1 76 76 ALA CB C 76 23.070 23.070 22.987 0.083 25700 431 1 1 . 1 1 76 76 ALA H H 76 8.688 8.688 9.260 -0.572 25700 432 1 1 . 1 1 77 77 ALA N N 77 119.325 119.325 120.680 -1.355 25700 433 1 1 . 1 1 77 77 ALA HA H 77 5.488 5.488 5.454 0.034 25700 434 1 1 . 1 1 77 77 ALA C C 77 174.473 174.473 175.631 -1.158 25700 435 1 1 . 1 1 77 77 ALA CA C 77 51.813 51.813 51.020 0.792 25700 436 1 1 . 1 1 77 77 ALA CB C 77 24.137 24.137 22.880 1.257 25700 437 1 1 . 1 1 77 77 ALA H H 77 8.584 8.584 8.177 0.407 25700 438 1 1 . 1 1 78 78 ARG N N 78 122.822 122.822 118.674 4.148 25700 439 1 1 . 1 1 78 78 ARG HA H 78 4.938 4.938 5.471 -0.533 25700 440 1 1 . 1 1 78 78 ARG C C 78 173.170 173.170 173.679 -0.509 25700 441 1 1 . 1 1 78 78 ARG CA C 78 54.890 54.890 54.732 0.158 25700 442 1 1 . 1 1 78 78 ARG CB C 78 34.467 34.467 32.441 2.026 25700 443 1 1 . 1 1 78 78 ARG H H 78 8.807 8.807 9.191 -0.384 25700 444 1 1 . 1 1 79 79 LEU N N 79 130.548 130.548 126.739 3.809 25700 445 1 1 . 1 1 79 79 LEU HA H 79 5.440 5.440 5.323 0.117 25700 446 1 1 . 1 1 79 79 LEU C C 79 173.434 173.434 174.611 -1.177 25700 447 1 1 . 1 1 79 79 LEU CA C 79 53.186 53.186 53.372 -0.186 25700 448 1 1 . 1 1 79 79 LEU CB C 79 45.369 45.369 45.473 -0.104 25700 449 1 1 . 1 1 79 79 LEU H H 79 9.055 9.055 8.820 0.234 25700 450 1 1 . 1 1 80 80 ASP N N 80 125.928 125.928 127.558 -1.630 25700 451 1 1 . 1 1 80 80 ASP HA H 80 5.480 5.480 5.402 0.078 25700 452 1 1 . 1 1 80 80 ASP C C 80 175.805 175.805 175.000 0.805 25700 453 1 1 . 1 1 80 80 ASP CA C 80 53.794 53.794 52.768 1.026 25700 454 1 1 . 1 1 80 80 ASP CB C 80 44.119 44.119 43.466 0.653 25700 455 1 1 . 1 1 80 80 ASP H H 80 9.251 9.251 9.099 0.152 25700 456 1 1 . 1 1 81 81 VAL N N 81 123.295 123.295 127.491 -4.196 25700 457 1 1 . 1 1 81 81 VAL HA H 81 4.843 4.843 4.447 0.396 25700 458 1 1 . 1 1 81 81 VAL C C 81 174.136 174.136 174.526 -0.390 25700 459 1 1 . 1 1 81 81 VAL CA C 81 61.438 61.438 61.680 -0.242 25700 460 1 1 . 1 1 81 81 VAL CB C 81 35.299 35.299 32.655 2.644 25700 461 1 1 . 1 1 81 81 VAL H H 81 8.947 8.947 8.862 0.085 25700 462 1 1 . 1 1 82 82 SER N N 82 122.698 122.698 123.254 -0.556 25700 463 1 1 . 1 1 82 82 SER HA H 82 5.380 5.380 5.371 0.009 25700 464 1 1 . 1 1 82 82 SER C C 82 173.016 173.016 173.528 -0.512 25700 465 1 1 . 1 1 82 82 SER CA C 82 57.195 57.195 56.940 0.255 25700 466 1 1 . 1 1 82 82 SER CB C 82 64.477 64.477 64.296 0.180 25700 467 1 1 . 1 1 82 82 SER H H 82 9.026 9.026 8.783 0.243 25700 468 1 1 . 1 1 83 83 PHE N N 83 127.305 127.305 126.859 0.446 25700 469 1 1 . 1 1 83 83 PHE HA H 83 4.781 4.781 4.820 -0.039 25700 470 1 1 . 1 1 83 83 PHE C C 83 174.741 174.741 175.047 -0.306 25700 471 1 1 . 1 1 83 83 PHE CA C 83 57.376 57.376 57.983 -0.608 25700 472 1 1 . 1 1 83 83 PHE CB C 83 42.094 42.094 40.660 1.435 25700 473 1 1 . 1 1 83 83 PHE H H 83 9.012 9.012 8.857 0.155 25700 474 1 1 . 1 1 84 84 GLY N N 84 117.337 117.337 116.456 0.881 25700 475 1 1 . 1 1 84 84 GLY C C 84 175.295 175.295 175.133 0.162 25700 476 1 1 . 1 1 84 84 GLY CA C 84 47.086 47.086 46.366 0.720 25700 477 1 1 . 1 1 84 84 GLY H H 84 8.784 8.784 8.430 0.354 25700 478 1 1 . 1 1 85 85 SER N N 85 120.553 120.553 119.830 0.723 25700 479 1 1 . 1 1 85 85 SER HA H 85 4.383 4.383 4.452 -0.069 25700 480 1 1 . 1 1 85 85 SER C C 85 173.796 173.796 174.588 -0.792 25700 481 1 1 . 1 1 85 85 SER CA C 85 59.095 59.095 58.348 0.747 25700 482 1 1 . 1 1 85 85 SER CB C 85 63.360 63.360 64.274 -0.914 25700 483 1 1 . 1 1 85 85 SER H H 85 8.687 8.687 8.458 0.229 25700 484 1 1 . 1 1 86 86 VAL N N 86 121.297 121.297 122.870 -1.573 25700 485 1 1 . 1 1 86 86 VAL HA H 86 4.504 4.504 4.239 0.265 25700 486 1 1 . 1 1 86 86 VAL C C 86 174.888 174.888 174.194 0.694 25700 487 1 1 . 1 1 86 86 VAL CA C 86 61.610 61.610 61.454 0.156 25700 488 1 1 . 1 1 86 86 VAL CB C 86 34.210 34.210 33.956 0.254 25700 489 1 1 . 1 1 86 86 VAL H H 86 7.963 7.963 7.386 0.577 25700 490 1 1 . 1 1 87 87 THR N N 87 119.631 119.631 124.583 -4.952 25700 491 1 1 . 1 1 87 87 THR HA H 87 5.551 5.551 5.442 0.109 25700 492 1 1 . 1 1 87 87 THR C C 87 174.271 174.271 173.421 0.850 25700 493 1 1 . 1 1 87 87 THR CA C 87 60.550 60.550 61.947 -1.397 25700 494 1 1 . 1 1 87 87 THR CB C 87 71.350 71.350 69.680 1.670 25700 495 1 1 . 1 1 87 87 THR H H 87 8.302 8.302 8.421 -0.119 25700 496 1 1 . 1 1 88 88 ILE N N 88 118.811 118.811 123.079 -4.268 25700 497 1 1 . 1 1 88 88 ILE HA H 88 4.858 4.858 4.814 0.044 25700 498 1 1 . 1 1 88 88 ILE C C 88 174.300 174.300 172.936 1.364 25700 499 1 1 . 1 1 88 88 ILE CA C 88 59.380 59.380 59.380 0.000 25700 500 1 1 . 1 1 88 88 ILE CB C 88 43.170 43.170 41.429 1.741 25700 501 1 1 . 1 1 88 88 ILE H H 88 8.986 8.986 8.807 0.179 25700 502 1 1 . 1 1 89 89 GLN N N 89 120.806 120.806 118.786 2.020 25700 503 1 1 . 1 1 89 89 GLN HA H 89 5.814 5.814 5.708 0.106 25700 504 1 1 . 1 1 89 89 GLN C C 89 175.021 175.021 174.664 0.357 25700 505 1 1 . 1 1 89 89 GLN CA C 89 54.171 54.171 54.252 -0.081 25700 506 1 1 . 1 1 89 89 GLN CB C 89 34.262 34.262 32.348 1.914 25700 507 1 1 . 1 1 89 89 GLN H H 89 8.481 8.481 8.443 0.038 25700 508 1 1 . 1 1 90 90 CYS N N 90 118.531 118.531 116.706 1.825 25700 509 1 1 . 1 1 90 90 CYS HA H 90 5.010 5.010 4.982 0.028 25700 510 1 1 . 1 1 90 90 CYS C C 90 172.402 172.402 173.047 -0.645 25700 511 1 1 . 1 1 90 90 CYS CA C 90 54.874 54.874 56.299 -1.425 25700 512 1 1 . 1 1 90 90 CYS CB C 90 50.267 50.267 31.590 18.677 25700 513 1 1 . 1 1 90 90 CYS H H 90 9.151 9.151 8.882 0.269 25700 514 1 1 . 1 1 91 91 ASN N N 91 116.449 116.449 119.640 -3.191 25700 515 1 1 . 1 1 91 91 ASN HA H 91 5.615 5.615 5.451 0.164 25700 516 1 1 . 1 1 91 91 ASN C C 91 174.994 174.994 173.778 1.216 25700 517 1 1 . 1 1 91 91 ASN CA C 91 52.484 52.484 52.646 -0.162 25700 518 1 1 . 1 1 91 91 ASN CB C 91 43.331 43.331 41.993 1.337 25700 519 1 1 . 1 1 91 91 ASN H H 91 8.791 8.791 8.322 0.469 25700 520 1 1 . 1 1 92 92 LEU N N 92 123.391 123.391 125.331 -1.940 25700 521 1 1 . 1 1 92 92 LEU HA H 92 4.286 4.286 4.483 -0.197 25700 522 1 1 . 1 1 92 92 LEU C C 92 176.188 176.188 176.203 -0.015 25700 523 1 1 . 1 1 92 92 LEU CA C 92 54.863 54.863 55.145 -0.282 25700 524 1 1 . 1 1 92 92 LEU CB C 92 45.064 45.064 43.325 1.740 25700 525 1 1 . 1 1 92 92 LEU H H 92 8.597 8.597 8.691 -0.094 25700 526 1 1 . 1 1 93 93 ASP N N 93 129.020 129.020 127.074 1.946 25700 527 1 1 . 1 1 93 93 ASP HA H 93 5.160 5.160 4.906 0.254 25700 528 1 1 . 1 1 93 93 ASP C C 93 175.761 175.761 175.913 -0.152 25700 529 1 1 . 1 1 93 93 ASP CA C 93 50.948 50.948 51.005 -0.057 25700 530 1 1 . 1 1 93 93 ASP CB C 93 41.136 41.136 41.952 -0.815 25700 531 1 1 . 1 1 93 93 ASP H H 93 9.146 9.146 8.659 0.487 25700 532 1 1 . 1 1 94 94 PRO HA H 94 4.304 4.304 4.719 -0.415 25700 533 1 1 . 1 1 94 94 PRO C C 94 178.637 178.637 177.938 0.699 25700 534 1 1 . 1 1 94 94 PRO CA C 94 64.830 64.830 64.670 0.160 25700 535 1 1 . 1 1 94 94 PRO CB C 94 32.579 32.579 32.149 0.430 25700 536 1 1 . 1 1 95 95 GLU N N 95 116.747 116.747 116.588 0.159 25700 537 1 1 . 1 1 95 95 GLU HA H 95 4.223 4.223 4.335 -0.112 25700 538 1 1 . 1 1 95 95 GLU C C 95 177.994 177.994 177.673 0.321 25700 539 1 1 . 1 1 95 95 GLU CA C 95 57.773 57.773 57.433 0.340 25700 540 1 1 . 1 1 95 95 GLU CB C 95 29.084 29.084 29.150 -0.066 25700 541 1 1 . 1 1 95 95 GLU H H 95 8.358 8.358 8.119 0.239 25700 542 1 1 . 1 1 96 96 THR N N 96 109.182 109.182 109.928 -0.746 25700 543 1 1 . 1 1 96 96 THR HA H 96 4.169 4.169 4.412 -0.243 25700 544 1 1 . 1 1 96 96 THR C C 96 175.238 175.238 175.749 -0.511 25700 545 1 1 . 1 1 96 96 THR CA C 96 63.038 63.038 63.515 -0.477 25700 546 1 1 . 1 1 96 96 THR CB C 96 69.640 69.640 70.114 -0.474 25700 547 1 1 . 1 1 96 96 THR H H 96 7.951 7.951 8.085 -0.134 25700 548 1 1 . 1 1 97 97 VAL N N 97 121.118 121.118 118.160 2.958 25700 549 1 1 . 1 1 97 97 VAL HA H 97 3.770 3.770 4.027 -0.257 25700 550 1 1 . 1 1 97 97 VAL C C 97 174.851 174.851 175.322 -0.471 25700 551 1 1 . 1 1 97 97 VAL CA C 97 63.272 63.272 62.898 0.374 25700 552 1 1 . 1 1 97 97 VAL CB C 97 30.627 30.627 31.313 -0.686 25700 553 1 1 . 1 1 97 97 VAL H H 97 7.175 7.175 7.527 -0.352 25700 554 1 1 . 1 1 98 98 LYS N N 98 123.245 123.245 122.461 0.784 25700 555 1 1 . 1 1 98 98 LYS HA H 98 4.385 4.385 4.222 0.163 25700 556 1 1 . 1 1 98 98 LYS C C 98 175.612 175.612 175.994 -0.382 25700 557 1 1 . 1 1 98 98 LYS CA C 98 55.812 55.812 56.925 -1.113 25700 558 1 1 . 1 1 98 98 LYS CB C 98 33.804 33.804 30.333 3.471 25700 559 1 1 . 1 1 98 98 LYS H H 98 7.712 7.712 7.887 -0.175 25700 560 1 1 . 1 1 99 99 LEU N N 99 122.457 122.457 117.250 5.207 25700 561 1 1 . 1 1 99 99 LEU HA H 99 4.123 4.123 3.837 0.286 25700 562 1 1 . 1 1 99 99 LEU C C 99 177.160 177.160 176.043 1.117 25700 563 1 1 . 1 1 99 99 LEU CA C 99 55.309 55.309 55.768 -0.459 25700 564 1 1 . 1 1 99 99 LEU CB C 99 42.319 42.319 39.248 3.071 25700 565 1 1 . 1 1 99 99 LEU H H 99 8.110 8.110 8.683 -0.573 25700 566 1 1 . 1 1 100 100 GLU N N 100 120.800 120.800 119.167 1.633 25700 567 1 1 . 1 1 100 100 GLU HA H 100 4.151 4.151 4.090 0.061 25700 568 1 1 . 1 1 100 100 GLU C C 100 176.070 176.070 175.425 0.645 25700 569 1 1 . 1 1 100 100 GLU CA C 100 56.740 56.740 56.004 0.736 25700 570 1 1 . 1 1 100 100 GLU CB C 100 30.060 30.060 30.956 -0.895 25700 571 1 1 . 1 1 100 100 GLU H H 100 8.340 8.340 8.027 0.313 25700 572 1 2 . 1 1 2 2 VAL N N 2 123.080 123.080 119.920 3.160 25700 573 1 2 . 1 1 2 2 VAL HA H 2 4.678 4.678 4.150 0.528 25700 574 1 2 . 1 1 2 2 VAL C C 2 171.871 171.871 175.415 -3.544 25700 575 1 2 . 1 1 2 2 VAL CA C 2 59.500 59.500 61.268 -1.768 25700 576 1 2 . 1 1 2 2 VAL CB C 2 34.185 34.185 32.185 2.000 25700 577 1 2 . 1 1 2 2 VAL H H 2 8.041 8.041 7.987 0.054 25700 578 1 2 . 1 1 3 3 GLN N N 3 123.080 123.080 122.218 0.862 25700 579 1 2 . 1 1 3 3 GLN HA H 3 4.660 4.660 4.749 -0.089 25700 580 1 2 . 1 1 3 3 GLN CA C 3 54.109 54.109 53.007 1.103 25700 581 1 2 . 1 1 3 3 GLN CB C 3 33.338 33.338 32.743 0.595 25700 582 1 2 . 1 1 3 3 GLN H H 3 8.126 8.126 9.035 -0.909 25700 583 1 2 . 1 1 4 4 CYS N N 4 115.260 115.260 117.200 -1.940 25700 584 1 2 . 1 1 4 4 CYS HA H 4 5.676 5.676 5.165 0.511 25700 585 1 2 . 1 1 4 4 CYS C C 4 171.720 171.720 172.907 -1.187 25700 586 1 2 . 1 1 4 4 CYS CA C 4 53.402 53.402 56.908 -3.506 25700 587 1 2 . 1 1 4 4 CYS CB C 4 45.525 45.525 31.022 14.503 25700 588 1 2 . 1 1 4 4 CYS H H 4 8.909 8.909 8.447 0.462 25700 589 1 2 . 1 1 5 5 GLU N N 5 117.764 117.764 120.932 -3.168 25700 590 1 2 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.800 -0.321 25700 591 1 2 . 1 1 5 5 GLU C C 5 174.088 174.088 174.174 -0.086 25700 592 1 2 . 1 1 5 5 GLU CA C 5 54.838 54.838 54.311 0.527 25700 593 1 2 . 1 1 5 5 GLU CB C 5 34.155 34.155 34.179 -0.024 25700 594 1 2 . 1 1 5 5 GLU H H 5 8.580 8.580 8.892 -0.312 25700 595 1 2 . 1 1 6 6 VAL N N 6 120.471 120.471 115.046 5.425 25700 596 1 2 . 1 1 6 6 VAL HA H 6 4.427 4.427 4.275 0.152 25700 597 1 2 . 1 1 6 6 VAL C C 6 174.211 174.211 174.019 0.192 25700 598 1 2 . 1 1 6 6 VAL CA C 6 61.540 61.540 60.453 1.087 25700 599 1 2 . 1 1 6 6 VAL CB C 6 32.618 32.618 33.471 -0.853 25700 600 1 2 . 1 1 6 6 VAL H H 6 8.588 8.588 8.173 0.415 25700 601 1 2 . 1 1 7 7 GLU N N 7 125.816 125.816 124.973 0.843 25700 602 1 2 . 1 1 7 7 GLU HA H 7 4.548 4.548 4.074 0.474 25700 603 1 2 . 1 1 7 7 GLU C C 7 174.194 174.194 174.415 -0.221 25700 604 1 2 . 1 1 7 7 GLU CA C 7 54.524 54.524 53.885 0.639 25700 605 1 2 . 1 1 7 7 GLU CB C 7 33.291 33.291 34.420 -1.129 25700 606 1 2 . 1 1 7 7 GLU H H 7 8.820 8.820 8.394 0.426 25700 607 1 2 . 1 1 8 8 ALA N N 8 122.882 122.882 122.871 0.011 25700 608 1 2 . 1 1 8 8 ALA HA H 8 5.238 5.238 4.645 0.593 25700 609 1 2 . 1 1 8 8 ALA C C 8 175.557 175.557 175.581 -0.024 25700 610 1 2 . 1 1 8 8 ALA CA C 8 49.950 49.950 50.940 -0.990 25700 611 1 2 . 1 1 8 8 ALA CB C 8 22.730 22.730 21.217 1.513 25700 612 1 2 . 1 1 8 8 ALA H H 8 8.410 8.410 8.485 -0.075 25700 613 1 2 . 1 1 9 9 ALA N N 9 124.110 124.110 128.100 -3.990 25700 614 1 2 . 1 1 9 9 ALA HA H 9 4.691 4.691 4.754 -0.063 25700 615 1 2 . 1 1 9 9 ALA C C 9 176.300 176.300 175.783 0.517 25700 616 1 2 . 1 1 9 9 ALA CA C 9 50.825 50.825 50.572 0.253 25700 617 1 2 . 1 1 9 9 ALA CB C 9 21.240 21.240 20.111 1.129 25700 618 1 2 . 1 1 9 9 ALA H H 9 8.407 8.407 9.135 -0.728 25700 619 1 2 . 1 1 10 10 VAL N N 10 126.780 126.780 125.268 1.512 25700 620 1 2 . 1 1 10 10 VAL HA H 10 4.379 4.379 4.024 0.355 25700 621 1 2 . 1 1 10 10 VAL C C 10 175.717 175.717 175.507 0.210 25700 622 1 2 . 1 1 10 10 VAL CA C 10 61.580 61.580 62.679 -1.099 25700 623 1 2 . 1 1 10 10 VAL CB C 10 32.209 32.209 32.584 -0.375 25700 624 1 2 . 1 1 10 10 VAL H H 10 8.860 8.860 7.979 0.881 25700 625 1 2 . 1 1 11 11 SER N N 11 120.868 120.868 121.250 -0.382 25700 626 1 2 . 1 1 11 11 SER HA H 11 4.448 4.448 4.684 -0.236 25700 627 1 2 . 1 1 11 11 SER C C 11 175.498 175.498 174.542 0.956 25700 628 1 2 . 1 1 11 11 SER CA C 11 57.590 57.590 55.939 1.651 25700 629 1 2 . 1 1 11 11 SER CB C 11 64.000 64.000 65.629 -1.629 25700 630 1 2 . 1 1 11 11 SER H H 11 8.478 8.478 8.961 -0.483 25700 631 1 2 . 1 1 12 12 GLY N N 12 116.896 116.896 108.368 8.528 25700 632 1 2 . 1 1 12 12 GLY C C 12 174.994 174.994 174.717 0.277 25700 633 1 2 . 1 1 12 12 GLY CA C 12 47.515 47.515 45.574 1.941 25700 634 1 2 . 1 1 12 12 GLY H H 12 9.120 9.120 8.476 0.644 25700 635 1 2 . 1 1 13 13 GLY N N 13 108.984 108.984 112.747 -3.763 25700 636 1 2 . 1 1 13 13 GLY C C 13 174.440 174.440 173.402 1.038 25700 637 1 2 . 1 1 13 13 GLY CA C 13 45.383 45.383 44.861 0.522 25700 638 1 2 . 1 1 13 13 GLY H H 13 8.816 8.816 8.135 0.681 25700 639 1 2 . 1 1 14 14 HIS N N 14 118.737 118.737 118.444 0.293 25700 640 1 2 . 1 1 14 14 HIS HA H 14 5.458 5.458 5.372 0.086 25700 641 1 2 . 1 1 14 14 HIS C C 14 172.243 172.243 173.170 -0.927 25700 642 1 2 . 1 1 14 14 HIS CA C 14 54.905 54.905 55.554 -0.649 25700 643 1 2 . 1 1 14 14 HIS CB C 14 32.311 32.311 34.341 -2.030 25700 644 1 2 . 1 1 14 14 HIS H H 14 8.084 8.084 7.091 0.993 25700 645 1 2 . 1 1 15 15 VAL N N 15 120.204 120.204 121.496 -1.292 25700 646 1 2 . 1 1 15 15 VAL HA H 15 4.932 4.932 4.615 0.317 25700 647 1 2 . 1 1 15 15 VAL C C 15 172.314 172.314 173.957 -1.643 25700 648 1 2 . 1 1 15 15 VAL CA C 15 58.540 58.540 60.561 -2.021 25700 649 1 2 . 1 1 15 15 VAL CB C 15 34.285 34.285 35.285 -1.000 25700 650 1 2 . 1 1 15 15 VAL H H 15 9.369 9.369 9.321 0.048 25700 651 1 2 . 1 1 16 16 THR N N 16 123.685 123.685 126.376 -2.691 25700 652 1 2 . 1 1 16 16 THR HA H 16 5.220 5.220 4.713 0.507 25700 653 1 2 . 1 1 16 16 THR C C 16 174.478 174.478 173.059 1.419 25700 654 1 2 . 1 1 16 16 THR CA C 16 61.481 61.481 62.627 -1.146 25700 655 1 2 . 1 1 16 16 THR CB C 16 70.017 70.017 68.854 1.163 25700 656 1 2 . 1 1 16 16 THR H H 16 8.604 8.604 9.112 -0.508 25700 657 1 2 . 1 1 17 17 LEU N N 17 128.958 128.958 129.295 -0.337 25700 658 1 2 . 1 1 17 17 LEU HA H 17 5.407 5.407 4.498 0.909 25700 659 1 2 . 1 1 17 17 LEU C C 17 174.481 174.481 174.273 0.208 25700 660 1 2 . 1 1 17 17 LEU CA C 17 53.999 53.999 54.002 -0.003 25700 661 1 2 . 1 1 17 17 LEU CB C 17 44.108 44.108 44.875 -0.767 25700 662 1 2 . 1 1 17 17 LEU H H 17 9.627 9.627 9.325 0.302 25700 663 1 2 . 1 1 18 18 GLN N N 18 115.227 115.227 120.125 -4.898 25700 664 1 2 . 1 1 18 18 GLN HA H 18 4.465 4.465 5.343 -0.878 25700 665 1 2 . 1 1 18 18 GLN C C 18 174.042 174.042 174.678 -0.636 25700 666 1 2 . 1 1 18 18 GLN CA C 18 53.725 53.725 54.003 -0.278 25700 667 1 2 . 1 1 18 18 GLN CB C 18 31.767 31.767 32.805 -1.038 25700 668 1 2 . 1 1 18 18 GLN H H 18 8.243 8.243 8.876 -0.633 25700 669 1 2 . 1 1 19 19 GLY N N 19 107.795 107.795 109.604 -1.809 25700 670 1 2 . 1 1 19 19 GLY C C 19 172.005 172.005 172.459 -0.454 25700 671 1 2 . 1 1 19 19 GLY CA C 19 44.485 44.485 43.855 0.630 25700 672 1 2 . 1 1 19 19 GLY H H 19 9.100 9.100 9.015 0.085 25700 673 1 2 . 1 1 20 20 VAL N N 20 120.951 120.951 127.447 -6.496 25700 674 1 2 . 1 1 20 20 VAL HA H 20 4.634 4.634 4.084 0.550 25700 675 1 2 . 1 1 20 20 VAL C C 20 175.670 175.670 175.243 0.427 25700 676 1 2 . 1 1 20 20 VAL CA C 20 61.380 61.380 62.603 -1.223 25700 677 1 2 . 1 1 20 20 VAL CB C 20 33.990 33.990 32.520 1.470 25700 678 1 2 . 1 1 20 20 VAL H H 20 8.859 8.859 8.554 0.305 25700 679 1 2 . 1 1 21 21 ILE N N 21 129.511 129.511 130.875 -1.364 25700 680 1 2 . 1 1 21 21 ILE HA H 21 4.443 4.443 4.471 -0.028 25700 681 1 2 . 1 1 21 21 ILE C C 21 174.567 174.567 175.565 -0.998 25700 682 1 2 . 1 1 21 21 ILE CA C 21 59.883 59.883 60.327 -0.444 25700 683 1 2 . 1 1 21 21 ILE CB C 21 41.152 41.152 38.588 2.564 25700 684 1 2 . 1 1 21 21 ILE H H 21 9.304 9.304 9.188 0.116 25700 685 1 2 . 1 1 22 22 THR N N 22 120.311 120.311 125.558 -5.247 25700 686 1 2 . 1 1 22 22 THR HA H 22 4.479 4.479 4.875 -0.396 25700 687 1 2 . 1 1 22 22 THR C C 22 172.996 172.996 173.394 -0.398 25700 688 1 2 . 1 1 22 22 THR CA C 22 61.647 61.647 62.629 -0.982 25700 689 1 2 . 1 1 22 22 THR CB C 22 70.230 70.230 69.623 0.607 25700 690 1 2 . 1 1 22 22 THR H H 22 8.063 8.063 8.529 -0.466 25700 691 1 2 . 1 1 23 23 ALA N N 23 104.959 104.959 129.286 -24.327 25700 692 1 2 . 1 1 23 23 ALA HA H 23 5.056 5.056 4.830 0.226 25700 693 1 2 . 1 1 23 23 ALA C C 23 177.722 177.722 177.024 0.698 25700 694 1 2 . 1 1 23 23 ALA CA C 23 49.963 49.963 50.309 -0.346 25700 695 1 2 . 1 1 23 23 ALA CB C 23 22.915 22.915 21.271 1.644 25700 696 1 2 . 1 1 23 23 ALA H H 23 9.764 9.764 8.688 1.076 25700 697 1 2 . 1 1 24 24 VAL N N 24 113.370 113.370 122.899 -9.529 25700 698 1 2 . 1 1 24 24 VAL HA H 24 4.083 4.083 3.962 0.121 25700 699 1 2 . 1 1 24 24 VAL C C 24 174.539 174.539 175.317 -0.778 25700 700 1 2 . 1 1 24 24 VAL CA C 24 62.339 62.339 64.171 -1.832 25700 701 1 2 . 1 1 24 24 VAL CB C 24 31.933 31.933 31.801 0.132 25700 702 1 2 . 1 1 24 24 VAL H H 24 8.239 8.239 8.744 -0.505 25700 703 1 2 . 1 1 25 25 ARG N N 25 116.002 116.002 119.062 -3.060 25700 704 1 2 . 1 1 25 25 ARG HA H 25 4.740 4.740 4.583 0.157 25700 705 1 2 . 1 1 25 25 ARG C C 25 172.797 172.797 174.439 -1.642 25700 706 1 2 . 1 1 25 25 ARG CA C 25 53.284 53.284 53.902 -0.618 25700 707 1 2 . 1 1 25 25 ARG CB C 25 33.542 33.542 32.981 0.561 25700 708 1 2 . 1 1 25 25 ARG H H 25 7.308 7.308 7.724 -0.416 25700 709 1 2 . 1 1 26 26 ASP N N 26 118.075 118.075 121.468 -3.393 25700 710 1 2 . 1 1 26 26 ASP HA H 26 4.665 4.665 5.037 -0.372 25700 711 1 2 . 1 1 26 26 ASP C C 26 177.721 177.721 175.971 1.750 25700 712 1 2 . 1 1 26 26 ASP CA C 26 53.911 53.911 53.537 0.374 25700 713 1 2 . 1 1 26 26 ASP CB C 26 41.143 41.143 41.934 -0.791 25700 714 1 2 . 1 1 26 26 ASP H H 26 8.301 8.301 8.299 0.002 25700 715 1 2 . 1 1 27 27 GLY N N 27 106.966 106.966 109.083 -2.117 25700 716 1 2 . 1 1 27 27 GLY C C 27 170.472 170.472 172.118 -1.646 25700 717 1 2 . 1 1 27 27 GLY CA C 27 46.213 46.213 45.196 1.017 25700 718 1 2 . 1 1 27 27 GLY H H 27 8.276 8.276 8.957 -0.681 25700 719 1 2 . 1 1 28 28 ALA N N 28 122.805 122.805 123.476 -0.671 25700 720 1 2 . 1 1 28 28 ALA HA H 28 4.898 4.898 4.941 -0.043 25700 721 1 2 . 1 1 28 28 ALA C C 28 176.720 176.720 175.778 0.942 25700 722 1 2 . 1 1 28 28 ALA CA C 28 50.756 50.756 50.894 -0.138 25700 723 1 2 . 1 1 28 28 ALA CB C 28 21.482 21.482 21.519 -0.037 25700 724 1 2 . 1 1 28 28 ALA H H 28 8.065 8.065 8.160 -0.095 25700 725 1 2 . 1 1 29 29 GLY N N 29 106.538 106.538 107.939 -1.401 25700 726 1 2 . 1 1 29 29 GLY C C 29 172.866 172.866 170.966 1.900 25700 727 1 2 . 1 1 29 29 GLY CA C 29 45.538 45.538 42.529 3.009 25700 728 1 2 . 1 1 29 29 GLY H H 29 7.654 7.654 8.790 -1.136 25700 729 1 2 . 1 1 30 30 SER N N 30 116.216 116.216 113.088 3.128 25700 730 1 2 . 1 1 30 30 SER HA H 30 5.564 5.564 4.609 0.955 25700 731 1 2 . 1 1 30 30 SER C C 30 172.216 172.216 172.648 -0.432 25700 732 1 2 . 1 1 30 30 SER CA C 30 57.505 57.505 56.536 0.969 25700 733 1 2 . 1 1 30 30 SER CB C 30 66.321 66.321 65.769 0.552 25700 734 1 2 . 1 1 30 30 SER H H 30 9.185 9.185 7.654 1.531 25700 735 1 2 . 1 1 31 31 TYR N N 31 118.467 118.467 117.202 1.265 25700 736 1 2 . 1 1 31 31 TYR HA H 31 6.035 6.035 5.050 0.985 25700 737 1 2 . 1 1 31 31 TYR C C 31 174.138 174.138 173.858 0.280 25700 738 1 2 . 1 1 31 31 TYR CA C 31 55.806 55.806 56.389 -0.583 25700 739 1 2 . 1 1 31 31 TYR CB C 31 43.091 43.091 41.393 1.698 25700 740 1 2 . 1 1 31 31 TYR H H 31 9.215 9.215 8.655 0.560 25700 741 1 2 . 1 1 32 32 LYS N N 32 121.086 121.086 120.072 1.014 25700 742 1 2 . 1 1 32 32 LYS HA H 32 4.772 4.772 4.976 -0.204 25700 743 1 2 . 1 1 32 32 LYS C C 32 173.750 173.750 174.262 -0.512 25700 744 1 2 . 1 1 32 32 LYS CA C 32 56.495 56.495 55.259 1.236 25700 745 1 2 . 1 1 32 32 LYS CB C 32 35.800 35.800 34.644 1.156 25700 746 1 2 . 1 1 32 32 LYS H H 32 8.904 8.904 9.341 -0.437 25700 747 1 2 . 1 1 33 33 LEU N N 33 128.296 128.296 126.995 1.301 25700 748 1 2 . 1 1 33 33 LEU HA H 33 5.329 5.329 4.989 0.340 25700 749 1 2 . 1 1 33 33 LEU C C 33 173.389 173.389 174.191 -0.802 25700 750 1 2 . 1 1 33 33 LEU CA C 33 53.547 53.547 52.889 0.658 25700 751 1 2 . 1 1 33 33 LEU CB C 33 45.460 45.460 44.658 0.802 25700 752 1 2 . 1 1 33 33 LEU H H 33 9.663 9.663 9.024 0.639 25700 753 1 2 . 1 1 34 34 ALA N N 34 129.791 129.791 129.934 -0.143 25700 754 1 2 . 1 1 34 34 ALA HA H 34 5.419 5.419 4.997 0.422 25700 755 1 2 . 1 1 34 34 ALA C C 34 176.313 176.313 175.223 1.090 25700 756 1 2 . 1 1 34 34 ALA CA C 34 50.605 50.605 50.082 0.523 25700 757 1 2 . 1 1 34 34 ALA CB C 34 21.237 21.237 22.567 -1.330 25700 758 1 2 . 1 1 34 34 ALA H H 34 9.044 9.044 9.258 -0.214 25700 759 1 2 . 1 1 35 35 VAL N N 35 124.532 124.532 122.036 2.496 25700 760 1 2 . 1 1 35 35 VAL HA H 35 4.844 4.844 4.588 0.256 25700 761 1 2 . 1 1 35 35 VAL C C 35 173.511 173.511 174.334 -0.823 25700 762 1 2 . 1 1 35 35 VAL CA C 35 61.113 61.113 60.863 0.250 25700 763 1 2 . 1 1 35 35 VAL CB C 35 35.152 35.152 34.933 0.219 25700 764 1 2 . 1 1 35 35 VAL H H 35 9.332 9.332 8.277 1.055 25700 765 1 2 . 1 1 36 36 ASP N N 36 127.077 127.077 127.026 0.051 25700 766 1 2 . 1 1 36 36 ASP HA H 36 5.560 5.560 5.267 0.293 25700 767 1 2 . 1 1 36 36 ASP C C 36 174.146 174.146 174.337 -0.191 25700 768 1 2 . 1 1 36 36 ASP CA C 36 53.219 53.219 53.081 0.138 25700 769 1 2 . 1 1 36 36 ASP CB C 36 44.387 44.387 43.536 0.851 25700 770 1 2 . 1 1 36 36 ASP H H 36 9.169 9.169 9.176 -0.007 25700 771 1 2 . 1 1 37 37 LYS N N 37 122.568 122.568 127.216 -4.648 25700 772 1 2 . 1 1 37 37 LYS HA H 37 4.673 4.673 5.487 -0.814 25700 773 1 2 . 1 1 37 37 LYS C C 37 173.710 173.710 174.068 -0.358 25700 774 1 2 . 1 1 37 37 LYS CA C 37 54.410 54.410 54.679 -0.269 25700 775 1 2 . 1 1 37 37 LYS CB C 37 34.907 34.907 36.176 -1.269 25700 776 1 2 . 1 1 37 37 LYS H H 37 8.665 8.665 8.748 -0.083 25700 777 1 2 . 1 1 38 38 ALA N N 38 130.221 130.221 128.794 1.427 25700 778 1 2 . 1 1 38 38 ALA HA H 38 4.983 4.983 5.361 -0.378 25700 779 1 2 . 1 1 38 38 ALA C C 38 176.141 176.141 175.080 1.061 25700 780 1 2 . 1 1 38 38 ALA CA C 38 51.093 51.093 51.223 -0.130 25700 781 1 2 . 1 1 38 38 ALA CB C 38 21.778 21.778 22.093 -0.315 25700 782 1 2 . 1 1 38 38 ALA H H 38 8.798 8.798 9.083 -0.285 25700 783 1 2 . 1 1 39 39 GLY N N 39 109.328 109.328 109.495 -0.167 25700 784 1 2 . 1 1 39 39 GLY C C 39 174.208 174.208 174.119 0.089 25700 785 1 2 . 1 1 39 39 GLY CA C 39 44.645 44.645 44.893 -0.248 25700 786 1 2 . 1 1 39 39 GLY H H 39 7.851 7.851 8.582 -0.731 25700 787 1 2 . 1 1 40 40 ALA N N 40 125.088 125.088 122.136 2.952 25700 788 1 2 . 1 1 40 40 ALA HA H 40 4.051 4.051 4.210 -0.159 25700 789 1 2 . 1 1 40 40 ALA C C 40 178.917 178.917 178.821 0.096 25700 790 1 2 . 1 1 40 40 ALA CA C 40 54.841 54.841 54.381 0.460 25700 791 1 2 . 1 1 40 40 ALA CB C 40 18.293 18.293 18.547 -0.254 25700 792 1 2 . 1 1 40 40 ALA H H 40 8.766 8.766 8.396 0.370 25700 793 1 2 . 1 1 41 41 ALA N N 41 117.569 117.569 120.208 -2.639 25700 794 1 2 . 1 1 41 41 ALA HA H 41 4.419 4.419 4.367 0.052 25700 795 1 2 . 1 1 41 41 ALA C C 41 177.136 177.136 177.885 -0.749 25700 796 1 2 . 1 1 41 41 ALA CA C 41 51.929 51.929 51.501 0.428 25700 797 1 2 . 1 1 41 41 ALA CB C 41 18.774 18.774 18.907 -0.133 25700 798 1 2 . 1 1 41 41 ALA H H 41 8.300 8.300 8.059 0.241 25700 799 1 2 . 1 1 42 42 GLY N N 42 106.796 106.796 107.563 -0.767 25700 800 1 2 . 1 1 42 42 GLY C C 42 173.379 173.379 172.571 0.808 25700 801 1 2 . 1 1 42 42 GLY CA C 42 44.336 44.336 44.483 -0.148 25700 802 1 2 . 1 1 42 42 GLY H H 42 7.577 7.577 7.762 -0.185 25700 803 1 2 . 1 1 43 43 THR N N 43 116.541 116.541 113.952 2.589 25700 804 1 2 . 1 1 43 43 THR HA H 43 5.263 5.263 5.332 -0.069 25700 805 1 2 . 1 1 43 43 THR C C 43 174.244 174.244 174.223 0.021 25700 806 1 2 . 1 1 43 43 THR CA C 43 61.137 61.137 60.448 0.689 25700 807 1 2 . 1 1 43 43 THR CB C 43 70.759 70.759 70.788 -0.029 25700 808 1 2 . 1 1 43 43 THR H H 43 8.526 8.526 8.221 0.305 25700 809 1 2 . 1 1 44 44 SER N N 44 120.903 120.903 119.876 1.027 25700 810 1 2 . 1 1 44 44 SER HA H 44 4.759 4.759 4.741 0.018 25700 811 1 2 . 1 1 44 44 SER C C 44 172.241 172.241 173.310 -1.069 25700 812 1 2 . 1 1 44 44 SER CA C 44 57.340 57.340 57.736 -0.396 25700 813 1 2 . 1 1 44 44 SER CB C 44 65.568 65.568 66.020 -0.452 25700 814 1 2 . 1 1 44 44 SER H H 44 8.904 8.904 9.217 -0.313 25700 815 1 2 . 1 1 45 45 ARG N N 45 124.546 124.546 124.001 0.545 25700 816 1 2 . 1 1 45 45 ARG HA H 45 5.489 5.489 4.773 0.716 25700 817 1 2 . 1 1 45 45 ARG C C 45 175.520 175.520 175.499 0.021 25700 818 1 2 . 1 1 45 45 ARG CA C 45 55.101 55.101 54.636 0.465 25700 819 1 2 . 1 1 45 45 ARG CB C 45 32.760 32.760 30.508 2.252 25700 820 1 2 . 1 1 45 45 ARG H H 45 8.579 8.579 8.594 -0.015 25700 821 1 2 . 1 1 46 46 ILE N N 46 127.920 127.920 126.450 1.470 25700 822 1 2 . 1 1 46 46 ILE HA H 46 4.460 4.460 4.272 0.188 25700 823 1 2 . 1 1 46 46 ILE C C 46 174.450 174.450 175.198 -0.748 25700 824 1 2 . 1 1 46 46 ILE CA C 46 60.220 60.220 60.228 -0.008 25700 825 1 2 . 1 1 46 46 ILE CB C 46 41.290 41.290 40.228 1.062 25700 826 1 2 . 1 1 46 46 ILE H H 46 9.344 9.344 9.086 0.258 25700 827 1 2 . 1 1 47 47 LYS N N 47 126.061 126.061 126.309 -0.248 25700 828 1 2 . 1 1 47 47 LYS HA H 47 5.514 5.514 4.614 0.900 25700 829 1 2 . 1 1 47 47 LYS C C 47 175.790 175.790 174.929 0.861 25700 830 1 2 . 1 1 47 47 LYS CA C 47 54.870 54.870 55.629 -0.759 25700 831 1 2 . 1 1 47 47 LYS CB C 47 35.386 35.386 34.272 1.114 25700 832 1 2 . 1 1 47 47 LYS H H 47 8.734 8.734 8.577 0.157 25700 833 1 2 . 1 1 48 48 GLN N N 48 122.633 122.633 124.857 -2.224 25700 834 1 2 . 1 1 48 48 GLN HA H 48 4.669 4.669 4.653 0.016 25700 835 1 2 . 1 1 48 48 GLN C C 48 173.659 173.659 173.702 -0.043 25700 836 1 2 . 1 1 48 48 GLN CA C 48 54.895 54.895 54.946 -0.051 25700 837 1 2 . 1 1 48 48 GLN CB C 48 33.072 33.072 32.413 0.659 25700 838 1 2 . 1 1 48 48 GLN H H 48 9.228 9.228 9.090 0.138 25700 839 1 2 . 1 1 49 49 ALA N N 49 125.634 125.634 125.813 -0.179 25700 840 1 2 . 1 1 49 49 ALA HA H 49 4.544 4.544 5.285 -0.741 25700 841 1 2 . 1 1 49 49 ALA C C 49 175.881 175.881 176.216 -0.335 25700 842 1 2 . 1 1 49 49 ALA CA C 49 50.993 50.993 51.134 -0.141 25700 843 1 2 . 1 1 49 49 ALA CB C 49 22.620 22.620 21.721 0.898 25700 844 1 2 . 1 1 49 49 ALA H H 49 8.557 8.557 8.484 0.073 25700 845 1 2 . 1 1 50 50 GLY N N 50 105.483 105.483 108.527 -3.044 25700 846 1 2 . 1 1 50 50 GLY C C 50 170.217 170.217 171.588 -1.371 25700 847 1 2 . 1 1 50 50 GLY CA C 50 45.670 45.670 46.121 -0.451 25700 848 1 2 . 1 1 50 50 GLY H H 50 6.865 6.865 8.433 -1.568 25700 849 1 2 . 1 1 51 51 ALA N N 51 122.908 122.908 121.945 0.963 25700 850 1 2 . 1 1 51 51 ALA HA H 51 5.265 5.265 4.887 0.378 25700 851 1 2 . 1 1 51 51 ALA C C 51 176.793 176.793 175.163 1.630 25700 852 1 2 . 1 1 51 51 ALA CA C 51 50.736 50.736 50.663 0.074 25700 853 1 2 . 1 1 51 51 ALA CB C 51 21.840 21.840 21.802 0.038 25700 854 1 2 . 1 1 51 51 ALA H H 51 8.522 8.522 8.099 0.423 25700 855 1 2 . 1 1 52 52 PHE N N 52 115.156 115.156 119.684 -4.528 25700 856 1 2 . 1 1 52 52 PHE HA H 52 5.106 5.106 4.882 0.224 25700 857 1 2 . 1 1 52 52 PHE C C 52 172.832 172.832 173.431 -0.599 25700 858 1 2 . 1 1 52 52 PHE CA C 52 56.890 56.890 57.021 -0.131 25700 859 1 2 . 1 1 52 52 PHE CB C 52 42.428 42.428 43.149 -0.721 25700 860 1 2 . 1 1 52 52 PHE H H 52 8.191 8.191 9.018 -0.827 25700 861 1 2 . 1 1 53 53 THR N N 53 116.180 116.180 115.268 0.912 25700 862 1 2 . 1 1 53 53 THR HA H 53 4.631 4.631 4.510 0.121 25700 863 1 2 . 1 1 53 53 THR C C 53 172.769 172.769 173.250 -0.481 25700 864 1 2 . 1 1 53 53 THR CA C 53 61.610 61.610 60.854 0.756 25700 865 1 2 . 1 1 53 53 THR CB C 53 70.736 70.736 68.487 2.249 25700 866 1 2 . 1 1 53 53 THR H H 53 8.650 8.650 6.750 1.900 25700 867 1 2 . 1 1 54 54 ALA N N 54 127.969 127.969 129.189 -1.220 25700 868 1 2 . 1 1 54 54 ALA HA H 54 4.748 4.748 4.735 0.013 25700 869 1 2 . 1 1 54 54 ALA C C 54 176.369 176.369 174.899 1.470 25700 870 1 2 . 1 1 54 54 ALA CA C 54 51.397 51.397 50.480 0.917 25700 871 1 2 . 1 1 54 54 ALA CB C 54 22.010 22.010 22.212 -0.202 25700 872 1 2 . 1 1 54 54 ALA H H 54 9.353 9.353 8.494 0.859 25700 873 1 2 . 1 1 55 55 ILE N N 55 123.326 123.326 120.849 2.477 25700 874 1 2 . 1 1 55 55 ILE HA H 55 4.391 4.391 4.345 0.046 25700 875 1 2 . 1 1 55 55 ILE C C 55 176.079 176.079 175.500 0.579 25700 876 1 2 . 1 1 55 55 ILE CA C 55 59.138 59.138 59.814 -0.676 25700 877 1 2 . 1 1 55 55 ILE CB C 55 39.451 39.451 41.064 -1.613 25700 878 1 2 . 1 1 55 55 ILE H H 55 7.856 7.856 8.544 -0.688 25700 879 1 2 . 1 1 56 56 ALA N N 56 130.280 130.280 127.891 2.389 25700 880 1 2 . 1 1 56 56 ALA HA H 56 3.493 3.493 4.337 -0.844 25700 881 1 2 . 1 1 56 56 ALA C C 56 177.405 177.405 177.705 -0.300 25700 882 1 2 . 1 1 56 56 ALA CA C 56 54.156 54.156 52.331 1.825 25700 883 1 2 . 1 1 56 56 ALA CB C 56 18.871 18.871 18.810 0.061 25700 884 1 2 . 1 1 56 56 ALA H H 56 9.104 9.104 8.435 0.669 25700 885 1 2 . 1 1 57 57 GLU N N 57 113.081 113.081 119.126 -6.045 25700 886 1 2 . 1 1 57 57 GLU HA H 57 3.614 3.614 3.770 -0.156 25700 887 1 2 . 1 1 57 57 GLU C C 57 174.959 174.959 175.000 -0.041 25700 888 1 2 . 1 1 57 57 GLU CA C 57 58.080 58.080 57.422 0.658 25700 889 1 2 . 1 1 57 57 GLU CB C 57 27.141 27.141 28.191 -1.050 25700 890 1 2 . 1 1 57 57 GLU H H 57 9.007 9.007 8.890 0.117 25700 891 1 2 . 1 1 58 58 GLN N N 58 119.796 119.796 117.416 2.380 25700 892 1 2 . 1 1 58 58 GLN HA H 58 4.519 4.519 4.649 -0.130 25700 893 1 2 . 1 1 58 58 GLN C C 58 175.217 175.217 174.503 0.714 25700 894 1 2 . 1 1 58 58 GLN CA C 58 54.379 54.379 53.916 0.463 25700 895 1 2 . 1 1 58 58 GLN CB C 58 30.102 30.102 32.256 -2.154 25700 896 1 2 . 1 1 58 58 GLN H H 58 8.061 8.061 7.715 0.346 25700 897 1 2 . 1 1 59 59 ARG N N 59 124.810 124.810 123.999 0.811 25700 898 1 2 . 1 1 59 59 ARG HA H 59 4.286 4.286 4.420 -0.134 25700 899 1 2 . 1 1 59 59 ARG C C 59 176.396 176.396 175.834 0.562 25700 900 1 2 . 1 1 59 59 ARG CA C 59 56.810 56.810 55.667 1.143 25700 901 1 2 . 1 1 59 59 ARG CB C 59 30.906 30.906 30.622 0.284 25700 902 1 2 . 1 1 59 59 ARG H H 59 8.486 8.486 8.555 -0.069 25700 903 1 2 . 1 1 60 60 VAL N N 60 127.238 127.238 126.845 0.393 25700 904 1 2 . 1 1 60 60 VAL HA H 60 4.319 4.319 4.411 -0.092 25700 905 1 2 . 1 1 60 60 VAL C C 60 174.543 174.543 174.838 -0.295 25700 906 1 2 . 1 1 60 60 VAL CA C 60 61.227 61.227 61.000 0.227 25700 907 1 2 . 1 1 60 60 VAL CB C 60 34.177 34.177 33.726 0.451 25700 908 1 2 . 1 1 60 60 VAL H H 60 9.033 9.033 9.125 -0.092 25700 909 1 2 . 1 1 61 61 THR N N 61 120.913 120.913 123.993 -3.080 25700 910 1 2 . 1 1 61 61 THR HA H 61 5.096 5.096 4.711 0.385 25700 911 1 2 . 1 1 61 61 THR C C 61 174.645 174.645 173.410 1.235 25700 912 1 2 . 1 1 61 61 THR CA C 61 60.686 60.686 62.153 -1.467 25700 913 1 2 . 1 1 61 61 THR CB C 61 69.710 69.710 69.546 0.164 25700 914 1 2 . 1 1 61 61 THR H H 61 8.340 8.340 8.608 -0.268 25700 915 1 2 . 1 1 62 62 VAL N N 62 117.650 117.650 126.133 -8.483 25700 916 1 2 . 1 1 62 62 VAL HA H 62 4.294 4.294 4.140 0.154 25700 917 1 2 . 1 1 62 62 VAL C C 62 174.530 174.530 175.392 -0.862 25700 918 1 2 . 1 1 62 62 VAL CA C 62 58.641 58.641 60.402 -1.761 25700 919 1 2 . 1 1 62 62 VAL CB C 62 34.263 34.263 34.838 -0.575 25700 920 1 2 . 1 1 62 62 VAL H H 62 8.658 8.658 8.961 -0.303 25700 921 1 2 . 1 1 63 63 GLY N N 63 107.924 107.924 114.439 -6.515 25700 922 1 2 . 1 1 63 63 GLY C C 63 172.475 172.475 173.226 -0.751 25700 923 1 2 . 1 1 63 63 GLY CA C 63 43.668 43.668 44.933 -1.265 25700 924 1 2 . 1 1 63 63 GLY H H 63 7.857 7.857 8.513 -0.656 25700 925 1 2 . 1 1 64 64 ASN N N 64 116.073 116.073 121.305 -5.232 25700 926 1 2 . 1 1 64 64 ASN HA H 64 4.530 4.530 5.183 -0.653 25700 927 1 2 . 1 1 64 64 ASN C C 64 173.307 173.307 174.784 -1.477 25700 928 1 2 . 1 1 64 64 ASN CA C 64 55.380 55.380 52.788 2.592 25700 929 1 2 . 1 1 64 64 ASN CB C 64 39.159 39.159 39.208 -0.049 25700 930 1 2 . 1 1 64 64 ASN H H 64 8.933 8.933 8.066 0.867 25700 931 1 2 . 1 1 65 65 VAL N N 65 126.612 126.612 126.297 0.315 25700 932 1 2 . 1 1 65 65 VAL HA H 65 4.238 4.238 4.334 -0.096 25700 933 1 2 . 1 1 65 65 VAL C C 65 173.538 173.538 174.454 -0.916 25700 934 1 2 . 1 1 65 65 VAL CA C 65 61.970 61.970 60.740 1.230 25700 935 1 2 . 1 1 65 65 VAL CB C 65 33.829 33.829 33.875 -0.046 25700 936 1 2 . 1 1 65 65 VAL H H 65 8.548 8.548 9.105 -0.557 25700 937 1 2 . 1 1 66 66 VAL N N 66 127.886 127.886 128.453 -0.567 25700 938 1 2 . 1 1 66 66 VAL HA H 66 4.990 4.990 4.453 0.537 25700 939 1 2 . 1 1 66 66 VAL C C 66 175.271 175.271 175.681 -0.410 25700 940 1 2 . 1 1 66 66 VAL CA C 66 61.360 61.360 61.634 -0.274 25700 941 1 2 . 1 1 66 66 VAL CB C 66 32.923 32.923 32.500 0.423 25700 942 1 2 . 1 1 66 66 VAL H H 66 8.364 8.364 8.463 -0.099 25700 943 1 2 . 1 1 67 67 LEU N N 67 126.454 126.454 128.048 -1.594 25700 944 1 2 . 1 1 67 67 LEU HA H 67 4.955 4.955 4.859 0.096 25700 945 1 2 . 1 1 67 67 LEU C C 67 176.547 176.547 176.295 0.252 25700 946 1 2 . 1 1 67 67 LEU CA C 67 52.492 52.492 52.391 0.101 25700 947 1 2 . 1 1 67 67 LEU CB C 67 46.685 46.685 43.641 3.044 25700 948 1 2 . 1 1 67 67 LEU H H 67 9.050 9.050 9.178 -0.128 25700 949 1 2 . 1 1 68 68 ASP N N 68 119.799 119.799 119.443 0.356 25700 950 1 2 . 1 1 68 68 ASP HA H 68 4.609 4.609 4.631 -0.022 25700 951 1 2 . 1 1 68 68 ASP C C 68 176.247 176.247 175.600 0.647 25700 952 1 2 . 1 1 68 68 ASP CA C 68 55.492 55.492 53.754 1.738 25700 953 1 2 . 1 1 68 68 ASP CB C 68 40.566 40.566 41.579 -1.013 25700 954 1 2 . 1 1 68 68 ASP H H 68 8.722 8.722 8.686 0.036 25700 955 1 2 . 1 1 69 69 TYR N N 69 123.398 123.398 125.604 -2.206 25700 956 1 2 . 1 1 69 69 TYR HA H 69 4.651 4.651 4.576 0.075 25700 957 1 2 . 1 1 69 69 TYR C C 69 174.253 174.253 173.895 0.358 25700 958 1 2 . 1 1 69 69 TYR CA C 69 57.767 57.767 58.339 -0.572 25700 959 1 2 . 1 1 69 69 TYR CB C 69 40.067 40.067 38.861 1.206 25700 960 1 2 . 1 1 69 69 TYR H H 69 8.603 8.603 8.140 0.463 25700 961 1 2 . 1 1 70 70 SER N N 70 121.308 121.308 122.327 -1.019 25700 962 1 2 . 1 1 70 70 SER HA H 70 4.059 4.059 4.097 -0.038 25700 963 1 2 . 1 1 70 70 SER C C 70 174.851 174.851 174.493 0.358 25700 964 1 2 . 1 1 70 70 SER CA C 70 56.341 56.341 56.246 0.095 25700 965 1 2 . 1 1 70 70 SER CB C 70 64.634 64.634 65.208 -0.574 25700 966 1 2 . 1 1 70 70 SER H H 70 6.749 6.749 8.263 -1.514 25700 967 1 2 . 1 1 71 71 SER N N 71 122.764 122.764 119.023 3.741 25700 968 1 2 . 1 1 71 71 SER HA H 71 4.221 4.221 4.785 -0.564 25700 969 1 2 . 1 1 71 71 SER C C 71 174.098 174.098 175.188 -1.090 25700 970 1 2 . 1 1 71 71 SER CA C 71 60.326 60.326 60.206 0.120 25700 971 1 2 . 1 1 71 71 SER CB C 71 62.814 62.814 63.388 -0.574 25700 972 1 2 . 1 1 71 71 SER H H 71 8.907 8.907 8.271 0.636 25700 973 1 2 . 1 1 72 72 ALA N N 72 122.199 122.199 120.680 1.519 25700 974 1 2 . 1 1 72 72 ALA HA H 72 4.320 4.320 4.442 -0.122 25700 975 1 2 . 1 1 72 72 ALA C C 72 177.749 177.749 177.257 0.492 25700 976 1 2 . 1 1 72 72 ALA CA C 72 52.283 52.283 51.562 0.721 25700 977 1 2 . 1 1 72 72 ALA CB C 72 18.950 18.950 18.630 0.320 25700 978 1 2 . 1 1 72 72 ALA H H 72 7.869 7.869 7.734 0.135 25700 979 1 2 . 1 1 73 73 ASN N N 73 116.297 116.297 117.777 -1.480 25700 980 1 2 . 1 1 73 73 ASN HA H 73 5.076 5.076 4.508 0.568 25700 981 1 2 . 1 1 73 73 ASN C C 73 173.794 173.794 174.784 -0.990 25700 982 1 2 . 1 1 73 73 ASN CA C 73 51.612 51.612 53.085 -1.473 25700 983 1 2 . 1 1 73 73 ASN CB C 73 40.647 40.647 39.432 1.215 25700 984 1 2 . 1 1 73 73 ASN H H 73 7.265 7.265 7.606 -0.341 25700 985 1 2 . 1 1 74 74 ARG N N 74 118.937 118.937 122.417 -3.480 25700 986 1 2 . 1 1 74 74 ARG HA H 74 4.684 4.684 4.415 0.269 25700 987 1 2 . 1 1 74 74 ARG C C 74 174.943 174.943 174.176 0.767 25700 988 1 2 . 1 1 74 74 ARG CA C 74 54.523 54.523 54.076 0.447 25700 989 1 2 . 1 1 74 74 ARG CB C 74 32.331 32.331 29.230 3.102 25700 990 1 2 . 1 1 74 74 ARG H H 74 8.529 8.529 8.120 0.409 25700 991 1 2 . 1 1 75 75 TYR N N 75 122.282 122.282 124.221 -1.939 25700 992 1 2 . 1 1 75 75 TYR HA H 75 5.159 5.159 5.356 -0.197 25700 993 1 2 . 1 1 75 75 TYR C C 75 173.593 173.593 174.302 -0.709 25700 994 1 2 . 1 1 75 75 TYR CA C 75 57.080 57.080 56.632 0.448 25700 995 1 2 . 1 1 75 75 TYR CB C 75 41.202 41.202 40.898 0.304 25700 996 1 2 . 1 1 75 75 TYR H H 75 8.691 8.691 8.091 0.600 25700 997 1 2 . 1 1 76 76 ALA N N 76 122.606 122.606 124.908 -2.302 25700 998 1 2 . 1 1 76 76 ALA HA H 76 4.788 4.788 4.882 -0.094 25700 999 1 2 . 1 1 76 76 ALA C C 76 175.765 175.765 174.852 0.913 25700 1000 1 2 . 1 1 76 76 ALA CA C 76 50.543 50.543 49.894 0.649 25700 1001 1 2 . 1 1 76 76 ALA CB C 76 23.070 23.070 22.927 0.143 25700 1002 1 2 . 1 1 76 76 ALA H H 76 8.688 8.688 9.355 -0.667 25700 1003 1 2 . 1 1 77 77 ALA N N 77 119.325 119.325 120.938 -1.613 25700 1004 1 2 . 1 1 77 77 ALA HA H 77 5.488 5.488 5.389 0.099 25700 1005 1 2 . 1 1 77 77 ALA C C 77 174.473 174.473 175.662 -1.189 25700 1006 1 2 . 1 1 77 77 ALA CA C 77 51.813 51.813 51.036 0.777 25700 1007 1 2 . 1 1 77 77 ALA CB C 77 24.137 24.137 22.928 1.209 25700 1008 1 2 . 1 1 77 77 ALA H H 77 8.584 8.584 8.242 0.342 25700 1009 1 2 . 1 1 78 78 ARG N N 78 122.822 122.822 118.912 3.910 25700 1010 1 2 . 1 1 78 78 ARG HA H 78 4.938 4.938 5.564 -0.626 25700 1011 1 2 . 1 1 78 78 ARG C C 78 173.170 173.170 173.804 -0.634 25700 1012 1 2 . 1 1 78 78 ARG CA C 78 54.890 54.890 54.672 0.218 25700 1013 1 2 . 1 1 78 78 ARG CB C 78 34.467 34.467 32.314 2.153 25700 1014 1 2 . 1 1 78 78 ARG H H 78 8.807 8.807 9.194 -0.387 25700 1015 1 2 . 1 1 79 79 LEU N N 79 130.548 130.548 127.569 2.979 25700 1016 1 2 . 1 1 79 79 LEU HA H 79 5.440 5.440 5.229 0.211 25700 1017 1 2 . 1 1 79 79 LEU C C 79 173.434 173.434 174.636 -1.202 25700 1018 1 2 . 1 1 79 79 LEU CA C 79 53.186 53.186 53.400 -0.214 25700 1019 1 2 . 1 1 79 79 LEU CB C 79 45.369 45.369 45.465 -0.096 25700 1020 1 2 . 1 1 79 79 LEU H H 79 9.055 9.055 8.893 0.162 25700 1021 1 2 . 1 1 80 80 ASP N N 80 125.928 125.928 128.453 -2.525 25700 1022 1 2 . 1 1 80 80 ASP HA H 80 5.480 5.480 5.417 0.063 25700 1023 1 2 . 1 1 80 80 ASP C C 80 175.805 175.805 175.685 0.120 25700 1024 1 2 . 1 1 80 80 ASP CA C 80 53.794 53.794 54.308 -0.514 25700 1025 1 2 . 1 1 80 80 ASP CB C 80 44.119 44.119 42.394 1.725 25700 1026 1 2 . 1 1 80 80 ASP H H 80 9.251 9.251 9.175 0.076 25700 1027 1 2 . 1 1 81 81 VAL N N 81 123.295 123.295 125.848 -2.553 25700 1028 1 2 . 1 1 81 81 VAL HA H 81 4.843 4.843 4.468 0.375 25700 1029 1 2 . 1 1 81 81 VAL C C 81 174.136 174.136 174.777 -0.641 25700 1030 1 2 . 1 1 81 81 VAL CA C 81 61.438 61.438 61.913 -0.475 25700 1031 1 2 . 1 1 81 81 VAL CB C 81 35.299 35.299 32.379 2.920 25700 1032 1 2 . 1 1 81 81 VAL H H 81 8.947 8.947 8.632 0.315 25700 1033 1 2 . 1 1 82 82 SER N N 82 122.698 122.698 123.241 -0.543 25700 1034 1 2 . 1 1 82 82 SER HA H 82 5.380 5.380 5.423 -0.043 25700 1035 1 2 . 1 1 82 82 SER C C 82 173.016 173.016 173.636 -0.620 25700 1036 1 2 . 1 1 82 82 SER CA C 82 57.195 57.195 56.810 0.385 25700 1037 1 2 . 1 1 82 82 SER CB C 82 64.477 64.477 64.359 0.118 25700 1038 1 2 . 1 1 82 82 SER H H 82 9.026 9.026 8.718 0.308 25700 1039 1 2 . 1 1 83 83 PHE N N 83 127.305 127.305 127.228 0.077 25700 1040 1 2 . 1 1 83 83 PHE HA H 83 4.781 4.781 4.905 -0.124 25700 1041 1 2 . 1 1 83 83 PHE C C 83 174.741 174.741 175.398 -0.657 25700 1042 1 2 . 1 1 83 83 PHE CA C 83 57.376 57.376 57.312 0.064 25700 1043 1 2 . 1 1 83 83 PHE CB C 83 42.094 42.094 40.624 1.470 25700 1044 1 2 . 1 1 83 83 PHE H H 83 9.012 9.012 8.825 0.187 25700 1045 1 2 . 1 1 84 84 GLY N N 84 117.337 117.337 116.537 0.800 25700 1046 1 2 . 1 1 84 84 GLY C C 84 175.295 175.295 175.159 0.136 25700 1047 1 2 . 1 1 84 84 GLY CA C 84 47.086 47.086 46.525 0.561 25700 1048 1 2 . 1 1 84 84 GLY H H 84 8.784 8.784 8.520 0.264 25700 1049 1 2 . 1 1 85 85 SER N N 85 120.553 120.553 119.836 0.717 25700 1050 1 2 . 1 1 85 85 SER HA H 85 4.383 4.383 4.421 -0.038 25700 1051 1 2 . 1 1 85 85 SER C C 85 173.796 173.796 174.912 -1.116 25700 1052 1 2 . 1 1 85 85 SER CA C 85 59.095 59.095 58.411 0.684 25700 1053 1 2 . 1 1 85 85 SER CB C 85 63.360 63.360 64.017 -0.657 25700 1054 1 2 . 1 1 85 85 SER H H 85 8.687 8.687 8.376 0.311 25700 1055 1 2 . 1 1 86 86 VAL N N 86 121.297 121.297 123.014 -1.717 25700 1056 1 2 . 1 1 86 86 VAL HA H 86 4.504 4.504 4.289 0.215 25700 1057 1 2 . 1 1 86 86 VAL C C 86 174.888 174.888 173.844 1.044 25700 1058 1 2 . 1 1 86 86 VAL CA C 86 61.610 61.610 61.791 -0.181 25700 1059 1 2 . 1 1 86 86 VAL CB C 86 34.210 34.210 33.245 0.965 25700 1060 1 2 . 1 1 86 86 VAL H H 86 7.963 7.963 7.426 0.537 25700 1061 1 2 . 1 1 87 87 THR N N 87 119.631 119.631 123.925 -4.294 25700 1062 1 2 . 1 1 87 87 THR HA H 87 5.551 5.551 5.457 0.094 25700 1063 1 2 . 1 1 87 87 THR C C 87 174.271 174.271 173.529 0.742 25700 1064 1 2 . 1 1 87 87 THR CA C 87 60.550 60.550 61.243 -0.693 25700 1065 1 2 . 1 1 87 87 THR CB C 87 71.350 71.350 69.946 1.404 25700 1066 1 2 . 1 1 87 87 THR H H 87 8.302 8.302 8.438 -0.136 25700 1067 1 2 . 1 1 88 88 ILE N N 88 118.811 118.811 121.497 -2.686 25700 1068 1 2 . 1 1 88 88 ILE HA H 88 4.858 4.858 4.730 0.128 25700 1069 1 2 . 1 1 88 88 ILE C C 88 174.300 174.300 173.238 1.062 25700 1070 1 2 . 1 1 88 88 ILE CA C 88 59.380 59.380 58.999 0.381 25700 1071 1 2 . 1 1 88 88 ILE CB C 88 43.170 43.170 41.983 1.187 25700 1072 1 2 . 1 1 88 88 ILE H H 88 8.986 8.986 8.759 0.227 25700 1073 1 2 . 1 1 89 89 GLN N N 89 120.806 120.806 119.006 1.800 25700 1074 1 2 . 1 1 89 89 GLN HA H 89 5.814 5.814 5.573 0.241 25700 1075 1 2 . 1 1 89 89 GLN C C 89 175.021 175.021 174.380 0.641 25700 1076 1 2 . 1 1 89 89 GLN CA C 89 54.171 54.171 54.427 -0.256 25700 1077 1 2 . 1 1 89 89 GLN CB C 89 34.262 34.262 32.624 1.638 25700 1078 1 2 . 1 1 89 89 GLN H H 89 8.481 8.481 8.049 0.432 25700 1079 1 2 . 1 1 90 90 CYS N N 90 118.531 118.531 118.462 0.069 25700 1080 1 2 . 1 1 90 90 CYS HA H 90 5.010 5.010 4.901 0.109 25700 1081 1 2 . 1 1 90 90 CYS C C 90 172.402 172.402 172.965 -0.563 25700 1082 1 2 . 1 1 90 90 CYS CA C 90 54.874 54.874 56.802 -1.928 25700 1083 1 2 . 1 1 90 90 CYS CB C 90 50.267 50.267 31.333 18.934 25700 1084 1 2 . 1 1 90 90 CYS H H 90 9.151 9.151 8.781 0.370 25700 1085 1 2 . 1 1 91 91 ASN N N 91 116.449 116.449 118.010 -1.561 25700 1086 1 2 . 1 1 91 91 ASN HA H 91 5.615 5.615 5.691 -0.076 25700 1087 1 2 . 1 1 91 91 ASN C C 91 174.994 174.994 174.263 0.731 25700 1088 1 2 . 1 1 91 91 ASN CA C 91 52.484 52.484 51.925 0.559 25700 1089 1 2 . 1 1 91 91 ASN CB C 91 43.331 43.331 41.339 1.992 25700 1090 1 2 . 1 1 91 91 ASN H H 91 8.791 8.791 8.171 0.620 25700 1091 1 2 . 1 1 92 92 LEU N N 92 123.391 123.391 122.545 0.846 25700 1092 1 2 . 1 1 92 92 LEU HA H 92 4.286 4.286 4.430 -0.144 25700 1093 1 2 . 1 1 92 92 LEU C C 92 176.188 176.188 176.678 -0.490 25700 1094 1 2 . 1 1 92 92 LEU CA C 92 54.863 54.863 55.144 -0.281 25700 1095 1 2 . 1 1 92 92 LEU CB C 92 45.064 45.064 43.360 1.704 25700 1096 1 2 . 1 1 92 92 LEU H H 92 8.597 8.597 8.522 0.075 25700 1097 1 2 . 1 1 93 93 ASP N N 93 129.020 129.020 126.722 2.298 25700 1098 1 2 . 1 1 93 93 ASP HA H 93 5.160 5.160 4.935 0.225 25700 1099 1 2 . 1 1 93 93 ASP C C 93 175.761 175.761 175.747 0.014 25700 1100 1 2 . 1 1 93 93 ASP CA C 93 50.948 50.948 50.951 -0.003 25700 1101 1 2 . 1 1 93 93 ASP CB C 93 41.136 41.136 41.941 -0.805 25700 1102 1 2 . 1 1 93 93 ASP H H 93 9.146 9.146 8.633 0.513 25700 1103 1 2 . 1 1 94 94 PRO HA H 94 4.304 4.304 4.647 -0.343 25700 1104 1 2 . 1 1 94 94 PRO C C 94 178.637 178.637 178.354 0.283 25700 1105 1 2 . 1 1 94 94 PRO CA C 94 64.830 64.830 64.930 -0.100 25700 1106 1 2 . 1 1 94 94 PRO CB C 94 32.579 32.579 32.029 0.550 25700 1107 1 2 . 1 1 95 95 GLU N N 95 116.747 116.747 116.011 0.736 25700 1108 1 2 . 1 1 95 95 GLU HA H 95 4.223 4.223 4.254 -0.031 25700 1109 1 2 . 1 1 95 95 GLU C C 95 177.994 177.994 176.934 1.060 25700 1110 1 2 . 1 1 95 95 GLU CA C 95 57.773 57.773 57.628 0.145 25700 1111 1 2 . 1 1 95 95 GLU CB C 95 29.084 29.084 28.881 0.203 25700 1112 1 2 . 1 1 95 95 GLU H H 95 8.358 8.358 8.686 -0.328 25700 1113 1 2 . 1 1 96 96 THR N N 96 109.182 109.182 110.901 -1.719 25700 1114 1 2 . 1 1 96 96 THR HA H 96 4.169 4.169 4.394 -0.225 25700 1115 1 2 . 1 1 96 96 THR C C 96 175.238 175.238 175.481 -0.243 25700 1116 1 2 . 1 1 96 96 THR CA C 96 63.038 63.038 63.660 -0.622 25700 1117 1 2 . 1 1 96 96 THR CB C 96 69.640 69.640 69.382 0.258 25700 1118 1 2 . 1 1 96 96 THR H H 96 7.951 7.951 8.309 -0.358 25700 1119 1 2 . 1 1 97 97 VAL N N 97 121.118 121.118 125.198 -4.080 25700 1120 1 2 . 1 1 97 97 VAL HA H 97 3.770 3.770 4.047 -0.277 25700 1121 1 2 . 1 1 97 97 VAL C C 97 174.851 174.851 174.036 0.815 25700 1122 1 2 . 1 1 97 97 VAL CA C 97 63.272 63.272 62.651 0.621 25700 1123 1 2 . 1 1 97 97 VAL CB C 97 30.627 30.627 28.880 1.747 25700 1124 1 2 . 1 1 97 97 VAL H H 97 7.175 7.175 7.636 -0.461 25700 1125 1 2 . 1 1 98 98 LYS N N 98 123.245 123.245 125.930 -2.685 25700 1126 1 2 . 1 1 98 98 LYS HA H 98 4.385 4.385 4.886 -0.501 25700 1127 1 2 . 1 1 98 98 LYS C C 98 175.612 175.612 176.124 -0.512 25700 1128 1 2 . 1 1 98 98 LYS CA C 98 55.812 55.812 54.843 0.969 25700 1129 1 2 . 1 1 98 98 LYS CB C 98 33.804 33.804 32.493 1.311 25700 1130 1 2 . 1 1 98 98 LYS H H 98 7.712 7.712 8.548 -0.836 25700 1131 1 2 . 1 1 99 99 LEU N N 99 122.457 122.457 118.404 4.053 25700 1132 1 2 . 1 1 99 99 LEU HA H 99 4.123 4.123 3.721 0.402 25700 1133 1 2 . 1 1 99 99 LEU C C 99 177.160 177.160 175.699 1.461 25700 1134 1 2 . 1 1 99 99 LEU CA C 99 55.309 55.309 57.710 -2.401 25700 1135 1 2 . 1 1 99 99 LEU CB C 99 42.319 42.319 40.669 1.650 25700 1136 1 2 . 1 1 99 99 LEU H H 99 8.110 8.110 8.689 -0.579 25700 1137 1 2 . 1 1 100 100 GLU N N 100 120.800 120.800 115.824 4.976 25700 1138 1 2 . 1 1 100 100 GLU HA H 100 4.151 4.151 4.751 -0.600 25700 1139 1 2 . 1 1 100 100 GLU C C 100 176.070 176.070 175.336 0.734 25700 1140 1 2 . 1 1 100 100 GLU CA C 100 56.740 56.740 54.762 1.978 25700 1141 1 2 . 1 1 100 100 GLU CB C 100 30.060 30.060 33.362 -3.303 25700 1142 1 2 . 1 1 100 100 GLU H H 100 8.340 8.340 8.067 0.273 25700 1143 1 3 . 1 1 2 2 VAL N N 2 123.080 123.080 123.266 -0.186 25700 1144 1 3 . 1 1 2 2 VAL HA H 2 4.678 4.678 4.301 0.377 25700 1145 1 3 . 1 1 2 2 VAL C C 2 171.871 171.871 174.846 -2.975 25700 1146 1 3 . 1 1 2 2 VAL CA C 2 59.500 59.500 60.667 -1.167 25700 1147 1 3 . 1 1 2 2 VAL CB C 2 34.185 34.185 33.438 0.747 25700 1148 1 3 . 1 1 2 2 VAL H H 2 8.041 8.041 8.379 -0.338 25700 1149 1 3 . 1 1 3 3 GLN N N 3 123.080 123.080 121.494 1.586 25700 1150 1 3 . 1 1 3 3 GLN HA H 3 4.660 4.660 4.768 -0.108 25700 1151 1 3 . 1 1 3 3 GLN CA C 3 54.109 54.109 53.047 1.062 25700 1152 1 3 . 1 1 3 3 GLN CB C 3 33.338 33.338 33.041 0.297 25700 1153 1 3 . 1 1 3 3 GLN H H 3 8.126 8.126 8.994 -0.868 25700 1154 1 3 . 1 1 4 4 CYS N N 4 115.260 115.260 115.936 -0.676 25700 1155 1 3 . 1 1 4 4 CYS HA H 4 5.676 5.676 5.493 0.183 25700 1156 1 3 . 1 1 4 4 CYS C C 4 171.720 171.720 173.138 -1.418 25700 1157 1 3 . 1 1 4 4 CYS CA C 4 53.402 53.402 56.544 -3.142 25700 1158 1 3 . 1 1 4 4 CYS CB C 4 45.525 45.525 31.447 14.078 25700 1159 1 3 . 1 1 4 4 CYS H H 4 8.909 8.909 8.391 0.518 25700 1160 1 3 . 1 1 5 5 GLU N N 5 117.764 117.764 120.712 -2.948 25700 1161 1 3 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.668 -0.189 25700 1162 1 3 . 1 1 5 5 GLU C C 5 174.088 174.088 174.166 -0.078 25700 1163 1 3 . 1 1 5 5 GLU CA C 5 54.838 54.838 54.885 -0.047 25700 1164 1 3 . 1 1 5 5 GLU CB C 5 34.155 34.155 32.873 1.282 25700 1165 1 3 . 1 1 5 5 GLU H H 5 8.580 8.580 9.254 -0.674 25700 1166 1 3 . 1 1 6 6 VAL N N 6 120.471 120.471 116.887 3.584 25700 1167 1 3 . 1 1 6 6 VAL HA H 6 4.427 4.427 4.323 0.104 25700 1168 1 3 . 1 1 6 6 VAL C C 6 174.211 174.211 174.462 -0.251 25700 1169 1 3 . 1 1 6 6 VAL CA C 6 61.540 61.540 60.577 0.963 25700 1170 1 3 . 1 1 6 6 VAL CB C 6 32.618 32.618 33.771 -1.153 25700 1171 1 3 . 1 1 6 6 VAL H H 6 8.588 8.588 8.280 0.308 25700 1172 1 3 . 1 1 7 7 GLU N N 7 125.816 125.816 123.151 2.665 25700 1173 1 3 . 1 1 7 7 GLU HA H 7 4.548 4.548 4.692 -0.144 25700 1174 1 3 . 1 1 7 7 GLU C C 7 174.194 174.194 175.016 -0.822 25700 1175 1 3 . 1 1 7 7 GLU CA C 7 54.524 54.524 54.398 0.126 25700 1176 1 3 . 1 1 7 7 GLU CB C 7 33.291 33.291 34.036 -0.745 25700 1177 1 3 . 1 1 7 7 GLU H H 7 8.820 8.820 8.122 0.698 25700 1178 1 3 . 1 1 8 8 ALA N N 8 122.882 122.882 122.840 0.042 25700 1179 1 3 . 1 1 8 8 ALA HA H 8 5.238 5.238 4.601 0.637 25700 1180 1 3 . 1 1 8 8 ALA C C 8 175.557 175.557 175.525 0.032 25700 1181 1 3 . 1 1 8 8 ALA CA C 8 49.950 49.950 51.212 -1.262 25700 1182 1 3 . 1 1 8 8 ALA CB C 8 22.730 22.730 21.373 1.357 25700 1183 1 3 . 1 1 8 8 ALA H H 8 8.410 8.410 8.428 -0.018 25700 1184 1 3 . 1 1 9 9 ALA N N 9 124.110 124.110 128.481 -4.371 25700 1185 1 3 . 1 1 9 9 ALA HA H 9 4.691 4.691 4.696 -0.005 25700 1186 1 3 . 1 1 9 9 ALA C C 9 176.300 176.300 175.647 0.653 25700 1187 1 3 . 1 1 9 9 ALA CA C 9 50.825 50.825 50.458 0.367 25700 1188 1 3 . 1 1 9 9 ALA CB C 9 21.240 21.240 20.296 0.944 25700 1189 1 3 . 1 1 9 9 ALA H H 9 8.407 8.407 9.065 -0.658 25700 1190 1 3 . 1 1 10 10 VAL N N 10 126.780 126.780 125.880 0.900 25700 1191 1 3 . 1 1 10 10 VAL HA H 10 4.379 4.379 4.245 0.134 25700 1192 1 3 . 1 1 10 10 VAL C C 10 175.717 175.717 175.783 -0.066 25700 1193 1 3 . 1 1 10 10 VAL CA C 10 61.580 61.580 62.949 -1.369 25700 1194 1 3 . 1 1 10 10 VAL CB C 10 32.209 32.209 32.170 0.039 25700 1195 1 3 . 1 1 10 10 VAL H H 10 8.860 8.860 8.246 0.614 25700 1196 1 3 . 1 1 11 11 SER N N 11 120.868 120.868 123.080 -2.212 25700 1197 1 3 . 1 1 11 11 SER HA H 11 4.448 4.448 4.702 -0.254 25700 1198 1 3 . 1 1 11 11 SER C C 11 175.498 175.498 174.141 1.357 25700 1199 1 3 . 1 1 11 11 SER CA C 11 57.590 57.590 56.789 0.801 25700 1200 1 3 . 1 1 11 11 SER CB C 11 64.000 64.000 65.213 -1.213 25700 1201 1 3 . 1 1 11 11 SER H H 11 8.478 8.478 8.970 -0.492 25700 1202 1 3 . 1 1 12 12 GLY N N 12 116.896 116.896 107.523 9.373 25700 1203 1 3 . 1 1 12 12 GLY C C 12 174.994 174.994 174.677 0.317 25700 1204 1 3 . 1 1 12 12 GLY CA C 12 47.515 47.515 45.931 1.584 25700 1205 1 3 . 1 1 12 12 GLY H H 12 9.120 9.120 8.452 0.668 25700 1206 1 3 . 1 1 13 13 GLY N N 13 108.984 108.984 114.273 -5.289 25700 1207 1 3 . 1 1 13 13 GLY C C 13 174.440 174.440 173.612 0.828 25700 1208 1 3 . 1 1 13 13 GLY CA C 13 45.383 45.383 44.933 0.450 25700 1209 1 3 . 1 1 13 13 GLY H H 13 8.816 8.816 8.469 0.347 25700 1210 1 3 . 1 1 14 14 HIS N N 14 118.737 118.737 119.003 -0.266 25700 1211 1 3 . 1 1 14 14 HIS HA H 14 5.458 5.458 5.224 0.234 25700 1212 1 3 . 1 1 14 14 HIS C C 14 172.243 172.243 172.816 -0.573 25700 1213 1 3 . 1 1 14 14 HIS CA C 14 54.905 54.905 55.274 -0.369 25700 1214 1 3 . 1 1 14 14 HIS CB C 14 32.311 32.311 34.002 -1.691 25700 1215 1 3 . 1 1 14 14 HIS H H 14 8.084 8.084 7.557 0.527 25700 1216 1 3 . 1 1 15 15 VAL N N 15 120.204 120.204 121.125 -0.921 25700 1217 1 3 . 1 1 15 15 VAL HA H 15 4.932 4.932 4.649 0.283 25700 1218 1 3 . 1 1 15 15 VAL C C 15 172.314 172.314 173.875 -1.561 25700 1219 1 3 . 1 1 15 15 VAL CA C 15 58.540 58.540 60.049 -1.509 25700 1220 1 3 . 1 1 15 15 VAL CB C 15 34.285 34.285 34.613 -0.328 25700 1221 1 3 . 1 1 15 15 VAL H H 15 9.369 9.369 9.245 0.124 25700 1222 1 3 . 1 1 16 16 THR N N 16 123.685 123.685 125.669 -1.984 25700 1223 1 3 . 1 1 16 16 THR HA H 16 5.220 5.220 4.947 0.273 25700 1224 1 3 . 1 1 16 16 THR C C 16 174.478 174.478 173.034 1.444 25700 1225 1 3 . 1 1 16 16 THR CA C 16 61.481 61.481 62.727 -1.246 25700 1226 1 3 . 1 1 16 16 THR CB C 16 70.017 70.017 69.132 0.885 25700 1227 1 3 . 1 1 16 16 THR H H 16 8.604 8.604 9.069 -0.465 25700 1228 1 3 . 1 1 17 17 LEU N N 17 128.958 128.958 129.288 -0.330 25700 1229 1 3 . 1 1 17 17 LEU HA H 17 5.407 5.407 4.554 0.853 25700 1230 1 3 . 1 1 17 17 LEU C C 17 174.481 174.481 174.054 0.427 25700 1231 1 3 . 1 1 17 17 LEU CA C 17 53.999 53.999 53.868 0.131 25700 1232 1 3 . 1 1 17 17 LEU CB C 17 44.108 44.108 44.677 -0.569 25700 1233 1 3 . 1 1 17 17 LEU H H 17 9.627 9.627 9.270 0.357 25700 1234 1 3 . 1 1 18 18 GLN N N 18 115.227 115.227 120.441 -5.214 25700 1235 1 3 . 1 1 18 18 GLN HA H 18 4.465 4.465 4.975 -0.510 25700 1236 1 3 . 1 1 18 18 GLN C C 18 174.042 174.042 174.420 -0.378 25700 1237 1 3 . 1 1 18 18 GLN CA C 18 53.725 53.725 54.182 -0.457 25700 1238 1 3 . 1 1 18 18 GLN CB C 18 31.767 31.767 32.685 -0.918 25700 1239 1 3 . 1 1 18 18 GLN H H 18 8.243 8.243 8.289 -0.046 25700 1240 1 3 . 1 1 19 19 GLY N N 19 107.795 107.795 108.284 -0.489 25700 1241 1 3 . 1 1 19 19 GLY C C 19 172.005 172.005 172.653 -0.648 25700 1242 1 3 . 1 1 19 19 GLY CA C 19 44.485 44.485 43.657 0.828 25700 1243 1 3 . 1 1 19 19 GLY H H 19 9.100 9.100 9.035 0.065 25700 1244 1 3 . 1 1 20 20 VAL N N 20 120.951 120.951 126.329 -5.378 25700 1245 1 3 . 1 1 20 20 VAL HA H 20 4.634 4.634 4.123 0.511 25700 1246 1 3 . 1 1 20 20 VAL C C 20 175.670 175.670 174.847 0.823 25700 1247 1 3 . 1 1 20 20 VAL CA C 20 61.380 61.380 62.233 -0.852 25700 1248 1 3 . 1 1 20 20 VAL CB C 20 33.990 33.990 33.039 0.951 25700 1249 1 3 . 1 1 20 20 VAL H H 20 8.859 8.859 8.161 0.698 25700 1250 1 3 . 1 1 21 21 ILE N N 21 129.511 129.511 130.322 -0.811 25700 1251 1 3 . 1 1 21 21 ILE HA H 21 4.443 4.443 4.555 -0.112 25700 1252 1 3 . 1 1 21 21 ILE C C 21 174.567 174.567 175.382 -0.815 25700 1253 1 3 . 1 1 21 21 ILE CA C 21 59.883 59.883 59.877 0.006 25700 1254 1 3 . 1 1 21 21 ILE CB C 21 41.152 41.152 39.414 1.738 25700 1255 1 3 . 1 1 21 21 ILE H H 21 9.304 9.304 9.195 0.109 25700 1256 1 3 . 1 1 22 22 THR N N 22 120.311 120.311 125.649 -5.338 25700 1257 1 3 . 1 1 22 22 THR HA H 22 4.479 4.479 4.745 -0.266 25700 1258 1 3 . 1 1 22 22 THR C C 22 172.996 172.996 173.384 -0.388 25700 1259 1 3 . 1 1 22 22 THR CA C 22 61.647 61.647 62.775 -1.128 25700 1260 1 3 . 1 1 22 22 THR CB C 22 70.230 70.230 69.228 1.002 25700 1261 1 3 . 1 1 22 22 THR H H 22 8.063 8.063 8.706 -0.643 25700 1262 1 3 . 1 1 23 23 ALA N N 23 104.959 104.959 129.534 -24.575 25700 1263 1 3 . 1 1 23 23 ALA HA H 23 5.056 5.056 4.711 0.345 25700 1264 1 3 . 1 1 23 23 ALA C C 23 177.722 177.722 177.183 0.539 25700 1265 1 3 . 1 1 23 23 ALA CA C 23 49.963 49.963 50.230 -0.267 25700 1266 1 3 . 1 1 23 23 ALA CB C 23 22.915 22.915 21.342 1.573 25700 1267 1 3 . 1 1 23 23 ALA H H 23 9.764 9.764 8.796 0.968 25700 1268 1 3 . 1 1 24 24 VAL N N 24 113.370 113.370 121.943 -8.573 25700 1269 1 3 . 1 1 24 24 VAL HA H 24 4.083 4.083 4.023 0.060 25700 1270 1 3 . 1 1 24 24 VAL C C 24 174.539 174.539 175.279 -0.740 25700 1271 1 3 . 1 1 24 24 VAL CA C 24 62.339 62.339 63.407 -1.068 25700 1272 1 3 . 1 1 24 24 VAL CB C 24 31.933 31.933 31.284 0.649 25700 1273 1 3 . 1 1 24 24 VAL H H 24 8.239 8.239 8.270 -0.031 25700 1274 1 3 . 1 1 25 25 ARG N N 25 116.002 116.002 118.498 -2.496 25700 1275 1 3 . 1 1 25 25 ARG HA H 25 4.740 4.740 4.503 0.237 25700 1276 1 3 . 1 1 25 25 ARG C C 25 172.797 172.797 174.786 -1.989 25700 1277 1 3 . 1 1 25 25 ARG CA C 25 53.284 53.284 53.874 -0.591 25700 1278 1 3 . 1 1 25 25 ARG CB C 25 33.542 33.542 32.993 0.548 25700 1279 1 3 . 1 1 25 25 ARG H H 25 7.308 7.308 7.739 -0.431 25700 1280 1 3 . 1 1 26 26 ASP N N 26 118.075 118.075 122.898 -4.823 25700 1281 1 3 . 1 1 26 26 ASP HA H 26 4.665 4.665 4.912 -0.247 25700 1282 1 3 . 1 1 26 26 ASP C C 26 177.721 177.721 176.270 1.451 25700 1283 1 3 . 1 1 26 26 ASP CA C 26 53.911 53.911 54.673 -0.762 25700 1284 1 3 . 1 1 26 26 ASP CB C 26 41.143 41.143 41.235 -0.092 25700 1285 1 3 . 1 1 26 26 ASP H H 26 8.301 8.301 8.495 -0.194 25700 1286 1 3 . 1 1 27 27 GLY N N 27 106.966 106.966 110.036 -3.070 25700 1287 1 3 . 1 1 27 27 GLY C C 27 170.472 170.472 172.053 -1.581 25700 1288 1 3 . 1 1 27 27 GLY CA C 27 46.213 46.213 45.106 1.107 25700 1289 1 3 . 1 1 27 27 GLY H H 27 8.276 8.276 8.762 -0.486 25700 1290 1 3 . 1 1 28 28 ALA N N 28 122.805 122.805 123.266 -0.461 25700 1291 1 3 . 1 1 28 28 ALA HA H 28 4.898 4.898 5.064 -0.166 25700 1292 1 3 . 1 1 28 28 ALA C C 28 176.720 176.720 175.486 1.234 25700 1293 1 3 . 1 1 28 28 ALA CA C 28 50.756 50.756 50.728 0.028 25700 1294 1 3 . 1 1 28 28 ALA CB C 28 21.482 21.482 21.897 -0.415 25700 1295 1 3 . 1 1 28 28 ALA H H 28 8.065 8.065 8.150 -0.085 25700 1296 1 3 . 1 1 29 29 GLY N N 29 106.538 106.538 105.848 0.690 25700 1297 1 3 . 1 1 29 29 GLY C C 29 172.866 172.866 170.681 2.185 25700 1298 1 3 . 1 1 29 29 GLY CA C 29 45.538 45.538 43.764 1.774 25700 1299 1 3 . 1 1 29 29 GLY H H 29 7.654 7.654 8.707 -1.053 25700 1300 1 3 . 1 1 30 30 SER N N 30 116.216 116.216 113.395 2.821 25700 1301 1 3 . 1 1 30 30 SER HA H 30 5.564 5.564 4.665 0.899 25700 1302 1 3 . 1 1 30 30 SER C C 30 172.216 172.216 172.631 -0.415 25700 1303 1 3 . 1 1 30 30 SER CA C 30 57.505 57.505 56.465 1.040 25700 1304 1 3 . 1 1 30 30 SER CB C 30 66.321 66.321 65.747 0.574 25700 1305 1 3 . 1 1 30 30 SER H H 30 9.185 9.185 7.763 1.422 25700 1306 1 3 . 1 1 31 31 TYR N N 31 118.467 118.467 117.042 1.425 25700 1307 1 3 . 1 1 31 31 TYR HA H 31 6.035 6.035 5.078 0.957 25700 1308 1 3 . 1 1 31 31 TYR C C 31 174.138 174.138 174.106 0.032 25700 1309 1 3 . 1 1 31 31 TYR CA C 31 55.806 55.806 56.368 -0.562 25700 1310 1 3 . 1 1 31 31 TYR CB C 31 43.091 43.091 41.569 1.522 25700 1311 1 3 . 1 1 31 31 TYR H H 31 9.215 9.215 8.627 0.588 25700 1312 1 3 . 1 1 32 32 LYS N N 32 121.086 121.086 120.816 0.270 25700 1313 1 3 . 1 1 32 32 LYS HA H 32 4.772 4.772 4.790 -0.018 25700 1314 1 3 . 1 1 32 32 LYS C C 32 173.750 173.750 174.137 -0.387 25700 1315 1 3 . 1 1 32 32 LYS CA C 32 56.495 56.495 54.885 1.610 25700 1316 1 3 . 1 1 32 32 LYS CB C 32 35.800 35.800 34.281 1.519 25700 1317 1 3 . 1 1 32 32 LYS H H 32 8.904 8.904 9.329 -0.425 25700 1318 1 3 . 1 1 33 33 LEU N N 33 128.296 128.296 127.700 0.596 25700 1319 1 3 . 1 1 33 33 LEU HA H 33 5.329 5.329 5.104 0.225 25700 1320 1 3 . 1 1 33 33 LEU C C 33 173.389 173.389 174.850 -1.461 25700 1321 1 3 . 1 1 33 33 LEU CA C 33 53.547 53.547 53.391 0.156 25700 1322 1 3 . 1 1 33 33 LEU CB C 33 45.460 45.460 44.266 1.194 25700 1323 1 3 . 1 1 33 33 LEU H H 33 9.663 9.663 9.101 0.562 25700 1324 1 3 . 1 1 34 34 ALA N N 34 129.791 129.791 130.089 -0.298 25700 1325 1 3 . 1 1 34 34 ALA HA H 34 5.419 5.419 4.862 0.557 25700 1326 1 3 . 1 1 34 34 ALA C C 34 176.313 176.313 175.110 1.203 25700 1327 1 3 . 1 1 34 34 ALA CA C 34 50.605 50.605 50.368 0.237 25700 1328 1 3 . 1 1 34 34 ALA CB C 34 21.237 21.237 22.804 -1.567 25700 1329 1 3 . 1 1 34 34 ALA H H 34 9.044 9.044 9.285 -0.241 25700 1330 1 3 . 1 1 35 35 VAL N N 35 124.532 124.532 121.057 3.475 25700 1331 1 3 . 1 1 35 35 VAL HA H 35 4.844 4.844 4.848 -0.003 25700 1332 1 3 . 1 1 35 35 VAL C C 35 173.511 173.511 174.356 -0.845 25700 1333 1 3 . 1 1 35 35 VAL CA C 35 61.113 61.113 60.227 0.886 25700 1334 1 3 . 1 1 35 35 VAL CB C 35 35.152 35.152 35.486 -0.334 25700 1335 1 3 . 1 1 35 35 VAL H H 35 9.332 9.332 9.038 0.294 25700 1336 1 3 . 1 1 36 36 ASP N N 36 127.077 127.077 125.155 1.922 25700 1337 1 3 . 1 1 36 36 ASP HA H 36 5.560 5.560 5.207 0.353 25700 1338 1 3 . 1 1 36 36 ASP C C 36 174.146 174.146 174.453 -0.307 25700 1339 1 3 . 1 1 36 36 ASP CA C 36 53.219 53.219 52.807 0.412 25700 1340 1 3 . 1 1 36 36 ASP CB C 36 44.387 44.387 44.517 -0.129 25700 1341 1 3 . 1 1 36 36 ASP H H 36 9.169 9.169 9.279 -0.110 25700 1342 1 3 . 1 1 37 37 LYS N N 37 122.568 122.568 124.824 -2.256 25700 1343 1 3 . 1 1 37 37 LYS HA H 37 4.673 4.673 5.658 -0.985 25700 1344 1 3 . 1 1 37 37 LYS C C 37 173.710 173.710 173.877 -0.167 25700 1345 1 3 . 1 1 37 37 LYS CA C 37 54.410 54.410 54.779 -0.369 25700 1346 1 3 . 1 1 37 37 LYS CB C 37 34.907 34.907 36.963 -2.056 25700 1347 1 3 . 1 1 37 37 LYS H H 37 8.665 8.665 8.925 -0.260 25700 1348 1 3 . 1 1 38 38 ALA N N 38 130.221 130.221 127.955 2.266 25700 1349 1 3 . 1 1 38 38 ALA HA H 38 4.983 4.983 5.165 -0.182 25700 1350 1 3 . 1 1 38 38 ALA C C 38 176.141 176.141 175.059 1.082 25700 1351 1 3 . 1 1 38 38 ALA CA C 38 51.093 51.093 51.413 -0.320 25700 1352 1 3 . 1 1 38 38 ALA CB C 38 21.778 21.778 22.044 -0.266 25700 1353 1 3 . 1 1 38 38 ALA H H 38 8.798 8.798 8.870 -0.072 25700 1354 1 3 . 1 1 39 39 GLY N N 39 109.328 109.328 109.660 -0.332 25700 1355 1 3 . 1 1 39 39 GLY C C 39 174.208 174.208 173.767 0.441 25700 1356 1 3 . 1 1 39 39 GLY CA C 39 44.645 44.645 45.036 -0.391 25700 1357 1 3 . 1 1 39 39 GLY H H 39 7.851 7.851 8.577 -0.726 25700 1358 1 3 . 1 1 40 40 ALA N N 40 125.088 125.088 122.003 3.085 25700 1359 1 3 . 1 1 40 40 ALA HA H 40 4.051 4.051 4.210 -0.159 25700 1360 1 3 . 1 1 40 40 ALA C C 40 178.917 178.917 178.614 0.303 25700 1361 1 3 . 1 1 40 40 ALA CA C 40 54.841 54.841 54.331 0.510 25700 1362 1 3 . 1 1 40 40 ALA CB C 40 18.293 18.293 18.549 -0.256 25700 1363 1 3 . 1 1 40 40 ALA H H 40 8.766 8.766 8.378 0.388 25700 1364 1 3 . 1 1 41 41 ALA N N 41 117.569 117.569 120.433 -2.864 25700 1365 1 3 . 1 1 41 41 ALA HA H 41 4.419 4.419 4.470 -0.051 25700 1366 1 3 . 1 1 41 41 ALA C C 41 177.136 177.136 177.616 -0.480 25700 1367 1 3 . 1 1 41 41 ALA CA C 41 51.929 51.929 51.249 0.680 25700 1368 1 3 . 1 1 41 41 ALA CB C 41 18.774 18.774 18.582 0.192 25700 1369 1 3 . 1 1 41 41 ALA H H 41 8.300 8.300 7.960 0.340 25700 1370 1 3 . 1 1 42 42 GLY N N 42 106.796 106.796 106.954 -0.158 25700 1371 1 3 . 1 1 42 42 GLY C C 42 173.379 173.379 172.427 0.952 25700 1372 1 3 . 1 1 42 42 GLY CA C 42 44.336 44.336 44.338 -0.002 25700 1373 1 3 . 1 1 42 42 GLY H H 42 7.577 7.577 7.613 -0.036 25700 1374 1 3 . 1 1 43 43 THR N N 43 116.541 116.541 113.291 3.250 25700 1375 1 3 . 1 1 43 43 THR HA H 43 5.263 5.263 5.192 0.071 25700 1376 1 3 . 1 1 43 43 THR C C 43 174.244 174.244 174.070 0.174 25700 1377 1 3 . 1 1 43 43 THR CA C 43 61.137 61.137 60.417 0.720 25700 1378 1 3 . 1 1 43 43 THR CB C 43 70.759 70.759 70.805 -0.046 25700 1379 1 3 . 1 1 43 43 THR H H 43 8.526 8.526 8.207 0.319 25700 1380 1 3 . 1 1 44 44 SER N N 44 120.903 120.903 116.638 4.265 25700 1381 1 3 . 1 1 44 44 SER HA H 44 4.759 4.759 4.774 -0.015 25700 1382 1 3 . 1 1 44 44 SER C C 44 172.241 172.241 172.695 -0.454 25700 1383 1 3 . 1 1 44 44 SER CA C 44 57.340 57.340 57.912 -0.572 25700 1384 1 3 . 1 1 44 44 SER CB C 44 65.568 65.568 65.918 -0.351 25700 1385 1 3 . 1 1 44 44 SER H H 44 8.904 8.904 9.103 -0.199 25700 1386 1 3 . 1 1 45 45 ARG N N 45 124.546 124.546 122.020 2.526 25700 1387 1 3 . 1 1 45 45 ARG HA H 45 5.489 5.489 4.852 0.637 25700 1388 1 3 . 1 1 45 45 ARG C C 45 175.520 175.520 175.791 -0.271 25700 1389 1 3 . 1 1 45 45 ARG CA C 45 55.101 55.101 54.801 0.300 25700 1390 1 3 . 1 1 45 45 ARG CB C 45 32.760 32.760 32.377 0.383 25700 1391 1 3 . 1 1 45 45 ARG H H 45 8.579 8.579 8.487 0.092 25700 1392 1 3 . 1 1 46 46 ILE N N 46 127.920 127.920 125.526 2.394 25700 1393 1 3 . 1 1 46 46 ILE HA H 46 4.460 4.460 4.333 0.127 25700 1394 1 3 . 1 1 46 46 ILE C C 46 174.450 174.450 174.572 -0.122 25700 1395 1 3 . 1 1 46 46 ILE CA C 46 60.220 60.220 60.289 -0.069 25700 1396 1 3 . 1 1 46 46 ILE CB C 46 41.290 41.290 41.092 0.198 25700 1397 1 3 . 1 1 46 46 ILE H H 46 9.344 9.344 9.245 0.099 25700 1398 1 3 . 1 1 47 47 LYS N N 47 126.061 126.061 127.699 -1.638 25700 1399 1 3 . 1 1 47 47 LYS HA H 47 5.514 5.514 4.629 0.885 25700 1400 1 3 . 1 1 47 47 LYS C C 47 175.790 175.790 174.782 1.008 25700 1401 1 3 . 1 1 47 47 LYS CA C 47 54.870 54.870 55.651 -0.781 25700 1402 1 3 . 1 1 47 47 LYS CB C 47 35.386 35.386 34.344 1.042 25700 1403 1 3 . 1 1 47 47 LYS H H 47 8.734 8.734 8.550 0.184 25700 1404 1 3 . 1 1 48 48 GLN N N 48 122.633 122.633 123.965 -1.332 25700 1405 1 3 . 1 1 48 48 GLN HA H 48 4.669 4.669 4.818 -0.149 25700 1406 1 3 . 1 1 48 48 GLN C C 48 173.659 173.659 173.846 -0.187 25700 1407 1 3 . 1 1 48 48 GLN CA C 48 54.895 54.895 54.644 0.251 25700 1408 1 3 . 1 1 48 48 GLN CB C 48 33.072 33.072 32.608 0.464 25700 1409 1 3 . 1 1 48 48 GLN H H 48 9.228 9.228 8.791 0.437 25700 1410 1 3 . 1 1 49 49 ALA N N 49 125.634 125.634 121.301 4.333 25700 1411 1 3 . 1 1 49 49 ALA HA H 49 4.544 4.544 4.807 -0.263 25700 1412 1 3 . 1 1 49 49 ALA C C 49 175.881 175.881 175.558 0.323 25700 1413 1 3 . 1 1 49 49 ALA CA C 49 50.993 50.993 51.843 -0.850 25700 1414 1 3 . 1 1 49 49 ALA CB C 49 22.620 22.620 21.471 1.149 25700 1415 1 3 . 1 1 49 49 ALA H H 49 8.557 8.557 8.389 0.168 25700 1416 1 3 . 1 1 50 50 GLY N N 50 105.483 105.483 108.170 -2.687 25700 1417 1 3 . 1 1 50 50 GLY C C 50 170.217 170.217 171.486 -1.269 25700 1418 1 3 . 1 1 50 50 GLY CA C 50 45.670 45.670 46.236 -0.566 25700 1419 1 3 . 1 1 50 50 GLY H H 50 6.865 6.865 8.201 -1.336 25700 1420 1 3 . 1 1 51 51 ALA N N 51 122.908 122.908 121.904 1.004 25700 1421 1 3 . 1 1 51 51 ALA HA H 51 5.265 5.265 4.869 0.396 25700 1422 1 3 . 1 1 51 51 ALA C C 51 176.793 176.793 175.208 1.585 25700 1423 1 3 . 1 1 51 51 ALA CA C 51 50.736 50.736 51.014 -0.278 25700 1424 1 3 . 1 1 51 51 ALA CB C 51 21.840 21.840 21.460 0.380 25700 1425 1 3 . 1 1 51 51 ALA H H 51 8.522 8.522 8.106 0.416 25700 1426 1 3 . 1 1 52 52 PHE N N 52 115.156 115.156 122.014 -6.858 25700 1427 1 3 . 1 1 52 52 PHE HA H 52 5.106 5.106 5.000 0.106 25700 1428 1 3 . 1 1 52 52 PHE C C 52 172.832 172.832 173.676 -0.844 25700 1429 1 3 . 1 1 52 52 PHE CA C 52 56.890 56.890 56.447 0.443 25700 1430 1 3 . 1 1 52 52 PHE CB C 52 42.428 42.428 43.207 -0.779 25700 1431 1 3 . 1 1 52 52 PHE H H 52 8.191 8.191 8.847 -0.656 25700 1432 1 3 . 1 1 53 53 THR N N 53 116.180 116.180 114.879 1.301 25700 1433 1 3 . 1 1 53 53 THR HA H 53 4.631 4.631 4.458 0.173 25700 1434 1 3 . 1 1 53 53 THR C C 53 172.769 172.769 173.201 -0.432 25700 1435 1 3 . 1 1 53 53 THR CA C 53 61.610 61.610 60.939 0.671 25700 1436 1 3 . 1 1 53 53 THR CB C 53 70.736 70.736 68.682 2.054 25700 1437 1 3 . 1 1 53 53 THR H H 53 8.650 8.650 6.763 1.887 25700 1438 1 3 . 1 1 54 54 ALA N N 54 127.969 127.969 127.674 0.295 25700 1439 1 3 . 1 1 54 54 ALA HA H 54 4.748 4.748 4.762 -0.014 25700 1440 1 3 . 1 1 54 54 ALA C C 54 176.369 176.369 174.998 1.371 25700 1441 1 3 . 1 1 54 54 ALA CA C 54 51.397 51.397 50.588 0.809 25700 1442 1 3 . 1 1 54 54 ALA CB C 54 22.010 22.010 22.060 -0.050 25700 1443 1 3 . 1 1 54 54 ALA H H 54 9.353 9.353 8.775 0.578 25700 1444 1 3 . 1 1 55 55 ILE N N 55 123.326 123.326 121.930 1.396 25700 1445 1 3 . 1 1 55 55 ILE HA H 55 4.391 4.391 4.330 0.061 25700 1446 1 3 . 1 1 55 55 ILE C C 55 176.079 176.079 175.713 0.366 25700 1447 1 3 . 1 1 55 55 ILE CA C 55 59.138 59.138 59.352 -0.214 25700 1448 1 3 . 1 1 55 55 ILE CB C 55 39.451 39.451 40.226 -0.775 25700 1449 1 3 . 1 1 55 55 ILE H H 55 7.856 7.856 8.644 -0.788 25700 1450 1 3 . 1 1 56 56 ALA N N 56 130.280 130.280 127.914 2.366 25700 1451 1 3 . 1 1 56 56 ALA HA H 56 3.493 3.493 4.362 -0.869 25700 1452 1 3 . 1 1 56 56 ALA C C 56 177.405 177.405 177.683 -0.278 25700 1453 1 3 . 1 1 56 56 ALA CA C 56 54.156 54.156 52.022 2.134 25700 1454 1 3 . 1 1 56 56 ALA CB C 56 18.871 18.871 19.024 -0.153 25700 1455 1 3 . 1 1 56 56 ALA H H 56 9.104 9.104 8.746 0.358 25700 1456 1 3 . 1 1 57 57 GLU N N 57 113.081 113.081 118.882 -5.801 25700 1457 1 3 . 1 1 57 57 GLU HA H 57 3.614 3.614 3.762 -0.148 25700 1458 1 3 . 1 1 57 57 GLU C C 57 174.959 174.959 174.992 -0.033 25700 1459 1 3 . 1 1 57 57 GLU CA C 57 58.080 58.080 57.514 0.566 25700 1460 1 3 . 1 1 57 57 GLU CB C 57 27.141 27.141 28.175 -1.034 25700 1461 1 3 . 1 1 57 57 GLU H H 57 9.007 9.007 8.815 0.192 25700 1462 1 3 . 1 1 58 58 GLN N N 58 119.796 119.796 117.531 2.265 25700 1463 1 3 . 1 1 58 58 GLN HA H 58 4.519 4.519 4.607 -0.088 25700 1464 1 3 . 1 1 58 58 GLN C C 58 175.217 175.217 174.728 0.489 25700 1465 1 3 . 1 1 58 58 GLN CA C 58 54.379 54.379 54.136 0.243 25700 1466 1 3 . 1 1 58 58 GLN CB C 58 30.102 30.102 31.905 -1.803 25700 1467 1 3 . 1 1 58 58 GLN H H 58 8.061 8.061 7.685 0.376 25700 1468 1 3 . 1 1 59 59 ARG N N 59 124.810 124.810 124.930 -0.120 25700 1469 1 3 . 1 1 59 59 ARG HA H 59 4.286 4.286 4.463 -0.177 25700 1470 1 3 . 1 1 59 59 ARG C C 59 176.396 176.396 175.980 0.416 25700 1471 1 3 . 1 1 59 59 ARG CA C 59 56.810 56.810 55.850 0.960 25700 1472 1 3 . 1 1 59 59 ARG CB C 59 30.906 30.906 30.512 0.394 25700 1473 1 3 . 1 1 59 59 ARG H H 59 8.486 8.486 8.628 -0.142 25700 1474 1 3 . 1 1 60 60 VAL N N 60 127.238 127.238 128.563 -1.325 25700 1475 1 3 . 1 1 60 60 VAL HA H 60 4.319 4.319 4.371 -0.052 25700 1476 1 3 . 1 1 60 60 VAL C C 60 174.543 174.543 174.857 -0.314 25700 1477 1 3 . 1 1 60 60 VAL CA C 60 61.227 61.227 61.233 -0.006 25700 1478 1 3 . 1 1 60 60 VAL CB C 60 34.177 34.177 34.209 -0.032 25700 1479 1 3 . 1 1 60 60 VAL H H 60 9.033 9.033 9.071 -0.038 25700 1480 1 3 . 1 1 61 61 THR N N 61 120.913 120.913 124.667 -3.754 25700 1481 1 3 . 1 1 61 61 THR HA H 61 5.096 5.096 4.679 0.417 25700 1482 1 3 . 1 1 61 61 THR C C 61 174.645 174.645 173.649 0.996 25700 1483 1 3 . 1 1 61 61 THR CA C 61 60.686 60.686 62.499 -1.813 25700 1484 1 3 . 1 1 61 61 THR CB C 61 69.710 69.710 69.361 0.349 25700 1485 1 3 . 1 1 61 61 THR H H 61 8.340 8.340 8.668 -0.328 25700 1486 1 3 . 1 1 62 62 VAL N N 62 117.650 117.650 126.639 -8.989 25700 1487 1 3 . 1 1 62 62 VAL HA H 62 4.294 4.294 4.143 0.151 25700 1488 1 3 . 1 1 62 62 VAL C C 62 174.530 174.530 175.127 -0.597 25700 1489 1 3 . 1 1 62 62 VAL CA C 62 58.641 58.641 60.872 -2.231 25700 1490 1 3 . 1 1 62 62 VAL CB C 62 34.263 34.263 34.712 -0.449 25700 1491 1 3 . 1 1 62 62 VAL H H 62 8.658 8.658 9.069 -0.411 25700 1492 1 3 . 1 1 63 63 GLY N N 63 107.924 107.924 113.426 -5.502 25700 1493 1 3 . 1 1 63 63 GLY C C 63 172.475 172.475 173.411 -0.936 25700 1494 1 3 . 1 1 63 63 GLY CA C 63 43.668 43.668 44.812 -1.145 25700 1495 1 3 . 1 1 63 63 GLY H H 63 7.857 7.857 8.452 -0.595 25700 1496 1 3 . 1 1 64 64 ASN N N 64 116.073 116.073 119.225 -3.152 25700 1497 1 3 . 1 1 64 64 ASN HA H 64 4.530 4.530 4.631 -0.101 25700 1498 1 3 . 1 1 64 64 ASN C C 64 173.307 173.307 174.826 -1.519 25700 1499 1 3 . 1 1 64 64 ASN CA C 64 55.380 55.380 53.022 2.358 25700 1500 1 3 . 1 1 64 64 ASN CB C 64 39.159 39.159 38.079 1.080 25700 1501 1 3 . 1 1 64 64 ASN H H 64 8.933 8.933 7.994 0.939 25700 1502 1 3 . 1 1 65 65 VAL N N 65 126.612 126.612 122.854 3.758 25700 1503 1 3 . 1 1 65 65 VAL HA H 65 4.238 4.238 4.567 -0.329 25700 1504 1 3 . 1 1 65 65 VAL C C 65 173.538 173.538 173.246 0.292 25700 1505 1 3 . 1 1 65 65 VAL CA C 65 61.970 61.970 60.047 1.923 25700 1506 1 3 . 1 1 65 65 VAL CB C 65 33.829 33.829 35.524 -1.695 25700 1507 1 3 . 1 1 65 65 VAL H H 65 8.548 8.548 8.724 -0.176 25700 1508 1 3 . 1 1 66 66 VAL N N 66 127.886 127.886 126.460 1.426 25700 1509 1 3 . 1 1 66 66 VAL HA H 66 4.990 4.990 4.563 0.427 25700 1510 1 3 . 1 1 66 66 VAL C C 66 175.271 175.271 175.436 -0.165 25700 1511 1 3 . 1 1 66 66 VAL CA C 66 61.360 61.360 61.296 0.064 25700 1512 1 3 . 1 1 66 66 VAL CB C 66 32.923 32.923 33.669 -0.746 25700 1513 1 3 . 1 1 66 66 VAL H H 66 8.364 8.364 8.345 0.019 25700 1514 1 3 . 1 1 67 67 LEU N N 67 126.454 126.454 128.263 -1.809 25700 1515 1 3 . 1 1 67 67 LEU HA H 67 4.955 4.955 4.743 0.212 25700 1516 1 3 . 1 1 67 67 LEU C C 67 176.547 176.547 175.864 0.683 25700 1517 1 3 . 1 1 67 67 LEU CA C 67 52.492 52.492 52.337 0.155 25700 1518 1 3 . 1 1 67 67 LEU CB C 67 46.685 46.685 43.602 3.083 25700 1519 1 3 . 1 1 67 67 LEU H H 67 9.050 9.050 9.196 -0.146 25700 1520 1 3 . 1 1 68 68 ASP N N 68 119.799 119.799 118.906 0.893 25700 1521 1 3 . 1 1 68 68 ASP HA H 68 4.609 4.609 4.436 0.173 25700 1522 1 3 . 1 1 68 68 ASP C C 68 176.247 176.247 175.589 0.658 25700 1523 1 3 . 1 1 68 68 ASP CA C 68 55.492 55.492 53.578 1.914 25700 1524 1 3 . 1 1 68 68 ASP CB C 68 40.566 40.566 41.701 -1.135 25700 1525 1 3 . 1 1 68 68 ASP H H 68 8.722 8.722 8.642 0.080 25700 1526 1 3 . 1 1 69 69 TYR N N 69 123.398 123.398 124.369 -0.971 25700 1527 1 3 . 1 1 69 69 TYR HA H 69 4.651 4.651 4.538 0.113 25700 1528 1 3 . 1 1 69 69 TYR C C 69 174.253 174.253 174.103 0.150 25700 1529 1 3 . 1 1 69 69 TYR CA C 69 57.767 57.767 58.246 -0.479 25700 1530 1 3 . 1 1 69 69 TYR CB C 69 40.067 40.067 38.776 1.290 25700 1531 1 3 . 1 1 69 69 TYR H H 69 8.603 8.603 7.836 0.767 25700 1532 1 3 . 1 1 70 70 SER N N 70 121.308 121.308 124.129 -2.821 25700 1533 1 3 . 1 1 70 70 SER HA H 70 4.059 4.059 4.289 -0.230 25700 1534 1 3 . 1 1 70 70 SER C C 70 174.851 174.851 174.635 0.216 25700 1535 1 3 . 1 1 70 70 SER CA C 70 56.341 56.341 56.904 -0.563 25700 1536 1 3 . 1 1 70 70 SER CB C 70 64.634 64.634 65.557 -0.923 25700 1537 1 3 . 1 1 70 70 SER H H 70 6.749 6.749 8.427 -1.678 25700 1538 1 3 . 1 1 71 71 SER N N 71 122.764 122.764 119.931 2.833 25700 1539 1 3 . 1 1 71 71 SER HA H 71 4.221 4.221 4.222 -0.001 25700 1540 1 3 . 1 1 71 71 SER C C 71 174.098 174.098 175.698 -1.600 25700 1541 1 3 . 1 1 71 71 SER CA C 71 60.326 60.326 60.740 -0.414 25700 1542 1 3 . 1 1 71 71 SER CB C 71 62.814 62.814 62.689 0.125 25700 1543 1 3 . 1 1 71 71 SER H H 71 8.907 8.907 8.455 0.452 25700 1544 1 3 . 1 1 72 72 ALA N N 72 122.199 122.199 120.883 1.316 25700 1545 1 3 . 1 1 72 72 ALA HA H 72 4.320 4.320 4.377 -0.057 25700 1546 1 3 . 1 1 72 72 ALA C C 72 177.749 177.749 177.056 0.693 25700 1547 1 3 . 1 1 72 72 ALA CA C 72 52.283 52.283 51.269 1.014 25700 1548 1 3 . 1 1 72 72 ALA CB C 72 18.950 18.950 18.260 0.690 25700 1549 1 3 . 1 1 72 72 ALA H H 72 7.869 7.869 7.986 -0.117 25700 1550 1 3 . 1 1 73 73 ASN N N 73 116.297 116.297 117.748 -1.451 25700 1551 1 3 . 1 1 73 73 ASN HA H 73 5.076 5.076 4.416 0.660 25700 1552 1 3 . 1 1 73 73 ASN C C 73 173.794 173.794 174.485 -0.691 25700 1553 1 3 . 1 1 73 73 ASN CA C 73 51.612 51.612 53.140 -1.528 25700 1554 1 3 . 1 1 73 73 ASN CB C 73 40.647 40.647 39.608 1.039 25700 1555 1 3 . 1 1 73 73 ASN H H 73 7.265 7.265 7.528 -0.263 25700 1556 1 3 . 1 1 74 74 ARG N N 74 118.937 118.937 124.461 -5.524 25700 1557 1 3 . 1 1 74 74 ARG HA H 74 4.684 4.684 4.426 0.258 25700 1558 1 3 . 1 1 74 74 ARG C C 74 174.943 174.943 174.056 0.887 25700 1559 1 3 . 1 1 74 74 ARG CA C 74 54.523 54.523 54.366 0.157 25700 1560 1 3 . 1 1 74 74 ARG CB C 74 32.331 32.331 29.909 2.422 25700 1561 1 3 . 1 1 74 74 ARG H H 74 8.529 8.529 8.559 -0.030 25700 1562 1 3 . 1 1 75 75 TYR N N 75 122.282 122.282 126.141 -3.859 25700 1563 1 3 . 1 1 75 75 TYR HA H 75 5.159 5.159 5.473 -0.314 25700 1564 1 3 . 1 1 75 75 TYR C C 75 173.593 173.593 174.290 -0.697 25700 1565 1 3 . 1 1 75 75 TYR CA C 75 57.080 57.080 56.432 0.648 25700 1566 1 3 . 1 1 75 75 TYR CB C 75 41.202 41.202 40.573 0.629 25700 1567 1 3 . 1 1 75 75 TYR H H 75 8.691 8.691 8.044 0.647 25700 1568 1 3 . 1 1 76 76 ALA N N 76 122.606 122.606 124.676 -2.070 25700 1569 1 3 . 1 1 76 76 ALA HA H 76 4.788 4.788 4.880 -0.092 25700 1570 1 3 . 1 1 76 76 ALA C C 76 175.765 175.765 174.798 0.967 25700 1571 1 3 . 1 1 76 76 ALA CA C 76 50.543 50.543 50.008 0.535 25700 1572 1 3 . 1 1 76 76 ALA CB C 76 23.070 23.070 22.989 0.081 25700 1573 1 3 . 1 1 76 76 ALA H H 76 8.688 8.688 9.261 -0.573 25700 1574 1 3 . 1 1 77 77 ALA N N 77 119.325 119.325 120.787 -1.462 25700 1575 1 3 . 1 1 77 77 ALA HA H 77 5.488 5.488 5.459 0.029 25700 1576 1 3 . 1 1 77 77 ALA C C 77 174.473 174.473 175.401 -0.928 25700 1577 1 3 . 1 1 77 77 ALA CA C 77 51.813 51.813 51.115 0.698 25700 1578 1 3 . 1 1 77 77 ALA CB C 77 24.137 24.137 22.985 1.152 25700 1579 1 3 . 1 1 77 77 ALA H H 77 8.584 8.584 8.250 0.334 25700 1580 1 3 . 1 1 78 78 ARG N N 78 122.822 122.822 118.837 3.985 25700 1581 1 3 . 1 1 78 78 ARG HA H 78 4.938 4.938 5.456 -0.518 25700 1582 1 3 . 1 1 78 78 ARG C C 78 173.170 173.170 173.963 -0.793 25700 1583 1 3 . 1 1 78 78 ARG CA C 78 54.890 54.890 55.408 -0.518 25700 1584 1 3 . 1 1 78 78 ARG CB C 78 34.467 34.467 32.692 1.775 25700 1585 1 3 . 1 1 78 78 ARG H H 78 8.807 8.807 9.177 -0.370 25700 1586 1 3 . 1 1 79 79 LEU N N 79 130.548 130.548 126.128 4.420 25700 1587 1 3 . 1 1 79 79 LEU HA H 79 5.440 5.440 5.298 0.142 25700 1588 1 3 . 1 1 79 79 LEU C C 79 173.434 173.434 174.455 -1.021 25700 1589 1 3 . 1 1 79 79 LEU CA C 79 53.186 53.186 53.353 -0.167 25700 1590 1 3 . 1 1 79 79 LEU CB C 79 45.369 45.369 45.959 -0.590 25700 1591 1 3 . 1 1 79 79 LEU H H 79 9.055 9.055 8.917 0.138 25700 1592 1 3 . 1 1 80 80 ASP N N 80 125.928 125.928 127.309 -1.381 25700 1593 1 3 . 1 1 80 80 ASP HA H 80 5.480 5.480 5.442 0.038 25700 1594 1 3 . 1 1 80 80 ASP C C 80 175.805 175.805 175.020 0.785 25700 1595 1 3 . 1 1 80 80 ASP CA C 80 53.794 53.794 52.592 1.202 25700 1596 1 3 . 1 1 80 80 ASP CB C 80 44.119 44.119 43.546 0.573 25700 1597 1 3 . 1 1 80 80 ASP H H 80 9.251 9.251 9.191 0.060 25700 1598 1 3 . 1 1 81 81 VAL N N 81 123.295 123.295 127.529 -4.234 25700 1599 1 3 . 1 1 81 81 VAL HA H 81 4.843 4.843 4.433 0.410 25700 1600 1 3 . 1 1 81 81 VAL C C 81 174.136 174.136 174.545 -0.409 25700 1601 1 3 . 1 1 81 81 VAL CA C 81 61.438 61.438 61.724 -0.286 25700 1602 1 3 . 1 1 81 81 VAL CB C 81 35.299 35.299 32.535 2.764 25700 1603 1 3 . 1 1 81 81 VAL H H 81 8.947 8.947 8.829 0.118 25700 1604 1 3 . 1 1 82 82 SER N N 82 122.698 122.698 123.337 -0.639 25700 1605 1 3 . 1 1 82 82 SER HA H 82 5.380 5.380 5.496 -0.116 25700 1606 1 3 . 1 1 82 82 SER C C 82 173.016 173.016 173.536 -0.520 25700 1607 1 3 . 1 1 82 82 SER CA C 82 57.195 57.195 56.774 0.421 25700 1608 1 3 . 1 1 82 82 SER CB C 82 64.477 64.477 64.380 0.097 25700 1609 1 3 . 1 1 82 82 SER H H 82 9.026 9.026 8.674 0.352 25700 1610 1 3 . 1 1 83 83 PHE N N 83 127.305 127.305 126.729 0.576 25700 1611 1 3 . 1 1 83 83 PHE HA H 83 4.781 4.781 4.802 -0.021 25700 1612 1 3 . 1 1 83 83 PHE C C 83 174.741 174.741 175.047 -0.306 25700 1613 1 3 . 1 1 83 83 PHE CA C 83 57.376 57.376 58.316 -0.940 25700 1614 1 3 . 1 1 83 83 PHE CB C 83 42.094 42.094 41.448 0.646 25700 1615 1 3 . 1 1 83 83 PHE H H 83 9.012 9.012 8.805 0.207 25700 1616 1 3 . 1 1 84 84 GLY N N 84 117.337 117.337 116.420 0.917 25700 1617 1 3 . 1 1 84 84 GLY C C 84 175.295 175.295 175.034 0.261 25700 1618 1 3 . 1 1 84 84 GLY CA C 84 47.086 47.086 46.527 0.559 25700 1619 1 3 . 1 1 84 84 GLY H H 84 8.784 8.784 8.410 0.374 25700 1620 1 3 . 1 1 85 85 SER N N 85 120.553 120.553 119.553 1.000 25700 1621 1 3 . 1 1 85 85 SER HA H 85 4.383 4.383 4.532 -0.149 25700 1622 1 3 . 1 1 85 85 SER C C 85 173.796 173.796 174.764 -0.968 25700 1623 1 3 . 1 1 85 85 SER CA C 85 59.095 59.095 58.288 0.807 25700 1624 1 3 . 1 1 85 85 SER CB C 85 63.360 63.360 64.522 -1.162 25700 1625 1 3 . 1 1 85 85 SER H H 85 8.687 8.687 8.414 0.273 25700 1626 1 3 . 1 1 86 86 VAL N N 86 121.297 121.297 123.701 -2.404 25700 1627 1 3 . 1 1 86 86 VAL HA H 86 4.504 4.504 4.305 0.199 25700 1628 1 3 . 1 1 86 86 VAL C C 86 174.888 174.888 173.811 1.077 25700 1629 1 3 . 1 1 86 86 VAL CA C 86 61.610 61.610 61.981 -0.371 25700 1630 1 3 . 1 1 86 86 VAL CB C 86 34.210 34.210 33.198 1.012 25700 1631 1 3 . 1 1 86 86 VAL H H 86 7.963 7.963 7.768 0.195 25700 1632 1 3 . 1 1 87 87 THR N N 87 119.631 119.631 123.773 -4.142 25700 1633 1 3 . 1 1 87 87 THR HA H 87 5.551 5.551 5.464 0.087 25700 1634 1 3 . 1 1 87 87 THR C C 87 174.271 174.271 173.648 0.623 25700 1635 1 3 . 1 1 87 87 THR CA C 87 60.550 60.550 61.782 -1.232 25700 1636 1 3 . 1 1 87 87 THR CB C 87 71.350 71.350 69.855 1.496 25700 1637 1 3 . 1 1 87 87 THR H H 87 8.302 8.302 8.447 -0.145 25700 1638 1 3 . 1 1 88 88 ILE N N 88 118.811 118.811 121.681 -2.870 25700 1639 1 3 . 1 1 88 88 ILE HA H 88 4.858 4.858 4.766 0.092 25700 1640 1 3 . 1 1 88 88 ILE C C 88 174.300 174.300 172.850 1.450 25700 1641 1 3 . 1 1 88 88 ILE CA C 88 59.380 59.380 59.448 -0.068 25700 1642 1 3 . 1 1 88 88 ILE CB C 88 43.170 43.170 41.640 1.530 25700 1643 1 3 . 1 1 88 88 ILE H H 88 8.986 8.986 8.847 0.139 25700 1644 1 3 . 1 1 89 89 GLN N N 89 120.806 120.806 120.890 -0.084 25700 1645 1 3 . 1 1 89 89 GLN HA H 89 5.814 5.814 5.682 0.132 25700 1646 1 3 . 1 1 89 89 GLN C C 89 175.021 175.021 174.709 0.312 25700 1647 1 3 . 1 1 89 89 GLN CA C 89 54.171 54.171 54.765 -0.594 25700 1648 1 3 . 1 1 89 89 GLN CB C 89 34.262 34.262 32.602 1.661 25700 1649 1 3 . 1 1 89 89 GLN H H 89 8.481 8.481 8.442 0.039 25700 1650 1 3 . 1 1 90 90 CYS N N 90 118.531 118.531 120.627 -2.096 25700 1651 1 3 . 1 1 90 90 CYS HA H 90 5.010 5.010 5.027 -0.017 25700 1652 1 3 . 1 1 90 90 CYS C C 90 172.402 172.402 172.638 -0.236 25700 1653 1 3 . 1 1 90 90 CYS CA C 90 54.874 54.874 56.736 -1.862 25700 1654 1 3 . 1 1 90 90 CYS CB C 90 50.267 50.267 30.912 19.355 25700 1655 1 3 . 1 1 90 90 CYS H H 90 9.151 9.151 8.894 0.257 25700 1656 1 3 . 1 1 91 91 ASN N N 91 116.449 116.449 118.460 -2.011 25700 1657 1 3 . 1 1 91 91 ASN HA H 91 5.615 5.615 5.547 0.068 25700 1658 1 3 . 1 1 91 91 ASN C C 91 174.994 174.994 173.826 1.168 25700 1659 1 3 . 1 1 91 91 ASN CA C 91 52.484 52.484 51.991 0.493 25700 1660 1 3 . 1 1 91 91 ASN CB C 91 43.331 43.331 40.825 2.506 25700 1661 1 3 . 1 1 91 91 ASN H H 91 8.791 8.791 8.467 0.324 25700 1662 1 3 . 1 1 92 92 LEU N N 92 123.391 123.391 121.578 1.813 25700 1663 1 3 . 1 1 92 92 LEU HA H 92 4.286 4.286 4.442 -0.156 25700 1664 1 3 . 1 1 92 92 LEU C C 92 176.188 176.188 176.161 0.027 25700 1665 1 3 . 1 1 92 92 LEU CA C 92 54.863 54.863 54.726 0.137 25700 1666 1 3 . 1 1 92 92 LEU CB C 92 45.064 45.064 43.560 1.504 25700 1667 1 3 . 1 1 92 92 LEU H H 92 8.597 8.597 8.792 -0.195 25700 1668 1 3 . 1 1 93 93 ASP N N 93 129.020 129.020 126.227 2.793 25700 1669 1 3 . 1 1 93 93 ASP HA H 93 5.160 5.160 4.949 0.211 25700 1670 1 3 . 1 1 93 93 ASP C C 93 175.761 175.761 175.445 0.316 25700 1671 1 3 . 1 1 93 93 ASP CA C 93 50.948 50.948 50.963 -0.015 25700 1672 1 3 . 1 1 93 93 ASP CB C 93 41.136 41.136 42.644 -1.508 25700 1673 1 3 . 1 1 93 93 ASP H H 93 9.146 9.146 8.679 0.467 25700 1674 1 3 . 1 1 94 94 PRO HA H 94 4.304 4.304 4.761 -0.457 25700 1675 1 3 . 1 1 94 94 PRO C C 94 178.637 178.637 178.465 0.172 25700 1676 1 3 . 1 1 94 94 PRO CA C 94 64.830 64.830 64.444 0.386 25700 1677 1 3 . 1 1 94 94 PRO CB C 94 32.579 32.579 32.241 0.338 25700 1678 1 3 . 1 1 95 95 GLU N N 95 116.747 116.747 117.625 -0.878 25700 1679 1 3 . 1 1 95 95 GLU HA H 95 4.223 4.223 4.339 -0.116 25700 1680 1 3 . 1 1 95 95 GLU C C 95 177.994 177.994 177.716 0.278 25700 1681 1 3 . 1 1 95 95 GLU CA C 95 57.773 57.773 57.649 0.124 25700 1682 1 3 . 1 1 95 95 GLU CB C 95 29.084 29.084 29.453 -0.369 25700 1683 1 3 . 1 1 95 95 GLU H H 95 8.358 8.358 8.628 -0.270 25700 1684 1 3 . 1 1 96 96 THR N N 96 109.182 109.182 109.851 -0.669 25700 1685 1 3 . 1 1 96 96 THR HA H 96 4.169 4.169 4.506 -0.337 25700 1686 1 3 . 1 1 96 96 THR C C 96 175.238 175.238 175.872 -0.634 25700 1687 1 3 . 1 1 96 96 THR CA C 96 63.038 63.038 63.212 -0.175 25700 1688 1 3 . 1 1 96 96 THR CB C 96 69.640 69.640 69.448 0.192 25700 1689 1 3 . 1 1 96 96 THR H H 96 7.951 7.951 7.876 0.075 25700 1690 1 3 . 1 1 97 97 VAL N N 97 121.118 121.118 120.047 1.071 25700 1691 1 3 . 1 1 97 97 VAL HA H 97 3.770 3.770 3.832 -0.062 25700 1692 1 3 . 1 1 97 97 VAL C C 97 174.851 174.851 176.080 -1.229 25700 1693 1 3 . 1 1 97 97 VAL CA C 97 63.272 63.272 64.304 -1.032 25700 1694 1 3 . 1 1 97 97 VAL CB C 97 30.627 30.627 31.520 -0.893 25700 1695 1 3 . 1 1 97 97 VAL H H 97 7.175 7.175 7.322 -0.147 25700 1696 1 3 . 1 1 98 98 LYS N N 98 123.245 123.245 121.568 1.677 25700 1697 1 3 . 1 1 98 98 LYS HA H 98 4.385 4.385 4.256 0.129 25700 1698 1 3 . 1 1 98 98 LYS C C 98 175.612 175.612 176.438 -0.826 25700 1699 1 3 . 1 1 98 98 LYS CA C 98 55.812 55.812 56.859 -1.047 25700 1700 1 3 . 1 1 98 98 LYS CB C 98 33.804 33.804 30.552 3.252 25700 1701 1 3 . 1 1 98 98 LYS H H 98 7.712 7.712 7.946 -0.234 25700 1702 1 3 . 1 1 99 99 LEU N N 99 122.457 122.457 119.266 3.191 25700 1703 1 3 . 1 1 99 99 LEU HA H 99 4.123 4.123 3.696 0.427 25700 1704 1 3 . 1 1 99 99 LEU C C 99 177.160 177.160 177.133 0.027 25700 1705 1 3 . 1 1 99 99 LEU CA C 99 55.309 55.309 58.712 -3.403 25700 1706 1 3 . 1 1 99 99 LEU CB C 99 42.319 42.319 40.380 1.939 25700 1707 1 3 . 1 1 99 99 LEU H H 99 8.110 8.110 9.170 -1.060 25700 1708 1 3 . 1 1 100 100 GLU N N 100 120.800 120.800 115.778 5.022 25700 1709 1 3 . 1 1 100 100 GLU HA H 100 4.151 4.151 4.370 -0.219 25700 1710 1 3 . 1 1 100 100 GLU C C 100 176.070 176.070 175.969 0.101 25700 1711 1 3 . 1 1 100 100 GLU CA C 100 56.740 56.740 56.327 0.413 25700 1712 1 3 . 1 1 100 100 GLU CB C 100 30.060 30.060 33.299 -3.239 25700 1713 1 3 . 1 1 100 100 GLU H H 100 8.340 8.340 8.402 -0.062 25700 1714 1 4 . 1 1 2 2 VAL N N 2 123.080 123.080 126.840 -3.760 25700 1715 1 4 . 1 1 2 2 VAL HA H 2 4.678 4.678 4.272 0.406 25700 1716 1 4 . 1 1 2 2 VAL C C 2 171.871 171.871 175.067 -3.196 25700 1717 1 4 . 1 1 2 2 VAL CA C 2 59.500 59.500 61.675 -2.175 25700 1718 1 4 . 1 1 2 2 VAL CB C 2 34.185 34.185 33.013 1.172 25700 1719 1 4 . 1 1 2 2 VAL H H 2 8.041 8.041 8.562 -0.521 25700 1720 1 4 . 1 1 3 3 GLN N N 3 123.080 123.080 122.406 0.674 25700 1721 1 4 . 1 1 3 3 GLN HA H 3 4.660 4.660 4.672 -0.012 25700 1722 1 4 . 1 1 3 3 GLN CA C 3 54.109 54.109 53.193 0.916 25700 1723 1 4 . 1 1 3 3 GLN CB C 3 33.338 33.338 33.332 0.006 25700 1724 1 4 . 1 1 3 3 GLN H H 3 8.126 8.126 8.925 -0.799 25700 1725 1 4 . 1 1 4 4 CYS N N 4 115.260 115.260 117.083 -1.823 25700 1726 1 4 . 1 1 4 4 CYS HA H 4 5.676 5.676 5.248 0.428 25700 1727 1 4 . 1 1 4 4 CYS C C 4 171.720 171.720 172.873 -1.153 25700 1728 1 4 . 1 1 4 4 CYS CA C 4 53.402 53.402 56.901 -3.499 25700 1729 1 4 . 1 1 4 4 CYS CB C 4 45.525 45.525 31.058 14.467 25700 1730 1 4 . 1 1 4 4 CYS H H 4 8.909 8.909 8.451 0.458 25700 1731 1 4 . 1 1 5 5 GLU N N 5 117.764 117.764 121.101 -3.337 25700 1732 1 4 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.761 -0.282 25700 1733 1 4 . 1 1 5 5 GLU C C 5 174.088 174.088 174.086 0.002 25700 1734 1 4 . 1 1 5 5 GLU CA C 5 54.838 54.838 54.531 0.307 25700 1735 1 4 . 1 1 5 5 GLU CB C 5 34.155 34.155 34.201 -0.046 25700 1736 1 4 . 1 1 5 5 GLU H H 5 8.580 8.580 8.942 -0.362 25700 1737 1 4 . 1 1 6 6 VAL N N 6 120.471 120.471 115.702 4.769 25700 1738 1 4 . 1 1 6 6 VAL HA H 6 4.427 4.427 4.359 0.068 25700 1739 1 4 . 1 1 6 6 VAL C C 6 174.211 174.211 174.359 -0.148 25700 1740 1 4 . 1 1 6 6 VAL CA C 6 61.540 61.540 60.413 1.127 25700 1741 1 4 . 1 1 6 6 VAL CB C 6 32.618 32.618 32.891 -0.273 25700 1742 1 4 . 1 1 6 6 VAL H H 6 8.588 8.588 8.217 0.371 25700 1743 1 4 . 1 1 7 7 GLU N N 7 125.816 125.816 125.371 0.445 25700 1744 1 4 . 1 1 7 7 GLU HA H 7 4.548 4.548 4.789 -0.241 25700 1745 1 4 . 1 1 7 7 GLU C C 7 174.194 174.194 174.830 -0.636 25700 1746 1 4 . 1 1 7 7 GLU CA C 7 54.524 54.524 54.177 0.347 25700 1747 1 4 . 1 1 7 7 GLU CB C 7 33.291 33.291 33.943 -0.652 25700 1748 1 4 . 1 1 7 7 GLU H H 7 8.820 8.820 8.870 -0.050 25700 1749 1 4 . 1 1 8 8 ALA N N 8 122.882 122.882 123.041 -0.159 25700 1750 1 4 . 1 1 8 8 ALA HA H 8 5.238 5.238 4.656 0.582 25700 1751 1 4 . 1 1 8 8 ALA C C 8 175.557 175.557 175.704 -0.147 25700 1752 1 4 . 1 1 8 8 ALA CA C 8 49.950 49.950 51.106 -1.156 25700 1753 1 4 . 1 1 8 8 ALA CB C 8 22.730 22.730 21.174 1.556 25700 1754 1 4 . 1 1 8 8 ALA H H 8 8.410 8.410 8.504 -0.094 25700 1755 1 4 . 1 1 9 9 ALA N N 9 124.110 124.110 128.495 -4.385 25700 1756 1 4 . 1 1 9 9 ALA HA H 9 4.691 4.691 4.752 -0.061 25700 1757 1 4 . 1 1 9 9 ALA C C 9 176.300 176.300 175.682 0.618 25700 1758 1 4 . 1 1 9 9 ALA CA C 9 50.825 50.825 50.515 0.310 25700 1759 1 4 . 1 1 9 9 ALA CB C 9 21.240 21.240 20.259 0.981 25700 1760 1 4 . 1 1 9 9 ALA H H 9 8.407 8.407 9.092 -0.685 25700 1761 1 4 . 1 1 10 10 VAL N N 10 126.780 126.780 125.831 0.949 25700 1762 1 4 . 1 1 10 10 VAL HA H 10 4.379 4.379 3.930 0.449 25700 1763 1 4 . 1 1 10 10 VAL C C 10 175.717 175.717 175.613 0.104 25700 1764 1 4 . 1 1 10 10 VAL CA C 10 61.580 61.580 63.177 -1.597 25700 1765 1 4 . 1 1 10 10 VAL CB C 10 32.209 32.209 32.017 0.193 25700 1766 1 4 . 1 1 10 10 VAL H H 10 8.860 8.860 8.560 0.300 25700 1767 1 4 . 1 1 11 11 SER N N 11 120.868 120.868 123.391 -2.523 25700 1768 1 4 . 1 1 11 11 SER HA H 11 4.448 4.448 4.699 -0.251 25700 1769 1 4 . 1 1 11 11 SER C C 11 175.498 175.498 174.157 1.341 25700 1770 1 4 . 1 1 11 11 SER CA C 11 57.590 57.590 56.751 0.840 25700 1771 1 4 . 1 1 11 11 SER CB C 11 64.000 64.000 65.200 -1.200 25700 1772 1 4 . 1 1 11 11 SER H H 11 8.478 8.478 8.859 -0.381 25700 1773 1 4 . 1 1 12 12 GLY N N 12 116.896 116.896 108.462 8.434 25700 1774 1 4 . 1 1 12 12 GLY C C 12 174.994 174.994 174.616 0.378 25700 1775 1 4 . 1 1 12 12 GLY CA C 12 47.515 47.515 45.776 1.739 25700 1776 1 4 . 1 1 12 12 GLY H H 12 9.120 9.120 8.472 0.648 25700 1777 1 4 . 1 1 13 13 GLY N N 13 108.984 108.984 113.318 -4.334 25700 1778 1 4 . 1 1 13 13 GLY C C 13 174.440 174.440 173.397 1.043 25700 1779 1 4 . 1 1 13 13 GLY CA C 13 45.383 45.383 45.034 0.349 25700 1780 1 4 . 1 1 13 13 GLY H H 13 8.816 8.816 8.094 0.722 25700 1781 1 4 . 1 1 14 14 HIS N N 14 118.737 118.737 119.658 -0.921 25700 1782 1 4 . 1 1 14 14 HIS HA H 14 5.458 5.458 5.390 0.068 25700 1783 1 4 . 1 1 14 14 HIS C C 14 172.243 172.243 173.259 -1.016 25700 1784 1 4 . 1 1 14 14 HIS CA C 14 54.905 54.905 55.196 -0.291 25700 1785 1 4 . 1 1 14 14 HIS CB C 14 32.311 32.311 33.749 -1.438 25700 1786 1 4 . 1 1 14 14 HIS H H 14 8.084 8.084 7.510 0.574 25700 1787 1 4 . 1 1 15 15 VAL N N 15 120.204 120.204 124.683 -4.479 25700 1788 1 4 . 1 1 15 15 VAL HA H 15 4.932 4.932 4.663 0.269 25700 1789 1 4 . 1 1 15 15 VAL C C 15 172.314 172.314 174.163 -1.849 25700 1790 1 4 . 1 1 15 15 VAL CA C 15 58.540 58.540 59.954 -1.414 25700 1791 1 4 . 1 1 15 15 VAL CB C 15 34.285 34.285 33.940 0.345 25700 1792 1 4 . 1 1 15 15 VAL H H 15 9.369 9.369 9.133 0.236 25700 1793 1 4 . 1 1 16 16 THR N N 16 123.685 123.685 126.271 -2.586 25700 1794 1 4 . 1 1 16 16 THR HA H 16 5.220 5.220 5.005 0.215 25700 1795 1 4 . 1 1 16 16 THR C C 16 174.478 174.478 173.051 1.427 25700 1796 1 4 . 1 1 16 16 THR CA C 16 61.481 61.481 62.989 -1.508 25700 1797 1 4 . 1 1 16 16 THR CB C 16 70.017 70.017 69.349 0.668 25700 1798 1 4 . 1 1 16 16 THR H H 16 8.604 8.604 9.190 -0.586 25700 1799 1 4 . 1 1 17 17 LEU N N 17 128.958 128.958 129.439 -0.481 25700 1800 1 4 . 1 1 17 17 LEU HA H 17 5.407 5.407 4.791 0.616 25700 1801 1 4 . 1 1 17 17 LEU C C 17 174.481 174.481 174.407 0.074 25700 1802 1 4 . 1 1 17 17 LEU CA C 17 53.999 53.999 54.075 -0.076 25700 1803 1 4 . 1 1 17 17 LEU CB C 17 44.108 44.108 44.774 -0.666 25700 1804 1 4 . 1 1 17 17 LEU H H 17 9.627 9.627 9.180 0.447 25700 1805 1 4 . 1 1 18 18 GLN N N 18 115.227 115.227 122.016 -6.789 25700 1806 1 4 . 1 1 18 18 GLN HA H 18 4.465 4.465 5.117 -0.652 25700 1807 1 4 . 1 1 18 18 GLN C C 18 174.042 174.042 174.687 -0.645 25700 1808 1 4 . 1 1 18 18 GLN CA C 18 53.725 53.725 54.107 -0.382 25700 1809 1 4 . 1 1 18 18 GLN CB C 18 31.767 31.767 34.407 -2.640 25700 1810 1 4 . 1 1 18 18 GLN H H 18 8.243 8.243 8.457 -0.214 25700 1811 1 4 . 1 1 19 19 GLY N N 19 107.795 107.795 108.703 -0.908 25700 1812 1 4 . 1 1 19 19 GLY C C 19 172.005 172.005 172.516 -0.511 25700 1813 1 4 . 1 1 19 19 GLY CA C 19 44.485 44.485 43.701 0.784 25700 1814 1 4 . 1 1 19 19 GLY H H 19 9.100 9.100 9.053 0.047 25700 1815 1 4 . 1 1 20 20 VAL N N 20 120.951 120.951 127.202 -6.251 25700 1816 1 4 . 1 1 20 20 VAL HA H 20 4.634 4.634 4.124 0.510 25700 1817 1 4 . 1 1 20 20 VAL C C 20 175.670 175.670 175.139 0.531 25700 1818 1 4 . 1 1 20 20 VAL CA C 20 61.380 61.380 62.160 -0.780 25700 1819 1 4 . 1 1 20 20 VAL CB C 20 33.990 33.990 31.999 1.991 25700 1820 1 4 . 1 1 20 20 VAL H H 20 8.859 8.859 8.617 0.242 25700 1821 1 4 . 1 1 21 21 ILE N N 21 129.511 129.511 130.776 -1.265 25700 1822 1 4 . 1 1 21 21 ILE HA H 21 4.443 4.443 4.485 -0.042 25700 1823 1 4 . 1 1 21 21 ILE C C 21 174.567 174.567 175.639 -1.072 25700 1824 1 4 . 1 1 21 21 ILE CA C 21 59.883 59.883 60.387 -0.504 25700 1825 1 4 . 1 1 21 21 ILE CB C 21 41.152 41.152 38.663 2.489 25700 1826 1 4 . 1 1 21 21 ILE H H 21 9.304 9.304 9.256 0.048 25700 1827 1 4 . 1 1 22 22 THR N N 22 120.311 120.311 125.542 -5.231 25700 1828 1 4 . 1 1 22 22 THR HA H 22 4.479 4.479 4.853 -0.374 25700 1829 1 4 . 1 1 22 22 THR C C 22 172.996 172.996 173.405 -0.409 25700 1830 1 4 . 1 1 22 22 THR CA C 22 61.647 61.647 62.646 -0.999 25700 1831 1 4 . 1 1 22 22 THR CB C 22 70.230 70.230 69.534 0.696 25700 1832 1 4 . 1 1 22 22 THR H H 22 8.063 8.063 8.506 -0.443 25700 1833 1 4 . 1 1 23 23 ALA N N 23 104.959 104.959 129.666 -24.707 25700 1834 1 4 . 1 1 23 23 ALA HA H 23 5.056 5.056 4.756 0.300 25700 1835 1 4 . 1 1 23 23 ALA C C 23 177.722 177.722 177.034 0.688 25700 1836 1 4 . 1 1 23 23 ALA CA C 23 49.963 49.963 50.220 -0.257 25700 1837 1 4 . 1 1 23 23 ALA CB C 23 22.915 22.915 21.284 1.631 25700 1838 1 4 . 1 1 23 23 ALA H H 23 9.764 9.764 8.832 0.932 25700 1839 1 4 . 1 1 24 24 VAL N N 24 113.370 113.370 122.140 -8.770 25700 1840 1 4 . 1 1 24 24 VAL HA H 24 4.083 4.083 4.009 0.074 25700 1841 1 4 . 1 1 24 24 VAL C C 24 174.539 174.539 175.076 -0.537 25700 1842 1 4 . 1 1 24 24 VAL CA C 24 62.339 62.339 63.482 -1.143 25700 1843 1 4 . 1 1 24 24 VAL CB C 24 31.933 31.933 31.387 0.546 25700 1844 1 4 . 1 1 24 24 VAL H H 24 8.239 8.239 8.272 -0.033 25700 1845 1 4 . 1 1 25 25 ARG N N 25 116.002 116.002 118.782 -2.780 25700 1846 1 4 . 1 1 25 25 ARG HA H 25 4.740 4.740 4.561 0.179 25700 1847 1 4 . 1 1 25 25 ARG C C 25 172.797 172.797 174.501 -1.704 25700 1848 1 4 . 1 1 25 25 ARG CA C 25 53.284 53.284 54.046 -0.762 25700 1849 1 4 . 1 1 25 25 ARG CB C 25 33.542 33.542 33.068 0.474 25700 1850 1 4 . 1 1 25 25 ARG H H 25 7.308 7.308 7.700 -0.392 25700 1851 1 4 . 1 1 26 26 ASP N N 26 118.075 118.075 121.462 -3.387 25700 1852 1 4 . 1 1 26 26 ASP HA H 26 4.665 4.665 5.005 -0.340 25700 1853 1 4 . 1 1 26 26 ASP C C 26 177.721 177.721 175.995 1.726 25700 1854 1 4 . 1 1 26 26 ASP CA C 26 53.911 53.911 53.691 0.221 25700 1855 1 4 . 1 1 26 26 ASP CB C 26 41.143 41.143 41.549 -0.406 25700 1856 1 4 . 1 1 26 26 ASP H H 26 8.301 8.301 8.339 -0.038 25700 1857 1 4 . 1 1 27 27 GLY N N 27 106.966 106.966 109.404 -2.438 25700 1858 1 4 . 1 1 27 27 GLY C C 27 170.472 170.472 172.095 -1.623 25700 1859 1 4 . 1 1 27 27 GLY CA C 27 46.213 46.213 45.301 0.912 25700 1860 1 4 . 1 1 27 27 GLY H H 27 8.276 8.276 8.980 -0.704 25700 1861 1 4 . 1 1 28 28 ALA N N 28 122.805 122.805 123.170 -0.365 25700 1862 1 4 . 1 1 28 28 ALA HA H 28 4.898 4.898 4.953 -0.055 25700 1863 1 4 . 1 1 28 28 ALA C C 28 176.720 176.720 175.697 1.023 25700 1864 1 4 . 1 1 28 28 ALA CA C 28 50.756 50.756 51.103 -0.347 25700 1865 1 4 . 1 1 28 28 ALA CB C 28 21.482 21.482 21.561 -0.079 25700 1866 1 4 . 1 1 28 28 ALA H H 28 8.065 8.065 8.144 -0.079 25700 1867 1 4 . 1 1 29 29 GLY N N 29 106.538 106.538 107.975 -1.437 25700 1868 1 4 . 1 1 29 29 GLY C C 29 172.866 172.866 171.194 1.672 25700 1869 1 4 . 1 1 29 29 GLY CA C 29 45.538 45.538 43.014 2.524 25700 1870 1 4 . 1 1 29 29 GLY H H 29 7.654 7.654 8.536 -0.882 25700 1871 1 4 . 1 1 30 30 SER N N 30 116.216 116.216 113.778 2.438 25700 1872 1 4 . 1 1 30 30 SER HA H 30 5.564 5.564 4.559 1.005 25700 1873 1 4 . 1 1 30 30 SER C C 30 172.216 172.216 172.491 -0.275 25700 1874 1 4 . 1 1 30 30 SER CA C 30 57.505 57.505 56.819 0.686 25700 1875 1 4 . 1 1 30 30 SER CB C 30 66.321 66.321 65.666 0.655 25700 1876 1 4 . 1 1 30 30 SER H H 30 9.185 9.185 7.589 1.596 25700 1877 1 4 . 1 1 31 31 TYR N N 31 118.467 118.467 116.881 1.586 25700 1878 1 4 . 1 1 31 31 TYR HA H 31 6.035 6.035 5.033 1.002 25700 1879 1 4 . 1 1 31 31 TYR C C 31 174.138 174.138 173.842 0.296 25700 1880 1 4 . 1 1 31 31 TYR CA C 31 55.806 55.806 56.360 -0.554 25700 1881 1 4 . 1 1 31 31 TYR CB C 31 43.091 43.091 41.239 1.852 25700 1882 1 4 . 1 1 31 31 TYR H H 31 9.215 9.215 8.723 0.492 25700 1883 1 4 . 1 1 32 32 LYS N N 32 121.086 121.086 120.525 0.561 25700 1884 1 4 . 1 1 32 32 LYS HA H 32 4.772 4.772 4.939 -0.167 25700 1885 1 4 . 1 1 32 32 LYS C C 32 173.750 173.750 174.322 -0.572 25700 1886 1 4 . 1 1 32 32 LYS CA C 32 56.495 56.495 55.124 1.371 25700 1887 1 4 . 1 1 32 32 LYS CB C 32 35.800 35.800 34.292 1.508 25700 1888 1 4 . 1 1 32 32 LYS H H 32 8.904 8.904 9.392 -0.488 25700 1889 1 4 . 1 1 33 33 LEU N N 33 128.296 128.296 127.127 1.169 25700 1890 1 4 . 1 1 33 33 LEU HA H 33 5.329 5.329 5.067 0.262 25700 1891 1 4 . 1 1 33 33 LEU C C 33 173.389 173.389 174.137 -0.748 25700 1892 1 4 . 1 1 33 33 LEU CA C 33 53.547 53.547 52.785 0.763 25700 1893 1 4 . 1 1 33 33 LEU CB C 33 45.460 45.460 45.052 0.408 25700 1894 1 4 . 1 1 33 33 LEU H H 33 9.663 9.663 9.138 0.525 25700 1895 1 4 . 1 1 34 34 ALA N N 34 129.791 129.791 129.526 0.265 25700 1896 1 4 . 1 1 34 34 ALA HA H 34 5.419 5.419 5.233 0.186 25700 1897 1 4 . 1 1 34 34 ALA C C 34 176.313 176.313 175.369 0.944 25700 1898 1 4 . 1 1 34 34 ALA CA C 34 50.605 50.605 50.000 0.605 25700 1899 1 4 . 1 1 34 34 ALA CB C 34 21.237 21.237 22.562 -1.325 25700 1900 1 4 . 1 1 34 34 ALA H H 34 9.044 9.044 9.229 -0.185 25700 1901 1 4 . 1 1 35 35 VAL N N 35 124.532 124.532 122.358 2.174 25700 1902 1 4 . 1 1 35 35 VAL HA H 35 4.844 4.844 4.627 0.217 25700 1903 1 4 . 1 1 35 35 VAL C C 35 173.511 173.511 174.321 -0.810 25700 1904 1 4 . 1 1 35 35 VAL CA C 35 61.113 61.113 60.952 0.161 25700 1905 1 4 . 1 1 35 35 VAL CB C 35 35.152 35.152 35.049 0.103 25700 1906 1 4 . 1 1 35 35 VAL H H 35 9.332 9.332 8.791 0.541 25700 1907 1 4 . 1 1 36 36 ASP N N 36 127.077 127.077 127.304 -0.227 25700 1908 1 4 . 1 1 36 36 ASP HA H 36 5.560 5.560 5.601 -0.041 25700 1909 1 4 . 1 1 36 36 ASP C C 36 174.146 174.146 175.333 -1.187 25700 1910 1 4 . 1 1 36 36 ASP CA C 36 53.219 53.219 53.323 -0.104 25700 1911 1 4 . 1 1 36 36 ASP CB C 36 44.387 44.387 44.084 0.303 25700 1912 1 4 . 1 1 36 36 ASP H H 36 9.169 9.169 9.182 -0.013 25700 1913 1 4 . 1 1 37 37 LYS N N 37 122.568 122.568 124.210 -1.642 25700 1914 1 4 . 1 1 37 37 LYS HA H 37 4.673 4.673 5.060 -0.387 25700 1915 1 4 . 1 1 37 37 LYS C C 37 173.710 173.710 175.753 -2.043 25700 1916 1 4 . 1 1 37 37 LYS CA C 37 54.410 54.410 55.551 -1.141 25700 1917 1 4 . 1 1 37 37 LYS CB C 37 34.907 34.907 34.677 0.230 25700 1918 1 4 . 1 1 37 37 LYS H H 37 8.665 8.665 9.195 -0.530 25700 1919 1 4 . 1 1 38 38 ALA N N 38 130.221 130.221 124.333 5.888 25700 1920 1 4 . 1 1 38 38 ALA HA H 38 4.983 4.983 5.065 -0.082 25700 1921 1 4 . 1 1 38 38 ALA C C 38 176.141 176.141 175.336 0.805 25700 1922 1 4 . 1 1 38 38 ALA CA C 38 51.093 51.093 51.442 -0.349 25700 1923 1 4 . 1 1 38 38 ALA CB C 38 21.778 21.778 21.430 0.348 25700 1924 1 4 . 1 1 38 38 ALA H H 38 8.798 8.798 8.938 -0.140 25700 1925 1 4 . 1 1 39 39 GLY N N 39 109.328 109.328 109.739 -0.411 25700 1926 1 4 . 1 1 39 39 GLY C C 39 174.208 174.208 173.820 0.388 25700 1927 1 4 . 1 1 39 39 GLY CA C 39 44.645 44.645 43.866 0.779 25700 1928 1 4 . 1 1 39 39 GLY H H 39 7.851 7.851 8.610 -0.759 25700 1929 1 4 . 1 1 40 40 ALA N N 40 125.088 125.088 122.157 2.931 25700 1930 1 4 . 1 1 40 40 ALA HA H 40 4.051 4.051 4.199 -0.148 25700 1931 1 4 . 1 1 40 40 ALA C C 40 178.917 178.917 178.851 0.066 25700 1932 1 4 . 1 1 40 40 ALA CA C 40 54.841 54.841 54.505 0.336 25700 1933 1 4 . 1 1 40 40 ALA CB C 40 18.293 18.293 18.473 -0.180 25700 1934 1 4 . 1 1 40 40 ALA H H 40 8.766 8.766 8.531 0.235 25700 1935 1 4 . 1 1 41 41 ALA N N 41 117.569 117.569 120.243 -2.674 25700 1936 1 4 . 1 1 41 41 ALA HA H 41 4.419 4.419 4.343 0.076 25700 1937 1 4 . 1 1 41 41 ALA C C 41 177.136 177.136 177.649 -0.513 25700 1938 1 4 . 1 1 41 41 ALA CA C 41 51.929 51.929 52.428 -0.499 25700 1939 1 4 . 1 1 41 41 ALA CB C 41 18.774 18.774 19.340 -0.566 25700 1940 1 4 . 1 1 41 41 ALA H H 41 8.300 8.300 8.108 0.192 25700 1941 1 4 . 1 1 42 42 GLY N N 42 106.796 106.796 105.687 1.109 25700 1942 1 4 . 1 1 42 42 GLY C C 42 173.379 173.379 172.413 0.966 25700 1943 1 4 . 1 1 42 42 GLY CA C 42 44.336 44.336 44.701 -0.365 25700 1944 1 4 . 1 1 42 42 GLY H H 42 7.577 7.577 7.739 -0.162 25700 1945 1 4 . 1 1 43 43 THR N N 43 116.541 116.541 112.960 3.581 25700 1946 1 4 . 1 1 43 43 THR HA H 43 5.263 5.263 5.093 0.170 25700 1947 1 4 . 1 1 43 43 THR C C 43 174.244 174.244 174.178 0.066 25700 1948 1 4 . 1 1 43 43 THR CA C 43 61.137 61.137 60.699 0.438 25700 1949 1 4 . 1 1 43 43 THR CB C 43 70.759 70.759 70.933 -0.174 25700 1950 1 4 . 1 1 43 43 THR H H 43 8.526 8.526 8.235 0.291 25700 1951 1 4 . 1 1 44 44 SER N N 44 120.903 120.903 118.775 2.128 25700 1952 1 4 . 1 1 44 44 SER HA H 44 4.759 4.759 4.713 0.046 25700 1953 1 4 . 1 1 44 44 SER C C 44 172.241 172.241 172.897 -0.656 25700 1954 1 4 . 1 1 44 44 SER CA C 44 57.340 57.340 57.859 -0.519 25700 1955 1 4 . 1 1 44 44 SER CB C 44 65.568 65.568 66.279 -0.711 25700 1956 1 4 . 1 1 44 44 SER H H 44 8.904 8.904 8.837 0.067 25700 1957 1 4 . 1 1 45 45 ARG N N 45 124.546 124.546 126.741 -2.195 25700 1958 1 4 . 1 1 45 45 ARG HA H 45 5.489 5.489 4.837 0.652 25700 1959 1 4 . 1 1 45 45 ARG C C 45 175.520 175.520 175.224 0.296 25700 1960 1 4 . 1 1 45 45 ARG CA C 45 55.101 55.101 55.848 -0.747 25700 1961 1 4 . 1 1 45 45 ARG CB C 45 32.760 32.760 31.326 1.434 25700 1962 1 4 . 1 1 45 45 ARG H H 45 8.579 8.579 8.722 -0.143 25700 1963 1 4 . 1 1 46 46 ILE N N 46 127.920 127.920 127.920 0.000 25700 1964 1 4 . 1 1 46 46 ILE HA H 46 4.460 4.460 4.420 0.040 25700 1965 1 4 . 1 1 46 46 ILE C C 46 174.450 174.450 174.623 -0.173 25700 1966 1 4 . 1 1 46 46 ILE CA C 46 60.220 60.220 60.578 -0.357 25700 1967 1 4 . 1 1 46 46 ILE CB C 46 41.290 41.290 42.259 -0.969 25700 1968 1 4 . 1 1 46 46 ILE H H 46 9.344 9.344 9.044 0.300 25700 1969 1 4 . 1 1 47 47 LYS N N 47 126.061 126.061 126.169 -0.108 25700 1970 1 4 . 1 1 47 47 LYS HA H 47 5.514 5.514 4.917 0.597 25700 1971 1 4 . 1 1 47 47 LYS C C 47 175.790 175.790 175.297 0.493 25700 1972 1 4 . 1 1 47 47 LYS CA C 47 54.870 54.870 55.153 -0.283 25700 1973 1 4 . 1 1 47 47 LYS CB C 47 35.386 35.386 34.599 0.787 25700 1974 1 4 . 1 1 47 47 LYS H H 47 8.734 8.734 8.281 0.453 25700 1975 1 4 . 1 1 48 48 GLN N N 48 122.633 122.633 125.273 -2.640 25700 1976 1 4 . 1 1 48 48 GLN HA H 48 4.669 4.669 4.633 0.036 25700 1977 1 4 . 1 1 48 48 GLN C C 48 173.659 173.659 173.718 -0.059 25700 1978 1 4 . 1 1 48 48 GLN CA C 48 54.895 54.895 55.075 -0.180 25700 1979 1 4 . 1 1 48 48 GLN CB C 48 33.072 33.072 32.693 0.379 25700 1980 1 4 . 1 1 48 48 GLN H H 48 9.228 9.228 9.162 0.066 25700 1981 1 4 . 1 1 49 49 ALA N N 49 125.634 125.634 126.149 -0.515 25700 1982 1 4 . 1 1 49 49 ALA HA H 49 4.544 4.544 5.217 -0.673 25700 1983 1 4 . 1 1 49 49 ALA C C 49 175.881 175.881 176.234 -0.353 25700 1984 1 4 . 1 1 49 49 ALA CA C 49 50.993 50.993 51.249 -0.256 25700 1985 1 4 . 1 1 49 49 ALA CB C 49 22.620 22.620 21.329 1.291 25700 1986 1 4 . 1 1 49 49 ALA H H 49 8.557 8.557 8.507 0.050 25700 1987 1 4 . 1 1 50 50 GLY N N 50 105.483 105.483 109.400 -3.917 25700 1988 1 4 . 1 1 50 50 GLY C C 50 170.217 170.217 171.555 -1.338 25700 1989 1 4 . 1 1 50 50 GLY CA C 50 45.670 45.670 46.174 -0.504 25700 1990 1 4 . 1 1 50 50 GLY H H 50 6.865 6.865 8.366 -1.501 25700 1991 1 4 . 1 1 51 51 ALA N N 51 122.908 122.908 121.669 1.239 25700 1992 1 4 . 1 1 51 51 ALA HA H 51 5.265 5.265 4.833 0.432 25700 1993 1 4 . 1 1 51 51 ALA C C 51 176.793 176.793 175.220 1.573 25700 1994 1 4 . 1 1 51 51 ALA CA C 51 50.736 50.736 50.666 0.070 25700 1995 1 4 . 1 1 51 51 ALA CB C 51 21.840 21.840 21.647 0.193 25700 1996 1 4 . 1 1 51 51 ALA H H 51 8.522 8.522 8.134 0.388 25700 1997 1 4 . 1 1 52 52 PHE N N 52 115.156 115.156 120.506 -5.350 25700 1998 1 4 . 1 1 52 52 PHE HA H 52 5.106 5.106 4.914 0.192 25700 1999 1 4 . 1 1 52 52 PHE C C 52 172.832 172.832 173.605 -0.773 25700 2000 1 4 . 1 1 52 52 PHE CA C 52 56.890 56.890 57.090 -0.200 25700 2001 1 4 . 1 1 52 52 PHE CB C 52 42.428 42.428 42.983 -0.555 25700 2002 1 4 . 1 1 52 52 PHE H H 52 8.191 8.191 8.814 -0.623 25700 2003 1 4 . 1 1 53 53 THR N N 53 116.180 116.180 114.492 1.688 25700 2004 1 4 . 1 1 53 53 THR HA H 53 4.631 4.631 4.556 0.075 25700 2005 1 4 . 1 1 53 53 THR C C 53 172.769 172.769 172.942 -0.173 25700 2006 1 4 . 1 1 53 53 THR CA C 53 61.610 61.610 60.806 0.804 25700 2007 1 4 . 1 1 53 53 THR CB C 53 70.736 70.736 68.895 1.841 25700 2008 1 4 . 1 1 53 53 THR H H 53 8.650 8.650 6.670 1.980 25700 2009 1 4 . 1 1 54 54 ALA N N 54 127.969 127.969 128.947 -0.978 25700 2010 1 4 . 1 1 54 54 ALA HA H 54 4.748 4.748 4.803 -0.055 25700 2011 1 4 . 1 1 54 54 ALA C C 54 176.369 176.369 175.048 1.321 25700 2012 1 4 . 1 1 54 54 ALA CA C 54 51.397 51.397 50.333 1.064 25700 2013 1 4 . 1 1 54 54 ALA CB C 54 22.010 22.010 22.303 -0.293 25700 2014 1 4 . 1 1 54 54 ALA H H 54 9.353 9.353 8.694 0.659 25700 2015 1 4 . 1 1 55 55 ILE N N 55 123.326 123.326 120.984 2.342 25700 2016 1 4 . 1 1 55 55 ILE HA H 55 4.391 4.391 4.321 0.070 25700 2017 1 4 . 1 1 55 55 ILE C C 55 176.079 176.079 175.461 0.618 25700 2018 1 4 . 1 1 55 55 ILE CA C 55 59.138 59.138 59.626 -0.488 25700 2019 1 4 . 1 1 55 55 ILE CB C 55 39.451 39.451 40.942 -1.491 25700 2020 1 4 . 1 1 55 55 ILE H H 55 7.856 7.856 8.642 -0.786 25700 2021 1 4 . 1 1 56 56 ALA N N 56 130.280 130.280 128.600 1.680 25700 2022 1 4 . 1 1 56 56 ALA HA H 56 3.493 3.493 4.328 -0.835 25700 2023 1 4 . 1 1 56 56 ALA C C 56 177.405 177.405 177.719 -0.314 25700 2024 1 4 . 1 1 56 56 ALA CA C 56 54.156 54.156 52.385 1.771 25700 2025 1 4 . 1 1 56 56 ALA CB C 56 18.871 18.871 18.730 0.141 25700 2026 1 4 . 1 1 56 56 ALA H H 56 9.104 9.104 8.492 0.612 25700 2027 1 4 . 1 1 57 57 GLU N N 57 113.081 113.081 119.116 -6.035 25700 2028 1 4 . 1 1 57 57 GLU HA H 57 3.614 3.614 3.776 -0.162 25700 2029 1 4 . 1 1 57 57 GLU C C 57 174.959 174.959 175.171 -0.212 25700 2030 1 4 . 1 1 57 57 GLU CA C 57 58.080 58.080 57.475 0.605 25700 2031 1 4 . 1 1 57 57 GLU CB C 57 27.141 27.141 28.352 -1.211 25700 2032 1 4 . 1 1 57 57 GLU H H 57 9.007 9.007 8.857 0.150 25700 2033 1 4 . 1 1 58 58 GLN N N 58 119.796 119.796 118.130 1.666 25700 2034 1 4 . 1 1 58 58 GLN HA H 58 4.519 4.519 4.623 -0.104 25700 2035 1 4 . 1 1 58 58 GLN C C 58 175.217 175.217 174.705 0.512 25700 2036 1 4 . 1 1 58 58 GLN CA C 58 54.379 54.379 53.821 0.558 25700 2037 1 4 . 1 1 58 58 GLN CB C 58 30.102 30.102 31.344 -1.242 25700 2038 1 4 . 1 1 58 58 GLN H H 58 8.061 8.061 7.854 0.207 25700 2039 1 4 . 1 1 59 59 ARG N N 59 124.810 124.810 123.232 1.578 25700 2040 1 4 . 1 1 59 59 ARG HA H 59 4.286 4.286 4.439 -0.153 25700 2041 1 4 . 1 1 59 59 ARG C C 59 176.396 176.396 175.997 0.399 25700 2042 1 4 . 1 1 59 59 ARG CA C 59 56.810 56.810 55.704 1.106 25700 2043 1 4 . 1 1 59 59 ARG CB C 59 30.906 30.906 30.654 0.252 25700 2044 1 4 . 1 1 59 59 ARG H H 59 8.486 8.486 8.575 -0.089 25700 2045 1 4 . 1 1 60 60 VAL N N 60 127.238 127.238 127.230 0.008 25700 2046 1 4 . 1 1 60 60 VAL HA H 60 4.319 4.319 4.364 -0.045 25700 2047 1 4 . 1 1 60 60 VAL C C 60 174.543 174.543 174.946 -0.403 25700 2048 1 4 . 1 1 60 60 VAL CA C 60 61.227 61.227 61.213 0.014 25700 2049 1 4 . 1 1 60 60 VAL CB C 60 34.177 34.177 33.871 0.306 25700 2050 1 4 . 1 1 60 60 VAL H H 60 9.033 9.033 9.155 -0.122 25700 2051 1 4 . 1 1 61 61 THR N N 61 120.913 120.913 124.032 -3.119 25700 2052 1 4 . 1 1 61 61 THR HA H 61 5.096 5.096 4.717 0.379 25700 2053 1 4 . 1 1 61 61 THR C C 61 174.645 174.645 173.638 1.007 25700 2054 1 4 . 1 1 61 61 THR CA C 61 60.686 60.686 62.316 -1.630 25700 2055 1 4 . 1 1 61 61 THR CB C 61 69.710 69.710 69.426 0.284 25700 2056 1 4 . 1 1 61 61 THR H H 61 8.340 8.340 8.567 -0.227 25700 2057 1 4 . 1 1 62 62 VAL N N 62 117.650 117.650 125.951 -8.301 25700 2058 1 4 . 1 1 62 62 VAL HA H 62 4.294 4.294 4.155 0.139 25700 2059 1 4 . 1 1 62 62 VAL C C 62 174.530 174.530 174.834 -0.304 25700 2060 1 4 . 1 1 62 62 VAL CA C 62 58.641 58.641 60.968 -2.328 25700 2061 1 4 . 1 1 62 62 VAL CB C 62 34.263 34.263 34.951 -0.688 25700 2062 1 4 . 1 1 62 62 VAL H H 62 8.658 8.658 8.989 -0.331 25700 2063 1 4 . 1 1 63 63 GLY N N 63 107.924 107.924 113.047 -5.123 25700 2064 1 4 . 1 1 63 63 GLY C C 63 172.475 172.475 173.413 -0.938 25700 2065 1 4 . 1 1 63 63 GLY CA C 63 43.668 43.668 44.609 -0.941 25700 2066 1 4 . 1 1 63 63 GLY H H 63 7.857 7.857 8.744 -0.887 25700 2067 1 4 . 1 1 64 64 ASN N N 64 116.073 116.073 119.487 -3.414 25700 2068 1 4 . 1 1 64 64 ASN HA H 64 4.530 4.530 4.679 -0.149 25700 2069 1 4 . 1 1 64 64 ASN C C 64 173.307 173.307 175.102 -1.795 25700 2070 1 4 . 1 1 64 64 ASN CA C 64 55.380 55.380 52.791 2.589 25700 2071 1 4 . 1 1 64 64 ASN CB C 64 39.159 39.159 38.511 0.648 25700 2072 1 4 . 1 1 64 64 ASN H H 64 8.933 8.933 7.835 1.098 25700 2073 1 4 . 1 1 65 65 VAL N N 65 126.612 126.612 117.707 8.905 25700 2074 1 4 . 1 1 65 65 VAL HA H 65 4.238 4.238 4.550 -0.312 25700 2075 1 4 . 1 1 65 65 VAL C C 65 173.538 173.538 174.321 -0.783 25700 2076 1 4 . 1 1 65 65 VAL CA C 65 61.970 61.970 59.957 2.013 25700 2077 1 4 . 1 1 65 65 VAL CB C 65 33.829 33.829 35.103 -1.274 25700 2078 1 4 . 1 1 65 65 VAL H H 65 8.548 8.548 7.961 0.587 25700 2079 1 4 . 1 1 66 66 VAL N N 66 127.886 127.886 124.907 2.979 25700 2080 1 4 . 1 1 66 66 VAL HA H 66 4.990 4.990 4.631 0.359 25700 2081 1 4 . 1 1 66 66 VAL C C 66 175.271 175.271 175.492 -0.221 25700 2082 1 4 . 1 1 66 66 VAL CA C 66 61.360 61.360 61.049 0.311 25700 2083 1 4 . 1 1 66 66 VAL CB C 66 32.923 32.923 32.993 -0.070 25700 2084 1 4 . 1 1 66 66 VAL H H 66 8.364 8.364 8.211 0.153 25700 2085 1 4 . 1 1 67 67 LEU N N 67 126.454 126.454 126.844 -0.390 25700 2086 1 4 . 1 1 67 67 LEU HA H 67 4.955 4.955 4.753 0.202 25700 2087 1 4 . 1 1 67 67 LEU C C 67 176.547 176.547 176.589 -0.042 25700 2088 1 4 . 1 1 67 67 LEU CA C 67 52.492 52.492 51.901 0.591 25700 2089 1 4 . 1 1 67 67 LEU CB C 67 46.685 46.685 42.860 3.825 25700 2090 1 4 . 1 1 67 67 LEU H H 67 9.050 9.050 9.043 0.007 25700 2091 1 4 . 1 1 68 68 ASP N N 68 119.799 119.799 119.501 0.298 25700 2092 1 4 . 1 1 68 68 ASP HA H 68 4.609 4.609 4.638 -0.029 25700 2093 1 4 . 1 1 68 68 ASP C C 68 176.247 176.247 175.716 0.531 25700 2094 1 4 . 1 1 68 68 ASP CA C 68 55.492 55.492 53.664 1.828 25700 2095 1 4 . 1 1 68 68 ASP CB C 68 40.566 40.566 41.077 -0.510 25700 2096 1 4 . 1 1 68 68 ASP H H 68 8.722 8.722 8.575 0.147 25700 2097 1 4 . 1 1 69 69 TYR N N 69 123.398 123.398 125.293 -1.895 25700 2098 1 4 . 1 1 69 69 TYR HA H 69 4.651 4.651 4.551 0.100 25700 2099 1 4 . 1 1 69 69 TYR C C 69 174.253 174.253 173.962 0.291 25700 2100 1 4 . 1 1 69 69 TYR CA C 69 57.767 57.767 58.347 -0.580 25700 2101 1 4 . 1 1 69 69 TYR CB C 69 40.067 40.067 39.018 1.049 25700 2102 1 4 . 1 1 69 69 TYR H H 69 8.603 8.603 8.046 0.557 25700 2103 1 4 . 1 1 70 70 SER N N 70 121.308 121.308 121.912 -0.604 25700 2104 1 4 . 1 1 70 70 SER HA H 70 4.059 4.059 4.322 -0.263 25700 2105 1 4 . 1 1 70 70 SER C C 70 174.851 174.851 174.177 0.674 25700 2106 1 4 . 1 1 70 70 SER CA C 70 56.341 56.341 56.301 0.040 25700 2107 1 4 . 1 1 70 70 SER CB C 70 64.634 64.634 65.329 -0.695 25700 2108 1 4 . 1 1 70 70 SER H H 70 6.749 6.749 8.133 -1.384 25700 2109 1 4 . 1 1 71 71 SER N N 71 122.764 122.764 119.444 3.320 25700 2110 1 4 . 1 1 71 71 SER HA H 71 4.221 4.221 4.332 -0.111 25700 2111 1 4 . 1 1 71 71 SER C C 71 174.098 174.098 175.709 -1.611 25700 2112 1 4 . 1 1 71 71 SER CA C 71 60.326 60.326 59.924 0.402 25700 2113 1 4 . 1 1 71 71 SER CB C 71 62.814 62.814 62.887 -0.073 25700 2114 1 4 . 1 1 71 71 SER H H 71 8.907 8.907 8.348 0.559 25700 2115 1 4 . 1 1 72 72 ALA N N 72 122.199 122.199 121.674 0.525 25700 2116 1 4 . 1 1 72 72 ALA HA H 72 4.320 4.320 4.396 -0.076 25700 2117 1 4 . 1 1 72 72 ALA C C 72 177.749 177.749 177.393 0.356 25700 2118 1 4 . 1 1 72 72 ALA CA C 72 52.283 52.283 51.512 0.771 25700 2119 1 4 . 1 1 72 72 ALA CB C 72 18.950 18.950 18.474 0.477 25700 2120 1 4 . 1 1 72 72 ALA H H 72 7.869 7.869 8.029 -0.160 25700 2121 1 4 . 1 1 73 73 ASN N N 73 116.297 116.297 117.604 -1.307 25700 2122 1 4 . 1 1 73 73 ASN HA H 73 5.076 5.076 4.482 0.594 25700 2123 1 4 . 1 1 73 73 ASN C C 73 173.794 173.794 174.206 -0.412 25700 2124 1 4 . 1 1 73 73 ASN CA C 73 51.612 51.612 53.538 -1.926 25700 2125 1 4 . 1 1 73 73 ASN CB C 73 40.647 40.647 39.563 1.084 25700 2126 1 4 . 1 1 73 73 ASN H H 73 7.265 7.265 7.467 -0.202 25700 2127 1 4 . 1 1 74 74 ARG N N 74 118.937 118.937 121.594 -2.657 25700 2128 1 4 . 1 1 74 74 ARG HA H 74 4.684 4.684 4.511 0.173 25700 2129 1 4 . 1 1 74 74 ARG C C 74 174.943 174.943 174.330 0.613 25700 2130 1 4 . 1 1 74 74 ARG CA C 74 54.523 54.523 53.979 0.544 25700 2131 1 4 . 1 1 74 74 ARG CB C 74 32.331 32.331 30.276 2.055 25700 2132 1 4 . 1 1 74 74 ARG H H 74 8.529 8.529 7.822 0.707 25700 2133 1 4 . 1 1 75 75 TYR N N 75 122.282 122.282 123.764 -1.482 25700 2134 1 4 . 1 1 75 75 TYR HA H 75 5.159 5.159 4.971 0.188 25700 2135 1 4 . 1 1 75 75 TYR C C 75 173.593 173.593 174.315 -0.722 25700 2136 1 4 . 1 1 75 75 TYR CA C 75 57.080 57.080 56.980 0.100 25700 2137 1 4 . 1 1 75 75 TYR CB C 75 41.202 41.202 41.647 -0.445 25700 2138 1 4 . 1 1 75 75 TYR H H 75 8.691 8.691 8.598 0.093 25700 2139 1 4 . 1 1 76 76 ALA N N 76 122.606 122.606 123.898 -1.292 25700 2140 1 4 . 1 1 76 76 ALA HA H 76 4.788 4.788 4.877 -0.089 25700 2141 1 4 . 1 1 76 76 ALA C C 76 175.765 175.765 174.875 0.890 25700 2142 1 4 . 1 1 76 76 ALA CA C 76 50.543 50.543 50.028 0.515 25700 2143 1 4 . 1 1 76 76 ALA CB C 76 23.070 23.070 22.873 0.197 25700 2144 1 4 . 1 1 76 76 ALA H H 76 8.688 8.688 9.274 -0.586 25700 2145 1 4 . 1 1 77 77 ALA N N 77 119.325 119.325 120.749 -1.424 25700 2146 1 4 . 1 1 77 77 ALA HA H 77 5.488 5.488 5.468 0.020 25700 2147 1 4 . 1 1 77 77 ALA C C 77 174.473 174.473 175.522 -1.049 25700 2148 1 4 . 1 1 77 77 ALA CA C 77 51.813 51.813 51.271 0.542 25700 2149 1 4 . 1 1 77 77 ALA CB C 77 24.137 24.137 22.881 1.256 25700 2150 1 4 . 1 1 77 77 ALA H H 77 8.584 8.584 8.262 0.322 25700 2151 1 4 . 1 1 78 78 ARG N N 78 122.822 122.822 118.237 4.585 25700 2152 1 4 . 1 1 78 78 ARG HA H 78 4.938 4.938 5.258 -0.320 25700 2153 1 4 . 1 1 78 78 ARG C C 78 173.170 173.170 173.626 -0.456 25700 2154 1 4 . 1 1 78 78 ARG CA C 78 54.890 54.890 55.074 -0.184 25700 2155 1 4 . 1 1 78 78 ARG CB C 78 34.467 34.467 32.184 2.284 25700 2156 1 4 . 1 1 78 78 ARG H H 78 8.807 8.807 9.187 -0.380 25700 2157 1 4 . 1 1 79 79 LEU N N 79 130.548 130.548 126.524 4.024 25700 2158 1 4 . 1 1 79 79 LEU HA H 79 5.440 5.440 5.137 0.303 25700 2159 1 4 . 1 1 79 79 LEU C C 79 173.434 173.434 174.633 -1.199 25700 2160 1 4 . 1 1 79 79 LEU CA C 79 53.186 53.186 53.371 -0.185 25700 2161 1 4 . 1 1 79 79 LEU CB C 79 45.369 45.369 45.324 0.045 25700 2162 1 4 . 1 1 79 79 LEU H H 79 9.055 9.055 8.682 0.373 25700 2163 1 4 . 1 1 80 80 ASP N N 80 125.928 125.928 127.498 -1.570 25700 2164 1 4 . 1 1 80 80 ASP HA H 80 5.480 5.480 5.358 0.122 25700 2165 1 4 . 1 1 80 80 ASP C C 80 175.805 175.805 174.810 0.995 25700 2166 1 4 . 1 1 80 80 ASP CA C 80 53.794 53.794 52.694 1.100 25700 2167 1 4 . 1 1 80 80 ASP CB C 80 44.119 44.119 43.488 0.631 25700 2168 1 4 . 1 1 80 80 ASP H H 80 9.251 9.251 9.169 0.082 25700 2169 1 4 . 1 1 81 81 VAL N N 81 123.295 123.295 127.640 -4.345 25700 2170 1 4 . 1 1 81 81 VAL HA H 81 4.843 4.843 4.494 0.349 25700 2171 1 4 . 1 1 81 81 VAL C C 81 174.136 174.136 174.558 -0.422 25700 2172 1 4 . 1 1 81 81 VAL CA C 81 61.438 61.438 60.874 0.564 25700 2173 1 4 . 1 1 81 81 VAL CB C 81 35.299 35.299 32.149 3.150 25700 2174 1 4 . 1 1 81 81 VAL H H 81 8.947 8.947 8.839 0.108 25700 2175 1 4 . 1 1 82 82 SER N N 82 122.698 122.698 122.917 -0.219 25700 2176 1 4 . 1 1 82 82 SER HA H 82 5.380 5.380 5.371 0.009 25700 2177 1 4 . 1 1 82 82 SER C C 82 173.016 173.016 173.602 -0.586 25700 2178 1 4 . 1 1 82 82 SER CA C 82 57.195 57.195 56.926 0.269 25700 2179 1 4 . 1 1 82 82 SER CB C 82 64.477 64.477 64.405 0.072 25700 2180 1 4 . 1 1 82 82 SER H H 82 9.026 9.026 8.585 0.441 25700 2181 1 4 . 1 1 83 83 PHE N N 83 127.305 127.305 126.919 0.386 25700 2182 1 4 . 1 1 83 83 PHE HA H 83 4.781 4.781 4.763 0.018 25700 2183 1 4 . 1 1 83 83 PHE C C 83 174.741 174.741 175.213 -0.472 25700 2184 1 4 . 1 1 83 83 PHE CA C 83 57.376 57.376 57.992 -0.616 25700 2185 1 4 . 1 1 83 83 PHE CB C 83 42.094 42.094 40.550 1.544 25700 2186 1 4 . 1 1 83 83 PHE H H 83 9.012 9.012 8.779 0.233 25700 2187 1 4 . 1 1 84 84 GLY N N 84 117.337 117.337 116.537 0.800 25700 2188 1 4 . 1 1 84 84 GLY C C 84 175.295 175.295 175.048 0.247 25700 2189 1 4 . 1 1 84 84 GLY CA C 84 47.086 47.086 46.421 0.665 25700 2190 1 4 . 1 1 84 84 GLY H H 84 8.784 8.784 8.473 0.311 25700 2191 1 4 . 1 1 85 85 SER N N 85 120.553 120.553 119.650 0.903 25700 2192 1 4 . 1 1 85 85 SER HA H 85 4.383 4.383 4.470 -0.087 25700 2193 1 4 . 1 1 85 85 SER C C 85 173.796 173.796 174.938 -1.142 25700 2194 1 4 . 1 1 85 85 SER CA C 85 59.095 59.095 58.230 0.865 25700 2195 1 4 . 1 1 85 85 SER CB C 85 63.360 63.360 64.191 -0.831 25700 2196 1 4 . 1 1 85 85 SER H H 85 8.687 8.687 8.393 0.294 25700 2197 1 4 . 1 1 86 86 VAL N N 86 121.297 121.297 122.659 -1.362 25700 2198 1 4 . 1 1 86 86 VAL HA H 86 4.504 4.504 4.258 0.246 25700 2199 1 4 . 1 1 86 86 VAL C C 86 174.888 174.888 173.998 0.890 25700 2200 1 4 . 1 1 86 86 VAL CA C 86 61.610 61.610 61.655 -0.045 25700 2201 1 4 . 1 1 86 86 VAL CB C 86 34.210 34.210 33.181 1.029 25700 2202 1 4 . 1 1 86 86 VAL H H 86 7.963 7.963 7.426 0.537 25700 2203 1 4 . 1 1 87 87 THR N N 87 119.631 119.631 123.880 -4.249 25700 2204 1 4 . 1 1 87 87 THR HA H 87 5.551 5.551 5.457 0.094 25700 2205 1 4 . 1 1 87 87 THR C C 87 174.271 174.271 173.478 0.793 25700 2206 1 4 . 1 1 87 87 THR CA C 87 60.550 60.550 61.255 -0.705 25700 2207 1 4 . 1 1 87 87 THR CB C 87 71.350 71.350 70.030 1.320 25700 2208 1 4 . 1 1 87 87 THR H H 87 8.302 8.302 8.410 -0.108 25700 2209 1 4 . 1 1 88 88 ILE N N 88 118.811 118.811 122.253 -3.442 25700 2210 1 4 . 1 1 88 88 ILE HA H 88 4.858 4.858 4.798 0.059 25700 2211 1 4 . 1 1 88 88 ILE C C 88 174.300 174.300 173.308 0.992 25700 2212 1 4 . 1 1 88 88 ILE CA C 88 59.380 59.380 59.141 0.239 25700 2213 1 4 . 1 1 88 88 ILE CB C 88 43.170 43.170 42.451 0.719 25700 2214 1 4 . 1 1 88 88 ILE H H 88 8.986 8.986 8.826 0.160 25700 2215 1 4 . 1 1 89 89 GLN N N 89 120.806 120.806 118.374 2.432 25700 2216 1 4 . 1 1 89 89 GLN HA H 89 5.814 5.814 5.743 0.071 25700 2217 1 4 . 1 1 89 89 GLN C C 89 175.021 175.021 174.804 0.217 25700 2218 1 4 . 1 1 89 89 GLN CA C 89 54.171 54.171 54.481 -0.310 25700 2219 1 4 . 1 1 89 89 GLN CB C 89 34.262 34.262 32.787 1.475 25700 2220 1 4 . 1 1 89 89 GLN H H 89 8.481 8.481 8.349 0.132 25700 2221 1 4 . 1 1 90 90 CYS N N 90 118.531 118.531 117.534 0.997 25700 2222 1 4 . 1 1 90 90 CYS HA H 90 5.010 5.010 4.841 0.169 25700 2223 1 4 . 1 1 90 90 CYS C C 90 172.402 172.402 172.903 -0.501 25700 2224 1 4 . 1 1 90 90 CYS CA C 90 54.874 54.874 56.746 -1.872 25700 2225 1 4 . 1 1 90 90 CYS CB C 90 50.267 50.267 31.168 19.099 25700 2226 1 4 . 1 1 90 90 CYS H H 90 9.151 9.151 8.807 0.344 25700 2227 1 4 . 1 1 91 91 ASN N N 91 116.449 116.449 118.439 -1.990 25700 2228 1 4 . 1 1 91 91 ASN HA H 91 5.615 5.615 5.358 0.257 25700 2229 1 4 . 1 1 91 91 ASN C C 91 174.994 174.994 173.783 1.211 25700 2230 1 4 . 1 1 91 91 ASN CA C 91 52.484 52.484 52.356 0.128 25700 2231 1 4 . 1 1 91 91 ASN CB C 91 43.331 43.331 41.585 1.746 25700 2232 1 4 . 1 1 91 91 ASN H H 91 8.791 8.791 8.237 0.554 25700 2233 1 4 . 1 1 92 92 LEU N N 92 123.391 123.391 122.641 0.750 25700 2234 1 4 . 1 1 92 92 LEU HA H 92 4.286 4.286 4.421 -0.135 25700 2235 1 4 . 1 1 92 92 LEU C C 92 176.188 176.188 176.335 -0.147 25700 2236 1 4 . 1 1 92 92 LEU CA C 92 54.863 54.863 54.874 -0.011 25700 2237 1 4 . 1 1 92 92 LEU CB C 92 45.064 45.064 43.117 1.947 25700 2238 1 4 . 1 1 92 92 LEU H H 92 8.597 8.597 8.906 -0.309 25700 2239 1 4 . 1 1 93 93 ASP N N 93 129.020 129.020 128.309 0.711 25700 2240 1 4 . 1 1 93 93 ASP HA H 93 5.160 5.160 4.931 0.229 25700 2241 1 4 . 1 1 93 93 ASP C C 93 175.761 175.761 175.614 0.147 25700 2242 1 4 . 1 1 93 93 ASP CA C 93 50.948 50.948 52.624 -1.676 25700 2243 1 4 . 1 1 93 93 ASP CB C 93 41.136 41.136 41.601 -0.465 25700 2244 1 4 . 1 1 93 93 ASP H H 93 9.146 9.146 8.699 0.447 25700 2245 1 4 . 1 1 94 94 PRO HA H 94 4.304 4.304 4.729 -0.425 25700 2246 1 4 . 1 1 94 94 PRO C C 94 178.637 178.637 177.331 1.306 25700 2247 1 4 . 1 1 94 94 PRO CA C 94 64.830 64.830 64.727 0.103 25700 2248 1 4 . 1 1 94 94 PRO CB C 94 32.579 32.579 32.147 0.432 25700 2249 1 4 . 1 1 95 95 GLU N N 95 116.747 116.747 116.010 0.737 25700 2250 1 4 . 1 1 95 95 GLU HA H 95 4.223 4.223 4.188 0.035 25700 2251 1 4 . 1 1 95 95 GLU C C 95 177.994 177.994 177.441 0.553 25700 2252 1 4 . 1 1 95 95 GLU CA C 95 57.773 57.773 57.913 -0.140 25700 2253 1 4 . 1 1 95 95 GLU CB C 95 29.084 29.084 29.011 0.073 25700 2254 1 4 . 1 1 95 95 GLU H H 95 8.358 8.358 8.488 -0.130 25700 2255 1 4 . 1 1 96 96 THR N N 96 109.182 109.182 109.666 -0.484 25700 2256 1 4 . 1 1 96 96 THR HA H 96 4.169 4.169 4.466 -0.297 25700 2257 1 4 . 1 1 96 96 THR C C 96 175.238 175.238 175.234 0.004 25700 2258 1 4 . 1 1 96 96 THR CA C 96 63.038 63.038 62.781 0.257 25700 2259 1 4 . 1 1 96 96 THR CB C 96 69.640 69.640 69.469 0.171 25700 2260 1 4 . 1 1 96 96 THR H H 96 7.951 7.951 8.048 -0.097 25700 2261 1 4 . 1 1 97 97 VAL N N 97 121.118 121.118 120.078 1.040 25700 2262 1 4 . 1 1 97 97 VAL HA H 97 3.770 3.770 3.862 -0.092 25700 2263 1 4 . 1 1 97 97 VAL C C 97 174.851 174.851 176.753 -1.902 25700 2264 1 4 . 1 1 97 97 VAL CA C 97 63.272 63.272 64.959 -1.687 25700 2265 1 4 . 1 1 97 97 VAL CB C 97 30.627 30.627 31.277 -0.650 25700 2266 1 4 . 1 1 97 97 VAL H H 97 7.175 7.175 7.500 -0.326 25700 2267 1 4 . 1 1 98 98 LYS N N 98 123.245 123.245 121.505 1.740 25700 2268 1 4 . 1 1 98 98 LYS HA H 98 4.385 4.385 4.295 0.090 25700 2269 1 4 . 1 1 98 98 LYS C C 98 175.612 175.612 176.352 -0.740 25700 2270 1 4 . 1 1 98 98 LYS CA C 98 55.812 55.812 56.493 -0.681 25700 2271 1 4 . 1 1 98 98 LYS CB C 98 33.804 33.804 30.538 3.266 25700 2272 1 4 . 1 1 98 98 LYS H H 98 7.712 7.712 8.001 -0.289 25700 2273 1 4 . 1 1 99 99 LEU N N 99 122.457 122.457 117.907 4.550 25700 2274 1 4 . 1 1 99 99 LEU HA H 99 4.123 4.123 3.843 0.280 25700 2275 1 4 . 1 1 99 99 LEU C C 99 177.160 177.160 176.986 0.174 25700 2276 1 4 . 1 1 99 99 LEU CA C 99 55.309 55.309 58.545 -3.236 25700 2277 1 4 . 1 1 99 99 LEU CB C 99 42.319 42.319 40.381 1.938 25700 2278 1 4 . 1 1 99 99 LEU H H 99 8.110 8.110 9.103 -0.993 25700 2279 1 4 . 1 1 100 100 GLU N N 100 120.800 120.800 118.391 2.409 25700 2280 1 4 . 1 1 100 100 GLU HA H 100 4.151 4.151 4.424 -0.273 25700 2281 1 4 . 1 1 100 100 GLU C C 100 176.070 176.070 175.581 0.489 25700 2282 1 4 . 1 1 100 100 GLU CA C 100 56.740 56.740 56.205 0.535 25700 2283 1 4 . 1 1 100 100 GLU CB C 100 30.060 30.060 32.784 -2.724 25700 2284 1 4 . 1 1 100 100 GLU H H 100 8.340 8.340 8.484 -0.144 25700 2285 1 5 . 1 1 2 2 VAL N N 2 123.080 123.080 121.935 1.145 25700 2286 1 5 . 1 1 2 2 VAL HA H 2 4.678 4.678 4.232 0.446 25700 2287 1 5 . 1 1 2 2 VAL C C 2 171.871 171.871 174.748 -2.877 25700 2288 1 5 . 1 1 2 2 VAL CA C 2 59.500 59.500 61.615 -2.115 25700 2289 1 5 . 1 1 2 2 VAL CB C 2 34.185 34.185 32.913 1.272 25700 2290 1 5 . 1 1 2 2 VAL H H 2 8.041 8.041 8.649 -0.608 25700 2291 1 5 . 1 1 3 3 GLN N N 3 123.080 123.080 123.887 -0.807 25700 2292 1 5 . 1 1 3 3 GLN HA H 3 4.660 4.660 4.685 -0.025 25700 2293 1 5 . 1 1 3 3 GLN CA C 3 54.109 54.109 53.850 0.259 25700 2294 1 5 . 1 1 3 3 GLN CB C 3 33.338 33.338 33.105 0.233 25700 2295 1 5 . 1 1 3 3 GLN H H 3 8.126 8.126 8.820 -0.694 25700 2296 1 5 . 1 1 4 4 CYS N N 4 115.260 115.260 119.452 -4.192 25700 2297 1 5 . 1 1 4 4 CYS HA H 4 5.676 5.676 5.535 0.141 25700 2298 1 5 . 1 1 4 4 CYS C C 4 171.720 171.720 173.516 -1.796 25700 2299 1 5 . 1 1 4 4 CYS CA C 4 53.402 53.402 56.432 -3.030 25700 2300 1 5 . 1 1 4 4 CYS CB C 4 45.525 45.525 31.091 14.434 25700 2301 1 5 . 1 1 4 4 CYS H H 4 8.909 8.909 8.552 0.357 25700 2302 1 5 . 1 1 5 5 GLU N N 5 117.764 117.764 121.085 -3.321 25700 2303 1 5 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.720 -0.241 25700 2304 1 5 . 1 1 5 5 GLU C C 5 174.088 174.088 174.492 -0.404 25700 2305 1 5 . 1 1 5 5 GLU CA C 5 54.838 54.838 55.162 -0.324 25700 2306 1 5 . 1 1 5 5 GLU CB C 5 34.155 34.155 34.334 -0.179 25700 2307 1 5 . 1 1 5 5 GLU H H 5 8.580 8.580 9.169 -0.589 25700 2308 1 5 . 1 1 6 6 VAL N N 6 120.471 120.471 115.926 4.545 25700 2309 1 5 . 1 1 6 6 VAL HA H 6 4.427 4.427 4.312 0.115 25700 2310 1 5 . 1 1 6 6 VAL C C 6 174.211 174.211 174.214 -0.003 25700 2311 1 5 . 1 1 6 6 VAL CA C 6 61.540 61.540 61.148 0.393 25700 2312 1 5 . 1 1 6 6 VAL CB C 6 32.618 32.618 33.181 -0.563 25700 2313 1 5 . 1 1 6 6 VAL H H 6 8.588 8.588 8.275 0.313 25700 2314 1 5 . 1 1 7 7 GLU N N 7 125.816 125.816 124.537 1.279 25700 2315 1 5 . 1 1 7 7 GLU HA H 7 4.548 4.548 5.322 -0.773 25700 2316 1 5 . 1 1 7 7 GLU C C 7 174.194 174.194 174.750 -0.556 25700 2317 1 5 . 1 1 7 7 GLU CA C 7 54.524 54.524 53.910 0.614 25700 2318 1 5 . 1 1 7 7 GLU CB C 7 33.291 33.291 34.551 -1.260 25700 2319 1 5 . 1 1 7 7 GLU H H 7 8.820 8.820 8.609 0.211 25700 2320 1 5 . 1 1 8 8 ALA N N 8 122.882 122.882 123.689 -0.807 25700 2321 1 5 . 1 1 8 8 ALA HA H 8 5.238 5.238 4.676 0.562 25700 2322 1 5 . 1 1 8 8 ALA C C 8 175.557 175.557 175.529 0.028 25700 2323 1 5 . 1 1 8 8 ALA CA C 8 49.950 49.950 50.607 -0.657 25700 2324 1 5 . 1 1 8 8 ALA CB C 8 22.730 22.730 21.082 1.648 25700 2325 1 5 . 1 1 8 8 ALA H H 8 8.410 8.410 9.484 -1.074 25700 2326 1 5 . 1 1 9 9 ALA N N 9 124.110 124.110 128.008 -3.898 25700 2327 1 5 . 1 1 9 9 ALA HA H 9 4.691 4.691 4.928 -0.237 25700 2328 1 5 . 1 1 9 9 ALA C C 9 176.300 176.300 176.056 0.244 25700 2329 1 5 . 1 1 9 9 ALA CA C 9 50.825 50.825 50.123 0.702 25700 2330 1 5 . 1 1 9 9 ALA CB C 9 21.240 21.240 20.365 0.875 25700 2331 1 5 . 1 1 9 9 ALA H H 9 8.407 8.407 9.181 -0.774 25700 2332 1 5 . 1 1 10 10 VAL N N 10 126.780 126.780 126.969 -0.189 25700 2333 1 5 . 1 1 10 10 VAL HA H 10 4.379 4.379 4.380 -0.001 25700 2334 1 5 . 1 1 10 10 VAL C C 10 175.717 175.717 175.513 0.204 25700 2335 1 5 . 1 1 10 10 VAL CA C 10 61.580 61.580 61.900 -0.320 25700 2336 1 5 . 1 1 10 10 VAL CB C 10 32.209 32.209 31.403 0.806 25700 2337 1 5 . 1 1 10 10 VAL H H 10 8.860 8.860 7.919 0.941 25700 2338 1 5 . 1 1 11 11 SER N N 11 120.868 120.868 123.992 -3.124 25700 2339 1 5 . 1 1 11 11 SER HA H 11 4.448 4.448 4.806 -0.358 25700 2340 1 5 . 1 1 11 11 SER C C 11 175.498 175.498 174.753 0.745 25700 2341 1 5 . 1 1 11 11 SER CA C 11 57.590 57.590 56.615 0.975 25700 2342 1 5 . 1 1 11 11 SER CB C 11 64.000 64.000 65.232 -1.232 25700 2343 1 5 . 1 1 11 11 SER H H 11 8.478 8.478 8.892 -0.414 25700 2344 1 5 . 1 1 12 12 GLY N N 12 116.896 116.896 107.006 9.890 25700 2345 1 5 . 1 1 12 12 GLY C C 12 174.994 174.994 174.709 0.285 25700 2346 1 5 . 1 1 12 12 GLY CA C 12 47.515 47.515 45.505 2.010 25700 2347 1 5 . 1 1 12 12 GLY H H 12 9.120 9.120 8.552 0.568 25700 2348 1 5 . 1 1 13 13 GLY N N 13 108.984 108.984 113.768 -4.784 25700 2349 1 5 . 1 1 13 13 GLY C C 13 174.440 174.440 173.465 0.975 25700 2350 1 5 . 1 1 13 13 GLY CA C 13 45.383 45.383 44.959 0.424 25700 2351 1 5 . 1 1 13 13 GLY H H 13 8.816 8.816 8.047 0.769 25700 2352 1 5 . 1 1 14 14 HIS N N 14 118.737 118.737 119.005 -0.268 25700 2353 1 5 . 1 1 14 14 HIS HA H 14 5.458 5.458 5.313 0.145 25700 2354 1 5 . 1 1 14 14 HIS C C 14 172.243 172.243 172.942 -0.699 25700 2355 1 5 . 1 1 14 14 HIS CA C 14 54.905 54.905 55.610 -0.705 25700 2356 1 5 . 1 1 14 14 HIS CB C 14 32.311 32.311 34.199 -1.888 25700 2357 1 5 . 1 1 14 14 HIS H H 14 8.084 8.084 7.490 0.594 25700 2358 1 5 . 1 1 15 15 VAL N N 15 120.204 120.204 121.818 -1.614 25700 2359 1 5 . 1 1 15 15 VAL HA H 15 4.932 4.932 4.753 0.179 25700 2360 1 5 . 1 1 15 15 VAL C C 15 172.314 172.314 174.033 -1.719 25700 2361 1 5 . 1 1 15 15 VAL CA C 15 58.540 58.540 60.081 -1.541 25700 2362 1 5 . 1 1 15 15 VAL CB C 15 34.285 34.285 34.324 -0.039 25700 2363 1 5 . 1 1 15 15 VAL H H 15 9.369 9.369 9.255 0.114 25700 2364 1 5 . 1 1 16 16 THR N N 16 123.685 123.685 126.166 -2.481 25700 2365 1 5 . 1 1 16 16 THR HA H 16 5.220 5.220 4.854 0.366 25700 2366 1 5 . 1 1 16 16 THR C C 16 174.478 174.478 173.038 1.440 25700 2367 1 5 . 1 1 16 16 THR CA C 16 61.481 61.481 62.515 -1.034 25700 2368 1 5 . 1 1 16 16 THR CB C 16 70.017 70.017 69.466 0.551 25700 2369 1 5 . 1 1 16 16 THR H H 16 8.604 8.604 9.133 -0.529 25700 2370 1 5 . 1 1 17 17 LEU N N 17 128.958 128.958 129.479 -0.521 25700 2371 1 5 . 1 1 17 17 LEU HA H 17 5.407 5.407 4.702 0.705 25700 2372 1 5 . 1 1 17 17 LEU C C 17 174.481 174.481 174.307 0.174 25700 2373 1 5 . 1 1 17 17 LEU CA C 17 53.999 53.999 54.049 -0.050 25700 2374 1 5 . 1 1 17 17 LEU CB C 17 44.108 44.108 44.892 -0.784 25700 2375 1 5 . 1 1 17 17 LEU H H 17 9.627 9.627 9.190 0.437 25700 2376 1 5 . 1 1 18 18 GLN N N 18 115.227 115.227 121.969 -6.742 25700 2377 1 5 . 1 1 18 18 GLN HA H 18 4.465 4.465 5.113 -0.648 25700 2378 1 5 . 1 1 18 18 GLN C C 18 174.042 174.042 174.919 -0.877 25700 2379 1 5 . 1 1 18 18 GLN CA C 18 53.725 53.725 54.328 -0.603 25700 2380 1 5 . 1 1 18 18 GLN CB C 18 31.767 31.767 34.115 -2.348 25700 2381 1 5 . 1 1 18 18 GLN H H 18 8.243 8.243 8.823 -0.580 25700 2382 1 5 . 1 1 19 19 GLY N N 19 107.795 107.795 109.919 -2.124 25700 2383 1 5 . 1 1 19 19 GLY C C 19 172.005 172.005 172.498 -0.493 25700 2384 1 5 . 1 1 19 19 GLY CA C 19 44.485 44.485 44.008 0.477 25700 2385 1 5 . 1 1 19 19 GLY H H 19 9.100 9.100 9.044 0.056 25700 2386 1 5 . 1 1 20 20 VAL N N 20 120.951 120.951 127.129 -6.178 25700 2387 1 5 . 1 1 20 20 VAL HA H 20 4.634 4.634 4.123 0.511 25700 2388 1 5 . 1 1 20 20 VAL C C 20 175.670 175.670 174.910 0.760 25700 2389 1 5 . 1 1 20 20 VAL CA C 20 61.380 61.380 62.832 -1.452 25700 2390 1 5 . 1 1 20 20 VAL CB C 20 33.990 33.990 33.646 0.344 25700 2391 1 5 . 1 1 20 20 VAL H H 20 8.859 8.859 7.981 0.878 25700 2392 1 5 . 1 1 21 21 ILE N N 21 129.511 129.511 128.326 1.185 25700 2393 1 5 . 1 1 21 21 ILE HA H 21 4.443 4.443 4.644 -0.201 25700 2394 1 5 . 1 1 21 21 ILE C C 21 174.567 174.567 174.996 -0.429 25700 2395 1 5 . 1 1 21 21 ILE CA C 21 59.883 59.883 59.748 0.134 25700 2396 1 5 . 1 1 21 21 ILE CB C 21 41.152 41.152 40.654 0.498 25700 2397 1 5 . 1 1 21 21 ILE H H 21 9.304 9.304 8.761 0.543 25700 2398 1 5 . 1 1 22 22 THR N N 22 120.311 120.311 125.414 -5.103 25700 2399 1 5 . 1 1 22 22 THR HA H 22 4.479 4.479 5.216 -0.737 25700 2400 1 5 . 1 1 22 22 THR C C 22 172.996 172.996 173.585 -0.589 25700 2401 1 5 . 1 1 22 22 THR CA C 22 61.647 61.647 62.392 -0.746 25700 2402 1 5 . 1 1 22 22 THR CB C 22 70.230 70.230 69.252 0.978 25700 2403 1 5 . 1 1 22 22 THR H H 22 8.063 8.063 8.587 -0.524 25700 2404 1 5 . 1 1 23 23 ALA N N 23 104.959 104.959 130.167 -25.208 25700 2405 1 5 . 1 1 23 23 ALA HA H 23 5.056 5.056 4.744 0.312 25700 2406 1 5 . 1 1 23 23 ALA C C 23 177.722 177.722 177.367 0.355 25700 2407 1 5 . 1 1 23 23 ALA CA C 23 49.963 49.963 50.109 -0.146 25700 2408 1 5 . 1 1 23 23 ALA CB C 23 22.915 22.915 21.419 1.496 25700 2409 1 5 . 1 1 23 23 ALA H H 23 9.764 9.764 8.488 1.276 25700 2410 1 5 . 1 1 24 24 VAL N N 24 113.370 113.370 122.329 -8.959 25700 2411 1 5 . 1 1 24 24 VAL HA H 24 4.083 4.083 3.928 0.155 25700 2412 1 5 . 1 1 24 24 VAL C C 24 174.539 174.539 175.451 -0.912 25700 2413 1 5 . 1 1 24 24 VAL CA C 24 62.339 62.339 63.875 -1.536 25700 2414 1 5 . 1 1 24 24 VAL CB C 24 31.933 31.933 31.377 0.556 25700 2415 1 5 . 1 1 24 24 VAL H H 24 8.239 8.239 8.113 0.126 25700 2416 1 5 . 1 1 25 25 ARG N N 25 116.002 116.002 118.664 -2.662 25700 2417 1 5 . 1 1 25 25 ARG HA H 25 4.740 4.740 4.452 0.288 25700 2418 1 5 . 1 1 25 25 ARG C C 25 172.797 172.797 174.611 -1.814 25700 2419 1 5 . 1 1 25 25 ARG CA C 25 53.284 53.284 54.628 -1.344 25700 2420 1 5 . 1 1 25 25 ARG CB C 25 33.542 33.542 32.768 0.774 25700 2421 1 5 . 1 1 25 25 ARG H H 25 7.308 7.308 7.777 -0.469 25700 2422 1 5 . 1 1 26 26 ASP N N 26 118.075 118.075 121.893 -3.818 25700 2423 1 5 . 1 1 26 26 ASP HA H 26 4.665 4.665 4.979 -0.314 25700 2424 1 5 . 1 1 26 26 ASP C C 26 177.721 177.721 175.994 1.727 25700 2425 1 5 . 1 1 26 26 ASP CA C 26 53.911 53.911 53.743 0.168 25700 2426 1 5 . 1 1 26 26 ASP CB C 26 41.143 41.143 41.507 -0.364 25700 2427 1 5 . 1 1 26 26 ASP H H 26 8.301 8.301 8.423 -0.122 25700 2428 1 5 . 1 1 27 27 GLY N N 27 106.966 106.966 109.905 -2.939 25700 2429 1 5 . 1 1 27 27 GLY C C 27 170.472 170.472 172.100 -1.628 25700 2430 1 5 . 1 1 27 27 GLY CA C 27 46.213 46.213 45.325 0.888 25700 2431 1 5 . 1 1 27 27 GLY H H 27 8.276 8.276 8.850 -0.574 25700 2432 1 5 . 1 1 28 28 ALA N N 28 122.805 122.805 123.243 -0.438 25700 2433 1 5 . 1 1 28 28 ALA HA H 28 4.898 4.898 5.052 -0.154 25700 2434 1 5 . 1 1 28 28 ALA C C 28 176.720 176.720 175.615 1.105 25700 2435 1 5 . 1 1 28 28 ALA CA C 28 50.756 50.756 50.854 -0.098 25700 2436 1 5 . 1 1 28 28 ALA CB C 28 21.482 21.482 21.758 -0.276 25700 2437 1 5 . 1 1 28 28 ALA H H 28 8.065 8.065 8.122 -0.057 25700 2438 1 5 . 1 1 29 29 GLY N N 29 106.538 106.538 107.025 -0.487 25700 2439 1 5 . 1 1 29 29 GLY C C 29 172.866 172.866 170.894 1.972 25700 2440 1 5 . 1 1 29 29 GLY CA C 29 45.538 45.538 43.141 2.397 25700 2441 1 5 . 1 1 29 29 GLY H H 29 7.654 7.654 8.821 -1.167 25700 2442 1 5 . 1 1 30 30 SER N N 30 116.216 116.216 113.285 2.931 25700 2443 1 5 . 1 1 30 30 SER HA H 30 5.564 5.564 4.599 0.965 25700 2444 1 5 . 1 1 30 30 SER C C 30 172.216 172.216 172.657 -0.441 25700 2445 1 5 . 1 1 30 30 SER CA C 30 57.505 57.505 56.577 0.928 25700 2446 1 5 . 1 1 30 30 SER CB C 30 66.321 66.321 65.673 0.648 25700 2447 1 5 . 1 1 30 30 SER H H 30 9.185 9.185 7.791 1.394 25700 2448 1 5 . 1 1 31 31 TYR N N 31 118.467 118.467 116.963 1.504 25700 2449 1 5 . 1 1 31 31 TYR HA H 31 6.035 6.035 5.093 0.942 25700 2450 1 5 . 1 1 31 31 TYR C C 31 174.138 174.138 173.782 0.356 25700 2451 1 5 . 1 1 31 31 TYR CA C 31 55.806 55.806 56.436 -0.630 25700 2452 1 5 . 1 1 31 31 TYR CB C 31 43.091 43.091 41.452 1.639 25700 2453 1 5 . 1 1 31 31 TYR H H 31 9.215 9.215 8.701 0.514 25700 2454 1 5 . 1 1 32 32 LYS N N 32 121.086 121.086 119.806 1.280 25700 2455 1 5 . 1 1 32 32 LYS HA H 32 4.772 4.772 4.976 -0.204 25700 2456 1 5 . 1 1 32 32 LYS C C 32 173.750 173.750 174.190 -0.440 25700 2457 1 5 . 1 1 32 32 LYS CA C 32 56.495 56.495 55.411 1.084 25700 2458 1 5 . 1 1 32 32 LYS CB C 32 35.800 35.800 34.840 0.960 25700 2459 1 5 . 1 1 32 32 LYS H H 32 8.904 8.904 9.365 -0.461 25700 2460 1 5 . 1 1 33 33 LEU N N 33 128.296 128.296 127.071 1.225 25700 2461 1 5 . 1 1 33 33 LEU HA H 33 5.329 5.329 5.108 0.221 25700 2462 1 5 . 1 1 33 33 LEU C C 33 173.389 173.389 174.122 -0.733 25700 2463 1 5 . 1 1 33 33 LEU CA C 33 53.547 53.547 52.843 0.704 25700 2464 1 5 . 1 1 33 33 LEU CB C 33 45.460 45.460 45.066 0.394 25700 2465 1 5 . 1 1 33 33 LEU H H 33 9.663 9.663 9.017 0.646 25700 2466 1 5 . 1 1 34 34 ALA N N 34 129.791 129.791 129.980 -0.189 25700 2467 1 5 . 1 1 34 34 ALA HA H 34 5.419 5.419 5.112 0.307 25700 2468 1 5 . 1 1 34 34 ALA C C 34 176.313 176.313 175.275 1.038 25700 2469 1 5 . 1 1 34 34 ALA CA C 34 50.605 50.605 50.216 0.389 25700 2470 1 5 . 1 1 34 34 ALA CB C 34 21.237 21.237 22.291 -1.054 25700 2471 1 5 . 1 1 34 34 ALA H H 34 9.044 9.044 9.231 -0.187 25700 2472 1 5 . 1 1 35 35 VAL N N 35 124.532 124.532 123.908 0.624 25700 2473 1 5 . 1 1 35 35 VAL HA H 35 4.844 4.844 4.562 0.282 25700 2474 1 5 . 1 1 35 35 VAL C C 35 173.511 173.511 174.432 -0.921 25700 2475 1 5 . 1 1 35 35 VAL CA C 35 61.113 61.113 61.031 0.082 25700 2476 1 5 . 1 1 35 35 VAL CB C 35 35.152 35.152 34.629 0.523 25700 2477 1 5 . 1 1 35 35 VAL H H 35 9.332 9.332 8.481 0.851 25700 2478 1 5 . 1 1 36 36 ASP N N 36 127.077 127.077 126.797 0.280 25700 2479 1 5 . 1 1 36 36 ASP HA H 36 5.560 5.560 5.146 0.413 25700 2480 1 5 . 1 1 36 36 ASP C C 36 174.146 174.146 174.440 -0.294 25700 2481 1 5 . 1 1 36 36 ASP CA C 36 53.219 53.219 53.758 -0.539 25700 2482 1 5 . 1 1 36 36 ASP CB C 36 44.387 44.387 43.456 0.931 25700 2483 1 5 . 1 1 36 36 ASP H H 36 9.169 9.169 9.146 0.023 25700 2484 1 5 . 1 1 37 37 LYS N N 37 122.568 122.568 126.267 -3.699 25700 2485 1 5 . 1 1 37 37 LYS HA H 37 4.673 4.673 5.514 -0.841 25700 2486 1 5 . 1 1 37 37 LYS C C 37 173.710 173.710 174.662 -0.952 25700 2487 1 5 . 1 1 37 37 LYS CA C 37 54.410 54.410 54.613 -0.203 25700 2488 1 5 . 1 1 37 37 LYS CB C 37 34.907 34.907 35.752 -0.845 25700 2489 1 5 . 1 1 37 37 LYS H H 37 8.665 8.665 8.389 0.276 25700 2490 1 5 . 1 1 38 38 ALA N N 38 130.221 130.221 128.772 1.449 25700 2491 1 5 . 1 1 38 38 ALA HA H 38 4.983 4.983 5.055 -0.072 25700 2492 1 5 . 1 1 38 38 ALA C C 38 176.141 176.141 175.095 1.046 25700 2493 1 5 . 1 1 38 38 ALA CA C 38 51.093 51.093 51.495 -0.402 25700 2494 1 5 . 1 1 38 38 ALA CB C 38 21.778 21.778 21.672 0.106 25700 2495 1 5 . 1 1 38 38 ALA H H 38 8.798 8.798 9.125 -0.327 25700 2496 1 5 . 1 1 39 39 GLY N N 39 109.328 109.328 109.589 -0.261 25700 2497 1 5 . 1 1 39 39 GLY C C 39 174.208 174.208 174.264 -0.056 25700 2498 1 5 . 1 1 39 39 GLY CA C 39 44.645 44.645 44.516 0.129 25700 2499 1 5 . 1 1 39 39 GLY H H 39 7.851 7.851 8.560 -0.709 25700 2500 1 5 . 1 1 40 40 ALA N N 40 125.088 125.088 121.931 3.157 25700 2501 1 5 . 1 1 40 40 ALA HA H 40 4.051 4.051 4.195 -0.144 25700 2502 1 5 . 1 1 40 40 ALA C C 40 178.917 178.917 178.800 0.117 25700 2503 1 5 . 1 1 40 40 ALA CA C 40 54.841 54.841 54.468 0.373 25700 2504 1 5 . 1 1 40 40 ALA CB C 40 18.293 18.293 18.579 -0.286 25700 2505 1 5 . 1 1 40 40 ALA H H 40 8.766 8.766 8.404 0.362 25700 2506 1 5 . 1 1 41 41 ALA N N 41 117.569 117.569 119.817 -2.248 25700 2507 1 5 . 1 1 41 41 ALA HA H 41 4.419 4.419 4.445 -0.026 25700 2508 1 5 . 1 1 41 41 ALA C C 41 177.136 177.136 177.963 -0.827 25700 2509 1 5 . 1 1 41 41 ALA CA C 41 51.929 51.929 51.627 0.302 25700 2510 1 5 . 1 1 41 41 ALA CB C 41 18.774 18.774 19.230 -0.456 25700 2511 1 5 . 1 1 41 41 ALA H H 41 8.300 8.300 8.070 0.230 25700 2512 1 5 . 1 1 42 42 GLY N N 42 106.796 106.796 106.411 0.385 25700 2513 1 5 . 1 1 42 42 GLY C C 42 173.379 173.379 172.074 1.305 25700 2514 1 5 . 1 1 42 42 GLY CA C 42 44.336 44.336 44.391 -0.055 25700 2515 1 5 . 1 1 42 42 GLY H H 42 7.577 7.577 7.527 0.050 25700 2516 1 5 . 1 1 43 43 THR N N 43 116.541 116.541 112.576 3.965 25700 2517 1 5 . 1 1 43 43 THR HA H 43 5.263 5.263 5.277 -0.014 25700 2518 1 5 . 1 1 43 43 THR C C 43 174.244 174.244 174.198 0.046 25700 2519 1 5 . 1 1 43 43 THR CA C 43 61.137 61.137 60.439 0.698 25700 2520 1 5 . 1 1 43 43 THR CB C 43 70.759 70.759 70.743 0.016 25700 2521 1 5 . 1 1 43 43 THR H H 43 8.526 8.526 8.228 0.298 25700 2522 1 5 . 1 1 44 44 SER N N 44 120.903 120.903 121.426 -0.523 25700 2523 1 5 . 1 1 44 44 SER HA H 44 4.759 4.759 4.696 0.063 25700 2524 1 5 . 1 1 44 44 SER C C 44 172.241 172.241 173.459 -1.218 25700 2525 1 5 . 1 1 44 44 SER CA C 44 57.340 57.340 57.788 -0.448 25700 2526 1 5 . 1 1 44 44 SER CB C 44 65.568 65.568 65.531 0.037 25700 2527 1 5 . 1 1 44 44 SER H H 44 8.904 8.904 8.860 0.044 25700 2528 1 5 . 1 1 45 45 ARG N N 45 124.546 124.546 124.770 -0.224 25700 2529 1 5 . 1 1 45 45 ARG HA H 45 5.489 5.489 4.669 0.820 25700 2530 1 5 . 1 1 45 45 ARG C C 45 175.520 175.520 175.713 -0.193 25700 2531 1 5 . 1 1 45 45 ARG CA C 45 55.101 55.101 55.609 -0.508 25700 2532 1 5 . 1 1 45 45 ARG CB C 45 32.760 32.760 30.944 1.816 25700 2533 1 5 . 1 1 45 45 ARG H H 45 8.579 8.579 8.610 -0.031 25700 2534 1 5 . 1 1 46 46 ILE N N 46 127.920 127.920 128.996 -1.076 25700 2535 1 5 . 1 1 46 46 ILE HA H 46 4.460 4.460 4.322 0.138 25700 2536 1 5 . 1 1 46 46 ILE C C 46 174.450 174.450 174.416 0.034 25700 2537 1 5 . 1 1 46 46 ILE CA C 46 60.220 60.220 60.661 -0.441 25700 2538 1 5 . 1 1 46 46 ILE CB C 46 41.290 41.290 40.580 0.710 25700 2539 1 5 . 1 1 46 46 ILE H H 46 9.344 9.344 8.535 0.809 25700 2540 1 5 . 1 1 47 47 LYS N N 47 126.061 126.061 128.418 -2.357 25700 2541 1 5 . 1 1 47 47 LYS HA H 47 5.514 5.514 4.799 0.715 25700 2542 1 5 . 1 1 47 47 LYS C C 47 175.790 175.790 174.906 0.884 25700 2543 1 5 . 1 1 47 47 LYS CA C 47 54.870 54.870 55.541 -0.671 25700 2544 1 5 . 1 1 47 47 LYS CB C 47 35.386 35.386 34.177 1.209 25700 2545 1 5 . 1 1 47 47 LYS H H 47 8.734 8.734 8.602 0.132 25700 2546 1 5 . 1 1 48 48 GLN N N 48 122.633 122.633 125.409 -2.776 25700 2547 1 5 . 1 1 48 48 GLN HA H 48 4.669 4.669 4.657 0.012 25700 2548 1 5 . 1 1 48 48 GLN C C 48 173.659 173.659 173.616 0.043 25700 2549 1 5 . 1 1 48 48 GLN CA C 48 54.895 54.895 55.055 -0.160 25700 2550 1 5 . 1 1 48 48 GLN CB C 48 33.072 33.072 32.950 0.122 25700 2551 1 5 . 1 1 48 48 GLN H H 48 9.228 9.228 9.110 0.118 25700 2552 1 5 . 1 1 49 49 ALA N N 49 125.634 125.634 125.718 -0.084 25700 2553 1 5 . 1 1 49 49 ALA HA H 49 4.544 4.544 5.320 -0.776 25700 2554 1 5 . 1 1 49 49 ALA C C 49 175.881 175.881 176.156 -0.275 25700 2555 1 5 . 1 1 49 49 ALA CA C 49 50.993 50.993 51.203 -0.210 25700 2556 1 5 . 1 1 49 49 ALA CB C 49 22.620 22.620 21.618 1.002 25700 2557 1 5 . 1 1 49 49 ALA H H 49 8.557 8.557 8.492 0.065 25700 2558 1 5 . 1 1 50 50 GLY N N 50 105.483 105.483 109.043 -3.560 25700 2559 1 5 . 1 1 50 50 GLY C C 50 170.217 170.217 171.597 -1.380 25700 2560 1 5 . 1 1 50 50 GLY CA C 50 45.670 45.670 46.221 -0.551 25700 2561 1 5 . 1 1 50 50 GLY H H 50 6.865 6.865 8.672 -1.807 25700 2562 1 5 . 1 1 51 51 ALA N N 51 122.908 122.908 121.945 0.963 25700 2563 1 5 . 1 1 51 51 ALA HA H 51 5.265 5.265 4.810 0.455 25700 2564 1 5 . 1 1 51 51 ALA C C 51 176.793 176.793 175.113 1.680 25700 2565 1 5 . 1 1 51 51 ALA CA C 51 50.736 50.736 50.802 -0.066 25700 2566 1 5 . 1 1 51 51 ALA CB C 51 21.840 21.840 21.713 0.127 25700 2567 1 5 . 1 1 51 51 ALA H H 51 8.522 8.522 8.073 0.449 25700 2568 1 5 . 1 1 52 52 PHE N N 52 115.156 115.156 120.338 -5.182 25700 2569 1 5 . 1 1 52 52 PHE HA H 52 5.106 5.106 4.882 0.224 25700 2570 1 5 . 1 1 52 52 PHE C C 52 172.832 172.832 173.788 -0.956 25700 2571 1 5 . 1 1 52 52 PHE CA C 52 56.890 56.890 56.699 0.191 25700 2572 1 5 . 1 1 52 52 PHE CB C 52 42.428 42.428 42.647 -0.219 25700 2573 1 5 . 1 1 52 52 PHE H H 52 8.191 8.191 8.955 -0.764 25700 2574 1 5 . 1 1 53 53 THR N N 53 116.180 116.180 114.937 1.243 25700 2575 1 5 . 1 1 53 53 THR HA H 53 4.631 4.631 4.547 0.084 25700 2576 1 5 . 1 1 53 53 THR C C 53 172.769 172.769 173.148 -0.379 25700 2577 1 5 . 1 1 53 53 THR CA C 53 61.610 61.610 60.944 0.666 25700 2578 1 5 . 1 1 53 53 THR CB C 53 70.736 70.736 68.586 2.150 25700 2579 1 5 . 1 1 53 53 THR H H 53 8.650 8.650 6.666 1.984 25700 2580 1 5 . 1 1 54 54 ALA N N 54 127.969 127.969 128.652 -0.683 25700 2581 1 5 . 1 1 54 54 ALA HA H 54 4.748 4.748 4.788 -0.040 25700 2582 1 5 . 1 1 54 54 ALA C C 54 176.369 176.369 175.038 1.331 25700 2583 1 5 . 1 1 54 54 ALA CA C 54 51.397 51.397 50.379 1.018 25700 2584 1 5 . 1 1 54 54 ALA CB C 54 22.010 22.010 22.349 -0.339 25700 2585 1 5 . 1 1 54 54 ALA H H 54 9.353 9.353 8.732 0.621 25700 2586 1 5 . 1 1 55 55 ILE N N 55 123.326 123.326 121.228 2.098 25700 2587 1 5 . 1 1 55 55 ILE HA H 55 4.391 4.391 4.279 0.112 25700 2588 1 5 . 1 1 55 55 ILE C C 55 176.079 176.079 175.644 0.435 25700 2589 1 5 . 1 1 55 55 ILE CA C 55 59.138 59.138 59.817 -0.679 25700 2590 1 5 . 1 1 55 55 ILE CB C 55 39.451 39.451 40.463 -1.012 25700 2591 1 5 . 1 1 55 55 ILE H H 55 7.856 7.856 8.665 -0.809 25700 2592 1 5 . 1 1 56 56 ALA N N 56 130.280 130.280 128.416 1.864 25700 2593 1 5 . 1 1 56 56 ALA HA H 56 3.493 3.493 4.379 -0.886 25700 2594 1 5 . 1 1 56 56 ALA C C 56 177.405 177.405 177.716 -0.311 25700 2595 1 5 . 1 1 56 56 ALA CA C 56 54.156 54.156 52.423 1.733 25700 2596 1 5 . 1 1 56 56 ALA CB C 56 18.871 18.871 18.769 0.102 25700 2597 1 5 . 1 1 56 56 ALA H H 56 9.104 9.104 8.467 0.637 25700 2598 1 5 . 1 1 57 57 GLU N N 57 113.081 113.081 119.238 -6.157 25700 2599 1 5 . 1 1 57 57 GLU HA H 57 3.614 3.614 3.778 -0.164 25700 2600 1 5 . 1 1 57 57 GLU C C 57 174.959 174.959 175.429 -0.470 25700 2601 1 5 . 1 1 57 57 GLU CA C 57 58.080 58.080 57.639 0.442 25700 2602 1 5 . 1 1 57 57 GLU CB C 57 27.141 27.141 28.213 -1.073 25700 2603 1 5 . 1 1 57 57 GLU H H 57 9.007 9.007 8.807 0.200 25700 2604 1 5 . 1 1 58 58 GLN N N 58 119.796 119.796 117.560 2.236 25700 2605 1 5 . 1 1 58 58 GLN HA H 58 4.519 4.519 4.675 -0.156 25700 2606 1 5 . 1 1 58 58 GLN C C 58 175.217 175.217 174.833 0.384 25700 2607 1 5 . 1 1 58 58 GLN CA C 58 54.379 54.379 53.904 0.475 25700 2608 1 5 . 1 1 58 58 GLN CB C 58 30.102 30.102 31.982 -1.880 25700 2609 1 5 . 1 1 58 58 GLN H H 58 8.061 8.061 7.786 0.275 25700 2610 1 5 . 1 1 59 59 ARG N N 59 124.810 124.810 122.820 1.990 25700 2611 1 5 . 1 1 59 59 ARG HA H 59 4.286 4.286 4.475 -0.189 25700 2612 1 5 . 1 1 59 59 ARG C C 59 176.396 176.396 175.711 0.685 25700 2613 1 5 . 1 1 59 59 ARG CA C 59 56.810 56.810 55.315 1.495 25700 2614 1 5 . 1 1 59 59 ARG CB C 59 30.906 30.906 30.639 0.267 25700 2615 1 5 . 1 1 59 59 ARG H H 59 8.486 8.486 8.539 -0.053 25700 2616 1 5 . 1 1 60 60 VAL N N 60 127.238 127.238 127.812 -0.574 25700 2617 1 5 . 1 1 60 60 VAL HA H 60 4.319 4.319 4.366 -0.047 25700 2618 1 5 . 1 1 60 60 VAL C C 60 174.543 174.543 175.064 -0.521 25700 2619 1 5 . 1 1 60 60 VAL CA C 60 61.227 61.227 60.858 0.369 25700 2620 1 5 . 1 1 60 60 VAL CB C 60 34.177 34.177 33.220 0.957 25700 2621 1 5 . 1 1 60 60 VAL H H 60 9.033 9.033 9.061 -0.028 25700 2622 1 5 . 1 1 61 61 THR N N 61 120.913 120.913 123.767 -2.854 25700 2623 1 5 . 1 1 61 61 THR HA H 61 5.096 5.096 4.625 0.471 25700 2624 1 5 . 1 1 61 61 THR C C 61 174.645 174.645 173.540 1.105 25700 2625 1 5 . 1 1 61 61 THR CA C 61 60.686 60.686 62.102 -1.416 25700 2626 1 5 . 1 1 61 61 THR CB C 61 69.710 69.710 69.553 0.157 25700 2627 1 5 . 1 1 61 61 THR H H 61 8.340 8.340 8.611 -0.271 25700 2628 1 5 . 1 1 62 62 VAL N N 62 117.650 117.650 126.157 -8.507 25700 2629 1 5 . 1 1 62 62 VAL HA H 62 4.294 4.294 4.114 0.180 25700 2630 1 5 . 1 1 62 62 VAL C C 62 174.530 174.530 174.862 -0.332 25700 2631 1 5 . 1 1 62 62 VAL CA C 62 58.641 58.641 61.013 -2.372 25700 2632 1 5 . 1 1 62 62 VAL CB C 62 34.263 34.263 34.573 -0.310 25700 2633 1 5 . 1 1 62 62 VAL H H 62 8.658 8.658 9.014 -0.356 25700 2634 1 5 . 1 1 63 63 GLY N N 63 107.924 107.924 113.659 -5.735 25700 2635 1 5 . 1 1 63 63 GLY C C 63 172.475 172.475 173.566 -1.091 25700 2636 1 5 . 1 1 63 63 GLY CA C 63 43.668 43.668 44.622 -0.954 25700 2637 1 5 . 1 1 63 63 GLY H H 63 7.857 7.857 8.559 -0.702 25700 2638 1 5 . 1 1 64 64 ASN N N 64 116.073 116.073 120.475 -4.402 25700 2639 1 5 . 1 1 64 64 ASN HA H 64 4.530 4.530 4.678 -0.148 25700 2640 1 5 . 1 1 64 64 ASN C C 64 173.307 173.307 174.794 -1.487 25700 2641 1 5 . 1 1 64 64 ASN CA C 64 55.380 55.380 52.995 2.385 25700 2642 1 5 . 1 1 64 64 ASN CB C 64 39.159 39.159 38.276 0.883 25700 2643 1 5 . 1 1 64 64 ASN H H 64 8.933 8.933 8.320 0.613 25700 2644 1 5 . 1 1 65 65 VAL N N 65 126.612 126.612 123.544 3.068 25700 2645 1 5 . 1 1 65 65 VAL HA H 65 4.238 4.238 4.558 -0.320 25700 2646 1 5 . 1 1 65 65 VAL C C 65 173.538 173.538 174.002 -0.464 25700 2647 1 5 . 1 1 65 65 VAL CA C 65 61.970 61.970 60.281 1.689 25700 2648 1 5 . 1 1 65 65 VAL CB C 65 33.829 33.829 35.320 -1.491 25700 2649 1 5 . 1 1 65 65 VAL H H 65 8.548 8.548 8.281 0.267 25700 2650 1 5 . 1 1 66 66 VAL N N 66 127.886 127.886 125.324 2.562 25700 2651 1 5 . 1 1 66 66 VAL HA H 66 4.990 4.990 4.583 0.407 25700 2652 1 5 . 1 1 66 66 VAL C C 66 175.271 175.271 175.435 -0.164 25700 2653 1 5 . 1 1 66 66 VAL CA C 66 61.360 61.360 61.169 0.191 25700 2654 1 5 . 1 1 66 66 VAL CB C 66 32.923 32.923 33.325 -0.402 25700 2655 1 5 . 1 1 66 66 VAL H H 66 8.364 8.364 8.273 0.091 25700 2656 1 5 . 1 1 67 67 LEU N N 67 126.454 126.454 126.690 -0.236 25700 2657 1 5 . 1 1 67 67 LEU HA H 67 4.955 4.955 4.746 0.209 25700 2658 1 5 . 1 1 67 67 LEU C C 67 176.547 176.547 176.432 0.115 25700 2659 1 5 . 1 1 67 67 LEU CA C 67 52.492 52.492 51.799 0.693 25700 2660 1 5 . 1 1 67 67 LEU CB C 67 46.685 46.685 43.284 3.401 25700 2661 1 5 . 1 1 67 67 LEU H H 67 9.050 9.050 9.054 -0.004 25700 2662 1 5 . 1 1 68 68 ASP N N 68 119.799 119.799 119.258 0.541 25700 2663 1 5 . 1 1 68 68 ASP HA H 68 4.609 4.609 4.581 0.028 25700 2664 1 5 . 1 1 68 68 ASP C C 68 176.247 176.247 175.482 0.765 25700 2665 1 5 . 1 1 68 68 ASP CA C 68 55.492 55.492 53.697 1.796 25700 2666 1 5 . 1 1 68 68 ASP CB C 68 40.566 40.566 40.667 -0.101 25700 2667 1 5 . 1 1 68 68 ASP H H 68 8.722 8.722 8.487 0.235 25700 2668 1 5 . 1 1 69 69 TYR N N 69 123.398 123.398 125.555 -2.157 25700 2669 1 5 . 1 1 69 69 TYR HA H 69 4.651 4.651 4.424 0.227 25700 2670 1 5 . 1 1 69 69 TYR C C 69 174.253 174.253 174.323 -0.070 25700 2671 1 5 . 1 1 69 69 TYR CA C 69 57.767 57.767 59.404 -1.637 25700 2672 1 5 . 1 1 69 69 TYR CB C 69 40.067 40.067 38.739 1.328 25700 2673 1 5 . 1 1 69 69 TYR H H 69 8.603 8.603 7.780 0.823 25700 2674 1 5 . 1 1 70 70 SER N N 70 121.308 121.308 123.785 -2.477 25700 2675 1 5 . 1 1 70 70 SER HA H 70 4.059 4.059 4.277 -0.218 25700 2676 1 5 . 1 1 70 70 SER C C 70 174.851 174.851 174.534 0.317 25700 2677 1 5 . 1 1 70 70 SER CA C 70 56.341 56.341 56.574 -0.233 25700 2678 1 5 . 1 1 70 70 SER CB C 70 64.634 64.634 65.637 -1.003 25700 2679 1 5 . 1 1 70 70 SER H H 70 6.749 6.749 8.495 -1.746 25700 2680 1 5 . 1 1 71 71 SER N N 71 122.764 122.764 122.138 0.626 25700 2681 1 5 . 1 1 71 71 SER HA H 71 4.221 4.221 4.246 -0.025 25700 2682 1 5 . 1 1 71 71 SER C C 71 174.098 174.098 174.687 -0.589 25700 2683 1 5 . 1 1 71 71 SER CA C 71 60.326 60.326 60.680 -0.354 25700 2684 1 5 . 1 1 71 71 SER CB C 71 62.814 62.814 62.957 -0.143 25700 2685 1 5 . 1 1 71 71 SER H H 71 8.907 8.907 8.361 0.546 25700 2686 1 5 . 1 1 72 72 ALA N N 72 122.199 122.199 122.748 -0.549 25700 2687 1 5 . 1 1 72 72 ALA HA H 72 4.320 4.320 4.394 -0.074 25700 2688 1 5 . 1 1 72 72 ALA C C 72 177.749 177.749 176.603 1.146 25700 2689 1 5 . 1 1 72 72 ALA CA C 72 52.283 52.283 51.819 0.464 25700 2690 1 5 . 1 1 72 72 ALA CB C 72 18.950 18.950 18.618 0.332 25700 2691 1 5 . 1 1 72 72 ALA H H 72 7.869 7.869 7.693 0.176 25700 2692 1 5 . 1 1 73 73 ASN N N 73 116.297 116.297 117.113 -0.816 25700 2693 1 5 . 1 1 73 73 ASN HA H 73 5.076 5.076 4.563 0.513 25700 2694 1 5 . 1 1 73 73 ASN C C 73 173.794 173.794 174.333 -0.539 25700 2695 1 5 . 1 1 73 73 ASN CA C 73 51.612 51.612 52.447 -0.835 25700 2696 1 5 . 1 1 73 73 ASN CB C 73 40.647 40.647 39.861 0.786 25700 2697 1 5 . 1 1 73 73 ASN H H 73 7.265 7.265 7.449 -0.184 25700 2698 1 5 . 1 1 74 74 ARG N N 74 118.937 118.937 122.383 -3.446 25700 2699 1 5 . 1 1 74 74 ARG HA H 74 4.684 4.684 4.462 0.222 25700 2700 1 5 . 1 1 74 74 ARG C C 74 174.943 174.943 174.094 0.849 25700 2701 1 5 . 1 1 74 74 ARG CA C 74 54.523 54.523 53.992 0.530 25700 2702 1 5 . 1 1 74 74 ARG CB C 74 32.331 32.331 29.802 2.529 25700 2703 1 5 . 1 1 74 74 ARG H H 74 8.529 8.529 8.240 0.289 25700 2704 1 5 . 1 1 75 75 TYR N N 75 122.282 122.282 124.202 -1.920 25700 2705 1 5 . 1 1 75 75 TYR HA H 75 5.159 5.159 5.254 -0.095 25700 2706 1 5 . 1 1 75 75 TYR C C 75 173.593 173.593 174.350 -0.757 25700 2707 1 5 . 1 1 75 75 TYR CA C 75 57.080 57.080 56.511 0.569 25700 2708 1 5 . 1 1 75 75 TYR CB C 75 41.202 41.202 40.172 1.030 25700 2709 1 5 . 1 1 75 75 TYR H H 75 8.691 8.691 8.392 0.299 25700 2710 1 5 . 1 1 76 76 ALA N N 76 122.606 122.606 124.981 -2.375 25700 2711 1 5 . 1 1 76 76 ALA HA H 76 4.788 4.788 4.947 -0.159 25700 2712 1 5 . 1 1 76 76 ALA C C 76 175.765 175.765 174.785 0.980 25700 2713 1 5 . 1 1 76 76 ALA CA C 76 50.543 50.543 49.980 0.563 25700 2714 1 5 . 1 1 76 76 ALA CB C 76 23.070 23.070 22.939 0.131 25700 2715 1 5 . 1 1 76 76 ALA H H 76 8.688 8.688 9.300 -0.612 25700 2716 1 5 . 1 1 77 77 ALA N N 77 119.325 119.325 120.665 -1.340 25700 2717 1 5 . 1 1 77 77 ALA HA H 77 5.488 5.488 5.440 0.048 25700 2718 1 5 . 1 1 77 77 ALA C C 77 174.473 174.473 175.593 -1.120 25700 2719 1 5 . 1 1 77 77 ALA CA C 77 51.813 51.813 51.026 0.786 25700 2720 1 5 . 1 1 77 77 ALA CB C 77 24.137 24.137 22.779 1.358 25700 2721 1 5 . 1 1 77 77 ALA H H 77 8.584 8.584 8.117 0.467 25700 2722 1 5 . 1 1 78 78 ARG N N 78 122.822 122.822 118.647 4.175 25700 2723 1 5 . 1 1 78 78 ARG HA H 78 4.938 4.938 5.491 -0.553 25700 2724 1 5 . 1 1 78 78 ARG C C 78 173.170 173.170 173.774 -0.604 25700 2725 1 5 . 1 1 78 78 ARG CA C 78 54.890 54.890 54.843 0.048 25700 2726 1 5 . 1 1 78 78 ARG CB C 78 34.467 34.467 32.391 2.076 25700 2727 1 5 . 1 1 78 78 ARG H H 78 8.807 8.807 9.164 -0.357 25700 2728 1 5 . 1 1 79 79 LEU N N 79 130.548 130.548 127.399 3.149 25700 2729 1 5 . 1 1 79 79 LEU HA H 79 5.440 5.440 5.287 0.153 25700 2730 1 5 . 1 1 79 79 LEU C C 79 173.434 173.434 174.587 -1.153 25700 2731 1 5 . 1 1 79 79 LEU CA C 79 53.186 53.186 53.398 -0.211 25700 2732 1 5 . 1 1 79 79 LEU CB C 79 45.369 45.369 45.543 -0.174 25700 2733 1 5 . 1 1 79 79 LEU H H 79 9.055 9.055 9.005 0.050 25700 2734 1 5 . 1 1 80 80 ASP N N 80 125.928 125.928 128.342 -2.414 25700 2735 1 5 . 1 1 80 80 ASP HA H 80 5.480 5.480 5.456 0.024 25700 2736 1 5 . 1 1 80 80 ASP C C 80 175.805 175.805 175.472 0.333 25700 2737 1 5 . 1 1 80 80 ASP CA C 80 53.794 53.794 54.247 -0.453 25700 2738 1 5 . 1 1 80 80 ASP CB C 80 44.119 44.119 42.630 1.489 25700 2739 1 5 . 1 1 80 80 ASP H H 80 9.251 9.251 9.167 0.084 25700 2740 1 5 . 1 1 81 81 VAL N N 81 123.295 123.295 125.621 -2.326 25700 2741 1 5 . 1 1 81 81 VAL HA H 81 4.843 4.843 4.523 0.320 25700 2742 1 5 . 1 1 81 81 VAL C C 81 174.136 174.136 174.674 -0.538 25700 2743 1 5 . 1 1 81 81 VAL CA C 81 61.438 61.438 61.567 -0.129 25700 2744 1 5 . 1 1 81 81 VAL CB C 81 35.299 35.299 32.098 3.201 25700 2745 1 5 . 1 1 81 81 VAL H H 81 8.947 8.947 8.887 0.060 25700 2746 1 5 . 1 1 82 82 SER N N 82 122.698 122.698 123.735 -1.037 25700 2747 1 5 . 1 1 82 82 SER HA H 82 5.380 5.380 5.329 0.051 25700 2748 1 5 . 1 1 82 82 SER C C 82 173.016 173.016 173.371 -0.355 25700 2749 1 5 . 1 1 82 82 SER CA C 82 57.195 57.195 56.425 0.770 25700 2750 1 5 . 1 1 82 82 SER CB C 82 64.477 64.477 64.477 0.000 25700 2751 1 5 . 1 1 82 82 SER H H 82 9.026 9.026 8.797 0.229 25700 2752 1 5 . 1 1 83 83 PHE N N 83 127.305 127.305 128.039 -0.734 25700 2753 1 5 . 1 1 83 83 PHE HA H 83 4.781 4.781 4.916 -0.135 25700 2754 1 5 . 1 1 83 83 PHE C C 83 174.741 174.741 175.510 -0.769 25700 2755 1 5 . 1 1 83 83 PHE CA C 83 57.376 57.376 57.574 -0.198 25700 2756 1 5 . 1 1 83 83 PHE CB C 83 42.094 42.094 41.274 0.820 25700 2757 1 5 . 1 1 83 83 PHE H H 83 9.012 9.012 8.878 0.134 25700 2758 1 5 . 1 1 84 84 GLY N N 84 117.337 117.337 116.629 0.708 25700 2759 1 5 . 1 1 84 84 GLY C C 84 175.295 175.295 175.141 0.154 25700 2760 1 5 . 1 1 84 84 GLY CA C 84 47.086 47.086 46.632 0.454 25700 2761 1 5 . 1 1 84 84 GLY H H 84 8.784 8.784 8.535 0.249 25700 2762 1 5 . 1 1 85 85 SER N N 85 120.553 120.553 119.340 1.213 25700 2763 1 5 . 1 1 85 85 SER HA H 85 4.383 4.383 4.508 -0.125 25700 2764 1 5 . 1 1 85 85 SER C C 85 173.796 173.796 174.487 -0.691 25700 2765 1 5 . 1 1 85 85 SER CA C 85 59.095 59.095 58.306 0.790 25700 2766 1 5 . 1 1 85 85 SER CB C 85 63.360 63.360 64.170 -0.810 25700 2767 1 5 . 1 1 85 85 SER H H 85 8.687 8.687 8.353 0.334 25700 2768 1 5 . 1 1 86 86 VAL N N 86 121.297 121.297 122.968 -1.671 25700 2769 1 5 . 1 1 86 86 VAL HA H 86 4.504 4.504 4.282 0.222 25700 2770 1 5 . 1 1 86 86 VAL C C 86 174.888 174.888 174.061 0.827 25700 2771 1 5 . 1 1 86 86 VAL CA C 86 61.610 61.610 61.135 0.475 25700 2772 1 5 . 1 1 86 86 VAL CB C 86 34.210 34.210 33.318 0.892 25700 2773 1 5 . 1 1 86 86 VAL H H 86 7.963 7.963 7.720 0.243 25700 2774 1 5 . 1 1 87 87 THR N N 87 119.631 119.631 124.066 -4.435 25700 2775 1 5 . 1 1 87 87 THR HA H 87 5.551 5.551 5.407 0.144 25700 2776 1 5 . 1 1 87 87 THR C C 87 174.271 174.271 173.524 0.747 25700 2777 1 5 . 1 1 87 87 THR CA C 87 60.550 60.550 61.873 -1.323 25700 2778 1 5 . 1 1 87 87 THR CB C 87 71.350 71.350 69.972 1.377 25700 2779 1 5 . 1 1 87 87 THR H H 87 8.302 8.302 8.454 -0.152 25700 2780 1 5 . 1 1 88 88 ILE N N 88 118.811 118.811 121.684 -2.873 25700 2781 1 5 . 1 1 88 88 ILE HA H 88 4.858 4.858 4.850 0.008 25700 2782 1 5 . 1 1 88 88 ILE C C 88 174.300 174.300 173.599 0.701 25700 2783 1 5 . 1 1 88 88 ILE CA C 88 59.380 59.380 59.235 0.145 25700 2784 1 5 . 1 1 88 88 ILE CB C 88 43.170 43.170 42.177 0.993 25700 2785 1 5 . 1 1 88 88 ILE H H 88 8.986 8.986 8.721 0.265 25700 2786 1 5 . 1 1 89 89 GLN N N 89 120.806 120.806 119.010 1.796 25700 2787 1 5 . 1 1 89 89 GLN HA H 89 5.814 5.814 5.608 0.206 25700 2788 1 5 . 1 1 89 89 GLN C C 89 175.021 175.021 174.669 0.352 25700 2789 1 5 . 1 1 89 89 GLN CA C 89 54.171 54.171 54.394 -0.223 25700 2790 1 5 . 1 1 89 89 GLN CB C 89 34.262 34.262 32.676 1.585 25700 2791 1 5 . 1 1 89 89 GLN H H 89 8.481 8.481 8.433 0.048 25700 2792 1 5 . 1 1 90 90 CYS N N 90 118.531 118.531 116.584 1.947 25700 2793 1 5 . 1 1 90 90 CYS HA H 90 5.010 5.010 4.980 0.030 25700 2794 1 5 . 1 1 90 90 CYS C C 90 172.402 172.402 173.011 -0.609 25700 2795 1 5 . 1 1 90 90 CYS CA C 90 54.874 54.874 57.027 -2.153 25700 2796 1 5 . 1 1 90 90 CYS CB C 90 50.267 50.267 31.142 19.125 25700 2797 1 5 . 1 1 90 90 CYS H H 90 9.151 9.151 8.916 0.235 25700 2798 1 5 . 1 1 91 91 ASN N N 91 116.449 116.449 118.690 -2.241 25700 2799 1 5 . 1 1 91 91 ASN HA H 91 5.615 5.615 5.437 0.178 25700 2800 1 5 . 1 1 91 91 ASN C C 91 174.994 174.994 173.843 1.151 25700 2801 1 5 . 1 1 91 91 ASN CA C 91 52.484 52.484 52.146 0.338 25700 2802 1 5 . 1 1 91 91 ASN CB C 91 43.331 43.331 41.507 1.825 25700 2803 1 5 . 1 1 91 91 ASN H H 91 8.791 8.791 8.293 0.498 25700 2804 1 5 . 1 1 92 92 LEU N N 92 123.391 123.391 123.068 0.323 25700 2805 1 5 . 1 1 92 92 LEU HA H 92 4.286 4.286 4.459 -0.173 25700 2806 1 5 . 1 1 92 92 LEU C C 92 176.188 176.188 176.203 -0.015 25700 2807 1 5 . 1 1 92 92 LEU CA C 92 54.863 54.863 55.051 -0.188 25700 2808 1 5 . 1 1 92 92 LEU CB C 92 45.064 45.064 43.287 1.777 25700 2809 1 5 . 1 1 92 92 LEU H H 92 8.597 8.597 8.573 0.024 25700 2810 1 5 . 1 1 93 93 ASP N N 93 129.020 129.020 128.108 0.912 25700 2811 1 5 . 1 1 93 93 ASP HA H 93 5.160 5.160 4.919 0.241 25700 2812 1 5 . 1 1 93 93 ASP C C 93 175.761 175.761 175.682 0.079 25700 2813 1 5 . 1 1 93 93 ASP CA C 93 50.948 50.948 52.532 -1.584 25700 2814 1 5 . 1 1 93 93 ASP CB C 93 41.136 41.136 41.421 -0.285 25700 2815 1 5 . 1 1 93 93 ASP H H 93 9.146 9.146 8.761 0.385 25700 2816 1 5 . 1 1 94 94 PRO HA H 94 4.304 4.304 4.554 -0.250 25700 2817 1 5 . 1 1 94 94 PRO C C 94 178.637 178.637 178.214 0.423 25700 2818 1 5 . 1 1 94 94 PRO CA C 94 64.830 64.830 64.687 0.143 25700 2819 1 5 . 1 1 94 94 PRO CB C 94 32.579 32.579 32.205 0.374 25700 2820 1 5 . 1 1 95 95 GLU N N 95 116.747 116.747 117.316 -0.569 25700 2821 1 5 . 1 1 95 95 GLU HA H 95 4.223 4.223 4.229 -0.006 25700 2822 1 5 . 1 1 95 95 GLU C C 95 177.994 177.994 176.695 1.299 25700 2823 1 5 . 1 1 95 95 GLU CA C 95 57.773 57.773 57.473 0.300 25700 2824 1 5 . 1 1 95 95 GLU CB C 95 29.084 29.084 28.938 0.146 25700 2825 1 5 . 1 1 95 95 GLU H H 95 8.358 8.358 8.572 -0.214 25700 2826 1 5 . 1 1 96 96 THR N N 96 109.182 109.182 109.062 0.120 25700 2827 1 5 . 1 1 96 96 THR HA H 96 4.169 4.169 4.455 -0.286 25700 2828 1 5 . 1 1 96 96 THR C C 96 175.238 175.238 176.025 -0.787 25700 2829 1 5 . 1 1 96 96 THR CA C 96 63.038 63.038 62.733 0.305 25700 2830 1 5 . 1 1 96 96 THR CB C 96 69.640 69.640 69.531 0.109 25700 2831 1 5 . 1 1 96 96 THR H H 96 7.951 7.951 7.892 0.059 25700 2832 1 5 . 1 1 97 97 VAL N N 97 121.118 121.118 122.586 -1.468 25700 2833 1 5 . 1 1 97 97 VAL HA H 97 3.770 3.770 3.751 0.019 25700 2834 1 5 . 1 1 97 97 VAL C C 97 174.851 174.851 176.574 -1.723 25700 2835 1 5 . 1 1 97 97 VAL CA C 97 63.272 63.272 65.310 -2.038 25700 2836 1 5 . 1 1 97 97 VAL CB C 97 30.627 30.627 31.324 -0.697 25700 2837 1 5 . 1 1 97 97 VAL H H 97 7.175 7.175 7.385 -0.209 25700 2838 1 5 . 1 1 98 98 LYS N N 98 123.245 123.245 119.239 4.006 25700 2839 1 5 . 1 1 98 98 LYS HA H 98 4.385 4.385 4.197 0.188 25700 2840 1 5 . 1 1 98 98 LYS C C 98 175.612 175.612 176.161 -0.549 25700 2841 1 5 . 1 1 98 98 LYS CA C 98 55.812 55.812 56.793 -0.981 25700 2842 1 5 . 1 1 98 98 LYS CB C 98 33.804 33.804 30.522 3.282 25700 2843 1 5 . 1 1 98 98 LYS H H 98 7.712 7.712 8.284 -0.572 25700 2844 1 5 . 1 1 99 99 LEU N N 99 122.457 122.457 117.105 5.352 25700 2845 1 5 . 1 1 99 99 LEU HA H 99 4.123 4.123 3.649 0.474 25700 2846 1 5 . 1 1 99 99 LEU C C 99 177.160 177.160 175.294 1.866 25700 2847 1 5 . 1 1 99 99 LEU CA C 99 55.309 55.309 55.335 -0.026 25700 2848 1 5 . 1 1 99 99 LEU CB C 99 42.319 42.319 39.557 2.762 25700 2849 1 5 . 1 1 99 99 LEU H H 99 8.110 8.110 8.419 -0.309 25700 2850 1 5 . 1 1 100 100 GLU N N 100 120.800 120.800 118.776 2.024 25700 2851 1 5 . 1 1 100 100 GLU HA H 100 4.151 4.151 4.080 0.071 25700 2852 1 5 . 1 1 100 100 GLU C C 100 176.070 176.070 174.814 1.256 25700 2853 1 5 . 1 1 100 100 GLU CA C 100 56.740 56.740 56.575 0.166 25700 2854 1 5 . 1 1 100 100 GLU CB C 100 30.060 30.060 31.071 -1.011 25700 2855 1 5 . 1 1 100 100 GLU H H 100 8.340 8.340 7.568 0.772 25700 2856 1 6 . 1 1 2 2 VAL N N 2 123.080 123.080 120.245 2.835 25700 2857 1 6 . 1 1 2 2 VAL HA H 2 4.678 4.678 4.173 0.505 25700 2858 1 6 . 1 1 2 2 VAL C C 2 171.871 171.871 175.140 -3.269 25700 2859 1 6 . 1 1 2 2 VAL CA C 2 59.500 59.500 61.605 -2.106 25700 2860 1 6 . 1 1 2 2 VAL CB C 2 34.185 34.185 32.833 1.352 25700 2861 1 6 . 1 1 2 2 VAL H H 2 8.041 8.041 7.879 0.162 25700 2862 1 6 . 1 1 3 3 GLN N N 3 123.080 123.080 122.843 0.237 25700 2863 1 6 . 1 1 3 3 GLN HA H 3 4.660 4.660 4.762 -0.102 25700 2864 1 6 . 1 1 3 3 GLN CA C 3 54.109 54.109 53.031 1.078 25700 2865 1 6 . 1 1 3 3 GLN CB C 3 33.338 33.338 33.018 0.320 25700 2866 1 6 . 1 1 3 3 GLN H H 3 8.126 8.126 8.931 -0.805 25700 2867 1 6 . 1 1 4 4 CYS N N 4 115.260 115.260 115.817 -0.557 25700 2868 1 6 . 1 1 4 4 CYS HA H 4 5.676 5.676 5.485 0.191 25700 2869 1 6 . 1 1 4 4 CYS C C 4 171.720 171.720 173.234 -1.514 25700 2870 1 6 . 1 1 4 4 CYS CA C 4 53.402 53.402 56.468 -3.066 25700 2871 1 6 . 1 1 4 4 CYS CB C 4 45.525 45.525 31.613 13.912 25700 2872 1 6 . 1 1 4 4 CYS H H 4 8.909 8.909 8.457 0.452 25700 2873 1 6 . 1 1 5 5 GLU N N 5 117.764 117.764 120.512 -2.748 25700 2874 1 6 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.656 -0.177 25700 2875 1 6 . 1 1 5 5 GLU C C 5 174.088 174.088 174.280 -0.192 25700 2876 1 6 . 1 1 5 5 GLU CA C 5 54.838 54.838 55.257 -0.419 25700 2877 1 6 . 1 1 5 5 GLU CB C 5 34.155 34.155 34.136 0.019 25700 2878 1 6 . 1 1 5 5 GLU H H 5 8.580 8.580 9.263 -0.683 25700 2879 1 6 . 1 1 6 6 VAL N N 6 120.471 120.471 116.321 4.150 25700 2880 1 6 . 1 1 6 6 VAL HA H 6 4.427 4.427 4.313 0.114 25700 2881 1 6 . 1 1 6 6 VAL C C 6 174.211 174.211 174.245 -0.034 25700 2882 1 6 . 1 1 6 6 VAL CA C 6 61.540 61.540 60.922 0.618 25700 2883 1 6 . 1 1 6 6 VAL CB C 6 32.618 32.618 33.214 -0.596 25700 2884 1 6 . 1 1 6 6 VAL H H 6 8.588 8.588 8.295 0.293 25700 2885 1 6 . 1 1 7 7 GLU N N 7 125.816 125.816 124.807 1.009 25700 2886 1 6 . 1 1 7 7 GLU HA H 7 4.548 4.548 4.791 -0.243 25700 2887 1 6 . 1 1 7 7 GLU C C 7 174.194 174.194 174.921 -0.727 25700 2888 1 6 . 1 1 7 7 GLU CA C 7 54.524 54.524 54.155 0.369 25700 2889 1 6 . 1 1 7 7 GLU CB C 7 33.291 33.291 34.199 -0.908 25700 2890 1 6 . 1 1 7 7 GLU H H 7 8.820 8.820 8.624 0.196 25700 2891 1 6 . 1 1 8 8 ALA N N 8 122.882 122.882 122.569 0.313 25700 2892 1 6 . 1 1 8 8 ALA HA H 8 5.238 5.238 4.614 0.624 25700 2893 1 6 . 1 1 8 8 ALA C C 8 175.557 175.557 175.222 0.335 25700 2894 1 6 . 1 1 8 8 ALA CA C 8 49.950 49.950 51.201 -1.251 25700 2895 1 6 . 1 1 8 8 ALA CB C 8 22.730 22.730 21.709 1.020 25700 2896 1 6 . 1 1 8 8 ALA H H 8 8.410 8.410 8.534 -0.124 25700 2897 1 6 . 1 1 9 9 ALA N N 9 124.110 124.110 126.999 -2.889 25700 2898 1 6 . 1 1 9 9 ALA HA H 9 4.691 4.691 4.826 -0.135 25700 2899 1 6 . 1 1 9 9 ALA C C 9 176.300 176.300 175.503 0.797 25700 2900 1 6 . 1 1 9 9 ALA CA C 9 50.825 50.825 50.473 0.352 25700 2901 1 6 . 1 1 9 9 ALA CB C 9 21.240 21.240 20.365 0.875 25700 2902 1 6 . 1 1 9 9 ALA H H 9 8.407 8.407 8.932 -0.525 25700 2903 1 6 . 1 1 10 10 VAL N N 10 126.780 126.780 125.304 1.476 25700 2904 1 6 . 1 1 10 10 VAL HA H 10 4.379 4.379 4.439 -0.060 25700 2905 1 6 . 1 1 10 10 VAL C C 10 175.717 175.717 175.185 0.532 25700 2906 1 6 . 1 1 10 10 VAL CA C 10 61.580 61.580 61.623 -0.043 25700 2907 1 6 . 1 1 10 10 VAL CB C 10 32.209 32.209 32.878 -0.669 25700 2908 1 6 . 1 1 10 10 VAL H H 10 8.860 8.860 8.425 0.435 25700 2909 1 6 . 1 1 11 11 SER N N 11 120.868 120.868 122.949 -2.081 25700 2910 1 6 . 1 1 11 11 SER HA H 11 4.448 4.448 4.652 -0.204 25700 2911 1 6 . 1 1 11 11 SER C C 11 175.498 175.498 174.281 1.217 25700 2912 1 6 . 1 1 11 11 SER CA C 11 57.590 57.590 56.939 0.651 25700 2913 1 6 . 1 1 11 11 SER CB C 11 64.000 64.000 65.454 -1.454 25700 2914 1 6 . 1 1 11 11 SER H H 11 8.478 8.478 8.978 -0.500 25700 2915 1 6 . 1 1 12 12 GLY N N 12 116.896 116.896 107.504 9.392 25700 2916 1 6 . 1 1 12 12 GLY C C 12 174.994 174.994 174.517 0.477 25700 2917 1 6 . 1 1 12 12 GLY CA C 12 47.515 47.515 45.640 1.875 25700 2918 1 6 . 1 1 12 12 GLY H H 12 9.120 9.120 8.473 0.647 25700 2919 1 6 . 1 1 13 13 GLY N N 13 108.984 108.984 114.133 -5.149 25700 2920 1 6 . 1 1 13 13 GLY C C 13 174.440 174.440 173.430 1.010 25700 2921 1 6 . 1 1 13 13 GLY CA C 13 45.383 45.383 44.826 0.557 25700 2922 1 6 . 1 1 13 13 GLY H H 13 8.816 8.816 8.465 0.351 25700 2923 1 6 . 1 1 14 14 HIS N N 14 118.737 118.737 119.383 -0.646 25700 2924 1 6 . 1 1 14 14 HIS HA H 14 5.458 5.458 5.310 0.148 25700 2925 1 6 . 1 1 14 14 HIS C C 14 172.243 172.243 172.773 -0.530 25700 2926 1 6 . 1 1 14 14 HIS CA C 14 54.905 54.905 55.546 -0.641 25700 2927 1 6 . 1 1 14 14 HIS CB C 14 32.311 32.311 33.600 -1.290 25700 2928 1 6 . 1 1 14 14 HIS H H 14 8.084 8.084 7.517 0.567 25700 2929 1 6 . 1 1 15 15 VAL N N 15 120.204 120.204 123.629 -3.425 25700 2930 1 6 . 1 1 15 15 VAL HA H 15 4.932 4.932 4.910 0.022 25700 2931 1 6 . 1 1 15 15 VAL C C 15 172.314 172.314 174.059 -1.745 25700 2932 1 6 . 1 1 15 15 VAL CA C 15 58.540 58.540 59.720 -1.180 25700 2933 1 6 . 1 1 15 15 VAL CB C 15 34.285 34.285 34.486 -0.201 25700 2934 1 6 . 1 1 15 15 VAL H H 15 9.369 9.369 9.189 0.180 25700 2935 1 6 . 1 1 16 16 THR N N 16 123.685 123.685 126.036 -2.351 25700 2936 1 6 . 1 1 16 16 THR HA H 16 5.220 5.220 4.727 0.493 25700 2937 1 6 . 1 1 16 16 THR C C 16 174.478 174.478 172.883 1.595 25700 2938 1 6 . 1 1 16 16 THR CA C 16 61.481 61.481 62.445 -0.964 25700 2939 1 6 . 1 1 16 16 THR CB C 16 70.017 70.017 69.428 0.589 25700 2940 1 6 . 1 1 16 16 THR H H 16 8.604 8.604 9.081 -0.477 25700 2941 1 6 . 1 1 17 17 LEU N N 17 128.958 128.958 129.488 -0.530 25700 2942 1 6 . 1 1 17 17 LEU HA H 17 5.407 5.407 4.645 0.762 25700 2943 1 6 . 1 1 17 17 LEU C C 17 174.481 174.481 174.338 0.143 25700 2944 1 6 . 1 1 17 17 LEU CA C 17 53.999 53.999 54.085 -0.086 25700 2945 1 6 . 1 1 17 17 LEU CB C 17 44.108 44.108 44.573 -0.465 25700 2946 1 6 . 1 1 17 17 LEU H H 17 9.627 9.627 9.272 0.355 25700 2947 1 6 . 1 1 18 18 GLN N N 18 115.227 115.227 122.297 -7.070 25700 2948 1 6 . 1 1 18 18 GLN HA H 18 4.465 4.465 5.369 -0.904 25700 2949 1 6 . 1 1 18 18 GLN C C 18 174.042 174.042 174.987 -0.945 25700 2950 1 6 . 1 1 18 18 GLN CA C 18 53.725 53.725 53.827 -0.102 25700 2951 1 6 . 1 1 18 18 GLN CB C 18 31.767 31.767 34.191 -2.424 25700 2952 1 6 . 1 1 18 18 GLN H H 18 8.243 8.243 8.110 0.133 25700 2953 1 6 . 1 1 19 19 GLY N N 19 107.795 107.795 109.165 -1.370 25700 2954 1 6 . 1 1 19 19 GLY C C 19 172.005 172.005 172.404 -0.399 25700 2955 1 6 . 1 1 19 19 GLY CA C 19 44.485 44.485 43.841 0.644 25700 2956 1 6 . 1 1 19 19 GLY H H 19 9.100 9.100 9.058 0.042 25700 2957 1 6 . 1 1 20 20 VAL N N 20 120.951 120.951 126.328 -5.377 25700 2958 1 6 . 1 1 20 20 VAL HA H 20 4.634 4.634 4.197 0.437 25700 2959 1 6 . 1 1 20 20 VAL C C 20 175.670 175.670 175.132 0.538 25700 2960 1 6 . 1 1 20 20 VAL CA C 20 61.380 61.380 62.696 -1.316 25700 2961 1 6 . 1 1 20 20 VAL CB C 20 33.990 33.990 33.807 0.183 25700 2962 1 6 . 1 1 20 20 VAL H H 20 8.859 8.859 8.569 0.290 25700 2963 1 6 . 1 1 21 21 ILE N N 21 129.511 129.511 126.501 3.010 25700 2964 1 6 . 1 1 21 21 ILE HA H 21 4.443 4.443 4.619 -0.176 25700 2965 1 6 . 1 1 21 21 ILE C C 21 174.567 174.567 175.034 -0.467 25700 2966 1 6 . 1 1 21 21 ILE CA C 21 59.883 59.883 60.193 -0.310 25700 2967 1 6 . 1 1 21 21 ILE CB C 21 41.152 41.152 40.578 0.574 25700 2968 1 6 . 1 1 21 21 ILE H H 21 9.304 9.304 8.684 0.620 25700 2969 1 6 . 1 1 22 22 THR N N 22 120.311 120.311 125.367 -5.056 25700 2970 1 6 . 1 1 22 22 THR HA H 22 4.479 4.479 5.034 -0.555 25700 2971 1 6 . 1 1 22 22 THR C C 22 172.996 172.996 173.695 -0.699 25700 2972 1 6 . 1 1 22 22 THR CA C 22 61.647 61.647 62.485 -0.838 25700 2973 1 6 . 1 1 22 22 THR CB C 22 70.230 70.230 69.496 0.734 25700 2974 1 6 . 1 1 22 22 THR H H 22 8.063 8.063 8.629 -0.566 25700 2975 1 6 . 1 1 23 23 ALA N N 23 104.959 104.959 130.357 -25.398 25700 2976 1 6 . 1 1 23 23 ALA HA H 23 5.056 5.056 4.979 0.077 25700 2977 1 6 . 1 1 23 23 ALA C C 23 177.722 177.722 177.392 0.330 25700 2978 1 6 . 1 1 23 23 ALA CA C 23 49.963 49.963 49.992 -0.028 25700 2979 1 6 . 1 1 23 23 ALA CB C 23 22.915 22.915 21.376 1.539 25700 2980 1 6 . 1 1 23 23 ALA H H 23 9.764 9.764 8.634 1.130 25700 2981 1 6 . 1 1 24 24 VAL N N 24 113.370 113.370 122.621 -9.251 25700 2982 1 6 . 1 1 24 24 VAL HA H 24 4.083 4.083 4.153 -0.070 25700 2983 1 6 . 1 1 24 24 VAL C C 24 174.539 174.539 175.430 -0.891 25700 2984 1 6 . 1 1 24 24 VAL CA C 24 62.339 62.339 64.058 -1.719 25700 2985 1 6 . 1 1 24 24 VAL CB C 24 31.933 31.933 31.595 0.338 25700 2986 1 6 . 1 1 24 24 VAL H H 24 8.239 8.239 8.574 -0.335 25700 2987 1 6 . 1 1 25 25 ARG N N 25 116.002 116.002 118.977 -2.975 25700 2988 1 6 . 1 1 25 25 ARG HA H 25 4.740 4.740 4.590 0.150 25700 2989 1 6 . 1 1 25 25 ARG C C 25 172.797 172.797 174.640 -1.843 25700 2990 1 6 . 1 1 25 25 ARG CA C 25 53.284 53.284 54.089 -0.805 25700 2991 1 6 . 1 1 25 25 ARG CB C 25 33.542 33.542 32.906 0.636 25700 2992 1 6 . 1 1 25 25 ARG H H 25 7.308 7.308 7.757 -0.449 25700 2993 1 6 . 1 1 26 26 ASP N N 26 118.075 118.075 121.982 -3.907 25700 2994 1 6 . 1 1 26 26 ASP HA H 26 4.665 4.665 5.183 -0.518 25700 2995 1 6 . 1 1 26 26 ASP C C 26 177.721 177.721 176.282 1.439 25700 2996 1 6 . 1 1 26 26 ASP CA C 26 53.911 53.911 53.800 0.111 25700 2997 1 6 . 1 1 26 26 ASP CB C 26 41.143 41.143 41.535 -0.392 25700 2998 1 6 . 1 1 26 26 ASP H H 26 8.301 8.301 8.270 0.031 25700 2999 1 6 . 1 1 27 27 GLY N N 27 106.966 106.966 108.467 -1.501 25700 3000 1 6 . 1 1 27 27 GLY C C 27 170.472 170.472 172.133 -1.661 25700 3001 1 6 . 1 1 27 27 GLY CA C 27 46.213 46.213 44.963 1.250 25700 3002 1 6 . 1 1 27 27 GLY H H 27 8.276 8.276 8.531 -0.255 25700 3003 1 6 . 1 1 28 28 ALA N N 28 122.805 122.805 123.260 -0.455 25700 3004 1 6 . 1 1 28 28 ALA HA H 28 4.898 4.898 4.974 -0.076 25700 3005 1 6 . 1 1 28 28 ALA C C 28 176.720 176.720 175.574 1.146 25700 3006 1 6 . 1 1 28 28 ALA CA C 28 50.756 50.756 50.933 -0.177 25700 3007 1 6 . 1 1 28 28 ALA CB C 28 21.482 21.482 21.767 -0.285 25700 3008 1 6 . 1 1 28 28 ALA H H 28 8.065 8.065 8.140 -0.075 25700 3009 1 6 . 1 1 29 29 GLY N N 29 106.538 106.538 107.052 -0.514 25700 3010 1 6 . 1 1 29 29 GLY C C 29 172.866 172.866 170.733 2.133 25700 3011 1 6 . 1 1 29 29 GLY CA C 29 45.538 45.538 43.197 2.341 25700 3012 1 6 . 1 1 29 29 GLY H H 29 7.654 7.654 8.793 -1.139 25700 3013 1 6 . 1 1 30 30 SER N N 30 116.216 116.216 113.082 3.134 25700 3014 1 6 . 1 1 30 30 SER HA H 30 5.564 5.564 4.677 0.887 25700 3015 1 6 . 1 1 30 30 SER C C 30 172.216 172.216 172.589 -0.373 25700 3016 1 6 . 1 1 30 30 SER CA C 30 57.505 57.505 56.410 1.095 25700 3017 1 6 . 1 1 30 30 SER CB C 30 66.321 66.321 65.878 0.443 25700 3018 1 6 . 1 1 30 30 SER H H 30 9.185 9.185 7.713 1.472 25700 3019 1 6 . 1 1 31 31 TYR N N 31 118.467 118.467 117.193 1.274 25700 3020 1 6 . 1 1 31 31 TYR HA H 31 6.035 6.035 5.065 0.970 25700 3021 1 6 . 1 1 31 31 TYR C C 31 174.138 174.138 173.754 0.384 25700 3022 1 6 . 1 1 31 31 TYR CA C 31 55.806 55.806 56.434 -0.628 25700 3023 1 6 . 1 1 31 31 TYR CB C 31 43.091 43.091 41.537 1.554 25700 3024 1 6 . 1 1 31 31 TYR H H 31 9.215 9.215 8.822 0.393 25700 3025 1 6 . 1 1 32 32 LYS N N 32 121.086 121.086 119.579 1.507 25700 3026 1 6 . 1 1 32 32 LYS HA H 32 4.772 4.772 5.002 -0.230 25700 3027 1 6 . 1 1 32 32 LYS C C 32 173.750 173.750 174.357 -0.607 25700 3028 1 6 . 1 1 32 32 LYS CA C 32 56.495 56.495 55.117 1.378 25700 3029 1 6 . 1 1 32 32 LYS CB C 32 35.800 35.800 34.673 1.127 25700 3030 1 6 . 1 1 32 32 LYS H H 32 8.904 8.904 9.394 -0.490 25700 3031 1 6 . 1 1 33 33 LEU N N 33 128.296 128.296 127.492 0.804 25700 3032 1 6 . 1 1 33 33 LEU HA H 33 5.329 5.329 4.903 0.426 25700 3033 1 6 . 1 1 33 33 LEU C C 33 173.389 173.389 174.141 -0.752 25700 3034 1 6 . 1 1 33 33 LEU CA C 33 53.547 53.547 53.295 0.252 25700 3035 1 6 . 1 1 33 33 LEU CB C 33 45.460 45.460 44.772 0.688 25700 3036 1 6 . 1 1 33 33 LEU H H 33 9.663 9.663 9.306 0.357 25700 3037 1 6 . 1 1 34 34 ALA N N 34 129.791 129.791 130.494 -0.703 25700 3038 1 6 . 1 1 34 34 ALA HA H 34 5.419 5.419 5.573 -0.154 25700 3039 1 6 . 1 1 34 34 ALA C C 34 176.313 176.313 175.709 0.604 25700 3040 1 6 . 1 1 34 34 ALA CA C 34 50.605 50.605 49.731 0.874 25700 3041 1 6 . 1 1 34 34 ALA CB C 34 21.237 21.237 21.063 0.174 25700 3042 1 6 . 1 1 34 34 ALA H H 34 9.044 9.044 9.344 -0.300 25700 3043 1 6 . 1 1 35 35 VAL N N 35 124.532 124.532 125.606 -1.074 25700 3044 1 6 . 1 1 35 35 VAL HA H 35 4.844 4.844 4.405 0.439 25700 3045 1 6 . 1 1 35 35 VAL C C 35 173.511 173.511 174.598 -1.087 25700 3046 1 6 . 1 1 35 35 VAL CA C 35 61.113 61.113 61.911 -0.798 25700 3047 1 6 . 1 1 35 35 VAL CB C 35 35.152 35.152 34.423 0.729 25700 3048 1 6 . 1 1 35 35 VAL H H 35 9.332 9.332 8.882 0.450 25700 3049 1 6 . 1 1 36 36 ASP N N 36 127.077 127.077 126.826 0.251 25700 3050 1 6 . 1 1 36 36 ASP HA H 36 5.560 5.560 5.396 0.164 25700 3051 1 6 . 1 1 36 36 ASP C C 36 174.146 174.146 174.377 -0.231 25700 3052 1 6 . 1 1 36 36 ASP CA C 36 53.219 53.219 53.739 -0.520 25700 3053 1 6 . 1 1 36 36 ASP CB C 36 44.387 44.387 44.019 0.368 25700 3054 1 6 . 1 1 36 36 ASP H H 36 9.169 9.169 9.262 -0.093 25700 3055 1 6 . 1 1 37 37 LYS N N 37 122.568 122.568 126.331 -3.763 25700 3056 1 6 . 1 1 37 37 LYS HA H 37 4.673 4.673 5.390 -0.717 25700 3057 1 6 . 1 1 37 37 LYS C C 37 173.710 173.710 174.431 -0.721 25700 3058 1 6 . 1 1 37 37 LYS CA C 37 54.410 54.410 54.869 -0.459 25700 3059 1 6 . 1 1 37 37 LYS CB C 37 34.907 34.907 35.723 -0.816 25700 3060 1 6 . 1 1 37 37 LYS H H 37 8.665 8.665 9.068 -0.403 25700 3061 1 6 . 1 1 38 38 ALA N N 38 130.221 130.221 128.681 1.540 25700 3062 1 6 . 1 1 38 38 ALA HA H 38 4.983 4.983 5.301 -0.318 25700 3063 1 6 . 1 1 38 38 ALA C C 38 176.141 176.141 175.149 0.992 25700 3064 1 6 . 1 1 38 38 ALA CA C 38 51.093 51.093 50.876 0.217 25700 3065 1 6 . 1 1 38 38 ALA CB C 38 21.778 21.778 22.438 -0.660 25700 3066 1 6 . 1 1 38 38 ALA H H 38 8.798 8.798 9.194 -0.396 25700 3067 1 6 . 1 1 39 39 GLY N N 39 109.328 109.328 109.725 -0.397 25700 3068 1 6 . 1 1 39 39 GLY C C 39 174.208 174.208 174.405 -0.197 25700 3069 1 6 . 1 1 39 39 GLY CA C 39 44.645 44.645 44.668 -0.023 25700 3070 1 6 . 1 1 39 39 GLY H H 39 7.851 7.851 8.391 -0.540 25700 3071 1 6 . 1 1 40 40 ALA N N 40 125.088 125.088 121.794 3.294 25700 3072 1 6 . 1 1 40 40 ALA HA H 40 4.051 4.051 4.166 -0.115 25700 3073 1 6 . 1 1 40 40 ALA C C 40 178.917 178.917 178.543 0.374 25700 3074 1 6 . 1 1 40 40 ALA CA C 40 54.841 54.841 54.201 0.640 25700 3075 1 6 . 1 1 40 40 ALA CB C 40 18.293 18.293 18.513 -0.220 25700 3076 1 6 . 1 1 40 40 ALA H H 40 8.766 8.766 8.521 0.245 25700 3077 1 6 . 1 1 41 41 ALA N N 41 117.569 117.569 119.797 -2.228 25700 3078 1 6 . 1 1 41 41 ALA HA H 41 4.419 4.419 4.425 -0.006 25700 3079 1 6 . 1 1 41 41 ALA C C 41 177.136 177.136 177.766 -0.630 25700 3080 1 6 . 1 1 41 41 ALA CA C 41 51.929 51.929 51.958 -0.029 25700 3081 1 6 . 1 1 41 41 ALA CB C 41 18.774 18.774 18.909 -0.135 25700 3082 1 6 . 1 1 41 41 ALA H H 41 8.300 8.300 8.214 0.086 25700 3083 1 6 . 1 1 42 42 GLY N N 42 106.796 106.796 106.772 0.024 25700 3084 1 6 . 1 1 42 42 GLY C C 42 173.379 173.379 172.450 0.929 25700 3085 1 6 . 1 1 42 42 GLY CA C 42 44.336 44.336 44.250 0.086 25700 3086 1 6 . 1 1 42 42 GLY H H 42 7.577 7.577 7.593 -0.016 25700 3087 1 6 . 1 1 43 43 THR N N 43 116.541 116.541 112.498 4.043 25700 3088 1 6 . 1 1 43 43 THR HA H 43 5.263 5.263 5.444 -0.181 25700 3089 1 6 . 1 1 43 43 THR C C 43 174.244 174.244 174.230 0.014 25700 3090 1 6 . 1 1 43 43 THR CA C 43 61.137 61.137 60.530 0.607 25700 3091 1 6 . 1 1 43 43 THR CB C 43 70.759 70.759 70.748 0.012 25700 3092 1 6 . 1 1 43 43 THR H H 43 8.526 8.526 8.196 0.330 25700 3093 1 6 . 1 1 44 44 SER N N 44 120.903 120.903 121.912 -1.009 25700 3094 1 6 . 1 1 44 44 SER HA H 44 4.759 4.759 4.740 0.019 25700 3095 1 6 . 1 1 44 44 SER C C 44 172.241 172.241 172.851 -0.610 25700 3096 1 6 . 1 1 44 44 SER CA C 44 57.340 57.340 57.891 -0.551 25700 3097 1 6 . 1 1 44 44 SER CB C 44 65.568 65.568 65.543 0.025 25700 3098 1 6 . 1 1 44 44 SER H H 44 8.904 8.904 9.292 -0.388 25700 3099 1 6 . 1 1 45 45 ARG N N 45 124.546 124.546 127.674 -3.128 25700 3100 1 6 . 1 1 45 45 ARG HA H 45 5.489 5.489 5.028 0.461 25700 3101 1 6 . 1 1 45 45 ARG C C 45 175.520 175.520 175.810 -0.290 25700 3102 1 6 . 1 1 45 45 ARG CA C 45 55.101 55.101 55.687 -0.586 25700 3103 1 6 . 1 1 45 45 ARG CB C 45 32.760 32.760 31.627 1.133 25700 3104 1 6 . 1 1 45 45 ARG H H 45 8.579 8.579 8.707 -0.128 25700 3105 1 6 . 1 1 46 46 ILE N N 46 127.920 127.920 129.248 -1.328 25700 3106 1 6 . 1 1 46 46 ILE HA H 46 4.460 4.460 4.351 0.109 25700 3107 1 6 . 1 1 46 46 ILE C C 46 174.450 174.450 174.469 -0.019 25700 3108 1 6 . 1 1 46 46 ILE CA C 46 60.220 60.220 60.595 -0.375 25700 3109 1 6 . 1 1 46 46 ILE CB C 46 41.290 41.290 40.969 0.321 25700 3110 1 6 . 1 1 46 46 ILE H H 46 9.344 9.344 9.258 0.086 25700 3111 1 6 . 1 1 47 47 LYS N N 47 126.061 126.061 127.545 -1.484 25700 3112 1 6 . 1 1 47 47 LYS HA H 47 5.514 5.514 4.876 0.638 25700 3113 1 6 . 1 1 47 47 LYS C C 47 175.790 175.790 175.578 0.212 25700 3114 1 6 . 1 1 47 47 LYS CA C 47 54.870 54.870 55.097 -0.227 25700 3115 1 6 . 1 1 47 47 LYS CB C 47 35.386 35.386 34.022 1.364 25700 3116 1 6 . 1 1 47 47 LYS H H 47 8.734 8.734 8.647 0.087 25700 3117 1 6 . 1 1 48 48 GLN N N 48 122.633 122.633 126.230 -3.597 25700 3118 1 6 . 1 1 48 48 GLN HA H 48 4.669 4.669 4.704 -0.035 25700 3119 1 6 . 1 1 48 48 GLN C C 48 173.659 173.659 173.933 -0.274 25700 3120 1 6 . 1 1 48 48 GLN CA C 48 54.895 54.895 54.410 0.485 25700 3121 1 6 . 1 1 48 48 GLN CB C 48 33.072 33.072 31.975 1.097 25700 3122 1 6 . 1 1 48 48 GLN H H 48 9.228 9.228 9.280 -0.052 25700 3123 1 6 . 1 1 49 49 ALA N N 49 125.634 125.634 126.103 -0.469 25700 3124 1 6 . 1 1 49 49 ALA HA H 49 4.544 4.544 5.368 -0.824 25700 3125 1 6 . 1 1 49 49 ALA C C 49 175.881 175.881 176.196 -0.315 25700 3126 1 6 . 1 1 49 49 ALA CA C 49 50.993 50.993 51.053 -0.060 25700 3127 1 6 . 1 1 49 49 ALA CB C 49 22.620 22.620 21.992 0.628 25700 3128 1 6 . 1 1 49 49 ALA H H 49 8.557 8.557 8.524 0.033 25700 3129 1 6 . 1 1 50 50 GLY N N 50 105.483 105.483 108.676 -3.193 25700 3130 1 6 . 1 1 50 50 GLY C C 50 170.217 170.217 171.455 -1.238 25700 3131 1 6 . 1 1 50 50 GLY CA C 50 45.670 45.670 46.166 -0.496 25700 3132 1 6 . 1 1 50 50 GLY H H 50 6.865 6.865 8.554 -1.689 25700 3133 1 6 . 1 1 51 51 ALA N N 51 122.908 122.908 121.826 1.082 25700 3134 1 6 . 1 1 51 51 ALA HA H 51 5.265 5.265 4.965 0.300 25700 3135 1 6 . 1 1 51 51 ALA C C 51 176.793 176.793 175.349 1.444 25700 3136 1 6 . 1 1 51 51 ALA CA C 51 50.736 50.736 50.649 0.087 25700 3137 1 6 . 1 1 51 51 ALA CB C 51 21.840 21.840 21.278 0.562 25700 3138 1 6 . 1 1 51 51 ALA H H 51 8.522 8.522 8.175 0.347 25700 3139 1 6 . 1 1 52 52 PHE N N 52 115.156 115.156 122.869 -7.713 25700 3140 1 6 . 1 1 52 52 PHE HA H 52 5.106 5.106 4.994 0.112 25700 3141 1 6 . 1 1 52 52 PHE C C 52 172.832 172.832 173.844 -1.012 25700 3142 1 6 . 1 1 52 52 PHE CA C 52 56.890 56.890 56.591 0.299 25700 3143 1 6 . 1 1 52 52 PHE CB C 52 42.428 42.428 43.196 -0.767 25700 3144 1 6 . 1 1 52 52 PHE H H 52 8.191 8.191 8.833 -0.642 25700 3145 1 6 . 1 1 53 53 THR N N 53 116.180 116.180 114.078 2.102 25700 3146 1 6 . 1 1 53 53 THR HA H 53 4.631 4.631 4.585 0.046 25700 3147 1 6 . 1 1 53 53 THR C C 53 172.769 172.769 172.989 -0.220 25700 3148 1 6 . 1 1 53 53 THR CA C 53 61.610 61.610 60.745 0.866 25700 3149 1 6 . 1 1 53 53 THR CB C 53 70.736 70.736 68.743 1.993 25700 3150 1 6 . 1 1 53 53 THR H H 53 8.650 8.650 6.645 2.005 25700 3151 1 6 . 1 1 54 54 ALA N N 54 127.969 127.969 129.435 -1.466 25700 3152 1 6 . 1 1 54 54 ALA HA H 54 4.748 4.748 4.763 -0.015 25700 3153 1 6 . 1 1 54 54 ALA C C 54 176.369 176.369 175.405 0.964 25700 3154 1 6 . 1 1 54 54 ALA CA C 54 51.397 51.397 50.267 1.130 25700 3155 1 6 . 1 1 54 54 ALA CB C 54 22.010 22.010 21.861 0.149 25700 3156 1 6 . 1 1 54 54 ALA H H 54 9.353 9.353 8.314 1.039 25700 3157 1 6 . 1 1 55 55 ILE N N 55 123.326 123.326 121.527 1.799 25700 3158 1 6 . 1 1 55 55 ILE HA H 55 4.391 4.391 4.212 0.179 25700 3159 1 6 . 1 1 55 55 ILE C C 55 176.079 176.079 175.744 0.335 25700 3160 1 6 . 1 1 55 55 ILE CA C 55 59.138 59.138 60.061 -0.923 25700 3161 1 6 . 1 1 55 55 ILE CB C 55 39.451 39.451 40.283 -0.832 25700 3162 1 6 . 1 1 55 55 ILE H H 55 7.856 7.856 8.688 -0.832 25700 3163 1 6 . 1 1 56 56 ALA N N 56 130.280 130.280 128.658 1.622 25700 3164 1 6 . 1 1 56 56 ALA HA H 56 3.493 3.493 4.361 -0.868 25700 3165 1 6 . 1 1 56 56 ALA C C 56 177.405 177.405 177.878 -0.473 25700 3166 1 6 . 1 1 56 56 ALA CA C 56 54.156 54.156 52.651 1.505 25700 3167 1 6 . 1 1 56 56 ALA CB C 56 18.871 18.871 18.776 0.095 25700 3168 1 6 . 1 1 56 56 ALA H H 56 9.104 9.104 8.481 0.623 25700 3169 1 6 . 1 1 57 57 GLU N N 57 113.081 113.081 118.899 -5.818 25700 3170 1 6 . 1 1 57 57 GLU HA H 57 3.614 3.614 3.813 -0.199 25700 3171 1 6 . 1 1 57 57 GLU C C 57 174.959 174.959 175.369 -0.410 25700 3172 1 6 . 1 1 57 57 GLU CA C 57 58.080 58.080 57.832 0.248 25700 3173 1 6 . 1 1 57 57 GLU CB C 57 27.141 27.141 28.119 -0.978 25700 3174 1 6 . 1 1 57 57 GLU H H 57 9.007 9.007 8.855 0.152 25700 3175 1 6 . 1 1 58 58 GLN N N 58 119.796 119.796 118.460 1.336 25700 3176 1 6 . 1 1 58 58 GLN HA H 58 4.519 4.519 4.607 -0.088 25700 3177 1 6 . 1 1 58 58 GLN C C 58 175.217 175.217 175.139 0.078 25700 3178 1 6 . 1 1 58 58 GLN CA C 58 54.379 54.379 53.738 0.641 25700 3179 1 6 . 1 1 58 58 GLN CB C 58 30.102 30.102 31.003 -0.901 25700 3180 1 6 . 1 1 58 58 GLN H H 58 8.061 8.061 7.736 0.325 25700 3181 1 6 . 1 1 59 59 ARG N N 59 124.810 124.810 123.013 1.797 25700 3182 1 6 . 1 1 59 59 ARG HA H 59 4.286 4.286 4.466 -0.180 25700 3183 1 6 . 1 1 59 59 ARG C C 59 176.396 176.396 175.788 0.608 25700 3184 1 6 . 1 1 59 59 ARG CA C 59 56.810 56.810 56.182 0.628 25700 3185 1 6 . 1 1 59 59 ARG CB C 59 30.906 30.906 30.985 -0.079 25700 3186 1 6 . 1 1 59 59 ARG H H 59 8.486 8.486 8.595 -0.108 25700 3187 1 6 . 1 1 60 60 VAL N N 60 127.238 127.238 127.484 -0.246 25700 3188 1 6 . 1 1 60 60 VAL HA H 60 4.319 4.319 4.379 -0.060 25700 3189 1 6 . 1 1 60 60 VAL C C 60 174.543 174.543 174.984 -0.441 25700 3190 1 6 . 1 1 60 60 VAL CA C 60 61.227 61.227 61.039 0.188 25700 3191 1 6 . 1 1 60 60 VAL CB C 60 34.177 34.177 34.086 0.091 25700 3192 1 6 . 1 1 60 60 VAL H H 60 9.033 9.033 8.980 0.053 25700 3193 1 6 . 1 1 61 61 THR N N 61 120.913 120.913 124.283 -3.370 25700 3194 1 6 . 1 1 61 61 THR HA H 61 5.096 5.096 4.468 0.628 25700 3195 1 6 . 1 1 61 61 THR C C 61 174.645 174.645 173.383 1.262 25700 3196 1 6 . 1 1 61 61 THR CA C 61 60.686 60.686 62.377 -1.691 25700 3197 1 6 . 1 1 61 61 THR CB C 61 69.710 69.710 69.366 0.344 25700 3198 1 6 . 1 1 61 61 THR H H 61 8.340 8.340 8.584 -0.244 25700 3199 1 6 . 1 1 62 62 VAL N N 62 117.650 117.650 126.274 -8.624 25700 3200 1 6 . 1 1 62 62 VAL HA H 62 4.294 4.294 4.108 0.186 25700 3201 1 6 . 1 1 62 62 VAL C C 62 174.530 174.530 174.970 -0.440 25700 3202 1 6 . 1 1 62 62 VAL CA C 62 58.641 58.641 60.645 -2.005 25700 3203 1 6 . 1 1 62 62 VAL CB C 62 34.263 34.263 35.184 -0.921 25700 3204 1 6 . 1 1 62 62 VAL H H 62 8.658 8.658 8.938 -0.280 25700 3205 1 6 . 1 1 63 63 GLY N N 63 107.924 107.924 113.402 -5.478 25700 3206 1 6 . 1 1 63 63 GLY C C 63 172.475 172.475 173.019 -0.544 25700 3207 1 6 . 1 1 63 63 GLY CA C 63 43.668 43.668 44.564 -0.896 25700 3208 1 6 . 1 1 63 63 GLY H H 63 7.857 7.857 8.440 -0.583 25700 3209 1 6 . 1 1 64 64 ASN N N 64 116.073 116.073 121.857 -5.784 25700 3210 1 6 . 1 1 64 64 ASN HA H 64 4.530 4.530 4.663 -0.133 25700 3211 1 6 . 1 1 64 64 ASN C C 64 173.307 173.307 174.665 -1.358 25700 3212 1 6 . 1 1 64 64 ASN CA C 64 55.380 55.380 52.612 2.768 25700 3213 1 6 . 1 1 64 64 ASN CB C 64 39.159 39.159 39.078 0.081 25700 3214 1 6 . 1 1 64 64 ASN H H 64 8.933 8.933 8.267 0.666 25700 3215 1 6 . 1 1 65 65 VAL N N 65 126.612 126.612 127.066 -0.454 25700 3216 1 6 . 1 1 65 65 VAL HA H 65 4.238 4.238 4.268 -0.030 25700 3217 1 6 . 1 1 65 65 VAL C C 65 173.538 173.538 174.336 -0.798 25700 3218 1 6 . 1 1 65 65 VAL CA C 65 61.970 61.970 61.541 0.429 25700 3219 1 6 . 1 1 65 65 VAL CB C 65 33.829 33.829 34.546 -0.717 25700 3220 1 6 . 1 1 65 65 VAL H H 65 8.548 8.548 8.284 0.264 25700 3221 1 6 . 1 1 66 66 VAL N N 66 127.886 127.886 128.394 -0.508 25700 3222 1 6 . 1 1 66 66 VAL HA H 66 4.990 4.990 4.517 0.473 25700 3223 1 6 . 1 1 66 66 VAL C C 66 175.271 175.271 175.585 -0.314 25700 3224 1 6 . 1 1 66 66 VAL CA C 66 61.360 61.360 61.681 -0.321 25700 3225 1 6 . 1 1 66 66 VAL CB C 66 32.923 32.923 32.483 0.440 25700 3226 1 6 . 1 1 66 66 VAL H H 66 8.364 8.364 8.407 -0.043 25700 3227 1 6 . 1 1 67 67 LEU N N 67 126.454 126.454 127.778 -1.324 25700 3228 1 6 . 1 1 67 67 LEU HA H 67 4.955 4.955 4.704 0.251 25700 3229 1 6 . 1 1 67 67 LEU C C 67 176.547 176.547 176.194 0.353 25700 3230 1 6 . 1 1 67 67 LEU CA C 67 52.492 52.492 52.134 0.358 25700 3231 1 6 . 1 1 67 67 LEU CB C 67 46.685 46.685 43.351 3.334 25700 3232 1 6 . 1 1 67 67 LEU H H 67 9.050 9.050 9.046 0.004 25700 3233 1 6 . 1 1 68 68 ASP N N 68 119.799 119.799 118.942 0.857 25700 3234 1 6 . 1 1 68 68 ASP HA H 68 4.609 4.609 4.446 0.163 25700 3235 1 6 . 1 1 68 68 ASP C C 68 176.247 176.247 175.457 0.790 25700 3236 1 6 . 1 1 68 68 ASP CA C 68 55.492 55.492 53.629 1.863 25700 3237 1 6 . 1 1 68 68 ASP CB C 68 40.566 40.566 41.566 -1.000 25700 3238 1 6 . 1 1 68 68 ASP H H 68 8.722 8.722 8.482 0.240 25700 3239 1 6 . 1 1 69 69 TYR N N 69 123.398 123.398 124.006 -0.608 25700 3240 1 6 . 1 1 69 69 TYR HA H 69 4.651 4.651 4.671 -0.020 25700 3241 1 6 . 1 1 69 69 TYR C C 69 174.253 174.253 174.096 0.157 25700 3242 1 6 . 1 1 69 69 TYR CA C 69 57.767 57.767 58.166 -0.399 25700 3243 1 6 . 1 1 69 69 TYR CB C 69 40.067 40.067 38.940 1.127 25700 3244 1 6 . 1 1 69 69 TYR H H 69 8.603 8.603 7.859 0.744 25700 3245 1 6 . 1 1 70 70 SER N N 70 121.308 121.308 120.685 0.623 25700 3246 1 6 . 1 1 70 70 SER HA H 70 4.059 4.059 4.118 -0.059 25700 3247 1 6 . 1 1 70 70 SER C C 70 174.851 174.851 174.551 0.300 25700 3248 1 6 . 1 1 70 70 SER CA C 70 56.341 56.341 55.634 0.707 25700 3249 1 6 . 1 1 70 70 SER CB C 70 64.634 64.634 64.694 -0.060 25700 3250 1 6 . 1 1 70 70 SER H H 70 6.749 6.749 8.339 -1.590 25700 3251 1 6 . 1 1 71 71 SER N N 71 122.764 122.764 122.363 0.401 25700 3252 1 6 . 1 1 71 71 SER HA H 71 4.221 4.221 4.346 -0.125 25700 3253 1 6 . 1 1 71 71 SER C C 71 174.098 174.098 174.527 -0.429 25700 3254 1 6 . 1 1 71 71 SER CA C 71 60.326 60.326 59.645 0.681 25700 3255 1 6 . 1 1 71 71 SER CB C 71 62.814 62.814 62.940 -0.126 25700 3256 1 6 . 1 1 71 71 SER H H 71 8.907 8.907 8.345 0.562 25700 3257 1 6 . 1 1 72 72 ALA N N 72 122.199 122.199 121.610 0.589 25700 3258 1 6 . 1 1 72 72 ALA HA H 72 4.320 4.320 4.452 -0.132 25700 3259 1 6 . 1 1 72 72 ALA C C 72 177.749 177.749 177.059 0.690 25700 3260 1 6 . 1 1 72 72 ALA CA C 72 52.283 52.283 51.861 0.422 25700 3261 1 6 . 1 1 72 72 ALA CB C 72 18.950 18.950 19.293 -0.342 25700 3262 1 6 . 1 1 72 72 ALA H H 72 7.869 7.869 7.320 0.549 25700 3263 1 6 . 1 1 73 73 ASN N N 73 116.297 116.297 116.969 -0.672 25700 3264 1 6 . 1 1 73 73 ASN HA H 73 5.076 5.076 4.540 0.536 25700 3265 1 6 . 1 1 73 73 ASN C C 73 173.794 173.794 174.338 -0.544 25700 3266 1 6 . 1 1 73 73 ASN CA C 73 51.612 51.612 52.858 -1.246 25700 3267 1 6 . 1 1 73 73 ASN CB C 73 40.647 40.647 39.595 1.052 25700 3268 1 6 . 1 1 73 73 ASN H H 73 7.265 7.265 7.433 -0.168 25700 3269 1 6 . 1 1 74 74 ARG N N 74 118.937 118.937 122.606 -3.669 25700 3270 1 6 . 1 1 74 74 ARG HA H 74 4.684 4.684 4.457 0.227 25700 3271 1 6 . 1 1 74 74 ARG C C 74 174.943 174.943 174.181 0.762 25700 3272 1 6 . 1 1 74 74 ARG CA C 74 54.523 54.523 54.203 0.320 25700 3273 1 6 . 1 1 74 74 ARG CB C 74 32.331 32.331 30.031 2.300 25700 3274 1 6 . 1 1 74 74 ARG H H 74 8.529 8.529 8.392 0.137 25700 3275 1 6 . 1 1 75 75 TYR N N 75 122.282 122.282 124.367 -2.085 25700 3276 1 6 . 1 1 75 75 TYR HA H 75 5.159 5.159 5.178 -0.019 25700 3277 1 6 . 1 1 75 75 TYR C C 75 173.593 173.593 174.439 -0.846 25700 3278 1 6 . 1 1 75 75 TYR CA C 75 57.080 57.080 56.561 0.519 25700 3279 1 6 . 1 1 75 75 TYR CB C 75 41.202 41.202 40.043 1.159 25700 3280 1 6 . 1 1 75 75 TYR H H 75 8.691 8.691 8.381 0.310 25700 3281 1 6 . 1 1 76 76 ALA N N 76 122.606 122.606 125.041 -2.435 25700 3282 1 6 . 1 1 76 76 ALA HA H 76 4.788 4.788 4.881 -0.093 25700 3283 1 6 . 1 1 76 76 ALA C C 76 175.765 175.765 174.852 0.913 25700 3284 1 6 . 1 1 76 76 ALA CA C 76 50.543 50.543 49.948 0.595 25700 3285 1 6 . 1 1 76 76 ALA CB C 76 23.070 23.070 22.908 0.162 25700 3286 1 6 . 1 1 76 76 ALA H H 76 8.688 8.688 9.349 -0.661 25700 3287 1 6 . 1 1 77 77 ALA N N 77 119.325 119.325 120.370 -1.045 25700 3288 1 6 . 1 1 77 77 ALA HA H 77 5.488 5.488 5.181 0.307 25700 3289 1 6 . 1 1 77 77 ALA C C 77 174.473 174.473 175.297 -0.824 25700 3290 1 6 . 1 1 77 77 ALA CA C 77 51.813 51.813 51.194 0.619 25700 3291 1 6 . 1 1 77 77 ALA CB C 77 24.137 24.137 22.820 1.317 25700 3292 1 6 . 1 1 77 77 ALA H H 77 8.584 8.584 8.145 0.439 25700 3293 1 6 . 1 1 78 78 ARG N N 78 122.822 122.822 119.842 2.980 25700 3294 1 6 . 1 1 78 78 ARG HA H 78 4.938 4.938 5.517 -0.579 25700 3295 1 6 . 1 1 78 78 ARG C C 78 173.170 173.170 173.907 -0.737 25700 3296 1 6 . 1 1 78 78 ARG CA C 78 54.890 54.890 55.286 -0.396 25700 3297 1 6 . 1 1 78 78 ARG CB C 78 34.467 34.467 32.676 1.790 25700 3298 1 6 . 1 1 78 78 ARG H H 78 8.807 8.807 8.965 -0.158 25700 3299 1 6 . 1 1 79 79 LEU N N 79 130.548 130.548 127.221 3.327 25700 3300 1 6 . 1 1 79 79 LEU HA H 79 5.440 5.440 5.234 0.206 25700 3301 1 6 . 1 1 79 79 LEU C C 79 173.434 173.434 174.538 -1.104 25700 3302 1 6 . 1 1 79 79 LEU CA C 79 53.186 53.186 53.356 -0.170 25700 3303 1 6 . 1 1 79 79 LEU CB C 79 45.369 45.369 45.529 -0.160 25700 3304 1 6 . 1 1 79 79 LEU H H 79 9.055 9.055 8.723 0.332 25700 3305 1 6 . 1 1 80 80 ASP N N 80 125.928 125.928 127.904 -1.976 25700 3306 1 6 . 1 1 80 80 ASP HA H 80 5.480 5.480 5.404 0.076 25700 3307 1 6 . 1 1 80 80 ASP C C 80 175.805 175.805 175.224 0.581 25700 3308 1 6 . 1 1 80 80 ASP CA C 80 53.794 53.794 52.819 0.975 25700 3309 1 6 . 1 1 80 80 ASP CB C 80 44.119 44.119 43.029 1.090 25700 3310 1 6 . 1 1 80 80 ASP H H 80 9.251 9.251 9.265 -0.014 25700 3311 1 6 . 1 1 81 81 VAL N N 81 123.295 123.295 128.029 -4.734 25700 3312 1 6 . 1 1 81 81 VAL HA H 81 4.843 4.843 4.495 0.348 25700 3313 1 6 . 1 1 81 81 VAL C C 81 174.136 174.136 174.547 -0.411 25700 3314 1 6 . 1 1 81 81 VAL CA C 81 61.438 61.438 61.217 0.221 25700 3315 1 6 . 1 1 81 81 VAL CB C 81 35.299 35.299 32.399 2.900 25700 3316 1 6 . 1 1 81 81 VAL H H 81 8.947 8.947 8.996 -0.049 25700 3317 1 6 . 1 1 82 82 SER N N 82 122.698 122.698 123.586 -0.888 25700 3318 1 6 . 1 1 82 82 SER HA H 82 5.380 5.380 5.328 0.052 25700 3319 1 6 . 1 1 82 82 SER C C 82 173.016 173.016 173.468 -0.452 25700 3320 1 6 . 1 1 82 82 SER CA C 82 57.195 57.195 56.740 0.455 25700 3321 1 6 . 1 1 82 82 SER CB C 82 64.477 64.477 64.445 0.032 25700 3322 1 6 . 1 1 82 82 SER H H 82 9.026 9.026 8.733 0.293 25700 3323 1 6 . 1 1 83 83 PHE N N 83 127.305 127.305 128.101 -0.796 25700 3324 1 6 . 1 1 83 83 PHE HA H 83 4.781 4.781 4.974 -0.193 25700 3325 1 6 . 1 1 83 83 PHE C C 83 174.741 174.741 175.694 -0.953 25700 3326 1 6 . 1 1 83 83 PHE CA C 83 57.376 57.376 56.950 0.426 25700 3327 1 6 . 1 1 83 83 PHE CB C 83 42.094 42.094 40.997 1.097 25700 3328 1 6 . 1 1 83 83 PHE H H 83 9.012 9.012 8.792 0.220 25700 3329 1 6 . 1 1 84 84 GLY N N 84 117.337 117.337 116.765 0.572 25700 3330 1 6 . 1 1 84 84 GLY C C 84 175.295 175.295 175.167 0.128 25700 3331 1 6 . 1 1 84 84 GLY CA C 84 47.086 47.086 46.532 0.554 25700 3332 1 6 . 1 1 84 84 GLY H H 84 8.784 8.784 8.542 0.242 25700 3333 1 6 . 1 1 85 85 SER N N 85 120.553 120.553 119.739 0.814 25700 3334 1 6 . 1 1 85 85 SER HA H 85 4.383 4.383 4.449 -0.066 25700 3335 1 6 . 1 1 85 85 SER C C 85 173.796 173.796 174.675 -0.879 25700 3336 1 6 . 1 1 85 85 SER CA C 85 59.095 59.095 58.499 0.596 25700 3337 1 6 . 1 1 85 85 SER CB C 85 63.360 63.360 64.299 -0.939 25700 3338 1 6 . 1 1 85 85 SER H H 85 8.687 8.687 8.375 0.312 25700 3339 1 6 . 1 1 86 86 VAL N N 86 121.297 121.297 123.202 -1.905 25700 3340 1 6 . 1 1 86 86 VAL HA H 86 4.504 4.504 4.226 0.278 25700 3341 1 6 . 1 1 86 86 VAL C C 86 174.888 174.888 174.093 0.795 25700 3342 1 6 . 1 1 86 86 VAL CA C 86 61.610 61.610 61.904 -0.293 25700 3343 1 6 . 1 1 86 86 VAL CB C 86 34.210 34.210 33.715 0.495 25700 3344 1 6 . 1 1 86 86 VAL H H 86 7.963 7.963 7.556 0.407 25700 3345 1 6 . 1 1 87 87 THR N N 87 119.631 119.631 124.278 -4.647 25700 3346 1 6 . 1 1 87 87 THR HA H 87 5.551 5.551 5.454 0.097 25700 3347 1 6 . 1 1 87 87 THR C C 87 174.271 174.271 173.417 0.854 25700 3348 1 6 . 1 1 87 87 THR CA C 87 60.550 60.550 61.958 -1.407 25700 3349 1 6 . 1 1 87 87 THR CB C 87 71.350 71.350 69.696 1.654 25700 3350 1 6 . 1 1 87 87 THR H H 87 8.302 8.302 8.395 -0.093 25700 3351 1 6 . 1 1 88 88 ILE N N 88 118.811 118.811 122.105 -3.294 25700 3352 1 6 . 1 1 88 88 ILE HA H 88 4.858 4.858 4.869 -0.011 25700 3353 1 6 . 1 1 88 88 ILE C C 88 174.300 174.300 173.382 0.918 25700 3354 1 6 . 1 1 88 88 ILE CA C 88 59.380 59.380 59.323 0.057 25700 3355 1 6 . 1 1 88 88 ILE CB C 88 43.170 43.170 42.254 0.916 25700 3356 1 6 . 1 1 88 88 ILE H H 88 8.986 8.986 8.802 0.184 25700 3357 1 6 . 1 1 89 89 GLN N N 89 120.806 120.806 118.323 2.483 25700 3358 1 6 . 1 1 89 89 GLN HA H 89 5.814 5.814 5.647 0.167 25700 3359 1 6 . 1 1 89 89 GLN C C 89 175.021 175.021 174.773 0.248 25700 3360 1 6 . 1 1 89 89 GLN CA C 89 54.171 54.171 54.528 -0.357 25700 3361 1 6 . 1 1 89 89 GLN CB C 89 34.262 34.262 32.776 1.486 25700 3362 1 6 . 1 1 89 89 GLN H H 89 8.481 8.481 8.349 0.132 25700 3363 1 6 . 1 1 90 90 CYS N N 90 118.531 118.531 117.464 1.067 25700 3364 1 6 . 1 1 90 90 CYS HA H 90 5.010 5.010 5.004 0.006 25700 3365 1 6 . 1 1 90 90 CYS C C 90 172.402 172.402 173.122 -0.720 25700 3366 1 6 . 1 1 90 90 CYS CA C 90 54.874 54.874 56.636 -1.762 25700 3367 1 6 . 1 1 90 90 CYS CB C 90 50.267 50.267 31.330 18.937 25700 3368 1 6 . 1 1 90 90 CYS H H 90 9.151 9.151 8.872 0.279 25700 3369 1 6 . 1 1 91 91 ASN N N 91 116.449 116.449 118.850 -2.401 25700 3370 1 6 . 1 1 91 91 ASN HA H 91 5.615 5.615 5.483 0.132 25700 3371 1 6 . 1 1 91 91 ASN C C 91 174.994 174.994 173.828 1.166 25700 3372 1 6 . 1 1 91 91 ASN CA C 91 52.484 52.484 52.190 0.294 25700 3373 1 6 . 1 1 91 91 ASN CB C 91 43.331 43.331 41.606 1.725 25700 3374 1 6 . 1 1 91 91 ASN H H 91 8.791 8.791 8.264 0.527 25700 3375 1 6 . 1 1 92 92 LEU N N 92 123.391 123.391 122.226 1.165 25700 3376 1 6 . 1 1 92 92 LEU HA H 92 4.286 4.286 4.448 -0.162 25700 3377 1 6 . 1 1 92 92 LEU C C 92 176.188 176.188 176.247 -0.059 25700 3378 1 6 . 1 1 92 92 LEU CA C 92 54.863 54.863 54.660 0.203 25700 3379 1 6 . 1 1 92 92 LEU CB C 92 45.064 45.064 43.414 1.650 25700 3380 1 6 . 1 1 92 92 LEU H H 92 8.597 8.597 8.774 -0.177 25700 3381 1 6 . 1 1 93 93 ASP N N 93 129.020 129.020 127.637 1.383 25700 3382 1 6 . 1 1 93 93 ASP HA H 93 5.160 5.160 4.960 0.200 25700 3383 1 6 . 1 1 93 93 ASP C C 93 175.761 175.761 175.364 0.397 25700 3384 1 6 . 1 1 93 93 ASP CA C 93 50.948 50.948 52.637 -1.689 25700 3385 1 6 . 1 1 93 93 ASP CB C 93 41.136 41.136 41.855 -0.718 25700 3386 1 6 . 1 1 93 93 ASP H H 93 9.146 9.146 8.779 0.367 25700 3387 1 6 . 1 1 94 94 PRO HA H 94 4.304 4.304 4.634 -0.330 25700 3388 1 6 . 1 1 94 94 PRO C C 94 178.637 178.637 178.446 0.191 25700 3389 1 6 . 1 1 94 94 PRO CA C 94 64.830 64.830 64.885 -0.055 25700 3390 1 6 . 1 1 94 94 PRO CB C 94 32.579 32.579 32.112 0.467 25700 3391 1 6 . 1 1 95 95 GLU N N 95 116.747 116.747 117.829 -1.082 25700 3392 1 6 . 1 1 95 95 GLU HA H 95 4.223 4.223 4.201 0.022 25700 3393 1 6 . 1 1 95 95 GLU C C 95 177.994 177.994 176.893 1.101 25700 3394 1 6 . 1 1 95 95 GLU CA C 95 57.773 57.773 57.664 0.109 25700 3395 1 6 . 1 1 95 95 GLU CB C 95 29.084 29.084 28.891 0.193 25700 3396 1 6 . 1 1 95 95 GLU H H 95 8.358 8.358 8.695 -0.337 25700 3397 1 6 . 1 1 96 96 THR N N 96 109.182 109.182 108.090 1.092 25700 3398 1 6 . 1 1 96 96 THR HA H 96 4.169 4.169 4.474 -0.305 25700 3399 1 6 . 1 1 96 96 THR C C 96 175.238 175.238 175.635 -0.397 25700 3400 1 6 . 1 1 96 96 THR CA C 96 63.038 63.038 62.831 0.207 25700 3401 1 6 . 1 1 96 96 THR CB C 96 69.640 69.640 69.752 -0.112 25700 3402 1 6 . 1 1 96 96 THR H H 96 7.951 7.951 8.075 -0.124 25700 3403 1 6 . 1 1 97 97 VAL N N 97 121.118 121.118 121.295 -0.177 25700 3404 1 6 . 1 1 97 97 VAL HA H 97 3.770 3.770 3.819 -0.049 25700 3405 1 6 . 1 1 97 97 VAL C C 97 174.851 174.851 176.753 -1.902 25700 3406 1 6 . 1 1 97 97 VAL CA C 97 63.272 63.272 65.230 -1.958 25700 3407 1 6 . 1 1 97 97 VAL CB C 97 30.627 30.627 31.709 -1.081 25700 3408 1 6 . 1 1 97 97 VAL H H 97 7.175 7.175 7.415 -0.240 25700 3409 1 6 . 1 1 98 98 LYS N N 98 123.245 123.245 119.774 3.471 25700 3410 1 6 . 1 1 98 98 LYS HA H 98 4.385 4.385 4.356 0.029 25700 3411 1 6 . 1 1 98 98 LYS C C 98 175.612 175.612 175.868 -0.256 25700 3412 1 6 . 1 1 98 98 LYS CA C 98 55.812 55.812 55.891 -0.079 25700 3413 1 6 . 1 1 98 98 LYS CB C 98 33.804 33.804 30.291 3.513 25700 3414 1 6 . 1 1 98 98 LYS H H 98 7.712 7.712 8.145 -0.433 25700 3415 1 6 . 1 1 99 99 LEU N N 99 122.457 122.457 119.644 2.813 25700 3416 1 6 . 1 1 99 99 LEU HA H 99 4.123 4.123 3.968 0.155 25700 3417 1 6 . 1 1 99 99 LEU C C 99 177.160 177.160 176.581 0.579 25700 3418 1 6 . 1 1 99 99 LEU CA C 99 55.309 55.309 55.236 0.072 25700 3419 1 6 . 1 1 99 99 LEU CB C 99 42.319 42.319 38.775 3.544 25700 3420 1 6 . 1 1 99 99 LEU H H 99 8.110 8.110 8.753 -0.643 25700 3421 1 6 . 1 1 100 100 GLU N N 100 120.800 120.800 120.497 0.303 25700 3422 1 6 . 1 1 100 100 GLU HA H 100 4.151 4.151 4.281 -0.130 25700 3423 1 6 . 1 1 100 100 GLU C C 100 176.070 176.070 176.533 -0.463 25700 3424 1 6 . 1 1 100 100 GLU CA C 100 56.740 56.740 57.930 -1.190 25700 3425 1 6 . 1 1 100 100 GLU CB C 100 30.060 30.060 31.611 -1.551 25700 3426 1 6 . 1 1 100 100 GLU H H 100 8.340 8.340 8.474 -0.134 25700 3427 1 7 . 1 1 2 2 VAL N N 2 123.080 123.080 125.941 -2.861 25700 3428 1 7 . 1 1 2 2 VAL HA H 2 4.678 4.678 4.240 0.438 25700 3429 1 7 . 1 1 2 2 VAL C C 2 171.871 171.871 175.017 -3.146 25700 3430 1 7 . 1 1 2 2 VAL CA C 2 59.500 59.500 61.475 -1.975 25700 3431 1 7 . 1 1 2 2 VAL CB C 2 34.185 34.185 33.141 1.044 25700 3432 1 7 . 1 1 2 2 VAL H H 2 8.041 8.041 8.589 -0.548 25700 3433 1 7 . 1 1 3 3 GLN N N 3 123.080 123.080 121.858 1.222 25700 3434 1 7 . 1 1 3 3 GLN HA H 3 4.660 4.660 4.739 -0.079 25700 3435 1 7 . 1 1 3 3 GLN CA C 3 54.109 54.109 53.000 1.109 25700 3436 1 7 . 1 1 3 3 GLN CB C 3 33.338 33.338 32.883 0.456 25700 3437 1 7 . 1 1 3 3 GLN H H 3 8.126 8.126 9.013 -0.887 25700 3438 1 7 . 1 1 4 4 CYS N N 4 115.260 115.260 117.247 -1.987 25700 3439 1 7 . 1 1 4 4 CYS HA H 4 5.676 5.676 5.159 0.517 25700 3440 1 7 . 1 1 4 4 CYS C C 4 171.720 171.720 172.889 -1.169 25700 3441 1 7 . 1 1 4 4 CYS CA C 4 53.402 53.402 57.003 -3.601 25700 3442 1 7 . 1 1 4 4 CYS CB C 4 45.525 45.525 30.572 14.953 25700 3443 1 7 . 1 1 4 4 CYS H H 4 8.909 8.909 8.460 0.449 25700 3444 1 7 . 1 1 5 5 GLU N N 5 117.764 117.764 121.982 -4.218 25700 3445 1 7 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.674 -0.195 25700 3446 1 7 . 1 1 5 5 GLU C C 5 174.088 174.088 174.430 -0.342 25700 3447 1 7 . 1 1 5 5 GLU CA C 5 54.838 54.838 54.846 -0.008 25700 3448 1 7 . 1 1 5 5 GLU CB C 5 34.155 34.155 33.832 0.323 25700 3449 1 7 . 1 1 5 5 GLU H H 5 8.580 8.580 8.731 -0.151 25700 3450 1 7 . 1 1 6 6 VAL N N 6 120.471 120.471 115.667 4.804 25700 3451 1 7 . 1 1 6 6 VAL HA H 6 4.427 4.427 4.338 0.089 25700 3452 1 7 . 1 1 6 6 VAL C C 6 174.211 174.211 174.215 -0.004 25700 3453 1 7 . 1 1 6 6 VAL CA C 6 61.540 61.540 60.717 0.823 25700 3454 1 7 . 1 1 6 6 VAL CB C 6 32.618 32.618 32.930 -0.312 25700 3455 1 7 . 1 1 6 6 VAL H H 6 8.588 8.588 8.221 0.367 25700 3456 1 7 . 1 1 7 7 GLU N N 7 125.816 125.816 125.367 0.449 25700 3457 1 7 . 1 1 7 7 GLU HA H 7 4.548 4.548 4.770 -0.222 25700 3458 1 7 . 1 1 7 7 GLU C C 7 174.194 174.194 174.878 -0.684 25700 3459 1 7 . 1 1 7 7 GLU CA C 7 54.524 54.524 54.191 0.333 25700 3460 1 7 . 1 1 7 7 GLU CB C 7 33.291 33.291 33.915 -0.624 25700 3461 1 7 . 1 1 7 7 GLU H H 7 8.820 8.820 8.704 0.116 25700 3462 1 7 . 1 1 8 8 ALA N N 8 122.882 122.882 122.926 -0.044 25700 3463 1 7 . 1 1 8 8 ALA HA H 8 5.238 5.238 4.616 0.622 25700 3464 1 7 . 1 1 8 8 ALA C C 8 175.557 175.557 175.686 -0.129 25700 3465 1 7 . 1 1 8 8 ALA CA C 8 49.950 49.950 51.093 -1.143 25700 3466 1 7 . 1 1 8 8 ALA CB C 8 22.730 22.730 21.114 1.616 25700 3467 1 7 . 1 1 8 8 ALA H H 8 8.410 8.410 8.497 -0.087 25700 3468 1 7 . 1 1 9 9 ALA N N 9 124.110 124.110 128.232 -4.122 25700 3469 1 7 . 1 1 9 9 ALA HA H 9 4.691 4.691 4.791 -0.100 25700 3470 1 7 . 1 1 9 9 ALA C C 9 176.300 176.300 175.774 0.526 25700 3471 1 7 . 1 1 9 9 ALA CA C 9 50.825 50.825 50.538 0.286 25700 3472 1 7 . 1 1 9 9 ALA CB C 9 21.240 21.240 20.083 1.157 25700 3473 1 7 . 1 1 9 9 ALA H H 9 8.407 8.407 9.115 -0.708 25700 3474 1 7 . 1 1 10 10 VAL N N 10 126.780 126.780 125.240 1.540 25700 3475 1 7 . 1 1 10 10 VAL HA H 10 4.379 4.379 4.027 0.352 25700 3476 1 7 . 1 1 10 10 VAL C C 10 175.717 175.717 175.429 0.288 25700 3477 1 7 . 1 1 10 10 VAL CA C 10 61.580 61.580 62.051 -0.471 25700 3478 1 7 . 1 1 10 10 VAL CB C 10 32.209 32.209 31.667 0.542 25700 3479 1 7 . 1 1 10 10 VAL H H 10 8.860 8.860 8.524 0.336 25700 3480 1 7 . 1 1 11 11 SER N N 11 120.868 120.868 122.725 -1.857 25700 3481 1 7 . 1 1 11 11 SER HA H 11 4.448 4.448 4.491 -0.043 25700 3482 1 7 . 1 1 11 11 SER C C 11 175.498 175.498 174.085 1.413 25700 3483 1 7 . 1 1 11 11 SER CA C 11 57.590 57.590 56.650 0.940 25700 3484 1 7 . 1 1 11 11 SER CB C 11 64.000 64.000 65.066 -1.066 25700 3485 1 7 . 1 1 11 11 SER H H 11 8.478 8.478 8.712 -0.234 25700 3486 1 7 . 1 1 12 12 GLY N N 12 116.896 116.896 107.597 9.299 25700 3487 1 7 . 1 1 12 12 GLY C C 12 174.994 174.994 174.670 0.324 25700 3488 1 7 . 1 1 12 12 GLY CA C 12 47.515 47.515 46.137 1.378 25700 3489 1 7 . 1 1 12 12 GLY H H 12 9.120 9.120 8.421 0.699 25700 3490 1 7 . 1 1 13 13 GLY N N 13 108.984 108.984 113.955 -4.971 25700 3491 1 7 . 1 1 13 13 GLY C C 13 174.440 174.440 173.518 0.922 25700 3492 1 7 . 1 1 13 13 GLY CA C 13 45.383 45.383 45.152 0.231 25700 3493 1 7 . 1 1 13 13 GLY H H 13 8.816 8.816 8.747 0.069 25700 3494 1 7 . 1 1 14 14 HIS N N 14 118.737 118.737 116.679 2.058 25700 3495 1 7 . 1 1 14 14 HIS HA H 14 5.458 5.458 5.460 -0.002 25700 3496 1 7 . 1 1 14 14 HIS C C 14 172.243 172.243 172.916 -0.673 25700 3497 1 7 . 1 1 14 14 HIS CA C 14 54.905 54.905 54.245 0.660 25700 3498 1 7 . 1 1 14 14 HIS CB C 14 32.311 32.311 32.575 -0.264 25700 3499 1 7 . 1 1 14 14 HIS H H 14 8.084 8.084 7.356 0.728 25700 3500 1 7 . 1 1 15 15 VAL N N 15 120.204 120.204 124.051 -3.847 25700 3501 1 7 . 1 1 15 15 VAL HA H 15 4.932 4.932 4.663 0.269 25700 3502 1 7 . 1 1 15 15 VAL C C 15 172.314 172.314 174.207 -1.893 25700 3503 1 7 . 1 1 15 15 VAL CA C 15 58.540 58.540 59.778 -1.238 25700 3504 1 7 . 1 1 15 15 VAL CB C 15 34.285 34.285 34.063 0.222 25700 3505 1 7 . 1 1 15 15 VAL H H 15 9.369 9.369 9.167 0.202 25700 3506 1 7 . 1 1 16 16 THR N N 16 123.685 123.685 126.811 -3.126 25700 3507 1 7 . 1 1 16 16 THR HA H 16 5.220 5.220 4.967 0.253 25700 3508 1 7 . 1 1 16 16 THR C C 16 174.478 174.478 173.156 1.322 25700 3509 1 7 . 1 1 16 16 THR CA C 16 61.481 61.481 62.877 -1.397 25700 3510 1 7 . 1 1 16 16 THR CB C 16 70.017 70.017 69.342 0.675 25700 3511 1 7 . 1 1 16 16 THR H H 16 8.604 8.604 9.198 -0.594 25700 3512 1 7 . 1 1 17 17 LEU N N 17 128.958 128.958 129.497 -0.539 25700 3513 1 7 . 1 1 17 17 LEU HA H 17 5.407 5.407 4.682 0.725 25700 3514 1 7 . 1 1 17 17 LEU C C 17 174.481 174.481 174.420 0.061 25700 3515 1 7 . 1 1 17 17 LEU CA C 17 53.999 53.999 54.125 -0.126 25700 3516 1 7 . 1 1 17 17 LEU CB C 17 44.108 44.108 44.544 -0.436 25700 3517 1 7 . 1 1 17 17 LEU H H 17 9.627 9.627 9.234 0.393 25700 3518 1 7 . 1 1 18 18 GLN N N 18 115.227 115.227 122.068 -6.841 25700 3519 1 7 . 1 1 18 18 GLN HA H 18 4.465 4.465 5.295 -0.830 25700 3520 1 7 . 1 1 18 18 GLN C C 18 174.042 174.042 174.864 -0.822 25700 3521 1 7 . 1 1 18 18 GLN CA C 18 53.725 53.725 53.944 -0.219 25700 3522 1 7 . 1 1 18 18 GLN CB C 18 31.767 31.767 34.192 -2.425 25700 3523 1 7 . 1 1 18 18 GLN H H 18 8.243 8.243 8.367 -0.124 25700 3524 1 7 . 1 1 19 19 GLY N N 19 107.795 107.795 108.923 -1.128 25700 3525 1 7 . 1 1 19 19 GLY C C 19 172.005 172.005 172.353 -0.348 25700 3526 1 7 . 1 1 19 19 GLY CA C 19 44.485 44.485 43.868 0.617 25700 3527 1 7 . 1 1 19 19 GLY H H 19 9.100 9.100 9.097 0.003 25700 3528 1 7 . 1 1 20 20 VAL N N 20 120.951 120.951 127.783 -6.832 25700 3529 1 7 . 1 1 20 20 VAL HA H 20 4.634 4.634 4.169 0.465 25700 3530 1 7 . 1 1 20 20 VAL C C 20 175.670 175.670 175.365 0.305 25700 3531 1 7 . 1 1 20 20 VAL CA C 20 61.380 61.380 62.602 -1.222 25700 3532 1 7 . 1 1 20 20 VAL CB C 20 33.990 33.990 32.500 1.490 25700 3533 1 7 . 1 1 20 20 VAL H H 20 8.859 8.859 8.585 0.274 25700 3534 1 7 . 1 1 21 21 ILE N N 21 129.511 129.511 131.439 -1.928 25700 3535 1 7 . 1 1 21 21 ILE HA H 21 4.443 4.443 4.431 0.012 25700 3536 1 7 . 1 1 21 21 ILE C C 21 174.567 174.567 175.424 -0.857 25700 3537 1 7 . 1 1 21 21 ILE CA C 21 59.883 59.883 60.295 -0.412 25700 3538 1 7 . 1 1 21 21 ILE CB C 21 41.152 41.152 38.721 2.430 25700 3539 1 7 . 1 1 21 21 ILE H H 21 9.304 9.304 9.250 0.054 25700 3540 1 7 . 1 1 22 22 THR N N 22 120.311 120.311 125.935 -5.624 25700 3541 1 7 . 1 1 22 22 THR HA H 22 4.479 4.479 4.889 -0.410 25700 3542 1 7 . 1 1 22 22 THR C C 22 172.996 172.996 173.449 -0.453 25700 3543 1 7 . 1 1 22 22 THR CA C 22 61.647 61.647 62.592 -0.945 25700 3544 1 7 . 1 1 22 22 THR CB C 22 70.230 70.230 69.498 0.732 25700 3545 1 7 . 1 1 22 22 THR H H 22 8.063 8.063 8.490 -0.427 25700 3546 1 7 . 1 1 23 23 ALA N N 23 104.959 104.959 129.117 -24.158 25700 3547 1 7 . 1 1 23 23 ALA HA H 23 5.056 5.056 4.882 0.174 25700 3548 1 7 . 1 1 23 23 ALA C C 23 177.722 177.722 177.236 0.486 25700 3549 1 7 . 1 1 23 23 ALA CA C 23 49.963 49.963 50.110 -0.147 25700 3550 1 7 . 1 1 23 23 ALA CB C 23 22.915 22.915 20.921 1.994 25700 3551 1 7 . 1 1 23 23 ALA H H 23 9.764 9.764 8.573 1.191 25700 3552 1 7 . 1 1 24 24 VAL N N 24 113.370 113.370 122.431 -9.061 25700 3553 1 7 . 1 1 24 24 VAL HA H 24 4.083 4.083 3.941 0.142 25700 3554 1 7 . 1 1 24 24 VAL C C 24 174.539 174.539 175.384 -0.845 25700 3555 1 7 . 1 1 24 24 VAL CA C 24 62.339 62.339 64.158 -1.819 25700 3556 1 7 . 1 1 24 24 VAL CB C 24 31.933 31.933 31.832 0.101 25700 3557 1 7 . 1 1 24 24 VAL H H 24 8.239 8.239 8.204 0.035 25700 3558 1 7 . 1 1 25 25 ARG N N 25 116.002 116.002 118.100 -2.098 25700 3559 1 7 . 1 1 25 25 ARG HA H 25 4.740 4.740 4.555 0.185 25700 3560 1 7 . 1 1 25 25 ARG C C 25 172.797 172.797 174.957 -2.160 25700 3561 1 7 . 1 1 25 25 ARG CA C 25 53.284 53.284 53.721 -0.437 25700 3562 1 7 . 1 1 25 25 ARG CB C 25 33.542 33.542 32.847 0.695 25700 3563 1 7 . 1 1 25 25 ARG H H 25 7.308 7.308 7.710 -0.402 25700 3564 1 7 . 1 1 26 26 ASP N N 26 118.075 118.075 122.495 -4.420 25700 3565 1 7 . 1 1 26 26 ASP HA H 26 4.665 4.665 5.115 -0.450 25700 3566 1 7 . 1 1 26 26 ASP C C 26 177.721 177.721 175.794 1.927 25700 3567 1 7 . 1 1 26 26 ASP CA C 26 53.911 53.911 53.605 0.306 25700 3568 1 7 . 1 1 26 26 ASP CB C 26 41.143 41.143 41.650 -0.507 25700 3569 1 7 . 1 1 26 26 ASP H H 26 8.301 8.301 8.435 -0.134 25700 3570 1 7 . 1 1 27 27 GLY N N 27 106.966 106.966 109.282 -2.316 25700 3571 1 7 . 1 1 27 27 GLY C C 27 170.472 170.472 172.028 -1.556 25700 3572 1 7 . 1 1 27 27 GLY CA C 27 46.213 46.213 45.152 1.061 25700 3573 1 7 . 1 1 27 27 GLY H H 27 8.276 8.276 8.779 -0.503 25700 3574 1 7 . 1 1 28 28 ALA N N 28 122.805 122.805 123.095 -0.290 25700 3575 1 7 . 1 1 28 28 ALA HA H 28 4.898 4.898 4.995 -0.097 25700 3576 1 7 . 1 1 28 28 ALA C C 28 176.720 176.720 175.637 1.083 25700 3577 1 7 . 1 1 28 28 ALA CA C 28 50.756 50.756 50.862 -0.106 25700 3578 1 7 . 1 1 28 28 ALA CB C 28 21.482 21.482 21.758 -0.276 25700 3579 1 7 . 1 1 28 28 ALA H H 28 8.065 8.065 8.140 -0.075 25700 3580 1 7 . 1 1 29 29 GLY N N 29 106.538 106.538 107.148 -0.610 25700 3581 1 7 . 1 1 29 29 GLY C C 29 172.866 172.866 171.143 1.723 25700 3582 1 7 . 1 1 29 29 GLY CA C 29 45.538 45.538 43.563 1.975 25700 3583 1 7 . 1 1 29 29 GLY H H 29 7.654 7.654 8.488 -0.834 25700 3584 1 7 . 1 1 30 30 SER N N 30 116.216 116.216 114.075 2.141 25700 3585 1 7 . 1 1 30 30 SER HA H 30 5.564 5.564 4.460 1.104 25700 3586 1 7 . 1 1 30 30 SER C C 30 172.216 172.216 172.577 -0.361 25700 3587 1 7 . 1 1 30 30 SER CA C 30 57.505 57.505 57.026 0.479 25700 3588 1 7 . 1 1 30 30 SER CB C 30 66.321 66.321 65.741 0.580 25700 3589 1 7 . 1 1 30 30 SER H H 30 9.185 9.185 7.783 1.402 25700 3590 1 7 . 1 1 31 31 TYR N N 31 118.467 118.467 116.561 1.906 25700 3591 1 7 . 1 1 31 31 TYR HA H 31 6.035 6.035 5.101 0.934 25700 3592 1 7 . 1 1 31 31 TYR C C 31 174.138 174.138 173.806 0.332 25700 3593 1 7 . 1 1 31 31 TYR CA C 31 55.806 55.806 56.357 -0.551 25700 3594 1 7 . 1 1 31 31 TYR CB C 31 43.091 43.091 41.395 1.696 25700 3595 1 7 . 1 1 31 31 TYR H H 31 9.215 9.215 8.638 0.577 25700 3596 1 7 . 1 1 32 32 LYS N N 32 121.086 121.086 119.932 1.154 25700 3597 1 7 . 1 1 32 32 LYS HA H 32 4.772 4.772 4.809 -0.037 25700 3598 1 7 . 1 1 32 32 LYS C C 32 173.750 173.750 174.217 -0.467 25700 3599 1 7 . 1 1 32 32 LYS CA C 32 56.495 56.495 55.274 1.221 25700 3600 1 7 . 1 1 32 32 LYS CB C 32 35.800 35.800 34.601 1.199 25700 3601 1 7 . 1 1 32 32 LYS H H 32 8.904 8.904 9.329 -0.425 25700 3602 1 7 . 1 1 33 33 LEU N N 33 128.296 128.296 127.404 0.892 25700 3603 1 7 . 1 1 33 33 LEU HA H 33 5.329 5.329 5.168 0.161 25700 3604 1 7 . 1 1 33 33 LEU C C 33 173.389 173.389 174.717 -1.328 25700 3605 1 7 . 1 1 33 33 LEU CA C 33 53.547 53.547 53.433 0.114 25700 3606 1 7 . 1 1 33 33 LEU CB C 33 45.460 45.460 44.151 1.310 25700 3607 1 7 . 1 1 33 33 LEU H H 33 9.663 9.663 8.111 1.552 25700 3608 1 7 . 1 1 34 34 ALA N N 34 129.791 129.791 130.439 -0.648 25700 3609 1 7 . 1 1 34 34 ALA HA H 34 5.419 5.419 4.919 0.500 25700 3610 1 7 . 1 1 34 34 ALA C C 34 176.313 176.313 175.111 1.202 25700 3611 1 7 . 1 1 34 34 ALA CA C 34 50.605 50.605 50.200 0.404 25700 3612 1 7 . 1 1 34 34 ALA CB C 34 21.237 21.237 22.541 -1.304 25700 3613 1 7 . 1 1 34 34 ALA H H 34 9.044 9.044 9.336 -0.292 25700 3614 1 7 . 1 1 35 35 VAL N N 35 124.532 124.532 122.521 2.011 25700 3615 1 7 . 1 1 35 35 VAL HA H 35 4.844 4.844 4.547 0.297 25700 3616 1 7 . 1 1 35 35 VAL C C 35 173.511 173.511 174.357 -0.846 25700 3617 1 7 . 1 1 35 35 VAL CA C 35 61.113 61.113 61.039 0.074 25700 3618 1 7 . 1 1 35 35 VAL CB C 35 35.152 35.152 34.737 0.415 25700 3619 1 7 . 1 1 35 35 VAL H H 35 9.332 9.332 9.094 0.238 25700 3620 1 7 . 1 1 36 36 ASP N N 36 127.077 127.077 127.916 -0.839 25700 3621 1 7 . 1 1 36 36 ASP HA H 36 5.560 5.560 5.077 0.483 25700 3622 1 7 . 1 1 36 36 ASP C C 36 174.146 174.146 174.415 -0.269 25700 3623 1 7 . 1 1 36 36 ASP CA C 36 53.219 53.219 54.078 -0.859 25700 3624 1 7 . 1 1 36 36 ASP CB C 36 44.387 44.387 43.224 1.163 25700 3625 1 7 . 1 1 36 36 ASP H H 36 9.169 9.169 9.010 0.159 25700 3626 1 7 . 1 1 37 37 LYS N N 37 122.568 122.568 126.307 -3.739 25700 3627 1 7 . 1 1 37 37 LYS HA H 37 4.673 4.673 5.434 -0.761 25700 3628 1 7 . 1 1 37 37 LYS C C 37 173.710 173.710 174.068 -0.358 25700 3629 1 7 . 1 1 37 37 LYS CA C 37 54.410 54.410 54.730 -0.320 25700 3630 1 7 . 1 1 37 37 LYS CB C 37 34.907 34.907 36.195 -1.288 25700 3631 1 7 . 1 1 37 37 LYS H H 37 8.665 8.665 8.232 0.433 25700 3632 1 7 . 1 1 38 38 ALA N N 38 130.221 130.221 127.839 2.382 25700 3633 1 7 . 1 1 38 38 ALA HA H 38 4.983 4.983 5.311 -0.328 25700 3634 1 7 . 1 1 38 38 ALA C C 38 176.141 176.141 175.058 1.083 25700 3635 1 7 . 1 1 38 38 ALA CA C 38 51.093 51.093 50.856 0.237 25700 3636 1 7 . 1 1 38 38 ALA CB C 38 21.778 21.778 22.858 -1.081 25700 3637 1 7 . 1 1 38 38 ALA H H 38 8.798 8.798 9.052 -0.254 25700 3638 1 7 . 1 1 39 39 GLY N N 39 109.328 109.328 108.584 0.744 25700 3639 1 7 . 1 1 39 39 GLY C C 39 174.208 174.208 174.078 0.130 25700 3640 1 7 . 1 1 39 39 GLY CA C 39 44.645 44.645 45.068 -0.423 25700 3641 1 7 . 1 1 39 39 GLY H H 39 7.851 7.851 8.765 -0.914 25700 3642 1 7 . 1 1 40 40 ALA N N 40 125.088 125.088 122.309 2.779 25700 3643 1 7 . 1 1 40 40 ALA HA H 40 4.051 4.051 4.182 -0.131 25700 3644 1 7 . 1 1 40 40 ALA C C 40 178.917 178.917 178.133 0.784 25700 3645 1 7 . 1 1 40 40 ALA CA C 40 54.841 54.841 54.864 -0.023 25700 3646 1 7 . 1 1 40 40 ALA CB C 40 18.293 18.293 18.697 -0.404 25700 3647 1 7 . 1 1 40 40 ALA H H 40 8.766 8.766 8.730 0.036 25700 3648 1 7 . 1 1 41 41 ALA N N 41 117.569 117.569 119.816 -2.247 25700 3649 1 7 . 1 1 41 41 ALA HA H 41 4.419 4.419 4.452 -0.033 25700 3650 1 7 . 1 1 41 41 ALA C C 41 177.136 177.136 177.424 -0.288 25700 3651 1 7 . 1 1 41 41 ALA CA C 41 51.929 51.929 51.259 0.670 25700 3652 1 7 . 1 1 41 41 ALA CB C 41 18.774 18.774 18.472 0.302 25700 3653 1 7 . 1 1 41 41 ALA H H 41 8.300 8.300 8.075 0.225 25700 3654 1 7 . 1 1 42 42 GLY N N 42 106.796 106.796 107.029 -0.233 25700 3655 1 7 . 1 1 42 42 GLY C C 42 173.379 173.379 172.412 0.967 25700 3656 1 7 . 1 1 42 42 GLY CA C 42 44.336 44.336 44.303 0.033 25700 3657 1 7 . 1 1 42 42 GLY H H 42 7.577 7.577 7.468 0.109 25700 3658 1 7 . 1 1 43 43 THR N N 43 116.541 116.541 113.371 3.170 25700 3659 1 7 . 1 1 43 43 THR HA H 43 5.263 5.263 5.199 0.064 25700 3660 1 7 . 1 1 43 43 THR C C 43 174.244 174.244 173.817 0.427 25700 3661 1 7 . 1 1 43 43 THR CA C 43 61.137 61.137 60.368 0.769 25700 3662 1 7 . 1 1 43 43 THR CB C 43 70.759 70.759 71.473 -0.714 25700 3663 1 7 . 1 1 43 43 THR H H 43 8.526 8.526 8.249 0.277 25700 3664 1 7 . 1 1 44 44 SER N N 44 120.903 120.903 116.677 4.226 25700 3665 1 7 . 1 1 44 44 SER HA H 44 4.759 4.759 4.806 -0.047 25700 3666 1 7 . 1 1 44 44 SER C C 44 172.241 172.241 172.991 -0.750 25700 3667 1 7 . 1 1 44 44 SER CA C 44 57.340 57.340 57.860 -0.520 25700 3668 1 7 . 1 1 44 44 SER CB C 44 65.568 65.568 66.069 -0.500 25700 3669 1 7 . 1 1 44 44 SER H H 44 8.904 8.904 9.144 -0.240 25700 3670 1 7 . 1 1 45 45 ARG N N 45 124.546 124.546 122.147 2.399 25700 3671 1 7 . 1 1 45 45 ARG HA H 45 5.489 5.489 4.684 0.805 25700 3672 1 7 . 1 1 45 45 ARG C C 45 175.520 175.520 175.445 0.075 25700 3673 1 7 . 1 1 45 45 ARG CA C 45 55.101 55.101 55.170 -0.069 25700 3674 1 7 . 1 1 45 45 ARG CB C 45 32.760 32.760 31.216 1.544 25700 3675 1 7 . 1 1 45 45 ARG H H 45 8.579 8.579 8.551 0.028 25700 3676 1 7 . 1 1 46 46 ILE N N 46 127.920 127.920 127.025 0.895 25700 3677 1 7 . 1 1 46 46 ILE HA H 46 4.460 4.460 4.304 0.156 25700 3678 1 7 . 1 1 46 46 ILE C C 46 174.450 174.450 174.638 -0.188 25700 3679 1 7 . 1 1 46 46 ILE CA C 46 60.220 60.220 60.288 -0.068 25700 3680 1 7 . 1 1 46 46 ILE CB C 46 41.290 41.290 40.168 1.122 25700 3681 1 7 . 1 1 46 46 ILE H H 46 9.344 9.344 9.058 0.286 25700 3682 1 7 . 1 1 47 47 LYS N N 47 126.061 126.061 128.008 -1.947 25700 3683 1 7 . 1 1 47 47 LYS HA H 47 5.514 5.514 4.611 0.903 25700 3684 1 7 . 1 1 47 47 LYS C C 47 175.790 175.790 174.769 1.021 25700 3685 1 7 . 1 1 47 47 LYS CA C 47 54.870 54.870 55.565 -0.695 25700 3686 1 7 . 1 1 47 47 LYS CB C 47 35.386 35.386 34.596 0.790 25700 3687 1 7 . 1 1 47 47 LYS H H 47 8.734 8.734 8.554 0.180 25700 3688 1 7 . 1 1 48 48 GLN N N 48 122.633 122.633 123.919 -1.286 25700 3689 1 7 . 1 1 48 48 GLN HA H 48 4.669 4.669 4.772 -0.103 25700 3690 1 7 . 1 1 48 48 GLN C C 48 173.659 173.659 173.787 -0.128 25700 3691 1 7 . 1 1 48 48 GLN CA C 48 54.895 54.895 54.840 0.055 25700 3692 1 7 . 1 1 48 48 GLN CB C 48 33.072 33.072 32.686 0.386 25700 3693 1 7 . 1 1 48 48 GLN H H 48 9.228 9.228 8.652 0.576 25700 3694 1 7 . 1 1 49 49 ALA N N 49 125.634 125.634 122.111 3.523 25700 3695 1 7 . 1 1 49 49 ALA HA H 49 4.544 4.544 4.843 -0.299 25700 3696 1 7 . 1 1 49 49 ALA C C 49 175.881 175.881 175.496 0.385 25700 3697 1 7 . 1 1 49 49 ALA CA C 49 50.993 50.993 51.778 -0.785 25700 3698 1 7 . 1 1 49 49 ALA CB C 49 22.620 22.620 21.452 1.168 25700 3699 1 7 . 1 1 49 49 ALA H H 49 8.557 8.557 8.406 0.151 25700 3700 1 7 . 1 1 50 50 GLY N N 50 105.483 105.483 109.120 -3.637 25700 3701 1 7 . 1 1 50 50 GLY C C 50 170.217 170.217 171.553 -1.336 25700 3702 1 7 . 1 1 50 50 GLY CA C 50 45.670 45.670 46.303 -0.633 25700 3703 1 7 . 1 1 50 50 GLY H H 50 6.865 6.865 8.570 -1.705 25700 3704 1 7 . 1 1 51 51 ALA N N 51 122.908 122.908 121.824 1.084 25700 3705 1 7 . 1 1 51 51 ALA HA H 51 5.265 5.265 4.719 0.546 25700 3706 1 7 . 1 1 51 51 ALA C C 51 176.793 176.793 175.128 1.665 25700 3707 1 7 . 1 1 51 51 ALA CA C 51 50.736 50.736 50.927 -0.191 25700 3708 1 7 . 1 1 51 51 ALA CB C 51 21.840 21.840 21.651 0.189 25700 3709 1 7 . 1 1 51 51 ALA H H 51 8.522 8.522 8.084 0.438 25700 3710 1 7 . 1 1 52 52 PHE N N 52 115.156 115.156 120.214 -5.058 25700 3711 1 7 . 1 1 52 52 PHE HA H 52 5.106 5.106 4.877 0.229 25700 3712 1 7 . 1 1 52 52 PHE C C 52 172.832 172.832 173.783 -0.951 25700 3713 1 7 . 1 1 52 52 PHE CA C 52 56.890 56.890 57.142 -0.252 25700 3714 1 7 . 1 1 52 52 PHE CB C 52 42.428 42.428 43.380 -0.952 25700 3715 1 7 . 1 1 52 52 PHE H H 52 8.191 8.191 8.647 -0.456 25700 3716 1 7 . 1 1 53 53 THR N N 53 116.180 116.180 115.960 0.220 25700 3717 1 7 . 1 1 53 53 THR HA H 53 4.631 4.631 4.464 0.167 25700 3718 1 7 . 1 1 53 53 THR C C 53 172.769 172.769 173.068 -0.299 25700 3719 1 7 . 1 1 53 53 THR CA C 53 61.610 61.610 60.848 0.762 25700 3720 1 7 . 1 1 53 53 THR CB C 53 70.736 70.736 68.815 1.921 25700 3721 1 7 . 1 1 53 53 THR H H 53 8.650 8.650 6.897 1.753 25700 3722 1 7 . 1 1 54 54 ALA N N 54 127.969 127.969 129.021 -1.052 25700 3723 1 7 . 1 1 54 54 ALA HA H 54 4.748 4.748 4.743 0.005 25700 3724 1 7 . 1 1 54 54 ALA C C 54 176.369 176.369 175.204 1.165 25700 3725 1 7 . 1 1 54 54 ALA CA C 54 51.397 51.397 50.293 1.104 25700 3726 1 7 . 1 1 54 54 ALA CB C 54 22.010 22.010 22.125 -0.115 25700 3727 1 7 . 1 1 54 54 ALA H H 54 9.353 9.353 8.706 0.647 25700 3728 1 7 . 1 1 55 55 ILE N N 55 123.326 123.326 121.435 1.891 25700 3729 1 7 . 1 1 55 55 ILE HA H 55 4.391 4.391 4.202 0.189 25700 3730 1 7 . 1 1 55 55 ILE C C 55 176.079 176.079 175.709 0.370 25700 3731 1 7 . 1 1 55 55 ILE CA C 55 59.138 59.138 60.100 -0.962 25700 3732 1 7 . 1 1 55 55 ILE CB C 55 39.451 39.451 40.263 -0.812 25700 3733 1 7 . 1 1 55 55 ILE H H 55 7.856 7.856 8.670 -0.814 25700 3734 1 7 . 1 1 56 56 ALA N N 56 130.280 130.280 127.777 2.503 25700 3735 1 7 . 1 1 56 56 ALA HA H 56 3.493 3.493 4.326 -0.833 25700 3736 1 7 . 1 1 56 56 ALA C C 56 177.405 177.405 177.602 -0.197 25700 3737 1 7 . 1 1 56 56 ALA CA C 56 54.156 54.156 52.409 1.747 25700 3738 1 7 . 1 1 56 56 ALA CB C 56 18.871 18.871 18.767 0.104 25700 3739 1 7 . 1 1 56 56 ALA H H 56 9.104 9.104 8.413 0.691 25700 3740 1 7 . 1 1 57 57 GLU N N 57 113.081 113.081 118.946 -5.865 25700 3741 1 7 . 1 1 57 57 GLU HA H 57 3.614 3.614 3.777 -0.163 25700 3742 1 7 . 1 1 57 57 GLU C C 57 174.959 174.959 175.309 -0.350 25700 3743 1 7 . 1 1 57 57 GLU CA C 57 58.080 58.080 57.634 0.446 25700 3744 1 7 . 1 1 57 57 GLU CB C 57 27.141 27.141 28.116 -0.975 25700 3745 1 7 . 1 1 57 57 GLU H H 57 9.007 9.007 8.882 0.125 25700 3746 1 7 . 1 1 58 58 GLN N N 58 119.796 119.796 117.904 1.892 25700 3747 1 7 . 1 1 58 58 GLN HA H 58 4.519 4.519 4.638 -0.119 25700 3748 1 7 . 1 1 58 58 GLN C C 58 175.217 175.217 174.781 0.436 25700 3749 1 7 . 1 1 58 58 GLN CA C 58 54.379 54.379 54.105 0.274 25700 3750 1 7 . 1 1 58 58 GLN CB C 58 30.102 30.102 31.612 -1.510 25700 3751 1 7 . 1 1 58 58 GLN H H 58 8.061 8.061 7.726 0.335 25700 3752 1 7 . 1 1 59 59 ARG N N 59 124.810 124.810 125.018 -0.208 25700 3753 1 7 . 1 1 59 59 ARG HA H 59 4.286 4.286 4.403 -0.117 25700 3754 1 7 . 1 1 59 59 ARG C C 59 176.396 176.396 175.928 0.468 25700 3755 1 7 . 1 1 59 59 ARG CA C 59 56.810 56.810 55.710 1.100 25700 3756 1 7 . 1 1 59 59 ARG CB C 59 30.906 30.906 30.259 0.647 25700 3757 1 7 . 1 1 59 59 ARG H H 59 8.486 8.486 8.647 -0.161 25700 3758 1 7 . 1 1 60 60 VAL N N 60 127.238 127.238 128.099 -0.861 25700 3759 1 7 . 1 1 60 60 VAL HA H 60 4.319 4.319 4.343 -0.024 25700 3760 1 7 . 1 1 60 60 VAL C C 60 174.543 174.543 174.826 -0.283 25700 3761 1 7 . 1 1 60 60 VAL CA C 60 61.227 61.227 61.255 -0.028 25700 3762 1 7 . 1 1 60 60 VAL CB C 60 34.177 34.177 33.887 0.290 25700 3763 1 7 . 1 1 60 60 VAL H H 60 9.033 9.033 9.127 -0.094 25700 3764 1 7 . 1 1 61 61 THR N N 61 120.913 120.913 124.485 -3.572 25700 3765 1 7 . 1 1 61 61 THR HA H 61 5.096 5.096 4.618 0.478 25700 3766 1 7 . 1 1 61 61 THR C C 61 174.645 174.645 173.816 0.829 25700 3767 1 7 . 1 1 61 61 THR CA C 61 60.686 60.686 62.097 -1.411 25700 3768 1 7 . 1 1 61 61 THR CB C 61 69.710 69.710 68.876 0.834 25700 3769 1 7 . 1 1 61 61 THR H H 61 8.340 8.340 8.651 -0.311 25700 3770 1 7 . 1 1 62 62 VAL N N 62 117.650 117.650 125.622 -7.972 25700 3771 1 7 . 1 1 62 62 VAL HA H 62 4.294 4.294 4.148 0.146 25700 3772 1 7 . 1 1 62 62 VAL C C 62 174.530 174.530 174.846 -0.316 25700 3773 1 7 . 1 1 62 62 VAL CA C 62 58.641 58.641 61.030 -2.389 25700 3774 1 7 . 1 1 62 62 VAL CB C 62 34.263 34.263 34.633 -0.370 25700 3775 1 7 . 1 1 62 62 VAL H H 62 8.658 8.658 9.002 -0.344 25700 3776 1 7 . 1 1 63 63 GLY N N 63 107.924 107.924 113.978 -6.054 25700 3777 1 7 . 1 1 63 63 GLY C C 63 172.475 172.475 173.246 -0.771 25700 3778 1 7 . 1 1 63 63 GLY CA C 63 43.668 43.668 44.563 -0.895 25700 3779 1 7 . 1 1 63 63 GLY H H 63 7.857 7.857 8.659 -0.802 25700 3780 1 7 . 1 1 64 64 ASN N N 64 116.073 116.073 120.656 -4.583 25700 3781 1 7 . 1 1 64 64 ASN HA H 64 4.530 4.530 4.634 -0.104 25700 3782 1 7 . 1 1 64 64 ASN C C 64 173.307 173.307 174.660 -1.353 25700 3783 1 7 . 1 1 64 64 ASN CA C 64 55.380 55.380 52.097 3.283 25700 3784 1 7 . 1 1 64 64 ASN CB C 64 39.159 39.159 38.159 1.000 25700 3785 1 7 . 1 1 64 64 ASN H H 64 8.933 8.933 8.258 0.675 25700 3786 1 7 . 1 1 65 65 VAL N N 65 126.612 126.612 118.345 8.267 25700 3787 1 7 . 1 1 65 65 VAL HA H 65 4.238 4.238 4.525 -0.287 25700 3788 1 7 . 1 1 65 65 VAL C C 65 173.538 173.538 173.947 -0.409 25700 3789 1 7 . 1 1 65 65 VAL CA C 65 61.970 61.970 60.094 1.876 25700 3790 1 7 . 1 1 65 65 VAL CB C 65 33.829 33.829 35.282 -1.453 25700 3791 1 7 . 1 1 65 65 VAL H H 65 8.548 8.548 8.029 0.519 25700 3792 1 7 . 1 1 66 66 VAL N N 66 127.886 127.886 125.434 2.452 25700 3793 1 7 . 1 1 66 66 VAL HA H 66 4.990 4.990 4.551 0.439 25700 3794 1 7 . 1 1 66 66 VAL C C 66 175.271 175.271 175.575 -0.304 25700 3795 1 7 . 1 1 66 66 VAL CA C 66 61.360 61.360 60.740 0.620 25700 3796 1 7 . 1 1 66 66 VAL CB C 66 32.923 32.923 33.599 -0.676 25700 3797 1 7 . 1 1 66 66 VAL H H 66 8.364 8.364 8.269 0.095 25700 3798 1 7 . 1 1 67 67 LEU N N 67 126.454 126.454 127.934 -1.480 25700 3799 1 7 . 1 1 67 67 LEU HA H 67 4.955 4.955 4.766 0.189 25700 3800 1 7 . 1 1 67 67 LEU C C 67 176.547 176.547 176.140 0.407 25700 3801 1 7 . 1 1 67 67 LEU CA C 67 52.492 52.492 52.580 -0.088 25700 3802 1 7 . 1 1 67 67 LEU CB C 67 46.685 46.685 43.439 3.246 25700 3803 1 7 . 1 1 67 67 LEU H H 67 9.050 9.050 9.175 -0.125 25700 3804 1 7 . 1 1 68 68 ASP N N 68 119.799 119.799 119.833 -0.034 25700 3805 1 7 . 1 1 68 68 ASP HA H 68 4.609 4.609 4.597 0.012 25700 3806 1 7 . 1 1 68 68 ASP C C 68 176.247 176.247 175.847 0.400 25700 3807 1 7 . 1 1 68 68 ASP CA C 68 55.492 55.492 53.716 1.776 25700 3808 1 7 . 1 1 68 68 ASP CB C 68 40.566 40.566 41.240 -0.674 25700 3809 1 7 . 1 1 68 68 ASP H H 68 8.722 8.722 8.588 0.134 25700 3810 1 7 . 1 1 69 69 TYR N N 69 123.398 123.398 126.515 -3.117 25700 3811 1 7 . 1 1 69 69 TYR HA H 69 4.651 4.651 4.411 0.240 25700 3812 1 7 . 1 1 69 69 TYR C C 69 174.253 174.253 173.999 0.254 25700 3813 1 7 . 1 1 69 69 TYR CA C 69 57.767 57.767 58.989 -1.222 25700 3814 1 7 . 1 1 69 69 TYR CB C 69 40.067 40.067 38.739 1.328 25700 3815 1 7 . 1 1 69 69 TYR H H 69 8.603 8.603 7.945 0.658 25700 3816 1 7 . 1 1 70 70 SER N N 70 121.308 121.308 122.918 -1.610 25700 3817 1 7 . 1 1 70 70 SER HA H 70 4.059 4.059 4.149 -0.090 25700 3818 1 7 . 1 1 70 70 SER C C 70 174.851 174.851 174.551 0.300 25700 3819 1 7 . 1 1 70 70 SER CA C 70 56.341 56.341 56.292 0.049 25700 3820 1 7 . 1 1 70 70 SER CB C 70 64.634 64.634 65.413 -0.779 25700 3821 1 7 . 1 1 70 70 SER H H 70 6.749 6.749 8.217 -1.468 25700 3822 1 7 . 1 1 71 71 SER N N 71 122.764 122.764 119.363 3.401 25700 3823 1 7 . 1 1 71 71 SER HA H 71 4.221 4.221 4.305 -0.084 25700 3824 1 7 . 1 1 71 71 SER C C 71 174.098 174.098 175.552 -1.454 25700 3825 1 7 . 1 1 71 71 SER CA C 71 60.326 60.326 60.870 -0.544 25700 3826 1 7 . 1 1 71 71 SER CB C 71 62.814 62.814 63.017 -0.203 25700 3827 1 7 . 1 1 71 71 SER H H 71 8.907 8.907 8.298 0.609 25700 3828 1 7 . 1 1 72 72 ALA N N 72 122.199 122.199 121.438 0.761 25700 3829 1 7 . 1 1 72 72 ALA HA H 72 4.320 4.320 4.446 -0.126 25700 3830 1 7 . 1 1 72 72 ALA C C 72 177.749 177.749 176.791 0.958 25700 3831 1 7 . 1 1 72 72 ALA CA C 72 52.283 52.283 51.740 0.543 25700 3832 1 7 . 1 1 72 72 ALA CB C 72 18.950 18.950 18.678 0.272 25700 3833 1 7 . 1 1 72 72 ALA H H 72 7.869 7.869 8.041 -0.172 25700 3834 1 7 . 1 1 73 73 ASN N N 73 116.297 116.297 116.492 -0.195 25700 3835 1 7 . 1 1 73 73 ASN HA H 73 5.076 5.076 4.549 0.527 25700 3836 1 7 . 1 1 73 73 ASN C C 73 173.794 173.794 174.743 -0.949 25700 3837 1 7 . 1 1 73 73 ASN CA C 73 51.612 51.612 52.872 -1.260 25700 3838 1 7 . 1 1 73 73 ASN CB C 73 40.647 40.647 39.190 1.457 25700 3839 1 7 . 1 1 73 73 ASN H H 73 7.265 7.265 7.557 -0.292 25700 3840 1 7 . 1 1 74 74 ARG N N 74 118.937 118.937 121.995 -3.058 25700 3841 1 7 . 1 1 74 74 ARG HA H 74 4.684 4.684 4.434 0.250 25700 3842 1 7 . 1 1 74 74 ARG C C 74 174.943 174.943 174.051 0.892 25700 3843 1 7 . 1 1 74 74 ARG CA C 74 54.523 54.523 54.186 0.337 25700 3844 1 7 . 1 1 74 74 ARG CB C 74 32.331 32.331 29.334 2.997 25700 3845 1 7 . 1 1 74 74 ARG H H 74 8.529 8.529 8.215 0.314 25700 3846 1 7 . 1 1 75 75 TYR N N 75 122.282 122.282 124.042 -1.760 25700 3847 1 7 . 1 1 75 75 TYR HA H 75 5.159 5.159 5.242 -0.083 25700 3848 1 7 . 1 1 75 75 TYR C C 75 173.593 173.593 174.213 -0.620 25700 3849 1 7 . 1 1 75 75 TYR CA C 75 57.080 57.080 56.720 0.360 25700 3850 1 7 . 1 1 75 75 TYR CB C 75 41.202 41.202 41.159 0.043 25700 3851 1 7 . 1 1 75 75 TYR H H 75 8.691 8.691 8.288 0.403 25700 3852 1 7 . 1 1 76 76 ALA N N 76 122.606 122.606 124.579 -1.973 25700 3853 1 7 . 1 1 76 76 ALA HA H 76 4.788 4.788 4.887 -0.099 25700 3854 1 7 . 1 1 76 76 ALA C C 76 175.765 175.765 174.849 0.916 25700 3855 1 7 . 1 1 76 76 ALA CA C 76 50.543 50.543 49.985 0.558 25700 3856 1 7 . 1 1 76 76 ALA CB C 76 23.070 23.070 22.933 0.137 25700 3857 1 7 . 1 1 76 76 ALA H H 76 8.688 8.688 9.290 -0.602 25700 3858 1 7 . 1 1 77 77 ALA N N 77 119.325 119.325 120.880 -1.555 25700 3859 1 7 . 1 1 77 77 ALA HA H 77 5.488 5.488 5.390 0.098 25700 3860 1 7 . 1 1 77 77 ALA C C 77 174.473 174.473 175.465 -0.992 25700 3861 1 7 . 1 1 77 77 ALA CA C 77 51.813 51.813 51.109 0.704 25700 3862 1 7 . 1 1 77 77 ALA CB C 77 24.137 24.137 22.868 1.269 25700 3863 1 7 . 1 1 77 77 ALA H H 77 8.584 8.584 8.249 0.335 25700 3864 1 7 . 1 1 78 78 ARG N N 78 122.822 122.822 118.531 4.291 25700 3865 1 7 . 1 1 78 78 ARG HA H 78 4.938 4.938 5.514 -0.576 25700 3866 1 7 . 1 1 78 78 ARG C C 78 173.170 173.170 173.892 -0.722 25700 3867 1 7 . 1 1 78 78 ARG CA C 78 54.890 54.890 55.255 -0.365 25700 3868 1 7 . 1 1 78 78 ARG CB C 78 34.467 34.467 33.313 1.154 25700 3869 1 7 . 1 1 78 78 ARG H H 78 8.807 8.807 9.192 -0.385 25700 3870 1 7 . 1 1 79 79 LEU N N 79 130.548 130.548 126.395 4.153 25700 3871 1 7 . 1 1 79 79 LEU HA H 79 5.440 5.440 5.303 0.137 25700 3872 1 7 . 1 1 79 79 LEU C C 79 173.434 173.434 174.479 -1.045 25700 3873 1 7 . 1 1 79 79 LEU CA C 79 53.186 53.186 53.209 -0.023 25700 3874 1 7 . 1 1 79 79 LEU CB C 79 45.369 45.369 45.870 -0.501 25700 3875 1 7 . 1 1 79 79 LEU H H 79 9.055 9.055 8.905 0.150 25700 3876 1 7 . 1 1 80 80 ASP N N 80 125.928 125.928 127.257 -1.329 25700 3877 1 7 . 1 1 80 80 ASP HA H 80 5.480 5.480 5.394 0.086 25700 3878 1 7 . 1 1 80 80 ASP C C 80 175.805 175.805 174.982 0.823 25700 3879 1 7 . 1 1 80 80 ASP CA C 80 53.794 53.794 52.670 1.124 25700 3880 1 7 . 1 1 80 80 ASP CB C 80 44.119 44.119 43.623 0.496 25700 3881 1 7 . 1 1 80 80 ASP H H 80 9.251 9.251 9.097 0.154 25700 3882 1 7 . 1 1 81 81 VAL N N 81 123.295 123.295 127.443 -4.148 25700 3883 1 7 . 1 1 81 81 VAL HA H 81 4.843 4.843 4.453 0.390 25700 3884 1 7 . 1 1 81 81 VAL C C 81 174.136 174.136 174.521 -0.385 25700 3885 1 7 . 1 1 81 81 VAL CA C 81 61.438 61.438 61.665 -0.227 25700 3886 1 7 . 1 1 81 81 VAL CB C 81 35.299 35.299 32.693 2.607 25700 3887 1 7 . 1 1 81 81 VAL H H 81 8.947 8.947 8.827 0.120 25700 3888 1 7 . 1 1 82 82 SER N N 82 122.698 122.698 123.101 -0.403 25700 3889 1 7 . 1 1 82 82 SER HA H 82 5.380 5.380 5.282 0.098 25700 3890 1 7 . 1 1 82 82 SER C C 82 173.016 173.016 173.679 -0.663 25700 3891 1 7 . 1 1 82 82 SER CA C 82 57.195 57.195 56.946 0.249 25700 3892 1 7 . 1 1 82 82 SER CB C 82 64.477 64.477 64.532 -0.055 25700 3893 1 7 . 1 1 82 82 SER H H 82 9.026 9.026 8.672 0.354 25700 3894 1 7 . 1 1 83 83 PHE N N 83 127.305 127.305 127.017 0.288 25700 3895 1 7 . 1 1 83 83 PHE HA H 83 4.781 4.781 4.776 0.005 25700 3896 1 7 . 1 1 83 83 PHE C C 83 174.741 174.741 175.138 -0.397 25700 3897 1 7 . 1 1 83 83 PHE CA C 83 57.376 57.376 58.079 -0.703 25700 3898 1 7 . 1 1 83 83 PHE CB C 83 42.094 42.094 40.352 1.742 25700 3899 1 7 . 1 1 83 83 PHE H H 83 9.012 9.012 8.863 0.149 25700 3900 1 7 . 1 1 84 84 GLY N N 84 117.337 117.337 116.613 0.724 25700 3901 1 7 . 1 1 84 84 GLY C C 84 175.295 175.295 175.168 0.127 25700 3902 1 7 . 1 1 84 84 GLY CA C 84 47.086 47.086 46.478 0.608 25700 3903 1 7 . 1 1 84 84 GLY H H 84 8.784 8.784 8.500 0.284 25700 3904 1 7 . 1 1 85 85 SER N N 85 120.553 120.553 119.846 0.707 25700 3905 1 7 . 1 1 85 85 SER HA H 85 4.383 4.383 4.436 -0.053 25700 3906 1 7 . 1 1 85 85 SER C C 85 173.796 173.796 174.967 -1.171 25700 3907 1 7 . 1 1 85 85 SER CA C 85 59.095 59.095 58.851 0.244 25700 3908 1 7 . 1 1 85 85 SER CB C 85 63.360 63.360 64.156 -0.797 25700 3909 1 7 . 1 1 85 85 SER H H 85 8.687 8.687 8.405 0.282 25700 3910 1 7 . 1 1 86 86 VAL N N 86 121.297 121.297 123.116 -1.819 25700 3911 1 7 . 1 1 86 86 VAL HA H 86 4.504 4.504 4.306 0.198 25700 3912 1 7 . 1 1 86 86 VAL C C 86 174.888 174.888 173.782 1.106 25700 3913 1 7 . 1 1 86 86 VAL CA C 86 61.610 61.610 61.775 -0.165 25700 3914 1 7 . 1 1 86 86 VAL CB C 86 34.210 34.210 33.161 1.049 25700 3915 1 7 . 1 1 86 86 VAL H H 86 7.963 7.963 7.520 0.443 25700 3916 1 7 . 1 1 87 87 THR N N 87 119.631 119.631 123.720 -4.089 25700 3917 1 7 . 1 1 87 87 THR HA H 87 5.551 5.551 5.504 0.047 25700 3918 1 7 . 1 1 87 87 THR C C 87 174.271 174.271 173.465 0.806 25700 3919 1 7 . 1 1 87 87 THR CA C 87 60.550 60.550 61.310 -0.760 25700 3920 1 7 . 1 1 87 87 THR CB C 87 71.350 71.350 70.023 1.327 25700 3921 1 7 . 1 1 87 87 THR H H 87 8.302 8.302 8.412 -0.110 25700 3922 1 7 . 1 1 88 88 ILE N N 88 118.811 118.811 122.022 -3.211 25700 3923 1 7 . 1 1 88 88 ILE HA H 88 4.858 4.858 4.719 0.139 25700 3924 1 7 . 1 1 88 88 ILE C C 88 174.300 174.300 173.144 1.156 25700 3925 1 7 . 1 1 88 88 ILE CA C 88 59.380 59.380 59.036 0.344 25700 3926 1 7 . 1 1 88 88 ILE CB C 88 43.170 43.170 41.305 1.865 25700 3927 1 7 . 1 1 88 88 ILE H H 88 8.986 8.986 8.724 0.262 25700 3928 1 7 . 1 1 89 89 GLN N N 89 120.806 120.806 118.875 1.931 25700 3929 1 7 . 1 1 89 89 GLN HA H 89 5.814 5.814 5.696 0.118 25700 3930 1 7 . 1 1 89 89 GLN C C 89 175.021 175.021 174.380 0.641 25700 3931 1 7 . 1 1 89 89 GLN CA C 89 54.171 54.171 54.382 -0.211 25700 3932 1 7 . 1 1 89 89 GLN CB C 89 34.262 34.262 32.780 1.482 25700 3933 1 7 . 1 1 89 89 GLN H H 89 8.481 8.481 8.051 0.430 25700 3934 1 7 . 1 1 90 90 CYS N N 90 118.531 118.531 117.631 0.900 25700 3935 1 7 . 1 1 90 90 CYS HA H 90 5.010 5.010 4.890 0.120 25700 3936 1 7 . 1 1 90 90 CYS C C 90 172.402 172.402 172.843 -0.441 25700 3937 1 7 . 1 1 90 90 CYS CA C 90 54.874 54.874 56.953 -2.079 25700 3938 1 7 . 1 1 90 90 CYS CB C 90 50.267 50.267 31.299 18.968 25700 3939 1 7 . 1 1 90 90 CYS H H 90 9.151 9.151 8.808 0.343 25700 3940 1 7 . 1 1 91 91 ASN N N 91 116.449 116.449 117.813 -1.364 25700 3941 1 7 . 1 1 91 91 ASN HA H 91 5.615 5.615 5.532 0.083 25700 3942 1 7 . 1 1 91 91 ASN C C 91 174.994 174.994 174.140 0.854 25700 3943 1 7 . 1 1 91 91 ASN CA C 91 52.484 52.484 52.177 0.307 25700 3944 1 7 . 1 1 91 91 ASN CB C 91 43.331 43.331 41.431 1.901 25700 3945 1 7 . 1 1 91 91 ASN H H 91 8.791 8.791 8.165 0.626 25700 3946 1 7 . 1 1 92 92 LEU N N 92 123.391 123.391 121.969 1.422 25700 3947 1 7 . 1 1 92 92 LEU HA H 92 4.286 4.286 4.378 -0.092 25700 3948 1 7 . 1 1 92 92 LEU C C 92 176.188 176.188 176.606 -0.418 25700 3949 1 7 . 1 1 92 92 LEU CA C 92 54.863 54.863 54.940 -0.077 25700 3950 1 7 . 1 1 92 92 LEU CB C 92 45.064 45.064 43.307 1.757 25700 3951 1 7 . 1 1 92 92 LEU H H 92 8.597 8.597 8.645 -0.048 25700 3952 1 7 . 1 1 93 93 ASP N N 93 129.020 129.020 127.009 2.011 25700 3953 1 7 . 1 1 93 93 ASP HA H 93 5.160 5.160 4.891 0.269 25700 3954 1 7 . 1 1 93 93 ASP C C 93 175.761 175.761 175.466 0.295 25700 3955 1 7 . 1 1 93 93 ASP CA C 93 50.948 50.948 51.049 -0.101 25700 3956 1 7 . 1 1 93 93 ASP CB C 93 41.136 41.136 42.266 -1.130 25700 3957 1 7 . 1 1 93 93 ASP H H 93 9.146 9.146 8.631 0.515 25700 3958 1 7 . 1 1 94 94 PRO HA H 94 4.304 4.304 4.676 -0.372 25700 3959 1 7 . 1 1 94 94 PRO C C 94 178.637 178.637 177.992 0.645 25700 3960 1 7 . 1 1 94 94 PRO CA C 94 64.830 64.830 64.490 0.340 25700 3961 1 7 . 1 1 94 94 PRO CB C 94 32.579 32.579 32.120 0.459 25700 3962 1 7 . 1 1 95 95 GLU N N 95 116.747 116.747 116.081 0.666 25700 3963 1 7 . 1 1 95 95 GLU HA H 95 4.223 4.223 4.297 -0.074 25700 3964 1 7 . 1 1 95 95 GLU C C 95 177.994 177.994 177.762 0.232 25700 3965 1 7 . 1 1 95 95 GLU CA C 95 57.773 57.773 57.412 0.361 25700 3966 1 7 . 1 1 95 95 GLU CB C 95 29.084 29.084 29.776 -0.692 25700 3967 1 7 . 1 1 95 95 GLU H H 95 8.358 8.358 8.189 0.169 25700 3968 1 7 . 1 1 96 96 THR N N 96 109.182 109.182 109.275 -0.093 25700 3969 1 7 . 1 1 96 96 THR HA H 96 4.169 4.169 4.523 -0.354 25700 3970 1 7 . 1 1 96 96 THR C C 96 175.238 175.238 175.723 -0.485 25700 3971 1 7 . 1 1 96 96 THR CA C 96 63.038 63.038 63.393 -0.355 25700 3972 1 7 . 1 1 96 96 THR CB C 96 69.640 69.640 69.707 -0.067 25700 3973 1 7 . 1 1 96 96 THR H H 96 7.951 7.951 8.195 -0.244 25700 3974 1 7 . 1 1 97 97 VAL N N 97 121.118 121.118 120.710 0.408 25700 3975 1 7 . 1 1 97 97 VAL HA H 97 3.770 3.770 3.857 -0.087 25700 3976 1 7 . 1 1 97 97 VAL C C 97 174.851 174.851 177.053 -2.202 25700 3977 1 7 . 1 1 97 97 VAL CA C 97 63.272 63.272 64.417 -1.145 25700 3978 1 7 . 1 1 97 97 VAL CB C 97 30.627 30.627 30.979 -0.352 25700 3979 1 7 . 1 1 97 97 VAL H H 97 7.175 7.175 7.477 -0.302 25700 3980 1 7 . 1 1 98 98 LYS N N 98 123.245 123.245 120.929 2.316 25700 3981 1 7 . 1 1 98 98 LYS HA H 98 4.385 4.385 4.275 0.110 25700 3982 1 7 . 1 1 98 98 LYS C C 98 175.612 175.612 175.513 0.099 25700 3983 1 7 . 1 1 98 98 LYS CA C 98 55.812 55.812 56.031 -0.219 25700 3984 1 7 . 1 1 98 98 LYS CB C 98 33.804 33.804 30.038 3.766 25700 3985 1 7 . 1 1 98 98 LYS H H 98 7.712 7.712 7.923 -0.211 25700 3986 1 7 . 1 1 99 99 LEU N N 99 122.457 122.457 116.267 6.190 25700 3987 1 7 . 1 1 99 99 LEU HA H 99 4.123 4.123 3.861 0.262 25700 3988 1 7 . 1 1 99 99 LEU C C 99 177.160 177.160 175.974 1.186 25700 3989 1 7 . 1 1 99 99 LEU CA C 99 55.309 55.309 55.848 -0.539 25700 3990 1 7 . 1 1 99 99 LEU CB C 99 42.319 42.319 39.626 2.693 25700 3991 1 7 . 1 1 99 99 LEU H H 99 8.110 8.110 8.438 -0.328 25700 3992 1 7 . 1 1 100 100 GLU N N 100 120.800 120.800 118.769 2.031 25700 3993 1 7 . 1 1 100 100 GLU HA H 100 4.151 4.151 4.322 -0.171 25700 3994 1 7 . 1 1 100 100 GLU C C 100 176.070 176.070 175.361 0.709 25700 3995 1 7 . 1 1 100 100 GLU CA C 100 56.740 56.740 56.459 0.282 25700 3996 1 7 . 1 1 100 100 GLU CB C 100 30.060 30.060 29.481 0.579 25700 3997 1 7 . 1 1 100 100 GLU H H 100 8.340 8.340 7.533 0.807 25700 3998 1 8 . 1 1 2 2 VAL N N 2 123.080 123.080 122.870 0.210 25700 3999 1 8 . 1 1 2 2 VAL HA H 2 4.678 4.678 4.433 0.245 25700 4000 1 8 . 1 1 2 2 VAL C C 2 171.871 171.871 174.786 -2.915 25700 4001 1 8 . 1 1 2 2 VAL CA C 2 59.500 59.500 60.380 -0.880 25700 4002 1 8 . 1 1 2 2 VAL CB C 2 34.185 34.185 34.822 -0.637 25700 4003 1 8 . 1 1 2 2 VAL H H 2 8.041 8.041 8.336 -0.295 25700 4004 1 8 . 1 1 3 3 GLN N N 3 123.080 123.080 120.552 2.528 25700 4005 1 8 . 1 1 3 3 GLN HA H 3 4.660 4.660 4.783 -0.123 25700 4006 1 8 . 1 1 3 3 GLN CA C 3 54.109 54.109 53.061 1.048 25700 4007 1 8 . 1 1 3 3 GLN CB C 3 33.338 33.338 33.267 0.071 25700 4008 1 8 . 1 1 3 3 GLN H H 3 8.126 8.126 8.999 -0.873 25700 4009 1 8 . 1 1 4 4 CYS N N 4 115.260 115.260 117.166 -1.906 25700 4010 1 8 . 1 1 4 4 CYS HA H 4 5.676 5.676 5.214 0.462 25700 4011 1 8 . 1 1 4 4 CYS C C 4 171.720 171.720 172.889 -1.169 25700 4012 1 8 . 1 1 4 4 CYS CA C 4 53.402 53.402 56.924 -3.522 25700 4013 1 8 . 1 1 4 4 CYS CB C 4 45.525 45.525 31.057 14.468 25700 4014 1 8 . 1 1 4 4 CYS H H 4 8.909 8.909 8.443 0.466 25700 4015 1 8 . 1 1 5 5 GLU N N 5 117.764 117.764 121.017 -3.253 25700 4016 1 8 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.765 -0.286 25700 4017 1 8 . 1 1 5 5 GLU C C 5 174.088 174.088 174.096 -0.008 25700 4018 1 8 . 1 1 5 5 GLU CA C 5 54.838 54.838 54.525 0.313 25700 4019 1 8 . 1 1 5 5 GLU CB C 5 34.155 34.155 34.090 0.065 25700 4020 1 8 . 1 1 5 5 GLU H H 5 8.580 8.580 8.897 -0.317 25700 4021 1 8 . 1 1 6 6 VAL N N 6 120.471 120.471 115.311 5.160 25700 4022 1 8 . 1 1 6 6 VAL HA H 6 4.427 4.427 4.429 -0.002 25700 4023 1 8 . 1 1 6 6 VAL C C 6 174.211 174.211 174.922 -0.711 25700 4024 1 8 . 1 1 6 6 VAL CA C 6 61.540 61.540 59.668 1.872 25700 4025 1 8 . 1 1 6 6 VAL CB C 6 32.618 32.618 34.283 -1.665 25700 4026 1 8 . 1 1 6 6 VAL H H 6 8.588 8.588 8.229 0.359 25700 4027 1 8 . 1 1 7 7 GLU N N 7 125.816 125.816 122.890 2.926 25700 4028 1 8 . 1 1 7 7 GLU HA H 7 4.548 4.548 4.796 -0.248 25700 4029 1 8 . 1 1 7 7 GLU C C 7 174.194 174.194 174.547 -0.353 25700 4030 1 8 . 1 1 7 7 GLU CA C 7 54.524 54.524 54.418 0.106 25700 4031 1 8 . 1 1 7 7 GLU CB C 7 33.291 33.291 34.273 -0.982 25700 4032 1 8 . 1 1 7 7 GLU H H 7 8.820 8.820 9.026 -0.206 25700 4033 1 8 . 1 1 8 8 ALA N N 8 122.882 122.882 123.039 -0.157 25700 4034 1 8 . 1 1 8 8 ALA HA H 8 5.238 5.238 4.726 0.512 25700 4035 1 8 . 1 1 8 8 ALA C C 8 175.557 175.557 175.443 0.114 25700 4036 1 8 . 1 1 8 8 ALA CA C 8 49.950 49.950 50.931 -0.980 25700 4037 1 8 . 1 1 8 8 ALA CB C 8 22.730 22.730 21.357 1.373 25700 4038 1 8 . 1 1 8 8 ALA H H 8 8.410 8.410 8.372 0.038 25700 4039 1 8 . 1 1 9 9 ALA N N 9 124.110 124.110 127.881 -3.771 25700 4040 1 8 . 1 1 9 9 ALA HA H 9 4.691 4.691 4.815 -0.124 25700 4041 1 8 . 1 1 9 9 ALA C C 9 176.300 176.300 176.066 0.234 25700 4042 1 8 . 1 1 9 9 ALA CA C 9 50.825 50.825 50.197 0.628 25700 4043 1 8 . 1 1 9 9 ALA CB C 9 21.240 21.240 20.300 0.940 25700 4044 1 8 . 1 1 9 9 ALA H H 9 8.407 8.407 9.079 -0.672 25700 4045 1 8 . 1 1 10 10 VAL N N 10 126.780 126.780 126.102 0.678 25700 4046 1 8 . 1 1 10 10 VAL HA H 10 4.379 4.379 4.084 0.295 25700 4047 1 8 . 1 1 10 10 VAL C C 10 175.717 175.717 174.919 0.798 25700 4048 1 8 . 1 1 10 10 VAL CA C 10 61.580 61.580 62.600 -1.020 25700 4049 1 8 . 1 1 10 10 VAL CB C 10 32.209 32.209 32.134 0.075 25700 4050 1 8 . 1 1 10 10 VAL H H 10 8.860 8.860 7.912 0.948 25700 4051 1 8 . 1 1 11 11 SER N N 11 120.868 120.868 120.544 0.324 25700 4052 1 8 . 1 1 11 11 SER HA H 11 4.448 4.448 4.790 -0.342 25700 4053 1 8 . 1 1 11 11 SER C C 11 175.498 175.498 174.248 1.250 25700 4054 1 8 . 1 1 11 11 SER CA C 11 57.590 57.590 56.549 1.041 25700 4055 1 8 . 1 1 11 11 SER CB C 11 64.000 64.000 66.476 -2.476 25700 4056 1 8 . 1 1 11 11 SER H H 11 8.478 8.478 8.672 -0.194 25700 4057 1 8 . 1 1 12 12 GLY N N 12 116.896 116.896 108.284 8.612 25700 4058 1 8 . 1 1 12 12 GLY C C 12 174.994 174.994 174.745 0.249 25700 4059 1 8 . 1 1 12 12 GLY CA C 12 47.515 47.515 45.925 1.591 25700 4060 1 8 . 1 1 12 12 GLY H H 12 9.120 9.120 8.484 0.636 25700 4061 1 8 . 1 1 13 13 GLY N N 13 108.984 108.984 113.427 -4.443 25700 4062 1 8 . 1 1 13 13 GLY C C 13 174.440 174.440 173.540 0.900 25700 4063 1 8 . 1 1 13 13 GLY CA C 13 45.383 45.383 45.047 0.336 25700 4064 1 8 . 1 1 13 13 GLY H H 13 8.816 8.816 8.100 0.716 25700 4065 1 8 . 1 1 14 14 HIS N N 14 118.737 118.737 119.067 -0.330 25700 4066 1 8 . 1 1 14 14 HIS HA H 14 5.458 5.458 5.432 0.026 25700 4067 1 8 . 1 1 14 14 HIS C C 14 172.243 172.243 173.173 -0.930 25700 4068 1 8 . 1 1 14 14 HIS CA C 14 54.905 54.905 55.409 -0.504 25700 4069 1 8 . 1 1 14 14 HIS CB C 14 32.311 32.311 33.921 -1.610 25700 4070 1 8 . 1 1 14 14 HIS H H 14 8.084 8.084 7.528 0.556 25700 4071 1 8 . 1 1 15 15 VAL N N 15 120.204 120.204 123.897 -3.693 25700 4072 1 8 . 1 1 15 15 VAL HA H 15 4.932 4.932 4.807 0.125 25700 4073 1 8 . 1 1 15 15 VAL C C 15 172.314 172.314 174.191 -1.877 25700 4074 1 8 . 1 1 15 15 VAL CA C 15 58.540 58.540 60.061 -1.521 25700 4075 1 8 . 1 1 15 15 VAL CB C 15 34.285 34.285 34.287 -0.002 25700 4076 1 8 . 1 1 15 15 VAL H H 15 9.369 9.369 9.190 0.179 25700 4077 1 8 . 1 1 16 16 THR N N 16 123.685 123.685 126.759 -3.074 25700 4078 1 8 . 1 1 16 16 THR HA H 16 5.220 5.220 4.693 0.527 25700 4079 1 8 . 1 1 16 16 THR C C 16 174.478 174.478 172.902 1.576 25700 4080 1 8 . 1 1 16 16 THR CA C 16 61.481 61.481 62.538 -1.057 25700 4081 1 8 . 1 1 16 16 THR CB C 16 70.017 70.017 69.331 0.686 25700 4082 1 8 . 1 1 16 16 THR H H 16 8.604 8.604 9.194 -0.590 25700 4083 1 8 . 1 1 17 17 LEU N N 17 128.958 128.958 129.305 -0.347 25700 4084 1 8 . 1 1 17 17 LEU HA H 17 5.407 5.407 4.798 0.609 25700 4085 1 8 . 1 1 17 17 LEU C C 17 174.481 174.481 174.315 0.166 25700 4086 1 8 . 1 1 17 17 LEU CA C 17 53.999 53.999 53.938 0.061 25700 4087 1 8 . 1 1 17 17 LEU CB C 17 44.108 44.108 45.090 -0.982 25700 4088 1 8 . 1 1 17 17 LEU H H 17 9.627 9.627 9.256 0.371 25700 4089 1 8 . 1 1 18 18 GLN N N 18 115.227 115.227 121.308 -6.081 25700 4090 1 8 . 1 1 18 18 GLN HA H 18 4.465 4.465 5.372 -0.907 25700 4091 1 8 . 1 1 18 18 GLN C C 18 174.042 174.042 174.448 -0.406 25700 4092 1 8 . 1 1 18 18 GLN CA C 18 53.725 53.725 53.911 -0.186 25700 4093 1 8 . 1 1 18 18 GLN CB C 18 31.767 31.767 34.486 -2.719 25700 4094 1 8 . 1 1 18 18 GLN H H 18 8.243 8.243 8.638 -0.395 25700 4095 1 8 . 1 1 19 19 GLY N N 19 107.795 107.795 107.469 0.326 25700 4096 1 8 . 1 1 19 19 GLY C C 19 172.005 172.005 172.309 -0.304 25700 4097 1 8 . 1 1 19 19 GLY CA C 19 44.485 44.485 43.771 0.714 25700 4098 1 8 . 1 1 19 19 GLY H H 19 9.100 9.100 8.907 0.193 25700 4099 1 8 . 1 1 20 20 VAL N N 20 120.951 120.951 127.590 -6.639 25700 4100 1 8 . 1 1 20 20 VAL HA H 20 4.634 4.634 4.087 0.547 25700 4101 1 8 . 1 1 20 20 VAL C C 20 175.670 175.670 175.259 0.411 25700 4102 1 8 . 1 1 20 20 VAL CA C 20 61.380 61.380 62.603 -1.223 25700 4103 1 8 . 1 1 20 20 VAL CB C 20 33.990 33.990 32.405 1.585 25700 4104 1 8 . 1 1 20 20 VAL H H 20 8.859 8.859 8.633 0.226 25700 4105 1 8 . 1 1 21 21 ILE N N 21 129.511 129.511 131.381 -1.870 25700 4106 1 8 . 1 1 21 21 ILE HA H 21 4.443 4.443 4.455 -0.012 25700 4107 1 8 . 1 1 21 21 ILE C C 21 174.567 174.567 175.482 -0.915 25700 4108 1 8 . 1 1 21 21 ILE CA C 21 59.883 59.883 60.206 -0.323 25700 4109 1 8 . 1 1 21 21 ILE CB C 21 41.152 41.152 38.787 2.365 25700 4110 1 8 . 1 1 21 21 ILE H H 21 9.304 9.304 9.195 0.109 25700 4111 1 8 . 1 1 22 22 THR N N 22 120.311 120.311 126.000 -5.689 25700 4112 1 8 . 1 1 22 22 THR HA H 22 4.479 4.479 4.893 -0.414 25700 4113 1 8 . 1 1 22 22 THR C C 22 172.996 172.996 173.465 -0.469 25700 4114 1 8 . 1 1 22 22 THR CA C 22 61.647 61.647 62.802 -1.155 25700 4115 1 8 . 1 1 22 22 THR CB C 22 70.230 70.230 69.399 0.831 25700 4116 1 8 . 1 1 22 22 THR H H 22 8.063 8.063 8.521 -0.458 25700 4117 1 8 . 1 1 23 23 ALA N N 23 104.959 104.959 129.303 -24.344 25700 4118 1 8 . 1 1 23 23 ALA HA H 23 5.056 5.056 4.814 0.242 25700 4119 1 8 . 1 1 23 23 ALA C C 23 177.722 177.722 176.865 0.857 25700 4120 1 8 . 1 1 23 23 ALA CA C 23 49.963 49.963 50.262 -0.299 25700 4121 1 8 . 1 1 23 23 ALA CB C 23 22.915 22.915 21.065 1.850 25700 4122 1 8 . 1 1 23 23 ALA H H 23 9.764 9.764 8.683 1.081 25700 4123 1 8 . 1 1 24 24 VAL N N 24 113.370 113.370 122.194 -8.824 25700 4124 1 8 . 1 1 24 24 VAL HA H 24 4.083 4.083 4.025 0.058 25700 4125 1 8 . 1 1 24 24 VAL C C 24 174.539 174.539 175.586 -1.047 25700 4126 1 8 . 1 1 24 24 VAL CA C 24 62.339 62.339 63.617 -1.278 25700 4127 1 8 . 1 1 24 24 VAL CB C 24 31.933 31.933 31.295 0.638 25700 4128 1 8 . 1 1 24 24 VAL H H 24 8.239 8.239 8.201 0.038 25700 4129 1 8 . 1 1 25 25 ARG N N 25 116.002 116.002 118.849 -2.847 25700 4130 1 8 . 1 1 25 25 ARG HA H 25 4.740 4.740 4.525 0.215 25700 4131 1 8 . 1 1 25 25 ARG C C 25 172.797 172.797 174.373 -1.576 25700 4132 1 8 . 1 1 25 25 ARG CA C 25 53.284 53.284 53.636 -0.352 25700 4133 1 8 . 1 1 25 25 ARG CB C 25 33.542 33.542 32.879 0.663 25700 4134 1 8 . 1 1 25 25 ARG H H 25 7.308 7.308 7.571 -0.263 25700 4135 1 8 . 1 1 26 26 ASP N N 26 118.075 118.075 122.052 -3.977 25700 4136 1 8 . 1 1 26 26 ASP HA H 26 4.665 4.665 4.888 -0.223 25700 4137 1 8 . 1 1 26 26 ASP C C 26 177.721 177.721 175.972 1.749 25700 4138 1 8 . 1 1 26 26 ASP CA C 26 53.911 53.911 53.676 0.235 25700 4139 1 8 . 1 1 26 26 ASP CB C 26 41.143 41.143 41.712 -0.569 25700 4140 1 8 . 1 1 26 26 ASP H H 26 8.301 8.301 8.311 -0.010 25700 4141 1 8 . 1 1 27 27 GLY N N 27 106.966 106.966 109.887 -2.921 25700 4142 1 8 . 1 1 27 27 GLY C C 27 170.472 170.472 172.072 -1.600 25700 4143 1 8 . 1 1 27 27 GLY CA C 27 46.213 46.213 45.447 0.766 25700 4144 1 8 . 1 1 27 27 GLY H H 27 8.276 8.276 8.814 -0.538 25700 4145 1 8 . 1 1 28 28 ALA N N 28 122.805 122.805 122.899 -0.094 25700 4146 1 8 . 1 1 28 28 ALA HA H 28 4.898 4.898 5.110 -0.212 25700 4147 1 8 . 1 1 28 28 ALA C C 28 176.720 176.720 175.612 1.108 25700 4148 1 8 . 1 1 28 28 ALA CA C 28 50.756 50.756 50.873 -0.117 25700 4149 1 8 . 1 1 28 28 ALA CB C 28 21.482 21.482 21.206 0.276 25700 4150 1 8 . 1 1 28 28 ALA H H 28 8.065 8.065 8.163 -0.098 25700 4151 1 8 . 1 1 29 29 GLY N N 29 106.538 106.538 107.931 -1.393 25700 4152 1 8 . 1 1 29 29 GLY C C 29 172.866 172.866 170.964 1.902 25700 4153 1 8 . 1 1 29 29 GLY CA C 29 45.538 45.538 42.950 2.588 25700 4154 1 8 . 1 1 29 29 GLY H H 29 7.654 7.654 8.797 -1.143 25700 4155 1 8 . 1 1 30 30 SER N N 30 116.216 116.216 113.198 3.018 25700 4156 1 8 . 1 1 30 30 SER HA H 30 5.564 5.564 4.677 0.887 25700 4157 1 8 . 1 1 30 30 SER C C 30 172.216 172.216 172.660 -0.444 25700 4158 1 8 . 1 1 30 30 SER CA C 30 57.505 57.505 56.558 0.947 25700 4159 1 8 . 1 1 30 30 SER CB C 30 66.321 66.321 65.766 0.555 25700 4160 1 8 . 1 1 30 30 SER H H 30 9.185 9.185 7.754 1.431 25700 4161 1 8 . 1 1 31 31 TYR N N 31 118.467 118.467 117.013 1.454 25700 4162 1 8 . 1 1 31 31 TYR HA H 31 6.035 6.035 5.095 0.940 25700 4163 1 8 . 1 1 31 31 TYR C C 31 174.138 174.138 173.797 0.341 25700 4164 1 8 . 1 1 31 31 TYR CA C 31 55.806 55.806 56.360 -0.554 25700 4165 1 8 . 1 1 31 31 TYR CB C 31 43.091 43.091 41.353 1.738 25700 4166 1 8 . 1 1 31 31 TYR H H 31 9.215 9.215 8.689 0.526 25700 4167 1 8 . 1 1 32 32 LYS N N 32 121.086 121.086 119.744 1.342 25700 4168 1 8 . 1 1 32 32 LYS HA H 32 4.772 4.772 4.971 -0.199 25700 4169 1 8 . 1 1 32 32 LYS C C 32 173.750 173.750 174.356 -0.606 25700 4170 1 8 . 1 1 32 32 LYS CA C 32 56.495 56.495 55.339 1.156 25700 4171 1 8 . 1 1 32 32 LYS CB C 32 35.800 35.800 34.818 0.982 25700 4172 1 8 . 1 1 32 32 LYS H H 32 8.904 8.904 9.300 -0.396 25700 4173 1 8 . 1 1 33 33 LEU N N 33 128.296 128.296 127.301 0.995 25700 4174 1 8 . 1 1 33 33 LEU HA H 33 5.329 5.329 4.879 0.450 25700 4175 1 8 . 1 1 33 33 LEU C C 33 173.389 173.389 174.182 -0.793 25700 4176 1 8 . 1 1 33 33 LEU CA C 33 53.547 53.547 53.056 0.492 25700 4177 1 8 . 1 1 33 33 LEU CB C 33 45.460 45.460 44.014 1.446 25700 4178 1 8 . 1 1 33 33 LEU H H 33 9.663 9.663 9.060 0.603 25700 4179 1 8 . 1 1 34 34 ALA N N 34 129.791 129.791 130.522 -0.731 25700 4180 1 8 . 1 1 34 34 ALA HA H 34 5.419 5.419 5.080 0.339 25700 4181 1 8 . 1 1 34 34 ALA C C 34 176.313 176.313 175.349 0.964 25700 4182 1 8 . 1 1 34 34 ALA CA C 34 50.605 50.605 49.949 0.656 25700 4183 1 8 . 1 1 34 34 ALA CB C 34 21.237 21.237 22.256 -1.019 25700 4184 1 8 . 1 1 34 34 ALA H H 34 9.044 9.044 9.327 -0.283 25700 4185 1 8 . 1 1 35 35 VAL N N 35 124.532 124.532 122.056 2.476 25700 4186 1 8 . 1 1 35 35 VAL HA H 35 4.844 4.844 4.603 0.241 25700 4187 1 8 . 1 1 35 35 VAL C C 35 173.511 173.511 174.259 -0.748 25700 4188 1 8 . 1 1 35 35 VAL CA C 35 61.113 61.113 61.318 -0.205 25700 4189 1 8 . 1 1 35 35 VAL CB C 35 35.152 35.152 34.955 0.197 25700 4190 1 8 . 1 1 35 35 VAL H H 35 9.332 9.332 9.025 0.307 25700 4191 1 8 . 1 1 36 36 ASP N N 36 127.077 127.077 126.890 0.187 25700 4192 1 8 . 1 1 36 36 ASP HA H 36 5.560 5.560 5.343 0.217 25700 4193 1 8 . 1 1 36 36 ASP C C 36 174.146 174.146 174.476 -0.330 25700 4194 1 8 . 1 1 36 36 ASP CA C 36 53.219 53.219 52.612 0.607 25700 4195 1 8 . 1 1 36 36 ASP CB C 36 44.387 44.387 43.330 1.057 25700 4196 1 8 . 1 1 36 36 ASP H H 36 9.169 9.169 9.253 -0.084 25700 4197 1 8 . 1 1 37 37 LYS N N 37 122.568 122.568 127.434 -4.866 25700 4198 1 8 . 1 1 37 37 LYS HA H 37 4.673 4.673 5.474 -0.801 25700 4199 1 8 . 1 1 37 37 LYS C C 37 173.710 173.710 174.232 -0.522 25700 4200 1 8 . 1 1 37 37 LYS CA C 37 54.410 54.410 54.591 -0.181 25700 4201 1 8 . 1 1 37 37 LYS CB C 37 34.907 34.907 36.032 -1.125 25700 4202 1 8 . 1 1 37 37 LYS H H 37 8.665 8.665 8.661 0.004 25700 4203 1 8 . 1 1 38 38 ALA N N 38 130.221 130.221 129.349 0.872 25700 4204 1 8 . 1 1 38 38 ALA HA H 38 4.983 4.983 5.279 -0.296 25700 4205 1 8 . 1 1 38 38 ALA C C 38 176.141 176.141 175.363 0.778 25700 4206 1 8 . 1 1 38 38 ALA CA C 38 51.093 51.093 50.856 0.237 25700 4207 1 8 . 1 1 38 38 ALA CB C 38 21.778 21.778 21.512 0.266 25700 4208 1 8 . 1 1 38 38 ALA H H 38 8.798 8.798 9.121 -0.323 25700 4209 1 8 . 1 1 39 39 GLY N N 39 109.328 109.328 109.529 -0.201 25700 4210 1 8 . 1 1 39 39 GLY C C 39 174.208 174.208 174.197 0.011 25700 4211 1 8 . 1 1 39 39 GLY CA C 39 44.645 44.645 44.279 0.367 25700 4212 1 8 . 1 1 39 39 GLY H H 39 7.851 7.851 8.282 -0.431 25700 4213 1 8 . 1 1 40 40 ALA N N 40 125.088 125.088 121.991 3.097 25700 4214 1 8 . 1 1 40 40 ALA HA H 40 4.051 4.051 4.120 -0.069 25700 4215 1 8 . 1 1 40 40 ALA C C 40 178.917 178.917 178.288 0.629 25700 4216 1 8 . 1 1 40 40 ALA CA C 40 54.841 54.841 54.303 0.538 25700 4217 1 8 . 1 1 40 40 ALA CB C 40 18.293 18.293 18.631 -0.338 25700 4218 1 8 . 1 1 40 40 ALA H H 40 8.766 8.766 8.419 0.347 25700 4219 1 8 . 1 1 41 41 ALA N N 41 117.569 117.569 120.189 -2.620 25700 4220 1 8 . 1 1 41 41 ALA HA H 41 4.419 4.419 4.455 -0.036 25700 4221 1 8 . 1 1 41 41 ALA C C 41 177.136 177.136 177.608 -0.472 25700 4222 1 8 . 1 1 41 41 ALA CA C 41 51.929 51.929 51.259 0.670 25700 4223 1 8 . 1 1 41 41 ALA CB C 41 18.774 18.774 18.599 0.176 25700 4224 1 8 . 1 1 41 41 ALA H H 41 8.300 8.300 8.021 0.279 25700 4225 1 8 . 1 1 42 42 GLY N N 42 106.796 106.796 106.825 -0.029 25700 4226 1 8 . 1 1 42 42 GLY C C 42 173.379 173.379 172.335 1.044 25700 4227 1 8 . 1 1 42 42 GLY CA C 42 44.336 44.336 44.388 -0.052 25700 4228 1 8 . 1 1 42 42 GLY H H 42 7.577 7.577 7.619 -0.042 25700 4229 1 8 . 1 1 43 43 THR N N 43 116.541 116.541 112.450 4.091 25700 4230 1 8 . 1 1 43 43 THR HA H 43 5.263 5.263 5.417 -0.154 25700 4231 1 8 . 1 1 43 43 THR C C 43 174.244 174.244 174.271 -0.027 25700 4232 1 8 . 1 1 43 43 THR CA C 43 61.137 61.137 60.585 0.552 25700 4233 1 8 . 1 1 43 43 THR CB C 43 70.759 70.759 70.428 0.331 25700 4234 1 8 . 1 1 43 43 THR H H 43 8.526 8.526 8.207 0.319 25700 4235 1 8 . 1 1 44 44 SER N N 44 120.903 120.903 121.345 -0.442 25700 4236 1 8 . 1 1 44 44 SER HA H 44 4.759 4.759 4.754 0.005 25700 4237 1 8 . 1 1 44 44 SER C C 44 172.241 172.241 173.409 -1.168 25700 4238 1 8 . 1 1 44 44 SER CA C 44 57.340 57.340 57.280 0.060 25700 4239 1 8 . 1 1 44 44 SER CB C 44 65.568 65.568 65.767 -0.199 25700 4240 1 8 . 1 1 44 44 SER H H 44 8.904 8.904 9.219 -0.315 25700 4241 1 8 . 1 1 45 45 ARG N N 45 124.546 124.546 124.968 -0.422 25700 4242 1 8 . 1 1 45 45 ARG HA H 45 5.489 5.489 4.726 0.763 25700 4243 1 8 . 1 1 45 45 ARG C C 45 175.520 175.520 175.777 -0.257 25700 4244 1 8 . 1 1 45 45 ARG CA C 45 55.101 55.101 54.706 0.395 25700 4245 1 8 . 1 1 45 45 ARG CB C 45 32.760 32.760 30.321 2.439 25700 4246 1 8 . 1 1 45 45 ARG H H 45 8.579 8.579 8.640 -0.061 25700 4247 1 8 . 1 1 46 46 ILE N N 46 127.920 127.920 127.035 0.885 25700 4248 1 8 . 1 1 46 46 ILE HA H 46 4.460 4.460 4.374 0.086 25700 4249 1 8 . 1 1 46 46 ILE C C 46 174.450 174.450 174.749 -0.299 25700 4250 1 8 . 1 1 46 46 ILE CA C 46 60.220 60.220 60.444 -0.224 25700 4251 1 8 . 1 1 46 46 ILE CB C 46 41.290 41.290 40.488 0.802 25700 4252 1 8 . 1 1 46 46 ILE H H 46 9.344 9.344 9.095 0.249 25700 4253 1 8 . 1 1 47 47 LYS N N 47 126.061 126.061 126.145 -0.084 25700 4254 1 8 . 1 1 47 47 LYS HA H 47 5.514 5.514 4.845 0.669 25700 4255 1 8 . 1 1 47 47 LYS C C 47 175.790 175.790 175.182 0.608 25700 4256 1 8 . 1 1 47 47 LYS CA C 47 54.870 54.870 55.580 -0.710 25700 4257 1 8 . 1 1 47 47 LYS CB C 47 35.386 35.386 35.304 0.082 25700 4258 1 8 . 1 1 47 47 LYS H H 47 8.734 8.734 8.597 0.137 25700 4259 1 8 . 1 1 48 48 GLN N N 48 122.633 122.633 124.892 -2.259 25700 4260 1 8 . 1 1 48 48 GLN HA H 48 4.669 4.669 4.649 0.020 25700 4261 1 8 . 1 1 48 48 GLN C C 48 173.659 173.659 173.797 -0.138 25700 4262 1 8 . 1 1 48 48 GLN CA C 48 54.895 54.895 54.930 -0.035 25700 4263 1 8 . 1 1 48 48 GLN CB C 48 33.072 33.072 32.182 0.890 25700 4264 1 8 . 1 1 48 48 GLN H H 48 9.228 9.228 9.069 0.159 25700 4265 1 8 . 1 1 49 49 ALA N N 49 125.634 125.634 126.012 -0.378 25700 4266 1 8 . 1 1 49 49 ALA HA H 49 4.544 4.544 5.393 -0.849 25700 4267 1 8 . 1 1 49 49 ALA C C 49 175.881 175.881 176.325 -0.444 25700 4268 1 8 . 1 1 49 49 ALA CA C 49 50.993 50.993 51.013 -0.020 25700 4269 1 8 . 1 1 49 49 ALA CB C 49 22.620 22.620 21.689 0.931 25700 4270 1 8 . 1 1 49 49 ALA H H 49 8.557 8.557 8.504 0.053 25700 4271 1 8 . 1 1 50 50 GLY N N 50 105.483 105.483 108.299 -2.816 25700 4272 1 8 . 1 1 50 50 GLY C C 50 170.217 170.217 171.571 -1.354 25700 4273 1 8 . 1 1 50 50 GLY CA C 50 45.670 45.670 46.047 -0.377 25700 4274 1 8 . 1 1 50 50 GLY H H 50 6.865 6.865 8.449 -1.584 25700 4275 1 8 . 1 1 51 51 ALA N N 51 122.908 122.908 122.087 0.821 25700 4276 1 8 . 1 1 51 51 ALA HA H 51 5.265 5.265 4.893 0.372 25700 4277 1 8 . 1 1 51 51 ALA C C 51 176.793 176.793 175.178 1.615 25700 4278 1 8 . 1 1 51 51 ALA CA C 51 50.736 50.736 50.733 0.003 25700 4279 1 8 . 1 1 51 51 ALA CB C 51 21.840 21.840 21.681 0.159 25700 4280 1 8 . 1 1 51 51 ALA H H 51 8.522 8.522 8.095 0.427 25700 4281 1 8 . 1 1 52 52 PHE N N 52 115.156 115.156 121.024 -5.868 25700 4282 1 8 . 1 1 52 52 PHE HA H 52 5.106 5.106 4.882 0.224 25700 4283 1 8 . 1 1 52 52 PHE C C 52 172.832 172.832 173.839 -1.007 25700 4284 1 8 . 1 1 52 52 PHE CA C 52 56.890 56.890 56.567 0.323 25700 4285 1 8 . 1 1 52 52 PHE CB C 52 42.428 42.428 42.846 -0.418 25700 4286 1 8 . 1 1 52 52 PHE H H 52 8.191 8.191 9.001 -0.810 25700 4287 1 8 . 1 1 53 53 THR N N 53 116.180 116.180 116.861 -0.681 25700 4288 1 8 . 1 1 53 53 THR HA H 53 4.631 4.631 4.504 0.127 25700 4289 1 8 . 1 1 53 53 THR C C 53 172.769 172.769 173.174 -0.405 25700 4290 1 8 . 1 1 53 53 THR CA C 53 61.610 61.610 61.398 0.212 25700 4291 1 8 . 1 1 53 53 THR CB C 53 70.736 70.736 68.298 2.438 25700 4292 1 8 . 1 1 53 53 THR H H 53 8.650 8.650 6.748 1.902 25700 4293 1 8 . 1 1 54 54 ALA N N 54 127.969 127.969 129.710 -1.741 25700 4294 1 8 . 1 1 54 54 ALA HA H 54 4.748 4.748 4.783 -0.035 25700 4295 1 8 . 1 1 54 54 ALA C C 54 176.369 176.369 175.009 1.360 25700 4296 1 8 . 1 1 54 54 ALA CA C 54 51.397 51.397 50.242 1.155 25700 4297 1 8 . 1 1 54 54 ALA CB C 54 22.010 22.010 22.486 -0.476 25700 4298 1 8 . 1 1 54 54 ALA H H 54 9.353 9.353 8.695 0.658 25700 4299 1 8 . 1 1 55 55 ILE N N 55 123.326 123.326 120.681 2.645 25700 4300 1 8 . 1 1 55 55 ILE HA H 55 4.391 4.391 4.339 0.052 25700 4301 1 8 . 1 1 55 55 ILE C C 55 176.079 176.079 175.369 0.710 25700 4302 1 8 . 1 1 55 55 ILE CA C 55 59.138 59.138 59.570 -0.432 25700 4303 1 8 . 1 1 55 55 ILE CB C 55 39.451 39.451 41.305 -1.854 25700 4304 1 8 . 1 1 55 55 ILE H H 55 7.856 7.856 8.618 -0.762 25700 4305 1 8 . 1 1 56 56 ALA N N 56 130.280 130.280 128.449 1.831 25700 4306 1 8 . 1 1 56 56 ALA HA H 56 3.493 3.493 4.351 -0.858 25700 4307 1 8 . 1 1 56 56 ALA C C 56 177.405 177.405 177.708 -0.303 25700 4308 1 8 . 1 1 56 56 ALA CA C 56 54.156 54.156 52.380 1.776 25700 4309 1 8 . 1 1 56 56 ALA CB C 56 18.871 18.871 18.757 0.114 25700 4310 1 8 . 1 1 56 56 ALA H H 56 9.104 9.104 8.492 0.612 25700 4311 1 8 . 1 1 57 57 GLU N N 57 113.081 113.081 119.089 -6.008 25700 4312 1 8 . 1 1 57 57 GLU HA H 57 3.614 3.614 3.784 -0.170 25700 4313 1 8 . 1 1 57 57 GLU C C 57 174.959 174.959 175.326 -0.367 25700 4314 1 8 . 1 1 57 57 GLU CA C 57 58.080 58.080 57.533 0.547 25700 4315 1 8 . 1 1 57 57 GLU CB C 57 27.141 27.141 28.248 -1.107 25700 4316 1 8 . 1 1 57 57 GLU H H 57 9.007 9.007 8.911 0.096 25700 4317 1 8 . 1 1 58 58 GLN N N 58 119.796 119.796 117.590 2.206 25700 4318 1 8 . 1 1 58 58 GLN HA H 58 4.519 4.519 4.675 -0.156 25700 4319 1 8 . 1 1 58 58 GLN C C 58 175.217 175.217 174.749 0.468 25700 4320 1 8 . 1 1 58 58 GLN CA C 58 54.379 54.379 53.673 0.706 25700 4321 1 8 . 1 1 58 58 GLN CB C 58 30.102 30.102 31.576 -1.474 25700 4322 1 8 . 1 1 58 58 GLN H H 58 8.061 8.061 7.747 0.314 25700 4323 1 8 . 1 1 59 59 ARG N N 59 124.810 124.810 122.763 2.047 25700 4324 1 8 . 1 1 59 59 ARG HA H 59 4.286 4.286 4.503 -0.217 25700 4325 1 8 . 1 1 59 59 ARG C C 59 176.396 176.396 175.956 0.440 25700 4326 1 8 . 1 1 59 59 ARG CA C 59 56.810 56.810 55.893 0.917 25700 4327 1 8 . 1 1 59 59 ARG CB C 59 30.906 30.906 30.808 0.098 25700 4328 1 8 . 1 1 59 59 ARG H H 59 8.486 8.486 8.563 -0.077 25700 4329 1 8 . 1 1 60 60 VAL N N 60 127.238 127.238 127.689 -0.451 25700 4330 1 8 . 1 1 60 60 VAL HA H 60 4.319 4.319 4.353 -0.034 25700 4331 1 8 . 1 1 60 60 VAL C C 60 174.543 174.543 174.943 -0.400 25700 4332 1 8 . 1 1 60 60 VAL CA C 60 61.227 61.227 60.910 0.317 25700 4333 1 8 . 1 1 60 60 VAL CB C 60 34.177 34.177 33.716 0.461 25700 4334 1 8 . 1 1 60 60 VAL H H 60 9.033 9.033 9.237 -0.204 25700 4335 1 8 . 1 1 61 61 THR N N 61 120.913 120.913 124.574 -3.661 25700 4336 1 8 . 1 1 61 61 THR HA H 61 5.096 5.096 4.712 0.384 25700 4337 1 8 . 1 1 61 61 THR C C 61 174.645 174.645 173.775 0.870 25700 4338 1 8 . 1 1 61 61 THR CA C 61 60.686 60.686 61.971 -1.285 25700 4339 1 8 . 1 1 61 61 THR CB C 61 69.710 69.710 69.230 0.480 25700 4340 1 8 . 1 1 61 61 THR H H 61 8.340 8.340 8.594 -0.254 25700 4341 1 8 . 1 1 62 62 VAL N N 62 117.650 117.650 125.601 -7.951 25700 4342 1 8 . 1 1 62 62 VAL HA H 62 4.294 4.294 4.087 0.207 25700 4343 1 8 . 1 1 62 62 VAL C C 62 174.530 174.530 175.123 -0.593 25700 4344 1 8 . 1 1 62 62 VAL CA C 62 58.641 58.641 60.734 -2.093 25700 4345 1 8 . 1 1 62 62 VAL CB C 62 34.263 34.263 35.191 -0.928 25700 4346 1 8 . 1 1 62 62 VAL H H 62 8.658 8.658 8.944 -0.286 25700 4347 1 8 . 1 1 63 63 GLY N N 63 107.924 107.924 113.508 -5.584 25700 4348 1 8 . 1 1 63 63 GLY C C 63 172.475 172.475 173.333 -0.858 25700 4349 1 8 . 1 1 63 63 GLY CA C 63 43.668 43.668 44.804 -1.136 25700 4350 1 8 . 1 1 63 63 GLY H H 63 7.857 7.857 8.566 -0.709 25700 4351 1 8 . 1 1 64 64 ASN N N 64 116.073 116.073 120.297 -4.224 25700 4352 1 8 . 1 1 64 64 ASN HA H 64 4.530 4.530 4.651 -0.121 25700 4353 1 8 . 1 1 64 64 ASN C C 64 173.307 173.307 174.993 -1.686 25700 4354 1 8 . 1 1 64 64 ASN CA C 64 55.380 55.380 52.685 2.695 25700 4355 1 8 . 1 1 64 64 ASN CB C 64 39.159 39.159 38.902 0.257 25700 4356 1 8 . 1 1 64 64 ASN H H 64 8.933 8.933 7.864 1.069 25700 4357 1 8 . 1 1 65 65 VAL N N 65 126.612 126.612 125.446 1.166 25700 4358 1 8 . 1 1 65 65 VAL HA H 65 4.238 4.238 4.275 -0.037 25700 4359 1 8 . 1 1 65 65 VAL C C 65 173.538 173.538 174.605 -1.067 25700 4360 1 8 . 1 1 65 65 VAL CA C 65 61.970 61.970 61.281 0.689 25700 4361 1 8 . 1 1 65 65 VAL CB C 65 33.829 33.829 34.571 -0.742 25700 4362 1 8 . 1 1 65 65 VAL H H 65 8.548 8.548 8.489 0.059 25700 4363 1 8 . 1 1 66 66 VAL N N 66 127.886 127.886 127.430 0.456 25700 4364 1 8 . 1 1 66 66 VAL HA H 66 4.990 4.990 4.445 0.545 25700 4365 1 8 . 1 1 66 66 VAL C C 66 175.271 175.271 175.815 -0.544 25700 4366 1 8 . 1 1 66 66 VAL CA C 66 61.360 61.360 60.851 0.509 25700 4367 1 8 . 1 1 66 66 VAL CB C 66 32.923 32.923 31.637 1.286 25700 4368 1 8 . 1 1 66 66 VAL H H 66 8.364 8.364 8.468 -0.104 25700 4369 1 8 . 1 1 67 67 LEU N N 67 126.454 126.454 127.580 -1.126 25700 4370 1 8 . 1 1 67 67 LEU HA H 67 4.955 4.955 4.712 0.243 25700 4371 1 8 . 1 1 67 67 LEU C C 67 176.547 176.547 176.340 0.207 25700 4372 1 8 . 1 1 67 67 LEU CA C 67 52.492 52.492 52.149 0.343 25700 4373 1 8 . 1 1 67 67 LEU CB C 67 46.685 46.685 43.219 3.466 25700 4374 1 8 . 1 1 67 67 LEU H H 67 9.050 9.050 9.070 -0.020 25700 4375 1 8 . 1 1 68 68 ASP N N 68 119.799 119.799 119.564 0.235 25700 4376 1 8 . 1 1 68 68 ASP HA H 68 4.609 4.609 4.723 -0.114 25700 4377 1 8 . 1 1 68 68 ASP C C 68 176.247 176.247 175.791 0.456 25700 4378 1 8 . 1 1 68 68 ASP CA C 68 55.492 55.492 53.682 1.810 25700 4379 1 8 . 1 1 68 68 ASP CB C 68 40.566 40.566 41.039 -0.473 25700 4380 1 8 . 1 1 68 68 ASP H H 68 8.722 8.722 8.589 0.133 25700 4381 1 8 . 1 1 69 69 TYR N N 69 123.398 123.398 125.965 -2.567 25700 4382 1 8 . 1 1 69 69 TYR HA H 69 4.651 4.651 4.511 0.140 25700 4383 1 8 . 1 1 69 69 TYR C C 69 174.253 174.253 173.974 0.279 25700 4384 1 8 . 1 1 69 69 TYR CA C 69 57.767 57.767 58.703 -0.936 25700 4385 1 8 . 1 1 69 69 TYR CB C 69 40.067 40.067 38.956 1.111 25700 4386 1 8 . 1 1 69 69 TYR H H 69 8.603 8.603 8.093 0.510 25700 4387 1 8 . 1 1 70 70 SER N N 70 121.308 121.308 122.691 -1.383 25700 4388 1 8 . 1 1 70 70 SER HA H 70 4.059 4.059 4.140 -0.081 25700 4389 1 8 . 1 1 70 70 SER C C 70 174.851 174.851 174.496 0.355 25700 4390 1 8 . 1 1 70 70 SER CA C 70 56.341 56.341 56.438 -0.097 25700 4391 1 8 . 1 1 70 70 SER CB C 70 64.634 64.634 65.603 -0.969 25700 4392 1 8 . 1 1 70 70 SER H H 70 6.749 6.749 8.250 -1.501 25700 4393 1 8 . 1 1 71 71 SER N N 71 122.764 122.764 118.767 3.997 25700 4394 1 8 . 1 1 71 71 SER HA H 71 4.221 4.221 4.276 -0.055 25700 4395 1 8 . 1 1 71 71 SER C C 71 174.098 174.098 175.517 -1.419 25700 4396 1 8 . 1 1 71 71 SER CA C 71 60.326 60.326 60.734 -0.408 25700 4397 1 8 . 1 1 71 71 SER CB C 71 62.814 62.814 62.937 -0.123 25700 4398 1 8 . 1 1 71 71 SER H H 71 8.907 8.907 8.355 0.552 25700 4399 1 8 . 1 1 72 72 ALA N N 72 122.199 122.199 122.032 0.167 25700 4400 1 8 . 1 1 72 72 ALA HA H 72 4.320 4.320 4.401 -0.081 25700 4401 1 8 . 1 1 72 72 ALA C C 72 177.749 177.749 177.267 0.482 25700 4402 1 8 . 1 1 72 72 ALA CA C 72 52.283 52.283 51.605 0.679 25700 4403 1 8 . 1 1 72 72 ALA CB C 72 18.950 18.950 18.552 0.398 25700 4404 1 8 . 1 1 72 72 ALA H H 72 7.869 7.869 7.857 0.012 25700 4405 1 8 . 1 1 73 73 ASN N N 73 116.297 116.297 117.746 -1.449 25700 4406 1 8 . 1 1 73 73 ASN HA H 73 5.076 5.076 4.478 0.598 25700 4407 1 8 . 1 1 73 73 ASN C C 73 173.794 173.794 174.844 -1.050 25700 4408 1 8 . 1 1 73 73 ASN CA C 73 51.612 51.612 52.849 -1.237 25700 4409 1 8 . 1 1 73 73 ASN CB C 73 40.647 40.647 39.203 1.444 25700 4410 1 8 . 1 1 73 73 ASN H H 73 7.265 7.265 7.553 -0.288 25700 4411 1 8 . 1 1 74 74 ARG N N 74 118.937 118.937 122.734 -3.797 25700 4412 1 8 . 1 1 74 74 ARG HA H 74 4.684 4.684 4.429 0.255 25700 4413 1 8 . 1 1 74 74 ARG C C 74 174.943 174.943 174.152 0.791 25700 4414 1 8 . 1 1 74 74 ARG CA C 74 54.523 54.523 54.260 0.263 25700 4415 1 8 . 1 1 74 74 ARG CB C 74 32.331 32.331 29.674 2.658 25700 4416 1 8 . 1 1 74 74 ARG H H 74 8.529 8.529 7.894 0.635 25700 4417 1 8 . 1 1 75 75 TYR N N 75 122.282 122.282 124.288 -2.006 25700 4418 1 8 . 1 1 75 75 TYR HA H 75 5.159 5.159 5.249 -0.090 25700 4419 1 8 . 1 1 75 75 TYR C C 75 173.593 173.593 174.202 -0.609 25700 4420 1 8 . 1 1 75 75 TYR CA C 75 57.080 57.080 56.592 0.488 25700 4421 1 8 . 1 1 75 75 TYR CB C 75 41.202 41.202 40.876 0.326 25700 4422 1 8 . 1 1 75 75 TYR H H 75 8.691 8.691 8.390 0.301 25700 4423 1 8 . 1 1 76 76 ALA N N 76 122.606 122.606 124.649 -2.043 25700 4424 1 8 . 1 1 76 76 ALA HA H 76 4.788 4.788 4.884 -0.096 25700 4425 1 8 . 1 1 76 76 ALA C C 76 175.765 175.765 174.858 0.907 25700 4426 1 8 . 1 1 76 76 ALA CA C 76 50.543 50.543 49.935 0.608 25700 4427 1 8 . 1 1 76 76 ALA CB C 76 23.070 23.070 22.920 0.150 25700 4428 1 8 . 1 1 76 76 ALA H H 76 8.688 8.688 9.311 -0.623 25700 4429 1 8 . 1 1 77 77 ALA N N 77 119.325 119.325 120.999 -1.674 25700 4430 1 8 . 1 1 77 77 ALA HA H 77 5.488 5.488 5.282 0.206 25700 4431 1 8 . 1 1 77 77 ALA C C 77 174.473 174.473 175.491 -1.018 25700 4432 1 8 . 1 1 77 77 ALA CA C 77 51.813 51.813 51.228 0.585 25700 4433 1 8 . 1 1 77 77 ALA CB C 77 24.137 24.137 23.175 0.962 25700 4434 1 8 . 1 1 77 77 ALA H H 77 8.584 8.584 8.389 0.195 25700 4435 1 8 . 1 1 78 78 ARG N N 78 122.822 122.822 121.317 1.505 25700 4436 1 8 . 1 1 78 78 ARG HA H 78 4.938 4.938 5.325 -0.387 25700 4437 1 8 . 1 1 78 78 ARG C C 78 173.170 173.170 173.661 -0.491 25700 4438 1 8 . 1 1 78 78 ARG CA C 78 54.890 54.890 55.612 -0.722 25700 4439 1 8 . 1 1 78 78 ARG CB C 78 34.467 34.467 34.107 0.360 25700 4440 1 8 . 1 1 78 78 ARG H H 78 8.807 8.807 9.122 -0.315 25700 4441 1 8 . 1 1 79 79 LEU N N 79 130.548 130.548 128.839 1.709 25700 4442 1 8 . 1 1 79 79 LEU HA H 79 5.440 5.440 5.345 0.095 25700 4443 1 8 . 1 1 79 79 LEU C C 79 173.434 173.434 174.332 -0.898 25700 4444 1 8 . 1 1 79 79 LEU CA C 79 53.186 53.186 53.280 -0.094 25700 4445 1 8 . 1 1 79 79 LEU CB C 79 45.369 45.369 45.753 -0.384 25700 4446 1 8 . 1 1 79 79 LEU H H 79 9.055 9.055 8.596 0.459 25700 4447 1 8 . 1 1 80 80 ASP N N 80 125.928 125.928 126.898 -0.970 25700 4448 1 8 . 1 1 80 80 ASP HA H 80 5.480 5.480 5.468 0.012 25700 4449 1 8 . 1 1 80 80 ASP C C 80 175.805 175.805 175.400 0.405 25700 4450 1 8 . 1 1 80 80 ASP CA C 80 53.794 53.794 52.329 1.465 25700 4451 1 8 . 1 1 80 80 ASP CB C 80 44.119 44.119 42.851 1.268 25700 4452 1 8 . 1 1 80 80 ASP H H 80 9.251 9.251 9.246 0.005 25700 4453 1 8 . 1 1 81 81 VAL N N 81 123.295 123.295 127.677 -4.382 25700 4454 1 8 . 1 1 81 81 VAL HA H 81 4.843 4.843 4.469 0.374 25700 4455 1 8 . 1 1 81 81 VAL C C 81 174.136 174.136 174.557 -0.421 25700 4456 1 8 . 1 1 81 81 VAL CA C 81 61.438 61.438 61.818 -0.380 25700 4457 1 8 . 1 1 81 81 VAL CB C 81 35.299 35.299 31.931 3.368 25700 4458 1 8 . 1 1 81 81 VAL H H 81 8.947 8.947 8.900 0.047 25700 4459 1 8 . 1 1 82 82 SER N N 82 122.698 122.698 123.727 -1.029 25700 4460 1 8 . 1 1 82 82 SER HA H 82 5.380 5.380 5.316 0.064 25700 4461 1 8 . 1 1 82 82 SER C C 82 173.016 173.016 173.358 -0.342 25700 4462 1 8 . 1 1 82 82 SER CA C 82 57.195 57.195 56.520 0.675 25700 4463 1 8 . 1 1 82 82 SER CB C 82 64.477 64.477 64.528 -0.051 25700 4464 1 8 . 1 1 82 82 SER H H 82 9.026 9.026 8.681 0.345 25700 4465 1 8 . 1 1 83 83 PHE N N 83 127.305 127.305 128.046 -0.741 25700 4466 1 8 . 1 1 83 83 PHE HA H 83 4.781 4.781 4.938 -0.157 25700 4467 1 8 . 1 1 83 83 PHE C C 83 174.741 174.741 175.437 -0.696 25700 4468 1 8 . 1 1 83 83 PHE CA C 83 57.376 57.376 57.466 -0.090 25700 4469 1 8 . 1 1 83 83 PHE CB C 83 42.094 42.094 41.144 0.950 25700 4470 1 8 . 1 1 83 83 PHE H H 83 9.012 9.012 8.817 0.195 25700 4471 1 8 . 1 1 84 84 GLY N N 84 117.337 117.337 116.693 0.644 25700 4472 1 8 . 1 1 84 84 GLY C C 84 175.295 175.295 175.109 0.186 25700 4473 1 8 . 1 1 84 84 GLY CA C 84 47.086 47.086 46.574 0.512 25700 4474 1 8 . 1 1 84 84 GLY H H 84 8.784 8.784 8.538 0.246 25700 4475 1 8 . 1 1 85 85 SER N N 85 120.553 120.553 119.625 0.928 25700 4476 1 8 . 1 1 85 85 SER HA H 85 4.383 4.383 4.470 -0.087 25700 4477 1 8 . 1 1 85 85 SER C C 85 173.796 173.796 174.755 -0.959 25700 4478 1 8 . 1 1 85 85 SER CA C 85 59.095 59.095 58.387 0.708 25700 4479 1 8 . 1 1 85 85 SER CB C 85 63.360 63.360 64.401 -1.041 25700 4480 1 8 . 1 1 85 85 SER H H 85 8.687 8.687 8.374 0.313 25700 4481 1 8 . 1 1 86 86 VAL N N 86 121.297 121.297 123.658 -2.361 25700 4482 1 8 . 1 1 86 86 VAL HA H 86 4.504 4.504 4.226 0.278 25700 4483 1 8 . 1 1 86 86 VAL C C 86 174.888 174.888 173.898 0.990 25700 4484 1 8 . 1 1 86 86 VAL CA C 86 61.610 61.610 62.328 -0.718 25700 4485 1 8 . 1 1 86 86 VAL CB C 86 34.210 34.210 33.453 0.757 25700 4486 1 8 . 1 1 86 86 VAL H H 86 7.963 7.963 7.601 0.362 25700 4487 1 8 . 1 1 87 87 THR N N 87 119.631 119.631 124.034 -4.403 25700 4488 1 8 . 1 1 87 87 THR HA H 87 5.551 5.551 5.459 0.092 25700 4489 1 8 . 1 1 87 87 THR C C 87 174.271 174.271 173.473 0.798 25700 4490 1 8 . 1 1 87 87 THR CA C 87 60.550 60.550 61.850 -1.300 25700 4491 1 8 . 1 1 87 87 THR CB C 87 71.350 71.350 69.846 1.504 25700 4492 1 8 . 1 1 87 87 THR H H 87 8.302 8.302 8.364 -0.062 25700 4493 1 8 . 1 1 88 88 ILE N N 88 118.811 118.811 121.930 -3.119 25700 4494 1 8 . 1 1 88 88 ILE HA H 88 4.858 4.858 4.857 0.001 25700 4495 1 8 . 1 1 88 88 ILE C C 88 174.300 174.300 173.272 1.028 25700 4496 1 8 . 1 1 88 88 ILE CA C 88 59.380 59.380 59.257 0.123 25700 4497 1 8 . 1 1 88 88 ILE CB C 88 43.170 43.170 42.505 0.665 25700 4498 1 8 . 1 1 88 88 ILE H H 88 8.986 8.986 8.752 0.234 25700 4499 1 8 . 1 1 89 89 GLN N N 89 120.806 120.806 118.589 2.217 25700 4500 1 8 . 1 1 89 89 GLN HA H 89 5.814 5.814 5.679 0.135 25700 4501 1 8 . 1 1 89 89 GLN C C 89 175.021 175.021 174.704 0.317 25700 4502 1 8 . 1 1 89 89 GLN CA C 89 54.171 54.171 54.530 -0.359 25700 4503 1 8 . 1 1 89 89 GLN CB C 89 34.262 34.262 32.812 1.450 25700 4504 1 8 . 1 1 89 89 GLN H H 89 8.481 8.481 8.351 0.130 25700 4505 1 8 . 1 1 90 90 CYS N N 90 118.531 118.531 117.287 1.244 25700 4506 1 8 . 1 1 90 90 CYS HA H 90 5.010 5.010 4.823 0.187 25700 4507 1 8 . 1 1 90 90 CYS C C 90 172.402 172.402 172.640 -0.238 25700 4508 1 8 . 1 1 90 90 CYS CA C 90 54.874 54.874 56.601 -1.727 25700 4509 1 8 . 1 1 90 90 CYS CB C 90 50.267 50.267 31.392 18.875 25700 4510 1 8 . 1 1 90 90 CYS H H 90 9.151 9.151 8.926 0.225 25700 4511 1 8 . 1 1 91 91 ASN N N 91 116.449 116.449 119.199 -2.750 25700 4512 1 8 . 1 1 91 91 ASN HA H 91 5.615 5.615 5.521 0.094 25700 4513 1 8 . 1 1 91 91 ASN C C 91 174.994 174.994 173.789 1.205 25700 4514 1 8 . 1 1 91 91 ASN CA C 91 52.484 52.484 52.793 -0.309 25700 4515 1 8 . 1 1 91 91 ASN CB C 91 43.331 43.331 42.236 1.095 25700 4516 1 8 . 1 1 91 91 ASN H H 91 8.791 8.791 8.395 0.396 25700 4517 1 8 . 1 1 92 92 LEU N N 92 123.391 123.391 125.326 -1.935 25700 4518 1 8 . 1 1 92 92 LEU HA H 92 4.286 4.286 4.535 -0.249 25700 4519 1 8 . 1 1 92 92 LEU C C 92 176.188 176.188 175.873 0.315 25700 4520 1 8 . 1 1 92 92 LEU CA C 92 54.863 54.863 54.995 -0.132 25700 4521 1 8 . 1 1 92 92 LEU CB C 92 45.064 45.064 43.485 1.579 25700 4522 1 8 . 1 1 92 92 LEU H H 92 8.597 8.597 8.826 -0.229 25700 4523 1 8 . 1 1 93 93 ASP N N 93 129.020 129.020 128.057 0.963 25700 4524 1 8 . 1 1 93 93 ASP HA H 93 5.160 5.160 4.947 0.213 25700 4525 1 8 . 1 1 93 93 ASP C C 93 175.761 175.761 175.692 0.069 25700 4526 1 8 . 1 1 93 93 ASP CA C 93 50.948 50.948 52.452 -1.504 25700 4527 1 8 . 1 1 93 93 ASP CB C 93 41.136 41.136 41.298 -0.162 25700 4528 1 8 . 1 1 93 93 ASP H H 93 9.146 9.146 8.606 0.540 25700 4529 1 8 . 1 1 94 94 PRO HA H 94 4.304 4.304 4.563 -0.259 25700 4530 1 8 . 1 1 94 94 PRO C C 94 178.637 178.637 177.937 0.700 25700 4531 1 8 . 1 1 94 94 PRO CA C 94 64.830 64.830 64.844 -0.014 25700 4532 1 8 . 1 1 94 94 PRO CB C 94 32.579 32.579 32.166 0.412 25700 4533 1 8 . 1 1 95 95 GLU N N 95 116.747 116.747 115.074 1.673 25700 4534 1 8 . 1 1 95 95 GLU HA H 95 4.223 4.223 4.209 0.014 25700 4535 1 8 . 1 1 95 95 GLU C C 95 177.994 177.994 177.908 0.086 25700 4536 1 8 . 1 1 95 95 GLU CA C 95 57.773 57.773 57.787 -0.014 25700 4537 1 8 . 1 1 95 95 GLU CB C 95 29.084 29.084 29.155 -0.071 25700 4538 1 8 . 1 1 95 95 GLU H H 95 8.358 8.358 8.677 -0.319 25700 4539 1 8 . 1 1 96 96 THR N N 96 109.182 109.182 109.345 -0.163 25700 4540 1 8 . 1 1 96 96 THR HA H 96 4.169 4.169 4.405 -0.236 25700 4541 1 8 . 1 1 96 96 THR C C 96 175.238 175.238 175.726 -0.488 25700 4542 1 8 . 1 1 96 96 THR CA C 96 63.038 63.038 63.405 -0.367 25700 4543 1 8 . 1 1 96 96 THR CB C 96 69.640 69.640 70.024 -0.384 25700 4544 1 8 . 1 1 96 96 THR H H 96 7.951 7.951 8.055 -0.104 25700 4545 1 8 . 1 1 97 97 VAL N N 97 121.118 121.118 120.516 0.602 25700 4546 1 8 . 1 1 97 97 VAL HA H 97 3.770 3.770 3.812 -0.042 25700 4547 1 8 . 1 1 97 97 VAL C C 97 174.851 174.851 176.246 -1.395 25700 4548 1 8 . 1 1 97 97 VAL CA C 97 63.272 63.272 64.501 -1.229 25700 4549 1 8 . 1 1 97 97 VAL CB C 97 30.627 30.627 31.354 -0.727 25700 4550 1 8 . 1 1 97 97 VAL H H 97 7.175 7.175 7.469 -0.294 25700 4551 1 8 . 1 1 98 98 LYS N N 98 123.245 123.245 121.110 2.135 25700 4552 1 8 . 1 1 98 98 LYS HA H 98 4.385 4.385 4.233 0.152 25700 4553 1 8 . 1 1 98 98 LYS C C 98 175.612 175.612 175.817 -0.205 25700 4554 1 8 . 1 1 98 98 LYS CA C 98 55.812 55.812 56.343 -0.531 25700 4555 1 8 . 1 1 98 98 LYS CB C 98 33.804 33.804 30.429 3.375 25700 4556 1 8 . 1 1 98 98 LYS H H 98 7.712 7.712 7.915 -0.203 25700 4557 1 8 . 1 1 99 99 LEU N N 99 122.457 122.457 117.788 4.669 25700 4558 1 8 . 1 1 99 99 LEU HA H 99 4.123 4.123 3.677 0.446 25700 4559 1 8 . 1 1 99 99 LEU C C 99 177.160 177.160 175.564 1.596 25700 4560 1 8 . 1 1 99 99 LEU CA C 99 55.309 55.309 55.233 0.075 25700 4561 1 8 . 1 1 99 99 LEU CB C 99 42.319 42.319 39.148 3.171 25700 4562 1 8 . 1 1 99 99 LEU H H 99 8.110 8.110 8.560 -0.450 25700 4563 1 8 . 1 1 100 100 GLU N N 100 120.800 120.800 119.417 1.383 25700 4564 1 8 . 1 1 100 100 GLU HA H 100 4.151 4.151 4.057 0.094 25700 4565 1 8 . 1 1 100 100 GLU C C 100 176.070 176.070 175.155 0.915 25700 4566 1 8 . 1 1 100 100 GLU CA C 100 56.740 56.740 56.298 0.442 25700 4567 1 8 . 1 1 100 100 GLU CB C 100 30.060 30.060 30.168 -0.108 25700 4568 1 8 . 1 1 100 100 GLU H H 100 8.340 8.340 7.909 0.431 25700 4569 1 9 . 1 1 2 2 VAL N N 2 123.080 123.080 126.651 -3.571 25700 4570 1 9 . 1 1 2 2 VAL HA H 2 4.678 4.678 4.313 0.365 25700 4571 1 9 . 1 1 2 2 VAL C C 2 171.871 171.871 175.340 -3.469 25700 4572 1 9 . 1 1 2 2 VAL CA C 2 59.500 59.500 61.086 -1.586 25700 4573 1 9 . 1 1 2 2 VAL CB C 2 34.185 34.185 32.900 1.285 25700 4574 1 9 . 1 1 2 2 VAL H H 2 8.041 8.041 8.562 -0.521 25700 4575 1 9 . 1 1 3 3 GLN N N 3 123.080 123.080 123.003 0.077 25700 4576 1 9 . 1 1 3 3 GLN HA H 3 4.660 4.660 4.752 -0.092 25700 4577 1 9 . 1 1 3 3 GLN CA C 3 54.109 54.109 52.843 1.266 25700 4578 1 9 . 1 1 3 3 GLN CB C 3 33.338 33.338 32.694 0.644 25700 4579 1 9 . 1 1 3 3 GLN H H 3 8.126 8.126 9.015 -0.889 25700 4580 1 9 . 1 1 4 4 CYS N N 4 115.260 115.260 117.006 -1.746 25700 4581 1 9 . 1 1 4 4 CYS HA H 4 5.676 5.676 5.162 0.514 25700 4582 1 9 . 1 1 4 4 CYS C C 4 171.720 171.720 173.307 -1.587 25700 4583 1 9 . 1 1 4 4 CYS CA C 4 53.402 53.402 57.073 -3.671 25700 4584 1 9 . 1 1 4 4 CYS CB C 4 45.525 45.525 30.968 14.557 25700 4585 1 9 . 1 1 4 4 CYS H H 4 8.909 8.909 8.494 0.415 25700 4586 1 9 . 1 1 5 5 GLU N N 5 117.764 117.764 120.493 -2.729 25700 4587 1 9 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.718 -0.239 25700 4588 1 9 . 1 1 5 5 GLU C C 5 174.088 174.088 173.995 0.093 25700 4589 1 9 . 1 1 5 5 GLU CA C 5 54.838 54.838 54.888 -0.049 25700 4590 1 9 . 1 1 5 5 GLU CB C 5 34.155 34.155 34.109 0.046 25700 4591 1 9 . 1 1 5 5 GLU H H 5 8.580 8.580 8.529 0.051 25700 4592 1 9 . 1 1 6 6 VAL N N 6 120.471 120.471 116.294 4.177 25700 4593 1 9 . 1 1 6 6 VAL HA H 6 4.427 4.427 4.377 0.050 25700 4594 1 9 . 1 1 6 6 VAL C C 6 174.211 174.211 174.957 -0.746 25700 4595 1 9 . 1 1 6 6 VAL CA C 6 61.540 61.540 60.868 0.672 25700 4596 1 9 . 1 1 6 6 VAL CB C 6 32.618 32.618 33.750 -1.132 25700 4597 1 9 . 1 1 6 6 VAL H H 6 8.588 8.588 8.131 0.457 25700 4598 1 9 . 1 1 7 7 GLU N N 7 125.816 125.816 126.405 -0.589 25700 4599 1 9 . 1 1 7 7 GLU HA H 7 4.548 4.548 4.906 -0.358 25700 4600 1 9 . 1 1 7 7 GLU C C 7 174.194 174.194 175.211 -1.017 25700 4601 1 9 . 1 1 7 7 GLU CA C 7 54.524 54.524 53.761 0.763 25700 4602 1 9 . 1 1 7 7 GLU CB C 7 33.291 33.291 33.775 -0.484 25700 4603 1 9 . 1 1 7 7 GLU H H 7 8.820 8.820 8.892 -0.072 25700 4604 1 9 . 1 1 8 8 ALA N N 8 122.882 122.882 123.014 -0.132 25700 4605 1 9 . 1 1 8 8 ALA HA H 8 5.238 5.238 4.685 0.553 25700 4606 1 9 . 1 1 8 8 ALA C C 8 175.557 175.557 175.398 0.159 25700 4607 1 9 . 1 1 8 8 ALA CA C 8 49.950 49.950 51.176 -1.226 25700 4608 1 9 . 1 1 8 8 ALA CB C 8 22.730 22.730 21.445 1.285 25700 4609 1 9 . 1 1 8 8 ALA H H 8 8.410 8.410 8.224 0.186 25700 4610 1 9 . 1 1 9 9 ALA N N 9 124.110 124.110 127.793 -3.683 25700 4611 1 9 . 1 1 9 9 ALA HA H 9 4.691 4.691 5.143 -0.452 25700 4612 1 9 . 1 1 9 9 ALA C C 9 176.300 176.300 176.136 0.164 25700 4613 1 9 . 1 1 9 9 ALA CA C 9 50.825 50.825 50.079 0.746 25700 4614 1 9 . 1 1 9 9 ALA CB C 9 21.240 21.240 20.587 0.653 25700 4615 1 9 . 1 1 9 9 ALA H H 9 8.407 8.407 9.194 -0.787 25700 4616 1 9 . 1 1 10 10 VAL N N 10 126.780 126.780 124.549 2.231 25700 4617 1 9 . 1 1 10 10 VAL HA H 10 4.379 4.379 3.904 0.475 25700 4618 1 9 . 1 1 10 10 VAL C C 10 175.717 175.717 175.399 0.318 25700 4619 1 9 . 1 1 10 10 VAL CA C 10 61.580 61.580 62.584 -1.004 25700 4620 1 9 . 1 1 10 10 VAL CB C 10 32.209 32.209 31.706 0.503 25700 4621 1 9 . 1 1 10 10 VAL H H 10 8.860 8.860 8.724 0.136 25700 4622 1 9 . 1 1 11 11 SER N N 11 120.868 120.868 121.253 -0.385 25700 4623 1 9 . 1 1 11 11 SER HA H 11 4.448 4.448 4.655 -0.207 25700 4624 1 9 . 1 1 11 11 SER C C 11 175.498 175.498 174.490 1.008 25700 4625 1 9 . 1 1 11 11 SER CA C 11 57.590 57.590 55.887 1.703 25700 4626 1 9 . 1 1 11 11 SER CB C 11 64.000 64.000 65.098 -1.098 25700 4627 1 9 . 1 1 11 11 SER H H 11 8.478 8.478 8.756 -0.278 25700 4628 1 9 . 1 1 12 12 GLY N N 12 116.896 116.896 108.648 8.248 25700 4629 1 9 . 1 1 12 12 GLY C C 12 174.994 174.994 174.743 0.251 25700 4630 1 9 . 1 1 12 12 GLY CA C 12 47.515 47.515 46.032 1.483 25700 4631 1 9 . 1 1 12 12 GLY H H 12 9.120 9.120 8.683 0.437 25700 4632 1 9 . 1 1 13 13 GLY N N 13 108.984 108.984 114.316 -5.332 25700 4633 1 9 . 1 1 13 13 GLY C C 13 174.440 174.440 173.488 0.952 25700 4634 1 9 . 1 1 13 13 GLY CA C 13 45.383 45.383 45.051 0.332 25700 4635 1 9 . 1 1 13 13 GLY H H 13 8.816 8.816 8.516 0.300 25700 4636 1 9 . 1 1 14 14 HIS N N 14 118.737 118.737 118.445 0.292 25700 4637 1 9 . 1 1 14 14 HIS HA H 14 5.458 5.458 5.350 0.108 25700 4638 1 9 . 1 1 14 14 HIS C C 14 172.243 172.243 173.180 -0.937 25700 4639 1 9 . 1 1 14 14 HIS CA C 14 54.905 54.905 55.360 -0.455 25700 4640 1 9 . 1 1 14 14 HIS CB C 14 32.311 32.311 33.580 -1.269 25700 4641 1 9 . 1 1 14 14 HIS H H 14 8.084 8.084 7.631 0.453 25700 4642 1 9 . 1 1 15 15 VAL N N 15 120.204 120.204 125.196 -4.992 25700 4643 1 9 . 1 1 15 15 VAL HA H 15 4.932 4.932 4.561 0.371 25700 4644 1 9 . 1 1 15 15 VAL C C 15 172.314 172.314 174.369 -2.055 25700 4645 1 9 . 1 1 15 15 VAL CA C 15 58.540 58.540 59.563 -1.023 25700 4646 1 9 . 1 1 15 15 VAL CB C 15 34.285 34.285 33.821 0.464 25700 4647 1 9 . 1 1 15 15 VAL H H 15 9.369 9.369 9.023 0.346 25700 4648 1 9 . 1 1 16 16 THR N N 16 123.685 123.685 126.713 -3.028 25700 4649 1 9 . 1 1 16 16 THR HA H 16 5.220 5.220 4.881 0.339 25700 4650 1 9 . 1 1 16 16 THR C C 16 174.478 174.478 173.125 1.353 25700 4651 1 9 . 1 1 16 16 THR CA C 16 61.481 61.481 62.991 -1.510 25700 4652 1 9 . 1 1 16 16 THR CB C 16 70.017 70.017 69.210 0.807 25700 4653 1 9 . 1 1 16 16 THR H H 16 8.604 8.604 9.201 -0.597 25700 4654 1 9 . 1 1 17 17 LEU N N 17 128.958 128.958 128.927 0.031 25700 4655 1 9 . 1 1 17 17 LEU HA H 17 5.407 5.407 4.639 0.768 25700 4656 1 9 . 1 1 17 17 LEU C C 17 174.481 174.481 174.273 0.208 25700 4657 1 9 . 1 1 17 17 LEU CA C 17 53.999 53.999 54.066 -0.067 25700 4658 1 9 . 1 1 17 17 LEU CB C 17 44.108 44.108 44.993 -0.885 25700 4659 1 9 . 1 1 17 17 LEU H H 17 9.627 9.627 9.230 0.397 25700 4660 1 9 . 1 1 18 18 GLN N N 18 115.227 115.227 120.718 -5.491 25700 4661 1 9 . 1 1 18 18 GLN HA H 18 4.465 4.465 5.179 -0.714 25700 4662 1 9 . 1 1 18 18 GLN C C 18 174.042 174.042 174.411 -0.369 25700 4663 1 9 . 1 1 18 18 GLN CA C 18 53.725 53.725 54.302 -0.577 25700 4664 1 9 . 1 1 18 18 GLN CB C 18 31.767 31.767 34.378 -2.611 25700 4665 1 9 . 1 1 18 18 GLN H H 18 8.243 8.243 8.309 -0.066 25700 4666 1 9 . 1 1 19 19 GLY N N 19 107.795 107.795 107.523 0.272 25700 4667 1 9 . 1 1 19 19 GLY C C 19 172.005 172.005 172.793 -0.788 25700 4668 1 9 . 1 1 19 19 GLY CA C 19 44.485 44.485 43.983 0.502 25700 4669 1 9 . 1 1 19 19 GLY H H 19 9.100 9.100 8.837 0.263 25700 4670 1 9 . 1 1 20 20 VAL N N 20 120.951 120.951 127.737 -6.786 25700 4671 1 9 . 1 1 20 20 VAL HA H 20 4.634 4.634 4.097 0.537 25700 4672 1 9 . 1 1 20 20 VAL C C 20 175.670 175.670 175.138 0.532 25700 4673 1 9 . 1 1 20 20 VAL CA C 20 61.380 61.380 62.627 -1.247 25700 4674 1 9 . 1 1 20 20 VAL CB C 20 33.990 33.990 32.576 1.414 25700 4675 1 9 . 1 1 20 20 VAL H H 20 8.859 8.859 9.327 -0.468 25700 4676 1 9 . 1 1 21 21 ILE N N 21 129.511 129.511 130.788 -1.277 25700 4677 1 9 . 1 1 21 21 ILE HA H 21 4.443 4.443 4.485 -0.042 25700 4678 1 9 . 1 1 21 21 ILE C C 21 174.567 174.567 175.481 -0.914 25700 4679 1 9 . 1 1 21 21 ILE CA C 21 59.883 59.883 60.132 -0.249 25700 4680 1 9 . 1 1 21 21 ILE CB C 21 41.152 41.152 39.346 1.806 25700 4681 1 9 . 1 1 21 21 ILE H H 21 9.304 9.304 9.242 0.062 25700 4682 1 9 . 1 1 22 22 THR N N 22 120.311 120.311 126.071 -5.760 25700 4683 1 9 . 1 1 22 22 THR HA H 22 4.479 4.479 4.912 -0.433 25700 4684 1 9 . 1 1 22 22 THR C C 22 172.996 172.996 173.454 -0.458 25700 4685 1 9 . 1 1 22 22 THR CA C 22 61.647 61.647 62.598 -0.951 25700 4686 1 9 . 1 1 22 22 THR CB C 22 70.230 70.230 69.364 0.866 25700 4687 1 9 . 1 1 22 22 THR H H 22 8.063 8.063 8.649 -0.586 25700 4688 1 9 . 1 1 23 23 ALA N N 23 104.959 104.959 130.281 -25.322 25700 4689 1 9 . 1 1 23 23 ALA HA H 23 5.056 5.056 4.924 0.132 25700 4690 1 9 . 1 1 23 23 ALA C C 23 177.722 177.722 177.428 0.294 25700 4691 1 9 . 1 1 23 23 ALA CA C 23 49.963 49.963 49.911 0.052 25700 4692 1 9 . 1 1 23 23 ALA CB C 23 22.915 22.915 20.958 1.957 25700 4693 1 9 . 1 1 23 23 ALA H H 23 9.764 9.764 8.378 1.386 25700 4694 1 9 . 1 1 24 24 VAL N N 24 113.370 113.370 122.887 -9.517 25700 4695 1 9 . 1 1 24 24 VAL HA H 24 4.083 4.083 3.892 0.191 25700 4696 1 9 . 1 1 24 24 VAL C C 24 174.539 174.539 175.140 -0.601 25700 4697 1 9 . 1 1 24 24 VAL CA C 24 62.339 62.339 64.504 -2.165 25700 4698 1 9 . 1 1 24 24 VAL CB C 24 31.933 31.933 31.890 0.044 25700 4699 1 9 . 1 1 24 24 VAL H H 24 8.239 8.239 8.407 -0.168 25700 4700 1 9 . 1 1 25 25 ARG N N 25 116.002 116.002 118.048 -2.046 25700 4701 1 9 . 1 1 25 25 ARG HA H 25 4.740 4.740 4.545 0.195 25700 4702 1 9 . 1 1 25 25 ARG C C 25 172.797 172.797 174.565 -1.768 25700 4703 1 9 . 1 1 25 25 ARG CA C 25 53.284 53.284 53.967 -0.682 25700 4704 1 9 . 1 1 25 25 ARG CB C 25 33.542 33.542 32.588 0.954 25700 4705 1 9 . 1 1 25 25 ARG H H 25 7.308 7.308 7.743 -0.435 25700 4706 1 9 . 1 1 26 26 ASP N N 26 118.075 118.075 121.404 -3.329 25700 4707 1 9 . 1 1 26 26 ASP HA H 26 4.665 4.665 5.032 -0.367 25700 4708 1 9 . 1 1 26 26 ASP C C 26 177.721 177.721 176.123 1.598 25700 4709 1 9 . 1 1 26 26 ASP CA C 26 53.911 53.911 53.753 0.158 25700 4710 1 9 . 1 1 26 26 ASP CB C 26 41.143 41.143 41.649 -0.506 25700 4711 1 9 . 1 1 26 26 ASP H H 26 8.301 8.301 8.288 0.013 25700 4712 1 9 . 1 1 27 27 GLY N N 27 106.966 106.966 108.787 -1.821 25700 4713 1 9 . 1 1 27 27 GLY C C 27 170.472 170.472 172.116 -1.644 25700 4714 1 9 . 1 1 27 27 GLY CA C 27 46.213 46.213 44.958 1.255 25700 4715 1 9 . 1 1 27 27 GLY H H 27 8.276 8.276 8.420 -0.144 25700 4716 1 9 . 1 1 28 28 ALA N N 28 122.805 122.805 123.300 -0.495 25700 4717 1 9 . 1 1 28 28 ALA HA H 28 4.898 4.898 5.019 -0.121 25700 4718 1 9 . 1 1 28 28 ALA C C 28 176.720 176.720 175.569 1.151 25700 4719 1 9 . 1 1 28 28 ALA CA C 28 50.756 50.756 50.790 -0.034 25700 4720 1 9 . 1 1 28 28 ALA CB C 28 21.482 21.482 21.898 -0.416 25700 4721 1 9 . 1 1 28 28 ALA H H 28 8.065 8.065 8.144 -0.079 25700 4722 1 9 . 1 1 29 29 GLY N N 29 106.538 106.538 106.468 0.070 25700 4723 1 9 . 1 1 29 29 GLY C C 29 172.866 172.866 170.919 1.947 25700 4724 1 9 . 1 1 29 29 GLY CA C 29 45.538 45.538 43.630 1.907 25700 4725 1 9 . 1 1 29 29 GLY H H 29 7.654 7.654 8.621 -0.967 25700 4726 1 9 . 1 1 30 30 SER N N 30 116.216 116.216 113.890 2.326 25700 4727 1 9 . 1 1 30 30 SER HA H 30 5.564 5.564 4.617 0.947 25700 4728 1 9 . 1 1 30 30 SER C C 30 172.216 172.216 172.506 -0.290 25700 4729 1 9 . 1 1 30 30 SER CA C 30 57.505 57.505 56.661 0.844 25700 4730 1 9 . 1 1 30 30 SER CB C 30 66.321 66.321 65.585 0.735 25700 4731 1 9 . 1 1 30 30 SER H H 30 9.185 9.185 7.599 1.586 25700 4732 1 9 . 1 1 31 31 TYR N N 31 118.467 118.467 117.011 1.456 25700 4733 1 9 . 1 1 31 31 TYR HA H 31 6.035 6.035 5.046 0.989 25700 4734 1 9 . 1 1 31 31 TYR C C 31 174.138 174.138 173.931 0.207 25700 4735 1 9 . 1 1 31 31 TYR CA C 31 55.806 55.806 56.355 -0.548 25700 4736 1 9 . 1 1 31 31 TYR CB C 31 43.091 43.091 41.390 1.701 25700 4737 1 9 . 1 1 31 31 TYR H H 31 9.215 9.215 8.770 0.445 25700 4738 1 9 . 1 1 32 32 LYS N N 32 121.086 121.086 120.790 0.296 25700 4739 1 9 . 1 1 32 32 LYS HA H 32 4.772 4.772 4.782 -0.010 25700 4740 1 9 . 1 1 32 32 LYS C C 32 173.750 173.750 174.382 -0.632 25700 4741 1 9 . 1 1 32 32 LYS CA C 32 56.495 56.495 55.073 1.422 25700 4742 1 9 . 1 1 32 32 LYS CB C 32 35.800 35.800 34.202 1.598 25700 4743 1 9 . 1 1 32 32 LYS H H 32 8.904 8.904 9.378 -0.474 25700 4744 1 9 . 1 1 33 33 LEU N N 33 128.296 128.296 127.502 0.794 25700 4745 1 9 . 1 1 33 33 LEU HA H 33 5.329 5.329 5.046 0.283 25700 4746 1 9 . 1 1 33 33 LEU C C 33 173.389 173.389 174.240 -0.851 25700 4747 1 9 . 1 1 33 33 LEU CA C 33 53.547 53.547 53.120 0.427 25700 4748 1 9 . 1 1 33 33 LEU CB C 33 45.460 45.460 44.300 1.160 25700 4749 1 9 . 1 1 33 33 LEU H H 33 9.663 9.663 8.406 1.256 25700 4750 1 9 . 1 1 34 34 ALA N N 34 129.791 129.791 130.262 -0.471 25700 4751 1 9 . 1 1 34 34 ALA HA H 34 5.419 5.419 4.976 0.443 25700 4752 1 9 . 1 1 34 34 ALA C C 34 176.313 176.313 175.098 1.215 25700 4753 1 9 . 1 1 34 34 ALA CA C 34 50.605 50.605 50.114 0.491 25700 4754 1 9 . 1 1 34 34 ALA CB C 34 21.237 21.237 22.670 -1.433 25700 4755 1 9 . 1 1 34 34 ALA H H 34 9.044 9.044 9.342 -0.298 25700 4756 1 9 . 1 1 35 35 VAL N N 35 124.532 124.532 121.596 2.936 25700 4757 1 9 . 1 1 35 35 VAL HA H 35 4.844 4.844 4.593 0.251 25700 4758 1 9 . 1 1 35 35 VAL C C 35 173.511 173.511 174.158 -0.647 25700 4759 1 9 . 1 1 35 35 VAL CA C 35 61.113 61.113 60.961 0.152 25700 4760 1 9 . 1 1 35 35 VAL CB C 35 35.152 35.152 34.962 0.190 25700 4761 1 9 . 1 1 35 35 VAL H H 35 9.332 9.332 9.053 0.279 25700 4762 1 9 . 1 1 36 36 ASP N N 36 127.077 127.077 127.373 -0.296 25700 4763 1 9 . 1 1 36 36 ASP HA H 36 5.560 5.560 5.114 0.446 25700 4764 1 9 . 1 1 36 36 ASP C C 36 174.146 174.146 174.326 -0.180 25700 4765 1 9 . 1 1 36 36 ASP CA C 36 53.219 53.219 53.103 0.116 25700 4766 1 9 . 1 1 36 36 ASP CB C 36 44.387 44.387 43.186 1.201 25700 4767 1 9 . 1 1 36 36 ASP H H 36 9.169 9.169 9.170 -0.001 25700 4768 1 9 . 1 1 37 37 LYS N N 37 122.568 122.568 127.399 -4.831 25700 4769 1 9 . 1 1 37 37 LYS HA H 37 4.673 4.673 5.595 -0.922 25700 4770 1 9 . 1 1 37 37 LYS C C 37 173.710 173.710 174.350 -0.640 25700 4771 1 9 . 1 1 37 37 LYS CA C 37 54.410 54.410 54.427 -0.017 25700 4772 1 9 . 1 1 37 37 LYS CB C 37 34.907 34.907 36.231 -1.324 25700 4773 1 9 . 1 1 37 37 LYS H H 37 8.665 8.665 9.055 -0.390 25700 4774 1 9 . 1 1 38 38 ALA N N 38 130.221 130.221 128.578 1.643 25700 4775 1 9 . 1 1 38 38 ALA HA H 38 4.983 4.983 5.192 -0.209 25700 4776 1 9 . 1 1 38 38 ALA C C 38 176.141 176.141 175.212 0.929 25700 4777 1 9 . 1 1 38 38 ALA CA C 38 51.093 51.093 51.415 -0.322 25700 4778 1 9 . 1 1 38 38 ALA CB C 38 21.778 21.778 21.639 0.139 25700 4779 1 9 . 1 1 38 38 ALA H H 38 8.798 8.798 9.037 -0.239 25700 4780 1 9 . 1 1 39 39 GLY N N 39 109.328 109.328 109.476 -0.148 25700 4781 1 9 . 1 1 39 39 GLY C C 39 174.208 174.208 174.126 0.082 25700 4782 1 9 . 1 1 39 39 GLY CA C 39 44.645 44.645 44.270 0.375 25700 4783 1 9 . 1 1 39 39 GLY H H 39 7.851 7.851 8.558 -0.707 25700 4784 1 9 . 1 1 40 40 ALA N N 40 125.088 125.088 122.856 2.232 25700 4785 1 9 . 1 1 40 40 ALA HA H 40 4.051 4.051 4.115 -0.064 25700 4786 1 9 . 1 1 40 40 ALA C C 40 178.917 178.917 178.279 0.638 25700 4787 1 9 . 1 1 40 40 ALA CA C 40 54.841 54.841 54.946 -0.105 25700 4788 1 9 . 1 1 40 40 ALA CB C 40 18.293 18.293 18.194 0.099 25700 4789 1 9 . 1 1 40 40 ALA H H 40 8.766 8.766 8.574 0.192 25700 4790 1 9 . 1 1 41 41 ALA N N 41 117.569 117.569 119.038 -1.469 25700 4791 1 9 . 1 1 41 41 ALA HA H 41 4.419 4.419 4.333 0.086 25700 4792 1 9 . 1 1 41 41 ALA C C 41 177.136 177.136 177.762 -0.626 25700 4793 1 9 . 1 1 41 41 ALA CA C 41 51.929 51.929 51.390 0.539 25700 4794 1 9 . 1 1 41 41 ALA CB C 41 18.774 18.774 18.676 0.098 25700 4795 1 9 . 1 1 41 41 ALA H H 41 8.300 8.300 8.102 0.198 25700 4796 1 9 . 1 1 42 42 GLY N N 42 106.796 106.796 106.742 0.054 25700 4797 1 9 . 1 1 42 42 GLY C C 42 173.379 173.379 172.444 0.935 25700 4798 1 9 . 1 1 42 42 GLY CA C 42 44.336 44.336 44.325 0.011 25700 4799 1 9 . 1 1 42 42 GLY H H 42 7.577 7.577 7.544 0.033 25700 4800 1 9 . 1 1 43 43 THR N N 43 116.541 116.541 113.562 2.979 25700 4801 1 9 . 1 1 43 43 THR HA H 43 5.263 5.263 5.016 0.247 25700 4802 1 9 . 1 1 43 43 THR C C 43 174.244 174.244 174.068 0.176 25700 4803 1 9 . 1 1 43 43 THR CA C 43 61.137 61.137 61.138 -0.001 25700 4804 1 9 . 1 1 43 43 THR CB C 43 70.759 70.759 70.525 0.234 25700 4805 1 9 . 1 1 43 43 THR H H 43 8.526 8.526 8.253 0.273 25700 4806 1 9 . 1 1 44 44 SER N N 44 120.903 120.903 120.684 0.219 25700 4807 1 9 . 1 1 44 44 SER HA H 44 4.759 4.759 4.736 0.023 25700 4808 1 9 . 1 1 44 44 SER C C 44 172.241 172.241 173.118 -0.877 25700 4809 1 9 . 1 1 44 44 SER CA C 44 57.340 57.340 57.705 -0.364 25700 4810 1 9 . 1 1 44 44 SER CB C 44 65.568 65.568 66.133 -0.565 25700 4811 1 9 . 1 1 44 44 SER H H 44 8.904 8.904 9.222 -0.318 25700 4812 1 9 . 1 1 45 45 ARG N N 45 124.546 124.546 124.529 0.017 25700 4813 1 9 . 1 1 45 45 ARG HA H 45 5.489 5.489 4.744 0.745 25700 4814 1 9 . 1 1 45 45 ARG C C 45 175.520 175.520 175.589 -0.069 25700 4815 1 9 . 1 1 45 45 ARG CA C 45 55.101 55.101 54.927 0.174 25700 4816 1 9 . 1 1 45 45 ARG CB C 45 32.760 32.760 30.987 1.773 25700 4817 1 9 . 1 1 45 45 ARG H H 45 8.579 8.579 8.651 -0.072 25700 4818 1 9 . 1 1 46 46 ILE N N 46 127.920 127.920 126.878 1.042 25700 4819 1 9 . 1 1 46 46 ILE HA H 46 4.460 4.460 4.401 0.059 25700 4820 1 9 . 1 1 46 46 ILE C C 46 174.450 174.450 174.409 0.041 25700 4821 1 9 . 1 1 46 46 ILE CA C 46 60.220 60.220 60.379 -0.159 25700 4822 1 9 . 1 1 46 46 ILE CB C 46 41.290 41.290 40.885 0.405 25700 4823 1 9 . 1 1 46 46 ILE H H 46 9.344 9.344 9.159 0.185 25700 4824 1 9 . 1 1 47 47 LYS N N 47 126.061 126.061 127.149 -1.088 25700 4825 1 9 . 1 1 47 47 LYS HA H 47 5.514 5.514 4.797 0.717 25700 4826 1 9 . 1 1 47 47 LYS C C 47 175.790 175.790 175.159 0.631 25700 4827 1 9 . 1 1 47 47 LYS CA C 47 54.870 54.870 55.847 -0.978 25700 4828 1 9 . 1 1 47 47 LYS CB C 47 35.386 35.386 35.364 0.022 25700 4829 1 9 . 1 1 47 47 LYS H H 47 8.734 8.734 8.575 0.159 25700 4830 1 9 . 1 1 48 48 GLN N N 48 122.633 122.633 126.125 -3.492 25700 4831 1 9 . 1 1 48 48 GLN HA H 48 4.669 4.669 4.642 0.027 25700 4832 1 9 . 1 1 48 48 GLN C C 48 173.659 173.659 173.845 -0.186 25700 4833 1 9 . 1 1 48 48 GLN CA C 48 54.895 54.895 55.093 -0.198 25700 4834 1 9 . 1 1 48 48 GLN CB C 48 33.072 33.072 32.527 0.545 25700 4835 1 9 . 1 1 48 48 GLN H H 48 9.228 9.228 8.995 0.233 25700 4836 1 9 . 1 1 49 49 ALA N N 49 125.634 125.634 126.196 -0.562 25700 4837 1 9 . 1 1 49 49 ALA HA H 49 4.544 4.544 5.038 -0.494 25700 4838 1 9 . 1 1 49 49 ALA C C 49 175.881 175.881 176.376 -0.495 25700 4839 1 9 . 1 1 49 49 ALA CA C 49 50.993 50.993 51.127 -0.134 25700 4840 1 9 . 1 1 49 49 ALA CB C 49 22.620 22.620 21.183 1.437 25700 4841 1 9 . 1 1 49 49 ALA H H 49 8.557 8.557 8.487 0.070 25700 4842 1 9 . 1 1 50 50 GLY N N 50 105.483 105.483 108.881 -3.398 25700 4843 1 9 . 1 1 50 50 GLY C C 50 170.217 170.217 171.572 -1.355 25700 4844 1 9 . 1 1 50 50 GLY CA C 50 45.670 45.670 46.120 -0.450 25700 4845 1 9 . 1 1 50 50 GLY H H 50 6.865 6.865 8.266 -1.401 25700 4846 1 9 . 1 1 51 51 ALA N N 51 122.908 122.908 121.818 1.090 25700 4847 1 9 . 1 1 51 51 ALA HA H 51 5.265 5.265 4.889 0.376 25700 4848 1 9 . 1 1 51 51 ALA C C 51 176.793 176.793 175.223 1.570 25700 4849 1 9 . 1 1 51 51 ALA CA C 51 50.736 50.736 50.665 0.071 25700 4850 1 9 . 1 1 51 51 ALA CB C 51 21.840 21.840 21.683 0.157 25700 4851 1 9 . 1 1 51 51 ALA H H 51 8.522 8.522 8.117 0.405 25700 4852 1 9 . 1 1 52 52 PHE N N 52 115.156 115.156 120.488 -5.332 25700 4853 1 9 . 1 1 52 52 PHE HA H 52 5.106 5.106 4.943 0.163 25700 4854 1 9 . 1 1 52 52 PHE C C 52 172.832 172.832 173.670 -0.838 25700 4855 1 9 . 1 1 52 52 PHE CA C 52 56.890 56.890 56.971 -0.081 25700 4856 1 9 . 1 1 52 52 PHE CB C 52 42.428 42.428 43.073 -0.645 25700 4857 1 9 . 1 1 52 52 PHE H H 52 8.191 8.191 8.859 -0.668 25700 4858 1 9 . 1 1 53 53 THR N N 53 116.180 116.180 114.200 1.980 25700 4859 1 9 . 1 1 53 53 THR HA H 53 4.631 4.631 4.625 0.006 25700 4860 1 9 . 1 1 53 53 THR C C 53 172.769 172.769 172.952 -0.183 25700 4861 1 9 . 1 1 53 53 THR CA C 53 61.610 61.610 60.648 0.962 25700 4862 1 9 . 1 1 53 53 THR CB C 53 70.736 70.736 68.842 1.894 25700 4863 1 9 . 1 1 53 53 THR H H 53 8.650 8.650 6.712 1.938 25700 4864 1 9 . 1 1 54 54 ALA N N 54 127.969 127.969 129.419 -1.450 25700 4865 1 9 . 1 1 54 54 ALA HA H 54 4.748 4.748 4.738 0.010 25700 4866 1 9 . 1 1 54 54 ALA C C 54 176.369 176.369 175.457 0.912 25700 4867 1 9 . 1 1 54 54 ALA CA C 54 51.397 51.397 50.286 1.111 25700 4868 1 9 . 1 1 54 54 ALA CB C 54 22.010 22.010 21.773 0.237 25700 4869 1 9 . 1 1 54 54 ALA H H 54 9.353 9.353 8.566 0.787 25700 4870 1 9 . 1 1 55 55 ILE N N 55 123.326 123.326 121.961 1.365 25700 4871 1 9 . 1 1 55 55 ILE HA H 55 4.391 4.391 4.116 0.275 25700 4872 1 9 . 1 1 55 55 ILE C C 55 176.079 176.079 175.835 0.244 25700 4873 1 9 . 1 1 55 55 ILE CA C 55 59.138 59.138 60.516 -1.378 25700 4874 1 9 . 1 1 55 55 ILE CB C 55 39.451 39.451 39.844 -0.393 25700 4875 1 9 . 1 1 55 55 ILE H H 55 7.856 7.856 8.715 -0.859 25700 4876 1 9 . 1 1 56 56 ALA N N 56 130.280 130.280 128.367 1.913 25700 4877 1 9 . 1 1 56 56 ALA HA H 56 3.493 3.493 4.366 -0.873 25700 4878 1 9 . 1 1 56 56 ALA C C 56 177.405 177.405 177.616 -0.211 25700 4879 1 9 . 1 1 56 56 ALA CA C 56 54.156 54.156 52.326 1.830 25700 4880 1 9 . 1 1 56 56 ALA CB C 56 18.871 18.871 18.581 0.290 25700 4881 1 9 . 1 1 56 56 ALA H H 56 9.104 9.104 8.428 0.676 25700 4882 1 9 . 1 1 57 57 GLU N N 57 113.081 113.081 120.021 -6.940 25700 4883 1 9 . 1 1 57 57 GLU HA H 57 3.614 3.614 3.774 -0.160 25700 4884 1 9 . 1 1 57 57 GLU C C 57 174.959 174.959 175.582 -0.623 25700 4885 1 9 . 1 1 57 57 GLU CA C 57 58.080 58.080 57.354 0.726 25700 4886 1 9 . 1 1 57 57 GLU CB C 57 27.141 27.141 28.432 -1.291 25700 4887 1 9 . 1 1 57 57 GLU H H 57 9.007 9.007 8.972 0.035 25700 4888 1 9 . 1 1 58 58 GLN N N 58 119.796 119.796 117.870 1.926 25700 4889 1 9 . 1 1 58 58 GLN HA H 58 4.519 4.519 4.673 -0.154 25700 4890 1 9 . 1 1 58 58 GLN C C 58 175.217 175.217 174.664 0.553 25700 4891 1 9 . 1 1 58 58 GLN CA C 58 54.379 54.379 53.948 0.431 25700 4892 1 9 . 1 1 58 58 GLN CB C 58 30.102 30.102 31.085 -0.983 25700 4893 1 9 . 1 1 58 58 GLN H H 58 8.061 8.061 7.637 0.424 25700 4894 1 9 . 1 1 59 59 ARG N N 59 124.810 124.810 123.439 1.371 25700 4895 1 9 . 1 1 59 59 ARG HA H 59 4.286 4.286 4.419 -0.133 25700 4896 1 9 . 1 1 59 59 ARG C C 59 176.396 176.396 175.924 0.472 25700 4897 1 9 . 1 1 59 59 ARG CA C 59 56.810 56.810 55.935 0.875 25700 4898 1 9 . 1 1 59 59 ARG CB C 59 30.906 30.906 30.668 0.238 25700 4899 1 9 . 1 1 59 59 ARG H H 59 8.486 8.486 8.699 -0.213 25700 4900 1 9 . 1 1 60 60 VAL N N 60 127.238 127.238 127.995 -0.757 25700 4901 1 9 . 1 1 60 60 VAL HA H 60 4.319 4.319 4.379 -0.060 25700 4902 1 9 . 1 1 60 60 VAL C C 60 174.543 174.543 174.842 -0.299 25700 4903 1 9 . 1 1 60 60 VAL CA C 60 61.227 61.227 61.112 0.115 25700 4904 1 9 . 1 1 60 60 VAL CB C 60 34.177 34.177 33.990 0.187 25700 4905 1 9 . 1 1 60 60 VAL H H 60 9.033 9.033 9.134 -0.101 25700 4906 1 9 . 1 1 61 61 THR N N 61 120.913 120.913 124.851 -3.938 25700 4907 1 9 . 1 1 61 61 THR HA H 61 5.096 5.096 4.516 0.580 25700 4908 1 9 . 1 1 61 61 THR C C 61 174.645 174.645 173.660 0.985 25700 4909 1 9 . 1 1 61 61 THR CA C 61 60.686 60.686 61.999 -1.313 25700 4910 1 9 . 1 1 61 61 THR CB C 61 69.710 69.710 68.984 0.726 25700 4911 1 9 . 1 1 61 61 THR H H 61 8.340 8.340 8.661 -0.321 25700 4912 1 9 . 1 1 62 62 VAL N N 62 117.650 117.650 125.310 -7.660 25700 4913 1 9 . 1 1 62 62 VAL HA H 62 4.294 4.294 4.086 0.208 25700 4914 1 9 . 1 1 62 62 VAL C C 62 174.530 174.530 175.176 -0.646 25700 4915 1 9 . 1 1 62 62 VAL CA C 62 58.641 58.641 60.882 -2.241 25700 4916 1 9 . 1 1 62 62 VAL CB C 62 34.263 34.263 34.910 -0.647 25700 4917 1 9 . 1 1 62 62 VAL H H 62 8.658 8.658 8.789 -0.131 25700 4918 1 9 . 1 1 63 63 GLY N N 63 107.924 107.924 114.059 -6.135 25700 4919 1 9 . 1 1 63 63 GLY C C 63 172.475 172.475 173.021 -0.546 25700 4920 1 9 . 1 1 63 63 GLY CA C 63 43.668 43.668 44.879 -1.211 25700 4921 1 9 . 1 1 63 63 GLY H H 63 7.857 7.857 8.548 -0.691 25700 4922 1 9 . 1 1 64 64 ASN N N 64 116.073 116.073 118.323 -2.250 25700 4923 1 9 . 1 1 64 64 ASN HA H 64 4.530 4.530 4.869 -0.339 25700 4924 1 9 . 1 1 64 64 ASN C C 64 173.307 173.307 175.070 -1.763 25700 4925 1 9 . 1 1 64 64 ASN CA C 64 55.380 55.380 52.336 3.044 25700 4926 1 9 . 1 1 64 64 ASN CB C 64 39.159 39.159 38.704 0.455 25700 4927 1 9 . 1 1 64 64 ASN H H 64 8.933 8.933 7.910 1.023 25700 4928 1 9 . 1 1 65 65 VAL N N 65 126.612 126.612 118.653 7.959 25700 4929 1 9 . 1 1 65 65 VAL HA H 65 4.238 4.238 4.577 -0.339 25700 4930 1 9 . 1 1 65 65 VAL C C 65 173.538 173.538 173.974 -0.436 25700 4931 1 9 . 1 1 65 65 VAL CA C 65 61.970 61.970 60.110 1.860 25700 4932 1 9 . 1 1 65 65 VAL CB C 65 33.829 33.829 34.589 -0.760 25700 4933 1 9 . 1 1 65 65 VAL H H 65 8.548 8.548 8.345 0.203 25700 4934 1 9 . 1 1 66 66 VAL N N 66 127.886 127.886 125.080 2.806 25700 4935 1 9 . 1 1 66 66 VAL HA H 66 4.990 4.990 4.623 0.367 25700 4936 1 9 . 1 1 66 66 VAL C C 66 175.271 175.271 175.734 -0.463 25700 4937 1 9 . 1 1 66 66 VAL CA C 66 61.360 61.360 61.320 0.040 25700 4938 1 9 . 1 1 66 66 VAL CB C 66 32.923 32.923 33.051 -0.128 25700 4939 1 9 . 1 1 66 66 VAL H H 66 8.364 8.364 8.246 0.118 25700 4940 1 9 . 1 1 67 67 LEU N N 67 126.454 126.454 126.961 -0.507 25700 4941 1 9 . 1 1 67 67 LEU HA H 67 4.955 4.955 4.767 0.188 25700 4942 1 9 . 1 1 67 67 LEU C C 67 176.547 176.547 176.457 0.090 25700 4943 1 9 . 1 1 67 67 LEU CA C 67 52.492 52.492 51.963 0.529 25700 4944 1 9 . 1 1 67 67 LEU CB C 67 46.685 46.685 43.068 3.617 25700 4945 1 9 . 1 1 67 67 LEU H H 67 9.050 9.050 9.080 -0.030 25700 4946 1 9 . 1 1 68 68 ASP N N 68 119.799 119.799 119.071 0.728 25700 4947 1 9 . 1 1 68 68 ASP HA H 68 4.609 4.609 4.318 0.291 25700 4948 1 9 . 1 1 68 68 ASP C C 68 176.247 176.247 175.905 0.342 25700 4949 1 9 . 1 1 68 68 ASP CA C 68 55.492 55.492 53.312 2.179 25700 4950 1 9 . 1 1 68 68 ASP CB C 68 40.566 40.566 40.784 -0.218 25700 4951 1 9 . 1 1 68 68 ASP H H 68 8.722 8.722 8.608 0.114 25700 4952 1 9 . 1 1 69 69 TYR N N 69 123.398 123.398 125.664 -2.266 25700 4953 1 9 . 1 1 69 69 TYR HA H 69 4.651 4.651 4.481 0.170 25700 4954 1 9 . 1 1 69 69 TYR C C 69 174.253 174.253 174.103 0.150 25700 4955 1 9 . 1 1 69 69 TYR CA C 69 57.767 57.767 58.998 -1.231 25700 4956 1 9 . 1 1 69 69 TYR CB C 69 40.067 40.067 38.605 1.462 25700 4957 1 9 . 1 1 69 69 TYR H H 69 8.603 8.603 7.927 0.676 25700 4958 1 9 . 1 1 70 70 SER N N 70 121.308 121.308 122.063 -0.755 25700 4959 1 9 . 1 1 70 70 SER HA H 70 4.059 4.059 4.246 -0.187 25700 4960 1 9 . 1 1 70 70 SER C C 70 174.851 174.851 174.053 0.798 25700 4961 1 9 . 1 1 70 70 SER CA C 70 56.341 56.341 56.667 -0.326 25700 4962 1 9 . 1 1 70 70 SER CB C 70 64.634 64.634 65.394 -0.760 25700 4963 1 9 . 1 1 70 70 SER H H 70 6.749 6.749 8.308 -1.559 25700 4964 1 9 . 1 1 71 71 SER N N 71 122.764 122.764 121.139 1.625 25700 4965 1 9 . 1 1 71 71 SER HA H 71 4.221 4.221 4.285 -0.064 25700 4966 1 9 . 1 1 71 71 SER C C 71 174.098 174.098 175.641 -1.543 25700 4967 1 9 . 1 1 71 71 SER CA C 71 60.326 60.326 60.365 -0.040 25700 4968 1 9 . 1 1 71 71 SER CB C 71 62.814 62.814 63.083 -0.269 25700 4969 1 9 . 1 1 71 71 SER H H 71 8.907 8.907 8.230 0.677 25700 4970 1 9 . 1 1 72 72 ALA N N 72 122.199 122.199 120.915 1.284 25700 4971 1 9 . 1 1 72 72 ALA HA H 72 4.320 4.320 4.371 -0.051 25700 4972 1 9 . 1 1 72 72 ALA C C 72 177.749 177.749 177.108 0.641 25700 4973 1 9 . 1 1 72 72 ALA CA C 72 52.283 52.283 51.562 0.721 25700 4974 1 9 . 1 1 72 72 ALA CB C 72 18.950 18.950 18.085 0.865 25700 4975 1 9 . 1 1 72 72 ALA H H 72 7.869 7.869 8.040 -0.171 25700 4976 1 9 . 1 1 73 73 ASN N N 73 116.297 116.297 116.633 -0.336 25700 4977 1 9 . 1 1 73 73 ASN HA H 73 5.076 5.076 4.465 0.611 25700 4978 1 9 . 1 1 73 73 ASN C C 73 173.794 173.794 174.713 -0.919 25700 4979 1 9 . 1 1 73 73 ASN CA C 73 51.612 51.612 52.996 -1.384 25700 4980 1 9 . 1 1 73 73 ASN CB C 73 40.647 40.647 39.369 1.278 25700 4981 1 9 . 1 1 73 73 ASN H H 73 7.265 7.265 7.493 -0.228 25700 4982 1 9 . 1 1 74 74 ARG N N 74 118.937 118.937 121.153 -2.216 25700 4983 1 9 . 1 1 74 74 ARG HA H 74 4.684 4.684 4.519 0.165 25700 4984 1 9 . 1 1 74 74 ARG C C 74 174.943 174.943 174.074 0.869 25700 4985 1 9 . 1 1 74 74 ARG CA C 74 54.523 54.523 53.927 0.596 25700 4986 1 9 . 1 1 74 74 ARG CB C 74 32.331 32.331 30.083 2.248 25700 4987 1 9 . 1 1 74 74 ARG H H 74 8.529 8.529 7.936 0.593 25700 4988 1 9 . 1 1 75 75 TYR N N 75 122.282 122.282 124.147 -1.865 25700 4989 1 9 . 1 1 75 75 TYR HA H 75 5.159 5.159 5.224 -0.065 25700 4990 1 9 . 1 1 75 75 TYR C C 75 173.593 173.593 174.370 -0.777 25700 4991 1 9 . 1 1 75 75 TYR CA C 75 57.080 57.080 56.664 0.416 25700 4992 1 9 . 1 1 75 75 TYR CB C 75 41.202 41.202 40.365 0.837 25700 4993 1 9 . 1 1 75 75 TYR H H 75 8.691 8.691 8.676 0.015 25700 4994 1 9 . 1 1 76 76 ALA N N 76 122.606 122.606 125.169 -2.563 25700 4995 1 9 . 1 1 76 76 ALA HA H 76 4.788 4.788 4.879 -0.091 25700 4996 1 9 . 1 1 76 76 ALA C C 76 175.765 175.765 174.863 0.902 25700 4997 1 9 . 1 1 76 76 ALA CA C 76 50.543 50.543 49.876 0.667 25700 4998 1 9 . 1 1 76 76 ALA CB C 76 23.070 23.070 22.861 0.209 25700 4999 1 9 . 1 1 76 76 ALA H H 76 8.688 8.688 9.292 -0.604 25700 5000 1 9 . 1 1 77 77 ALA N N 77 119.325 119.325 120.696 -1.371 25700 5001 1 9 . 1 1 77 77 ALA HA H 77 5.488 5.488 5.372 0.116 25700 5002 1 9 . 1 1 77 77 ALA C C 77 174.473 174.473 175.463 -0.990 25700 5003 1 9 . 1 1 77 77 ALA CA C 77 51.813 51.813 51.022 0.791 25700 5004 1 9 . 1 1 77 77 ALA CB C 77 24.137 24.137 22.922 1.215 25700 5005 1 9 . 1 1 77 77 ALA H H 77 8.584 8.584 8.139 0.445 25700 5006 1 9 . 1 1 78 78 ARG N N 78 122.822 122.822 119.087 3.735 25700 5007 1 9 . 1 1 78 78 ARG HA H 78 4.938 4.938 5.650 -0.712 25700 5008 1 9 . 1 1 78 78 ARG C C 78 173.170 173.170 173.949 -0.779 25700 5009 1 9 . 1 1 78 78 ARG CA C 78 54.890 54.890 55.225 -0.335 25700 5010 1 9 . 1 1 78 78 ARG CB C 78 34.467 34.467 32.675 1.792 25700 5011 1 9 . 1 1 78 78 ARG H H 78 8.807 8.807 9.187 -0.380 25700 5012 1 9 . 1 1 79 79 LEU N N 79 130.548 130.548 126.816 3.732 25700 5013 1 9 . 1 1 79 79 LEU HA H 79 5.440 5.440 5.417 0.023 25700 5014 1 9 . 1 1 79 79 LEU C C 79 173.434 173.434 174.584 -1.150 25700 5015 1 9 . 1 1 79 79 LEU CA C 79 53.186 53.186 53.337 -0.151 25700 5016 1 9 . 1 1 79 79 LEU CB C 79 45.369 45.369 45.995 -0.626 25700 5017 1 9 . 1 1 79 79 LEU H H 79 9.055 9.055 8.933 0.122 25700 5018 1 9 . 1 1 80 80 ASP N N 80 125.928 125.928 128.151 -2.223 25700 5019 1 9 . 1 1 80 80 ASP HA H 80 5.480 5.480 5.522 -0.042 25700 5020 1 9 . 1 1 80 80 ASP C C 80 175.805 175.805 175.586 0.219 25700 5021 1 9 . 1 1 80 80 ASP CA C 80 53.794 53.794 53.769 0.025 25700 5022 1 9 . 1 1 80 80 ASP CB C 80 44.119 44.119 42.461 1.658 25700 5023 1 9 . 1 1 80 80 ASP H H 80 9.251 9.251 9.201 0.050 25700 5024 1 9 . 1 1 81 81 VAL N N 81 123.295 123.295 126.132 -2.837 25700 5025 1 9 . 1 1 81 81 VAL HA H 81 4.843 4.843 4.475 0.368 25700 5026 1 9 . 1 1 81 81 VAL C C 81 174.136 174.136 174.631 -0.495 25700 5027 1 9 . 1 1 81 81 VAL CA C 81 61.438 61.438 61.810 -0.373 25700 5028 1 9 . 1 1 81 81 VAL CB C 81 35.299 35.299 31.809 3.490 25700 5029 1 9 . 1 1 81 81 VAL H H 81 8.947 8.947 8.893 0.054 25700 5030 1 9 . 1 1 82 82 SER N N 82 122.698 122.698 123.651 -0.953 25700 5031 1 9 . 1 1 82 82 SER HA H 82 5.380 5.380 5.326 0.054 25700 5032 1 9 . 1 1 82 82 SER C C 82 173.016 173.016 173.638 -0.622 25700 5033 1 9 . 1 1 82 82 SER CA C 82 57.195 57.195 56.522 0.673 25700 5034 1 9 . 1 1 82 82 SER CB C 82 64.477 64.477 64.280 0.197 25700 5035 1 9 . 1 1 82 82 SER H H 82 9.026 9.026 8.600 0.426 25700 5036 1 9 . 1 1 83 83 PHE N N 83 127.305 127.305 128.068 -0.763 25700 5037 1 9 . 1 1 83 83 PHE HA H 83 4.781 4.781 4.763 0.018 25700 5038 1 9 . 1 1 83 83 PHE C C 83 174.741 174.741 175.482 -0.741 25700 5039 1 9 . 1 1 83 83 PHE CA C 83 57.376 57.376 57.643 -0.267 25700 5040 1 9 . 1 1 83 83 PHE CB C 83 42.094 42.094 40.694 1.400 25700 5041 1 9 . 1 1 83 83 PHE H H 83 9.012 9.012 8.847 0.165 25700 5042 1 9 . 1 1 84 84 GLY N N 84 117.337 117.337 116.660 0.677 25700 5043 1 9 . 1 1 84 84 GLY C C 84 175.295 175.295 175.158 0.137 25700 5044 1 9 . 1 1 84 84 GLY CA C 84 47.086 47.086 46.403 0.683 25700 5045 1 9 . 1 1 84 84 GLY H H 84 8.784 8.784 8.522 0.262 25700 5046 1 9 . 1 1 85 85 SER N N 85 120.553 120.553 119.900 0.653 25700 5047 1 9 . 1 1 85 85 SER HA H 85 4.383 4.383 4.444 -0.061 25700 5048 1 9 . 1 1 85 85 SER C C 85 173.796 173.796 174.998 -1.202 25700 5049 1 9 . 1 1 85 85 SER CA C 85 59.095 59.095 58.820 0.275 25700 5050 1 9 . 1 1 85 85 SER CB C 85 63.360 63.360 64.117 -0.757 25700 5051 1 9 . 1 1 85 85 SER H H 85 8.687 8.687 8.490 0.197 25700 5052 1 9 . 1 1 86 86 VAL N N 86 121.297 121.297 123.843 -2.546 25700 5053 1 9 . 1 1 86 86 VAL HA H 86 4.504 4.504 4.257 0.247 25700 5054 1 9 . 1 1 86 86 VAL C C 86 174.888 174.888 173.817 1.071 25700 5055 1 9 . 1 1 86 86 VAL CA C 86 61.610 61.610 62.136 -0.526 25700 5056 1 9 . 1 1 86 86 VAL CB C 86 34.210 34.210 32.811 1.399 25700 5057 1 9 . 1 1 86 86 VAL H H 86 7.963 7.963 7.506 0.457 25700 5058 1 9 . 1 1 87 87 THR N N 87 119.631 119.631 124.105 -4.474 25700 5059 1 9 . 1 1 87 87 THR HA H 87 5.551 5.551 5.581 -0.030 25700 5060 1 9 . 1 1 87 87 THR C C 87 174.271 174.271 173.747 0.524 25700 5061 1 9 . 1 1 87 87 THR CA C 87 60.550 60.550 61.794 -1.244 25700 5062 1 9 . 1 1 87 87 THR CB C 87 71.350 71.350 69.992 1.358 25700 5063 1 9 . 1 1 87 87 THR H H 87 8.302 8.302 8.423 -0.121 25700 5064 1 9 . 1 1 88 88 ILE N N 88 118.811 118.811 122.197 -3.386 25700 5065 1 9 . 1 1 88 88 ILE HA H 88 4.858 4.858 4.865 -0.007 25700 5066 1 9 . 1 1 88 88 ILE C C 88 174.300 174.300 173.335 0.965 25700 5067 1 9 . 1 1 88 88 ILE CA C 88 59.380 59.380 59.188 0.192 25700 5068 1 9 . 1 1 88 88 ILE CB C 88 43.170 43.170 42.469 0.701 25700 5069 1 9 . 1 1 88 88 ILE H H 88 8.986 8.986 8.779 0.207 25700 5070 1 9 . 1 1 89 89 GLN N N 89 120.806 120.806 118.544 2.262 25700 5071 1 9 . 1 1 89 89 GLN HA H 89 5.814 5.814 5.782 0.032 25700 5072 1 9 . 1 1 89 89 GLN C C 89 175.021 175.021 174.902 0.119 25700 5073 1 9 . 1 1 89 89 GLN CA C 89 54.171 54.171 54.288 -0.117 25700 5074 1 9 . 1 1 89 89 GLN CB C 89 34.262 34.262 32.947 1.315 25700 5075 1 9 . 1 1 89 89 GLN H H 89 8.481 8.481 8.367 0.114 25700 5076 1 9 . 1 1 90 90 CYS N N 90 118.531 118.531 116.518 2.013 25700 5077 1 9 . 1 1 90 90 CYS HA H 90 5.010 5.010 4.983 0.027 25700 5078 1 9 . 1 1 90 90 CYS C C 90 172.402 172.402 172.940 -0.538 25700 5079 1 9 . 1 1 90 90 CYS CA C 90 54.874 54.874 57.172 -2.298 25700 5080 1 9 . 1 1 90 90 CYS CB C 90 50.267 50.267 31.166 19.101 25700 5081 1 9 . 1 1 90 90 CYS H H 90 9.151 9.151 8.818 0.333 25700 5082 1 9 . 1 1 91 91 ASN N N 91 116.449 116.449 118.256 -1.807 25700 5083 1 9 . 1 1 91 91 ASN HA H 91 5.615 5.615 5.589 0.026 25700 5084 1 9 . 1 1 91 91 ASN C C 91 174.994 174.994 173.994 1.000 25700 5085 1 9 . 1 1 91 91 ASN CA C 91 52.484 52.484 52.022 0.462 25700 5086 1 9 . 1 1 91 91 ASN CB C 91 43.331 43.331 41.498 1.833 25700 5087 1 9 . 1 1 91 91 ASN H H 91 8.791 8.791 8.273 0.518 25700 5088 1 9 . 1 1 92 92 LEU N N 92 123.391 123.391 122.878 0.513 25700 5089 1 9 . 1 1 92 92 LEU HA H 92 4.286 4.286 4.378 -0.092 25700 5090 1 9 . 1 1 92 92 LEU C C 92 176.188 176.188 176.471 -0.283 25700 5091 1 9 . 1 1 92 92 LEU CA C 92 54.863 54.863 55.114 -0.251 25700 5092 1 9 . 1 1 92 92 LEU CB C 92 45.064 45.064 43.240 1.824 25700 5093 1 9 . 1 1 92 92 LEU H H 92 8.597 8.597 8.626 -0.029 25700 5094 1 9 . 1 1 93 93 ASP N N 93 129.020 129.020 127.295 1.725 25700 5095 1 9 . 1 1 93 93 ASP HA H 93 5.160 5.160 4.982 0.178 25700 5096 1 9 . 1 1 93 93 ASP C C 93 175.761 175.761 175.340 0.421 25700 5097 1 9 . 1 1 93 93 ASP CA C 93 50.948 50.948 52.381 -1.433 25700 5098 1 9 . 1 1 93 93 ASP CB C 93 41.136 41.136 41.197 -0.061 25700 5099 1 9 . 1 1 93 93 ASP H H 93 9.146 9.146 8.671 0.475 25700 5100 1 9 . 1 1 94 94 PRO HA H 94 4.304 4.304 4.631 -0.327 25700 5101 1 9 . 1 1 94 94 PRO C C 94 178.637 178.637 178.031 0.606 25700 5102 1 9 . 1 1 94 94 PRO CA C 94 64.830 64.830 64.950 -0.120 25700 5103 1 9 . 1 1 94 94 PRO CB C 94 32.579 32.579 32.160 0.419 25700 5104 1 9 . 1 1 95 95 GLU N N 95 116.747 116.747 115.242 1.505 25700 5105 1 9 . 1 1 95 95 GLU HA H 95 4.223 4.223 4.245 -0.022 25700 5106 1 9 . 1 1 95 95 GLU C C 95 177.994 177.994 177.820 0.174 25700 5107 1 9 . 1 1 95 95 GLU CA C 95 57.773 57.773 58.072 -0.299 25700 5108 1 9 . 1 1 95 95 GLU CB C 95 29.084 29.084 29.121 -0.037 25700 5109 1 9 . 1 1 95 95 GLU H H 95 8.358 8.358 8.638 -0.280 25700 5110 1 9 . 1 1 96 96 THR N N 96 109.182 109.182 109.950 -0.768 25700 5111 1 9 . 1 1 96 96 THR HA H 96 4.169 4.169 4.460 -0.291 25700 5112 1 9 . 1 1 96 96 THR C C 96 175.238 175.238 175.575 -0.337 25700 5113 1 9 . 1 1 96 96 THR CA C 96 63.038 63.038 62.997 0.041 25700 5114 1 9 . 1 1 96 96 THR CB C 96 69.640 69.640 69.566 0.074 25700 5115 1 9 . 1 1 96 96 THR H H 96 7.951 7.951 8.134 -0.183 25700 5116 1 9 . 1 1 97 97 VAL N N 97 121.118 121.118 121.100 0.018 25700 5117 1 9 . 1 1 97 97 VAL HA H 97 3.770 3.770 3.823 -0.053 25700 5118 1 9 . 1 1 97 97 VAL C C 97 174.851 174.851 175.933 -1.082 25700 5119 1 9 . 1 1 97 97 VAL CA C 97 63.272 63.272 64.567 -1.295 25700 5120 1 9 . 1 1 97 97 VAL CB C 97 30.627 30.627 31.509 -0.882 25700 5121 1 9 . 1 1 97 97 VAL H H 97 7.175 7.175 7.301 -0.126 25700 5122 1 9 . 1 1 98 98 LYS N N 98 123.245 123.245 121.638 1.607 25700 5123 1 9 . 1 1 98 98 LYS HA H 98 4.385 4.385 4.242 0.143 25700 5124 1 9 . 1 1 98 98 LYS C C 98 175.612 175.612 175.805 -0.193 25700 5125 1 9 . 1 1 98 98 LYS CA C 98 55.812 55.812 56.645 -0.833 25700 5126 1 9 . 1 1 98 98 LYS CB C 98 33.804 33.804 30.448 3.356 25700 5127 1 9 . 1 1 98 98 LYS H H 98 7.712 7.712 7.965 -0.253 25700 5128 1 9 . 1 1 99 99 LEU N N 99 122.457 122.457 118.125 4.332 25700 5129 1 9 . 1 1 99 99 LEU HA H 99 4.123 4.123 3.920 0.203 25700 5130 1 9 . 1 1 99 99 LEU C C 99 177.160 177.160 175.963 1.197 25700 5131 1 9 . 1 1 99 99 LEU CA C 99 55.309 55.309 55.557 -0.249 25700 5132 1 9 . 1 1 99 99 LEU CB C 99 42.319 42.319 39.075 3.244 25700 5133 1 9 . 1 1 99 99 LEU H H 99 8.110 8.110 8.697 -0.587 25700 5134 1 9 . 1 1 100 100 GLU N N 100 120.800 120.800 119.220 1.580 25700 5135 1 9 . 1 1 100 100 GLU HA H 100 4.151 4.151 4.363 -0.212 25700 5136 1 9 . 1 1 100 100 GLU C C 100 176.070 176.070 175.204 0.866 25700 5137 1 9 . 1 1 100 100 GLU CA C 100 56.740 56.740 56.073 0.667 25700 5138 1 9 . 1 1 100 100 GLU CB C 100 30.060 30.060 31.650 -1.590 25700 5139 1 9 . 1 1 100 100 GLU H H 100 8.340 8.340 7.899 0.441 25700 5140 1 10 . 1 1 2 2 VAL N N 2 123.080 123.080 125.843 -2.763 25700 5141 1 10 . 1 1 2 2 VAL HA H 2 4.678 4.678 4.284 0.394 25700 5142 1 10 . 1 1 2 2 VAL C C 2 171.871 171.871 174.784 -2.913 25700 5143 1 10 . 1 1 2 2 VAL CA C 2 59.500 59.500 61.261 -1.761 25700 5144 1 10 . 1 1 2 2 VAL CB C 2 34.185 34.185 33.429 0.756 25700 5145 1 10 . 1 1 2 2 VAL H H 2 8.041 8.041 8.621 -0.580 25700 5146 1 10 . 1 1 3 3 GLN N N 3 123.080 123.080 121.816 1.264 25700 5147 1 10 . 1 1 3 3 GLN HA H 3 4.660 4.660 4.698 -0.038 25700 5148 1 10 . 1 1 3 3 GLN CA C 3 54.109 54.109 53.019 1.090 25700 5149 1 10 . 1 1 3 3 GLN CB C 3 33.338 33.338 33.213 0.125 25700 5150 1 10 . 1 1 3 3 GLN H H 3 8.126 8.126 8.930 -0.804 25700 5151 1 10 . 1 1 4 4 CYS N N 4 115.260 115.260 116.971 -1.711 25700 5152 1 10 . 1 1 4 4 CYS HA H 4 5.676 5.676 5.112 0.565 25700 5153 1 10 . 1 1 4 4 CYS C C 4 171.720 171.720 172.917 -1.197 25700 5154 1 10 . 1 1 4 4 CYS CA C 4 53.402 53.402 56.903 -3.501 25700 5155 1 10 . 1 1 4 4 CYS CB C 4 45.525 45.525 30.947 14.578 25700 5156 1 10 . 1 1 4 4 CYS H H 4 8.909 8.909 8.452 0.457 25700 5157 1 10 . 1 1 5 5 GLU N N 5 117.764 117.764 120.708 -2.944 25700 5158 1 10 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.777 -0.298 25700 5159 1 10 . 1 1 5 5 GLU C C 5 174.088 174.088 174.241 -0.153 25700 5160 1 10 . 1 1 5 5 GLU CA C 5 54.838 54.838 54.141 0.697 25700 5161 1 10 . 1 1 5 5 GLU CB C 5 34.155 34.155 34.237 -0.082 25700 5162 1 10 . 1 1 5 5 GLU H H 5 8.580 8.580 8.657 -0.077 25700 5163 1 10 . 1 1 6 6 VAL N N 6 120.471 120.471 115.723 4.748 25700 5164 1 10 . 1 1 6 6 VAL HA H 6 4.427 4.427 4.302 0.125 25700 5165 1 10 . 1 1 6 6 VAL C C 6 174.211 174.211 174.260 -0.049 25700 5166 1 10 . 1 1 6 6 VAL CA C 6 61.540 61.540 60.857 0.683 25700 5167 1 10 . 1 1 6 6 VAL CB C 6 32.618 32.618 32.998 -0.380 25700 5168 1 10 . 1 1 6 6 VAL H H 6 8.588 8.588 8.176 0.412 25700 5169 1 10 . 1 1 7 7 GLU N N 7 125.816 125.816 126.027 -0.211 25700 5170 1 10 . 1 1 7 7 GLU HA H 7 4.548 4.548 4.778 -0.230 25700 5171 1 10 . 1 1 7 7 GLU C C 7 174.194 174.194 174.996 -0.802 25700 5172 1 10 . 1 1 7 7 GLU CA C 7 54.524 54.524 54.353 0.171 25700 5173 1 10 . 1 1 7 7 GLU CB C 7 33.291 33.291 33.094 0.197 25700 5174 1 10 . 1 1 7 7 GLU H H 7 8.820 8.820 8.517 0.303 25700 5175 1 10 . 1 1 8 8 ALA N N 8 122.882 122.882 123.196 -0.314 25700 5176 1 10 . 1 1 8 8 ALA HA H 8 5.238 5.238 4.674 0.564 25700 5177 1 10 . 1 1 8 8 ALA C C 8 175.557 175.557 175.493 0.064 25700 5178 1 10 . 1 1 8 8 ALA CA C 8 49.950 49.950 51.202 -1.252 25700 5179 1 10 . 1 1 8 8 ALA CB C 8 22.730 22.730 21.419 1.311 25700 5180 1 10 . 1 1 8 8 ALA H H 8 8.410 8.410 8.551 -0.141 25700 5181 1 10 . 1 1 9 9 ALA N N 9 124.110 124.110 127.595 -3.485 25700 5182 1 10 . 1 1 9 9 ALA HA H 9 4.691 4.691 4.840 -0.149 25700 5183 1 10 . 1 1 9 9 ALA C C 9 176.300 176.300 176.066 0.234 25700 5184 1 10 . 1 1 9 9 ALA CA C 9 50.825 50.825 50.375 0.450 25700 5185 1 10 . 1 1 9 9 ALA CB C 9 21.240 21.240 20.338 0.902 25700 5186 1 10 . 1 1 9 9 ALA H H 9 8.407 8.407 9.037 -0.630 25700 5187 1 10 . 1 1 10 10 VAL N N 10 126.780 126.780 125.836 0.944 25700 5188 1 10 . 1 1 10 10 VAL HA H 10 4.379 4.379 3.927 0.452 25700 5189 1 10 . 1 1 10 10 VAL C C 10 175.717 175.717 175.494 0.223 25700 5190 1 10 . 1 1 10 10 VAL CA C 10 61.580 61.580 62.909 -1.329 25700 5191 1 10 . 1 1 10 10 VAL CB C 10 32.209 32.209 31.935 0.274 25700 5192 1 10 . 1 1 10 10 VAL H H 10 8.860 8.860 8.697 0.164 25700 5193 1 10 . 1 1 11 11 SER N N 11 120.868 120.868 124.157 -3.289 25700 5194 1 10 . 1 1 11 11 SER HA H 11 4.448 4.448 4.696 -0.248 25700 5195 1 10 . 1 1 11 11 SER C C 11 175.498 175.498 174.356 1.142 25700 5196 1 10 . 1 1 11 11 SER CA C 11 57.590 57.590 56.545 1.045 25700 5197 1 10 . 1 1 11 11 SER CB C 11 64.000 64.000 64.640 -0.640 25700 5198 1 10 . 1 1 11 11 SER H H 11 8.478 8.478 8.914 -0.436 25700 5199 1 10 . 1 1 12 12 GLY N N 12 116.896 116.896 108.199 8.697 25700 5200 1 10 . 1 1 12 12 GLY C C 12 174.994 174.994 174.773 0.221 25700 5201 1 10 . 1 1 12 12 GLY CA C 12 47.515 47.515 46.169 1.346 25700 5202 1 10 . 1 1 12 12 GLY H H 12 9.120 9.120 8.584 0.536 25700 5203 1 10 . 1 1 13 13 GLY N N 13 108.984 108.984 114.303 -5.319 25700 5204 1 10 . 1 1 13 13 GLY C C 13 174.440 174.440 173.469 0.971 25700 5205 1 10 . 1 1 13 13 GLY CA C 13 45.383 45.383 45.051 0.332 25700 5206 1 10 . 1 1 13 13 GLY H H 13 8.816 8.816 8.523 0.293 25700 5207 1 10 . 1 1 14 14 HIS N N 14 118.737 118.737 119.038 -0.301 25700 5208 1 10 . 1 1 14 14 HIS HA H 14 5.458 5.458 5.331 0.127 25700 5209 1 10 . 1 1 14 14 HIS C C 14 172.243 172.243 173.159 -0.916 25700 5210 1 10 . 1 1 14 14 HIS CA C 14 54.905 54.905 55.244 -0.339 25700 5211 1 10 . 1 1 14 14 HIS CB C 14 32.311 32.311 33.058 -0.747 25700 5212 1 10 . 1 1 14 14 HIS H H 14 8.084 8.084 7.655 0.429 25700 5213 1 10 . 1 1 15 15 VAL N N 15 120.204 120.204 125.432 -5.228 25700 5214 1 10 . 1 1 15 15 VAL HA H 15 4.932 4.932 4.605 0.327 25700 5215 1 10 . 1 1 15 15 VAL C C 15 172.314 172.314 174.341 -2.027 25700 5216 1 10 . 1 1 15 15 VAL CA C 15 58.540 58.540 59.882 -1.342 25700 5217 1 10 . 1 1 15 15 VAL CB C 15 34.285 34.285 33.856 0.429 25700 5218 1 10 . 1 1 15 15 VAL H H 15 9.369 9.369 9.068 0.301 25700 5219 1 10 . 1 1 16 16 THR N N 16 123.685 123.685 126.001 -2.316 25700 5220 1 10 . 1 1 16 16 THR HA H 16 5.220 5.220 4.673 0.547 25700 5221 1 10 . 1 1 16 16 THR C C 16 174.478 174.478 173.025 1.453 25700 5222 1 10 . 1 1 16 16 THR CA C 16 61.481 61.481 62.752 -1.271 25700 5223 1 10 . 1 1 16 16 THR CB C 16 70.017 70.017 68.881 1.136 25700 5224 1 10 . 1 1 16 16 THR H H 16 8.604 8.604 9.175 -0.571 25700 5225 1 10 . 1 1 17 17 LEU N N 17 128.958 128.958 129.455 -0.497 25700 5226 1 10 . 1 1 17 17 LEU HA H 17 5.407 5.407 4.580 0.827 25700 5227 1 10 . 1 1 17 17 LEU C C 17 174.481 174.481 174.194 0.287 25700 5228 1 10 . 1 1 17 17 LEU CA C 17 53.999 53.999 53.951 0.048 25700 5229 1 10 . 1 1 17 17 LEU CB C 17 44.108 44.108 44.711 -0.602 25700 5230 1 10 . 1 1 17 17 LEU H H 17 9.627 9.627 9.288 0.339 25700 5231 1 10 . 1 1 18 18 GLN N N 18 115.227 115.227 120.575 -5.348 25700 5232 1 10 . 1 1 18 18 GLN HA H 18 4.465 4.465 5.007 -0.542 25700 5233 1 10 . 1 1 18 18 GLN C C 18 174.042 174.042 174.360 -0.318 25700 5234 1 10 . 1 1 18 18 GLN CA C 18 53.725 53.725 54.197 -0.472 25700 5235 1 10 . 1 1 18 18 GLN CB C 18 31.767 31.767 32.712 -0.945 25700 5236 1 10 . 1 1 18 18 GLN H H 18 8.243 8.243 8.393 -0.150 25700 5237 1 10 . 1 1 19 19 GLY N N 19 107.795 107.795 108.213 -0.418 25700 5238 1 10 . 1 1 19 19 GLY C C 19 172.005 172.005 173.001 -0.996 25700 5239 1 10 . 1 1 19 19 GLY CA C 19 44.485 44.485 43.663 0.821 25700 5240 1 10 . 1 1 19 19 GLY H H 19 9.100 9.100 9.101 -0.001 25700 5241 1 10 . 1 1 20 20 VAL N N 20 120.951 120.951 127.059 -6.108 25700 5242 1 10 . 1 1 20 20 VAL HA H 20 4.634 4.634 4.127 0.507 25700 5243 1 10 . 1 1 20 20 VAL C C 20 175.670 175.670 175.254 0.416 25700 5244 1 10 . 1 1 20 20 VAL CA C 20 61.380 61.380 62.444 -1.064 25700 5245 1 10 . 1 1 20 20 VAL CB C 20 33.990 33.990 31.630 2.360 25700 5246 1 10 . 1 1 20 20 VAL H H 20 8.859 8.859 9.434 -0.575 25700 5247 1 10 . 1 1 21 21 ILE N N 21 129.511 129.511 131.683 -2.172 25700 5248 1 10 . 1 1 21 21 ILE HA H 21 4.443 4.443 4.363 0.080 25700 5249 1 10 . 1 1 21 21 ILE C C 21 174.567 174.567 175.632 -1.065 25700 5250 1 10 . 1 1 21 21 ILE CA C 21 59.883 59.883 60.707 -0.824 25700 5251 1 10 . 1 1 21 21 ILE CB C 21 41.152 41.152 38.415 2.737 25700 5252 1 10 . 1 1 21 21 ILE H H 21 9.304 9.304 9.254 0.050 25700 5253 1 10 . 1 1 22 22 THR N N 22 120.311 120.311 125.759 -5.448 25700 5254 1 10 . 1 1 22 22 THR HA H 22 4.479 4.479 5.042 -0.563 25700 5255 1 10 . 1 1 22 22 THR C C 22 172.996 172.996 173.371 -0.375 25700 5256 1 10 . 1 1 22 22 THR CA C 22 61.647 61.647 62.473 -0.826 25700 5257 1 10 . 1 1 22 22 THR CB C 22 70.230 70.230 69.466 0.764 25700 5258 1 10 . 1 1 22 22 THR H H 22 8.063 8.063 8.337 -0.274 25700 5259 1 10 . 1 1 23 23 ALA N N 23 104.959 104.959 129.497 -24.538 25700 5260 1 10 . 1 1 23 23 ALA HA H 23 5.056 5.056 4.763 0.293 25700 5261 1 10 . 1 1 23 23 ALA C C 23 177.722 177.722 177.369 0.353 25700 5262 1 10 . 1 1 23 23 ALA CA C 23 49.963 49.963 50.312 -0.349 25700 5263 1 10 . 1 1 23 23 ALA CB C 23 22.915 22.915 21.308 1.607 25700 5264 1 10 . 1 1 23 23 ALA H H 23 9.764 9.764 8.305 1.459 25700 5265 1 10 . 1 1 24 24 VAL N N 24 113.370 113.370 123.250 -9.880 25700 5266 1 10 . 1 1 24 24 VAL HA H 24 4.083 4.083 4.191 -0.108 25700 5267 1 10 . 1 1 24 24 VAL C C 24 174.539 174.539 175.914 -1.375 25700 5268 1 10 . 1 1 24 24 VAL CA C 24 62.339 62.339 64.547 -2.208 25700 5269 1 10 . 1 1 24 24 VAL CB C 24 31.933 31.933 32.102 -0.170 25700 5270 1 10 . 1 1 24 24 VAL H H 24 8.239 8.239 8.437 -0.198 25700 5271 1 10 . 1 1 25 25 ARG N N 25 116.002 116.002 119.041 -3.039 25700 5272 1 10 . 1 1 25 25 ARG HA H 25 4.740 4.740 4.561 0.179 25700 5273 1 10 . 1 1 25 25 ARG C C 25 172.797 172.797 174.451 -1.654 25700 5274 1 10 . 1 1 25 25 ARG CA C 25 53.284 53.284 53.831 -0.548 25700 5275 1 10 . 1 1 25 25 ARG CB C 25 33.542 33.542 32.849 0.693 25700 5276 1 10 . 1 1 25 25 ARG H H 25 7.308 7.308 7.759 -0.451 25700 5277 1 10 . 1 1 26 26 ASP N N 26 118.075 118.075 122.297 -4.222 25700 5278 1 10 . 1 1 26 26 ASP HA H 26 4.665 4.665 4.752 -0.087 25700 5279 1 10 . 1 1 26 26 ASP C C 26 177.721 177.721 175.909 1.812 25700 5280 1 10 . 1 1 26 26 ASP CA C 26 53.911 53.911 53.934 -0.023 25700 5281 1 10 . 1 1 26 26 ASP CB C 26 41.143 41.143 41.594 -0.451 25700 5282 1 10 . 1 1 26 26 ASP H H 26 8.301 8.301 8.302 -0.001 25700 5283 1 10 . 1 1 27 27 GLY N N 27 106.966 106.966 109.692 -2.726 25700 5284 1 10 . 1 1 27 27 GLY C C 27 170.472 170.472 172.054 -1.582 25700 5285 1 10 . 1 1 27 27 GLY CA C 27 46.213 46.213 45.498 0.715 25700 5286 1 10 . 1 1 27 27 GLY H H 27 8.276 8.276 8.802 -0.526 25700 5287 1 10 . 1 1 28 28 ALA N N 28 122.805 122.805 122.544 0.261 25700 5288 1 10 . 1 1 28 28 ALA HA H 28 4.898 4.898 5.027 -0.129 25700 5289 1 10 . 1 1 28 28 ALA C C 28 176.720 176.720 175.404 1.316 25700 5290 1 10 . 1 1 28 28 ALA CA C 28 50.756 50.756 51.212 -0.456 25700 5291 1 10 . 1 1 28 28 ALA CB C 28 21.482 21.482 21.220 0.262 25700 5292 1 10 . 1 1 28 28 ALA H H 28 8.065 8.065 8.180 -0.115 25700 5293 1 10 . 1 1 29 29 GLY N N 29 106.538 106.538 107.865 -1.327 25700 5294 1 10 . 1 1 29 29 GLY C C 29 172.866 172.866 170.899 1.967 25700 5295 1 10 . 1 1 29 29 GLY CA C 29 45.538 45.538 42.973 2.565 25700 5296 1 10 . 1 1 29 29 GLY H H 29 7.654 7.654 8.505 -0.851 25700 5297 1 10 . 1 1 30 30 SER N N 30 116.216 116.216 113.199 3.017 25700 5298 1 10 . 1 1 30 30 SER HA H 30 5.564 5.564 4.378 1.186 25700 5299 1 10 . 1 1 30 30 SER C C 30 172.216 172.216 172.514 -0.298 25700 5300 1 10 . 1 1 30 30 SER CA C 30 57.505 57.505 56.718 0.787 25700 5301 1 10 . 1 1 30 30 SER CB C 30 66.321 66.321 65.654 0.667 25700 5302 1 10 . 1 1 30 30 SER H H 30 9.185 9.185 7.749 1.436 25700 5303 1 10 . 1 1 31 31 TYR N N 31 118.467 118.467 116.510 1.957 25700 5304 1 10 . 1 1 31 31 TYR HA H 31 6.035 6.035 5.075 0.960 25700 5305 1 10 . 1 1 31 31 TYR C C 31 174.138 174.138 174.033 0.105 25700 5306 1 10 . 1 1 31 31 TYR CA C 31 55.806 55.806 56.390 -0.584 25700 5307 1 10 . 1 1 31 31 TYR CB C 31 43.091 43.091 41.520 1.571 25700 5308 1 10 . 1 1 31 31 TYR H H 31 9.215 9.215 8.255 0.960 25700 5309 1 10 . 1 1 32 32 LYS N N 32 121.086 121.086 120.477 0.609 25700 5310 1 10 . 1 1 32 32 LYS HA H 32 4.772 4.772 4.785 -0.013 25700 5311 1 10 . 1 1 32 32 LYS C C 32 173.750 173.750 174.351 -0.601 25700 5312 1 10 . 1 1 32 32 LYS CA C 32 56.495 56.495 55.255 1.240 25700 5313 1 10 . 1 1 32 32 LYS CB C 32 35.800 35.800 34.674 1.126 25700 5314 1 10 . 1 1 32 32 LYS H H 32 8.904 8.904 9.357 -0.453 25700 5315 1 10 . 1 1 33 33 LEU N N 33 128.296 128.296 127.583 0.713 25700 5316 1 10 . 1 1 33 33 LEU HA H 33 5.329 5.329 5.059 0.270 25700 5317 1 10 . 1 1 33 33 LEU C C 33 173.389 173.389 174.253 -0.864 25700 5318 1 10 . 1 1 33 33 LEU CA C 33 53.547 53.547 53.067 0.480 25700 5319 1 10 . 1 1 33 33 LEU CB C 33 45.460 45.460 44.204 1.256 25700 5320 1 10 . 1 1 33 33 LEU H H 33 9.663 9.663 8.808 0.855 25700 5321 1 10 . 1 1 34 34 ALA N N 34 129.791 129.791 130.799 -1.008 25700 5322 1 10 . 1 1 34 34 ALA HA H 34 5.419 5.419 4.872 0.547 25700 5323 1 10 . 1 1 34 34 ALA C C 34 176.313 176.313 175.255 1.058 25700 5324 1 10 . 1 1 34 34 ALA CA C 34 50.605 50.605 50.163 0.442 25700 5325 1 10 . 1 1 34 34 ALA CB C 34 21.237 21.237 22.466 -1.229 25700 5326 1 10 . 1 1 34 34 ALA H H 34 9.044 9.044 9.339 -0.295 25700 5327 1 10 . 1 1 35 35 VAL N N 35 124.532 124.532 122.500 2.032 25700 5328 1 10 . 1 1 35 35 VAL HA H 35 4.844 4.844 4.412 0.432 25700 5329 1 10 . 1 1 35 35 VAL C C 35 173.511 173.511 174.472 -0.961 25700 5330 1 10 . 1 1 35 35 VAL CA C 35 61.113 61.113 60.693 0.420 25700 5331 1 10 . 1 1 35 35 VAL CB C 35 35.152 35.152 33.850 1.302 25700 5332 1 10 . 1 1 35 35 VAL H H 35 9.332 9.332 8.417 0.915 25700 5333 1 10 . 1 1 36 36 ASP N N 36 127.077 127.077 126.482 0.595 25700 5334 1 10 . 1 1 36 36 ASP HA H 36 5.560 5.560 5.009 0.551 25700 5335 1 10 . 1 1 36 36 ASP C C 36 174.146 174.146 174.484 -0.338 25700 5336 1 10 . 1 1 36 36 ASP CA C 36 53.219 53.219 53.141 0.078 25700 5337 1 10 . 1 1 36 36 ASP CB C 36 44.387 44.387 43.101 1.286 25700 5338 1 10 . 1 1 36 36 ASP H H 36 9.169 9.169 9.120 0.049 25700 5339 1 10 . 1 1 37 37 LYS N N 37 122.568 122.568 127.676 -5.108 25700 5340 1 10 . 1 1 37 37 LYS HA H 37 4.673 4.673 5.417 -0.744 25700 5341 1 10 . 1 1 37 37 LYS C C 37 173.710 173.710 174.104 -0.394 25700 5342 1 10 . 1 1 37 37 LYS CA C 37 54.410 54.410 54.786 -0.376 25700 5343 1 10 . 1 1 37 37 LYS CB C 37 34.907 34.907 35.910 -1.003 25700 5344 1 10 . 1 1 37 37 LYS H H 37 8.665 8.665 7.910 0.755 25700 5345 1 10 . 1 1 38 38 ALA N N 38 130.221 130.221 129.640 0.581 25700 5346 1 10 . 1 1 38 38 ALA HA H 38 4.983 4.983 5.212 -0.229 25700 5347 1 10 . 1 1 38 38 ALA C C 38 176.141 176.141 175.293 0.848 25700 5348 1 10 . 1 1 38 38 ALA CA C 38 51.093 51.093 50.839 0.254 25700 5349 1 10 . 1 1 38 38 ALA CB C 38 21.778 21.778 21.505 0.273 25700 5350 1 10 . 1 1 38 38 ALA H H 38 8.798 8.798 9.155 -0.357 25700 5351 1 10 . 1 1 39 39 GLY N N 39 109.328 109.328 109.768 -0.440 25700 5352 1 10 . 1 1 39 39 GLY C C 39 174.208 174.208 174.578 -0.370 25700 5353 1 10 . 1 1 39 39 GLY CA C 39 44.645 44.645 43.981 0.664 25700 5354 1 10 . 1 1 39 39 GLY H H 39 7.851 7.851 8.703 -0.852 25700 5355 1 10 . 1 1 40 40 ALA N N 40 125.088 125.088 122.421 2.667 25700 5356 1 10 . 1 1 40 40 ALA HA H 40 4.051 4.051 4.100 -0.049 25700 5357 1 10 . 1 1 40 40 ALA C C 40 178.917 178.917 178.865 0.052 25700 5358 1 10 . 1 1 40 40 ALA CA C 40 54.841 54.841 54.405 0.436 25700 5359 1 10 . 1 1 40 40 ALA CB C 40 18.293 18.293 18.762 -0.469 25700 5360 1 10 . 1 1 40 40 ALA H H 40 8.766 8.766 8.570 0.196 25700 5361 1 10 . 1 1 41 41 ALA N N 41 117.569 117.569 120.551 -2.982 25700 5362 1 10 . 1 1 41 41 ALA HA H 41 4.419 4.419 4.426 -0.007 25700 5363 1 10 . 1 1 41 41 ALA C C 41 177.136 177.136 177.696 -0.560 25700 5364 1 10 . 1 1 41 41 ALA CA C 41 51.929 51.929 51.212 0.718 25700 5365 1 10 . 1 1 41 41 ALA CB C 41 18.774 18.774 18.638 0.136 25700 5366 1 10 . 1 1 41 41 ALA H H 41 8.300 8.300 8.005 0.295 25700 5367 1 10 . 1 1 42 42 GLY N N 42 106.796 106.796 108.130 -1.334 25700 5368 1 10 . 1 1 42 42 GLY C C 42 173.379 173.379 173.050 0.329 25700 5369 1 10 . 1 1 42 42 GLY CA C 42 44.336 44.336 44.437 -0.101 25700 5370 1 10 . 1 1 42 42 GLY H H 42 7.577 7.577 7.716 -0.139 25700 5371 1 10 . 1 1 43 43 THR N N 43 116.541 116.541 114.187 2.354 25700 5372 1 10 . 1 1 43 43 THR HA H 43 5.263 5.263 5.294 -0.031 25700 5373 1 10 . 1 1 43 43 THR C C 43 174.244 174.244 174.111 0.133 25700 5374 1 10 . 1 1 43 43 THR CA C 43 61.137 61.137 60.484 0.653 25700 5375 1 10 . 1 1 43 43 THR CB C 43 70.759 70.759 70.590 0.169 25700 5376 1 10 . 1 1 43 43 THR H H 43 8.526 8.526 8.262 0.264 25700 5377 1 10 . 1 1 44 44 SER N N 44 120.903 120.903 116.973 3.930 25700 5378 1 10 . 1 1 44 44 SER HA H 44 4.759 4.759 4.905 -0.146 25700 5379 1 10 . 1 1 44 44 SER C C 44 172.241 172.241 173.123 -0.882 25700 5380 1 10 . 1 1 44 44 SER CA C 44 57.340 57.340 57.532 -0.192 25700 5381 1 10 . 1 1 44 44 SER CB C 44 65.568 65.568 66.189 -0.621 25700 5382 1 10 . 1 1 44 44 SER H H 44 8.904 8.904 9.127 -0.223 25700 5383 1 10 . 1 1 45 45 ARG N N 45 124.546 124.546 122.311 2.235 25700 5384 1 10 . 1 1 45 45 ARG HA H 45 5.489 5.489 4.687 0.802 25700 5385 1 10 . 1 1 45 45 ARG C C 45 175.520 175.520 175.676 -0.156 25700 5386 1 10 . 1 1 45 45 ARG CA C 45 55.101 55.101 54.998 0.103 25700 5387 1 10 . 1 1 45 45 ARG CB C 45 32.760 32.760 30.635 2.125 25700 5388 1 10 . 1 1 45 45 ARG H H 45 8.579 8.579 8.541 0.038 25700 5389 1 10 . 1 1 46 46 ILE N N 46 127.920 127.920 126.773 1.147 25700 5390 1 10 . 1 1 46 46 ILE HA H 46 4.460 4.460 4.376 0.084 25700 5391 1 10 . 1 1 46 46 ILE C C 46 174.450 174.450 174.473 -0.023 25700 5392 1 10 . 1 1 46 46 ILE CA C 46 60.220 60.220 60.623 -0.403 25700 5393 1 10 . 1 1 46 46 ILE CB C 46 41.290 41.290 40.617 0.673 25700 5394 1 10 . 1 1 46 46 ILE H H 46 9.344 9.344 8.320 1.024 25700 5395 1 10 . 1 1 47 47 LYS N N 47 126.061 126.061 127.526 -1.465 25700 5396 1 10 . 1 1 47 47 LYS HA H 47 5.514 5.514 4.588 0.926 25700 5397 1 10 . 1 1 47 47 LYS C C 47 175.790 175.790 175.180 0.610 25700 5398 1 10 . 1 1 47 47 LYS CA C 47 54.870 54.870 56.234 -1.364 25700 5399 1 10 . 1 1 47 47 LYS CB C 47 35.386 35.386 34.318 1.068 25700 5400 1 10 . 1 1 47 47 LYS H H 47 8.734 8.734 8.590 0.144 25700 5401 1 10 . 1 1 48 48 GLN N N 48 122.633 122.633 126.980 -4.347 25700 5402 1 10 . 1 1 48 48 GLN HA H 48 4.669 4.669 4.669 0.000 25700 5403 1 10 . 1 1 48 48 GLN C C 48 173.659 173.659 173.836 -0.177 25700 5404 1 10 . 1 1 48 48 GLN CA C 48 54.895 54.895 54.904 -0.009 25700 5405 1 10 . 1 1 48 48 GLN CB C 48 33.072 33.072 32.153 0.919 25700 5406 1 10 . 1 1 48 48 GLN H H 48 9.228 9.228 9.008 0.220 25700 5407 1 10 . 1 1 49 49 ALA N N 49 125.634 125.634 125.961 -0.327 25700 5408 1 10 . 1 1 49 49 ALA HA H 49 4.544 4.544 5.019 -0.475 25700 5409 1 10 . 1 1 49 49 ALA C C 49 175.881 175.881 176.274 -0.393 25700 5410 1 10 . 1 1 49 49 ALA CA C 49 50.993 50.993 51.138 -0.145 25700 5411 1 10 . 1 1 49 49 ALA CB C 49 22.620 22.620 21.512 1.108 25700 5412 1 10 . 1 1 49 49 ALA H H 49 8.557 8.557 8.535 0.022 25700 5413 1 10 . 1 1 50 50 GLY N N 50 105.483 105.483 108.468 -2.985 25700 5414 1 10 . 1 1 50 50 GLY C C 50 170.217 170.217 171.726 -1.509 25700 5415 1 10 . 1 1 50 50 GLY CA C 50 45.670 45.670 46.117 -0.447 25700 5416 1 10 . 1 1 50 50 GLY H H 50 6.865 6.865 8.130 -1.265 25700 5417 1 10 . 1 1 51 51 ALA N N 51 122.908 122.908 121.786 1.122 25700 5418 1 10 . 1 1 51 51 ALA HA H 51 5.265 5.265 4.554 0.711 25700 5419 1 10 . 1 1 51 51 ALA C C 51 176.793 176.793 175.102 1.691 25700 5420 1 10 . 1 1 51 51 ALA CA C 51 50.736 50.736 51.069 -0.333 25700 5421 1 10 . 1 1 51 51 ALA CB C 51 21.840 21.840 21.651 0.189 25700 5422 1 10 . 1 1 51 51 ALA H H 51 8.522 8.522 8.032 0.490 25700 5423 1 10 . 1 1 52 52 PHE N N 52 115.156 115.156 119.350 -4.194 25700 5424 1 10 . 1 1 52 52 PHE HA H 52 5.106 5.106 4.868 0.238 25700 5425 1 10 . 1 1 52 52 PHE C C 52 172.832 172.832 173.503 -0.671 25700 5426 1 10 . 1 1 52 52 PHE CA C 52 56.890 56.890 57.420 -0.530 25700 5427 1 10 . 1 1 52 52 PHE CB C 52 42.428 42.428 42.852 -0.424 25700 5428 1 10 . 1 1 52 52 PHE H H 52 8.191 8.191 8.795 -0.604 25700 5429 1 10 . 1 1 53 53 THR N N 53 116.180 116.180 116.426 -0.246 25700 5430 1 10 . 1 1 53 53 THR HA H 53 4.631 4.631 4.497 0.134 25700 5431 1 10 . 1 1 53 53 THR C C 53 172.769 172.769 172.790 -0.021 25700 5432 1 10 . 1 1 53 53 THR CA C 53 61.610 61.610 61.287 0.323 25700 5433 1 10 . 1 1 53 53 THR CB C 53 70.736 70.736 68.964 1.772 25700 5434 1 10 . 1 1 53 53 THR H H 53 8.650 8.650 6.751 1.899 25700 5435 1 10 . 1 1 54 54 ALA N N 54 127.969 127.969 129.480 -1.511 25700 5436 1 10 . 1 1 54 54 ALA HA H 54 4.748 4.748 4.827 -0.079 25700 5437 1 10 . 1 1 54 54 ALA C C 54 176.369 176.369 174.944 1.425 25700 5438 1 10 . 1 1 54 54 ALA CA C 54 51.397 51.397 50.369 1.028 25700 5439 1 10 . 1 1 54 54 ALA CB C 54 22.010 22.010 22.377 -0.367 25700 5440 1 10 . 1 1 54 54 ALA H H 54 9.353 9.353 8.803 0.550 25700 5441 1 10 . 1 1 55 55 ILE N N 55 123.326 123.326 120.694 2.632 25700 5442 1 10 . 1 1 55 55 ILE HA H 55 4.391 4.391 4.331 0.060 25700 5443 1 10 . 1 1 55 55 ILE C C 55 176.079 176.079 175.561 0.518 25700 5444 1 10 . 1 1 55 55 ILE CA C 55 59.138 59.138 59.559 -0.421 25700 5445 1 10 . 1 1 55 55 ILE CB C 55 39.451 39.451 41.189 -1.738 25700 5446 1 10 . 1 1 55 55 ILE H H 55 7.856 7.856 8.644 -0.788 25700 5447 1 10 . 1 1 56 56 ALA N N 56 130.280 130.280 128.192 2.088 25700 5448 1 10 . 1 1 56 56 ALA HA H 56 3.493 3.493 4.381 -0.888 25700 5449 1 10 . 1 1 56 56 ALA C C 56 177.405 177.405 177.942 -0.537 25700 5450 1 10 . 1 1 56 56 ALA CA C 56 54.156 54.156 52.781 1.375 25700 5451 1 10 . 1 1 56 56 ALA CB C 56 18.871 18.871 18.737 0.134 25700 5452 1 10 . 1 1 56 56 ALA H H 56 9.104 9.104 8.467 0.637 25700 5453 1 10 . 1 1 57 57 GLU N N 57 113.081 113.081 118.901 -5.820 25700 5454 1 10 . 1 1 57 57 GLU HA H 57 3.614 3.614 3.816 -0.202 25700 5455 1 10 . 1 1 57 57 GLU C C 57 174.959 174.959 175.667 -0.708 25700 5456 1 10 . 1 1 57 57 GLU CA C 57 58.080 58.080 58.041 0.039 25700 5457 1 10 . 1 1 57 57 GLU CB C 57 27.141 27.141 27.938 -0.797 25700 5458 1 10 . 1 1 57 57 GLU H H 57 9.007 9.007 8.883 0.124 25700 5459 1 10 . 1 1 58 58 GLN N N 58 119.796 119.796 118.675 1.121 25700 5460 1 10 . 1 1 58 58 GLN HA H 58 4.519 4.519 4.614 -0.095 25700 5461 1 10 . 1 1 58 58 GLN C C 58 175.217 175.217 175.096 0.121 25700 5462 1 10 . 1 1 58 58 GLN CA C 58 54.379 54.379 54.013 0.366 25700 5463 1 10 . 1 1 58 58 GLN CB C 58 30.102 30.102 30.472 -0.370 25700 5464 1 10 . 1 1 58 58 GLN H H 58 8.061 8.061 7.647 0.414 25700 5465 1 10 . 1 1 59 59 ARG N N 59 124.810 124.810 122.913 1.897 25700 5466 1 10 . 1 1 59 59 ARG HA H 59 4.286 4.286 4.361 -0.075 25700 5467 1 10 . 1 1 59 59 ARG C C 59 176.396 176.396 175.743 0.653 25700 5468 1 10 . 1 1 59 59 ARG CA C 59 56.810 56.810 55.364 1.446 25700 5469 1 10 . 1 1 59 59 ARG CB C 59 30.906 30.906 30.554 0.352 25700 5470 1 10 . 1 1 59 59 ARG H H 59 8.486 8.486 8.553 -0.067 25700 5471 1 10 . 1 1 60 60 VAL N N 60 127.238 127.238 128.457 -1.219 25700 5472 1 10 . 1 1 60 60 VAL HA H 60 4.319 4.319 4.345 -0.026 25700 5473 1 10 . 1 1 60 60 VAL C C 60 174.543 174.543 174.843 -0.300 25700 5474 1 10 . 1 1 60 60 VAL CA C 60 61.227 61.227 60.738 0.489 25700 5475 1 10 . 1 1 60 60 VAL CB C 60 34.177 34.177 33.398 0.779 25700 5476 1 10 . 1 1 60 60 VAL H H 60 9.033 9.033 9.111 -0.078 25700 5477 1 10 . 1 1 61 61 THR N N 61 120.913 120.913 124.223 -3.310 25700 5478 1 10 . 1 1 61 61 THR HA H 61 5.096 5.096 4.713 0.383 25700 5479 1 10 . 1 1 61 61 THR C C 61 174.645 174.645 173.802 0.843 25700 5480 1 10 . 1 1 61 61 THR CA C 61 60.686 60.686 61.738 -1.052 25700 5481 1 10 . 1 1 61 61 THR CB C 61 69.710 69.710 69.132 0.578 25700 5482 1 10 . 1 1 61 61 THR H H 61 8.340 8.340 8.629 -0.289 25700 5483 1 10 . 1 1 62 62 VAL N N 62 117.650 117.650 125.011 -7.361 25700 5484 1 10 . 1 1 62 62 VAL HA H 62 4.294 4.294 4.074 0.220 25700 5485 1 10 . 1 1 62 62 VAL C C 62 174.530 174.530 175.148 -0.618 25700 5486 1 10 . 1 1 62 62 VAL CA C 62 58.641 58.641 60.656 -2.014 25700 5487 1 10 . 1 1 62 62 VAL CB C 62 34.263 34.263 34.781 -0.518 25700 5488 1 10 . 1 1 62 62 VAL H H 62 8.658 8.658 8.945 -0.287 25700 5489 1 10 . 1 1 63 63 GLY N N 63 107.924 107.924 113.430 -5.506 25700 5490 1 10 . 1 1 63 63 GLY C C 63 172.475 172.475 173.163 -0.688 25700 5491 1 10 . 1 1 63 63 GLY CA C 63 43.668 43.668 44.551 -0.883 25700 5492 1 10 . 1 1 63 63 GLY H H 63 7.857 7.857 8.634 -0.777 25700 5493 1 10 . 1 1 64 64 ASN N N 64 116.073 116.073 118.285 -2.212 25700 5494 1 10 . 1 1 64 64 ASN HA H 64 4.530 4.530 4.697 -0.167 25700 5495 1 10 . 1 1 64 64 ASN C C 64 173.307 173.307 174.171 -0.864 25700 5496 1 10 . 1 1 64 64 ASN CA C 64 55.380 55.380 52.666 2.714 25700 5497 1 10 . 1 1 64 64 ASN CB C 64 39.159 39.159 38.587 0.572 25700 5498 1 10 . 1 1 64 64 ASN H H 64 8.933 8.933 8.009 0.924 25700 5499 1 10 . 1 1 65 65 VAL N N 65 126.612 126.612 125.918 0.694 25700 5500 1 10 . 1 1 65 65 VAL HA H 65 4.238 4.238 4.279 -0.041 25700 5501 1 10 . 1 1 65 65 VAL C C 65 173.538 173.538 174.552 -1.014 25700 5502 1 10 . 1 1 65 65 VAL CA C 65 61.970 61.970 61.319 0.651 25700 5503 1 10 . 1 1 65 65 VAL CB C 65 33.829 33.829 34.507 -0.678 25700 5504 1 10 . 1 1 65 65 VAL H H 65 8.548 8.548 8.956 -0.408 25700 5505 1 10 . 1 1 66 66 VAL N N 66 127.886 127.886 127.878 0.008 25700 5506 1 10 . 1 1 66 66 VAL HA H 66 4.990 4.990 4.498 0.492 25700 5507 1 10 . 1 1 66 66 VAL C C 66 175.271 175.271 175.857 -0.586 25700 5508 1 10 . 1 1 66 66 VAL CA C 66 61.360 61.360 61.196 0.164 25700 5509 1 10 . 1 1 66 66 VAL CB C 66 32.923 32.923 31.533 1.390 25700 5510 1 10 . 1 1 66 66 VAL H H 66 8.364 8.364 8.446 -0.082 25700 5511 1 10 . 1 1 67 67 LEU N N 67 126.454 126.454 127.606 -1.152 25700 5512 1 10 . 1 1 67 67 LEU HA H 67 4.955 4.955 4.694 0.261 25700 5513 1 10 . 1 1 67 67 LEU C C 67 176.547 176.547 176.273 0.274 25700 5514 1 10 . 1 1 67 67 LEU CA C 67 52.492 52.492 52.144 0.348 25700 5515 1 10 . 1 1 67 67 LEU CB C 67 46.685 46.685 43.175 3.510 25700 5516 1 10 . 1 1 67 67 LEU H H 67 9.050 9.050 9.087 -0.037 25700 5517 1 10 . 1 1 68 68 ASP N N 68 119.799 119.799 118.951 0.848 25700 5518 1 10 . 1 1 68 68 ASP HA H 68 4.609 4.609 4.461 0.148 25700 5519 1 10 . 1 1 68 68 ASP C C 68 176.247 176.247 175.683 0.564 25700 5520 1 10 . 1 1 68 68 ASP CA C 68 55.492 55.492 53.632 1.860 25700 5521 1 10 . 1 1 68 68 ASP CB C 68 40.566 40.566 41.123 -0.557 25700 5522 1 10 . 1 1 68 68 ASP H H 68 8.722 8.722 8.548 0.174 25700 5523 1 10 . 1 1 69 69 TYR N N 69 123.398 123.398 126.053 -2.655 25700 5524 1 10 . 1 1 69 69 TYR HA H 69 4.651 4.651 4.493 0.158 25700 5525 1 10 . 1 1 69 69 TYR C C 69 174.253 174.253 173.955 0.298 25700 5526 1 10 . 1 1 69 69 TYR CA C 69 57.767 57.767 58.672 -0.905 25700 5527 1 10 . 1 1 69 69 TYR CB C 69 40.067 40.067 38.864 1.203 25700 5528 1 10 . 1 1 69 69 TYR H H 69 8.603 8.603 8.005 0.598 25700 5529 1 10 . 1 1 70 70 SER N N 70 121.308 121.308 122.502 -1.194 25700 5530 1 10 . 1 1 70 70 SER HA H 70 4.059 4.059 4.102 -0.043 25700 5531 1 10 . 1 1 70 70 SER C C 70 174.851 174.851 174.047 0.804 25700 5532 1 10 . 1 1 70 70 SER CA C 70 56.341 56.341 56.546 -0.205 25700 5533 1 10 . 1 1 70 70 SER CB C 70 64.634 64.634 65.399 -0.765 25700 5534 1 10 . 1 1 70 70 SER H H 70 6.749 6.749 8.249 -1.500 25700 5535 1 10 . 1 1 71 71 SER N N 71 122.764 122.764 118.223 4.541 25700 5536 1 10 . 1 1 71 71 SER HA H 71 4.221 4.221 4.350 -0.129 25700 5537 1 10 . 1 1 71 71 SER C C 71 174.098 174.098 175.453 -1.355 25700 5538 1 10 . 1 1 71 71 SER CA C 71 60.326 60.326 60.302 0.024 25700 5539 1 10 . 1 1 71 71 SER CB C 71 62.814 62.814 62.896 -0.082 25700 5540 1 10 . 1 1 71 71 SER H H 71 8.907 8.907 8.330 0.577 25700 5541 1 10 . 1 1 72 72 ALA N N 72 122.199 122.199 121.002 1.197 25700 5542 1 10 . 1 1 72 72 ALA HA H 72 4.320 4.320 4.442 -0.122 25700 5543 1 10 . 1 1 72 72 ALA C C 72 177.749 177.749 177.086 0.663 25700 5544 1 10 . 1 1 72 72 ALA CA C 72 52.283 52.283 51.460 0.823 25700 5545 1 10 . 1 1 72 72 ALA CB C 72 18.950 18.950 18.815 0.135 25700 5546 1 10 . 1 1 72 72 ALA H H 72 7.869 7.869 7.946 -0.077 25700 5547 1 10 . 1 1 73 73 ASN N N 73 116.297 116.297 117.926 -1.629 25700 5548 1 10 . 1 1 73 73 ASN HA H 73 5.076 5.076 4.474 0.602 25700 5549 1 10 . 1 1 73 73 ASN C C 73 173.794 173.794 174.491 -0.697 25700 5550 1 10 . 1 1 73 73 ASN CA C 73 51.612 51.612 52.748 -1.136 25700 5551 1 10 . 1 1 73 73 ASN CB C 73 40.647 40.647 38.723 1.924 25700 5552 1 10 . 1 1 73 73 ASN H H 73 7.265 7.265 7.566 -0.301 25700 5553 1 10 . 1 1 74 74 ARG N N 74 118.937 118.937 124.308 -5.371 25700 5554 1 10 . 1 1 74 74 ARG HA H 74 4.684 4.684 4.237 0.447 25700 5555 1 10 . 1 1 74 74 ARG C C 74 174.943 174.943 174.312 0.631 25700 5556 1 10 . 1 1 74 74 ARG CA C 74 54.523 54.523 54.908 -0.385 25700 5557 1 10 . 1 1 74 74 ARG CB C 74 32.331 32.331 29.289 3.042 25700 5558 1 10 . 1 1 74 74 ARG H H 74 8.529 8.529 7.998 0.531 25700 5559 1 10 . 1 1 75 75 TYR N N 75 122.282 122.282 124.474 -2.192 25700 5560 1 10 . 1 1 75 75 TYR HA H 75 5.159 5.159 5.235 -0.076 25700 5561 1 10 . 1 1 75 75 TYR C C 75 173.593 173.593 174.202 -0.609 25700 5562 1 10 . 1 1 75 75 TYR CA C 75 57.080 57.080 56.474 0.606 25700 5563 1 10 . 1 1 75 75 TYR CB C 75 41.202 41.202 40.630 0.572 25700 5564 1 10 . 1 1 75 75 TYR H H 75 8.691 8.691 8.049 0.642 25700 5565 1 10 . 1 1 76 76 ALA N N 76 122.606 122.606 124.678 -2.072 25700 5566 1 10 . 1 1 76 76 ALA HA H 76 4.788 4.788 4.972 -0.184 25700 5567 1 10 . 1 1 76 76 ALA C C 76 175.765 175.765 174.878 0.887 25700 5568 1 10 . 1 1 76 76 ALA CA C 76 50.543 50.543 49.952 0.591 25700 5569 1 10 . 1 1 76 76 ALA CB C 76 23.070 23.070 22.947 0.123 25700 5570 1 10 . 1 1 76 76 ALA H H 76 8.688 8.688 9.368 -0.680 25700 5571 1 10 . 1 1 77 77 ALA N N 77 119.325 119.325 120.764 -1.439 25700 5572 1 10 . 1 1 77 77 ALA HA H 77 5.488 5.488 5.270 0.218 25700 5573 1 10 . 1 1 77 77 ALA C C 77 174.473 174.473 175.419 -0.946 25700 5574 1 10 . 1 1 77 77 ALA CA C 77 51.813 51.813 51.200 0.613 25700 5575 1 10 . 1 1 77 77 ALA CB C 77 24.137 24.137 22.940 1.197 25700 5576 1 10 . 1 1 77 77 ALA H H 77 8.584 8.584 8.241 0.343 25700 5577 1 10 . 1 1 78 78 ARG N N 78 122.822 122.822 119.025 3.797 25700 5578 1 10 . 1 1 78 78 ARG HA H 78 4.938 4.938 5.555 -0.617 25700 5579 1 10 . 1 1 78 78 ARG C C 78 173.170 173.170 174.011 -0.841 25700 5580 1 10 . 1 1 78 78 ARG CA C 78 54.890 54.890 55.290 -0.400 25700 5581 1 10 . 1 1 78 78 ARG CB C 78 34.467 34.467 32.800 1.667 25700 5582 1 10 . 1 1 78 78 ARG H H 78 8.807 8.807 9.204 -0.397 25700 5583 1 10 . 1 1 79 79 LEU N N 79 130.548 130.548 127.360 3.188 25700 5584 1 10 . 1 1 79 79 LEU HA H 79 5.440 5.440 5.389 0.051 25700 5585 1 10 . 1 1 79 79 LEU C C 79 173.434 173.434 174.739 -1.305 25700 5586 1 10 . 1 1 79 79 LEU CA C 79 53.186 53.186 53.369 -0.183 25700 5587 1 10 . 1 1 79 79 LEU CB C 79 45.369 45.369 45.753 -0.384 25700 5588 1 10 . 1 1 79 79 LEU H H 79 9.055 9.055 8.778 0.277 25700 5589 1 10 . 1 1 80 80 ASP N N 80 125.928 125.928 128.787 -2.859 25700 5590 1 10 . 1 1 80 80 ASP HA H 80 5.480 5.480 5.449 0.031 25700 5591 1 10 . 1 1 80 80 ASP C C 80 175.805 175.805 175.407 0.398 25700 5592 1 10 . 1 1 80 80 ASP CA C 80 53.794 53.794 53.992 -0.198 25700 5593 1 10 . 1 1 80 80 ASP CB C 80 44.119 44.119 42.590 1.529 25700 5594 1 10 . 1 1 80 80 ASP H H 80 9.251 9.251 9.278 -0.027 25700 5595 1 10 . 1 1 81 81 VAL N N 81 123.295 123.295 126.681 -3.386 25700 5596 1 10 . 1 1 81 81 VAL HA H 81 4.843 4.843 4.455 0.388 25700 5597 1 10 . 1 1 81 81 VAL C C 81 174.136 174.136 174.706 -0.570 25700 5598 1 10 . 1 1 81 81 VAL CA C 81 61.438 61.438 61.313 0.125 25700 5599 1 10 . 1 1 81 81 VAL CB C 81 35.299 35.299 32.111 3.188 25700 5600 1 10 . 1 1 81 81 VAL H H 81 8.947 8.947 8.713 0.234 25700 5601 1 10 . 1 1 82 82 SER N N 82 122.698 122.698 123.909 -1.211 25700 5602 1 10 . 1 1 82 82 SER HA H 82 5.380 5.380 5.427 -0.047 25700 5603 1 10 . 1 1 82 82 SER C C 82 173.016 173.016 172.881 0.135 25700 5604 1 10 . 1 1 82 82 SER CA C 82 57.195 57.195 57.237 -0.042 25700 5605 1 10 . 1 1 82 82 SER CB C 82 64.477 64.477 64.563 -0.086 25700 5606 1 10 . 1 1 82 82 SER H H 82 9.026 9.026 8.820 0.206 25700 5607 1 10 . 1 1 83 83 PHE N N 83 127.305 127.305 129.655 -2.350 25700 5608 1 10 . 1 1 83 83 PHE HA H 83 4.781 4.781 4.947 -0.166 25700 5609 1 10 . 1 1 83 83 PHE C C 83 174.741 174.741 174.876 -0.135 25700 5610 1 10 . 1 1 83 83 PHE CA C 83 57.376 57.376 57.415 -0.039 25700 5611 1 10 . 1 1 83 83 PHE CB C 83 42.094 42.094 40.974 1.120 25700 5612 1 10 . 1 1 83 83 PHE H H 83 9.012 9.012 9.030 -0.018 25700 5613 1 10 . 1 1 84 84 GLY N N 84 117.337 117.337 117.190 0.147 25700 5614 1 10 . 1 1 84 84 GLY C C 84 175.295 175.295 174.805 0.490 25700 5615 1 10 . 1 1 84 84 GLY CA C 84 47.086 47.086 46.406 0.680 25700 5616 1 10 . 1 1 84 84 GLY H H 84 8.784 8.784 8.631 0.153 25700 5617 1 10 . 1 1 85 85 SER N N 85 120.553 120.553 119.382 1.171 25700 5618 1 10 . 1 1 85 85 SER HA H 85 4.383 4.383 4.511 -0.128 25700 5619 1 10 . 1 1 85 85 SER C C 85 173.796 173.796 174.734 -0.938 25700 5620 1 10 . 1 1 85 85 SER CA C 85 59.095 59.095 57.942 1.153 25700 5621 1 10 . 1 1 85 85 SER CB C 85 63.360 63.360 64.120 -0.760 25700 5622 1 10 . 1 1 85 85 SER H H 85 8.687 8.687 8.346 0.341 25700 5623 1 10 . 1 1 86 86 VAL N N 86 121.297 121.297 123.186 -1.889 25700 5624 1 10 . 1 1 86 86 VAL HA H 86 4.504 4.504 4.306 0.198 25700 5625 1 10 . 1 1 86 86 VAL C C 86 174.888 174.888 173.826 1.062 25700 5626 1 10 . 1 1 86 86 VAL CA C 86 61.610 61.610 61.895 -0.285 25700 5627 1 10 . 1 1 86 86 VAL CB C 86 34.210 34.210 33.414 0.796 25700 5628 1 10 . 1 1 86 86 VAL H H 86 7.963 7.963 7.556 0.407 25700 5629 1 10 . 1 1 87 87 THR N N 87 119.631 119.631 123.730 -4.099 25700 5630 1 10 . 1 1 87 87 THR HA H 87 5.551 5.551 5.529 0.022 25700 5631 1 10 . 1 1 87 87 THR C C 87 174.271 174.271 173.499 0.772 25700 5632 1 10 . 1 1 87 87 THR CA C 87 60.550 60.550 61.282 -0.732 25700 5633 1 10 . 1 1 87 87 THR CB C 87 71.350 71.350 70.080 1.270 25700 5634 1 10 . 1 1 87 87 THR H H 87 8.302 8.302 8.413 -0.111 25700 5635 1 10 . 1 1 88 88 ILE N N 88 118.811 118.811 122.255 -3.444 25700 5636 1 10 . 1 1 88 88 ILE HA H 88 4.858 4.858 4.805 0.053 25700 5637 1 10 . 1 1 88 88 ILE C C 88 174.300 174.300 173.399 0.901 25700 5638 1 10 . 1 1 88 88 ILE CA C 88 59.380 59.380 59.045 0.334 25700 5639 1 10 . 1 1 88 88 ILE CB C 88 43.170 43.170 42.488 0.682 25700 5640 1 10 . 1 1 88 88 ILE H H 88 8.986 8.986 8.848 0.138 25700 5641 1 10 . 1 1 89 89 GLN N N 89 120.806 120.806 118.253 2.553 25700 5642 1 10 . 1 1 89 89 GLN HA H 89 5.814 5.814 5.679 0.135 25700 5643 1 10 . 1 1 89 89 GLN C C 89 175.021 175.021 174.790 0.231 25700 5644 1 10 . 1 1 89 89 GLN CA C 89 54.171 54.171 54.463 -0.292 25700 5645 1 10 . 1 1 89 89 GLN CB C 89 34.262 34.262 32.756 1.506 25700 5646 1 10 . 1 1 89 89 GLN H H 89 8.481 8.481 8.355 0.126 25700 5647 1 10 . 1 1 90 90 CYS N N 90 118.531 118.531 117.628 0.903 25700 5648 1 10 . 1 1 90 90 CYS HA H 90 5.010 5.010 4.841 0.169 25700 5649 1 10 . 1 1 90 90 CYS C C 90 172.402 172.402 172.926 -0.524 25700 5650 1 10 . 1 1 90 90 CYS CA C 90 54.874 54.874 56.813 -1.939 25700 5651 1 10 . 1 1 90 90 CYS CB C 90 50.267 50.267 31.127 19.140 25700 5652 1 10 . 1 1 90 90 CYS H H 90 9.151 9.151 8.823 0.328 25700 5653 1 10 . 1 1 91 91 ASN N N 91 116.449 116.449 118.629 -2.180 25700 5654 1 10 . 1 1 91 91 ASN HA H 91 5.615 5.615 5.672 -0.057 25700 5655 1 10 . 1 1 91 91 ASN C C 91 174.994 174.994 173.960 1.034 25700 5656 1 10 . 1 1 91 91 ASN CA C 91 52.484 52.484 52.115 0.369 25700 5657 1 10 . 1 1 91 91 ASN CB C 91 43.331 43.331 41.615 1.716 25700 5658 1 10 . 1 1 91 91 ASN H H 91 8.791 8.791 8.263 0.528 25700 5659 1 10 . 1 1 92 92 LEU N N 92 123.391 123.391 123.318 0.073 25700 5660 1 10 . 1 1 92 92 LEU HA H 92 4.286 4.286 4.367 -0.081 25700 5661 1 10 . 1 1 92 92 LEU C C 92 176.188 176.188 176.424 -0.236 25700 5662 1 10 . 1 1 92 92 LEU CA C 92 54.863 54.863 54.956 -0.093 25700 5663 1 10 . 1 1 92 92 LEU CB C 92 45.064 45.064 42.819 2.245 25700 5664 1 10 . 1 1 92 92 LEU H H 92 8.597 8.597 8.671 -0.074 25700 5665 1 10 . 1 1 93 93 ASP N N 93 129.020 129.020 128.648 0.372 25700 5666 1 10 . 1 1 93 93 ASP HA H 93 5.160 5.160 4.920 0.240 25700 5667 1 10 . 1 1 93 93 ASP C C 93 175.761 175.761 175.386 0.375 25700 5668 1 10 . 1 1 93 93 ASP CA C 93 50.948 50.948 52.758 -1.810 25700 5669 1 10 . 1 1 93 93 ASP CB C 93 41.136 41.136 42.023 -0.887 25700 5670 1 10 . 1 1 93 93 ASP H H 93 9.146 9.146 8.661 0.485 25700 5671 1 10 . 1 1 94 94 PRO HA H 94 4.304 4.304 4.627 -0.323 25700 5672 1 10 . 1 1 94 94 PRO C C 94 178.637 178.637 177.849 0.788 25700 5673 1 10 . 1 1 94 94 PRO CA C 94 64.830 64.830 64.943 -0.113 25700 5674 1 10 . 1 1 94 94 PRO CB C 94 32.579 32.579 32.136 0.443 25700 5675 1 10 . 1 1 95 95 GLU N N 95 116.747 116.747 114.850 1.897 25700 5676 1 10 . 1 1 95 95 GLU HA H 95 4.223 4.223 4.170 0.053 25700 5677 1 10 . 1 1 95 95 GLU C C 95 177.994 177.994 177.737 0.257 25700 5678 1 10 . 1 1 95 95 GLU CA C 95 57.773 57.773 58.027 -0.254 25700 5679 1 10 . 1 1 95 95 GLU CB C 95 29.084 29.084 29.050 0.034 25700 5680 1 10 . 1 1 95 95 GLU H H 95 8.358 8.358 8.603 -0.245 25700 5681 1 10 . 1 1 96 96 THR N N 96 109.182 109.182 109.407 -0.225 25700 5682 1 10 . 1 1 96 96 THR HA H 96 4.169 4.169 4.623 -0.454 25700 5683 1 10 . 1 1 96 96 THR C C 96 175.238 175.238 175.583 -0.345 25700 5684 1 10 . 1 1 96 96 THR CA C 96 63.038 63.038 63.486 -0.448 25700 5685 1 10 . 1 1 96 96 THR CB C 96 69.640 69.640 69.913 -0.273 25700 5686 1 10 . 1 1 96 96 THR H H 96 7.951 7.951 7.965 -0.014 25700 5687 1 10 . 1 1 97 97 VAL N N 97 121.118 121.118 122.224 -1.106 25700 5688 1 10 . 1 1 97 97 VAL HA H 97 3.770 3.770 3.800 -0.030 25700 5689 1 10 . 1 1 97 97 VAL C C 97 174.851 174.851 175.806 -0.955 25700 5690 1 10 . 1 1 97 97 VAL CA C 97 63.272 63.272 64.969 -1.697 25700 5691 1 10 . 1 1 97 97 VAL CB C 97 30.627 30.627 31.362 -0.735 25700 5692 1 10 . 1 1 97 97 VAL H H 97 7.175 7.175 7.362 -0.187 25700 5693 1 10 . 1 1 98 98 LYS N N 98 123.245 123.245 121.254 1.991 25700 5694 1 10 . 1 1 98 98 LYS HA H 98 4.385 4.385 4.257 0.128 25700 5695 1 10 . 1 1 98 98 LYS C C 98 175.612 175.612 175.761 -0.149 25700 5696 1 10 . 1 1 98 98 LYS CA C 98 55.812 55.812 56.461 -0.649 25700 5697 1 10 . 1 1 98 98 LYS CB C 98 33.804 33.804 30.257 3.547 25700 5698 1 10 . 1 1 98 98 LYS H H 98 7.712 7.712 7.999 -0.287 25700 5699 1 10 . 1 1 99 99 LEU N N 99 122.457 122.457 119.053 3.404 25700 5700 1 10 . 1 1 99 99 LEU HA H 99 4.123 4.123 4.005 0.118 25700 5701 1 10 . 1 1 99 99 LEU C C 99 177.160 177.160 176.436 0.724 25700 5702 1 10 . 1 1 99 99 LEU CA C 99 55.309 55.309 55.413 -0.104 25700 5703 1 10 . 1 1 99 99 LEU CB C 99 42.319 42.319 39.153 3.166 25700 5704 1 10 . 1 1 99 99 LEU H H 99 8.110 8.110 8.635 -0.525 25700 5705 1 10 . 1 1 100 100 GLU N N 100 120.800 120.800 116.167 4.633 25700 5706 1 10 . 1 1 100 100 GLU HA H 100 4.151 4.151 3.995 0.156 25700 5707 1 10 . 1 1 100 100 GLU C C 100 176.070 176.070 175.089 0.981 25700 5708 1 10 . 1 1 100 100 GLU CA C 100 56.740 56.740 57.385 -0.644 25700 5709 1 10 . 1 1 100 100 GLU CB C 100 30.060 30.060 29.025 1.035 25700 5710 1 10 . 1 1 100 100 GLU H H 100 8.340 8.340 8.429 -0.089 25700 5711 1 11 . 1 1 2 2 VAL N N 2 123.080 123.080 120.732 2.348 25700 5712 1 11 . 1 1 2 2 VAL HA H 2 4.678 4.678 4.283 0.395 25700 5713 1 11 . 1 1 2 2 VAL C C 2 171.871 171.871 175.023 -3.152 25700 5714 1 11 . 1 1 2 2 VAL CA C 2 59.500 59.500 61.362 -1.862 25700 5715 1 11 . 1 1 2 2 VAL CB C 2 34.185 34.185 33.079 1.106 25700 5716 1 11 . 1 1 2 2 VAL H H 2 8.041 8.041 8.458 -0.417 25700 5717 1 11 . 1 1 3 3 GLN N N 3 123.080 123.080 121.733 1.347 25700 5718 1 11 . 1 1 3 3 GLN HA H 3 4.660 4.660 4.740 -0.080 25700 5719 1 11 . 1 1 3 3 GLN CA C 3 54.109 54.109 53.050 1.059 25700 5720 1 11 . 1 1 3 3 GLN CB C 3 33.338 33.338 32.901 0.437 25700 5721 1 11 . 1 1 3 3 GLN H H 3 8.126 8.126 8.951 -0.825 25700 5722 1 11 . 1 1 4 4 CYS N N 4 115.260 115.260 117.239 -1.979 25700 5723 1 11 . 1 1 4 4 CYS HA H 4 5.676 5.676 5.289 0.387 25700 5724 1 11 . 1 1 4 4 CYS C C 4 171.720 171.720 172.904 -1.184 25700 5725 1 11 . 1 1 4 4 CYS CA C 4 53.402 53.402 56.901 -3.499 25700 5726 1 11 . 1 1 4 4 CYS CB C 4 45.525 45.525 31.038 14.488 25700 5727 1 11 . 1 1 4 4 CYS H H 4 8.909 8.909 8.449 0.460 25700 5728 1 11 . 1 1 5 5 GLU N N 5 117.764 117.764 121.756 -3.992 25700 5729 1 11 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.787 -0.308 25700 5730 1 11 . 1 1 5 5 GLU C C 5 174.088 174.088 174.688 -0.600 25700 5731 1 11 . 1 1 5 5 GLU CA C 5 54.838 54.838 54.414 0.424 25700 5732 1 11 . 1 1 5 5 GLU CB C 5 34.155 34.155 34.166 -0.011 25700 5733 1 11 . 1 1 5 5 GLU H H 5 8.580 8.580 8.941 -0.361 25700 5734 1 11 . 1 1 6 6 VAL N N 6 120.471 120.471 114.607 5.864 25700 5735 1 11 . 1 1 6 6 VAL HA H 6 4.427 4.427 4.319 0.108 25700 5736 1 11 . 1 1 6 6 VAL C C 6 174.211 174.211 174.404 -0.193 25700 5737 1 11 . 1 1 6 6 VAL CA C 6 61.540 61.540 60.455 1.085 25700 5738 1 11 . 1 1 6 6 VAL CB C 6 32.618 32.618 33.798 -1.180 25700 5739 1 11 . 1 1 6 6 VAL H H 6 8.588 8.588 8.200 0.388 25700 5740 1 11 . 1 1 7 7 GLU N N 7 125.816 125.816 124.914 0.902 25700 5741 1 11 . 1 1 7 7 GLU HA H 7 4.548 4.548 4.786 -0.238 25700 5742 1 11 . 1 1 7 7 GLU C C 7 174.194 174.194 174.797 -0.603 25700 5743 1 11 . 1 1 7 7 GLU CA C 7 54.524 54.524 54.223 0.301 25700 5744 1 11 . 1 1 7 7 GLU CB C 7 33.291 33.291 34.425 -1.134 25700 5745 1 11 . 1 1 7 7 GLU H H 7 8.820 8.820 8.709 0.111 25700 5746 1 11 . 1 1 8 8 ALA N N 8 122.882 122.882 122.884 -0.002 25700 5747 1 11 . 1 1 8 8 ALA HA H 8 5.238 5.238 4.626 0.612 25700 5748 1 11 . 1 1 8 8 ALA C C 8 175.557 175.557 175.518 0.039 25700 5749 1 11 . 1 1 8 8 ALA CA C 8 49.950 49.950 51.216 -1.266 25700 5750 1 11 . 1 1 8 8 ALA CB C 8 22.730 22.730 21.403 1.327 25700 5751 1 11 . 1 1 8 8 ALA H H 8 8.410 8.410 8.461 -0.051 25700 5752 1 11 . 1 1 9 9 ALA N N 9 124.110 124.110 127.619 -3.509 25700 5753 1 11 . 1 1 9 9 ALA HA H 9 4.691 4.691 4.757 -0.066 25700 5754 1 11 . 1 1 9 9 ALA C C 9 176.300 176.300 175.734 0.566 25700 5755 1 11 . 1 1 9 9 ALA CA C 9 50.825 50.825 50.422 0.403 25700 5756 1 11 . 1 1 9 9 ALA CB C 9 21.240 21.240 20.168 1.072 25700 5757 1 11 . 1 1 9 9 ALA H H 9 8.407 8.407 9.135 -0.728 25700 5758 1 11 . 1 1 10 10 VAL N N 10 126.780 126.780 124.533 2.247 25700 5759 1 11 . 1 1 10 10 VAL HA H 10 4.379 4.379 3.951 0.428 25700 5760 1 11 . 1 1 10 10 VAL C C 10 175.717 175.717 175.660 0.057 25700 5761 1 11 . 1 1 10 10 VAL CA C 10 61.580 61.580 62.325 -0.745 25700 5762 1 11 . 1 1 10 10 VAL CB C 10 32.209 32.209 31.795 0.414 25700 5763 1 11 . 1 1 10 10 VAL H H 10 8.860 8.860 8.596 0.264 25700 5764 1 11 . 1 1 11 11 SER N N 11 120.868 120.868 121.995 -1.127 25700 5765 1 11 . 1 1 11 11 SER HA H 11 4.448 4.448 4.773 -0.325 25700 5766 1 11 . 1 1 11 11 SER C C 11 175.498 175.498 174.198 1.300 25700 5767 1 11 . 1 1 11 11 SER CA C 11 57.590 57.590 56.771 0.819 25700 5768 1 11 . 1 1 11 11 SER CB C 11 64.000 64.000 65.713 -1.713 25700 5769 1 11 . 1 1 11 11 SER H H 11 8.478 8.478 8.809 -0.331 25700 5770 1 11 . 1 1 12 12 GLY N N 12 116.896 116.896 108.384 8.512 25700 5771 1 11 . 1 1 12 12 GLY C C 12 174.994 174.994 174.641 0.353 25700 5772 1 11 . 1 1 12 12 GLY CA C 12 47.515 47.515 45.733 1.782 25700 5773 1 11 . 1 1 12 12 GLY H H 12 9.120 9.120 8.620 0.500 25700 5774 1 11 . 1 1 13 13 GLY N N 13 108.984 108.984 114.080 -5.096 25700 5775 1 11 . 1 1 13 13 GLY C C 13 174.440 174.440 173.502 0.938 25700 5776 1 11 . 1 1 13 13 GLY CA C 13 45.383 45.383 44.903 0.480 25700 5777 1 11 . 1 1 13 13 GLY H H 13 8.816 8.816 8.467 0.349 25700 5778 1 11 . 1 1 14 14 HIS N N 14 118.737 118.737 118.579 0.158 25700 5779 1 11 . 1 1 14 14 HIS HA H 14 5.458 5.458 5.311 0.147 25700 5780 1 11 . 1 1 14 14 HIS C C 14 172.243 172.243 172.721 -0.478 25700 5781 1 11 . 1 1 14 14 HIS CA C 14 54.905 54.905 55.608 -0.703 25700 5782 1 11 . 1 1 14 14 HIS CB C 14 32.311 32.311 34.298 -1.987 25700 5783 1 11 . 1 1 14 14 HIS H H 14 8.084 8.084 7.601 0.483 25700 5784 1 11 . 1 1 15 15 VAL N N 15 120.204 120.204 123.328 -3.124 25700 5785 1 11 . 1 1 15 15 VAL HA H 15 4.932 4.932 4.551 0.381 25700 5786 1 11 . 1 1 15 15 VAL C C 15 172.314 172.314 174.111 -1.797 25700 5787 1 11 . 1 1 15 15 VAL CA C 15 58.540 58.540 60.271 -1.731 25700 5788 1 11 . 1 1 15 15 VAL CB C 15 34.285 34.285 34.781 -0.496 25700 5789 1 11 . 1 1 15 15 VAL H H 15 9.369 9.369 9.085 0.284 25700 5790 1 11 . 1 1 16 16 THR N N 16 123.685 123.685 126.668 -2.983 25700 5791 1 11 . 1 1 16 16 THR HA H 16 5.220 5.220 4.835 0.385 25700 5792 1 11 . 1 1 16 16 THR C C 16 174.478 174.478 172.905 1.573 25700 5793 1 11 . 1 1 16 16 THR CA C 16 61.481 61.481 62.558 -1.077 25700 5794 1 11 . 1 1 16 16 THR CB C 16 70.017 70.017 69.412 0.605 25700 5795 1 11 . 1 1 16 16 THR H H 16 8.604 8.604 9.102 -0.498 25700 5796 1 11 . 1 1 17 17 LEU N N 17 128.958 128.958 129.134 -0.176 25700 5797 1 11 . 1 1 17 17 LEU HA H 17 5.407 5.407 4.625 0.782 25700 5798 1 11 . 1 1 17 17 LEU C C 17 174.481 174.481 174.087 0.394 25700 5799 1 11 . 1 1 17 17 LEU CA C 17 53.999 53.999 53.862 0.137 25700 5800 1 11 . 1 1 17 17 LEU CB C 17 44.108 44.108 44.964 -0.856 25700 5801 1 11 . 1 1 17 17 LEU H H 17 9.627 9.627 9.280 0.347 25700 5802 1 11 . 1 1 18 18 GLN N N 18 115.227 115.227 120.359 -5.132 25700 5803 1 11 . 1 1 18 18 GLN HA H 18 4.465 4.465 4.920 -0.455 25700 5804 1 11 . 1 1 18 18 GLN C C 18 174.042 174.042 174.083 -0.041 25700 5805 1 11 . 1 1 18 18 GLN CA C 18 53.725 53.725 54.224 -0.499 25700 5806 1 11 . 1 1 18 18 GLN CB C 18 31.767 31.767 32.539 -0.772 25700 5807 1 11 . 1 1 18 18 GLN H H 18 8.243 8.243 8.442 -0.199 25700 5808 1 11 . 1 1 19 19 GLY N N 19 107.795 107.795 107.163 0.632 25700 5809 1 11 . 1 1 19 19 GLY C C 19 172.005 172.005 172.574 -0.569 25700 5810 1 11 . 1 1 19 19 GLY CA C 19 44.485 44.485 43.551 0.934 25700 5811 1 11 . 1 1 19 19 GLY H H 19 9.100 9.100 8.910 0.190 25700 5812 1 11 . 1 1 20 20 VAL N N 20 120.951 120.951 126.351 -5.400 25700 5813 1 11 . 1 1 20 20 VAL HA H 20 4.634 4.634 4.128 0.506 25700 5814 1 11 . 1 1 20 20 VAL C C 20 175.670 175.670 175.038 0.632 25700 5815 1 11 . 1 1 20 20 VAL CA C 20 61.380 61.380 62.140 -0.760 25700 5816 1 11 . 1 1 20 20 VAL CB C 20 33.990 33.990 32.101 1.889 25700 5817 1 11 . 1 1 20 20 VAL H H 20 8.859 8.859 8.579 0.280 25700 5818 1 11 . 1 1 21 21 ILE N N 21 129.511 129.511 130.691 -1.180 25700 5819 1 11 . 1 1 21 21 ILE HA H 21 4.443 4.443 4.521 -0.078 25700 5820 1 11 . 1 1 21 21 ILE C C 21 174.567 174.567 175.575 -1.008 25700 5821 1 11 . 1 1 21 21 ILE CA C 21 59.883 59.883 60.350 -0.467 25700 5822 1 11 . 1 1 21 21 ILE CB C 21 41.152 41.152 38.845 2.307 25700 5823 1 11 . 1 1 21 21 ILE H H 21 9.304 9.304 9.197 0.107 25700 5824 1 11 . 1 1 22 22 THR N N 22 120.311 120.311 125.689 -5.378 25700 5825 1 11 . 1 1 22 22 THR HA H 22 4.479 4.479 4.962 -0.483 25700 5826 1 11 . 1 1 22 22 THR C C 22 172.996 172.996 173.392 -0.396 25700 5827 1 11 . 1 1 22 22 THR CA C 22 61.647 61.647 62.473 -0.826 25700 5828 1 11 . 1 1 22 22 THR CB C 22 70.230 70.230 69.549 0.681 25700 5829 1 11 . 1 1 22 22 THR H H 22 8.063 8.063 8.575 -0.512 25700 5830 1 11 . 1 1 23 23 ALA N N 23 104.959 104.959 129.667 -24.708 25700 5831 1 11 . 1 1 23 23 ALA HA H 23 5.056 5.056 4.813 0.243 25700 5832 1 11 . 1 1 23 23 ALA C C 23 177.722 177.722 177.134 0.588 25700 5833 1 11 . 1 1 23 23 ALA CA C 23 49.963 49.963 50.287 -0.324 25700 5834 1 11 . 1 1 23 23 ALA CB C 23 22.915 22.915 21.188 1.727 25700 5835 1 11 . 1 1 23 23 ALA H H 23 9.764 9.764 8.670 1.094 25700 5836 1 11 . 1 1 24 24 VAL N N 24 113.370 113.370 123.098 -9.728 25700 5837 1 11 . 1 1 24 24 VAL HA H 24 4.083 4.083 3.928 0.155 25700 5838 1 11 . 1 1 24 24 VAL C C 24 174.539 174.539 175.399 -0.860 25700 5839 1 11 . 1 1 24 24 VAL CA C 24 62.339 62.339 64.447 -2.107 25700 5840 1 11 . 1 1 24 24 VAL CB C 24 31.933 31.933 31.856 0.077 25700 5841 1 11 . 1 1 24 24 VAL H H 24 8.239 8.239 8.212 0.027 25700 5842 1 11 . 1 1 25 25 ARG N N 25 116.002 116.002 118.939 -2.937 25700 5843 1 11 . 1 1 25 25 ARG HA H 25 4.740 4.740 4.549 0.191 25700 5844 1 11 . 1 1 25 25 ARG C C 25 172.797 172.797 174.689 -1.892 25700 5845 1 11 . 1 1 25 25 ARG CA C 25 53.284 53.284 53.637 -0.353 25700 5846 1 11 . 1 1 25 25 ARG CB C 25 33.542 33.542 32.862 0.680 25700 5847 1 11 . 1 1 25 25 ARG H H 25 7.308 7.308 7.809 -0.501 25700 5848 1 11 . 1 1 26 26 ASP N N 26 118.075 118.075 122.302 -4.227 25700 5849 1 11 . 1 1 26 26 ASP HA H 26 4.665 4.665 5.166 -0.501 25700 5850 1 11 . 1 1 26 26 ASP C C 26 177.721 177.721 176.473 1.248 25700 5851 1 11 . 1 1 26 26 ASP CA C 26 53.911 53.911 53.849 0.062 25700 5852 1 11 . 1 1 26 26 ASP CB C 26 41.143 41.143 41.712 -0.569 25700 5853 1 11 . 1 1 26 26 ASP H H 26 8.301 8.301 8.495 -0.194 25700 5854 1 11 . 1 1 27 27 GLY N N 27 106.966 106.966 108.294 -1.328 25700 5855 1 11 . 1 1 27 27 GLY C C 27 170.472 170.472 172.174 -1.702 25700 5856 1 11 . 1 1 27 27 GLY CA C 27 46.213 46.213 44.853 1.360 25700 5857 1 11 . 1 1 27 27 GLY H H 27 8.276 8.276 8.650 -0.374 25700 5858 1 11 . 1 1 28 28 ALA N N 28 122.805 122.805 123.652 -0.847 25700 5859 1 11 . 1 1 28 28 ALA HA H 28 4.898 4.898 4.976 -0.078 25700 5860 1 11 . 1 1 28 28 ALA C C 28 176.720 176.720 175.641 1.079 25700 5861 1 11 . 1 1 28 28 ALA CA C 28 50.756 50.756 51.105 -0.349 25700 5862 1 11 . 1 1 28 28 ALA CB C 28 21.482 21.482 21.704 -0.222 25700 5863 1 11 . 1 1 28 28 ALA H H 28 8.065 8.065 8.165 -0.100 25700 5864 1 11 . 1 1 29 29 GLY N N 29 106.538 106.538 107.375 -0.837 25700 5865 1 11 . 1 1 29 29 GLY C C 29 172.866 172.866 170.945 1.921 25700 5866 1 11 . 1 1 29 29 GLY CA C 29 45.538 45.538 43.150 2.388 25700 5867 1 11 . 1 1 29 29 GLY H H 29 7.654 7.654 8.701 -1.047 25700 5868 1 11 . 1 1 30 30 SER N N 30 116.216 116.216 113.399 2.817 25700 5869 1 11 . 1 1 30 30 SER HA H 30 5.564 5.564 4.713 0.851 25700 5870 1 11 . 1 1 30 30 SER C C 30 172.216 172.216 172.676 -0.460 25700 5871 1 11 . 1 1 30 30 SER CA C 30 57.505 57.505 56.534 0.971 25700 5872 1 11 . 1 1 30 30 SER CB C 30 66.321 66.321 65.395 0.926 25700 5873 1 11 . 1 1 30 30 SER H H 30 9.185 9.185 7.741 1.444 25700 5874 1 11 . 1 1 31 31 TYR N N 31 118.467 118.467 117.083 1.384 25700 5875 1 11 . 1 1 31 31 TYR HA H 31 6.035 6.035 5.187 0.848 25700 5876 1 11 . 1 1 31 31 TYR C C 31 174.138 174.138 173.849 0.289 25700 5877 1 11 . 1 1 31 31 TYR CA C 31 55.806 55.806 56.381 -0.575 25700 5878 1 11 . 1 1 31 31 TYR CB C 31 43.091 43.091 41.526 1.565 25700 5879 1 11 . 1 1 31 31 TYR H H 31 9.215 9.215 8.735 0.480 25700 5880 1 11 . 1 1 32 32 LYS N N 32 121.086 121.086 119.539 1.547 25700 5881 1 11 . 1 1 32 32 LYS HA H 32 4.772 4.772 4.984 -0.212 25700 5882 1 11 . 1 1 32 32 LYS C C 32 173.750 173.750 174.335 -0.585 25700 5883 1 11 . 1 1 32 32 LYS CA C 32 56.495 56.495 55.473 1.022 25700 5884 1 11 . 1 1 32 32 LYS CB C 32 35.800 35.800 34.840 0.960 25700 5885 1 11 . 1 1 32 32 LYS H H 32 8.904 8.904 9.240 -0.336 25700 5886 1 11 . 1 1 33 33 LEU N N 33 128.296 128.296 127.434 0.862 25700 5887 1 11 . 1 1 33 33 LEU HA H 33 5.329 5.329 5.012 0.317 25700 5888 1 11 . 1 1 33 33 LEU C C 33 173.389 173.389 174.122 -0.733 25700 5889 1 11 . 1 1 33 33 LEU CA C 33 53.547 53.547 53.060 0.486 25700 5890 1 11 . 1 1 33 33 LEU CB C 33 45.460 45.460 44.226 1.234 25700 5891 1 11 . 1 1 33 33 LEU H H 33 9.663 9.663 9.105 0.558 25700 5892 1 11 . 1 1 34 34 ALA N N 34 129.791 129.791 130.905 -1.114 25700 5893 1 11 . 1 1 34 34 ALA HA H 34 5.419 5.419 5.024 0.395 25700 5894 1 11 . 1 1 34 34 ALA C C 34 176.313 176.313 175.462 0.851 25700 5895 1 11 . 1 1 34 34 ALA CA C 34 50.605 50.605 50.131 0.474 25700 5896 1 11 . 1 1 34 34 ALA CB C 34 21.237 21.237 22.088 -0.852 25700 5897 1 11 . 1 1 34 34 ALA H H 34 9.044 9.044 9.345 -0.301 25700 5898 1 11 . 1 1 35 35 VAL N N 35 124.532 124.532 123.789 0.743 25700 5899 1 11 . 1 1 35 35 VAL HA H 35 4.844 4.844 4.640 0.204 25700 5900 1 11 . 1 1 35 35 VAL C C 35 173.511 173.511 174.734 -1.223 25700 5901 1 11 . 1 1 35 35 VAL CA C 35 61.113 61.113 60.612 0.500 25700 5902 1 11 . 1 1 35 35 VAL CB C 35 35.152 35.152 34.127 1.025 25700 5903 1 11 . 1 1 35 35 VAL H H 35 9.332 9.332 8.755 0.577 25700 5904 1 11 . 1 1 36 36 ASP N N 36 127.077 127.077 127.028 0.049 25700 5905 1 11 . 1 1 36 36 ASP HA H 36 5.560 5.560 5.402 0.158 25700 5906 1 11 . 1 1 36 36 ASP C C 36 174.146 174.146 174.750 -0.604 25700 5907 1 11 . 1 1 36 36 ASP CA C 36 53.219 53.219 53.334 -0.115 25700 5908 1 11 . 1 1 36 36 ASP CB C 36 44.387 44.387 43.576 0.811 25700 5909 1 11 . 1 1 36 36 ASP H H 36 9.169 9.169 9.204 -0.035 25700 5910 1 11 . 1 1 37 37 LYS N N 37 122.568 122.568 125.760 -3.192 25700 5911 1 11 . 1 1 37 37 LYS HA H 37 4.673 4.673 5.400 -0.727 25700 5912 1 11 . 1 1 37 37 LYS C C 37 173.710 173.710 174.202 -0.492 25700 5913 1 11 . 1 1 37 37 LYS CA C 37 54.410 54.410 54.655 -0.245 25700 5914 1 11 . 1 1 37 37 LYS CB C 37 34.907 34.907 35.698 -0.791 25700 5915 1 11 . 1 1 37 37 LYS H H 37 8.665 8.665 8.615 0.050 25700 5916 1 11 . 1 1 38 38 ALA N N 38 130.221 130.221 129.134 1.087 25700 5917 1 11 . 1 1 38 38 ALA HA H 38 4.983 4.983 5.143 -0.160 25700 5918 1 11 . 1 1 38 38 ALA C C 38 176.141 176.141 175.264 0.877 25700 5919 1 11 . 1 1 38 38 ALA CA C 38 51.093 51.093 50.902 0.191 25700 5920 1 11 . 1 1 38 38 ALA CB C 38 21.778 21.778 21.456 0.323 25700 5921 1 11 . 1 1 38 38 ALA H H 38 8.798 8.798 9.177 -0.379 25700 5922 1 11 . 1 1 39 39 GLY N N 39 109.328 109.328 110.049 -0.721 25700 5923 1 11 . 1 1 39 39 GLY C C 39 174.208 174.208 174.278 -0.070 25700 5924 1 11 . 1 1 39 39 GLY CA C 39 44.645 44.645 44.447 0.198 25700 5925 1 11 . 1 1 39 39 GLY H H 39 7.851 7.851 8.534 -0.683 25700 5926 1 11 . 1 1 40 40 ALA N N 40 125.088 125.088 122.155 2.933 25700 5927 1 11 . 1 1 40 40 ALA HA H 40 4.051 4.051 4.167 -0.116 25700 5928 1 11 . 1 1 40 40 ALA C C 40 178.917 178.917 178.572 0.345 25700 5929 1 11 . 1 1 40 40 ALA CA C 40 54.841 54.841 54.201 0.640 25700 5930 1 11 . 1 1 40 40 ALA CB C 40 18.293 18.293 18.755 -0.462 25700 5931 1 11 . 1 1 40 40 ALA H H 40 8.766 8.766 8.507 0.259 25700 5932 1 11 . 1 1 41 41 ALA N N 41 117.569 117.569 120.297 -2.728 25700 5933 1 11 . 1 1 41 41 ALA HA H 41 4.419 4.419 4.511 -0.092 25700 5934 1 11 . 1 1 41 41 ALA C C 41 177.136 177.136 177.520 -0.384 25700 5935 1 11 . 1 1 41 41 ALA CA C 41 51.929 51.929 51.173 0.756 25700 5936 1 11 . 1 1 41 41 ALA CB C 41 18.774 18.774 18.575 0.199 25700 5937 1 11 . 1 1 41 41 ALA H H 41 8.300 8.300 7.960 0.340 25700 5938 1 11 . 1 1 42 42 GLY N N 42 106.796 106.796 107.065 -0.269 25700 5939 1 11 . 1 1 42 42 GLY C C 42 173.379 173.379 172.752 0.627 25700 5940 1 11 . 1 1 42 42 GLY CA C 42 44.336 44.336 44.267 0.069 25700 5941 1 11 . 1 1 42 42 GLY H H 42 7.577 7.577 7.532 0.045 25700 5942 1 11 . 1 1 43 43 THR N N 43 116.541 116.541 112.671 3.870 25700 5943 1 11 . 1 1 43 43 THR HA H 43 5.263 5.263 5.469 -0.206 25700 5944 1 11 . 1 1 43 43 THR C C 43 174.244 174.244 174.125 0.119 25700 5945 1 11 . 1 1 43 43 THR CA C 43 61.137 61.137 60.542 0.595 25700 5946 1 11 . 1 1 43 43 THR CB C 43 70.759 70.759 70.933 -0.174 25700 5947 1 11 . 1 1 43 43 THR H H 43 8.526 8.526 8.264 0.262 25700 5948 1 11 . 1 1 44 44 SER N N 44 120.903 120.903 116.507 4.396 25700 5949 1 11 . 1 1 44 44 SER HA H 44 4.759 4.759 4.730 0.029 25700 5950 1 11 . 1 1 44 44 SER C C 44 172.241 172.241 172.871 -0.630 25700 5951 1 11 . 1 1 44 44 SER CA C 44 57.340 57.340 57.792 -0.452 25700 5952 1 11 . 1 1 44 44 SER CB C 44 65.568 65.568 65.890 -0.322 25700 5953 1 11 . 1 1 44 44 SER H H 44 8.904 8.904 9.044 -0.140 25700 5954 1 11 . 1 1 45 45 ARG N N 45 124.546 124.546 123.892 0.654 25700 5955 1 11 . 1 1 45 45 ARG HA H 45 5.489 5.489 4.687 0.802 25700 5956 1 11 . 1 1 45 45 ARG C C 45 175.520 175.520 176.181 -0.661 25700 5957 1 11 . 1 1 45 45 ARG CA C 45 55.101 55.101 54.945 0.156 25700 5958 1 11 . 1 1 45 45 ARG CB C 45 32.760 32.760 30.439 2.321 25700 5959 1 11 . 1 1 45 45 ARG H H 45 8.579 8.579 8.578 0.001 25700 5960 1 11 . 1 1 46 46 ILE N N 46 127.920 127.920 126.983 0.937 25700 5961 1 11 . 1 1 46 46 ILE HA H 46 4.460 4.460 4.351 0.109 25700 5962 1 11 . 1 1 46 46 ILE C C 46 174.450 174.450 174.509 -0.059 25700 5963 1 11 . 1 1 46 46 ILE CA C 46 60.220 60.220 60.335 -0.115 25700 5964 1 11 . 1 1 46 46 ILE CB C 46 41.290 41.290 40.517 0.773 25700 5965 1 11 . 1 1 46 46 ILE H H 46 9.344 9.344 9.107 0.237 25700 5966 1 11 . 1 1 47 47 LYS N N 47 126.061 126.061 127.152 -1.091 25700 5967 1 11 . 1 1 47 47 LYS HA H 47 5.514 5.514 4.750 0.764 25700 5968 1 11 . 1 1 47 47 LYS C C 47 175.790 175.790 175.150 0.640 25700 5969 1 11 . 1 1 47 47 LYS CA C 47 54.870 54.870 55.913 -1.043 25700 5970 1 11 . 1 1 47 47 LYS CB C 47 35.386 35.386 34.913 0.473 25700 5971 1 11 . 1 1 47 47 LYS H H 47 8.734 8.734 8.564 0.170 25700 5972 1 11 . 1 1 48 48 GLN N N 48 122.633 122.633 127.160 -4.527 25700 5973 1 11 . 1 1 48 48 GLN HA H 48 4.669 4.669 4.645 0.024 25700 5974 1 11 . 1 1 48 48 GLN C C 48 173.659 173.659 173.787 -0.128 25700 5975 1 11 . 1 1 48 48 GLN CA C 48 54.895 54.895 54.927 -0.032 25700 5976 1 11 . 1 1 48 48 GLN CB C 48 33.072 33.072 32.037 1.035 25700 5977 1 11 . 1 1 48 48 GLN H H 48 9.228 9.228 9.096 0.132 25700 5978 1 11 . 1 1 49 49 ALA N N 49 125.634 125.634 126.023 -0.389 25700 5979 1 11 . 1 1 49 49 ALA HA H 49 4.544 4.544 5.338 -0.794 25700 5980 1 11 . 1 1 49 49 ALA C C 49 175.881 175.881 176.165 -0.284 25700 5981 1 11 . 1 1 49 49 ALA CA C 49 50.993 50.993 51.167 -0.174 25700 5982 1 11 . 1 1 49 49 ALA CB C 49 22.620 22.620 21.735 0.885 25700 5983 1 11 . 1 1 49 49 ALA H H 49 8.557 8.557 8.515 0.042 25700 5984 1 11 . 1 1 50 50 GLY N N 50 105.483 105.483 109.115 -3.632 25700 5985 1 11 . 1 1 50 50 GLY C C 50 170.217 170.217 171.557 -1.340 25700 5986 1 11 . 1 1 50 50 GLY CA C 50 45.670 45.670 46.133 -0.463 25700 5987 1 11 . 1 1 50 50 GLY H H 50 6.865 6.865 8.628 -1.763 25700 5988 1 11 . 1 1 51 51 ALA N N 51 122.908 122.908 122.282 0.626 25700 5989 1 11 . 1 1 51 51 ALA HA H 51 5.265 5.265 4.914 0.351 25700 5990 1 11 . 1 1 51 51 ALA C C 51 176.793 176.793 175.209 1.584 25700 5991 1 11 . 1 1 51 51 ALA CA C 51 50.736 50.736 50.792 -0.056 25700 5992 1 11 . 1 1 51 51 ALA CB C 51 21.840 21.840 21.485 0.355 25700 5993 1 11 . 1 1 51 51 ALA H H 51 8.522 8.522 8.076 0.446 25700 5994 1 11 . 1 1 52 52 PHE N N 52 115.156 115.156 121.838 -6.682 25700 5995 1 11 . 1 1 52 52 PHE HA H 52 5.106 5.106 4.958 0.148 25700 5996 1 11 . 1 1 52 52 PHE C C 52 172.832 172.832 173.728 -0.896 25700 5997 1 11 . 1 1 52 52 PHE CA C 52 56.890 56.890 56.906 -0.016 25700 5998 1 11 . 1 1 52 52 PHE CB C 52 42.428 42.428 43.055 -0.627 25700 5999 1 11 . 1 1 52 52 PHE H H 52 8.191 8.191 8.863 -0.672 25700 6000 1 11 . 1 1 53 53 THR N N 53 116.180 116.180 113.824 2.356 25700 6001 1 11 . 1 1 53 53 THR HA H 53 4.631 4.631 4.563 0.068 25700 6002 1 11 . 1 1 53 53 THR C C 53 172.769 172.769 173.033 -0.264 25700 6003 1 11 . 1 1 53 53 THR CA C 53 61.610 61.610 60.803 0.807 25700 6004 1 11 . 1 1 53 53 THR CB C 53 70.736 70.736 68.906 1.830 25700 6005 1 11 . 1 1 53 53 THR H H 53 8.650 8.650 6.678 1.972 25700 6006 1 11 . 1 1 54 54 ALA N N 54 127.969 127.969 127.925 0.044 25700 6007 1 11 . 1 1 54 54 ALA HA H 54 4.748 4.748 4.765 -0.017 25700 6008 1 11 . 1 1 54 54 ALA C C 54 176.369 176.369 174.956 1.413 25700 6009 1 11 . 1 1 54 54 ALA CA C 54 51.397 51.397 50.745 0.652 25700 6010 1 11 . 1 1 54 54 ALA CB C 54 22.010 22.010 22.242 -0.232 25700 6011 1 11 . 1 1 54 54 ALA H H 54 9.353 9.353 8.492 0.861 25700 6012 1 11 . 1 1 55 55 ILE N N 55 123.326 123.326 121.138 2.188 25700 6013 1 11 . 1 1 55 55 ILE HA H 55 4.391 4.391 4.311 0.080 25700 6014 1 11 . 1 1 55 55 ILE C C 55 176.079 176.079 175.738 0.341 25700 6015 1 11 . 1 1 55 55 ILE CA C 55 59.138 59.138 59.954 -0.816 25700 6016 1 11 . 1 1 55 55 ILE CB C 55 39.451 39.451 40.819 -1.368 25700 6017 1 11 . 1 1 55 55 ILE H H 55 7.856 7.856 8.500 -0.644 25700 6018 1 11 . 1 1 56 56 ALA N N 56 130.280 130.280 129.074 1.206 25700 6019 1 11 . 1 1 56 56 ALA HA H 56 3.493 3.493 4.381 -0.888 25700 6020 1 11 . 1 1 56 56 ALA C C 56 177.405 177.405 177.695 -0.290 25700 6021 1 11 . 1 1 56 56 ALA CA C 56 54.156 54.156 52.507 1.649 25700 6022 1 11 . 1 1 56 56 ALA CB C 56 18.871 18.871 18.623 0.248 25700 6023 1 11 . 1 1 56 56 ALA H H 56 9.104 9.104 8.539 0.565 25700 6024 1 11 . 1 1 57 57 GLU N N 57 113.081 113.081 119.454 -6.373 25700 6025 1 11 . 1 1 57 57 GLU HA H 57 3.614 3.614 3.769 -0.155 25700 6026 1 11 . 1 1 57 57 GLU C C 57 174.959 174.959 175.440 -0.481 25700 6027 1 11 . 1 1 57 57 GLU CA C 57 58.080 58.080 57.590 0.491 25700 6028 1 11 . 1 1 57 57 GLU CB C 57 27.141 27.141 28.390 -1.249 25700 6029 1 11 . 1 1 57 57 GLU H H 57 9.007 9.007 8.913 0.094 25700 6030 1 11 . 1 1 58 58 GLN N N 58 119.796 119.796 117.403 2.393 25700 6031 1 11 . 1 1 58 58 GLN HA H 58 4.519 4.519 4.632 -0.113 25700 6032 1 11 . 1 1 58 58 GLN C C 58 175.217 175.217 175.129 0.088 25700 6033 1 11 . 1 1 58 58 GLN CA C 58 54.379 54.379 53.750 0.629 25700 6034 1 11 . 1 1 58 58 GLN CB C 58 30.102 30.102 31.261 -1.159 25700 6035 1 11 . 1 1 58 58 GLN H H 58 8.061 8.061 7.691 0.370 25700 6036 1 11 . 1 1 59 59 ARG N N 59 124.810 124.810 122.532 2.278 25700 6037 1 11 . 1 1 59 59 ARG HA H 59 4.286 4.286 4.526 -0.240 25700 6038 1 11 . 1 1 59 59 ARG C C 59 176.396 176.396 176.105 0.291 25700 6039 1 11 . 1 1 59 59 ARG CA C 59 56.810 56.810 55.624 1.186 25700 6040 1 11 . 1 1 59 59 ARG CB C 59 30.906 30.906 30.628 0.278 25700 6041 1 11 . 1 1 59 59 ARG H H 59 8.486 8.486 8.581 -0.095 25700 6042 1 11 . 1 1 60 60 VAL N N 60 127.238 127.238 128.541 -1.303 25700 6043 1 11 . 1 1 60 60 VAL HA H 60 4.319 4.319 4.367 -0.048 25700 6044 1 11 . 1 1 60 60 VAL C C 60 174.543 174.543 174.813 -0.270 25700 6045 1 11 . 1 1 60 60 VAL CA C 60 61.227 61.227 61.275 -0.048 25700 6046 1 11 . 1 1 60 60 VAL CB C 60 34.177 34.177 34.142 0.034 25700 6047 1 11 . 1 1 60 60 VAL H H 60 9.033 9.033 9.123 -0.090 25700 6048 1 11 . 1 1 61 61 THR N N 61 120.913 120.913 124.197 -3.284 25700 6049 1 11 . 1 1 61 61 THR HA H 61 5.096 5.096 4.693 0.403 25700 6050 1 11 . 1 1 61 61 THR C C 61 174.645 174.645 173.841 0.804 25700 6051 1 11 . 1 1 61 61 THR CA C 61 60.686 60.686 62.492 -1.806 25700 6052 1 11 . 1 1 61 61 THR CB C 61 69.710 69.710 69.333 0.377 25700 6053 1 11 . 1 1 61 61 THR H H 61 8.340 8.340 8.660 -0.320 25700 6054 1 11 . 1 1 62 62 VAL N N 62 117.650 117.650 126.263 -8.613 25700 6055 1 11 . 1 1 62 62 VAL HA H 62 4.294 4.294 4.034 0.260 25700 6056 1 11 . 1 1 62 62 VAL C C 62 174.530 174.530 175.250 -0.720 25700 6057 1 11 . 1 1 62 62 VAL CA C 62 58.641 58.641 60.818 -2.177 25700 6058 1 11 . 1 1 62 62 VAL CB C 62 34.263 34.263 34.944 -0.681 25700 6059 1 11 . 1 1 62 62 VAL H H 62 8.658 8.658 8.967 -0.309 25700 6060 1 11 . 1 1 63 63 GLY N N 63 107.924 107.924 114.255 -6.331 25700 6061 1 11 . 1 1 63 63 GLY C C 63 172.475 172.475 173.227 -0.752 25700 6062 1 11 . 1 1 63 63 GLY CA C 63 43.668 43.668 44.884 -1.216 25700 6063 1 11 . 1 1 63 63 GLY H H 63 7.857 7.857 8.861 -1.004 25700 6064 1 11 . 1 1 64 64 ASN N N 64 116.073 116.073 118.163 -2.090 25700 6065 1 11 . 1 1 64 64 ASN HA H 64 4.530 4.530 4.809 -0.279 25700 6066 1 11 . 1 1 64 64 ASN C C 64 173.307 173.307 175.430 -2.123 25700 6067 1 11 . 1 1 64 64 ASN CA C 64 55.380 55.380 52.735 2.645 25700 6068 1 11 . 1 1 64 64 ASN CB C 64 39.159 39.159 38.712 0.446 25700 6069 1 11 . 1 1 64 64 ASN H H 64 8.933 8.933 7.918 1.015 25700 6070 1 11 . 1 1 65 65 VAL N N 65 126.612 126.612 119.154 7.458 25700 6071 1 11 . 1 1 65 65 VAL HA H 65 4.238 4.238 4.528 -0.290 25700 6072 1 11 . 1 1 65 65 VAL C C 65 173.538 173.538 174.396 -0.858 25700 6073 1 11 . 1 1 65 65 VAL CA C 65 61.970 61.970 60.437 1.533 25700 6074 1 11 . 1 1 65 65 VAL CB C 65 33.829 33.829 35.068 -1.239 25700 6075 1 11 . 1 1 65 65 VAL H H 65 8.548 8.548 8.766 -0.218 25700 6076 1 11 . 1 1 66 66 VAL N N 66 127.886 127.886 124.527 3.359 25700 6077 1 11 . 1 1 66 66 VAL HA H 66 4.990 4.990 4.639 0.351 25700 6078 1 11 . 1 1 66 66 VAL C C 66 175.271 175.271 175.671 -0.400 25700 6079 1 11 . 1 1 66 66 VAL CA C 66 61.360 61.360 61.053 0.307 25700 6080 1 11 . 1 1 66 66 VAL CB C 66 32.923 32.923 32.448 0.475 25700 6081 1 11 . 1 1 66 66 VAL H H 66 8.364 8.364 8.220 0.144 25700 6082 1 11 . 1 1 67 67 LEU N N 67 126.454 126.454 127.766 -1.312 25700 6083 1 11 . 1 1 67 67 LEU HA H 67 4.955 4.955 4.753 0.202 25700 6084 1 11 . 1 1 67 67 LEU C C 67 176.547 176.547 176.713 -0.166 25700 6085 1 11 . 1 1 67 67 LEU CA C 67 52.492 52.492 52.016 0.476 25700 6086 1 11 . 1 1 67 67 LEU CB C 67 46.685 46.685 43.047 3.638 25700 6087 1 11 . 1 1 67 67 LEU H H 67 9.050 9.050 9.081 -0.031 25700 6088 1 11 . 1 1 68 68 ASP N N 68 119.799 119.799 119.899 -0.100 25700 6089 1 11 . 1 1 68 68 ASP HA H 68 4.609 4.609 4.278 0.331 25700 6090 1 11 . 1 1 68 68 ASP C C 68 176.247 176.247 175.849 0.398 25700 6091 1 11 . 1 1 68 68 ASP CA C 68 55.492 55.492 55.475 0.017 25700 6092 1 11 . 1 1 68 68 ASP CB C 68 40.566 40.566 41.227 -0.661 25700 6093 1 11 . 1 1 68 68 ASP H H 68 8.722 8.722 8.626 0.096 25700 6094 1 11 . 1 1 69 69 TYR N N 69 123.398 123.398 127.028 -3.630 25700 6095 1 11 . 1 1 69 69 TYR HA H 69 4.651 4.651 4.610 0.041 25700 6096 1 11 . 1 1 69 69 TYR C C 69 174.253 174.253 174.438 -0.185 25700 6097 1 11 . 1 1 69 69 TYR CA C 69 57.767 57.767 58.846 -1.079 25700 6098 1 11 . 1 1 69 69 TYR CB C 69 40.067 40.067 38.660 1.407 25700 6099 1 11 . 1 1 69 69 TYR H H 69 8.603 8.603 7.768 0.835 25700 6100 1 11 . 1 1 70 70 SER N N 70 121.308 121.308 122.224 -0.916 25700 6101 1 11 . 1 1 70 70 SER HA H 70 4.059 4.059 4.322 -0.263 25700 6102 1 11 . 1 1 70 70 SER C C 70 174.851 174.851 174.421 0.430 25700 6103 1 11 . 1 1 70 70 SER CA C 70 56.341 56.341 56.669 -0.328 25700 6104 1 11 . 1 1 70 70 SER CB C 70 64.634 64.634 65.533 -0.899 25700 6105 1 11 . 1 1 70 70 SER H H 70 6.749 6.749 8.326 -1.577 25700 6106 1 11 . 1 1 71 71 SER N N 71 122.764 122.764 120.897 1.867 25700 6107 1 11 . 1 1 71 71 SER HA H 71 4.221 4.221 4.236 -0.015 25700 6108 1 11 . 1 1 71 71 SER C C 71 174.098 174.098 175.561 -1.463 25700 6109 1 11 . 1 1 71 71 SER CA C 71 60.326 60.326 60.633 -0.307 25700 6110 1 11 . 1 1 71 71 SER CB C 71 62.814 62.814 63.121 -0.307 25700 6111 1 11 . 1 1 71 71 SER H H 71 8.907 8.907 8.337 0.570 25700 6112 1 11 . 1 1 72 72 ALA N N 72 122.199 122.199 121.382 0.817 25700 6113 1 11 . 1 1 72 72 ALA HA H 72 4.320 4.320 4.369 -0.049 25700 6114 1 11 . 1 1 72 72 ALA C C 72 177.749 177.749 176.972 0.777 25700 6115 1 11 . 1 1 72 72 ALA CA C 72 52.283 52.283 51.790 0.493 25700 6116 1 11 . 1 1 72 72 ALA CB C 72 18.950 18.950 18.618 0.332 25700 6117 1 11 . 1 1 72 72 ALA H H 72 7.869 7.869 8.062 -0.193 25700 6118 1 11 . 1 1 73 73 ASN N N 73 116.297 116.297 117.453 -1.156 25700 6119 1 11 . 1 1 73 73 ASN HA H 73 5.076 5.076 4.515 0.561 25700 6120 1 11 . 1 1 73 73 ASN C C 73 173.794 173.794 174.366 -0.572 25700 6121 1 11 . 1 1 73 73 ASN CA C 73 51.612 51.612 52.526 -0.914 25700 6122 1 11 . 1 1 73 73 ASN CB C 73 40.647 40.647 38.998 1.649 25700 6123 1 11 . 1 1 73 73 ASN H H 73 7.265 7.265 7.485 -0.220 25700 6124 1 11 . 1 1 74 74 ARG N N 74 118.937 118.937 124.101 -5.164 25700 6125 1 11 . 1 1 74 74 ARG HA H 74 4.684 4.684 4.261 0.423 25700 6126 1 11 . 1 1 74 74 ARG C C 74 174.943 174.943 174.351 0.592 25700 6127 1 11 . 1 1 74 74 ARG CA C 74 54.523 54.523 54.704 -0.181 25700 6128 1 11 . 1 1 74 74 ARG CB C 74 32.331 32.331 29.212 3.119 25700 6129 1 11 . 1 1 74 74 ARG H H 74 8.529 8.529 8.192 0.337 25700 6130 1 11 . 1 1 75 75 TYR N N 75 122.282 122.282 124.530 -2.248 25700 6131 1 11 . 1 1 75 75 TYR HA H 75 5.159 5.159 5.195 -0.036 25700 6132 1 11 . 1 1 75 75 TYR C C 75 173.593 173.593 174.265 -0.672 25700 6133 1 11 . 1 1 75 75 TYR CA C 75 57.080 57.080 56.434 0.646 25700 6134 1 11 . 1 1 75 75 TYR CB C 75 41.202 41.202 40.018 1.184 25700 6135 1 11 . 1 1 75 75 TYR H H 75 8.691 8.691 8.069 0.622 25700 6136 1 11 . 1 1 76 76 ALA N N 76 122.606 122.606 125.031 -2.425 25700 6137 1 11 . 1 1 76 76 ALA HA H 76 4.788 4.788 4.950 -0.162 25700 6138 1 11 . 1 1 76 76 ALA C C 76 175.765 175.765 174.838 0.927 25700 6139 1 11 . 1 1 76 76 ALA CA C 76 50.543 50.543 49.928 0.615 25700 6140 1 11 . 1 1 76 76 ALA CB C 76 23.070 23.070 22.855 0.215 25700 6141 1 11 . 1 1 76 76 ALA H H 76 8.688 8.688 9.264 -0.576 25700 6142 1 11 . 1 1 77 77 ALA N N 77 119.325 119.325 120.530 -1.205 25700 6143 1 11 . 1 1 77 77 ALA HA H 77 5.488 5.488 5.439 0.049 25700 6144 1 11 . 1 1 77 77 ALA C C 77 174.473 174.473 175.403 -0.930 25700 6145 1 11 . 1 1 77 77 ALA CA C 77 51.813 51.813 51.025 0.788 25700 6146 1 11 . 1 1 77 77 ALA CB C 77 24.137 24.137 22.839 1.298 25700 6147 1 11 . 1 1 77 77 ALA H H 77 8.584 8.584 8.077 0.507 25700 6148 1 11 . 1 1 78 78 ARG N N 78 122.822 122.822 118.663 4.159 25700 6149 1 11 . 1 1 78 78 ARG HA H 78 4.938 4.938 5.416 -0.478 25700 6150 1 11 . 1 1 78 78 ARG C C 78 173.170 173.170 173.978 -0.808 25700 6151 1 11 . 1 1 78 78 ARG CA C 78 54.890 54.890 55.473 -0.583 25700 6152 1 11 . 1 1 78 78 ARG CB C 78 34.467 34.467 32.387 2.080 25700 6153 1 11 . 1 1 78 78 ARG H H 78 8.807 8.807 9.091 -0.284 25700 6154 1 11 . 1 1 79 79 LEU N N 79 130.548 130.548 126.837 3.711 25700 6155 1 11 . 1 1 79 79 LEU HA H 79 5.440 5.440 5.446 -0.006 25700 6156 1 11 . 1 1 79 79 LEU C C 79 173.434 173.434 174.726 -1.292 25700 6157 1 11 . 1 1 79 79 LEU CA C 79 53.186 53.186 53.301 -0.115 25700 6158 1 11 . 1 1 79 79 LEU CB C 79 45.369 45.369 45.989 -0.620 25700 6159 1 11 . 1 1 79 79 LEU H H 79 9.055 9.055 8.752 0.303 25700 6160 1 11 . 1 1 80 80 ASP N N 80 125.928 125.928 127.701 -1.773 25700 6161 1 11 . 1 1 80 80 ASP HA H 80 5.480 5.480 5.448 0.032 25700 6162 1 11 . 1 1 80 80 ASP C C 80 175.805 175.805 175.635 0.170 25700 6163 1 11 . 1 1 80 80 ASP CA C 80 53.794 53.794 53.792 0.002 25700 6164 1 11 . 1 1 80 80 ASP CB C 80 44.119 44.119 42.886 1.234 25700 6165 1 11 . 1 1 80 80 ASP H H 80 9.251 9.251 9.198 0.053 25700 6166 1 11 . 1 1 81 81 VAL N N 81 123.295 123.295 126.334 -3.039 25700 6167 1 11 . 1 1 81 81 VAL HA H 81 4.843 4.843 4.481 0.362 25700 6168 1 11 . 1 1 81 81 VAL C C 81 174.136 174.136 174.696 -0.560 25700 6169 1 11 . 1 1 81 81 VAL CA C 81 61.438 61.438 61.948 -0.510 25700 6170 1 11 . 1 1 81 81 VAL CB C 81 35.299 35.299 32.581 2.718 25700 6171 1 11 . 1 1 81 81 VAL H H 81 8.947 8.947 8.720 0.227 25700 6172 1 11 . 1 1 82 82 SER N N 82 122.698 122.698 123.210 -0.512 25700 6173 1 11 . 1 1 82 82 SER HA H 82 5.380 5.380 5.382 -0.002 25700 6174 1 11 . 1 1 82 82 SER C C 82 173.016 173.016 173.504 -0.488 25700 6175 1 11 . 1 1 82 82 SER CA C 82 57.195 57.195 56.522 0.673 25700 6176 1 11 . 1 1 82 82 SER CB C 82 64.477 64.477 64.652 -0.175 25700 6177 1 11 . 1 1 82 82 SER H H 82 9.026 9.026 8.756 0.270 25700 6178 1 11 . 1 1 83 83 PHE N N 83 127.305 127.305 127.709 -0.404 25700 6179 1 11 . 1 1 83 83 PHE HA H 83 4.781 4.781 4.874 -0.093 25700 6180 1 11 . 1 1 83 83 PHE C C 83 174.741 174.741 175.377 -0.636 25700 6181 1 11 . 1 1 83 83 PHE CA C 83 57.376 57.376 57.701 -0.325 25700 6182 1 11 . 1 1 83 83 PHE CB C 83 42.094 42.094 40.631 1.463 25700 6183 1 11 . 1 1 83 83 PHE H H 83 9.012 9.012 8.874 0.138 25700 6184 1 11 . 1 1 84 84 GLY N N 84 117.337 117.337 116.249 1.088 25700 6185 1 11 . 1 1 84 84 GLY C C 84 175.295 175.295 175.127 0.168 25700 6186 1 11 . 1 1 84 84 GLY CA C 84 47.086 47.086 46.300 0.786 25700 6187 1 11 . 1 1 84 84 GLY H H 84 8.784 8.784 8.414 0.370 25700 6188 1 11 . 1 1 85 85 SER N N 85 120.553 120.553 119.577 0.976 25700 6189 1 11 . 1 1 85 85 SER HA H 85 4.383 4.383 4.441 -0.058 25700 6190 1 11 . 1 1 85 85 SER C C 85 173.796 173.796 174.627 -0.831 25700 6191 1 11 . 1 1 85 85 SER CA C 85 59.095 59.095 58.309 0.786 25700 6192 1 11 . 1 1 85 85 SER CB C 85 63.360 63.360 63.913 -0.553 25700 6193 1 11 . 1 1 85 85 SER H H 85 8.687 8.687 8.452 0.235 25700 6194 1 11 . 1 1 86 86 VAL N N 86 121.297 121.297 123.427 -2.130 25700 6195 1 11 . 1 1 86 86 VAL HA H 86 4.504 4.504 4.260 0.244 25700 6196 1 11 . 1 1 86 86 VAL C C 86 174.888 174.888 174.113 0.775 25700 6197 1 11 . 1 1 86 86 VAL CA C 86 61.610 61.610 61.497 0.113 25700 6198 1 11 . 1 1 86 86 VAL CB C 86 34.210 34.210 32.835 1.375 25700 6199 1 11 . 1 1 86 86 VAL H H 86 7.963 7.963 7.345 0.618 25700 6200 1 11 . 1 1 87 87 THR N N 87 119.631 119.631 124.547 -4.916 25700 6201 1 11 . 1 1 87 87 THR HA H 87 5.551 5.551 5.418 0.133 25700 6202 1 11 . 1 1 87 87 THR C C 87 174.271 174.271 173.590 0.681 25700 6203 1 11 . 1 1 87 87 THR CA C 87 60.550 60.550 61.870 -1.320 25700 6204 1 11 . 1 1 87 87 THR CB C 87 71.350 71.350 69.947 1.403 25700 6205 1 11 . 1 1 87 87 THR H H 87 8.302 8.302 8.452 -0.150 25700 6206 1 11 . 1 1 88 88 ILE N N 88 118.811 118.811 121.176 -2.365 25700 6207 1 11 . 1 1 88 88 ILE HA H 88 4.858 4.858 4.701 0.157 25700 6208 1 11 . 1 1 88 88 ILE C C 88 174.300 174.300 173.247 1.053 25700 6209 1 11 . 1 1 88 88 ILE CA C 88 59.380 59.380 59.393 -0.013 25700 6210 1 11 . 1 1 88 88 ILE CB C 88 43.170 43.170 41.758 1.412 25700 6211 1 11 . 1 1 88 88 ILE H H 88 8.986 8.986 8.874 0.112 25700 6212 1 11 . 1 1 89 89 GLN N N 89 120.806 120.806 119.847 0.959 25700 6213 1 11 . 1 1 89 89 GLN HA H 89 5.814 5.814 5.573 0.241 25700 6214 1 11 . 1 1 89 89 GLN C C 89 175.021 175.021 174.176 0.845 25700 6215 1 11 . 1 1 89 89 GLN CA C 89 54.171 54.171 54.505 -0.334 25700 6216 1 11 . 1 1 89 89 GLN CB C 89 34.262 34.262 32.186 2.076 25700 6217 1 11 . 1 1 89 89 GLN H H 89 8.481 8.481 8.063 0.417 25700 6218 1 11 . 1 1 90 90 CYS N N 90 118.531 118.531 117.618 0.913 25700 6219 1 11 . 1 1 90 90 CYS HA H 90 5.010 5.010 4.841 0.169 25700 6220 1 11 . 1 1 90 90 CYS C C 90 172.402 172.402 172.928 -0.526 25700 6221 1 11 . 1 1 90 90 CYS CA C 90 54.874 54.874 56.585 -1.711 25700 6222 1 11 . 1 1 90 90 CYS CB C 90 50.267 50.267 31.022 19.245 25700 6223 1 11 . 1 1 90 90 CYS H H 90 9.151 9.151 8.946 0.205 25700 6224 1 11 . 1 1 91 91 ASN N N 91 116.449 116.449 118.190 -1.741 25700 6225 1 11 . 1 1 91 91 ASN HA H 91 5.615 5.615 5.419 0.196 25700 6226 1 11 . 1 1 91 91 ASN C C 91 174.994 174.994 174.137 0.857 25700 6227 1 11 . 1 1 91 91 ASN CA C 91 52.484 52.484 51.481 1.003 25700 6228 1 11 . 1 1 91 91 ASN CB C 91 43.331 43.331 40.871 2.460 25700 6229 1 11 . 1 1 91 91 ASN H H 91 8.791 8.791 8.209 0.582 25700 6230 1 11 . 1 1 92 92 LEU N N 92 123.391 123.391 122.199 1.192 25700 6231 1 11 . 1 1 92 92 LEU HA H 92 4.286 4.286 4.416 -0.130 25700 6232 1 11 . 1 1 92 92 LEU C C 92 176.188 176.188 176.400 -0.212 25700 6233 1 11 . 1 1 92 92 LEU CA C 92 54.863 54.863 54.681 0.182 25700 6234 1 11 . 1 1 92 92 LEU CB C 92 45.064 45.064 43.315 1.749 25700 6235 1 11 . 1 1 92 92 LEU H H 92 8.597 8.597 8.781 -0.184 25700 6236 1 11 . 1 1 93 93 ASP N N 93 129.020 129.020 128.703 0.317 25700 6237 1 11 . 1 1 93 93 ASP HA H 93 5.160 5.160 4.972 0.188 25700 6238 1 11 . 1 1 93 93 ASP C C 93 175.761 175.761 175.659 0.102 25700 6239 1 11 . 1 1 93 93 ASP CA C 93 50.948 50.948 52.167 -1.219 25700 6240 1 11 . 1 1 93 93 ASP CB C 93 41.136 41.136 41.123 0.013 25700 6241 1 11 . 1 1 93 93 ASP H H 93 9.146 9.146 8.681 0.465 25700 6242 1 11 . 1 1 94 94 PRO HA H 94 4.304 4.304 4.653 -0.349 25700 6243 1 11 . 1 1 94 94 PRO C C 94 178.637 178.637 177.914 0.723 25700 6244 1 11 . 1 1 94 94 PRO CA C 94 64.830 64.830 64.897 -0.067 25700 6245 1 11 . 1 1 94 94 PRO CB C 94 32.579 32.579 32.157 0.421 25700 6246 1 11 . 1 1 95 95 GLU N N 95 116.747 116.747 116.877 -0.130 25700 6247 1 11 . 1 1 95 95 GLU HA H 95 4.223 4.223 4.192 0.031 25700 6248 1 11 . 1 1 95 95 GLU C C 95 177.994 177.994 178.015 -0.021 25700 6249 1 11 . 1 1 95 95 GLU CA C 95 57.773 57.773 58.318 -0.545 25700 6250 1 11 . 1 1 95 95 GLU CB C 95 29.084 29.084 29.034 0.050 25700 6251 1 11 . 1 1 95 95 GLU H H 95 8.358 8.358 8.799 -0.441 25700 6252 1 11 . 1 1 96 96 THR N N 96 109.182 109.182 108.658 0.524 25700 6253 1 11 . 1 1 96 96 THR HA H 96 4.169 4.169 4.562 -0.393 25700 6254 1 11 . 1 1 96 96 THR C C 96 175.238 175.238 176.020 -0.782 25700 6255 1 11 . 1 1 96 96 THR CA C 96 63.038 63.038 63.010 0.028 25700 6256 1 11 . 1 1 96 96 THR CB C 96 69.640 69.640 69.795 -0.155 25700 6257 1 11 . 1 1 96 96 THR H H 96 7.951 7.951 8.086 -0.135 25700 6258 1 11 . 1 1 97 97 VAL N N 97 121.118 121.118 122.376 -1.258 25700 6259 1 11 . 1 1 97 97 VAL HA H 97 3.770 3.770 3.819 -0.049 25700 6260 1 11 . 1 1 97 97 VAL C C 97 174.851 174.851 176.295 -1.444 25700 6261 1 11 . 1 1 97 97 VAL CA C 97 63.272 63.272 64.847 -1.575 25700 6262 1 11 . 1 1 97 97 VAL CB C 97 30.627 30.627 31.587 -0.960 25700 6263 1 11 . 1 1 97 97 VAL H H 97 7.175 7.175 7.460 -0.285 25700 6264 1 11 . 1 1 98 98 LYS N N 98 123.245 123.245 122.538 0.707 25700 6265 1 11 . 1 1 98 98 LYS HA H 98 4.385 4.385 4.315 0.070 25700 6266 1 11 . 1 1 98 98 LYS C C 98 175.612 175.612 175.673 -0.061 25700 6267 1 11 . 1 1 98 98 LYS CA C 98 55.812 55.812 56.593 -0.781 25700 6268 1 11 . 1 1 98 98 LYS CB C 98 33.804 33.804 30.383 3.421 25700 6269 1 11 . 1 1 98 98 LYS H H 98 7.712 7.712 8.063 -0.351 25700 6270 1 11 . 1 1 99 99 LEU N N 99 122.457 122.457 117.929 4.528 25700 6271 1 11 . 1 1 99 99 LEU HA H 99 4.123 4.123 3.960 0.163 25700 6272 1 11 . 1 1 99 99 LEU C C 99 177.160 177.160 175.950 1.210 25700 6273 1 11 . 1 1 99 99 LEU CA C 99 55.309 55.309 55.928 -0.619 25700 6274 1 11 . 1 1 99 99 LEU CB C 99 42.319 42.319 39.208 3.111 25700 6275 1 11 . 1 1 99 99 LEU H H 99 8.110 8.110 9.089 -0.979 25700 6276 1 11 . 1 1 100 100 GLU N N 100 120.800 120.800 112.907 7.893 25700 6277 1 11 . 1 1 100 100 GLU HA H 100 4.151 4.151 3.950 0.201 25700 6278 1 11 . 1 1 100 100 GLU C C 100 176.070 176.070 175.352 0.718 25700 6279 1 11 . 1 1 100 100 GLU CA C 100 56.740 56.740 57.587 -0.846 25700 6280 1 11 . 1 1 100 100 GLU CB C 100 30.060 30.060 27.524 2.536 25700 6281 1 11 . 1 1 100 100 GLU H H 100 8.340 8.340 8.156 0.184 25700 6282 1 12 . 1 1 2 2 VAL N N 2 123.080 123.080 120.183 2.897 25700 6283 1 12 . 1 1 2 2 VAL HA H 2 4.678 4.678 4.252 0.426 25700 6284 1 12 . 1 1 2 2 VAL C C 2 171.871 171.871 175.198 -3.327 25700 6285 1 12 . 1 1 2 2 VAL CA C 2 59.500 59.500 60.475 -0.975 25700 6286 1 12 . 1 1 2 2 VAL CB C 2 34.185 34.185 33.346 0.839 25700 6287 1 12 . 1 1 2 2 VAL H H 2 8.041 8.041 7.796 0.245 25700 6288 1 12 . 1 1 3 3 GLN N N 3 123.080 123.080 122.222 0.858 25700 6289 1 12 . 1 1 3 3 GLN HA H 3 4.660 4.660 4.727 -0.067 25700 6290 1 12 . 1 1 3 3 GLN CA C 3 54.109 54.109 52.673 1.436 25700 6291 1 12 . 1 1 3 3 GLN CB C 3 33.338 33.338 33.158 0.180 25700 6292 1 12 . 1 1 3 3 GLN H H 3 8.126 8.126 9.144 -1.018 25700 6293 1 12 . 1 1 4 4 CYS N N 4 115.260 115.260 113.831 1.429 25700 6294 1 12 . 1 1 4 4 CYS HA H 4 5.676 5.676 5.290 0.386 25700 6295 1 12 . 1 1 4 4 CYS C C 4 171.720 171.720 173.397 -1.677 25700 6296 1 12 . 1 1 4 4 CYS CA C 4 53.402 53.402 56.522 -3.120 25700 6297 1 12 . 1 1 4 4 CYS CB C 4 45.525 45.525 31.816 13.710 25700 6298 1 12 . 1 1 4 4 CYS H H 4 8.909 8.909 8.705 0.204 25700 6299 1 12 . 1 1 5 5 GLU N N 5 117.764 117.764 119.716 -1.952 25700 6300 1 12 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.648 -0.169 25700 6301 1 12 . 1 1 5 5 GLU C C 5 174.088 174.088 173.834 0.254 25700 6302 1 12 . 1 1 5 5 GLU CA C 5 54.838 54.838 55.407 -0.569 25700 6303 1 12 . 1 1 5 5 GLU CB C 5 34.155 34.155 34.203 -0.048 25700 6304 1 12 . 1 1 5 5 GLU H H 5 8.580 8.580 9.217 -0.637 25700 6305 1 12 . 1 1 6 6 VAL N N 6 120.471 120.471 115.620 4.851 25700 6306 1 12 . 1 1 6 6 VAL HA H 6 4.427 4.427 4.374 0.053 25700 6307 1 12 . 1 1 6 6 VAL C C 6 174.211 174.211 174.347 -0.136 25700 6308 1 12 . 1 1 6 6 VAL CA C 6 61.540 61.540 60.091 1.449 25700 6309 1 12 . 1 1 6 6 VAL CB C 6 32.618 32.618 34.027 -1.409 25700 6310 1 12 . 1 1 6 6 VAL H H 6 8.588 8.588 8.170 0.418 25700 6311 1 12 . 1 1 7 7 GLU N N 7 125.816 125.816 124.353 1.463 25700 6312 1 12 . 1 1 7 7 GLU HA H 7 4.548 4.548 4.729 -0.181 25700 6313 1 12 . 1 1 7 7 GLU C C 7 174.194 174.194 174.893 -0.699 25700 6314 1 12 . 1 1 7 7 GLU CA C 7 54.524 54.524 54.439 0.085 25700 6315 1 12 . 1 1 7 7 GLU CB C 7 33.291 33.291 34.230 -0.939 25700 6316 1 12 . 1 1 7 7 GLU H H 7 8.820 8.820 8.384 0.436 25700 6317 1 12 . 1 1 8 8 ALA N N 8 122.882 122.882 123.039 -0.157 25700 6318 1 12 . 1 1 8 8 ALA HA H 8 5.238 5.238 4.635 0.603 25700 6319 1 12 . 1 1 8 8 ALA C C 8 175.557 175.557 174.990 0.567 25700 6320 1 12 . 1 1 8 8 ALA CA C 8 49.950 49.950 51.227 -1.277 25700 6321 1 12 . 1 1 8 8 ALA CB C 8 22.730 22.730 21.742 0.988 25700 6322 1 12 . 1 1 8 8 ALA H H 8 8.410 8.410 8.496 -0.086 25700 6323 1 12 . 1 1 9 9 ALA N N 9 124.110 124.110 126.969 -2.859 25700 6324 1 12 . 1 1 9 9 ALA HA H 9 4.691 4.691 4.694 -0.003 25700 6325 1 12 . 1 1 9 9 ALA C C 9 176.300 176.300 175.528 0.772 25700 6326 1 12 . 1 1 9 9 ALA CA C 9 50.825 50.825 50.390 0.435 25700 6327 1 12 . 1 1 9 9 ALA CB C 9 21.240 21.240 20.227 1.013 25700 6328 1 12 . 1 1 9 9 ALA H H 9 8.407 8.407 9.011 -0.604 25700 6329 1 12 . 1 1 10 10 VAL N N 10 126.780 126.780 126.112 0.668 25700 6330 1 12 . 1 1 10 10 VAL HA H 10 4.379 4.379 3.988 0.391 25700 6331 1 12 . 1 1 10 10 VAL C C 10 175.717 175.717 175.768 -0.051 25700 6332 1 12 . 1 1 10 10 VAL CA C 10 61.580 61.580 62.468 -0.888 25700 6333 1 12 . 1 1 10 10 VAL CB C 10 32.209 32.209 31.989 0.220 25700 6334 1 12 . 1 1 10 10 VAL H H 10 8.860 8.860 8.519 0.341 25700 6335 1 12 . 1 1 11 11 SER N N 11 120.868 120.868 123.632 -2.764 25700 6336 1 12 . 1 1 11 11 SER HA H 11 4.448 4.448 4.645 -0.197 25700 6337 1 12 . 1 1 11 11 SER C C 11 175.498 175.498 174.706 0.792 25700 6338 1 12 . 1 1 11 11 SER CA C 11 57.590 57.590 56.295 1.295 25700 6339 1 12 . 1 1 11 11 SER CB C 11 64.000 64.000 65.117 -1.117 25700 6340 1 12 . 1 1 11 11 SER H H 11 8.478 8.478 8.850 -0.372 25700 6341 1 12 . 1 1 12 12 GLY N N 12 116.896 116.896 107.214 9.682 25700 6342 1 12 . 1 1 12 12 GLY C C 12 174.994 174.994 174.796 0.198 25700 6343 1 12 . 1 1 12 12 GLY CA C 12 47.515 47.515 45.940 1.575 25700 6344 1 12 . 1 1 12 12 GLY H H 12 9.120 9.120 8.600 0.520 25700 6345 1 12 . 1 1 13 13 GLY N N 13 108.984 108.984 114.140 -5.156 25700 6346 1 12 . 1 1 13 13 GLY C C 13 174.440 174.440 173.590 0.850 25700 6347 1 12 . 1 1 13 13 GLY CA C 13 45.383 45.383 45.147 0.236 25700 6348 1 12 . 1 1 13 13 GLY H H 13 8.816 8.816 8.599 0.217 25700 6349 1 12 . 1 1 14 14 HIS N N 14 118.737 118.737 118.697 0.040 25700 6350 1 12 . 1 1 14 14 HIS HA H 14 5.458 5.458 5.413 0.045 25700 6351 1 12 . 1 1 14 14 HIS C C 14 172.243 172.243 173.354 -1.111 25700 6352 1 12 . 1 1 14 14 HIS CA C 14 54.905 54.905 55.157 -0.252 25700 6353 1 12 . 1 1 14 14 HIS CB C 14 32.311 32.311 33.468 -1.157 25700 6354 1 12 . 1 1 14 14 HIS H H 14 8.084 8.084 7.701 0.383 25700 6355 1 12 . 1 1 15 15 VAL N N 15 120.204 120.204 125.813 -5.609 25700 6356 1 12 . 1 1 15 15 VAL HA H 15 4.932 4.932 4.483 0.449 25700 6357 1 12 . 1 1 15 15 VAL C C 15 172.314 172.314 174.383 -2.069 25700 6358 1 12 . 1 1 15 15 VAL CA C 15 58.540 58.540 59.736 -1.196 25700 6359 1 12 . 1 1 15 15 VAL CB C 15 34.285 34.285 33.688 0.597 25700 6360 1 12 . 1 1 15 15 VAL H H 15 9.369 9.369 9.042 0.327 25700 6361 1 12 . 1 1 16 16 THR N N 16 123.685 123.685 126.817 -3.132 25700 6362 1 12 . 1 1 16 16 THR HA H 16 5.220 5.220 4.830 0.390 25700 6363 1 12 . 1 1 16 16 THR C C 16 174.478 174.478 173.112 1.366 25700 6364 1 12 . 1 1 16 16 THR CA C 16 61.481 61.481 62.667 -1.186 25700 6365 1 12 . 1 1 16 16 THR CB C 16 70.017 70.017 68.973 1.044 25700 6366 1 12 . 1 1 16 16 THR H H 16 8.604 8.604 9.098 -0.494 25700 6367 1 12 . 1 1 17 17 LEU N N 17 128.958 128.958 129.237 -0.279 25700 6368 1 12 . 1 1 17 17 LEU HA H 17 5.407 5.407 4.552 0.855 25700 6369 1 12 . 1 1 17 17 LEU C C 17 174.481 174.481 174.046 0.435 25700 6370 1 12 . 1 1 17 17 LEU CA C 17 53.999 53.999 53.845 0.154 25700 6371 1 12 . 1 1 17 17 LEU CB C 17 44.108 44.108 45.062 -0.954 25700 6372 1 12 . 1 1 17 17 LEU H H 17 9.627 9.627 9.319 0.308 25700 6373 1 12 . 1 1 18 18 GLN N N 18 115.227 115.227 120.309 -5.082 25700 6374 1 12 . 1 1 18 18 GLN HA H 18 4.465 4.465 5.158 -0.693 25700 6375 1 12 . 1 1 18 18 GLN C C 18 174.042 174.042 174.567 -0.525 25700 6376 1 12 . 1 1 18 18 GLN CA C 18 53.725 53.725 54.113 -0.388 25700 6377 1 12 . 1 1 18 18 GLN CB C 18 31.767 31.767 32.735 -0.968 25700 6378 1 12 . 1 1 18 18 GLN H H 18 8.243 8.243 8.527 -0.284 25700 6379 1 12 . 1 1 19 19 GLY N N 19 107.795 107.795 109.585 -1.790 25700 6380 1 12 . 1 1 19 19 GLY C C 19 172.005 172.005 172.562 -0.557 25700 6381 1 12 . 1 1 19 19 GLY CA C 19 44.485 44.485 43.934 0.551 25700 6382 1 12 . 1 1 19 19 GLY H H 19 9.100 9.100 8.834 0.266 25700 6383 1 12 . 1 1 20 20 VAL N N 20 120.951 120.951 125.799 -4.848 25700 6384 1 12 . 1 1 20 20 VAL HA H 20 4.634 4.634 4.149 0.485 25700 6385 1 12 . 1 1 20 20 VAL C C 20 175.670 175.670 175.133 0.537 25700 6386 1 12 . 1 1 20 20 VAL CA C 20 61.380 61.380 62.801 -1.421 25700 6387 1 12 . 1 1 20 20 VAL CB C 20 33.990 33.990 33.632 0.358 25700 6388 1 12 . 1 1 20 20 VAL H H 20 8.859 8.859 8.512 0.347 25700 6389 1 12 . 1 1 21 21 ILE N N 21 129.511 129.511 126.794 2.717 25700 6390 1 12 . 1 1 21 21 ILE HA H 21 4.443 4.443 4.596 -0.153 25700 6391 1 12 . 1 1 21 21 ILE C C 21 174.567 174.567 175.079 -0.512 25700 6392 1 12 . 1 1 21 21 ILE CA C 21 59.883 59.883 60.070 -0.187 25700 6393 1 12 . 1 1 21 21 ILE CB C 21 41.152 41.152 40.402 0.750 25700 6394 1 12 . 1 1 21 21 ILE H H 21 9.304 9.304 8.829 0.475 25700 6395 1 12 . 1 1 22 22 THR N N 22 120.311 120.311 125.061 -4.750 25700 6396 1 12 . 1 1 22 22 THR HA H 22 4.479 4.479 4.942 -0.463 25700 6397 1 12 . 1 1 22 22 THR C C 22 172.996 172.996 173.660 -0.664 25700 6398 1 12 . 1 1 22 22 THR CA C 22 61.647 61.647 62.607 -0.960 25700 6399 1 12 . 1 1 22 22 THR CB C 22 70.230 70.230 69.585 0.645 25700 6400 1 12 . 1 1 22 22 THR H H 22 8.063 8.063 8.617 -0.554 25700 6401 1 12 . 1 1 23 23 ALA N N 23 104.959 104.959 129.069 -24.110 25700 6402 1 12 . 1 1 23 23 ALA HA H 23 5.056 5.056 4.829 0.227 25700 6403 1 12 . 1 1 23 23 ALA C C 23 177.722 177.722 177.003 0.719 25700 6404 1 12 . 1 1 23 23 ALA CA C 23 49.963 49.963 50.337 -0.374 25700 6405 1 12 . 1 1 23 23 ALA CB C 23 22.915 22.915 21.280 1.635 25700 6406 1 12 . 1 1 23 23 ALA H H 23 9.764 9.764 8.755 1.009 25700 6407 1 12 . 1 1 24 24 VAL N N 24 113.370 113.370 123.064 -9.694 25700 6408 1 12 . 1 1 24 24 VAL HA H 24 4.083 4.083 3.963 0.120 25700 6409 1 12 . 1 1 24 24 VAL C C 24 174.539 174.539 175.642 -1.103 25700 6410 1 12 . 1 1 24 24 VAL CA C 24 62.339 62.339 64.312 -1.973 25700 6411 1 12 . 1 1 24 24 VAL CB C 24 31.933 31.933 31.824 0.109 25700 6412 1 12 . 1 1 24 24 VAL H H 24 8.239 8.239 8.638 -0.399 25700 6413 1 12 . 1 1 25 25 ARG N N 25 116.002 116.002 118.886 -2.884 25700 6414 1 12 . 1 1 25 25 ARG HA H 25 4.740 4.740 4.551 0.189 25700 6415 1 12 . 1 1 25 25 ARG C C 25 172.797 172.797 174.442 -1.645 25700 6416 1 12 . 1 1 25 25 ARG CA C 25 53.284 53.284 53.622 -0.338 25700 6417 1 12 . 1 1 25 25 ARG CB C 25 33.542 33.542 32.694 0.848 25700 6418 1 12 . 1 1 25 25 ARG H H 25 7.308 7.308 7.507 -0.199 25700 6419 1 12 . 1 1 26 26 ASP N N 26 118.075 118.075 121.640 -3.565 25700 6420 1 12 . 1 1 26 26 ASP HA H 26 4.665 4.665 4.969 -0.304 25700 6421 1 12 . 1 1 26 26 ASP C C 26 177.721 177.721 175.952 1.769 25700 6422 1 12 . 1 1 26 26 ASP CA C 26 53.911 53.911 53.589 0.322 25700 6423 1 12 . 1 1 26 26 ASP CB C 26 41.143 41.143 41.727 -0.584 25700 6424 1 12 . 1 1 26 26 ASP H H 26 8.301 8.301 8.296 0.005 25700 6425 1 12 . 1 1 27 27 GLY N N 27 106.966 106.966 109.412 -2.446 25700 6426 1 12 . 1 1 27 27 GLY C C 27 170.472 170.472 172.101 -1.629 25700 6427 1 12 . 1 1 27 27 GLY CA C 27 46.213 46.213 45.311 0.902 25700 6428 1 12 . 1 1 27 27 GLY H H 27 8.276 8.276 8.957 -0.680 25700 6429 1 12 . 1 1 28 28 ALA N N 28 122.805 122.805 123.291 -0.486 25700 6430 1 12 . 1 1 28 28 ALA HA H 28 4.898 4.898 4.932 -0.034 25700 6431 1 12 . 1 1 28 28 ALA C C 28 176.720 176.720 175.600 1.120 25700 6432 1 12 . 1 1 28 28 ALA CA C 28 50.756 50.756 50.895 -0.139 25700 6433 1 12 . 1 1 28 28 ALA CB C 28 21.482 21.482 21.688 -0.206 25700 6434 1 12 . 1 1 28 28 ALA H H 28 8.065 8.065 8.145 -0.080 25700 6435 1 12 . 1 1 29 29 GLY N N 29 106.538 106.538 107.113 -0.575 25700 6436 1 12 . 1 1 29 29 GLY C C 29 172.866 172.866 170.829 2.037 25700 6437 1 12 . 1 1 29 29 GLY CA C 29 45.538 45.538 43.204 2.334 25700 6438 1 12 . 1 1 29 29 GLY H H 29 7.654 7.654 8.751 -1.097 25700 6439 1 12 . 1 1 30 30 SER N N 30 116.216 116.216 113.129 3.087 25700 6440 1 12 . 1 1 30 30 SER HA H 30 5.564 5.564 4.401 1.163 25700 6441 1 12 . 1 1 30 30 SER C C 30 172.216 172.216 172.609 -0.393 25700 6442 1 12 . 1 1 30 30 SER CA C 30 57.505 57.505 56.601 0.904 25700 6443 1 12 . 1 1 30 30 SER CB C 30 66.321 66.321 65.766 0.555 25700 6444 1 12 . 1 1 30 30 SER H H 30 9.185 9.185 7.753 1.432 25700 6445 1 12 . 1 1 31 31 TYR N N 31 118.467 118.467 116.883 1.584 25700 6446 1 12 . 1 1 31 31 TYR HA H 31 6.035 6.035 5.013 1.022 25700 6447 1 12 . 1 1 31 31 TYR C C 31 174.138 174.138 173.921 0.217 25700 6448 1 12 . 1 1 31 31 TYR CA C 31 55.806 55.806 56.407 -0.601 25700 6449 1 12 . 1 1 31 31 TYR CB C 31 43.091 43.091 41.275 1.816 25700 6450 1 12 . 1 1 31 31 TYR H H 31 9.215 9.215 8.482 0.733 25700 6451 1 12 . 1 1 32 32 LYS N N 32 121.086 121.086 120.236 0.850 25700 6452 1 12 . 1 1 32 32 LYS HA H 32 4.772 4.772 4.900 -0.128 25700 6453 1 12 . 1 1 32 32 LYS C C 32 173.750 173.750 174.341 -0.591 25700 6454 1 12 . 1 1 32 32 LYS CA C 32 56.495 56.495 55.183 1.312 25700 6455 1 12 . 1 1 32 32 LYS CB C 32 35.800 35.800 34.540 1.260 25700 6456 1 12 . 1 1 32 32 LYS H H 32 8.904 8.904 9.397 -0.493 25700 6457 1 12 . 1 1 33 33 LEU N N 33 128.296 128.296 127.337 0.959 25700 6458 1 12 . 1 1 33 33 LEU HA H 33 5.329 5.329 4.909 0.420 25700 6459 1 12 . 1 1 33 33 LEU C C 33 173.389 173.389 174.286 -0.897 25700 6460 1 12 . 1 1 33 33 LEU CA C 33 53.547 53.547 53.187 0.360 25700 6461 1 12 . 1 1 33 33 LEU CB C 33 45.460 45.460 44.026 1.434 25700 6462 1 12 . 1 1 33 33 LEU H H 33 9.663 9.663 8.681 0.982 25700 6463 1 12 . 1 1 34 34 ALA N N 34 129.791 129.791 130.869 -1.078 25700 6464 1 12 . 1 1 34 34 ALA HA H 34 5.419 5.419 4.999 0.420 25700 6465 1 12 . 1 1 34 34 ALA C C 34 176.313 176.313 175.333 0.980 25700 6466 1 12 . 1 1 34 34 ALA CA C 34 50.605 50.605 50.172 0.433 25700 6467 1 12 . 1 1 34 34 ALA CB C 34 21.237 21.237 22.291 -1.054 25700 6468 1 12 . 1 1 34 34 ALA H H 34 9.044 9.044 9.294 -0.250 25700 6469 1 12 . 1 1 35 35 VAL N N 35 124.532 124.532 122.942 1.590 25700 6470 1 12 . 1 1 35 35 VAL HA H 35 4.844 4.844 4.452 0.392 25700 6471 1 12 . 1 1 35 35 VAL C C 35 173.511 173.511 174.423 -0.912 25700 6472 1 12 . 1 1 35 35 VAL CA C 35 61.113 61.113 60.638 0.475 25700 6473 1 12 . 1 1 35 35 VAL CB C 35 35.152 35.152 34.326 0.826 25700 6474 1 12 . 1 1 35 35 VAL H H 35 9.332 9.332 8.508 0.824 25700 6475 1 12 . 1 1 36 36 ASP N N 36 127.077 127.077 126.212 0.865 25700 6476 1 12 . 1 1 36 36 ASP HA H 36 5.560 5.560 5.356 0.204 25700 6477 1 12 . 1 1 36 36 ASP C C 36 174.146 174.146 175.027 -0.881 25700 6478 1 12 . 1 1 36 36 ASP CA C 36 53.219 53.219 52.782 0.437 25700 6479 1 12 . 1 1 36 36 ASP CB C 36 44.387 44.387 43.446 0.941 25700 6480 1 12 . 1 1 36 36 ASP H H 36 9.169 9.169 9.287 -0.118 25700 6481 1 12 . 1 1 37 37 LYS N N 37 122.568 122.568 125.934 -3.366 25700 6482 1 12 . 1 1 37 37 LYS HA H 37 4.673 4.673 5.467 -0.794 25700 6483 1 12 . 1 1 37 37 LYS C C 37 173.710 173.710 175.074 -1.364 25700 6484 1 12 . 1 1 37 37 LYS CA C 37 54.410 54.410 54.754 -0.344 25700 6485 1 12 . 1 1 37 37 LYS CB C 37 34.907 34.907 35.823 -0.916 25700 6486 1 12 . 1 1 37 37 LYS H H 37 8.665 8.665 8.487 0.178 25700 6487 1 12 . 1 1 38 38 ALA N N 38 130.221 130.221 124.777 5.444 25700 6488 1 12 . 1 1 38 38 ALA HA H 38 4.983 4.983 5.281 -0.298 25700 6489 1 12 . 1 1 38 38 ALA C C 38 176.141 176.141 175.166 0.975 25700 6490 1 12 . 1 1 38 38 ALA CA C 38 51.093 51.093 51.210 -0.117 25700 6491 1 12 . 1 1 38 38 ALA CB C 38 21.778 21.778 22.364 -0.586 25700 6492 1 12 . 1 1 38 38 ALA H H 38 8.798 8.798 8.928 -0.130 25700 6493 1 12 . 1 1 39 39 GLY N N 39 109.328 109.328 109.144 0.184 25700 6494 1 12 . 1 1 39 39 GLY C C 39 174.208 174.208 174.150 0.058 25700 6495 1 12 . 1 1 39 39 GLY CA C 39 44.645 44.645 45.054 -0.409 25700 6496 1 12 . 1 1 39 39 GLY H H 39 7.851 7.851 8.668 -0.817 25700 6497 1 12 . 1 1 40 40 ALA N N 40 125.088 125.088 122.446 2.642 25700 6498 1 12 . 1 1 40 40 ALA HA H 40 4.051 4.051 4.217 -0.166 25700 6499 1 12 . 1 1 40 40 ALA C C 40 178.917 178.917 178.786 0.131 25700 6500 1 12 . 1 1 40 40 ALA CA C 40 54.841 54.841 54.018 0.823 25700 6501 1 12 . 1 1 40 40 ALA CB C 40 18.293 18.293 18.697 -0.404 25700 6502 1 12 . 1 1 40 40 ALA H H 40 8.766 8.766 8.433 0.333 25700 6503 1 12 . 1 1 41 41 ALA N N 41 117.569 117.569 120.007 -2.438 25700 6504 1 12 . 1 1 41 41 ALA HA H 41 4.419 4.419 4.308 0.111 25700 6505 1 12 . 1 1 41 41 ALA C C 41 177.136 177.136 177.435 -0.299 25700 6506 1 12 . 1 1 41 41 ALA CA C 41 51.929 51.929 52.060 -0.131 25700 6507 1 12 . 1 1 41 41 ALA CB C 41 18.774 18.774 19.075 -0.301 25700 6508 1 12 . 1 1 41 41 ALA H H 41 8.300 8.300 7.974 0.326 25700 6509 1 12 . 1 1 42 42 GLY N N 42 106.796 106.796 106.747 0.049 25700 6510 1 12 . 1 1 42 42 GLY C C 42 173.379 173.379 172.458 0.921 25700 6511 1 12 . 1 1 42 42 GLY CA C 42 44.336 44.336 44.314 0.022 25700 6512 1 12 . 1 1 42 42 GLY H H 42 7.577 7.577 7.583 -0.006 25700 6513 1 12 . 1 1 43 43 THR N N 43 116.541 116.541 112.366 4.175 25700 6514 1 12 . 1 1 43 43 THR HA H 43 5.263 5.263 5.354 -0.091 25700 6515 1 12 . 1 1 43 43 THR C C 43 174.244 174.244 174.086 0.158 25700 6516 1 12 . 1 1 43 43 THR CA C 43 61.137 61.137 60.446 0.691 25700 6517 1 12 . 1 1 43 43 THR CB C 43 70.759 70.759 71.543 -0.784 25700 6518 1 12 . 1 1 43 43 THR H H 43 8.526 8.526 8.255 0.271 25700 6519 1 12 . 1 1 44 44 SER N N 44 120.903 120.903 117.002 3.901 25700 6520 1 12 . 1 1 44 44 SER HA H 44 4.759 4.759 4.699 0.060 25700 6521 1 12 . 1 1 44 44 SER C C 44 172.241 172.241 173.159 -0.918 25700 6522 1 12 . 1 1 44 44 SER CA C 44 57.340 57.340 57.614 -0.274 25700 6523 1 12 . 1 1 44 44 SER CB C 44 65.568 65.568 66.369 -0.801 25700 6524 1 12 . 1 1 44 44 SER H H 44 8.904 8.904 8.930 -0.026 25700 6525 1 12 . 1 1 45 45 ARG N N 45 124.546 124.546 124.780 -0.234 25700 6526 1 12 . 1 1 45 45 ARG HA H 45 5.489 5.489 4.631 0.858 25700 6527 1 12 . 1 1 45 45 ARG C C 45 175.520 175.520 175.776 -0.256 25700 6528 1 12 . 1 1 45 45 ARG CA C 45 55.101 55.101 55.184 -0.082 25700 6529 1 12 . 1 1 45 45 ARG CB C 45 32.760 32.760 30.652 2.107 25700 6530 1 12 . 1 1 45 45 ARG H H 45 8.579 8.579 8.601 -0.022 25700 6531 1 12 . 1 1 46 46 ILE N N 46 127.920 127.920 127.162 0.758 25700 6532 1 12 . 1 1 46 46 ILE HA H 46 4.460 4.460 4.349 0.111 25700 6533 1 12 . 1 1 46 46 ILE C C 46 174.450 174.450 174.481 -0.031 25700 6534 1 12 . 1 1 46 46 ILE CA C 46 60.220 60.220 60.334 -0.114 25700 6535 1 12 . 1 1 46 46 ILE CB C 46 41.290 41.290 40.366 0.924 25700 6536 1 12 . 1 1 46 46 ILE H H 46 9.344 9.344 8.978 0.366 25700 6537 1 12 . 1 1 47 47 LYS N N 47 126.061 126.061 127.936 -1.875 25700 6538 1 12 . 1 1 47 47 LYS HA H 47 5.514 5.514 4.731 0.782 25700 6539 1 12 . 1 1 47 47 LYS C C 47 175.790 175.790 175.162 0.628 25700 6540 1 12 . 1 1 47 47 LYS CA C 47 54.870 54.870 56.019 -1.149 25700 6541 1 12 . 1 1 47 47 LYS CB C 47 35.386 35.386 34.550 0.836 25700 6542 1 12 . 1 1 47 47 LYS H H 47 8.734 8.734 8.589 0.145 25700 6543 1 12 . 1 1 48 48 GLN N N 48 122.633 122.633 126.745 -4.112 25700 6544 1 12 . 1 1 48 48 GLN HA H 48 4.669 4.669 4.668 0.001 25700 6545 1 12 . 1 1 48 48 GLN C C 48 173.659 173.659 173.860 -0.201 25700 6546 1 12 . 1 1 48 48 GLN CA C 48 54.895 54.895 54.965 -0.070 25700 6547 1 12 . 1 1 48 48 GLN CB C 48 33.072 33.072 32.434 0.638 25700 6548 1 12 . 1 1 48 48 GLN H H 48 9.228 9.228 9.020 0.208 25700 6549 1 12 . 1 1 49 49 ALA N N 49 125.634 125.634 126.008 -0.374 25700 6550 1 12 . 1 1 49 49 ALA HA H 49 4.544 4.544 5.012 -0.468 25700 6551 1 12 . 1 1 49 49 ALA C C 49 175.881 175.881 176.388 -0.507 25700 6552 1 12 . 1 1 49 49 ALA CA C 49 50.993 50.993 51.039 -0.046 25700 6553 1 12 . 1 1 49 49 ALA CB C 49 22.620 22.620 21.325 1.295 25700 6554 1 12 . 1 1 49 49 ALA H H 49 8.557 8.557 8.508 0.049 25700 6555 1 12 . 1 1 50 50 GLY N N 50 105.483 105.483 107.921 -2.438 25700 6556 1 12 . 1 1 50 50 GLY C C 50 170.217 170.217 171.695 -1.478 25700 6557 1 12 . 1 1 50 50 GLY CA C 50 45.670 45.670 46.048 -0.378 25700 6558 1 12 . 1 1 50 50 GLY H H 50 6.865 6.865 8.237 -1.372 25700 6559 1 12 . 1 1 51 51 ALA N N 51 122.908 122.908 121.843 1.065 25700 6560 1 12 . 1 1 51 51 ALA HA H 51 5.265 5.265 4.697 0.568 25700 6561 1 12 . 1 1 51 51 ALA C C 51 176.793 176.793 175.094 1.699 25700 6562 1 12 . 1 1 51 51 ALA CA C 51 50.736 50.736 50.955 -0.219 25700 6563 1 12 . 1 1 51 51 ALA CB C 51 21.840 21.840 21.753 0.087 25700 6564 1 12 . 1 1 51 51 ALA H H 51 8.522 8.522 8.082 0.440 25700 6565 1 12 . 1 1 52 52 PHE N N 52 115.156 115.156 119.447 -4.291 25700 6566 1 12 . 1 1 52 52 PHE HA H 52 5.106 5.106 4.830 0.276 25700 6567 1 12 . 1 1 52 52 PHE C C 52 172.832 172.832 173.743 -0.911 25700 6568 1 12 . 1 1 52 52 PHE CA C 52 56.890 56.890 57.028 -0.138 25700 6569 1 12 . 1 1 52 52 PHE CB C 52 42.428 42.428 42.358 0.070 25700 6570 1 12 . 1 1 52 52 PHE H H 52 8.191 8.191 8.904 -0.713 25700 6571 1 12 . 1 1 53 53 THR N N 53 116.180 116.180 115.723 0.457 25700 6572 1 12 . 1 1 53 53 THR HA H 53 4.631 4.631 4.477 0.154 25700 6573 1 12 . 1 1 53 53 THR C C 53 172.769 172.769 173.174 -0.405 25700 6574 1 12 . 1 1 53 53 THR CA C 53 61.610 61.610 61.071 0.539 25700 6575 1 12 . 1 1 53 53 THR CB C 53 70.736 70.736 68.740 1.996 25700 6576 1 12 . 1 1 53 53 THR H H 53 8.650 8.650 6.679 1.971 25700 6577 1 12 . 1 1 54 54 ALA N N 54 127.969 127.969 127.935 0.034 25700 6578 1 12 . 1 1 54 54 ALA HA H 54 4.748 4.748 4.730 0.018 25700 6579 1 12 . 1 1 54 54 ALA C C 54 176.369 176.369 174.793 1.576 25700 6580 1 12 . 1 1 54 54 ALA CA C 54 51.397 51.397 50.769 0.628 25700 6581 1 12 . 1 1 54 54 ALA CB C 54 22.010 22.010 22.565 -0.555 25700 6582 1 12 . 1 1 54 54 ALA H H 54 9.353 9.353 8.844 0.509 25700 6583 1 12 . 1 1 55 55 ILE N N 55 123.326 123.326 120.941 2.385 25700 6584 1 12 . 1 1 55 55 ILE HA H 55 4.391 4.391 4.382 0.009 25700 6585 1 12 . 1 1 55 55 ILE C C 55 176.079 176.079 175.490 0.589 25700 6586 1 12 . 1 1 55 55 ILE CA C 55 59.138 59.138 59.799 -0.661 25700 6587 1 12 . 1 1 55 55 ILE CB C 55 39.451 39.451 41.216 -1.765 25700 6588 1 12 . 1 1 55 55 ILE H H 55 7.856 7.856 8.562 -0.706 25700 6589 1 12 . 1 1 56 56 ALA N N 56 130.280 130.280 127.976 2.304 25700 6590 1 12 . 1 1 56 56 ALA HA H 56 3.493 3.493 4.356 -0.863 25700 6591 1 12 . 1 1 56 56 ALA C C 56 177.405 177.405 177.697 -0.292 25700 6592 1 12 . 1 1 56 56 ALA CA C 56 54.156 54.156 52.288 1.867 25700 6593 1 12 . 1 1 56 56 ALA CB C 56 18.871 18.871 18.837 0.034 25700 6594 1 12 . 1 1 56 56 ALA H H 56 9.104 9.104 8.440 0.664 25700 6595 1 12 . 1 1 57 57 GLU N N 57 113.081 113.081 119.703 -6.622 25700 6596 1 12 . 1 1 57 57 GLU HA H 57 3.614 3.614 3.795 -0.181 25700 6597 1 12 . 1 1 57 57 GLU C C 57 174.959 174.959 175.368 -0.409 25700 6598 1 12 . 1 1 57 57 GLU CA C 57 58.080 58.080 57.523 0.557 25700 6599 1 12 . 1 1 57 57 GLU CB C 57 27.141 27.141 28.177 -1.036 25700 6600 1 12 . 1 1 57 57 GLU H H 57 9.007 9.007 8.929 0.078 25700 6601 1 12 . 1 1 58 58 GLN N N 58 119.796 119.796 117.475 2.321 25700 6602 1 12 . 1 1 58 58 GLN HA H 58 4.519 4.519 4.688 -0.169 25700 6603 1 12 . 1 1 58 58 GLN C C 58 175.217 175.217 174.640 0.577 25700 6604 1 12 . 1 1 58 58 GLN CA C 58 54.379 54.379 53.663 0.716 25700 6605 1 12 . 1 1 58 58 GLN CB C 58 30.102 30.102 32.116 -2.014 25700 6606 1 12 . 1 1 58 58 GLN H H 58 8.061 8.061 7.689 0.372 25700 6607 1 12 . 1 1 59 59 ARG N N 59 124.810 124.810 123.398 1.412 25700 6608 1 12 . 1 1 59 59 ARG HA H 59 4.286 4.286 4.510 -0.224 25700 6609 1 12 . 1 1 59 59 ARG C C 59 176.396 176.396 176.042 0.354 25700 6610 1 12 . 1 1 59 59 ARG CA C 59 56.810 56.810 55.620 1.190 25700 6611 1 12 . 1 1 59 59 ARG CB C 59 30.906 30.906 30.752 0.154 25700 6612 1 12 . 1 1 59 59 ARG H H 59 8.486 8.486 8.588 -0.102 25700 6613 1 12 . 1 1 60 60 VAL N N 60 127.238 127.238 127.445 -0.207 25700 6614 1 12 . 1 1 60 60 VAL HA H 60 4.319 4.319 4.401 -0.082 25700 6615 1 12 . 1 1 60 60 VAL C C 60 174.543 174.543 174.956 -0.413 25700 6616 1 12 . 1 1 60 60 VAL CA C 60 61.227 61.227 61.156 0.071 25700 6617 1 12 . 1 1 60 60 VAL CB C 60 34.177 34.177 34.258 -0.081 25700 6618 1 12 . 1 1 60 60 VAL H H 60 9.033 9.033 9.026 0.007 25700 6619 1 12 . 1 1 61 61 THR N N 61 120.913 120.913 124.408 -3.495 25700 6620 1 12 . 1 1 61 61 THR HA H 61 5.096 5.096 4.590 0.506 25700 6621 1 12 . 1 1 61 61 THR C C 61 174.645 174.645 173.413 1.232 25700 6622 1 12 . 1 1 61 61 THR CA C 61 60.686 60.686 62.155 -1.469 25700 6623 1 12 . 1 1 61 61 THR CB C 61 69.710 69.710 69.533 0.177 25700 6624 1 12 . 1 1 61 61 THR H H 61 8.340 8.340 8.599 -0.259 25700 6625 1 12 . 1 1 62 62 VAL N N 62 117.650 117.650 126.264 -8.614 25700 6626 1 12 . 1 1 62 62 VAL HA H 62 4.294 4.294 4.115 0.179 25700 6627 1 12 . 1 1 62 62 VAL C C 62 174.530 174.530 174.937 -0.407 25700 6628 1 12 . 1 1 62 62 VAL CA C 62 58.641 58.641 60.858 -2.217 25700 6629 1 12 . 1 1 62 62 VAL CB C 62 34.263 34.263 34.803 -0.540 25700 6630 1 12 . 1 1 62 62 VAL H H 62 8.658 8.658 9.049 -0.391 25700 6631 1 12 . 1 1 63 63 GLY N N 63 107.924 107.924 114.037 -6.113 25700 6632 1 12 . 1 1 63 63 GLY C C 63 172.475 172.475 173.255 -0.780 25700 6633 1 12 . 1 1 63 63 GLY CA C 63 43.668 43.668 44.889 -1.221 25700 6634 1 12 . 1 1 63 63 GLY H H 63 7.857 7.857 8.439 -0.582 25700 6635 1 12 . 1 1 64 64 ASN N N 64 116.073 116.073 120.771 -4.698 25700 6636 1 12 . 1 1 64 64 ASN HA H 64 4.530 4.530 4.890 -0.360 25700 6637 1 12 . 1 1 64 64 ASN C C 64 173.307 173.307 175.031 -1.724 25700 6638 1 12 . 1 1 64 64 ASN CA C 64 55.380 55.380 52.694 2.686 25700 6639 1 12 . 1 1 64 64 ASN CB C 64 39.159 39.159 38.408 0.751 25700 6640 1 12 . 1 1 64 64 ASN H H 64 8.933 8.933 8.065 0.868 25700 6641 1 12 . 1 1 65 65 VAL N N 65 126.612 126.612 122.605 4.007 25700 6642 1 12 . 1 1 65 65 VAL HA H 65 4.238 4.238 4.552 -0.314 25700 6643 1 12 . 1 1 65 65 VAL C C 65 173.538 173.538 173.478 0.060 25700 6644 1 12 . 1 1 65 65 VAL CA C 65 61.970 61.970 59.703 2.267 25700 6645 1 12 . 1 1 65 65 VAL CB C 65 33.829 33.829 35.114 -1.285 25700 6646 1 12 . 1 1 65 65 VAL H H 65 8.548 8.548 8.911 -0.363 25700 6647 1 12 . 1 1 66 66 VAL N N 66 127.886 127.886 125.832 2.054 25700 6648 1 12 . 1 1 66 66 VAL HA H 66 4.990 4.990 4.580 0.410 25700 6649 1 12 . 1 1 66 66 VAL C C 66 175.271 175.271 175.743 -0.472 25700 6650 1 12 . 1 1 66 66 VAL CA C 66 61.360 61.360 60.343 1.016 25700 6651 1 12 . 1 1 66 66 VAL CB C 66 32.923 32.923 32.765 0.158 25700 6652 1 12 . 1 1 66 66 VAL H H 66 8.364 8.364 8.289 0.075 25700 6653 1 12 . 1 1 67 67 LEU N N 67 126.454 126.454 128.284 -1.830 25700 6654 1 12 . 1 1 67 67 LEU HA H 67 4.955 4.955 4.760 0.195 25700 6655 1 12 . 1 1 67 67 LEU C C 67 176.547 176.547 175.958 0.589 25700 6656 1 12 . 1 1 67 67 LEU CA C 67 52.492 52.492 52.178 0.314 25700 6657 1 12 . 1 1 67 67 LEU CB C 67 46.685 46.685 43.114 3.571 25700 6658 1 12 . 1 1 67 67 LEU H H 67 9.050 9.050 9.174 -0.124 25700 6659 1 12 . 1 1 68 68 ASP N N 68 119.799 119.799 119.382 0.417 25700 6660 1 12 . 1 1 68 68 ASP HA H 68 4.609 4.609 4.395 0.214 25700 6661 1 12 . 1 1 68 68 ASP C C 68 176.247 176.247 175.752 0.495 25700 6662 1 12 . 1 1 68 68 ASP CA C 68 55.492 55.492 53.438 2.054 25700 6663 1 12 . 1 1 68 68 ASP CB C 68 40.566 40.566 40.862 -0.296 25700 6664 1 12 . 1 1 68 68 ASP H H 68 8.722 8.722 8.630 0.092 25700 6665 1 12 . 1 1 69 69 TYR N N 69 123.398 123.398 125.973 -2.575 25700 6666 1 12 . 1 1 69 69 TYR HA H 69 4.651 4.651 4.554 0.097 25700 6667 1 12 . 1 1 69 69 TYR C C 69 174.253 174.253 173.937 0.316 25700 6668 1 12 . 1 1 69 69 TYR CA C 69 57.767 57.767 58.578 -0.811 25700 6669 1 12 . 1 1 69 69 TYR CB C 69 40.067 40.067 39.049 1.018 25700 6670 1 12 . 1 1 69 69 TYR H H 69 8.603 8.603 8.081 0.522 25700 6671 1 12 . 1 1 70 70 SER N N 70 121.308 121.308 122.037 -0.729 25700 6672 1 12 . 1 1 70 70 SER HA H 70 4.059 4.059 4.115 -0.056 25700 6673 1 12 . 1 1 70 70 SER C C 70 174.851 174.851 174.036 0.815 25700 6674 1 12 . 1 1 70 70 SER CA C 70 56.341 56.341 56.566 -0.225 25700 6675 1 12 . 1 1 70 70 SER CB C 70 64.634 64.634 65.544 -0.910 25700 6676 1 12 . 1 1 70 70 SER H H 70 6.749 6.749 8.296 -1.547 25700 6677 1 12 . 1 1 71 71 SER N N 71 122.764 122.764 118.248 4.516 25700 6678 1 12 . 1 1 71 71 SER HA H 71 4.221 4.221 4.258 -0.037 25700 6679 1 12 . 1 1 71 71 SER C C 71 174.098 174.098 174.595 -0.497 25700 6680 1 12 . 1 1 71 71 SER CA C 71 60.326 60.326 59.716 0.610 25700 6681 1 12 . 1 1 71 71 SER CB C 71 62.814 62.814 63.175 -0.361 25700 6682 1 12 . 1 1 71 71 SER H H 71 8.907 8.907 8.168 0.739 25700 6683 1 12 . 1 1 72 72 ALA N N 72 122.199 122.199 120.779 1.420 25700 6684 1 12 . 1 1 72 72 ALA HA H 72 4.320 4.320 4.340 -0.020 25700 6685 1 12 . 1 1 72 72 ALA C C 72 177.749 177.749 176.594 1.155 25700 6686 1 12 . 1 1 72 72 ALA CA C 72 52.283 52.283 51.499 0.784 25700 6687 1 12 . 1 1 72 72 ALA CB C 72 18.950 18.950 19.190 -0.240 25700 6688 1 12 . 1 1 72 72 ALA H H 72 7.869 7.869 7.634 0.235 25700 6689 1 12 . 1 1 73 73 ASN N N 73 116.297 116.297 118.069 -1.772 25700 6690 1 12 . 1 1 73 73 ASN HA H 73 5.076 5.076 4.542 0.534 25700 6691 1 12 . 1 1 73 73 ASN C C 73 173.794 173.794 174.505 -0.711 25700 6692 1 12 . 1 1 73 73 ASN CA C 73 51.612 51.612 52.464 -0.852 25700 6693 1 12 . 1 1 73 73 ASN CB C 73 40.647 40.647 39.859 0.788 25700 6694 1 12 . 1 1 73 73 ASN H H 73 7.265 7.265 7.555 -0.290 25700 6695 1 12 . 1 1 74 74 ARG N N 74 118.937 118.937 123.068 -4.131 25700 6696 1 12 . 1 1 74 74 ARG HA H 74 4.684 4.684 4.460 0.224 25700 6697 1 12 . 1 1 74 74 ARG C C 74 174.943 174.943 174.157 0.786 25700 6698 1 12 . 1 1 74 74 ARG CA C 74 54.523 54.523 54.169 0.354 25700 6699 1 12 . 1 1 74 74 ARG CB C 74 32.331 32.331 29.550 2.780 25700 6700 1 12 . 1 1 74 74 ARG H H 74 8.529 8.529 8.231 0.298 25700 6701 1 12 . 1 1 75 75 TYR N N 75 122.282 122.282 124.363 -2.081 25700 6702 1 12 . 1 1 75 75 TYR HA H 75 5.159 5.159 5.098 0.061 25700 6703 1 12 . 1 1 75 75 TYR C C 75 173.593 173.593 174.234 -0.641 25700 6704 1 12 . 1 1 75 75 TYR CA C 75 57.080 57.080 56.917 0.163 25700 6705 1 12 . 1 1 75 75 TYR CB C 75 41.202 41.202 40.916 0.286 25700 6706 1 12 . 1 1 75 75 TYR H H 75 8.691 8.691 8.271 0.420 25700 6707 1 12 . 1 1 76 76 ALA N N 76 122.606 122.606 124.696 -2.090 25700 6708 1 12 . 1 1 76 76 ALA HA H 76 4.788 4.788 4.882 -0.094 25700 6709 1 12 . 1 1 76 76 ALA C C 76 175.765 175.765 174.838 0.927 25700 6710 1 12 . 1 1 76 76 ALA CA C 76 50.543 50.543 49.947 0.596 25700 6711 1 12 . 1 1 76 76 ALA CB C 76 23.070 23.070 22.967 0.103 25700 6712 1 12 . 1 1 76 76 ALA H H 76 8.688 8.688 9.347 -0.659 25700 6713 1 12 . 1 1 77 77 ALA N N 77 119.325 119.325 120.736 -1.411 25700 6714 1 12 . 1 1 77 77 ALA HA H 77 5.488 5.488 5.325 0.163 25700 6715 1 12 . 1 1 77 77 ALA C C 77 174.473 174.473 175.396 -0.923 25700 6716 1 12 . 1 1 77 77 ALA CA C 77 51.813 51.813 51.133 0.680 25700 6717 1 12 . 1 1 77 77 ALA CB C 77 24.137 24.137 22.911 1.226 25700 6718 1 12 . 1 1 77 77 ALA H H 77 8.584 8.584 8.215 0.369 25700 6719 1 12 . 1 1 78 78 ARG N N 78 122.822 122.822 118.983 3.839 25700 6720 1 12 . 1 1 78 78 ARG HA H 78 4.938 4.938 5.501 -0.563 25700 6721 1 12 . 1 1 78 78 ARG C C 78 173.170 173.170 173.956 -0.786 25700 6722 1 12 . 1 1 78 78 ARG CA C 78 54.890 54.890 55.504 -0.614 25700 6723 1 12 . 1 1 78 78 ARG CB C 78 34.467 34.467 32.529 1.938 25700 6724 1 12 . 1 1 78 78 ARG H H 78 8.807 8.807 9.233 -0.426 25700 6725 1 12 . 1 1 79 79 LEU N N 79 130.548 130.548 127.130 3.418 25700 6726 1 12 . 1 1 79 79 LEU HA H 79 5.440 5.440 5.292 0.148 25700 6727 1 12 . 1 1 79 79 LEU C C 79 173.434 173.434 174.819 -1.385 25700 6728 1 12 . 1 1 79 79 LEU CA C 79 53.186 53.186 53.407 -0.221 25700 6729 1 12 . 1 1 79 79 LEU CB C 79 45.369 45.369 45.542 -0.173 25700 6730 1 12 . 1 1 79 79 LEU H H 79 9.055 9.055 9.088 -0.033 25700 6731 1 12 . 1 1 80 80 ASP N N 80 125.928 125.928 128.679 -2.751 25700 6732 1 12 . 1 1 80 80 ASP HA H 80 5.480 5.480 5.448 0.032 25700 6733 1 12 . 1 1 80 80 ASP C C 80 175.805 175.805 175.675 0.130 25700 6734 1 12 . 1 1 80 80 ASP CA C 80 53.794 53.794 54.078 -0.284 25700 6735 1 12 . 1 1 80 80 ASP CB C 80 44.119 44.119 42.049 2.070 25700 6736 1 12 . 1 1 80 80 ASP H H 80 9.251 9.251 9.164 0.087 25700 6737 1 12 . 1 1 81 81 VAL N N 81 123.295 123.295 125.677 -2.382 25700 6738 1 12 . 1 1 81 81 VAL HA H 81 4.843 4.843 4.477 0.366 25700 6739 1 12 . 1 1 81 81 VAL C C 81 174.136 174.136 174.712 -0.576 25700 6740 1 12 . 1 1 81 81 VAL CA C 81 61.438 61.438 61.998 -0.560 25700 6741 1 12 . 1 1 81 81 VAL CB C 81 35.299 35.299 31.930 3.369 25700 6742 1 12 . 1 1 81 81 VAL H H 81 8.947 8.947 8.678 0.269 25700 6743 1 12 . 1 1 82 82 SER N N 82 122.698 122.698 123.811 -1.113 25700 6744 1 12 . 1 1 82 82 SER HA H 82 5.380 5.380 5.311 0.069 25700 6745 1 12 . 1 1 82 82 SER C C 82 173.016 173.016 173.432 -0.416 25700 6746 1 12 . 1 1 82 82 SER CA C 82 57.195 57.195 56.433 0.762 25700 6747 1 12 . 1 1 82 82 SER CB C 82 64.477 64.477 64.265 0.212 25700 6748 1 12 . 1 1 82 82 SER H H 82 9.026 9.026 8.717 0.309 25700 6749 1 12 . 1 1 83 83 PHE N N 83 127.305 127.305 128.400 -1.095 25700 6750 1 12 . 1 1 83 83 PHE HA H 83 4.781 4.781 4.993 -0.212 25700 6751 1 12 . 1 1 83 83 PHE C C 83 174.741 174.741 175.635 -0.894 25700 6752 1 12 . 1 1 83 83 PHE CA C 83 57.376 57.376 56.851 0.525 25700 6753 1 12 . 1 1 83 83 PHE CB C 83 42.094 42.094 41.010 1.084 25700 6754 1 12 . 1 1 83 83 PHE H H 83 9.012 9.012 8.828 0.184 25700 6755 1 12 . 1 1 84 84 GLY N N 84 117.337 117.337 116.698 0.639 25700 6756 1 12 . 1 1 84 84 GLY C C 84 175.295 175.295 175.169 0.126 25700 6757 1 12 . 1 1 84 84 GLY CA C 84 47.086 47.086 46.625 0.461 25700 6758 1 12 . 1 1 84 84 GLY H H 84 8.784 8.784 8.584 0.200 25700 6759 1 12 . 1 1 85 85 SER N N 85 120.553 120.553 119.343 1.210 25700 6760 1 12 . 1 1 85 85 SER HA H 85 4.383 4.383 4.482 -0.099 25700 6761 1 12 . 1 1 85 85 SER C C 85 173.796 173.796 174.735 -0.939 25700 6762 1 12 . 1 1 85 85 SER CA C 85 59.095 59.095 58.453 0.642 25700 6763 1 12 . 1 1 85 85 SER CB C 85 63.360 63.360 64.127 -0.767 25700 6764 1 12 . 1 1 85 85 SER H H 85 8.687 8.687 8.324 0.363 25700 6765 1 12 . 1 1 86 86 VAL N N 86 121.297 121.297 123.709 -2.412 25700 6766 1 12 . 1 1 86 86 VAL HA H 86 4.504 4.504 4.283 0.221 25700 6767 1 12 . 1 1 86 86 VAL C C 86 174.888 174.888 173.911 0.977 25700 6768 1 12 . 1 1 86 86 VAL CA C 86 61.610 61.610 61.522 0.089 25700 6769 1 12 . 1 1 86 86 VAL CB C 86 34.210 34.210 32.809 1.401 25700 6770 1 12 . 1 1 86 86 VAL H H 86 7.963 7.963 7.592 0.371 25700 6771 1 12 . 1 1 87 87 THR N N 87 119.631 119.631 124.347 -4.716 25700 6772 1 12 . 1 1 87 87 THR HA H 87 5.551 5.551 5.479 0.072 25700 6773 1 12 . 1 1 87 87 THR C C 87 174.271 174.271 173.461 0.810 25700 6774 1 12 . 1 1 87 87 THR CA C 87 60.550 60.550 61.210 -0.660 25700 6775 1 12 . 1 1 87 87 THR CB C 87 71.350 71.350 70.112 1.238 25700 6776 1 12 . 1 1 87 87 THR H H 87 8.302 8.302 8.413 -0.111 25700 6777 1 12 . 1 1 88 88 ILE N N 88 118.811 118.811 122.191 -3.380 25700 6778 1 12 . 1 1 88 88 ILE HA H 88 4.858 4.858 4.749 0.109 25700 6779 1 12 . 1 1 88 88 ILE C C 88 174.300 174.300 173.222 1.078 25700 6780 1 12 . 1 1 88 88 ILE CA C 88 59.380 59.380 58.734 0.646 25700 6781 1 12 . 1 1 88 88 ILE CB C 88 43.170 43.170 41.917 1.253 25700 6782 1 12 . 1 1 88 88 ILE H H 88 8.986 8.986 8.863 0.123 25700 6783 1 12 . 1 1 89 89 GLN N N 89 120.806 120.806 117.586 3.220 25700 6784 1 12 . 1 1 89 89 GLN HA H 89 5.814 5.814 5.511 0.303 25700 6785 1 12 . 1 1 89 89 GLN C C 89 175.021 175.021 174.337 0.684 25700 6786 1 12 . 1 1 89 89 GLN CA C 89 54.171 54.171 54.309 -0.137 25700 6787 1 12 . 1 1 89 89 GLN CB C 89 34.262 34.262 32.661 1.601 25700 6788 1 12 . 1 1 89 89 GLN H H 89 8.481 8.481 8.166 0.315 25700 6789 1 12 . 1 1 90 90 CYS N N 90 118.531 118.531 121.159 -2.628 25700 6790 1 12 . 1 1 90 90 CYS HA H 90 5.010 5.010 4.918 0.092 25700 6791 1 12 . 1 1 90 90 CYS C C 90 172.402 172.402 172.811 -0.409 25700 6792 1 12 . 1 1 90 90 CYS CA C 90 54.874 54.874 58.037 -3.163 25700 6793 1 12 . 1 1 90 90 CYS CB C 90 50.267 50.267 31.409 18.858 25700 6794 1 12 . 1 1 90 90 CYS H H 90 9.151 9.151 8.878 0.273 25700 6795 1 12 . 1 1 91 91 ASN N N 91 116.449 116.449 118.192 -1.743 25700 6796 1 12 . 1 1 91 91 ASN HA H 91 5.615 5.615 5.477 0.138 25700 6797 1 12 . 1 1 91 91 ASN C C 91 174.994 174.994 173.945 1.049 25700 6798 1 12 . 1 1 91 91 ASN CA C 91 52.484 52.484 52.131 0.353 25700 6799 1 12 . 1 1 91 91 ASN CB C 91 43.331 43.331 40.677 2.654 25700 6800 1 12 . 1 1 91 91 ASN H H 91 8.791 8.791 8.499 0.292 25700 6801 1 12 . 1 1 92 92 LEU N N 92 123.391 123.391 122.012 1.379 25700 6802 1 12 . 1 1 92 92 LEU HA H 92 4.286 4.286 4.415 -0.129 25700 6803 1 12 . 1 1 92 92 LEU C C 92 176.188 176.188 176.438 -0.250 25700 6804 1 12 . 1 1 92 92 LEU CA C 92 54.863 54.863 54.825 0.038 25700 6805 1 12 . 1 1 92 92 LEU CB C 92 45.064 45.064 43.157 1.907 25700 6806 1 12 . 1 1 92 92 LEU H H 92 8.597 8.597 8.692 -0.095 25700 6807 1 12 . 1 1 93 93 ASP N N 93 129.020 129.020 128.191 0.829 25700 6808 1 12 . 1 1 93 93 ASP HA H 93 5.160 5.160 4.931 0.229 25700 6809 1 12 . 1 1 93 93 ASP C C 93 175.761 175.761 175.497 0.264 25700 6810 1 12 . 1 1 93 93 ASP CA C 93 50.948 50.948 52.460 -1.512 25700 6811 1 12 . 1 1 93 93 ASP CB C 93 41.136 41.136 41.389 -0.253 25700 6812 1 12 . 1 1 93 93 ASP H H 93 9.146 9.146 8.627 0.519 25700 6813 1 12 . 1 1 94 94 PRO HA H 94 4.304 4.304 4.593 -0.289 25700 6814 1 12 . 1 1 94 94 PRO C C 94 178.637 178.637 178.211 0.426 25700 6815 1 12 . 1 1 94 94 PRO CA C 94 64.830 64.830 64.701 0.129 25700 6816 1 12 . 1 1 94 94 PRO CB C 94 32.579 32.579 32.138 0.441 25700 6817 1 12 . 1 1 95 95 GLU N N 95 116.747 116.747 116.616 0.131 25700 6818 1 12 . 1 1 95 95 GLU HA H 95 4.223 4.223 4.243 -0.020 25700 6819 1 12 . 1 1 95 95 GLU C C 95 177.994 177.994 176.959 1.035 25700 6820 1 12 . 1 1 95 95 GLU CA C 95 57.773 57.773 57.428 0.345 25700 6821 1 12 . 1 1 95 95 GLU CB C 95 29.084 29.084 28.357 0.727 25700 6822 1 12 . 1 1 95 95 GLU H H 95 8.358 8.358 8.835 -0.477 25700 6823 1 12 . 1 1 96 96 THR N N 96 109.182 109.182 108.444 0.738 25700 6824 1 12 . 1 1 96 96 THR HA H 96 4.169 4.169 4.456 -0.287 25700 6825 1 12 . 1 1 96 96 THR C C 96 175.238 175.238 175.699 -0.461 25700 6826 1 12 . 1 1 96 96 THR CA C 96 63.038 63.038 62.488 0.550 25700 6827 1 12 . 1 1 96 96 THR CB C 96 69.640 69.640 69.746 -0.106 25700 6828 1 12 . 1 1 96 96 THR H H 96 7.951 7.951 8.056 -0.105 25700 6829 1 12 . 1 1 97 97 VAL N N 97 121.118 121.118 121.602 -0.484 25700 6830 1 12 . 1 1 97 97 VAL HA H 97 3.770 3.770 3.848 -0.078 25700 6831 1 12 . 1 1 97 97 VAL C C 97 174.851 174.851 176.630 -1.779 25700 6832 1 12 . 1 1 97 97 VAL CA C 97 63.272 63.272 64.704 -1.432 25700 6833 1 12 . 1 1 97 97 VAL CB C 97 30.627 30.627 31.592 -0.965 25700 6834 1 12 . 1 1 97 97 VAL H H 97 7.175 7.175 7.377 -0.202 25700 6835 1 12 . 1 1 98 98 LYS N N 98 123.245 123.245 120.963 2.282 25700 6836 1 12 . 1 1 98 98 LYS HA H 98 4.385 4.385 4.359 0.026 25700 6837 1 12 . 1 1 98 98 LYS C C 98 175.612 175.612 175.893 -0.281 25700 6838 1 12 . 1 1 98 98 LYS CA C 98 55.812 55.812 55.692 0.120 25700 6839 1 12 . 1 1 98 98 LYS CB C 98 33.804 33.804 30.282 3.522 25700 6840 1 12 . 1 1 98 98 LYS H H 98 7.712 7.712 8.087 -0.375 25700 6841 1 12 . 1 1 99 99 LEU N N 99 122.457 122.457 120.034 2.423 25700 6842 1 12 . 1 1 99 99 LEU HA H 99 4.123 4.123 3.963 0.160 25700 6843 1 12 . 1 1 99 99 LEU C C 99 177.160 177.160 176.363 0.797 25700 6844 1 12 . 1 1 99 99 LEU CA C 99 55.309 55.309 54.867 0.442 25700 6845 1 12 . 1 1 99 99 LEU CB C 99 42.319 42.319 40.729 1.590 25700 6846 1 12 . 1 1 99 99 LEU H H 99 8.110 8.110 8.445 -0.335 25700 6847 1 12 . 1 1 100 100 GLU N N 100 120.800 120.800 123.852 -3.052 25700 6848 1 12 . 1 1 100 100 GLU HA H 100 4.151 4.151 3.976 0.175 25700 6849 1 12 . 1 1 100 100 GLU C C 100 176.070 176.070 176.724 -0.654 25700 6850 1 12 . 1 1 100 100 GLU CA C 100 56.740 56.740 57.004 -0.264 25700 6851 1 12 . 1 1 100 100 GLU CB C 100 30.060 30.060 30.098 -0.038 25700 6852 1 12 . 1 1 100 100 GLU H H 100 8.340 8.340 8.350 -0.010 25700 6853 1 13 . 1 1 2 2 VAL N N 2 123.080 123.080 121.299 1.781 25700 6854 1 13 . 1 1 2 2 VAL HA H 2 4.678 4.678 4.229 0.449 25700 6855 1 13 . 1 1 2 2 VAL C C 2 171.871 171.871 175.156 -3.285 25700 6856 1 13 . 1 1 2 2 VAL CA C 2 59.500 59.500 60.717 -1.217 25700 6857 1 13 . 1 1 2 2 VAL CB C 2 34.185 34.185 32.430 1.755 25700 6858 1 13 . 1 1 2 2 VAL H H 2 8.041 8.041 8.598 -0.557 25700 6859 1 13 . 1 1 3 3 GLN N N 3 123.080 123.080 120.958 2.122 25700 6860 1 13 . 1 1 3 3 GLN HA H 3 4.660 4.660 4.736 -0.076 25700 6861 1 13 . 1 1 3 3 GLN CA C 3 54.109 54.109 53.548 0.561 25700 6862 1 13 . 1 1 3 3 GLN CB C 3 33.338 33.338 33.201 0.137 25700 6863 1 13 . 1 1 3 3 GLN H H 3 8.126 8.126 8.951 -0.825 25700 6864 1 13 . 1 1 4 4 CYS N N 4 115.260 115.260 116.111 -0.851 25700 6865 1 13 . 1 1 4 4 CYS HA H 4 5.676 5.676 5.022 0.654 25700 6866 1 13 . 1 1 4 4 CYS C C 4 171.720 171.720 173.453 -1.733 25700 6867 1 13 . 1 1 4 4 CYS CA C 4 53.402 53.402 57.262 -3.860 25700 6868 1 13 . 1 1 4 4 CYS CB C 4 45.525 45.525 30.745 14.780 25700 6869 1 13 . 1 1 4 4 CYS H H 4 8.909 8.909 8.492 0.417 25700 6870 1 13 . 1 1 5 5 GLU N N 5 117.764 117.764 120.393 -2.629 25700 6871 1 13 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.755 -0.276 25700 6872 1 13 . 1 1 5 5 GLU C C 5 174.088 174.088 174.169 -0.081 25700 6873 1 13 . 1 1 5 5 GLU CA C 5 54.838 54.838 54.766 0.073 25700 6874 1 13 . 1 1 5 5 GLU CB C 5 34.155 34.155 34.098 0.057 25700 6875 1 13 . 1 1 5 5 GLU H H 5 8.580 8.580 8.569 0.011 25700 6876 1 13 . 1 1 6 6 VAL N N 6 120.471 120.471 115.591 4.880 25700 6877 1 13 . 1 1 6 6 VAL HA H 6 4.427 4.427 4.257 0.170 25700 6878 1 13 . 1 1 6 6 VAL C C 6 174.211 174.211 174.087 0.124 25700 6879 1 13 . 1 1 6 6 VAL CA C 6 61.540 61.540 61.023 0.517 25700 6880 1 13 . 1 1 6 6 VAL CB C 6 32.618 32.618 33.119 -0.501 25700 6881 1 13 . 1 1 6 6 VAL H H 6 8.588 8.588 8.160 0.428 25700 6882 1 13 . 1 1 7 7 GLU N N 7 125.816 125.816 126.099 -0.283 25700 6883 1 13 . 1 1 7 7 GLU HA H 7 4.548 4.548 4.688 -0.140 25700 6884 1 13 . 1 1 7 7 GLU C C 7 174.194 174.194 174.785 -0.591 25700 6885 1 13 . 1 1 7 7 GLU CA C 7 54.524 54.524 53.863 0.661 25700 6886 1 13 . 1 1 7 7 GLU CB C 7 33.291 33.291 33.398 -0.106 25700 6887 1 13 . 1 1 7 7 GLU H H 7 8.820 8.820 8.903 -0.083 25700 6888 1 13 . 1 1 8 8 ALA N N 8 122.882 122.882 122.887 -0.005 25700 6889 1 13 . 1 1 8 8 ALA HA H 8 5.238 5.238 4.782 0.456 25700 6890 1 13 . 1 1 8 8 ALA C C 8 175.557 175.557 175.291 0.266 25700 6891 1 13 . 1 1 8 8 ALA CA C 8 49.950 49.950 51.036 -1.086 25700 6892 1 13 . 1 1 8 8 ALA CB C 8 22.730 22.730 21.593 1.137 25700 6893 1 13 . 1 1 8 8 ALA H H 8 8.410 8.410 8.382 0.028 25700 6894 1 13 . 1 1 9 9 ALA N N 9 124.110 124.110 127.458 -3.348 25700 6895 1 13 . 1 1 9 9 ALA HA H 9 4.691 4.691 4.780 -0.089 25700 6896 1 13 . 1 1 9 9 ALA C C 9 176.300 176.300 175.716 0.584 25700 6897 1 13 . 1 1 9 9 ALA CA C 9 50.825 50.825 50.578 0.247 25700 6898 1 13 . 1 1 9 9 ALA CB C 9 21.240 21.240 20.603 0.637 25700 6899 1 13 . 1 1 9 9 ALA H H 9 8.407 8.407 9.084 -0.677 25700 6900 1 13 . 1 1 10 10 VAL N N 10 126.780 126.780 125.478 1.302 25700 6901 1 13 . 1 1 10 10 VAL HA H 10 4.379 4.379 4.337 0.042 25700 6902 1 13 . 1 1 10 10 VAL C C 10 175.717 175.717 175.481 0.236 25700 6903 1 13 . 1 1 10 10 VAL CA C 10 61.580 61.580 62.198 -0.618 25700 6904 1 13 . 1 1 10 10 VAL CB C 10 32.209 32.209 30.662 1.547 25700 6905 1 13 . 1 1 10 10 VAL H H 10 8.860 8.860 8.389 0.471 25700 6906 1 13 . 1 1 11 11 SER N N 11 120.868 120.868 122.809 -1.941 25700 6907 1 13 . 1 1 11 11 SER HA H 11 4.448 4.448 4.637 -0.189 25700 6908 1 13 . 1 1 11 11 SER C C 11 175.498 175.498 174.415 1.083 25700 6909 1 13 . 1 1 11 11 SER CA C 11 57.590 57.590 57.152 0.438 25700 6910 1 13 . 1 1 11 11 SER CB C 11 64.000 64.000 64.591 -0.591 25700 6911 1 13 . 1 1 11 11 SER H H 11 8.478 8.478 8.821 -0.343 25700 6912 1 13 . 1 1 12 12 GLY N N 12 116.896 116.896 116.763 0.133 25700 6913 1 13 . 1 1 12 12 GLY C C 12 174.994 174.994 174.822 0.172 25700 6914 1 13 . 1 1 12 12 GLY CA C 12 47.515 47.515 45.172 2.343 25700 6915 1 13 . 1 1 12 12 GLY H H 12 9.120 9.120 8.888 0.232 25700 6916 1 13 . 1 1 13 13 GLY N N 13 108.984 108.984 104.788 4.196 25700 6917 1 13 . 1 1 13 13 GLY C C 13 174.440 174.440 173.793 0.647 25700 6918 1 13 . 1 1 13 13 GLY CA C 13 45.383 45.383 44.977 0.406 25700 6919 1 13 . 1 1 13 13 GLY H H 13 8.816 8.816 8.450 0.366 25700 6920 1 13 . 1 1 14 14 HIS N N 14 118.737 118.737 118.939 -0.202 25700 6921 1 13 . 1 1 14 14 HIS HA H 14 5.458 5.458 5.143 0.315 25700 6922 1 13 . 1 1 14 14 HIS C C 14 172.243 172.243 173.236 -0.993 25700 6923 1 13 . 1 1 14 14 HIS CA C 14 54.905 54.905 55.032 -0.128 25700 6924 1 13 . 1 1 14 14 HIS CB C 14 32.311 32.311 33.585 -1.274 25700 6925 1 13 . 1 1 14 14 HIS H H 14 8.084 8.084 7.717 0.367 25700 6926 1 13 . 1 1 15 15 VAL N N 15 120.204 120.204 120.429 -0.225 25700 6927 1 13 . 1 1 15 15 VAL HA H 15 4.932 4.932 4.675 0.257 25700 6928 1 13 . 1 1 15 15 VAL C C 15 172.314 172.314 174.108 -1.794 25700 6929 1 13 . 1 1 15 15 VAL CA C 15 58.540 58.540 60.762 -2.222 25700 6930 1 13 . 1 1 15 15 VAL CB C 15 34.285 34.285 35.088 -0.803 25700 6931 1 13 . 1 1 15 15 VAL H H 15 9.369 9.369 9.285 0.084 25700 6932 1 13 . 1 1 16 16 THR N N 16 123.685 123.685 126.712 -3.027 25700 6933 1 13 . 1 1 16 16 THR HA H 16 5.220 5.220 4.775 0.445 25700 6934 1 13 . 1 1 16 16 THR C C 16 174.478 174.478 172.863 1.615 25700 6935 1 13 . 1 1 16 16 THR CA C 16 61.481 61.481 62.618 -1.137 25700 6936 1 13 . 1 1 16 16 THR CB C 16 70.017 70.017 69.306 0.711 25700 6937 1 13 . 1 1 16 16 THR H H 16 8.604 8.604 9.170 -0.566 25700 6938 1 13 . 1 1 17 17 LEU N N 17 128.958 128.958 129.547 -0.589 25700 6939 1 13 . 1 1 17 17 LEU HA H 17 5.407 5.407 4.568 0.839 25700 6940 1 13 . 1 1 17 17 LEU C C 17 174.481 174.481 174.066 0.415 25700 6941 1 13 . 1 1 17 17 LEU CA C 17 53.999 53.999 53.853 0.146 25700 6942 1 13 . 1 1 17 17 LEU CB C 17 44.108 44.108 44.920 -0.812 25700 6943 1 13 . 1 1 17 17 LEU H H 17 9.627 9.627 9.245 0.382 25700 6944 1 13 . 1 1 18 18 GLN N N 18 115.227 115.227 121.477 -6.250 25700 6945 1 13 . 1 1 18 18 GLN HA H 18 4.465 4.465 5.345 -0.880 25700 6946 1 13 . 1 1 18 18 GLN C C 18 174.042 174.042 174.766 -0.724 25700 6947 1 13 . 1 1 18 18 GLN CA C 18 53.725 53.725 53.726 -0.001 25700 6948 1 13 . 1 1 18 18 GLN CB C 18 31.767 31.767 32.037 -0.270 25700 6949 1 13 . 1 1 18 18 GLN H H 18 8.243 8.243 8.336 -0.093 25700 6950 1 13 . 1 1 19 19 GLY N N 19 107.795 107.795 107.671 0.124 25700 6951 1 13 . 1 1 19 19 GLY C C 19 172.005 172.005 172.654 -0.649 25700 6952 1 13 . 1 1 19 19 GLY CA C 19 44.485 44.485 43.993 0.492 25700 6953 1 13 . 1 1 19 19 GLY H H 19 9.100 9.100 8.912 0.188 25700 6954 1 13 . 1 1 20 20 VAL N N 20 120.951 120.951 127.420 -6.469 25700 6955 1 13 . 1 1 20 20 VAL HA H 20 4.634 4.634 4.181 0.453 25700 6956 1 13 . 1 1 20 20 VAL C C 20 175.670 175.670 174.948 0.722 25700 6957 1 13 . 1 1 20 20 VAL CA C 20 61.380 61.380 62.310 -0.930 25700 6958 1 13 . 1 1 20 20 VAL CB C 20 33.990 33.990 32.023 1.967 25700 6959 1 13 . 1 1 20 20 VAL H H 20 8.859 8.859 9.419 -0.560 25700 6960 1 13 . 1 1 21 21 ILE N N 21 129.511 129.511 130.506 -0.995 25700 6961 1 13 . 1 1 21 21 ILE HA H 21 4.443 4.443 4.439 0.004 25700 6962 1 13 . 1 1 21 21 ILE C C 21 174.567 174.567 175.693 -1.126 25700 6963 1 13 . 1 1 21 21 ILE CA C 21 59.883 59.883 60.414 -0.531 25700 6964 1 13 . 1 1 21 21 ILE CB C 21 41.152 41.152 38.698 2.454 25700 6965 1 13 . 1 1 21 21 ILE H H 21 9.304 9.304 9.244 0.060 25700 6966 1 13 . 1 1 22 22 THR N N 22 120.311 120.311 125.599 -5.288 25700 6967 1 13 . 1 1 22 22 THR HA H 22 4.479 4.479 4.874 -0.395 25700 6968 1 13 . 1 1 22 22 THR C C 22 172.996 172.996 173.422 -0.426 25700 6969 1 13 . 1 1 22 22 THR CA C 22 61.647 61.647 62.667 -1.020 25700 6970 1 13 . 1 1 22 22 THR CB C 22 70.230 70.230 69.539 0.691 25700 6971 1 13 . 1 1 22 22 THR H H 22 8.063 8.063 8.551 -0.488 25700 6972 1 13 . 1 1 23 23 ALA N N 23 104.959 104.959 129.276 -24.317 25700 6973 1 13 . 1 1 23 23 ALA HA H 23 5.056 5.056 4.846 0.210 25700 6974 1 13 . 1 1 23 23 ALA C C 23 177.722 177.722 177.118 0.604 25700 6975 1 13 . 1 1 23 23 ALA CA C 23 49.963 49.963 50.137 -0.174 25700 6976 1 13 . 1 1 23 23 ALA CB C 23 22.915 22.915 21.177 1.738 25700 6977 1 13 . 1 1 23 23 ALA H H 23 9.764 9.764 8.669 1.095 25700 6978 1 13 . 1 1 24 24 VAL N N 24 113.370 113.370 122.370 -9.000 25700 6979 1 13 . 1 1 24 24 VAL HA H 24 4.083 4.083 3.954 0.129 25700 6980 1 13 . 1 1 24 24 VAL C C 24 174.539 174.539 175.127 -0.588 25700 6981 1 13 . 1 1 24 24 VAL CA C 24 62.339 62.339 64.039 -1.700 25700 6982 1 13 . 1 1 24 24 VAL CB C 24 31.933 31.933 31.851 0.083 25700 6983 1 13 . 1 1 24 24 VAL H H 24 8.239 8.239 8.256 -0.017 25700 6984 1 13 . 1 1 25 25 ARG N N 25 116.002 116.002 118.042 -2.040 25700 6985 1 13 . 1 1 25 25 ARG HA H 25 4.740 4.740 4.596 0.144 25700 6986 1 13 . 1 1 25 25 ARG C C 25 172.797 172.797 174.732 -1.935 25700 6987 1 13 . 1 1 25 25 ARG CA C 25 53.284 53.284 53.908 -0.624 25700 6988 1 13 . 1 1 25 25 ARG CB C 25 33.542 33.542 32.963 0.579 25700 6989 1 13 . 1 1 25 25 ARG H H 25 7.308 7.308 7.805 -0.497 25700 6990 1 13 . 1 1 26 26 ASP N N 26 118.075 118.075 122.188 -4.113 25700 6991 1 13 . 1 1 26 26 ASP HA H 26 4.665 4.665 5.187 -0.522 25700 6992 1 13 . 1 1 26 26 ASP C C 26 177.721 177.721 176.632 1.089 25700 6993 1 13 . 1 1 26 26 ASP CA C 26 53.911 53.911 53.816 0.095 25700 6994 1 13 . 1 1 26 26 ASP CB C 26 41.143 41.143 41.480 -0.337 25700 6995 1 13 . 1 1 26 26 ASP H H 26 8.301 8.301 8.272 0.029 25700 6996 1 13 . 1 1 27 27 GLY N N 27 106.966 106.966 109.469 -2.503 25700 6997 1 13 . 1 1 27 27 GLY C C 27 170.472 170.472 172.248 -1.776 25700 6998 1 13 . 1 1 27 27 GLY CA C 27 46.213 46.213 44.838 1.375 25700 6999 1 13 . 1 1 27 27 GLY H H 27 8.276 8.276 8.339 -0.063 25700 7000 1 13 . 1 1 28 28 ALA N N 28 122.805 122.805 123.575 -0.770 25700 7001 1 13 . 1 1 28 28 ALA HA H 28 4.898 4.898 5.060 -0.162 25700 7002 1 13 . 1 1 28 28 ALA C C 28 176.720 176.720 175.434 1.286 25700 7003 1 13 . 1 1 28 28 ALA CA C 28 50.756 50.756 50.627 0.129 25700 7004 1 13 . 1 1 28 28 ALA CB C 28 21.482 21.482 21.923 -0.441 25700 7005 1 13 . 1 1 28 28 ALA H H 28 8.065 8.065 8.154 -0.089 25700 7006 1 13 . 1 1 29 29 GLY N N 29 106.538 106.538 105.309 1.229 25700 7007 1 13 . 1 1 29 29 GLY C C 29 172.866 172.866 170.647 2.219 25700 7008 1 13 . 1 1 29 29 GLY CA C 29 45.538 45.538 44.027 1.511 25700 7009 1 13 . 1 1 29 29 GLY H H 29 7.654 7.654 8.628 -0.974 25700 7010 1 13 . 1 1 30 30 SER N N 30 116.216 116.216 113.802 2.414 25700 7011 1 13 . 1 1 30 30 SER HA H 30 5.564 5.564 4.752 0.812 25700 7012 1 13 . 1 1 30 30 SER C C 30 172.216 172.216 172.727 -0.511 25700 7013 1 13 . 1 1 30 30 SER CA C 30 57.505 57.505 56.398 1.107 25700 7014 1 13 . 1 1 30 30 SER CB C 30 66.321 66.321 65.573 0.748 25700 7015 1 13 . 1 1 30 30 SER H H 30 9.185 9.185 7.798 1.387 25700 7016 1 13 . 1 1 31 31 TYR N N 31 118.467 118.467 117.138 1.329 25700 7017 1 13 . 1 1 31 31 TYR HA H 31 6.035 6.035 5.138 0.897 25700 7018 1 13 . 1 1 31 31 TYR C C 31 174.138 174.138 173.854 0.284 25700 7019 1 13 . 1 1 31 31 TYR CA C 31 55.806 55.806 56.395 -0.589 25700 7020 1 13 . 1 1 31 31 TYR CB C 31 43.091 43.091 41.543 1.548 25700 7021 1 13 . 1 1 31 31 TYR H H 31 9.215 9.215 8.821 0.394 25700 7022 1 13 . 1 1 32 32 LYS N N 32 121.086 121.086 120.121 0.965 25700 7023 1 13 . 1 1 32 32 LYS HA H 32 4.772 4.772 4.838 -0.066 25700 7024 1 13 . 1 1 32 32 LYS C C 32 173.750 173.750 174.082 -0.332 25700 7025 1 13 . 1 1 32 32 LYS CA C 32 56.495 56.495 55.003 1.492 25700 7026 1 13 . 1 1 32 32 LYS CB C 32 35.800 35.800 34.494 1.306 25700 7027 1 13 . 1 1 32 32 LYS H H 32 8.904 8.904 9.264 -0.359 25700 7028 1 13 . 1 1 33 33 LEU N N 33 128.296 128.296 127.630 0.666 25700 7029 1 13 . 1 1 33 33 LEU HA H 33 5.329 5.329 5.018 0.311 25700 7030 1 13 . 1 1 33 33 LEU C C 33 173.389 173.389 174.875 -1.486 25700 7031 1 13 . 1 1 33 33 LEU CA C 33 53.547 53.547 53.581 -0.034 25700 7032 1 13 . 1 1 33 33 LEU CB C 33 45.460 45.460 43.918 1.542 25700 7033 1 13 . 1 1 33 33 LEU H H 33 9.663 9.663 9.062 0.601 25700 7034 1 13 . 1 1 34 34 ALA N N 34 129.791 129.791 130.421 -0.630 25700 7035 1 13 . 1 1 34 34 ALA HA H 34 5.419 5.419 4.795 0.624 25700 7036 1 13 . 1 1 34 34 ALA C C 34 176.313 176.313 174.972 1.341 25700 7037 1 13 . 1 1 34 34 ALA CA C 34 50.605 50.605 50.519 0.086 25700 7038 1 13 . 1 1 34 34 ALA CB C 34 21.237 21.237 22.516 -1.279 25700 7039 1 13 . 1 1 34 34 ALA H H 34 9.044 9.044 9.349 -0.305 25700 7040 1 13 . 1 1 35 35 VAL N N 35 124.532 124.532 123.721 0.811 25700 7041 1 13 . 1 1 35 35 VAL HA H 35 4.844 4.844 4.399 0.445 25700 7042 1 13 . 1 1 35 35 VAL C C 35 173.511 173.511 174.362 -0.851 25700 7043 1 13 . 1 1 35 35 VAL CA C 35 61.113 61.113 61.768 -0.655 25700 7044 1 13 . 1 1 35 35 VAL CB C 35 35.152 35.152 34.594 0.558 25700 7045 1 13 . 1 1 35 35 VAL H H 35 9.332 9.332 8.196 1.136 25700 7046 1 13 . 1 1 36 36 ASP N N 36 127.077 127.077 126.296 0.781 25700 7047 1 13 . 1 1 36 36 ASP HA H 36 5.560 5.560 5.326 0.234 25700 7048 1 13 . 1 1 36 36 ASP C C 36 174.146 174.146 175.002 -0.856 25700 7049 1 13 . 1 1 36 36 ASP CA C 36 53.219 53.219 52.683 0.536 25700 7050 1 13 . 1 1 36 36 ASP CB C 36 44.387 44.387 43.427 0.960 25700 7051 1 13 . 1 1 36 36 ASP H H 36 9.169 9.169 9.277 -0.108 25700 7052 1 13 . 1 1 37 37 LYS N N 37 122.568 122.568 125.452 -2.884 25700 7053 1 13 . 1 1 37 37 LYS HA H 37 4.673 4.673 5.450 -0.777 25700 7054 1 13 . 1 1 37 37 LYS C C 37 173.710 173.710 175.123 -1.413 25700 7055 1 13 . 1 1 37 37 LYS CA C 37 54.410 54.410 54.636 -0.226 25700 7056 1 13 . 1 1 37 37 LYS CB C 37 34.907 34.907 36.170 -1.263 25700 7057 1 13 . 1 1 37 37 LYS H H 37 8.665 8.665 9.162 -0.497 25700 7058 1 13 . 1 1 38 38 ALA N N 38 130.221 130.221 125.159 5.062 25700 7059 1 13 . 1 1 38 38 ALA HA H 38 4.983 4.983 5.077 -0.094 25700 7060 1 13 . 1 1 38 38 ALA C C 38 176.141 176.141 175.368 0.773 25700 7061 1 13 . 1 1 38 38 ALA CA C 38 51.093 51.093 51.523 -0.430 25700 7062 1 13 . 1 1 38 38 ALA CB C 38 21.778 21.778 21.477 0.301 25700 7063 1 13 . 1 1 38 38 ALA H H 38 8.798 8.798 9.024 -0.226 25700 7064 1 13 . 1 1 39 39 GLY N N 39 109.328 109.328 109.667 -0.339 25700 7065 1 13 . 1 1 39 39 GLY C C 39 174.208 174.208 174.747 -0.539 25700 7066 1 13 . 1 1 39 39 GLY CA C 39 44.645 44.645 44.126 0.519 25700 7067 1 13 . 1 1 39 39 GLY H H 39 7.851 7.851 8.544 -0.693 25700 7068 1 13 . 1 1 40 40 ALA N N 40 125.088 125.088 121.764 3.324 25700 7069 1 13 . 1 1 40 40 ALA HA H 40 4.051 4.051 4.259 -0.208 25700 7070 1 13 . 1 1 40 40 ALA C C 40 178.917 178.917 178.816 0.101 25700 7071 1 13 . 1 1 40 40 ALA CA C 40 54.841 54.841 54.011 0.830 25700 7072 1 13 . 1 1 40 40 ALA CB C 40 18.293 18.293 18.667 -0.374 25700 7073 1 13 . 1 1 40 40 ALA H H 40 8.766 8.766 8.386 0.380 25700 7074 1 13 . 1 1 41 41 ALA N N 41 117.569 117.569 120.316 -2.747 25700 7075 1 13 . 1 1 41 41 ALA HA H 41 4.419 4.419 4.476 -0.057 25700 7076 1 13 . 1 1 41 41 ALA C C 41 177.136 177.136 177.841 -0.705 25700 7077 1 13 . 1 1 41 41 ALA CA C 41 51.929 51.929 51.602 0.327 25700 7078 1 13 . 1 1 41 41 ALA CB C 41 18.774 18.774 19.226 -0.452 25700 7079 1 13 . 1 1 41 41 ALA H H 41 8.300 8.300 8.097 0.203 25700 7080 1 13 . 1 1 42 42 GLY N N 42 106.796 106.796 106.503 0.293 25700 7081 1 13 . 1 1 42 42 GLY C C 42 173.379 173.379 172.151 1.228 25700 7082 1 13 . 1 1 42 42 GLY CA C 42 44.336 44.336 44.373 -0.037 25700 7083 1 13 . 1 1 42 42 GLY H H 42 7.577 7.577 7.367 0.210 25700 7084 1 13 . 1 1 43 43 THR N N 43 116.541 116.541 112.659 3.882 25700 7085 1 13 . 1 1 43 43 THR HA H 43 5.263 5.263 5.134 0.129 25700 7086 1 13 . 1 1 43 43 THR C C 43 174.244 174.244 174.204 0.040 25700 7087 1 13 . 1 1 43 43 THR CA C 43 61.137 61.137 60.679 0.458 25700 7088 1 13 . 1 1 43 43 THR CB C 43 70.759 70.759 70.516 0.243 25700 7089 1 13 . 1 1 43 43 THR H H 43 8.526 8.526 8.220 0.306 25700 7090 1 13 . 1 1 44 44 SER N N 44 120.903 120.903 120.597 0.306 25700 7091 1 13 . 1 1 44 44 SER HA H 44 4.759 4.759 4.732 0.027 25700 7092 1 13 . 1 1 44 44 SER C C 44 172.241 172.241 173.216 -0.975 25700 7093 1 13 . 1 1 44 44 SER CA C 44 57.340 57.340 57.679 -0.340 25700 7094 1 13 . 1 1 44 44 SER CB C 44 65.568 65.568 65.964 -0.396 25700 7095 1 13 . 1 1 44 44 SER H H 44 8.904 8.904 9.077 -0.173 25700 7096 1 13 . 1 1 45 45 ARG N N 45 124.546 124.546 124.417 0.129 25700 7097 1 13 . 1 1 45 45 ARG HA H 45 5.489 5.489 4.912 0.577 25700 7098 1 13 . 1 1 45 45 ARG C C 45 175.520 175.520 175.697 -0.177 25700 7099 1 13 . 1 1 45 45 ARG CA C 45 55.101 55.101 54.808 0.293 25700 7100 1 13 . 1 1 45 45 ARG CB C 45 32.760 32.760 31.414 1.346 25700 7101 1 13 . 1 1 45 45 ARG H H 45 8.579 8.579 8.608 -0.029 25700 7102 1 13 . 1 1 46 46 ILE N N 46 127.920 127.920 126.551 1.369 25700 7103 1 13 . 1 1 46 46 ILE HA H 46 4.460 4.460 4.254 0.206 25700 7104 1 13 . 1 1 46 46 ILE C C 46 174.450 174.450 174.899 -0.449 25700 7105 1 13 . 1 1 46 46 ILE CA C 46 60.220 60.220 59.971 0.249 25700 7106 1 13 . 1 1 46 46 ILE CB C 46 41.290 41.290 40.076 1.214 25700 7107 1 13 . 1 1 46 46 ILE H H 46 9.344 9.344 9.210 0.134 25700 7108 1 13 . 1 1 47 47 LYS N N 47 126.061 126.061 127.538 -1.477 25700 7109 1 13 . 1 1 47 47 LYS HA H 47 5.514 5.514 4.545 0.969 25700 7110 1 13 . 1 1 47 47 LYS C C 47 175.790 175.790 174.798 0.992 25700 7111 1 13 . 1 1 47 47 LYS CA C 47 54.870 54.870 55.606 -0.736 25700 7112 1 13 . 1 1 47 47 LYS CB C 47 35.386 35.386 34.225 1.161 25700 7113 1 13 . 1 1 47 47 LYS H H 47 8.734 8.734 8.459 0.275 25700 7114 1 13 . 1 1 48 48 GLN N N 48 122.633 122.633 123.938 -1.305 25700 7115 1 13 . 1 1 48 48 GLN HA H 48 4.669 4.669 4.825 -0.156 25700 7116 1 13 . 1 1 48 48 GLN C C 48 173.659 173.659 173.591 0.068 25700 7117 1 13 . 1 1 48 48 GLN CA C 48 54.895 54.895 54.361 0.534 25700 7118 1 13 . 1 1 48 48 GLN CB C 48 33.072 33.072 32.080 0.992 25700 7119 1 13 . 1 1 48 48 GLN H H 48 9.228 9.228 8.719 0.509 25700 7120 1 13 . 1 1 49 49 ALA N N 49 125.634 125.634 121.383 4.251 25700 7121 1 13 . 1 1 49 49 ALA HA H 49 4.544 4.544 4.892 -0.348 25700 7122 1 13 . 1 1 49 49 ALA C C 49 175.881 175.881 175.479 0.402 25700 7123 1 13 . 1 1 49 49 ALA CA C 49 50.993 50.993 51.781 -0.788 25700 7124 1 13 . 1 1 49 49 ALA CB C 49 22.620 22.620 21.362 1.258 25700 7125 1 13 . 1 1 49 49 ALA H H 49 8.557 8.557 8.412 0.145 25700 7126 1 13 . 1 1 50 50 GLY N N 50 105.483 105.483 107.371 -1.888 25700 7127 1 13 . 1 1 50 50 GLY C C 50 170.217 170.217 171.392 -1.175 25700 7128 1 13 . 1 1 50 50 GLY CA C 50 45.670 45.670 46.127 -0.457 25700 7129 1 13 . 1 1 50 50 GLY H H 50 6.865 6.865 8.354 -1.488 25700 7130 1 13 . 1 1 51 51 ALA N N 51 122.908 122.908 122.066 0.842 25700 7131 1 13 . 1 1 51 51 ALA HA H 51 5.265 5.265 4.942 0.323 25700 7132 1 13 . 1 1 51 51 ALA C C 51 176.793 176.793 175.278 1.515 25700 7133 1 13 . 1 1 51 51 ALA CA C 51 50.736 50.736 50.705 0.031 25700 7134 1 13 . 1 1 51 51 ALA CB C 51 21.840 21.840 21.375 0.465 25700 7135 1 13 . 1 1 51 51 ALA H H 51 8.522 8.522 8.137 0.385 25700 7136 1 13 . 1 1 52 52 PHE N N 52 115.156 115.156 122.859 -7.703 25700 7137 1 13 . 1 1 52 52 PHE HA H 52 5.106 5.106 4.983 0.123 25700 7138 1 13 . 1 1 52 52 PHE C C 52 172.832 172.832 173.803 -0.971 25700 7139 1 13 . 1 1 52 52 PHE CA C 52 56.890 56.890 56.585 0.305 25700 7140 1 13 . 1 1 52 52 PHE CB C 52 42.428 42.428 43.238 -0.810 25700 7141 1 13 . 1 1 52 52 PHE H H 52 8.191 8.191 8.865 -0.674 25700 7142 1 13 . 1 1 53 53 THR N N 53 116.180 116.180 114.345 1.835 25700 7143 1 13 . 1 1 53 53 THR HA H 53 4.631 4.631 4.521 0.110 25700 7144 1 13 . 1 1 53 53 THR C C 53 172.769 172.769 172.941 -0.172 25700 7145 1 13 . 1 1 53 53 THR CA C 53 61.610 61.610 60.833 0.777 25700 7146 1 13 . 1 1 53 53 THR CB C 53 70.736 70.736 68.808 1.928 25700 7147 1 13 . 1 1 53 53 THR H H 53 8.650 8.650 6.741 1.909 25700 7148 1 13 . 1 1 54 54 ALA N N 54 127.969 127.969 128.810 -0.841 25700 7149 1 13 . 1 1 54 54 ALA HA H 54 4.748 4.748 4.730 0.018 25700 7150 1 13 . 1 1 54 54 ALA C C 54 176.369 176.369 175.555 0.814 25700 7151 1 13 . 1 1 54 54 ALA CA C 54 51.397 51.397 50.355 1.042 25700 7152 1 13 . 1 1 54 54 ALA CB C 54 22.010 22.010 22.038 -0.028 25700 7153 1 13 . 1 1 54 54 ALA H H 54 9.353 9.353 8.583 0.770 25700 7154 1 13 . 1 1 55 55 ILE N N 55 123.326 123.326 122.175 1.151 25700 7155 1 13 . 1 1 55 55 ILE HA H 55 4.391 4.391 4.157 0.234 25700 7156 1 13 . 1 1 55 55 ILE C C 55 176.079 176.079 175.656 0.423 25700 7157 1 13 . 1 1 55 55 ILE CA C 55 59.138 59.138 60.414 -1.276 25700 7158 1 13 . 1 1 55 55 ILE CB C 55 39.451 39.451 39.864 -0.413 25700 7159 1 13 . 1 1 55 55 ILE H H 55 7.856 7.856 8.695 -0.839 25700 7160 1 13 . 1 1 56 56 ALA N N 56 130.280 130.280 128.146 2.134 25700 7161 1 13 . 1 1 56 56 ALA HA H 56 3.493 3.493 4.359 -0.866 25700 7162 1 13 . 1 1 56 56 ALA C C 56 177.405 177.405 177.605 -0.200 25700 7163 1 13 . 1 1 56 56 ALA CA C 56 54.156 54.156 52.208 1.948 25700 7164 1 13 . 1 1 56 56 ALA CB C 56 18.871 18.871 18.856 0.015 25700 7165 1 13 . 1 1 56 56 ALA H H 56 9.104 9.104 8.396 0.708 25700 7166 1 13 . 1 1 57 57 GLU N N 57 113.081 113.081 119.419 -6.338 25700 7167 1 13 . 1 1 57 57 GLU HA H 57 3.614 3.614 3.784 -0.170 25700 7168 1 13 . 1 1 57 57 GLU C C 57 174.959 174.959 175.043 -0.084 25700 7169 1 13 . 1 1 57 57 GLU CA C 57 58.080 58.080 57.398 0.683 25700 7170 1 13 . 1 1 57 57 GLU CB C 57 27.141 27.141 28.290 -1.149 25700 7171 1 13 . 1 1 57 57 GLU H H 57 9.007 9.007 8.859 0.148 25700 7172 1 13 . 1 1 58 58 GLN N N 58 119.796 119.796 117.775 2.021 25700 7173 1 13 . 1 1 58 58 GLN HA H 58 4.519 4.519 4.629 -0.110 25700 7174 1 13 . 1 1 58 58 GLN C C 58 175.217 175.217 174.578 0.639 25700 7175 1 13 . 1 1 58 58 GLN CA C 58 54.379 54.379 53.739 0.640 25700 7176 1 13 . 1 1 58 58 GLN CB C 58 30.102 30.102 31.852 -1.750 25700 7177 1 13 . 1 1 58 58 GLN H H 58 8.061 8.061 7.696 0.365 25700 7178 1 13 . 1 1 59 59 ARG N N 59 124.810 124.810 123.719 1.091 25700 7179 1 13 . 1 1 59 59 ARG HA H 59 4.286 4.286 4.434 -0.148 25700 7180 1 13 . 1 1 59 59 ARG C C 59 176.396 176.396 175.761 0.635 25700 7181 1 13 . 1 1 59 59 ARG CA C 59 56.810 56.810 55.559 1.251 25700 7182 1 13 . 1 1 59 59 ARG CB C 59 30.906 30.906 30.555 0.351 25700 7183 1 13 . 1 1 59 59 ARG H H 59 8.486 8.486 8.571 -0.085 25700 7184 1 13 . 1 1 60 60 VAL N N 60 127.238 127.238 128.859 -1.621 25700 7185 1 13 . 1 1 60 60 VAL HA H 60 4.319 4.319 4.368 -0.049 25700 7186 1 13 . 1 1 60 60 VAL C C 60 174.543 174.543 174.949 -0.406 25700 7187 1 13 . 1 1 60 60 VAL CA C 60 61.227 61.227 60.888 0.339 25700 7188 1 13 . 1 1 60 60 VAL CB C 60 34.177 34.177 33.672 0.505 25700 7189 1 13 . 1 1 60 60 VAL H H 60 9.033 9.033 9.090 -0.057 25700 7190 1 13 . 1 1 61 61 THR N N 61 120.913 120.913 124.137 -3.224 25700 7191 1 13 . 1 1 61 61 THR HA H 61 5.096 5.096 4.566 0.530 25700 7192 1 13 . 1 1 61 61 THR C C 61 174.645 174.645 173.769 0.876 25700 7193 1 13 . 1 1 61 61 THR CA C 61 60.686 60.686 62.830 -2.144 25700 7194 1 13 . 1 1 61 61 THR CB C 61 69.710 69.710 69.322 0.388 25700 7195 1 13 . 1 1 61 61 THR H H 61 8.340 8.340 8.687 -0.347 25700 7196 1 13 . 1 1 62 62 VAL N N 62 117.650 117.650 126.012 -8.362 25700 7197 1 13 . 1 1 62 62 VAL HA H 62 4.294 4.294 4.093 0.201 25700 7198 1 13 . 1 1 62 62 VAL C C 62 174.530 174.530 175.421 -0.891 25700 7199 1 13 . 1 1 62 62 VAL CA C 62 58.641 58.641 60.823 -2.182 25700 7200 1 13 . 1 1 62 62 VAL CB C 62 34.263 34.263 34.860 -0.597 25700 7201 1 13 . 1 1 62 62 VAL H H 62 8.658 8.658 8.863 -0.205 25700 7202 1 13 . 1 1 63 63 GLY N N 63 107.924 107.924 114.386 -6.462 25700 7203 1 13 . 1 1 63 63 GLY C C 63 172.475 172.475 173.247 -0.772 25700 7204 1 13 . 1 1 63 63 GLY CA C 63 43.668 43.668 44.975 -1.307 25700 7205 1 13 . 1 1 63 63 GLY H H 63 7.857 7.857 8.716 -0.859 25700 7206 1 13 . 1 1 64 64 ASN N N 64 116.073 116.073 119.222 -3.149 25700 7207 1 13 . 1 1 64 64 ASN HA H 64 4.530 4.530 5.155 -0.625 25700 7208 1 13 . 1 1 64 64 ASN C C 64 173.307 173.307 174.974 -1.667 25700 7209 1 13 . 1 1 64 64 ASN CA C 64 55.380 55.380 51.496 3.884 25700 7210 1 13 . 1 1 64 64 ASN CB C 64 39.159 39.159 38.560 0.598 25700 7211 1 13 . 1 1 64 64 ASN H H 64 8.933 8.933 7.947 0.986 25700 7212 1 13 . 1 1 65 65 VAL N N 65 126.612 126.612 119.337 7.275 25700 7213 1 13 . 1 1 65 65 VAL HA H 65 4.238 4.238 4.506 -0.268 25700 7214 1 13 . 1 1 65 65 VAL C C 65 173.538 173.538 174.226 -0.688 25700 7215 1 13 . 1 1 65 65 VAL CA C 65 61.970 61.970 59.890 2.080 25700 7216 1 13 . 1 1 65 65 VAL CB C 65 33.829 33.829 34.785 -0.957 25700 7217 1 13 . 1 1 65 65 VAL H H 65 8.548 8.548 8.858 -0.310 25700 7218 1 13 . 1 1 66 66 VAL N N 66 127.886 127.886 125.814 2.072 25700 7219 1 13 . 1 1 66 66 VAL HA H 66 4.990 4.990 4.523 0.467 25700 7220 1 13 . 1 1 66 66 VAL C C 66 175.271 175.271 175.854 -0.583 25700 7221 1 13 . 1 1 66 66 VAL CA C 66 61.360 61.360 61.712 -0.352 25700 7222 1 13 . 1 1 66 66 VAL CB C 66 32.923 32.923 32.303 0.620 25700 7223 1 13 . 1 1 66 66 VAL H H 66 8.364 8.364 8.302 0.062 25700 7224 1 13 . 1 1 67 67 LEU N N 67 126.454 126.454 126.674 -0.220 25700 7225 1 13 . 1 1 67 67 LEU HA H 67 4.955 4.955 4.640 0.315 25700 7226 1 13 . 1 1 67 67 LEU C C 67 176.547 176.547 176.012 0.535 25700 7227 1 13 . 1 1 67 67 LEU CA C 67 52.492 52.492 51.639 0.853 25700 7228 1 13 . 1 1 67 67 LEU CB C 67 46.685 46.685 43.648 3.037 25700 7229 1 13 . 1 1 67 67 LEU H H 67 9.050 9.050 9.086 -0.036 25700 7230 1 13 . 1 1 68 68 ASP N N 68 119.799 119.799 119.554 0.245 25700 7231 1 13 . 1 1 68 68 ASP HA H 68 4.609 4.609 4.748 -0.139 25700 7232 1 13 . 1 1 68 68 ASP C C 68 176.247 176.247 175.543 0.704 25700 7233 1 13 . 1 1 68 68 ASP CA C 68 55.492 55.492 53.649 1.843 25700 7234 1 13 . 1 1 68 68 ASP CB C 68 40.566 40.566 41.272 -0.706 25700 7235 1 13 . 1 1 68 68 ASP H H 68 8.722 8.722 8.767 -0.045 25700 7236 1 13 . 1 1 69 69 TYR N N 69 123.398 123.398 126.029 -2.631 25700 7237 1 13 . 1 1 69 69 TYR HA H 69 4.651 4.651 4.549 0.102 25700 7238 1 13 . 1 1 69 69 TYR C C 69 174.253 174.253 174.058 0.195 25700 7239 1 13 . 1 1 69 69 TYR CA C 69 57.767 57.767 59.160 -1.393 25700 7240 1 13 . 1 1 69 69 TYR CB C 69 40.067 40.067 38.756 1.311 25700 7241 1 13 . 1 1 69 69 TYR H H 69 8.603 8.603 8.108 0.495 25700 7242 1 13 . 1 1 70 70 SER N N 70 121.308 121.308 121.607 -0.299 25700 7243 1 13 . 1 1 70 70 SER HA H 70 4.059 4.059 4.210 -0.151 25700 7244 1 13 . 1 1 70 70 SER C C 70 174.851 174.851 174.263 0.588 25700 7245 1 13 . 1 1 70 70 SER CA C 70 56.341 56.341 56.500 -0.159 25700 7246 1 13 . 1 1 70 70 SER CB C 70 64.634 64.634 65.707 -1.073 25700 7247 1 13 . 1 1 70 70 SER H H 70 6.749 6.749 8.274 -1.525 25700 7248 1 13 . 1 1 71 71 SER N N 71 122.764 122.764 120.990 1.774 25700 7249 1 13 . 1 1 71 71 SER HA H 71 4.221 4.221 4.269 -0.048 25700 7250 1 13 . 1 1 71 71 SER C C 71 174.098 174.098 175.279 -1.181 25700 7251 1 13 . 1 1 71 71 SER CA C 71 60.326 60.326 60.687 -0.361 25700 7252 1 13 . 1 1 71 71 SER CB C 71 62.814 62.814 63.439 -0.625 25700 7253 1 13 . 1 1 71 71 SER H H 71 8.907 8.907 8.286 0.621 25700 7254 1 13 . 1 1 72 72 ALA N N 72 122.199 122.199 121.536 0.663 25700 7255 1 13 . 1 1 72 72 ALA HA H 72 4.320 4.320 4.399 -0.079 25700 7256 1 13 . 1 1 72 72 ALA C C 72 177.749 177.749 176.963 0.786 25700 7257 1 13 . 1 1 72 72 ALA CA C 72 52.283 52.283 51.524 0.759 25700 7258 1 13 . 1 1 72 72 ALA CB C 72 18.950 18.950 18.531 0.419 25700 7259 1 13 . 1 1 72 72 ALA H H 72 7.869 7.869 7.885 -0.016 25700 7260 1 13 . 1 1 73 73 ASN N N 73 116.297 116.297 117.502 -1.205 25700 7261 1 13 . 1 1 73 73 ASN HA H 73 5.076 5.076 4.516 0.560 25700 7262 1 13 . 1 1 73 73 ASN C C 73 173.794 173.794 174.682 -0.888 25700 7263 1 13 . 1 1 73 73 ASN CA C 73 51.612 51.612 52.591 -0.979 25700 7264 1 13 . 1 1 73 73 ASN CB C 73 40.647 40.647 39.547 1.100 25700 7265 1 13 . 1 1 73 73 ASN H H 73 7.265 7.265 7.446 -0.181 25700 7266 1 13 . 1 1 74 74 ARG N N 74 118.937 118.937 121.772 -2.835 25700 7267 1 13 . 1 1 74 74 ARG HA H 74 4.684 4.684 4.555 0.129 25700 7268 1 13 . 1 1 74 74 ARG C C 74 174.943 174.943 173.976 0.967 25700 7269 1 13 . 1 1 74 74 ARG CA C 74 54.523 54.523 54.051 0.472 25700 7270 1 13 . 1 1 74 74 ARG CB C 74 32.331 32.331 30.242 2.089 25700 7271 1 13 . 1 1 74 74 ARG H H 74 8.529 8.529 7.932 0.597 25700 7272 1 13 . 1 1 75 75 TYR N N 75 122.282 122.282 124.144 -1.862 25700 7273 1 13 . 1 1 75 75 TYR HA H 75 5.159 5.159 5.101 0.058 25700 7274 1 13 . 1 1 75 75 TYR C C 75 173.593 173.593 174.265 -0.672 25700 7275 1 13 . 1 1 75 75 TYR CA C 75 57.080 57.080 56.953 0.127 25700 7276 1 13 . 1 1 75 75 TYR CB C 75 41.202 41.202 40.579 0.623 25700 7277 1 13 . 1 1 75 75 TYR H H 75 8.691 8.691 8.738 -0.047 25700 7278 1 13 . 1 1 76 76 ALA N N 76 122.606 122.606 125.009 -2.403 25700 7279 1 13 . 1 1 76 76 ALA HA H 76 4.788 4.788 4.882 -0.094 25700 7280 1 13 . 1 1 76 76 ALA C C 76 175.765 175.765 174.784 0.981 25700 7281 1 13 . 1 1 76 76 ALA CA C 76 50.543 50.543 49.881 0.662 25700 7282 1 13 . 1 1 76 76 ALA CB C 76 23.070 23.070 22.953 0.117 25700 7283 1 13 . 1 1 76 76 ALA H H 76 8.688 8.688 9.340 -0.652 25700 7284 1 13 . 1 1 77 77 ALA N N 77 119.325 119.325 120.678 -1.353 25700 7285 1 13 . 1 1 77 77 ALA HA H 77 5.488 5.488 5.251 0.237 25700 7286 1 13 . 1 1 77 77 ALA C C 77 174.473 174.473 175.381 -0.908 25700 7287 1 13 . 1 1 77 77 ALA CA C 77 51.813 51.813 51.098 0.715 25700 7288 1 13 . 1 1 77 77 ALA CB C 77 24.137 24.137 22.895 1.242 25700 7289 1 13 . 1 1 77 77 ALA H H 77 8.584 8.584 8.228 0.356 25700 7290 1 13 . 1 1 78 78 ARG N N 78 122.822 122.822 119.500 3.322 25700 7291 1 13 . 1 1 78 78 ARG HA H 78 4.938 4.938 5.528 -0.590 25700 7292 1 13 . 1 1 78 78 ARG C C 78 173.170 173.170 173.897 -0.727 25700 7293 1 13 . 1 1 78 78 ARG CA C 78 54.890 54.890 55.158 -0.269 25700 7294 1 13 . 1 1 78 78 ARG CB C 78 34.467 34.467 32.848 1.619 25700 7295 1 13 . 1 1 78 78 ARG H H 78 8.807 8.807 9.139 -0.332 25700 7296 1 13 . 1 1 79 79 LEU N N 79 130.548 130.548 126.402 4.146 25700 7297 1 13 . 1 1 79 79 LEU HA H 79 5.440 5.440 5.388 0.052 25700 7298 1 13 . 1 1 79 79 LEU C C 79 173.434 173.434 174.342 -0.908 25700 7299 1 13 . 1 1 79 79 LEU CA C 79 53.186 53.186 53.273 -0.087 25700 7300 1 13 . 1 1 79 79 LEU CB C 79 45.369 45.369 46.333 -0.964 25700 7301 1 13 . 1 1 79 79 LEU H H 79 9.055 9.055 8.810 0.245 25700 7302 1 13 . 1 1 80 80 ASP N N 80 125.928 125.928 126.640 -0.712 25700 7303 1 13 . 1 1 80 80 ASP HA H 80 5.480 5.480 5.512 -0.032 25700 7304 1 13 . 1 1 80 80 ASP C C 80 175.805 175.805 175.446 0.359 25700 7305 1 13 . 1 1 80 80 ASP CA C 80 53.794 53.794 52.527 1.267 25700 7306 1 13 . 1 1 80 80 ASP CB C 80 44.119 44.119 43.397 0.722 25700 7307 1 13 . 1 1 80 80 ASP H H 80 9.251 9.251 9.194 0.057 25700 7308 1 13 . 1 1 81 81 VAL N N 81 123.295 123.295 127.667 -4.372 25700 7309 1 13 . 1 1 81 81 VAL HA H 81 4.843 4.843 4.465 0.378 25700 7310 1 13 . 1 1 81 81 VAL C C 81 174.136 174.136 174.649 -0.513 25700 7311 1 13 . 1 1 81 81 VAL CA C 81 61.438 61.438 61.843 -0.404 25700 7312 1 13 . 1 1 81 81 VAL CB C 81 35.299 35.299 32.589 2.711 25700 7313 1 13 . 1 1 81 81 VAL H H 81 8.947 8.947 8.768 0.179 25700 7314 1 13 . 1 1 82 82 SER N N 82 122.698 122.698 123.461 -0.763 25700 7315 1 13 . 1 1 82 82 SER HA H 82 5.380 5.380 5.337 0.043 25700 7316 1 13 . 1 1 82 82 SER C C 82 173.016 173.016 173.524 -0.508 25700 7317 1 13 . 1 1 82 82 SER CA C 82 57.195 57.195 56.895 0.300 25700 7318 1 13 . 1 1 82 82 SER CB C 82 64.477 64.477 64.261 0.216 25700 7319 1 13 . 1 1 82 82 SER H H 82 9.026 9.026 8.726 0.300 25700 7320 1 13 . 1 1 83 83 PHE N N 83 127.305 127.305 127.092 0.213 25700 7321 1 13 . 1 1 83 83 PHE HA H 83 4.781 4.781 4.876 -0.095 25700 7322 1 13 . 1 1 83 83 PHE C C 83 174.741 174.741 175.346 -0.605 25700 7323 1 13 . 1 1 83 83 PHE CA C 83 57.376 57.376 57.473 -0.097 25700 7324 1 13 . 1 1 83 83 PHE CB C 83 42.094 42.094 40.647 1.447 25700 7325 1 13 . 1 1 83 83 PHE H H 83 9.012 9.012 8.822 0.190 25700 7326 1 13 . 1 1 84 84 GLY N N 84 117.337 117.337 116.514 0.823 25700 7327 1 13 . 1 1 84 84 GLY C C 84 175.295 175.295 175.072 0.223 25700 7328 1 13 . 1 1 84 84 GLY CA C 84 47.086 47.086 46.514 0.572 25700 7329 1 13 . 1 1 84 84 GLY H H 84 8.784 8.784 8.470 0.314 25700 7330 1 13 . 1 1 85 85 SER N N 85 120.553 120.553 119.756 0.797 25700 7331 1 13 . 1 1 85 85 SER HA H 85 4.383 4.383 4.411 -0.028 25700 7332 1 13 . 1 1 85 85 SER C C 85 173.796 173.796 174.820 -1.024 25700 7333 1 13 . 1 1 85 85 SER CA C 85 59.095 59.095 58.255 0.840 25700 7334 1 13 . 1 1 85 85 SER CB C 85 63.360 63.360 63.849 -0.489 25700 7335 1 13 . 1 1 85 85 SER H H 85 8.687 8.687 8.382 0.305 25700 7336 1 13 . 1 1 86 86 VAL N N 86 121.297 121.297 122.503 -1.206 25700 7337 1 13 . 1 1 86 86 VAL HA H 86 4.504 4.504 4.274 0.230 25700 7338 1 13 . 1 1 86 86 VAL C C 86 174.888 174.888 173.951 0.937 25700 7339 1 13 . 1 1 86 86 VAL CA C 86 61.610 61.610 61.863 -0.253 25700 7340 1 13 . 1 1 86 86 VAL CB C 86 34.210 34.210 33.448 0.762 25700 7341 1 13 . 1 1 86 86 VAL H H 86 7.963 7.963 7.392 0.571 25700 7342 1 13 . 1 1 87 87 THR N N 87 119.631 119.631 123.793 -4.162 25700 7343 1 13 . 1 1 87 87 THR HA H 87 5.551 5.551 5.479 0.072 25700 7344 1 13 . 1 1 87 87 THR C C 87 174.271 174.271 173.647 0.624 25700 7345 1 13 . 1 1 87 87 THR CA C 87 60.550 60.550 61.855 -1.305 25700 7346 1 13 . 1 1 87 87 THR CB C 87 71.350 71.350 69.901 1.449 25700 7347 1 13 . 1 1 87 87 THR H H 87 8.302 8.302 8.439 -0.137 25700 7348 1 13 . 1 1 88 88 ILE N N 88 118.811 118.811 121.567 -2.756 25700 7349 1 13 . 1 1 88 88 ILE HA H 88 4.858 4.858 4.803 0.055 25700 7350 1 13 . 1 1 88 88 ILE C C 88 174.300 174.300 173.182 1.118 25700 7351 1 13 . 1 1 88 88 ILE CA C 88 59.380 59.380 59.236 0.144 25700 7352 1 13 . 1 1 88 88 ILE CB C 88 43.170 43.170 42.483 0.687 25700 7353 1 13 . 1 1 88 88 ILE H H 88 8.986 8.986 8.758 0.228 25700 7354 1 13 . 1 1 89 89 GLN N N 89 120.806 120.806 122.571 -1.765 25700 7355 1 13 . 1 1 89 89 GLN HA H 89 5.814 5.814 5.675 0.139 25700 7356 1 13 . 1 1 89 89 GLN C C 89 175.021 175.021 174.409 0.612 25700 7357 1 13 . 1 1 89 89 GLN CA C 89 54.171 54.171 54.501 -0.330 25700 7358 1 13 . 1 1 89 89 GLN CB C 89 34.262 34.262 32.367 1.895 25700 7359 1 13 . 1 1 89 89 GLN H H 89 8.481 8.481 8.462 0.019 25700 7360 1 13 . 1 1 90 90 CYS N N 90 118.531 118.531 119.941 -1.410 25700 7361 1 13 . 1 1 90 90 CYS HA H 90 5.010 5.010 5.061 -0.051 25700 7362 1 13 . 1 1 90 90 CYS C C 90 172.402 172.402 172.846 -0.444 25700 7363 1 13 . 1 1 90 90 CYS CA C 90 54.874 54.874 55.904 -1.030 25700 7364 1 13 . 1 1 90 90 CYS CB C 90 50.267 50.267 31.299 18.968 25700 7365 1 13 . 1 1 90 90 CYS H H 90 9.151 9.151 8.937 0.214 25700 7366 1 13 . 1 1 91 91 ASN N N 91 116.449 116.449 118.486 -2.037 25700 7367 1 13 . 1 1 91 91 ASN HA H 91 5.615 5.615 5.590 0.025 25700 7368 1 13 . 1 1 91 91 ASN C C 91 174.994 174.994 174.263 0.731 25700 7369 1 13 . 1 1 91 91 ASN CA C 91 52.484 52.484 52.830 -0.346 25700 7370 1 13 . 1 1 91 91 ASN CB C 91 43.331 43.331 41.471 1.860 25700 7371 1 13 . 1 1 91 91 ASN H H 91 8.791 8.791 8.317 0.474 25700 7372 1 13 . 1 1 92 92 LEU N N 92 123.391 123.391 125.959 -2.568 25700 7373 1 13 . 1 1 92 92 LEU HA H 92 4.286 4.286 4.482 -0.196 25700 7374 1 13 . 1 1 92 92 LEU C C 92 176.188 176.188 176.346 -0.158 25700 7375 1 13 . 1 1 92 92 LEU CA C 92 54.863 54.863 55.047 -0.184 25700 7376 1 13 . 1 1 92 92 LEU CB C 92 45.064 45.064 43.475 1.589 25700 7377 1 13 . 1 1 92 92 LEU H H 92 8.597 8.597 8.715 -0.118 25700 7378 1 13 . 1 1 93 93 ASP N N 93 129.020 129.020 126.990 2.030 25700 7379 1 13 . 1 1 93 93 ASP HA H 93 5.160 5.160 4.986 0.174 25700 7380 1 13 . 1 1 93 93 ASP C C 93 175.761 175.761 175.958 -0.197 25700 7381 1 13 . 1 1 93 93 ASP CA C 93 50.948 50.948 50.890 0.058 25700 7382 1 13 . 1 1 93 93 ASP CB C 93 41.136 41.136 41.746 -0.610 25700 7383 1 13 . 1 1 93 93 ASP H H 93 9.146 9.146 8.610 0.536 25700 7384 1 13 . 1 1 94 94 PRO HA H 94 4.304 4.304 4.603 -0.299 25700 7385 1 13 . 1 1 94 94 PRO C C 94 178.637 178.637 177.905 0.732 25700 7386 1 13 . 1 1 94 94 PRO CA C 94 64.830 64.830 64.659 0.171 25700 7387 1 13 . 1 1 94 94 PRO CB C 94 32.579 32.579 32.063 0.516 25700 7388 1 13 . 1 1 95 95 GLU N N 95 116.747 116.747 116.018 0.729 25700 7389 1 13 . 1 1 95 95 GLU HA H 95 4.223 4.223 4.252 -0.029 25700 7390 1 13 . 1 1 95 95 GLU C C 95 177.994 177.994 176.934 1.060 25700 7391 1 13 . 1 1 95 95 GLU CA C 95 57.773 57.773 57.619 0.154 25700 7392 1 13 . 1 1 95 95 GLU CB C 95 29.084 29.084 28.667 0.417 25700 7393 1 13 . 1 1 95 95 GLU H H 95 8.358 8.358 8.203 0.155 25700 7394 1 13 . 1 1 96 96 THR N N 96 109.182 109.182 109.365 -0.183 25700 7395 1 13 . 1 1 96 96 THR HA H 96 4.169 4.169 4.444 -0.275 25700 7396 1 13 . 1 1 96 96 THR C C 96 175.238 175.238 176.066 -0.828 25700 7397 1 13 . 1 1 96 96 THR CA C 96 63.038 63.038 63.125 -0.087 25700 7398 1 13 . 1 1 96 96 THR CB C 96 69.640 69.640 70.208 -0.568 25700 7399 1 13 . 1 1 96 96 THR H H 96 7.951 7.951 7.920 0.031 25700 7400 1 13 . 1 1 97 97 VAL N N 97 121.118 121.118 122.696 -1.578 25700 7401 1 13 . 1 1 97 97 VAL HA H 97 3.770 3.770 3.735 0.035 25700 7402 1 13 . 1 1 97 97 VAL C C 97 174.851 174.851 175.851 -1.000 25700 7403 1 13 . 1 1 97 97 VAL CA C 97 63.272 63.272 65.349 -2.077 25700 7404 1 13 . 1 1 97 97 VAL CB C 97 30.627 30.627 31.707 -1.080 25700 7405 1 13 . 1 1 97 97 VAL H H 97 7.175 7.175 7.201 -0.026 25700 7406 1 13 . 1 1 98 98 LYS N N 98 123.245 123.245 119.602 3.643 25700 7407 1 13 . 1 1 98 98 LYS HA H 98 4.385 4.385 4.301 0.084 25700 7408 1 13 . 1 1 98 98 LYS C C 98 175.612 175.612 176.757 -1.145 25700 7409 1 13 . 1 1 98 98 LYS CA C 98 55.812 55.812 57.072 -1.260 25700 7410 1 13 . 1 1 98 98 LYS CB C 98 33.804 33.804 30.412 3.392 25700 7411 1 13 . 1 1 98 98 LYS H H 98 7.712 7.712 7.958 -0.246 25700 7412 1 13 . 1 1 99 99 LEU N N 99 122.457 122.457 119.048 3.409 25700 7413 1 13 . 1 1 99 99 LEU HA H 99 4.123 4.123 3.688 0.435 25700 7414 1 13 . 1 1 99 99 LEU C C 99 177.160 177.160 176.212 0.948 25700 7415 1 13 . 1 1 99 99 LEU CA C 99 55.309 55.309 58.145 -2.836 25700 7416 1 13 . 1 1 99 99 LEU CB C 99 42.319 42.319 40.203 2.115 25700 7417 1 13 . 1 1 99 99 LEU H H 99 8.110 8.110 8.627 -0.517 25700 7418 1 13 . 1 1 100 100 GLU N N 100 120.800 120.800 120.297 0.503 25700 7419 1 13 . 1 1 100 100 GLU HA H 100 4.151 4.151 4.460 -0.309 25700 7420 1 13 . 1 1 100 100 GLU C C 100 176.070 176.070 175.137 0.933 25700 7421 1 13 . 1 1 100 100 GLU CA C 100 56.740 56.740 55.382 1.358 25700 7422 1 13 . 1 1 100 100 GLU CB C 100 30.060 30.060 31.340 -1.280 25700 7423 1 13 . 1 1 100 100 GLU H H 100 8.340 8.340 8.163 0.177 25700 7424 1 14 . 1 1 2 2 VAL N N 2 123.080 123.080 123.138 -0.058 25700 7425 1 14 . 1 1 2 2 VAL HA H 2 4.678 4.678 4.430 0.248 25700 7426 1 14 . 1 1 2 2 VAL C C 2 171.871 171.871 174.573 -2.702 25700 7427 1 14 . 1 1 2 2 VAL CA C 2 59.500 59.500 60.333 -0.833 25700 7428 1 14 . 1 1 2 2 VAL CB C 2 34.185 34.185 34.238 -0.053 25700 7429 1 14 . 1 1 2 2 VAL H H 2 8.041 8.041 8.320 -0.279 25700 7430 1 14 . 1 1 3 3 GLN N N 3 123.080 123.080 121.295 1.785 25700 7431 1 14 . 1 1 3 3 GLN HA H 3 4.660 4.660 4.775 -0.115 25700 7432 1 14 . 1 1 3 3 GLN CA C 3 54.109 54.109 52.938 1.171 25700 7433 1 14 . 1 1 3 3 GLN CB C 3 33.338 33.338 33.033 0.305 25700 7434 1 14 . 1 1 3 3 GLN H H 3 8.126 8.126 9.062 -0.936 25700 7435 1 14 . 1 1 4 4 CYS N N 4 115.260 115.260 117.002 -1.742 25700 7436 1 14 . 1 1 4 4 CYS HA H 4 5.676 5.676 5.019 0.657 25700 7437 1 14 . 1 1 4 4 CYS C C 4 171.720 171.720 173.185 -1.465 25700 7438 1 14 . 1 1 4 4 CYS CA C 4 53.402 53.402 57.134 -3.732 25700 7439 1 14 . 1 1 4 4 CYS CB C 4 45.525 45.525 30.763 14.762 25700 7440 1 14 . 1 1 4 4 CYS H H 4 8.909 8.909 8.469 0.440 25700 7441 1 14 . 1 1 5 5 GLU N N 5 117.764 117.764 120.881 -3.117 25700 7442 1 14 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.716 -0.237 25700 7443 1 14 . 1 1 5 5 GLU C C 5 174.088 174.088 174.199 -0.111 25700 7444 1 14 . 1 1 5 5 GLU CA C 5 54.838 54.838 54.903 -0.065 25700 7445 1 14 . 1 1 5 5 GLU CB C 5 34.155 34.155 34.064 0.091 25700 7446 1 14 . 1 1 5 5 GLU H H 5 8.580 8.580 8.332 0.248 25700 7447 1 14 . 1 1 6 6 VAL N N 6 120.471 120.471 116.627 3.844 25700 7448 1 14 . 1 1 6 6 VAL HA H 6 4.427 4.427 4.332 0.095 25700 7449 1 14 . 1 1 6 6 VAL C C 6 174.211 174.211 174.309 -0.098 25700 7450 1 14 . 1 1 6 6 VAL CA C 6 61.540 61.540 60.640 0.900 25700 7451 1 14 . 1 1 6 6 VAL CB C 6 32.618 32.618 32.220 0.398 25700 7452 1 14 . 1 1 6 6 VAL H H 6 8.588 8.588 8.250 0.338 25700 7453 1 14 . 1 1 7 7 GLU N N 7 125.816 125.816 126.443 -0.627 25700 7454 1 14 . 1 1 7 7 GLU HA H 7 4.548 4.548 4.781 -0.233 25700 7455 1 14 . 1 1 7 7 GLU C C 7 174.194 174.194 175.176 -0.982 25700 7456 1 14 . 1 1 7 7 GLU CA C 7 54.524 54.524 54.003 0.521 25700 7457 1 14 . 1 1 7 7 GLU CB C 7 33.291 33.291 33.087 0.204 25700 7458 1 14 . 1 1 7 7 GLU H H 7 8.820 8.820 8.124 0.696 25700 7459 1 14 . 1 1 8 8 ALA N N 8 122.882 122.882 123.006 -0.124 25700 7460 1 14 . 1 1 8 8 ALA HA H 8 5.238 5.238 4.630 0.608 25700 7461 1 14 . 1 1 8 8 ALA C C 8 175.557 175.557 175.614 -0.057 25700 7462 1 14 . 1 1 8 8 ALA CA C 8 49.950 49.950 51.069 -1.119 25700 7463 1 14 . 1 1 8 8 ALA CB C 8 22.730 22.730 21.305 1.425 25700 7464 1 14 . 1 1 8 8 ALA H H 8 8.410 8.410 8.382 0.028 25700 7465 1 14 . 1 1 9 9 ALA N N 9 124.110 124.110 128.480 -4.370 25700 7466 1 14 . 1 1 9 9 ALA HA H 9 4.691 4.691 4.746 -0.055 25700 7467 1 14 . 1 1 9 9 ALA C C 9 176.300 176.300 175.632 0.668 25700 7468 1 14 . 1 1 9 9 ALA CA C 9 50.825 50.825 50.531 0.294 25700 7469 1 14 . 1 1 9 9 ALA CB C 9 21.240 21.240 20.150 1.090 25700 7470 1 14 . 1 1 9 9 ALA H H 9 8.407 8.407 9.093 -0.686 25700 7471 1 14 . 1 1 10 10 VAL N N 10 126.780 126.780 126.344 0.436 25700 7472 1 14 . 1 1 10 10 VAL HA H 10 4.379 4.379 4.308 0.071 25700 7473 1 14 . 1 1 10 10 VAL C C 10 175.717 175.717 175.736 -0.019 25700 7474 1 14 . 1 1 10 10 VAL CA C 10 61.580 61.580 62.652 -1.072 25700 7475 1 14 . 1 1 10 10 VAL CB C 10 32.209 32.209 32.251 -0.042 25700 7476 1 14 . 1 1 10 10 VAL H H 10 8.860 8.860 8.541 0.319 25700 7477 1 14 . 1 1 11 11 SER N N 11 120.868 120.868 123.490 -2.622 25700 7478 1 14 . 1 1 11 11 SER HA H 11 4.448 4.448 4.713 -0.265 25700 7479 1 14 . 1 1 11 11 SER C C 11 175.498 175.498 174.358 1.140 25700 7480 1 14 . 1 1 11 11 SER CA C 11 57.590 57.590 56.839 0.751 25700 7481 1 14 . 1 1 11 11 SER CB C 11 64.000 64.000 65.033 -1.033 25700 7482 1 14 . 1 1 11 11 SER H H 11 8.478 8.478 9.060 -0.582 25700 7483 1 14 . 1 1 12 12 GLY N N 12 116.896 116.896 108.406 8.490 25700 7484 1 14 . 1 1 12 12 GLY C C 12 174.994 174.994 174.682 0.312 25700 7485 1 14 . 1 1 12 12 GLY CA C 12 47.515 47.515 45.591 1.924 25700 7486 1 14 . 1 1 12 12 GLY H H 12 9.120 9.120 8.467 0.653 25700 7487 1 14 . 1 1 13 13 GLY N N 13 108.984 108.984 113.582 -4.598 25700 7488 1 14 . 1 1 13 13 GLY C C 13 174.440 174.440 173.467 0.973 25700 7489 1 14 . 1 1 13 13 GLY CA C 13 45.383 45.383 44.950 0.433 25700 7490 1 14 . 1 1 13 13 GLY H H 13 8.816 8.816 8.072 0.744 25700 7491 1 14 . 1 1 14 14 HIS N N 14 118.737 118.737 118.402 0.335 25700 7492 1 14 . 1 1 14 14 HIS HA H 14 5.458 5.458 5.335 0.123 25700 7493 1 14 . 1 1 14 14 HIS C C 14 172.243 172.243 173.043 -0.800 25700 7494 1 14 . 1 1 14 14 HIS CA C 14 54.905 54.905 55.681 -0.776 25700 7495 1 14 . 1 1 14 14 HIS CB C 14 32.311 32.311 34.121 -1.810 25700 7496 1 14 . 1 1 14 14 HIS H H 14 8.084 8.084 7.336 0.748 25700 7497 1 14 . 1 1 15 15 VAL N N 15 120.204 120.204 121.938 -1.734 25700 7498 1 14 . 1 1 15 15 VAL HA H 15 4.932 4.932 4.804 0.128 25700 7499 1 14 . 1 1 15 15 VAL C C 15 172.314 172.314 174.081 -1.767 25700 7500 1 14 . 1 1 15 15 VAL CA C 15 58.540 58.540 59.981 -1.441 25700 7501 1 14 . 1 1 15 15 VAL CB C 15 34.285 34.285 34.614 -0.329 25700 7502 1 14 . 1 1 15 15 VAL H H 15 9.369 9.369 9.224 0.145 25700 7503 1 14 . 1 1 16 16 THR N N 16 123.685 123.685 126.665 -2.980 25700 7504 1 14 . 1 1 16 16 THR HA H 16 5.220 5.220 4.826 0.394 25700 7505 1 14 . 1 1 16 16 THR C C 16 174.478 174.478 173.128 1.350 25700 7506 1 14 . 1 1 16 16 THR CA C 16 61.481 61.481 62.930 -1.449 25700 7507 1 14 . 1 1 16 16 THR CB C 16 70.017 70.017 69.162 0.855 25700 7508 1 14 . 1 1 16 16 THR H H 16 8.604 8.604 9.246 -0.642 25700 7509 1 14 . 1 1 17 17 LEU N N 17 128.958 128.958 129.245 -0.287 25700 7510 1 14 . 1 1 17 17 LEU HA H 17 5.407 5.407 4.625 0.782 25700 7511 1 14 . 1 1 17 17 LEU C C 17 174.481 174.481 174.192 0.289 25700 7512 1 14 . 1 1 17 17 LEU CA C 17 53.999 53.999 54.060 -0.061 25700 7513 1 14 . 1 1 17 17 LEU CB C 17 44.108 44.108 44.560 -0.452 25700 7514 1 14 . 1 1 17 17 LEU H H 17 9.627 9.627 9.182 0.445 25700 7515 1 14 . 1 1 18 18 GLN N N 18 115.227 115.227 120.842 -5.615 25700 7516 1 14 . 1 1 18 18 GLN HA H 18 4.465 4.465 4.833 -0.368 25700 7517 1 14 . 1 1 18 18 GLN C C 18 174.042 174.042 174.337 -0.295 25700 7518 1 14 . 1 1 18 18 GLN CA C 18 53.725 53.725 54.387 -0.662 25700 7519 1 14 . 1 1 18 18 GLN CB C 18 31.767 31.767 32.462 -0.695 25700 7520 1 14 . 1 1 18 18 GLN H H 18 8.243 8.243 8.337 -0.094 25700 7521 1 14 . 1 1 19 19 GLY N N 19 107.795 107.795 108.516 -0.721 25700 7522 1 14 . 1 1 19 19 GLY C C 19 172.005 172.005 173.043 -1.038 25700 7523 1 14 . 1 1 19 19 GLY CA C 19 44.485 44.485 43.752 0.733 25700 7524 1 14 . 1 1 19 19 GLY H H 19 9.100 9.100 9.044 0.056 25700 7525 1 14 . 1 1 20 20 VAL N N 20 120.951 120.951 127.014 -6.063 25700 7526 1 14 . 1 1 20 20 VAL HA H 20 4.634 4.634 4.024 0.610 25700 7527 1 14 . 1 1 20 20 VAL C C 20 175.670 175.670 175.390 0.280 25700 7528 1 14 . 1 1 20 20 VAL CA C 20 61.380 61.380 62.635 -1.255 25700 7529 1 14 . 1 1 20 20 VAL CB C 20 33.990 33.990 32.218 1.772 25700 7530 1 14 . 1 1 20 20 VAL H H 20 8.859 8.859 9.104 -0.245 25700 7531 1 14 . 1 1 21 21 ILE N N 21 129.511 129.511 131.515 -2.004 25700 7532 1 14 . 1 1 21 21 ILE HA H 21 4.443 4.443 4.359 0.084 25700 7533 1 14 . 1 1 21 21 ILE C C 21 174.567 174.567 175.597 -1.030 25700 7534 1 14 . 1 1 21 21 ILE CA C 21 59.883 59.883 60.457 -0.574 25700 7535 1 14 . 1 1 21 21 ILE CB C 21 41.152 41.152 38.471 2.682 25700 7536 1 14 . 1 1 21 21 ILE H H 21 9.304 9.304 9.152 0.152 25700 7537 1 14 . 1 1 22 22 THR N N 22 120.311 120.311 125.725 -5.414 25700 7538 1 14 . 1 1 22 22 THR HA H 22 4.479 4.479 4.799 -0.320 25700 7539 1 14 . 1 1 22 22 THR C C 22 172.996 172.996 173.310 -0.314 25700 7540 1 14 . 1 1 22 22 THR CA C 22 61.647 61.647 62.700 -1.053 25700 7541 1 14 . 1 1 22 22 THR CB C 22 70.230 70.230 69.442 0.788 25700 7542 1 14 . 1 1 22 22 THR H H 22 8.063 8.063 8.459 -0.396 25700 7543 1 14 . 1 1 23 23 ALA N N 23 104.959 104.959 129.475 -24.516 25700 7544 1 14 . 1 1 23 23 ALA HA H 23 5.056 5.056 4.766 0.290 25700 7545 1 14 . 1 1 23 23 ALA C C 23 177.722 177.722 177.339 0.383 25700 7546 1 14 . 1 1 23 23 ALA CA C 23 49.963 49.963 50.220 -0.257 25700 7547 1 14 . 1 1 23 23 ALA CB C 23 22.915 22.915 21.285 1.630 25700 7548 1 14 . 1 1 23 23 ALA H H 23 9.764 9.764 8.810 0.954 25700 7549 1 14 . 1 1 24 24 VAL N N 24 113.370 113.370 122.523 -9.153 25700 7550 1 14 . 1 1 24 24 VAL HA H 24 4.083 4.083 3.997 0.086 25700 7551 1 14 . 1 1 24 24 VAL C C 24 174.539 174.539 175.630 -1.091 25700 7552 1 14 . 1 1 24 24 VAL CA C 24 62.339 62.339 63.852 -1.513 25700 7553 1 14 . 1 1 24 24 VAL CB C 24 31.933 31.933 31.410 0.523 25700 7554 1 14 . 1 1 24 24 VAL H H 24 8.239 8.239 8.410 -0.171 25700 7555 1 14 . 1 1 25 25 ARG N N 25 116.002 116.002 118.624 -2.622 25700 7556 1 14 . 1 1 25 25 ARG HA H 25 4.740 4.740 4.533 0.207 25700 7557 1 14 . 1 1 25 25 ARG C C 25 172.797 172.797 174.961 -2.164 25700 7558 1 14 . 1 1 25 25 ARG CA C 25 53.284 53.284 53.684 -0.400 25700 7559 1 14 . 1 1 25 25 ARG CB C 25 33.542 33.542 32.908 0.634 25700 7560 1 14 . 1 1 25 25 ARG H H 25 7.308 7.308 7.388 -0.080 25700 7561 1 14 . 1 1 26 26 ASP N N 26 118.075 118.075 122.369 -4.294 25700 7562 1 14 . 1 1 26 26 ASP HA H 26 4.665 4.665 4.998 -0.333 25700 7563 1 14 . 1 1 26 26 ASP C C 26 177.721 177.721 176.174 1.547 25700 7564 1 14 . 1 1 26 26 ASP CA C 26 53.911 53.911 53.764 0.147 25700 7565 1 14 . 1 1 26 26 ASP CB C 26 41.143 41.143 41.710 -0.567 25700 7566 1 14 . 1 1 26 26 ASP H H 26 8.301 8.301 8.424 -0.123 25700 7567 1 14 . 1 1 27 27 GLY N N 27 106.966 106.966 107.594 -0.628 25700 7568 1 14 . 1 1 27 27 GLY C C 27 170.472 170.472 172.053 -1.581 25700 7569 1 14 . 1 1 27 27 GLY CA C 27 46.213 46.213 44.677 1.536 25700 7570 1 14 . 1 1 27 27 GLY H H 27 8.276 8.276 8.054 0.222 25700 7571 1 14 . 1 1 28 28 ALA N N 28 122.805 122.805 123.713 -0.908 25700 7572 1 14 . 1 1 28 28 ALA HA H 28 4.898 4.898 5.007 -0.109 25700 7573 1 14 . 1 1 28 28 ALA C C 28 176.720 176.720 175.948 0.772 25700 7574 1 14 . 1 1 28 28 ALA CA C 28 50.756 50.756 50.701 0.055 25700 7575 1 14 . 1 1 28 28 ALA CB C 28 21.482 21.482 21.610 -0.128 25700 7576 1 14 . 1 1 28 28 ALA H H 28 8.065 8.065 8.236 -0.171 25700 7577 1 14 . 1 1 29 29 GLY N N 29 106.538 106.538 107.706 -1.168 25700 7578 1 14 . 1 1 29 29 GLY C C 29 172.866 172.866 171.000 1.866 25700 7579 1 14 . 1 1 29 29 GLY CA C 29 45.538 45.538 42.852 2.686 25700 7580 1 14 . 1 1 29 29 GLY H H 29 7.654 7.654 8.730 -1.076 25700 7581 1 14 . 1 1 30 30 SER N N 30 116.216 116.216 113.109 3.107 25700 7582 1 14 . 1 1 30 30 SER HA H 30 5.564 5.564 4.602 0.962 25700 7583 1 14 . 1 1 30 30 SER C C 30 172.216 172.216 172.601 -0.385 25700 7584 1 14 . 1 1 30 30 SER CA C 30 57.505 57.505 56.574 0.931 25700 7585 1 14 . 1 1 30 30 SER CB C 30 66.321 66.321 65.654 0.667 25700 7586 1 14 . 1 1 30 30 SER H H 30 9.185 9.185 7.738 1.447 25700 7587 1 14 . 1 1 31 31 TYR N N 31 118.467 118.467 117.052 1.415 25700 7588 1 14 . 1 1 31 31 TYR HA H 31 6.035 6.035 5.120 0.915 25700 7589 1 14 . 1 1 31 31 TYR C C 31 174.138 174.138 173.849 0.289 25700 7590 1 14 . 1 1 31 31 TYR CA C 31 55.806 55.806 56.428 -0.622 25700 7591 1 14 . 1 1 31 31 TYR CB C 31 43.091 43.091 41.533 1.558 25700 7592 1 14 . 1 1 31 31 TYR H H 31 9.215 9.215 8.664 0.551 25700 7593 1 14 . 1 1 32 32 LYS N N 32 121.086 121.086 119.810 1.276 25700 7594 1 14 . 1 1 32 32 LYS HA H 32 4.772 4.772 4.972 -0.200 25700 7595 1 14 . 1 1 32 32 LYS C C 32 173.750 173.750 174.257 -0.507 25700 7596 1 14 . 1 1 32 32 LYS CA C 32 56.495 56.495 55.299 1.196 25700 7597 1 14 . 1 1 32 32 LYS CB C 32 35.800 35.800 34.608 1.192 25700 7598 1 14 . 1 1 32 32 LYS H H 32 8.904 8.904 9.337 -0.433 25700 7599 1 14 . 1 1 33 33 LEU N N 33 128.296 128.296 127.124 1.172 25700 7600 1 14 . 1 1 33 33 LEU HA H 33 5.329 5.329 5.234 0.095 25700 7601 1 14 . 1 1 33 33 LEU C C 33 173.389 173.389 174.159 -0.770 25700 7602 1 14 . 1 1 33 33 LEU CA C 33 53.547 53.547 52.757 0.790 25700 7603 1 14 . 1 1 33 33 LEU CB C 33 45.460 45.460 45.142 0.317 25700 7604 1 14 . 1 1 33 33 LEU H H 33 9.663 9.663 9.066 0.597 25700 7605 1 14 . 1 1 34 34 ALA N N 34 129.791 129.791 129.736 0.055 25700 7606 1 14 . 1 1 34 34 ALA HA H 34 5.419 5.419 5.219 0.200 25700 7607 1 14 . 1 1 34 34 ALA C C 34 176.313 176.313 175.162 1.151 25700 7608 1 14 . 1 1 34 34 ALA CA C 34 50.605 50.605 50.248 0.357 25700 7609 1 14 . 1 1 34 34 ALA CB C 34 21.237 21.237 22.643 -1.406 25700 7610 1 14 . 1 1 34 34 ALA H H 34 9.044 9.044 9.354 -0.310 25700 7611 1 14 . 1 1 35 35 VAL N N 35 124.532 124.532 123.642 0.890 25700 7612 1 14 . 1 1 35 35 VAL HA H 35 4.844 4.844 4.562 0.282 25700 7613 1 14 . 1 1 35 35 VAL C C 35 173.511 173.511 174.506 -0.995 25700 7614 1 14 . 1 1 35 35 VAL CA C 35 61.113 61.113 61.507 -0.394 25700 7615 1 14 . 1 1 35 35 VAL CB C 35 35.152 35.152 34.361 0.791 25700 7616 1 14 . 1 1 35 35 VAL H H 35 9.332 9.332 8.760 0.572 25700 7617 1 14 . 1 1 36 36 ASP N N 36 127.077 127.077 127.129 -0.052 25700 7618 1 14 . 1 1 36 36 ASP HA H 36 5.560 5.560 5.018 0.542 25700 7619 1 14 . 1 1 36 36 ASP C C 36 174.146 174.146 174.507 -0.361 25700 7620 1 14 . 1 1 36 36 ASP CA C 36 53.219 53.219 53.067 0.152 25700 7621 1 14 . 1 1 36 36 ASP CB C 36 44.387 44.387 43.145 1.242 25700 7622 1 14 . 1 1 36 36 ASP H H 36 9.169 9.169 9.161 0.008 25700 7623 1 14 . 1 1 37 37 LYS N N 37 122.568 122.568 127.359 -4.791 25700 7624 1 14 . 1 1 37 37 LYS HA H 37 4.673 4.673 5.626 -0.953 25700 7625 1 14 . 1 1 37 37 LYS C C 37 173.710 173.710 174.070 -0.360 25700 7626 1 14 . 1 1 37 37 LYS CA C 37 54.410 54.410 54.578 -0.168 25700 7627 1 14 . 1 1 37 37 LYS CB C 37 34.907 34.907 36.140 -1.233 25700 7628 1 14 . 1 1 37 37 LYS H H 37 8.665 8.665 8.081 0.584 25700 7629 1 14 . 1 1 38 38 ALA N N 38 130.221 130.221 128.730 1.491 25700 7630 1 14 . 1 1 38 38 ALA HA H 38 4.983 4.983 5.175 -0.192 25700 7631 1 14 . 1 1 38 38 ALA C C 38 176.141 176.141 175.263 0.878 25700 7632 1 14 . 1 1 38 38 ALA CA C 38 51.093 51.093 51.392 -0.299 25700 7633 1 14 . 1 1 38 38 ALA CB C 38 21.778 21.778 21.669 0.109 25700 7634 1 14 . 1 1 38 38 ALA H H 38 8.798 8.798 8.984 -0.186 25700 7635 1 14 . 1 1 39 39 GLY N N 39 109.328 109.328 109.492 -0.164 25700 7636 1 14 . 1 1 39 39 GLY C C 39 174.208 174.208 174.426 -0.218 25700 7637 1 14 . 1 1 39 39 GLY CA C 39 44.645 44.645 44.237 0.408 25700 7638 1 14 . 1 1 39 39 GLY H H 39 7.851 7.851 8.675 -0.824 25700 7639 1 14 . 1 1 40 40 ALA N N 40 125.088 125.088 121.976 3.112 25700 7640 1 14 . 1 1 40 40 ALA HA H 40 4.051 4.051 4.202 -0.151 25700 7641 1 14 . 1 1 40 40 ALA C C 40 178.917 178.917 178.852 0.065 25700 7642 1 14 . 1 1 40 40 ALA CA C 40 54.841 54.841 54.380 0.461 25700 7643 1 14 . 1 1 40 40 ALA CB C 40 18.293 18.293 18.565 -0.272 25700 7644 1 14 . 1 1 40 40 ALA H H 40 8.766 8.766 8.402 0.364 25700 7645 1 14 . 1 1 41 41 ALA N N 41 117.569 117.569 120.094 -2.525 25700 7646 1 14 . 1 1 41 41 ALA HA H 41 4.419 4.419 4.437 -0.018 25700 7647 1 14 . 1 1 41 41 ALA C C 41 177.136 177.136 177.871 -0.735 25700 7648 1 14 . 1 1 41 41 ALA CA C 41 51.929 51.929 51.514 0.415 25700 7649 1 14 . 1 1 41 41 ALA CB C 41 18.774 18.774 18.999 -0.225 25700 7650 1 14 . 1 1 41 41 ALA H H 41 8.300 8.300 8.045 0.255 25700 7651 1 14 . 1 1 42 42 GLY N N 42 106.796 106.796 106.738 0.058 25700 7652 1 14 . 1 1 42 42 GLY C C 42 173.379 173.379 172.400 0.979 25700 7653 1 14 . 1 1 42 42 GLY CA C 42 44.336 44.336 44.319 0.017 25700 7654 1 14 . 1 1 42 42 GLY H H 42 7.577 7.577 7.592 -0.015 25700 7655 1 14 . 1 1 43 43 THR N N 43 116.541 116.541 111.992 4.549 25700 7656 1 14 . 1 1 43 43 THR HA H 43 5.263 5.263 5.294 -0.031 25700 7657 1 14 . 1 1 43 43 THR C C 43 174.244 174.244 174.106 0.138 25700 7658 1 14 . 1 1 43 43 THR CA C 43 61.137 61.137 60.850 0.287 25700 7659 1 14 . 1 1 43 43 THR CB C 43 70.759 70.759 71.241 -0.482 25700 7660 1 14 . 1 1 43 43 THR H H 43 8.526 8.526 8.320 0.206 25700 7661 1 14 . 1 1 44 44 SER N N 44 120.903 120.903 115.807 5.096 25700 7662 1 14 . 1 1 44 44 SER HA H 44 4.759 4.759 4.687 0.072 25700 7663 1 14 . 1 1 44 44 SER C C 44 172.241 172.241 173.022 -0.781 25700 7664 1 14 . 1 1 44 44 SER CA C 44 57.340 57.340 57.726 -0.386 25700 7665 1 14 . 1 1 44 44 SER CB C 44 65.568 65.568 66.413 -0.845 25700 7666 1 14 . 1 1 44 44 SER H H 44 8.904 8.904 9.021 -0.117 25700 7667 1 14 . 1 1 45 45 ARG N N 45 124.546 124.546 122.985 1.561 25700 7668 1 14 . 1 1 45 45 ARG HA H 45 5.489 5.489 4.641 0.848 25700 7669 1 14 . 1 1 45 45 ARG C C 45 175.520 175.520 175.882 -0.362 25700 7670 1 14 . 1 1 45 45 ARG CA C 45 55.101 55.101 54.840 0.261 25700 7671 1 14 . 1 1 45 45 ARG CB C 45 32.760 32.760 30.513 2.247 25700 7672 1 14 . 1 1 45 45 ARG H H 45 8.579 8.579 8.556 0.023 25700 7673 1 14 . 1 1 46 46 ILE N N 46 127.920 127.920 128.591 -0.671 25700 7674 1 14 . 1 1 46 46 ILE HA H 46 4.460 4.460 4.245 0.215 25700 7675 1 14 . 1 1 46 46 ILE C C 46 174.450 174.450 174.473 -0.023 25700 7676 1 14 . 1 1 46 46 ILE CA C 46 60.220 60.220 60.577 -0.357 25700 7677 1 14 . 1 1 46 46 ILE CB C 46 41.290 41.290 38.921 2.369 25700 7678 1 14 . 1 1 46 46 ILE H H 46 9.344 9.344 8.721 0.623 25700 7679 1 14 . 1 1 47 47 LYS N N 47 126.061 126.061 128.430 -2.369 25700 7680 1 14 . 1 1 47 47 LYS HA H 47 5.514 5.514 4.720 0.794 25700 7681 1 14 . 1 1 47 47 LYS C C 47 175.790 175.790 175.411 0.379 25700 7682 1 14 . 1 1 47 47 LYS CA C 47 54.870 54.870 55.273 -0.403 25700 7683 1 14 . 1 1 47 47 LYS CB C 47 35.386 35.386 34.482 0.904 25700 7684 1 14 . 1 1 47 47 LYS H H 47 8.734 8.734 8.718 0.016 25700 7685 1 14 . 1 1 48 48 GLN N N 48 122.633 122.633 125.892 -3.259 25700 7686 1 14 . 1 1 48 48 GLN HA H 48 4.669 4.669 4.683 -0.014 25700 7687 1 14 . 1 1 48 48 GLN C C 48 173.659 173.659 173.843 -0.184 25700 7688 1 14 . 1 1 48 48 GLN CA C 48 54.895 54.895 54.803 0.092 25700 7689 1 14 . 1 1 48 48 GLN CB C 48 33.072 33.072 32.446 0.626 25700 7690 1 14 . 1 1 48 48 GLN H H 48 9.228 9.228 9.251 -0.023 25700 7691 1 14 . 1 1 49 49 ALA N N 49 125.634 125.634 126.144 -0.510 25700 7692 1 14 . 1 1 49 49 ALA HA H 49 4.544 4.544 5.286 -0.742 25700 7693 1 14 . 1 1 49 49 ALA C C 49 175.881 175.881 176.202 -0.321 25700 7694 1 14 . 1 1 49 49 ALA CA C 49 50.993 50.993 51.055 -0.062 25700 7695 1 14 . 1 1 49 49 ALA CB C 49 22.620 22.620 21.933 0.687 25700 7696 1 14 . 1 1 49 49 ALA H H 49 8.557 8.557 8.510 0.047 25700 7697 1 14 . 1 1 50 50 GLY N N 50 105.483 105.483 108.969 -3.486 25700 7698 1 14 . 1 1 50 50 GLY C C 50 170.217 170.217 171.551 -1.334 25700 7699 1 14 . 1 1 50 50 GLY CA C 50 45.670 45.670 46.211 -0.541 25700 7700 1 14 . 1 1 50 50 GLY H H 50 6.865 6.865 8.586 -1.721 25700 7701 1 14 . 1 1 51 51 ALA N N 51 122.908 122.908 121.901 1.007 25700 7702 1 14 . 1 1 51 51 ALA HA H 51 5.265 5.265 4.832 0.433 25700 7703 1 14 . 1 1 51 51 ALA C C 51 176.793 176.793 175.192 1.601 25700 7704 1 14 . 1 1 51 51 ALA CA C 51 50.736 50.736 50.899 -0.163 25700 7705 1 14 . 1 1 51 51 ALA CB C 51 21.840 21.840 21.495 0.345 25700 7706 1 14 . 1 1 51 51 ALA H H 51 8.522 8.522 8.092 0.430 25700 7707 1 14 . 1 1 52 52 PHE N N 52 115.156 115.156 122.093 -6.937 25700 7708 1 14 . 1 1 52 52 PHE HA H 52 5.106 5.106 4.926 0.180 25700 7709 1 14 . 1 1 52 52 PHE C C 52 172.832 172.832 173.904 -1.072 25700 7710 1 14 . 1 1 52 52 PHE CA C 52 56.890 56.890 56.206 0.684 25700 7711 1 14 . 1 1 52 52 PHE CB C 52 42.428 42.428 42.653 -0.225 25700 7712 1 14 . 1 1 52 52 PHE H H 52 8.191 8.191 8.862 -0.671 25700 7713 1 14 . 1 1 53 53 THR N N 53 116.180 116.180 116.483 -0.303 25700 7714 1 14 . 1 1 53 53 THR HA H 53 4.631 4.631 4.409 0.222 25700 7715 1 14 . 1 1 53 53 THR C C 53 172.769 172.769 173.122 -0.353 25700 7716 1 14 . 1 1 53 53 THR CA C 53 61.610 61.610 61.940 -0.330 25700 7717 1 14 . 1 1 53 53 THR CB C 53 70.736 70.736 68.459 2.277 25700 7718 1 14 . 1 1 53 53 THR H H 53 8.650 8.650 6.651 1.999 25700 7719 1 14 . 1 1 54 54 ALA N N 54 127.969 127.969 129.694 -1.725 25700 7720 1 14 . 1 1 54 54 ALA HA H 54 4.748 4.748 4.751 -0.003 25700 7721 1 14 . 1 1 54 54 ALA C C 54 176.369 176.369 175.322 1.047 25700 7722 1 14 . 1 1 54 54 ALA CA C 54 51.397 51.397 50.597 0.800 25700 7723 1 14 . 1 1 54 54 ALA CB C 54 22.010 22.010 21.871 0.139 25700 7724 1 14 . 1 1 54 54 ALA H H 54 9.353 9.353 8.949 0.404 25700 7725 1 14 . 1 1 55 55 ILE N N 55 123.326 123.326 122.390 0.936 25700 7726 1 14 . 1 1 55 55 ILE HA H 55 4.391 4.391 4.114 0.277 25700 7727 1 14 . 1 1 55 55 ILE C C 55 176.079 176.079 175.799 0.280 25700 7728 1 14 . 1 1 55 55 ILE CA C 55 59.138 59.138 60.626 -1.488 25700 7729 1 14 . 1 1 55 55 ILE CB C 55 39.451 39.451 39.834 -0.383 25700 7730 1 14 . 1 1 55 55 ILE H H 55 7.856 7.856 8.677 -0.821 25700 7731 1 14 . 1 1 56 56 ALA N N 56 130.280 130.280 127.888 2.392 25700 7732 1 14 . 1 1 56 56 ALA HA H 56 3.493 3.493 4.391 -0.898 25700 7733 1 14 . 1 1 56 56 ALA C C 56 177.405 177.405 177.574 -0.169 25700 7734 1 14 . 1 1 56 56 ALA CA C 56 54.156 54.156 52.239 1.917 25700 7735 1 14 . 1 1 56 56 ALA CB C 56 18.871 18.871 18.848 0.023 25700 7736 1 14 . 1 1 56 56 ALA H H 56 9.104 9.104 8.366 0.738 25700 7737 1 14 . 1 1 57 57 GLU N N 57 113.081 113.081 119.305 -6.224 25700 7738 1 14 . 1 1 57 57 GLU HA H 57 3.614 3.614 3.780 -0.166 25700 7739 1 14 . 1 1 57 57 GLU C C 57 174.959 174.959 175.315 -0.356 25700 7740 1 14 . 1 1 57 57 GLU CA C 57 58.080 58.080 57.520 0.560 25700 7741 1 14 . 1 1 57 57 GLU CB C 57 27.141 27.141 28.349 -1.208 25700 7742 1 14 . 1 1 57 57 GLU H H 57 9.007 9.007 8.906 0.101 25700 7743 1 14 . 1 1 58 58 GLN N N 58 119.796 119.796 117.495 2.301 25700 7744 1 14 . 1 1 58 58 GLN HA H 58 4.519 4.519 4.646 -0.127 25700 7745 1 14 . 1 1 58 58 GLN C C 58 175.217 175.217 175.098 0.119 25700 7746 1 14 . 1 1 58 58 GLN CA C 58 54.379 54.379 53.637 0.742 25700 7747 1 14 . 1 1 58 58 GLN CB C 58 30.102 30.102 31.475 -1.373 25700 7748 1 14 . 1 1 58 58 GLN H H 58 8.061 8.061 7.612 0.449 25700 7749 1 14 . 1 1 59 59 ARG N N 59 124.810 124.810 123.800 1.010 25700 7750 1 14 . 1 1 59 59 ARG HA H 59 4.286 4.286 4.413 -0.127 25700 7751 1 14 . 1 1 59 59 ARG C C 59 176.396 176.396 175.915 0.481 25700 7752 1 14 . 1 1 59 59 ARG CA C 59 56.810 56.810 55.729 1.081 25700 7753 1 14 . 1 1 59 59 ARG CB C 59 30.906 30.906 30.667 0.239 25700 7754 1 14 . 1 1 59 59 ARG H H 59 8.486 8.486 8.578 -0.092 25700 7755 1 14 . 1 1 60 60 VAL N N 60 127.238 127.238 128.149 -0.911 25700 7756 1 14 . 1 1 60 60 VAL HA H 60 4.319 4.319 4.349 -0.030 25700 7757 1 14 . 1 1 60 60 VAL C C 60 174.543 174.543 174.780 -0.237 25700 7758 1 14 . 1 1 60 60 VAL CA C 60 61.227 61.227 60.804 0.423 25700 7759 1 14 . 1 1 60 60 VAL CB C 60 34.177 34.177 33.913 0.264 25700 7760 1 14 . 1 1 60 60 VAL H H 60 9.033 9.033 9.108 -0.075 25700 7761 1 14 . 1 1 61 61 THR N N 61 120.913 120.913 123.992 -3.079 25700 7762 1 14 . 1 1 61 61 THR HA H 61 5.096 5.096 4.728 0.368 25700 7763 1 14 . 1 1 61 61 THR C C 61 174.645 174.645 173.577 1.068 25700 7764 1 14 . 1 1 61 61 THR CA C 61 60.686 60.686 61.653 -0.967 25700 7765 1 14 . 1 1 61 61 THR CB C 61 69.710 69.710 69.242 0.468 25700 7766 1 14 . 1 1 61 61 THR H H 61 8.340 8.340 8.575 -0.235 25700 7767 1 14 . 1 1 62 62 VAL N N 62 117.650 117.650 125.826 -8.176 25700 7768 1 14 . 1 1 62 62 VAL HA H 62 4.294 4.294 4.153 0.141 25700 7769 1 14 . 1 1 62 62 VAL C C 62 174.530 174.530 175.268 -0.738 25700 7770 1 14 . 1 1 62 62 VAL CA C 62 58.641 58.641 60.889 -2.248 25700 7771 1 14 . 1 1 62 62 VAL CB C 62 34.263 34.263 34.512 -0.249 25700 7772 1 14 . 1 1 62 62 VAL H H 62 8.658 8.658 8.967 -0.309 25700 7773 1 14 . 1 1 63 63 GLY N N 63 107.924 107.924 113.414 -5.490 25700 7774 1 14 . 1 1 63 63 GLY C C 63 172.475 172.475 173.355 -0.880 25700 7775 1 14 . 1 1 63 63 GLY CA C 63 43.668 43.668 44.800 -1.132 25700 7776 1 14 . 1 1 63 63 GLY H H 63 7.857 7.857 8.508 -0.651 25700 7777 1 14 . 1 1 64 64 ASN N N 64 116.073 116.073 118.545 -2.472 25700 7778 1 14 . 1 1 64 64 ASN HA H 64 4.530 4.530 4.581 -0.051 25700 7779 1 14 . 1 1 64 64 ASN C C 64 173.307 173.307 175.355 -2.048 25700 7780 1 14 . 1 1 64 64 ASN CA C 64 55.380 55.380 53.744 1.636 25700 7781 1 14 . 1 1 64 64 ASN CB C 64 39.159 39.159 38.544 0.615 25700 7782 1 14 . 1 1 64 64 ASN H H 64 8.933 8.933 7.940 0.993 25700 7783 1 14 . 1 1 65 65 VAL N N 65 126.612 126.612 122.265 4.347 25700 7784 1 14 . 1 1 65 65 VAL HA H 65 4.238 4.238 4.592 -0.354 25700 7785 1 14 . 1 1 65 65 VAL C C 65 173.538 173.538 174.077 -0.539 25700 7786 1 14 . 1 1 65 65 VAL CA C 65 61.970 61.970 60.182 1.788 25700 7787 1 14 . 1 1 65 65 VAL CB C 65 33.829 33.829 35.790 -1.961 25700 7788 1 14 . 1 1 65 65 VAL H H 65 8.548 8.548 8.362 0.186 25700 7789 1 14 . 1 1 66 66 VAL N N 66 127.886 127.886 124.688 3.198 25700 7790 1 14 . 1 1 66 66 VAL HA H 66 4.990 4.990 4.493 0.497 25700 7791 1 14 . 1 1 66 66 VAL C C 66 175.271 175.271 175.545 -0.274 25700 7792 1 14 . 1 1 66 66 VAL CA C 66 61.360 61.360 61.504 -0.144 25700 7793 1 14 . 1 1 66 66 VAL CB C 66 32.923 32.923 32.672 0.251 25700 7794 1 14 . 1 1 66 66 VAL H H 66 8.364 8.364 8.267 0.097 25700 7795 1 14 . 1 1 67 67 LEU N N 67 126.454 126.454 127.436 -0.982 25700 7796 1 14 . 1 1 67 67 LEU HA H 67 4.955 4.955 4.898 0.057 25700 7797 1 14 . 1 1 67 67 LEU C C 67 176.547 176.547 176.483 0.064 25700 7798 1 14 . 1 1 67 67 LEU CA C 67 52.492 52.492 52.159 0.333 25700 7799 1 14 . 1 1 67 67 LEU CB C 67 46.685 46.685 43.732 2.953 25700 7800 1 14 . 1 1 67 67 LEU H H 67 9.050 9.050 9.067 -0.017 25700 7801 1 14 . 1 1 68 68 ASP N N 68 119.799 119.799 118.836 0.963 25700 7802 1 14 . 1 1 68 68 ASP HA H 68 4.609 4.609 4.599 0.010 25700 7803 1 14 . 1 1 68 68 ASP C C 68 176.247 176.247 175.639 0.608 25700 7804 1 14 . 1 1 68 68 ASP CA C 68 55.492 55.492 53.747 1.745 25700 7805 1 14 . 1 1 68 68 ASP CB C 68 40.566 40.566 41.498 -0.932 25700 7806 1 14 . 1 1 68 68 ASP H H 68 8.722 8.722 8.814 -0.092 25700 7807 1 14 . 1 1 69 69 TYR N N 69 123.398 123.398 124.938 -1.540 25700 7808 1 14 . 1 1 69 69 TYR HA H 69 4.651 4.651 4.690 -0.039 25700 7809 1 14 . 1 1 69 69 TYR C C 69 174.253 174.253 174.200 0.053 25700 7810 1 14 . 1 1 69 69 TYR CA C 69 57.767 57.767 58.230 -0.463 25700 7811 1 14 . 1 1 69 69 TYR CB C 69 40.067 40.067 39.061 1.006 25700 7812 1 14 . 1 1 69 69 TYR H H 69 8.603 8.603 7.804 0.799 25700 7813 1 14 . 1 1 70 70 SER N N 70 121.308 121.308 122.770 -1.462 25700 7814 1 14 . 1 1 70 70 SER HA H 70 4.059 4.059 4.178 -0.119 25700 7815 1 14 . 1 1 70 70 SER C C 70 174.851 174.851 174.156 0.695 25700 7816 1 14 . 1 1 70 70 SER CA C 70 56.341 56.341 56.582 -0.241 25700 7817 1 14 . 1 1 70 70 SER CB C 70 64.634 64.634 65.495 -0.861 25700 7818 1 14 . 1 1 70 70 SER H H 70 6.749 6.749 8.184 -1.435 25700 7819 1 14 . 1 1 71 71 SER N N 71 122.764 122.764 119.047 3.717 25700 7820 1 14 . 1 1 71 71 SER HA H 71 4.221 4.221 4.219 0.002 25700 7821 1 14 . 1 1 71 71 SER C C 71 174.098 174.098 174.690 -0.592 25700 7822 1 14 . 1 1 71 71 SER CA C 71 60.326 60.326 59.855 0.471 25700 7823 1 14 . 1 1 71 71 SER CB C 71 62.814 62.814 62.919 -0.105 25700 7824 1 14 . 1 1 71 71 SER H H 71 8.907 8.907 8.251 0.656 25700 7825 1 14 . 1 1 72 72 ALA N N 72 122.199 122.199 120.485 1.714 25700 7826 1 14 . 1 1 72 72 ALA HA H 72 4.320 4.320 4.422 -0.102 25700 7827 1 14 . 1 1 72 72 ALA C C 72 177.749 177.749 176.575 1.174 25700 7828 1 14 . 1 1 72 72 ALA CA C 72 52.283 52.283 51.299 0.984 25700 7829 1 14 . 1 1 72 72 ALA CB C 72 18.950 18.950 18.660 0.290 25700 7830 1 14 . 1 1 72 72 ALA H H 72 7.869 7.869 7.708 0.161 25700 7831 1 14 . 1 1 73 73 ASN N N 73 116.297 116.297 118.099 -1.802 25700 7832 1 14 . 1 1 73 73 ASN HA H 73 5.076 5.076 4.508 0.568 25700 7833 1 14 . 1 1 73 73 ASN C C 73 173.794 173.794 174.489 -0.695 25700 7834 1 14 . 1 1 73 73 ASN CA C 73 51.612 51.612 52.305 -0.693 25700 7835 1 14 . 1 1 73 73 ASN CB C 73 40.647 40.647 39.386 1.261 25700 7836 1 14 . 1 1 73 73 ASN H H 73 7.265 7.265 7.563 -0.298 25700 7837 1 14 . 1 1 74 74 ARG N N 74 118.937 118.937 124.626 -5.689 25700 7838 1 14 . 1 1 74 74 ARG HA H 74 4.684 4.684 4.298 0.386 25700 7839 1 14 . 1 1 74 74 ARG C C 74 174.943 174.943 174.362 0.581 25700 7840 1 14 . 1 1 74 74 ARG CA C 74 54.523 54.523 54.553 -0.030 25700 7841 1 14 . 1 1 74 74 ARG CB C 74 32.331 32.331 29.103 3.228 25700 7842 1 14 . 1 1 74 74 ARG H H 74 8.529 8.529 7.974 0.555 25700 7843 1 14 . 1 1 75 75 TYR N N 75 122.282 122.282 124.480 -2.198 25700 7844 1 14 . 1 1 75 75 TYR HA H 75 5.159 5.159 5.328 -0.169 25700 7845 1 14 . 1 1 75 75 TYR C C 75 173.593 173.593 174.098 -0.505 25700 7846 1 14 . 1 1 75 75 TYR CA C 75 57.080 57.080 56.382 0.698 25700 7847 1 14 . 1 1 75 75 TYR CB C 75 41.202 41.202 40.661 0.541 25700 7848 1 14 . 1 1 75 75 TYR H H 75 8.691 8.691 8.020 0.671 25700 7849 1 14 . 1 1 76 76 ALA N N 76 122.606 122.606 124.749 -2.143 25700 7850 1 14 . 1 1 76 76 ALA HA H 76 4.788 4.788 4.873 -0.085 25700 7851 1 14 . 1 1 76 76 ALA C C 76 175.765 175.765 174.773 0.992 25700 7852 1 14 . 1 1 76 76 ALA CA C 76 50.543 50.543 49.955 0.588 25700 7853 1 14 . 1 1 76 76 ALA CB C 76 23.070 23.070 22.977 0.093 25700 7854 1 14 . 1 1 76 76 ALA H H 76 8.688 8.688 9.282 -0.594 25700 7855 1 14 . 1 1 77 77 ALA N N 77 119.325 119.325 120.615 -1.290 25700 7856 1 14 . 1 1 77 77 ALA HA H 77 5.488 5.488 5.423 0.065 25700 7857 1 14 . 1 1 77 77 ALA C C 77 174.473 174.473 175.422 -0.949 25700 7858 1 14 . 1 1 77 77 ALA CA C 77 51.813 51.813 50.998 0.815 25700 7859 1 14 . 1 1 77 77 ALA CB C 77 24.137 24.137 22.936 1.201 25700 7860 1 14 . 1 1 77 77 ALA H H 77 8.584 8.584 8.149 0.435 25700 7861 1 14 . 1 1 78 78 ARG N N 78 122.822 122.822 119.249 3.573 25700 7862 1 14 . 1 1 78 78 ARG HA H 78 4.938 4.938 5.499 -0.561 25700 7863 1 14 . 1 1 78 78 ARG C C 78 173.170 173.170 173.878 -0.708 25700 7864 1 14 . 1 1 78 78 ARG CA C 78 54.890 54.890 55.079 -0.189 25700 7865 1 14 . 1 1 78 78 ARG CB C 78 34.467 34.467 33.042 1.425 25700 7866 1 14 . 1 1 78 78 ARG H H 78 8.807 8.807 9.118 -0.311 25700 7867 1 14 . 1 1 79 79 LEU N N 79 130.548 130.548 125.703 4.845 25700 7868 1 14 . 1 1 79 79 LEU HA H 79 5.440 5.440 5.334 0.106 25700 7869 1 14 . 1 1 79 79 LEU C C 79 173.434 173.434 174.280 -0.846 25700 7870 1 14 . 1 1 79 79 LEU CA C 79 53.186 53.186 53.447 -0.261 25700 7871 1 14 . 1 1 79 79 LEU CB C 79 45.369 45.369 46.239 -0.870 25700 7872 1 14 . 1 1 79 79 LEU H H 79 9.055 9.055 8.819 0.236 25700 7873 1 14 . 1 1 80 80 ASP N N 80 125.928 125.928 127.055 -1.127 25700 7874 1 14 . 1 1 80 80 ASP HA H 80 5.480 5.480 5.401 0.079 25700 7875 1 14 . 1 1 80 80 ASP C C 80 175.805 175.805 174.948 0.857 25700 7876 1 14 . 1 1 80 80 ASP CA C 80 53.794 53.794 52.613 1.181 25700 7877 1 14 . 1 1 80 80 ASP CB C 80 44.119 44.119 43.541 0.578 25700 7878 1 14 . 1 1 80 80 ASP H H 80 9.251 9.251 9.114 0.137 25700 7879 1 14 . 1 1 81 81 VAL N N 81 123.295 123.295 127.349 -4.054 25700 7880 1 14 . 1 1 81 81 VAL HA H 81 4.843 4.843 4.452 0.391 25700 7881 1 14 . 1 1 81 81 VAL C C 81 174.136 174.136 174.515 -0.379 25700 7882 1 14 . 1 1 81 81 VAL CA C 81 61.438 61.438 61.582 -0.144 25700 7883 1 14 . 1 1 81 81 VAL CB C 81 35.299 35.299 32.778 2.521 25700 7884 1 14 . 1 1 81 81 VAL H H 81 8.947 8.947 8.820 0.127 25700 7885 1 14 . 1 1 82 82 SER N N 82 122.698 122.698 123.340 -0.642 25700 7886 1 14 . 1 1 82 82 SER HA H 82 5.380 5.380 5.357 0.023 25700 7887 1 14 . 1 1 82 82 SER C C 82 173.016 173.016 173.529 -0.513 25700 7888 1 14 . 1 1 82 82 SER CA C 82 57.195 57.195 56.906 0.289 25700 7889 1 14 . 1 1 82 82 SER CB C 82 64.477 64.477 64.313 0.164 25700 7890 1 14 . 1 1 82 82 SER H H 82 9.026 9.026 8.786 0.240 25700 7891 1 14 . 1 1 83 83 PHE N N 83 127.305 127.305 127.139 0.166 25700 7892 1 14 . 1 1 83 83 PHE HA H 83 4.781 4.781 4.868 -0.087 25700 7893 1 14 . 1 1 83 83 PHE C C 83 174.741 174.741 175.290 -0.549 25700 7894 1 14 . 1 1 83 83 PHE CA C 83 57.376 57.376 57.339 0.037 25700 7895 1 14 . 1 1 83 83 PHE CB C 83 42.094 42.094 40.575 1.519 25700 7896 1 14 . 1 1 83 83 PHE H H 83 9.012 9.012 8.785 0.227 25700 7897 1 14 . 1 1 84 84 GLY N N 84 117.337 117.337 116.592 0.745 25700 7898 1 14 . 1 1 84 84 GLY C C 84 175.295 175.295 175.153 0.142 25700 7899 1 14 . 1 1 84 84 GLY CA C 84 47.086 47.086 46.507 0.579 25700 7900 1 14 . 1 1 84 84 GLY H H 84 8.784 8.784 8.531 0.253 25700 7901 1 14 . 1 1 85 85 SER N N 85 120.553 120.553 119.772 0.781 25700 7902 1 14 . 1 1 85 85 SER HA H 85 4.383 4.383 4.423 -0.040 25700 7903 1 14 . 1 1 85 85 SER C C 85 173.796 173.796 174.665 -0.869 25700 7904 1 14 . 1 1 85 85 SER CA C 85 59.095 59.095 58.288 0.807 25700 7905 1 14 . 1 1 85 85 SER CB C 85 63.360 63.360 64.121 -0.761 25700 7906 1 14 . 1 1 85 85 SER H H 85 8.687 8.687 8.389 0.298 25700 7907 1 14 . 1 1 86 86 VAL N N 86 121.297 121.297 123.156 -1.859 25700 7908 1 14 . 1 1 86 86 VAL HA H 86 4.504 4.504 4.213 0.291 25700 7909 1 14 . 1 1 86 86 VAL C C 86 174.888 174.888 174.128 0.760 25700 7910 1 14 . 1 1 86 86 VAL CA C 86 61.610 61.610 62.009 -0.399 25700 7911 1 14 . 1 1 86 86 VAL CB C 86 34.210 34.210 33.597 0.613 25700 7912 1 14 . 1 1 86 86 VAL H H 86 7.963 7.963 7.467 0.496 25700 7913 1 14 . 1 1 87 87 THR N N 87 119.631 119.631 124.387 -4.756 25700 7914 1 14 . 1 1 87 87 THR HA H 87 5.551 5.551 5.320 0.231 25700 7915 1 14 . 1 1 87 87 THR C C 87 174.271 174.271 173.390 0.881 25700 7916 1 14 . 1 1 87 87 THR CA C 87 60.550 60.550 61.969 -1.419 25700 7917 1 14 . 1 1 87 87 THR CB C 87 71.350 71.350 69.613 1.737 25700 7918 1 14 . 1 1 87 87 THR H H 87 8.302 8.302 8.406 -0.104 25700 7919 1 14 . 1 1 88 88 ILE N N 88 118.811 118.811 121.269 -2.458 25700 7920 1 14 . 1 1 88 88 ILE HA H 88 4.858 4.858 4.746 0.112 25700 7921 1 14 . 1 1 88 88 ILE C C 88 174.300 174.300 173.174 1.126 25700 7922 1 14 . 1 1 88 88 ILE CA C 88 59.380 59.380 59.593 -0.213 25700 7923 1 14 . 1 1 88 88 ILE CB C 88 43.170 43.170 41.623 1.547 25700 7924 1 14 . 1 1 88 88 ILE H H 88 8.986 8.986 8.634 0.352 25700 7925 1 14 . 1 1 89 89 GLN N N 89 120.806 120.806 119.295 1.511 25700 7926 1 14 . 1 1 89 89 GLN HA H 89 5.814 5.814 5.637 0.177 25700 7927 1 14 . 1 1 89 89 GLN C C 89 175.021 175.021 174.485 0.536 25700 7928 1 14 . 1 1 89 89 GLN CA C 89 54.171 54.171 54.444 -0.273 25700 7929 1 14 . 1 1 89 89 GLN CB C 89 34.262 34.262 32.510 1.752 25700 7930 1 14 . 1 1 89 89 GLN H H 89 8.481 8.481 7.992 0.489 25700 7931 1 14 . 1 1 90 90 CYS N N 90 118.531 118.531 115.578 2.953 25700 7932 1 14 . 1 1 90 90 CYS HA H 90 5.010 5.010 4.875 0.135 25700 7933 1 14 . 1 1 90 90 CYS C C 90 172.402 172.402 172.571 -0.169 25700 7934 1 14 . 1 1 90 90 CYS CA C 90 54.874 54.874 57.529 -2.655 25700 7935 1 14 . 1 1 90 90 CYS CB C 90 50.267 50.267 30.819 19.448 25700 7936 1 14 . 1 1 90 90 CYS H H 90 9.151 9.151 8.715 0.436 25700 7937 1 14 . 1 1 91 91 ASN N N 91 116.449 116.449 118.285 -1.836 25700 7938 1 14 . 1 1 91 91 ASN HA H 91 5.615 5.615 5.510 0.105 25700 7939 1 14 . 1 1 91 91 ASN C C 91 174.994 174.994 174.003 0.991 25700 7940 1 14 . 1 1 91 91 ASN CA C 91 52.484 52.484 52.951 -0.467 25700 7941 1 14 . 1 1 91 91 ASN CB C 91 43.331 43.331 41.367 1.964 25700 7942 1 14 . 1 1 91 91 ASN H H 91 8.791 8.791 8.460 0.331 25700 7943 1 14 . 1 1 92 92 LEU N N 92 123.391 123.391 124.856 -1.465 25700 7944 1 14 . 1 1 92 92 LEU HA H 92 4.286 4.286 4.380 -0.094 25700 7945 1 14 . 1 1 92 92 LEU C C 92 176.188 176.188 176.262 -0.074 25700 7946 1 14 . 1 1 92 92 LEU CA C 92 54.863 54.863 54.884 -0.021 25700 7947 1 14 . 1 1 92 92 LEU CB C 92 45.064 45.064 43.331 1.733 25700 7948 1 14 . 1 1 92 92 LEU H H 92 8.597 8.597 8.653 -0.056 25700 7949 1 14 . 1 1 93 93 ASP N N 93 129.020 129.020 127.398 1.622 25700 7950 1 14 . 1 1 93 93 ASP HA H 93 5.160 5.160 4.870 0.290 25700 7951 1 14 . 1 1 93 93 ASP C C 93 175.761 175.761 175.580 0.181 25700 7952 1 14 . 1 1 93 93 ASP CA C 93 50.948 50.948 51.038 -0.090 25700 7953 1 14 . 1 1 93 93 ASP CB C 93 41.136 41.136 42.104 -0.968 25700 7954 1 14 . 1 1 93 93 ASP H H 93 9.146 9.146 8.558 0.588 25700 7955 1 14 . 1 1 94 94 PRO HA H 94 4.304 4.304 4.578 -0.274 25700 7956 1 14 . 1 1 94 94 PRO C C 94 178.637 178.637 178.469 0.168 25700 7957 1 14 . 1 1 94 94 PRO CA C 94 64.830 64.830 64.729 0.101 25700 7958 1 14 . 1 1 94 94 PRO CB C 94 32.579 32.579 32.095 0.484 25700 7959 1 14 . 1 1 95 95 GLU N N 95 116.747 116.747 116.127 0.620 25700 7960 1 14 . 1 1 95 95 GLU HA H 95 4.223 4.223 4.171 0.052 25700 7961 1 14 . 1 1 95 95 GLU C C 95 177.994 177.994 176.400 1.594 25700 7962 1 14 . 1 1 95 95 GLU CA C 95 57.773 57.773 57.466 0.307 25700 7963 1 14 . 1 1 95 95 GLU CB C 95 29.084 29.084 29.121 -0.037 25700 7964 1 14 . 1 1 95 95 GLU H H 95 8.358 8.358 8.073 0.285 25700 7965 1 14 . 1 1 96 96 THR N N 96 109.182 109.182 108.466 0.716 25700 7966 1 14 . 1 1 96 96 THR HA H 96 4.169 4.169 4.466 -0.297 25700 7967 1 14 . 1 1 96 96 THR C C 96 175.238 175.238 175.933 -0.695 25700 7968 1 14 . 1 1 96 96 THR CA C 96 63.038 63.038 62.334 0.703 25700 7969 1 14 . 1 1 96 96 THR CB C 96 69.640 69.640 69.764 -0.124 25700 7970 1 14 . 1 1 96 96 THR H H 96 7.951 7.951 7.903 0.048 25700 7971 1 14 . 1 1 97 97 VAL N N 97 121.118 121.118 122.305 -1.187 25700 7972 1 14 . 1 1 97 97 VAL HA H 97 3.770 3.770 3.881 -0.111 25700 7973 1 14 . 1 1 97 97 VAL C C 97 174.851 174.851 176.488 -1.637 25700 7974 1 14 . 1 1 97 97 VAL CA C 97 63.272 63.272 64.917 -1.645 25700 7975 1 14 . 1 1 97 97 VAL CB C 97 30.627 30.627 31.727 -1.100 25700 7976 1 14 . 1 1 97 97 VAL H H 97 7.175 7.175 7.501 -0.326 25700 7977 1 14 . 1 1 98 98 LYS N N 98 123.245 123.245 120.179 3.066 25700 7978 1 14 . 1 1 98 98 LYS HA H 98 4.385 4.385 4.397 -0.012 25700 7979 1 14 . 1 1 98 98 LYS C C 98 175.612 175.612 176.788 -1.176 25700 7980 1 14 . 1 1 98 98 LYS CA C 98 55.812 55.812 56.067 -0.255 25700 7981 1 14 . 1 1 98 98 LYS CB C 98 33.804 33.804 30.217 3.587 25700 7982 1 14 . 1 1 98 98 LYS H H 98 7.712 7.712 8.106 -0.394 25700 7983 1 14 . 1 1 99 99 LEU N N 99 122.457 122.457 118.269 4.188 25700 7984 1 14 . 1 1 99 99 LEU HA H 99 4.123 4.123 3.828 0.295 25700 7985 1 14 . 1 1 99 99 LEU C C 99 177.160 177.160 176.189 0.971 25700 7986 1 14 . 1 1 99 99 LEU CA C 99 55.309 55.309 57.856 -2.547 25700 7987 1 14 . 1 1 99 99 LEU CB C 99 42.319 42.319 40.529 1.790 25700 7988 1 14 . 1 1 99 99 LEU H H 99 8.110 8.110 9.125 -1.015 25700 7989 1 14 . 1 1 100 100 GLU N N 100 120.800 120.800 117.771 3.029 25700 7990 1 14 . 1 1 100 100 GLU HA H 100 4.151 4.151 4.483 -0.332 25700 7991 1 14 . 1 1 100 100 GLU C C 100 176.070 176.070 174.946 1.124 25700 7992 1 14 . 1 1 100 100 GLU CA C 100 56.740 56.740 55.560 1.180 25700 7993 1 14 . 1 1 100 100 GLU CB C 100 30.060 30.060 32.393 -2.333 25700 7994 1 14 . 1 1 100 100 GLU H H 100 8.340 8.340 8.209 0.131 25700 7995 1 15 . 1 1 2 2 VAL N N 2 123.080 123.080 125.995 -2.915 25700 7996 1 15 . 1 1 2 2 VAL HA H 2 4.678 4.678 4.234 0.444 25700 7997 1 15 . 1 1 2 2 VAL C C 2 171.871 171.871 175.011 -3.140 25700 7998 1 15 . 1 1 2 2 VAL CA C 2 59.500 59.500 61.746 -2.246 25700 7999 1 15 . 1 1 2 2 VAL CB C 2 34.185 34.185 33.026 1.159 25700 8000 1 15 . 1 1 2 2 VAL H H 2 8.041 8.041 8.668 -0.627 25700 8001 1 15 . 1 1 3 3 GLN N N 3 123.080 123.080 122.079 1.001 25700 8002 1 15 . 1 1 3 3 GLN HA H 3 4.660 4.660 4.721 -0.061 25700 8003 1 15 . 1 1 3 3 GLN CA C 3 54.109 54.109 53.703 0.406 25700 8004 1 15 . 1 1 3 3 GLN CB C 3 33.338 33.338 33.203 0.135 25700 8005 1 15 . 1 1 3 3 GLN H H 3 8.126 8.126 8.944 -0.818 25700 8006 1 15 . 1 1 4 4 CYS N N 4 115.260 115.260 117.435 -2.175 25700 8007 1 15 . 1 1 4 4 CYS HA H 4 5.676 5.676 5.316 0.360 25700 8008 1 15 . 1 1 4 4 CYS C C 4 171.720 171.720 172.832 -1.112 25700 8009 1 15 . 1 1 4 4 CYS CA C 4 53.402 53.402 56.951 -3.549 25700 8010 1 15 . 1 1 4 4 CYS CB C 4 45.525 45.525 30.761 14.764 25700 8011 1 15 . 1 1 4 4 CYS H H 4 8.909 8.909 8.519 0.390 25700 8012 1 15 . 1 1 5 5 GLU N N 5 117.764 117.764 121.124 -3.360 25700 8013 1 15 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.754 -0.275 25700 8014 1 15 . 1 1 5 5 GLU C C 5 174.088 174.088 174.629 -0.541 25700 8015 1 15 . 1 1 5 5 GLU CA C 5 54.838 54.838 54.340 0.498 25700 8016 1 15 . 1 1 5 5 GLU CB C 5 34.155 34.155 34.108 0.047 25700 8017 1 15 . 1 1 5 5 GLU H H 5 8.580 8.580 8.987 -0.407 25700 8018 1 15 . 1 1 6 6 VAL N N 6 120.471 120.471 114.841 5.630 25700 8019 1 15 . 1 1 6 6 VAL HA H 6 4.427 4.427 4.461 -0.034 25700 8020 1 15 . 1 1 6 6 VAL C C 6 174.211 174.211 174.775 -0.564 25700 8021 1 15 . 1 1 6 6 VAL CA C 6 61.540 61.540 59.815 1.725 25700 8022 1 15 . 1 1 6 6 VAL CB C 6 32.618 32.618 34.654 -2.036 25700 8023 1 15 . 1 1 6 6 VAL H H 6 8.588 8.588 8.274 0.314 25700 8024 1 15 . 1 1 7 7 GLU N N 7 125.816 125.816 123.739 2.077 25700 8025 1 15 . 1 1 7 7 GLU HA H 7 4.548 4.548 4.785 -0.237 25700 8026 1 15 . 1 1 7 7 GLU C C 7 174.194 174.194 174.577 -0.383 25700 8027 1 15 . 1 1 7 7 GLU CA C 7 54.524 54.524 54.609 -0.085 25700 8028 1 15 . 1 1 7 7 GLU CB C 7 33.291 33.291 34.631 -1.340 25700 8029 1 15 . 1 1 7 7 GLU H H 7 8.820 8.820 8.995 -0.175 25700 8030 1 15 . 1 1 8 8 ALA N N 8 122.882 122.882 123.874 -0.992 25700 8031 1 15 . 1 1 8 8 ALA HA H 8 5.238 5.238 4.682 0.556 25700 8032 1 15 . 1 1 8 8 ALA C C 8 175.557 175.557 175.662 -0.105 25700 8033 1 15 . 1 1 8 8 ALA CA C 8 49.950 49.950 51.092 -1.142 25700 8034 1 15 . 1 1 8 8 ALA CB C 8 22.730 22.730 21.228 1.502 25700 8035 1 15 . 1 1 8 8 ALA H H 8 8.410 8.410 8.572 -0.162 25700 8036 1 15 . 1 1 9 9 ALA N N 9 124.110 124.110 128.567 -4.457 25700 8037 1 15 . 1 1 9 9 ALA HA H 9 4.691 4.691 4.725 -0.034 25700 8038 1 15 . 1 1 9 9 ALA C C 9 176.300 176.300 175.696 0.604 25700 8039 1 15 . 1 1 9 9 ALA CA C 9 50.825 50.825 50.437 0.388 25700 8040 1 15 . 1 1 9 9 ALA CB C 9 21.240 21.240 20.189 1.051 25700 8041 1 15 . 1 1 9 9 ALA H H 9 8.407 8.407 9.104 -0.697 25700 8042 1 15 . 1 1 10 10 VAL N N 10 126.780 126.780 126.019 0.761 25700 8043 1 15 . 1 1 10 10 VAL HA H 10 4.379 4.379 3.825 0.554 25700 8044 1 15 . 1 1 10 10 VAL C C 10 175.717 175.717 175.468 0.249 25700 8045 1 15 . 1 1 10 10 VAL CA C 10 61.580 61.580 63.331 -1.750 25700 8046 1 15 . 1 1 10 10 VAL CB C 10 32.209 32.209 31.761 0.449 25700 8047 1 15 . 1 1 10 10 VAL H H 10 8.860 8.860 8.531 0.329 25700 8048 1 15 . 1 1 11 11 SER N N 11 120.868 120.868 123.431 -2.563 25700 8049 1 15 . 1 1 11 11 SER HA H 11 4.448 4.448 4.541 -0.093 25700 8050 1 15 . 1 1 11 11 SER C C 11 175.498 175.498 174.019 1.479 25700 8051 1 15 . 1 1 11 11 SER CA C 11 57.590 57.590 56.358 1.232 25700 8052 1 15 . 1 1 11 11 SER CB C 11 64.000 64.000 64.766 -0.766 25700 8053 1 15 . 1 1 11 11 SER H H 11 8.478 8.478 8.638 -0.160 25700 8054 1 15 . 1 1 12 12 GLY N N 12 116.896 116.896 108.559 8.337 25700 8055 1 15 . 1 1 12 12 GLY C C 12 174.994 174.994 174.677 0.317 25700 8056 1 15 . 1 1 12 12 GLY CA C 12 47.515 47.515 46.098 1.417 25700 8057 1 15 . 1 1 12 12 GLY H H 12 9.120 9.120 8.464 0.656 25700 8058 1 15 . 1 1 13 13 GLY N N 13 108.984 108.984 113.129 -4.145 25700 8059 1 15 . 1 1 13 13 GLY C C 13 174.440 174.440 173.547 0.893 25700 8060 1 15 . 1 1 13 13 GLY CA C 13 45.383 45.383 45.495 -0.112 25700 8061 1 15 . 1 1 13 13 GLY H H 13 8.816 8.816 8.323 0.493 25700 8062 1 15 . 1 1 14 14 HIS N N 14 118.737 118.737 116.796 1.941 25700 8063 1 15 . 1 1 14 14 HIS HA H 14 5.458 5.458 5.442 0.016 25700 8064 1 15 . 1 1 14 14 HIS C C 14 172.243 172.243 172.824 -0.581 25700 8065 1 15 . 1 1 14 14 HIS CA C 14 54.905 54.905 54.002 0.903 25700 8066 1 15 . 1 1 14 14 HIS CB C 14 32.311 32.311 32.317 -0.006 25700 8067 1 15 . 1 1 14 14 HIS H H 14 8.084 8.084 7.424 0.660 25700 8068 1 15 . 1 1 15 15 VAL N N 15 120.204 120.204 125.414 -5.210 25700 8069 1 15 . 1 1 15 15 VAL HA H 15 4.932 4.932 4.603 0.329 25700 8070 1 15 . 1 1 15 15 VAL C C 15 172.314 172.314 174.504 -2.190 25700 8071 1 15 . 1 1 15 15 VAL CA C 15 58.540 58.540 59.752 -1.212 25700 8072 1 15 . 1 1 15 15 VAL CB C 15 34.285 34.285 33.608 0.677 25700 8073 1 15 . 1 1 15 15 VAL H H 15 9.369 9.369 8.900 0.469 25700 8074 1 15 . 1 1 16 16 THR N N 16 123.685 123.685 126.751 -3.066 25700 8075 1 15 . 1 1 16 16 THR HA H 16 5.220 5.220 4.692 0.528 25700 8076 1 15 . 1 1 16 16 THR C C 16 174.478 174.478 172.932 1.546 25700 8077 1 15 . 1 1 16 16 THR CA C 16 61.481 61.481 62.561 -1.080 25700 8078 1 15 . 1 1 16 16 THR CB C 16 70.017 70.017 69.309 0.708 25700 8079 1 15 . 1 1 16 16 THR H H 16 8.604 8.604 9.182 -0.579 25700 8080 1 15 . 1 1 17 17 LEU N N 17 128.958 128.958 129.374 -0.416 25700 8081 1 15 . 1 1 17 17 LEU HA H 17 5.407 5.407 4.826 0.581 25700 8082 1 15 . 1 1 17 17 LEU C C 17 174.481 174.481 174.377 0.104 25700 8083 1 15 . 1 1 17 17 LEU CA C 17 53.999 53.999 53.968 0.031 25700 8084 1 15 . 1 1 17 17 LEU CB C 17 44.108 44.108 45.291 -1.183 25700 8085 1 15 . 1 1 17 17 LEU H H 17 9.627 9.627 9.309 0.318 25700 8086 1 15 . 1 1 18 18 GLN N N 18 115.227 115.227 121.604 -6.377 25700 8087 1 15 . 1 1 18 18 GLN HA H 18 4.465 4.465 5.563 -1.098 25700 8088 1 15 . 1 1 18 18 GLN C C 18 174.042 174.042 174.937 -0.895 25700 8089 1 15 . 1 1 18 18 GLN CA C 18 53.725 53.725 54.100 -0.375 25700 8090 1 15 . 1 1 18 18 GLN CB C 18 31.767 31.767 33.859 -2.092 25700 8091 1 15 . 1 1 18 18 GLN H H 18 8.243 8.243 9.018 -0.774 25700 8092 1 15 . 1 1 19 19 GLY N N 19 107.795 107.795 107.245 0.550 25700 8093 1 15 . 1 1 19 19 GLY C C 19 172.005 172.005 172.298 -0.293 25700 8094 1 15 . 1 1 19 19 GLY CA C 19 44.485 44.485 43.878 0.607 25700 8095 1 15 . 1 1 19 19 GLY H H 19 9.100 9.100 8.929 0.171 25700 8096 1 15 . 1 1 20 20 VAL N N 20 120.951 120.951 127.500 -6.549 25700 8097 1 15 . 1 1 20 20 VAL HA H 20 4.634 4.634 4.108 0.526 25700 8098 1 15 . 1 1 20 20 VAL C C 20 175.670 175.670 175.020 0.650 25700 8099 1 15 . 1 1 20 20 VAL CA C 20 61.380 61.380 62.141 -0.761 25700 8100 1 15 . 1 1 20 20 VAL CB C 20 33.990 33.990 32.797 1.193 25700 8101 1 15 . 1 1 20 20 VAL H H 20 8.859 8.859 8.653 0.206 25700 8102 1 15 . 1 1 21 21 ILE N N 21 129.511 129.511 130.343 -0.832 25700 8103 1 15 . 1 1 21 21 ILE HA H 21 4.443 4.443 4.564 -0.121 25700 8104 1 15 . 1 1 21 21 ILE C C 21 174.567 174.567 175.594 -1.027 25700 8105 1 15 . 1 1 21 21 ILE CA C 21 59.883 59.883 60.031 -0.147 25700 8106 1 15 . 1 1 21 21 ILE CB C 21 41.152 41.152 39.101 2.051 25700 8107 1 15 . 1 1 21 21 ILE H H 21 9.304 9.304 9.211 0.093 25700 8108 1 15 . 1 1 22 22 THR N N 22 120.311 120.311 125.422 -5.111 25700 8109 1 15 . 1 1 22 22 THR HA H 22 4.479 4.479 4.909 -0.430 25700 8110 1 15 . 1 1 22 22 THR C C 22 172.996 172.996 173.442 -0.446 25700 8111 1 15 . 1 1 22 22 THR CA C 22 61.647 61.647 62.716 -1.069 25700 8112 1 15 . 1 1 22 22 THR CB C 22 70.230 70.230 69.574 0.656 25700 8113 1 15 . 1 1 22 22 THR H H 22 8.063 8.063 8.606 -0.543 25700 8114 1 15 . 1 1 23 23 ALA N N 23 104.959 104.959 129.310 -24.351 25700 8115 1 15 . 1 1 23 23 ALA HA H 23 5.056 5.056 4.770 0.286 25700 8116 1 15 . 1 1 23 23 ALA C C 23 177.722 177.722 177.238 0.484 25700 8117 1 15 . 1 1 23 23 ALA CA C 23 49.963 49.963 50.240 -0.277 25700 8118 1 15 . 1 1 23 23 ALA CB C 23 22.915 22.915 21.395 1.520 25700 8119 1 15 . 1 1 23 23 ALA H H 23 9.764 9.764 8.766 0.998 25700 8120 1 15 . 1 1 24 24 VAL N N 24 113.370 113.370 122.482 -9.112 25700 8121 1 15 . 1 1 24 24 VAL HA H 24 4.083 4.083 3.958 0.125 25700 8122 1 15 . 1 1 24 24 VAL C C 24 174.539 174.539 175.183 -0.644 25700 8123 1 15 . 1 1 24 24 VAL CA C 24 62.339 62.339 63.925 -1.586 25700 8124 1 15 . 1 1 24 24 VAL CB C 24 31.933 31.933 31.510 0.423 25700 8125 1 15 . 1 1 24 24 VAL H H 24 8.239 8.239 8.378 -0.139 25700 8126 1 15 . 1 1 25 25 ARG N N 25 116.002 116.002 118.406 -2.404 25700 8127 1 15 . 1 1 25 25 ARG HA H 25 4.740 4.740 4.520 0.220 25700 8128 1 15 . 1 1 25 25 ARG C C 25 172.797 172.797 174.443 -1.646 25700 8129 1 15 . 1 1 25 25 ARG CA C 25 53.284 53.284 53.941 -0.657 25700 8130 1 15 . 1 1 25 25 ARG CB C 25 33.542 33.542 33.024 0.518 25700 8131 1 15 . 1 1 25 25 ARG H H 25 7.308 7.308 7.755 -0.447 25700 8132 1 15 . 1 1 26 26 ASP N N 26 118.075 118.075 122.884 -4.809 25700 8133 1 15 . 1 1 26 26 ASP HA H 26 4.665 4.665 4.689 -0.024 25700 8134 1 15 . 1 1 26 26 ASP C C 26 177.721 177.721 176.380 1.341 25700 8135 1 15 . 1 1 26 26 ASP CA C 26 53.911 53.911 55.057 -1.146 25700 8136 1 15 . 1 1 26 26 ASP CB C 26 41.143 41.143 41.081 0.062 25700 8137 1 15 . 1 1 26 26 ASP H H 26 8.301 8.301 8.437 -0.136 25700 8138 1 15 . 1 1 27 27 GLY N N 27 106.966 106.966 111.232 -4.266 25700 8139 1 15 . 1 1 27 27 GLY C C 27 170.472 170.472 172.042 -1.570 25700 8140 1 15 . 1 1 27 27 GLY CA C 27 46.213 46.213 45.790 0.423 25700 8141 1 15 . 1 1 27 27 GLY H H 27 8.276 8.276 8.757 -0.481 25700 8142 1 15 . 1 1 28 28 ALA N N 28 122.805 122.805 122.405 0.400 25700 8143 1 15 . 1 1 28 28 ALA HA H 28 4.898 4.898 5.102 -0.204 25700 8144 1 15 . 1 1 28 28 ALA C C 28 176.720 176.720 175.472 1.248 25700 8145 1 15 . 1 1 28 28 ALA CA C 28 50.756 50.756 50.882 -0.126 25700 8146 1 15 . 1 1 28 28 ALA CB C 28 21.482 21.482 21.476 0.007 25700 8147 1 15 . 1 1 28 28 ALA H H 28 8.065 8.065 8.196 -0.131 25700 8148 1 15 . 1 1 29 29 GLY N N 29 106.538 106.538 107.189 -0.651 25700 8149 1 15 . 1 1 29 29 GLY C C 29 172.866 172.866 170.803 2.063 25700 8150 1 15 . 1 1 29 29 GLY CA C 29 45.538 45.538 43.089 2.449 25700 8151 1 15 . 1 1 29 29 GLY H H 29 7.654 7.654 8.649 -0.995 25700 8152 1 15 . 1 1 30 30 SER N N 30 116.216 116.216 112.973 3.243 25700 8153 1 15 . 1 1 30 30 SER HA H 30 5.564 5.564 4.559 1.005 25700 8154 1 15 . 1 1 30 30 SER C C 30 172.216 172.216 172.527 -0.311 25700 8155 1 15 . 1 1 30 30 SER CA C 30 57.505 57.505 56.648 0.857 25700 8156 1 15 . 1 1 30 30 SER CB C 30 66.321 66.321 65.838 0.483 25700 8157 1 15 . 1 1 30 30 SER H H 30 9.185 9.185 7.632 1.553 25700 8158 1 15 . 1 1 31 31 TYR N N 31 118.467 118.467 116.997 1.470 25700 8159 1 15 . 1 1 31 31 TYR HA H 31 6.035 6.035 5.065 0.970 25700 8160 1 15 . 1 1 31 31 TYR C C 31 174.138 174.138 173.822 0.316 25700 8161 1 15 . 1 1 31 31 TYR CA C 31 55.806 55.806 56.387 -0.581 25700 8162 1 15 . 1 1 31 31 TYR CB C 31 43.091 43.091 41.419 1.672 25700 8163 1 15 . 1 1 31 31 TYR H H 31 9.215 9.215 8.646 0.569 25700 8164 1 15 . 1 1 32 32 LYS N N 32 121.086 121.086 120.150 0.936 25700 8165 1 15 . 1 1 32 32 LYS HA H 32 4.772 4.772 4.943 -0.171 25700 8166 1 15 . 1 1 32 32 LYS C C 32 173.750 173.750 174.314 -0.564 25700 8167 1 15 . 1 1 32 32 LYS CA C 32 56.495 56.495 55.175 1.320 25700 8168 1 15 . 1 1 32 32 LYS CB C 32 35.800 35.800 34.551 1.249 25700 8169 1 15 . 1 1 32 32 LYS H H 32 8.904 8.904 9.358 -0.454 25700 8170 1 15 . 1 1 33 33 LEU N N 33 128.296 128.296 127.262 1.034 25700 8171 1 15 . 1 1 33 33 LEU HA H 33 5.329 5.329 5.167 0.162 25700 8172 1 15 . 1 1 33 33 LEU C C 33 173.389 173.389 174.169 -0.780 25700 8173 1 15 . 1 1 33 33 LEU CA C 33 53.547 53.547 52.855 0.692 25700 8174 1 15 . 1 1 33 33 LEU CB C 33 45.460 45.460 45.012 0.448 25700 8175 1 15 . 1 1 33 33 LEU H H 33 9.663 9.663 8.997 0.666 25700 8176 1 15 . 1 1 34 34 ALA N N 34 129.791 129.791 129.755 0.036 25700 8177 1 15 . 1 1 34 34 ALA HA H 34 5.419 5.419 5.426 -0.007 25700 8178 1 15 . 1 1 34 34 ALA C C 34 176.313 176.313 175.464 0.849 25700 8179 1 15 . 1 1 34 34 ALA CA C 34 50.605 50.605 50.326 0.279 25700 8180 1 15 . 1 1 34 34 ALA CB C 34 21.237 21.237 22.728 -1.491 25700 8181 1 15 . 1 1 34 34 ALA H H 34 9.044 9.044 9.328 -0.284 25700 8182 1 15 . 1 1 35 35 VAL N N 35 124.532 124.532 122.835 1.697 25700 8183 1 15 . 1 1 35 35 VAL HA H 35 4.844 4.844 4.611 0.233 25700 8184 1 15 . 1 1 35 35 VAL C C 35 173.511 173.511 174.508 -0.997 25700 8185 1 15 . 1 1 35 35 VAL CA C 35 61.113 61.113 60.369 0.744 25700 8186 1 15 . 1 1 35 35 VAL CB C 35 35.152 35.152 34.163 0.989 25700 8187 1 15 . 1 1 35 35 VAL H H 35 9.332 9.332 8.946 0.386 25700 8188 1 15 . 1 1 36 36 ASP N N 36 127.077 127.077 126.915 0.162 25700 8189 1 15 . 1 1 36 36 ASP HA H 36 5.560 5.560 5.249 0.311 25700 8190 1 15 . 1 1 36 36 ASP C C 36 174.146 174.146 174.392 -0.246 25700 8191 1 15 . 1 1 36 36 ASP CA C 36 53.219 53.219 53.082 0.137 25700 8192 1 15 . 1 1 36 36 ASP CB C 36 44.387 44.387 43.278 1.109 25700 8193 1 15 . 1 1 36 36 ASP H H 36 9.169 9.169 9.291 -0.122 25700 8194 1 15 . 1 1 37 37 LYS N N 37 122.568 122.568 127.461 -4.893 25700 8195 1 15 . 1 1 37 37 LYS HA H 37 4.673 4.673 5.605 -0.932 25700 8196 1 15 . 1 1 37 37 LYS C C 37 173.710 173.710 174.451 -0.741 25700 8197 1 15 . 1 1 37 37 LYS CA C 37 54.410 54.410 54.469 -0.059 25700 8198 1 15 . 1 1 37 37 LYS CB C 37 34.907 34.907 36.137 -1.230 25700 8199 1 15 . 1 1 37 37 LYS H H 37 8.665 8.665 9.128 -0.463 25700 8200 1 15 . 1 1 38 38 ALA N N 38 130.221 130.221 128.517 1.704 25700 8201 1 15 . 1 1 38 38 ALA HA H 38 4.983 4.983 5.234 -0.251 25700 8202 1 15 . 1 1 38 38 ALA C C 38 176.141 176.141 175.066 1.075 25700 8203 1 15 . 1 1 38 38 ALA CA C 38 51.093 51.093 51.260 -0.167 25700 8204 1 15 . 1 1 38 38 ALA CB C 38 21.778 21.778 22.214 -0.436 25700 8205 1 15 . 1 1 38 38 ALA H H 38 8.798 8.798 9.107 -0.309 25700 8206 1 15 . 1 1 39 39 GLY N N 39 109.328 109.328 109.814 -0.486 25700 8207 1 15 . 1 1 39 39 GLY C C 39 174.208 174.208 174.194 0.014 25700 8208 1 15 . 1 1 39 39 GLY CA C 39 44.645 44.645 44.862 -0.217 25700 8209 1 15 . 1 1 39 39 GLY H H 39 7.851 7.851 8.442 -0.591 25700 8210 1 15 . 1 1 40 40 ALA N N 40 125.088 125.088 122.515 2.573 25700 8211 1 15 . 1 1 40 40 ALA HA H 40 4.051 4.051 4.221 -0.170 25700 8212 1 15 . 1 1 40 40 ALA C C 40 178.917 178.917 178.175 0.742 25700 8213 1 15 . 1 1 40 40 ALA CA C 40 54.841 54.841 54.775 0.066 25700 8214 1 15 . 1 1 40 40 ALA CB C 40 18.293 18.293 18.513 -0.220 25700 8215 1 15 . 1 1 40 40 ALA H H 40 8.766 8.766 8.730 0.036 25700 8216 1 15 . 1 1 41 41 ALA N N 41 117.569 117.569 119.503 -1.934 25700 8217 1 15 . 1 1 41 41 ALA HA H 41 4.419 4.419 4.416 0.003 25700 8218 1 15 . 1 1 41 41 ALA C C 41 177.136 177.136 177.317 -0.181 25700 8219 1 15 . 1 1 41 41 ALA CA C 41 51.929 51.929 51.454 0.475 25700 8220 1 15 . 1 1 41 41 ALA CB C 41 18.774 18.774 18.633 0.141 25700 8221 1 15 . 1 1 41 41 ALA H H 41 8.300 8.300 7.982 0.318 25700 8222 1 15 . 1 1 42 42 GLY N N 42 106.796 106.796 107.540 -0.744 25700 8223 1 15 . 1 1 42 42 GLY C C 42 173.379 173.379 172.626 0.753 25700 8224 1 15 . 1 1 42 42 GLY CA C 42 44.336 44.336 44.295 0.041 25700 8225 1 15 . 1 1 42 42 GLY H H 42 7.577 7.577 7.622 -0.045 25700 8226 1 15 . 1 1 43 43 THR N N 43 116.541 116.541 111.325 5.216 25700 8227 1 15 . 1 1 43 43 THR HA H 43 5.263 5.263 5.179 0.084 25700 8228 1 15 . 1 1 43 43 THR C C 43 174.244 174.244 173.713 0.531 25700 8229 1 15 . 1 1 43 43 THR CA C 43 61.137 61.137 60.338 0.799 25700 8230 1 15 . 1 1 43 43 THR CB C 43 70.759 70.759 70.858 -0.099 25700 8231 1 15 . 1 1 43 43 THR H H 43 8.526 8.526 8.247 0.279 25700 8232 1 15 . 1 1 44 44 SER N N 44 120.903 120.903 119.229 1.674 25700 8233 1 15 . 1 1 44 44 SER HA H 44 4.759 4.759 4.747 0.012 25700 8234 1 15 . 1 1 44 44 SER C C 44 172.241 172.241 172.500 -0.259 25700 8235 1 15 . 1 1 44 44 SER CA C 44 57.340 57.340 57.364 -0.024 25700 8236 1 15 . 1 1 44 44 SER CB C 44 65.568 65.568 65.846 -0.278 25700 8237 1 15 . 1 1 44 44 SER H H 44 8.904 8.904 9.148 -0.244 25700 8238 1 15 . 1 1 45 45 ARG N N 45 124.546 124.546 128.471 -3.925 25700 8239 1 15 . 1 1 45 45 ARG HA H 45 5.489 5.489 5.017 0.472 25700 8240 1 15 . 1 1 45 45 ARG C C 45 175.520 175.520 175.749 -0.229 25700 8241 1 15 . 1 1 45 45 ARG CA C 45 55.101 55.101 55.412 -0.311 25700 8242 1 15 . 1 1 45 45 ARG CB C 45 32.760 32.760 31.105 1.655 25700 8243 1 15 . 1 1 45 45 ARG H H 45 8.579 8.579 8.622 -0.043 25700 8244 1 15 . 1 1 46 46 ILE N N 46 127.920 127.920 129.454 -1.534 25700 8245 1 15 . 1 1 46 46 ILE HA H 46 4.460 4.460 4.316 0.144 25700 8246 1 15 . 1 1 46 46 ILE C C 46 174.450 174.450 174.510 -0.060 25700 8247 1 15 . 1 1 46 46 ILE CA C 46 60.220 60.220 60.473 -0.253 25700 8248 1 15 . 1 1 46 46 ILE CB C 46 41.290 41.290 40.182 1.108 25700 8249 1 15 . 1 1 46 46 ILE H H 46 9.344 9.344 9.271 0.073 25700 8250 1 15 . 1 1 47 47 LYS N N 47 126.061 126.061 127.631 -1.570 25700 8251 1 15 . 1 1 47 47 LYS HA H 47 5.514 5.514 4.862 0.652 25700 8252 1 15 . 1 1 47 47 LYS C C 47 175.790 175.790 175.510 0.280 25700 8253 1 15 . 1 1 47 47 LYS CA C 47 54.870 54.870 55.073 -0.203 25700 8254 1 15 . 1 1 47 47 LYS CB C 47 35.386 35.386 34.700 0.686 25700 8255 1 15 . 1 1 47 47 LYS H H 47 8.734 8.734 8.650 0.084 25700 8256 1 15 . 1 1 48 48 GLN N N 48 122.633 122.633 123.532 -0.899 25700 8257 1 15 . 1 1 48 48 GLN HA H 48 4.669 4.669 4.676 -0.007 25700 8258 1 15 . 1 1 48 48 GLN C C 48 173.659 173.659 173.874 -0.215 25700 8259 1 15 . 1 1 48 48 GLN CA C 48 54.895 54.895 55.298 -0.403 25700 8260 1 15 . 1 1 48 48 GLN CB C 48 33.072 33.072 32.387 0.685 25700 8261 1 15 . 1 1 48 48 GLN H H 48 9.228 9.228 9.152 0.076 25700 8262 1 15 . 1 1 49 49 ALA N N 49 125.634 125.634 125.983 -0.349 25700 8263 1 15 . 1 1 49 49 ALA HA H 49 4.544 4.544 5.410 -0.866 25700 8264 1 15 . 1 1 49 49 ALA C C 49 175.881 175.881 176.403 -0.522 25700 8265 1 15 . 1 1 49 49 ALA CA C 49 50.993 50.993 50.813 0.180 25700 8266 1 15 . 1 1 49 49 ALA CB C 49 22.620 22.620 21.699 0.921 25700 8267 1 15 . 1 1 49 49 ALA H H 49 8.557 8.557 8.547 0.010 25700 8268 1 15 . 1 1 50 50 GLY N N 50 105.483 105.483 108.626 -3.143 25700 8269 1 15 . 1 1 50 50 GLY C C 50 170.217 170.217 171.544 -1.327 25700 8270 1 15 . 1 1 50 50 GLY CA C 50 45.670 45.670 46.146 -0.476 25700 8271 1 15 . 1 1 50 50 GLY H H 50 6.865 6.865 8.247 -1.382 25700 8272 1 15 . 1 1 51 51 ALA N N 51 122.908 122.908 121.816 1.092 25700 8273 1 15 . 1 1 51 51 ALA HA H 51 5.265 5.265 4.763 0.502 25700 8274 1 15 . 1 1 51 51 ALA C C 51 176.793 176.793 175.222 1.571 25700 8275 1 15 . 1 1 51 51 ALA CA C 51 50.736 50.736 50.917 -0.181 25700 8276 1 15 . 1 1 51 51 ALA CB C 51 21.840 21.840 21.503 0.337 25700 8277 1 15 . 1 1 51 51 ALA H H 51 8.522 8.522 8.137 0.385 25700 8278 1 15 . 1 1 52 52 PHE N N 52 115.156 115.156 121.616 -6.460 25700 8279 1 15 . 1 1 52 52 PHE HA H 52 5.106 5.106 4.927 0.179 25700 8280 1 15 . 1 1 52 52 PHE C C 52 172.832 172.832 173.579 -0.747 25700 8281 1 15 . 1 1 52 52 PHE CA C 52 56.890 56.890 56.580 0.310 25700 8282 1 15 . 1 1 52 52 PHE CB C 52 42.428 42.428 43.089 -0.660 25700 8283 1 15 . 1 1 52 52 PHE H H 52 8.191 8.191 8.617 -0.426 25700 8284 1 15 . 1 1 53 53 THR N N 53 116.180 116.180 117.486 -1.306 25700 8285 1 15 . 1 1 53 53 THR HA H 53 4.631 4.631 4.437 0.194 25700 8286 1 15 . 1 1 53 53 THR C C 53 172.769 172.769 173.095 -0.326 25700 8287 1 15 . 1 1 53 53 THR CA C 53 61.610 61.610 61.426 0.184 25700 8288 1 15 . 1 1 53 53 THR CB C 53 70.736 70.736 68.829 1.907 25700 8289 1 15 . 1 1 53 53 THR H H 53 8.650 8.650 6.775 1.875 25700 8290 1 15 . 1 1 54 54 ALA N N 54 127.969 127.969 128.746 -0.777 25700 8291 1 15 . 1 1 54 54 ALA HA H 54 4.748 4.748 4.753 -0.005 25700 8292 1 15 . 1 1 54 54 ALA C C 54 176.369 176.369 174.955 1.414 25700 8293 1 15 . 1 1 54 54 ALA CA C 54 51.397 51.397 50.342 1.055 25700 8294 1 15 . 1 1 54 54 ALA CB C 54 22.010 22.010 22.489 -0.479 25700 8295 1 15 . 1 1 54 54 ALA H H 54 9.353 9.353 8.987 0.366 25700 8296 1 15 . 1 1 55 55 ILE N N 55 123.326 123.326 121.604 1.722 25700 8297 1 15 . 1 1 55 55 ILE HA H 55 4.391 4.391 4.231 0.160 25700 8298 1 15 . 1 1 55 55 ILE C C 55 176.079 176.079 175.554 0.525 25700 8299 1 15 . 1 1 55 55 ILE CA C 55 59.138 59.138 59.527 -0.389 25700 8300 1 15 . 1 1 55 55 ILE CB C 55 39.451 39.451 40.553 -1.102 25700 8301 1 15 . 1 1 55 55 ILE H H 55 7.856 7.856 8.643 -0.787 25700 8302 1 15 . 1 1 56 56 ALA N N 56 130.280 130.280 128.776 1.504 25700 8303 1 15 . 1 1 56 56 ALA HA H 56 3.493 3.493 4.411 -0.918 25700 8304 1 15 . 1 1 56 56 ALA C C 56 177.405 177.405 177.743 -0.338 25700 8305 1 15 . 1 1 56 56 ALA CA C 56 54.156 54.156 52.167 1.989 25700 8306 1 15 . 1 1 56 56 ALA CB C 56 18.871 18.871 18.738 0.133 25700 8307 1 15 . 1 1 56 56 ALA H H 56 9.104 9.104 8.750 0.354 25700 8308 1 15 . 1 1 57 57 GLU N N 57 113.081 113.081 119.244 -6.163 25700 8309 1 15 . 1 1 57 57 GLU HA H 57 3.614 3.614 3.769 -0.155 25700 8310 1 15 . 1 1 57 57 GLU C C 57 174.959 174.959 175.230 -0.271 25700 8311 1 15 . 1 1 57 57 GLU CA C 57 58.080 58.080 57.547 0.533 25700 8312 1 15 . 1 1 57 57 GLU CB C 57 27.141 27.141 28.330 -1.189 25700 8313 1 15 . 1 1 57 57 GLU H H 57 9.007 9.007 9.055 -0.048 25700 8314 1 15 . 1 1 58 58 GLN N N 58 119.796 119.796 118.257 1.539 25700 8315 1 15 . 1 1 58 58 GLN HA H 58 4.519 4.519 4.594 -0.075 25700 8316 1 15 . 1 1 58 58 GLN C C 58 175.217 175.217 174.829 0.388 25700 8317 1 15 . 1 1 58 58 GLN CA C 58 54.379 54.379 54.013 0.366 25700 8318 1 15 . 1 1 58 58 GLN CB C 58 30.102 30.102 31.172 -1.070 25700 8319 1 15 . 1 1 58 58 GLN H H 58 8.061 8.061 7.818 0.243 25700 8320 1 15 . 1 1 59 59 ARG N N 59 124.810 124.810 122.799 2.011 25700 8321 1 15 . 1 1 59 59 ARG HA H 59 4.286 4.286 4.442 -0.156 25700 8322 1 15 . 1 1 59 59 ARG C C 59 176.396 176.396 176.010 0.386 25700 8323 1 15 . 1 1 59 59 ARG CA C 59 56.810 56.810 55.585 1.225 25700 8324 1 15 . 1 1 59 59 ARG CB C 59 30.906 30.906 30.616 0.290 25700 8325 1 15 . 1 1 59 59 ARG H H 59 8.486 8.486 8.560 -0.074 25700 8326 1 15 . 1 1 60 60 VAL N N 60 127.238 127.238 127.659 -0.421 25700 8327 1 15 . 1 1 60 60 VAL HA H 60 4.319 4.319 4.374 -0.055 25700 8328 1 15 . 1 1 60 60 VAL C C 60 174.543 174.543 174.947 -0.404 25700 8329 1 15 . 1 1 60 60 VAL CA C 60 61.227 61.227 60.966 0.261 25700 8330 1 15 . 1 1 60 60 VAL CB C 60 34.177 34.177 34.098 0.079 25700 8331 1 15 . 1 1 60 60 VAL H H 60 9.033 9.033 9.096 -0.063 25700 8332 1 15 . 1 1 61 61 THR N N 61 120.913 120.913 124.067 -3.154 25700 8333 1 15 . 1 1 61 61 THR HA H 61 5.096 5.096 4.620 0.476 25700 8334 1 15 . 1 1 61 61 THR C C 61 174.645 174.645 173.666 0.979 25700 8335 1 15 . 1 1 61 61 THR CA C 61 60.686 60.686 62.564 -1.878 25700 8336 1 15 . 1 1 61 61 THR CB C 61 69.710 69.710 69.348 0.362 25700 8337 1 15 . 1 1 61 61 THR H H 61 8.340 8.340 8.596 -0.256 25700 8338 1 15 . 1 1 62 62 VAL N N 62 117.650 117.650 125.976 -8.326 25700 8339 1 15 . 1 1 62 62 VAL HA H 62 4.294 4.294 4.161 0.133 25700 8340 1 15 . 1 1 62 62 VAL C C 62 174.530 174.530 175.116 -0.586 25700 8341 1 15 . 1 1 62 62 VAL CA C 62 58.641 58.641 61.002 -2.361 25700 8342 1 15 . 1 1 62 62 VAL CB C 62 34.263 34.263 34.869 -0.606 25700 8343 1 15 . 1 1 62 62 VAL H H 62 8.658 8.658 8.987 -0.329 25700 8344 1 15 . 1 1 63 63 GLY N N 63 107.924 107.924 113.959 -6.035 25700 8345 1 15 . 1 1 63 63 GLY C C 63 172.475 172.475 173.625 -1.150 25700 8346 1 15 . 1 1 63 63 GLY CA C 63 43.668 43.668 44.630 -0.962 25700 8347 1 15 . 1 1 63 63 GLY H H 63 7.857 7.857 8.635 -0.778 25700 8348 1 15 . 1 1 64 64 ASN N N 64 116.073 116.073 120.768 -4.695 25700 8349 1 15 . 1 1 64 64 ASN HA H 64 4.530 4.530 4.816 -0.286 25700 8350 1 15 . 1 1 64 64 ASN C C 64 173.307 173.307 174.419 -1.112 25700 8351 1 15 . 1 1 64 64 ASN CA C 64 55.380 55.380 53.746 1.633 25700 8352 1 15 . 1 1 64 64 ASN CB C 64 39.159 39.159 39.053 0.106 25700 8353 1 15 . 1 1 64 64 ASN H H 64 8.933 8.933 8.341 0.592 25700 8354 1 15 . 1 1 65 65 VAL N N 65 126.612 126.612 126.345 0.267 25700 8355 1 15 . 1 1 65 65 VAL HA H 65 4.238 4.238 4.347 -0.109 25700 8356 1 15 . 1 1 65 65 VAL C C 65 173.538 173.538 174.480 -0.942 25700 8357 1 15 . 1 1 65 65 VAL CA C 65 61.970 61.970 60.547 1.423 25700 8358 1 15 . 1 1 65 65 VAL CB C 65 33.829 33.829 34.569 -0.740 25700 8359 1 15 . 1 1 65 65 VAL H H 65 8.548 8.548 8.998 -0.450 25700 8360 1 15 . 1 1 66 66 VAL N N 66 127.886 127.886 127.794 0.092 25700 8361 1 15 . 1 1 66 66 VAL HA H 66 4.990 4.990 4.432 0.558 25700 8362 1 15 . 1 1 66 66 VAL C C 66 175.271 175.271 175.591 -0.320 25700 8363 1 15 . 1 1 66 66 VAL CA C 66 61.360 61.360 61.944 -0.584 25700 8364 1 15 . 1 1 66 66 VAL CB C 66 32.923 32.923 32.435 0.488 25700 8365 1 15 . 1 1 66 66 VAL H H 66 8.364 8.364 8.472 -0.108 25700 8366 1 15 . 1 1 67 67 LEU N N 67 126.454 126.454 127.635 -1.181 25700 8367 1 15 . 1 1 67 67 LEU HA H 67 4.955 4.955 4.738 0.217 25700 8368 1 15 . 1 1 67 67 LEU C C 67 176.547 176.547 176.292 0.255 25700 8369 1 15 . 1 1 67 67 LEU CA C 67 52.492 52.492 52.015 0.477 25700 8370 1 15 . 1 1 67 67 LEU CB C 67 46.685 46.685 43.215 3.470 25700 8371 1 15 . 1 1 67 67 LEU H H 67 9.050 9.050 9.047 0.003 25700 8372 1 15 . 1 1 68 68 ASP N N 68 119.799 119.799 119.193 0.606 25700 8373 1 15 . 1 1 68 68 ASP HA H 68 4.609 4.609 4.591 0.018 25700 8374 1 15 . 1 1 68 68 ASP C C 68 176.247 176.247 175.788 0.459 25700 8375 1 15 . 1 1 68 68 ASP CA C 68 55.492 55.492 53.806 1.686 25700 8376 1 15 . 1 1 68 68 ASP CB C 68 40.566 40.566 41.257 -0.691 25700 8377 1 15 . 1 1 68 68 ASP H H 68 8.722 8.722 8.612 0.110 25700 8378 1 15 . 1 1 69 69 TYR N N 69 123.398 123.398 125.572 -2.174 25700 8379 1 15 . 1 1 69 69 TYR HA H 69 4.651 4.651 4.581 0.070 25700 8380 1 15 . 1 1 69 69 TYR C C 69 174.253 174.253 174.068 0.185 25700 8381 1 15 . 1 1 69 69 TYR CA C 69 57.767 57.767 58.611 -0.845 25700 8382 1 15 . 1 1 69 69 TYR CB C 69 40.067 40.067 38.659 1.408 25700 8383 1 15 . 1 1 69 69 TYR H H 69 8.603 8.603 8.147 0.456 25700 8384 1 15 . 1 1 70 70 SER N N 70 121.308 121.308 122.380 -1.072 25700 8385 1 15 . 1 1 70 70 SER HA H 70 4.059 4.059 4.220 -0.161 25700 8386 1 15 . 1 1 70 70 SER C C 70 174.851 174.851 174.209 0.642 25700 8387 1 15 . 1 1 70 70 SER CA C 70 56.341 56.341 56.940 -0.599 25700 8388 1 15 . 1 1 70 70 SER CB C 70 64.634 64.634 65.787 -1.153 25700 8389 1 15 . 1 1 70 70 SER H H 70 6.749 6.749 8.394 -1.645 25700 8390 1 15 . 1 1 71 71 SER N N 71 122.764 122.764 120.504 2.260 25700 8391 1 15 . 1 1 71 71 SER HA H 71 4.221 4.221 4.312 -0.091 25700 8392 1 15 . 1 1 71 71 SER C C 71 174.098 174.098 175.386 -1.288 25700 8393 1 15 . 1 1 71 71 SER CA C 71 60.326 60.326 60.473 -0.147 25700 8394 1 15 . 1 1 71 71 SER CB C 71 62.814 62.814 63.084 -0.270 25700 8395 1 15 . 1 1 71 71 SER H H 71 8.907 8.907 8.378 0.529 25700 8396 1 15 . 1 1 72 72 ALA N N 72 122.199 122.199 120.657 1.542 25700 8397 1 15 . 1 1 72 72 ALA HA H 72 4.320 4.320 4.429 -0.109 25700 8398 1 15 . 1 1 72 72 ALA C C 72 177.749 177.749 176.878 0.871 25700 8399 1 15 . 1 1 72 72 ALA CA C 72 52.283 52.283 51.469 0.814 25700 8400 1 15 . 1 1 72 72 ALA CB C 72 18.950 18.950 18.349 0.601 25700 8401 1 15 . 1 1 72 72 ALA H H 72 7.869 7.869 7.968 -0.099 25700 8402 1 15 . 1 1 73 73 ASN N N 73 116.297 116.297 117.109 -0.812 25700 8403 1 15 . 1 1 73 73 ASN HA H 73 5.076 5.076 4.585 0.491 25700 8404 1 15 . 1 1 73 73 ASN C C 73 173.794 173.794 174.560 -0.766 25700 8405 1 15 . 1 1 73 73 ASN CA C 73 51.612 51.612 52.370 -0.758 25700 8406 1 15 . 1 1 73 73 ASN CB C 73 40.647 40.647 39.503 1.144 25700 8407 1 15 . 1 1 73 73 ASN H H 73 7.265 7.265 7.446 -0.181 25700 8408 1 15 . 1 1 74 74 ARG N N 74 118.937 118.937 122.554 -3.617 25700 8409 1 15 . 1 1 74 74 ARG HA H 74 4.684 4.684 4.419 0.265 25700 8410 1 15 . 1 1 74 74 ARG C C 74 174.943 174.943 174.280 0.663 25700 8411 1 15 . 1 1 74 74 ARG CA C 74 54.523 54.523 54.259 0.264 25700 8412 1 15 . 1 1 74 74 ARG CB C 74 32.331 32.331 29.970 2.361 25700 8413 1 15 . 1 1 74 74 ARG H H 74 8.529 8.529 8.191 0.338 25700 8414 1 15 . 1 1 75 75 TYR N N 75 122.282 122.282 124.258 -1.976 25700 8415 1 15 . 1 1 75 75 TYR HA H 75 5.159 5.159 5.256 -0.097 25700 8416 1 15 . 1 1 75 75 TYR C C 75 173.593 173.593 174.275 -0.682 25700 8417 1 15 . 1 1 75 75 TYR CA C 75 57.080 57.080 56.417 0.663 25700 8418 1 15 . 1 1 75 75 TYR CB C 75 41.202 41.202 40.454 0.748 25700 8419 1 15 . 1 1 75 75 TYR H H 75 8.691 8.691 8.320 0.371 25700 8420 1 15 . 1 1 76 76 ALA N N 76 122.606 122.606 125.252 -2.646 25700 8421 1 15 . 1 1 76 76 ALA HA H 76 4.788 4.788 4.890 -0.102 25700 8422 1 15 . 1 1 76 76 ALA C C 76 175.765 175.765 174.827 0.938 25700 8423 1 15 . 1 1 76 76 ALA CA C 76 50.543 50.543 49.871 0.672 25700 8424 1 15 . 1 1 76 76 ALA CB C 76 23.070 23.070 22.883 0.187 25700 8425 1 15 . 1 1 76 76 ALA H H 76 8.688 8.688 9.311 -0.623 25700 8426 1 15 . 1 1 77 77 ALA N N 77 119.325 119.325 120.580 -1.255 25700 8427 1 15 . 1 1 77 77 ALA HA H 77 5.488 5.488 5.397 0.091 25700 8428 1 15 . 1 1 77 77 ALA C C 77 174.473 174.473 175.422 -0.949 25700 8429 1 15 . 1 1 77 77 ALA CA C 77 51.813 51.813 51.076 0.737 25700 8430 1 15 . 1 1 77 77 ALA CB C 77 24.137 24.137 22.989 1.148 25700 8431 1 15 . 1 1 77 77 ALA H H 77 8.584 8.584 8.228 0.356 25700 8432 1 15 . 1 1 78 78 ARG N N 78 122.822 122.822 119.085 3.737 25700 8433 1 15 . 1 1 78 78 ARG HA H 78 4.938 4.938 5.456 -0.518 25700 8434 1 15 . 1 1 78 78 ARG C C 78 173.170 173.170 173.863 -0.693 25700 8435 1 15 . 1 1 78 78 ARG CA C 78 54.890 54.890 55.243 -0.353 25700 8436 1 15 . 1 1 78 78 ARG CB C 78 34.467 34.467 32.836 1.631 25700 8437 1 15 . 1 1 78 78 ARG H H 78 8.807 8.807 9.133 -0.326 25700 8438 1 15 . 1 1 79 79 LEU N N 79 130.548 130.548 125.844 4.704 25700 8439 1 15 . 1 1 79 79 LEU HA H 79 5.440 5.440 5.259 0.181 25700 8440 1 15 . 1 1 79 79 LEU C C 79 173.434 173.434 174.398 -0.964 25700 8441 1 15 . 1 1 79 79 LEU CA C 79 53.186 53.186 53.443 -0.257 25700 8442 1 15 . 1 1 79 79 LEU CB C 79 45.369 45.369 45.999 -0.630 25700 8443 1 15 . 1 1 79 79 LEU H H 79 9.055 9.055 8.772 0.283 25700 8444 1 15 . 1 1 80 80 ASP N N 80 125.928 125.928 127.156 -1.228 25700 8445 1 15 . 1 1 80 80 ASP HA H 80 5.480 5.480 5.393 0.087 25700 8446 1 15 . 1 1 80 80 ASP C C 80 175.805 175.805 174.925 0.880 25700 8447 1 15 . 1 1 80 80 ASP CA C 80 53.794 53.794 52.756 1.038 25700 8448 1 15 . 1 1 80 80 ASP CB C 80 44.119 44.119 43.733 0.386 25700 8449 1 15 . 1 1 80 80 ASP H H 80 9.251 9.251 9.128 0.123 25700 8450 1 15 . 1 1 81 81 VAL N N 81 123.295 123.295 127.314 -4.019 25700 8451 1 15 . 1 1 81 81 VAL HA H 81 4.843 4.843 4.460 0.383 25700 8452 1 15 . 1 1 81 81 VAL C C 81 174.136 174.136 174.503 -0.367 25700 8453 1 15 . 1 1 81 81 VAL CA C 81 61.438 61.438 61.600 -0.162 25700 8454 1 15 . 1 1 81 81 VAL CB C 81 35.299 35.299 32.718 2.581 25700 8455 1 15 . 1 1 81 81 VAL H H 81 8.947 8.947 8.855 0.092 25700 8456 1 15 . 1 1 82 82 SER N N 82 122.698 122.698 123.222 -0.524 25700 8457 1 15 . 1 1 82 82 SER HA H 82 5.380 5.380 5.325 0.055 25700 8458 1 15 . 1 1 82 82 SER C C 82 173.016 173.016 173.542 -0.526 25700 8459 1 15 . 1 1 82 82 SER CA C 82 57.195 57.195 57.013 0.182 25700 8460 1 15 . 1 1 82 82 SER CB C 82 64.477 64.477 64.247 0.230 25700 8461 1 15 . 1 1 82 82 SER H H 82 9.026 9.026 8.780 0.246 25700 8462 1 15 . 1 1 83 83 PHE N N 83 127.305 127.305 126.925 0.380 25700 8463 1 15 . 1 1 83 83 PHE HA H 83 4.781 4.781 4.832 -0.051 25700 8464 1 15 . 1 1 83 83 PHE C C 83 174.741 174.741 175.235 -0.494 25700 8465 1 15 . 1 1 83 83 PHE CA C 83 57.376 57.376 57.704 -0.328 25700 8466 1 15 . 1 1 83 83 PHE CB C 83 42.094 42.094 40.590 1.504 25700 8467 1 15 . 1 1 83 83 PHE H H 83 9.012 9.012 8.788 0.224 25700 8468 1 15 . 1 1 84 84 GLY N N 84 117.337 117.337 116.907 0.430 25700 8469 1 15 . 1 1 84 84 GLY C C 84 175.295 175.295 174.997 0.298 25700 8470 1 15 . 1 1 84 84 GLY CA C 84 47.086 47.086 46.612 0.474 25700 8471 1 15 . 1 1 84 84 GLY H H 84 8.784 8.784 8.463 0.321 25700 8472 1 15 . 1 1 85 85 SER N N 85 120.553 120.553 119.265 1.288 25700 8473 1 15 . 1 1 85 85 SER HA H 85 4.383 4.383 4.472 -0.089 25700 8474 1 15 . 1 1 85 85 SER C C 85 173.796 173.796 174.499 -0.703 25700 8475 1 15 . 1 1 85 85 SER CA C 85 59.095 59.095 58.591 0.504 25700 8476 1 15 . 1 1 85 85 SER CB C 85 63.360 63.360 63.896 -0.536 25700 8477 1 15 . 1 1 85 85 SER H H 85 8.687 8.687 8.342 0.345 25700 8478 1 15 . 1 1 86 86 VAL N N 86 121.297 121.297 123.022 -1.725 25700 8479 1 15 . 1 1 86 86 VAL HA H 86 4.504 4.504 4.351 0.153 25700 8480 1 15 . 1 1 86 86 VAL C C 86 174.888 174.888 174.113 0.775 25700 8481 1 15 . 1 1 86 86 VAL CA C 86 61.610 61.610 61.444 0.166 25700 8482 1 15 . 1 1 86 86 VAL CB C 86 34.210 34.210 33.527 0.683 25700 8483 1 15 . 1 1 86 86 VAL H H 86 7.963 7.963 7.422 0.541 25700 8484 1 15 . 1 1 87 87 THR N N 87 119.631 119.631 123.799 -4.168 25700 8485 1 15 . 1 1 87 87 THR HA H 87 5.551 5.551 5.430 0.121 25700 8486 1 15 . 1 1 87 87 THR C C 87 174.271 174.271 173.361 0.910 25700 8487 1 15 . 1 1 87 87 THR CA C 87 60.550 60.550 61.373 -0.823 25700 8488 1 15 . 1 1 87 87 THR CB C 87 71.350 71.350 70.109 1.241 25700 8489 1 15 . 1 1 87 87 THR H H 87 8.302 8.302 8.392 -0.090 25700 8490 1 15 . 1 1 88 88 ILE N N 88 118.811 118.811 122.964 -4.153 25700 8491 1 15 . 1 1 88 88 ILE HA H 88 4.858 4.858 4.759 0.099 25700 8492 1 15 . 1 1 88 88 ILE C C 88 174.300 174.300 172.782 1.518 25700 8493 1 15 . 1 1 88 88 ILE CA C 88 59.380 59.380 59.340 0.040 25700 8494 1 15 . 1 1 88 88 ILE CB C 88 43.170 43.170 41.744 1.426 25700 8495 1 15 . 1 1 88 88 ILE H H 88 8.986 8.986 8.823 0.163 25700 8496 1 15 . 1 1 89 89 GLN N N 89 120.806 120.806 118.337 2.469 25700 8497 1 15 . 1 1 89 89 GLN HA H 89 5.814 5.814 5.763 0.051 25700 8498 1 15 . 1 1 89 89 GLN C C 89 175.021 175.021 174.760 0.261 25700 8499 1 15 . 1 1 89 89 GLN CA C 89 54.171 54.171 54.472 -0.301 25700 8500 1 15 . 1 1 89 89 GLN CB C 89 34.262 34.262 32.842 1.420 25700 8501 1 15 . 1 1 89 89 GLN H H 89 8.481 8.481 8.361 0.120 25700 8502 1 15 . 1 1 90 90 CYS N N 90 118.531 118.531 117.555 0.976 25700 8503 1 15 . 1 1 90 90 CYS HA H 90 5.010 5.010 4.898 0.112 25700 8504 1 15 . 1 1 90 90 CYS C C 90 172.402 172.402 172.858 -0.456 25700 8505 1 15 . 1 1 90 90 CYS CA C 90 54.874 54.874 56.868 -1.994 25700 8506 1 15 . 1 1 90 90 CYS CB C 90 50.267 50.267 31.299 18.968 25700 8507 1 15 . 1 1 90 90 CYS H H 90 9.151 9.151 8.759 0.392 25700 8508 1 15 . 1 1 91 91 ASN N N 91 116.449 116.449 117.782 -1.333 25700 8509 1 15 . 1 1 91 91 ASN HA H 91 5.615 5.615 5.547 0.068 25700 8510 1 15 . 1 1 91 91 ASN C C 91 174.994 174.994 174.063 0.931 25700 8511 1 15 . 1 1 91 91 ASN CA C 91 52.484 52.484 52.208 0.276 25700 8512 1 15 . 1 1 91 91 ASN CB C 91 43.331 43.331 41.525 1.806 25700 8513 1 15 . 1 1 91 91 ASN H H 91 8.791 8.791 8.152 0.639 25700 8514 1 15 . 1 1 92 92 LEU N N 92 123.391 123.391 121.489 1.902 25700 8515 1 15 . 1 1 92 92 LEU HA H 92 4.286 4.286 4.427 -0.141 25700 8516 1 15 . 1 1 92 92 LEU C C 92 176.188 176.188 176.437 -0.249 25700 8517 1 15 . 1 1 92 92 LEU CA C 92 54.863 54.863 54.544 0.319 25700 8518 1 15 . 1 1 92 92 LEU CB C 92 45.064 45.064 43.635 1.429 25700 8519 1 15 . 1 1 92 92 LEU H H 92 8.597 8.597 8.768 -0.171 25700 8520 1 15 . 1 1 93 93 ASP N N 93 129.020 129.020 126.930 2.090 25700 8521 1 15 . 1 1 93 93 ASP HA H 93 5.160 5.160 4.864 0.296 25700 8522 1 15 . 1 1 93 93 ASP C C 93 175.761 175.761 175.670 0.091 25700 8523 1 15 . 1 1 93 93 ASP CA C 93 50.948 50.948 50.923 0.025 25700 8524 1 15 . 1 1 93 93 ASP CB C 93 41.136 41.136 42.076 -0.940 25700 8525 1 15 . 1 1 93 93 ASP H H 93 9.146 9.146 8.690 0.456 25700 8526 1 15 . 1 1 94 94 PRO HA H 94 4.304 4.304 4.811 -0.507 25700 8527 1 15 . 1 1 94 94 PRO C C 94 178.637 178.637 178.173 0.464 25700 8528 1 15 . 1 1 94 94 PRO CA C 94 64.830 64.830 64.701 0.129 25700 8529 1 15 . 1 1 94 94 PRO CB C 94 32.579 32.579 32.182 0.397 25700 8530 1 15 . 1 1 95 95 GLU N N 95 116.747 116.747 116.179 0.568 25700 8531 1 15 . 1 1 95 95 GLU HA H 95 4.223 4.223 4.367 -0.144 25700 8532 1 15 . 1 1 95 95 GLU C C 95 177.994 177.994 177.665 0.329 25700 8533 1 15 . 1 1 95 95 GLU CA C 95 57.773 57.773 57.395 0.378 25700 8534 1 15 . 1 1 95 95 GLU CB C 95 29.084 29.084 29.386 -0.302 25700 8535 1 15 . 1 1 95 95 GLU H H 95 8.358 8.358 8.141 0.217 25700 8536 1 15 . 1 1 96 96 THR N N 96 109.182 109.182 109.733 -0.551 25700 8537 1 15 . 1 1 96 96 THR HA H 96 4.169 4.169 4.363 -0.194 25700 8538 1 15 . 1 1 96 96 THR C C 96 175.238 175.238 175.382 -0.144 25700 8539 1 15 . 1 1 96 96 THR CA C 96 63.038 63.038 62.809 0.229 25700 8540 1 15 . 1 1 96 96 THR CB C 96 69.640 69.640 69.363 0.277 25700 8541 1 15 . 1 1 96 96 THR H H 96 7.951 7.951 8.116 -0.165 25700 8542 1 15 . 1 1 97 97 VAL N N 97 121.118 121.118 120.164 0.954 25700 8543 1 15 . 1 1 97 97 VAL HA H 97 3.770 3.770 3.839 -0.069 25700 8544 1 15 . 1 1 97 97 VAL C C 97 174.851 174.851 176.276 -1.425 25700 8545 1 15 . 1 1 97 97 VAL CA C 97 63.272 63.272 64.520 -1.248 25700 8546 1 15 . 1 1 97 97 VAL CB C 97 30.627 30.627 31.566 -0.938 25700 8547 1 15 . 1 1 97 97 VAL H H 97 7.175 7.175 7.371 -0.196 25700 8548 1 15 . 1 1 98 98 LYS N N 98 123.245 123.245 121.634 1.611 25700 8549 1 15 . 1 1 98 98 LYS HA H 98 4.385 4.385 4.249 0.136 25700 8550 1 15 . 1 1 98 98 LYS C C 98 175.612 175.612 176.397 -0.785 25700 8551 1 15 . 1 1 98 98 LYS CA C 98 55.812 55.812 56.787 -0.975 25700 8552 1 15 . 1 1 98 98 LYS CB C 98 33.804 33.804 30.526 3.278 25700 8553 1 15 . 1 1 98 98 LYS H H 98 7.712 7.712 7.902 -0.190 25700 8554 1 15 . 1 1 99 99 LEU N N 99 122.457 122.457 119.629 2.828 25700 8555 1 15 . 1 1 99 99 LEU HA H 99 4.123 4.123 3.753 0.370 25700 8556 1 15 . 1 1 99 99 LEU C C 99 177.160 177.160 176.753 0.407 25700 8557 1 15 . 1 1 99 99 LEU CA C 99 55.309 55.309 58.354 -3.045 25700 8558 1 15 . 1 1 99 99 LEU CB C 99 42.319 42.319 40.511 1.808 25700 8559 1 15 . 1 1 99 99 LEU H H 99 8.110 8.110 9.260 -1.150 25700 8560 1 15 . 1 1 100 100 GLU N N 100 120.800 120.800 118.484 2.316 25700 8561 1 15 . 1 1 100 100 GLU HA H 100 4.151 4.151 4.394 -0.243 25700 8562 1 15 . 1 1 100 100 GLU C C 100 176.070 176.070 175.181 0.889 25700 8563 1 15 . 1 1 100 100 GLU CA C 100 56.740 56.740 56.436 0.304 25700 8564 1 15 . 1 1 100 100 GLU CB C 100 30.060 30.060 31.574 -1.514 25700 8565 1 15 . 1 1 100 100 GLU H H 100 8.340 8.340 8.589 -0.249 25700 8566 1 16 . 1 1 2 2 VAL N N 2 123.080 123.080 122.595 0.485 25700 8567 1 16 . 1 1 2 2 VAL HA H 2 4.678 4.678 4.268 0.410 25700 8568 1 16 . 1 1 2 2 VAL C C 2 171.871 171.871 175.163 -3.292 25700 8569 1 16 . 1 1 2 2 VAL CA C 2 59.500 59.500 60.538 -1.038 25700 8570 1 16 . 1 1 2 2 VAL CB C 2 34.185 34.185 32.582 1.603 25700 8571 1 16 . 1 1 2 2 VAL H H 2 8.041 8.041 8.598 -0.557 25700 8572 1 16 . 1 1 3 3 GLN N N 3 123.080 123.080 120.761 2.319 25700 8573 1 16 . 1 1 3 3 GLN HA H 3 4.660 4.660 4.708 -0.048 25700 8574 1 16 . 1 1 3 3 GLN CA C 3 54.109 54.109 52.716 1.393 25700 8575 1 16 . 1 1 3 3 GLN CB C 3 33.338 33.338 32.859 0.479 25700 8576 1 16 . 1 1 3 3 GLN H H 3 8.126 8.126 9.063 -0.937 25700 8577 1 16 . 1 1 4 4 CYS N N 4 115.260 115.260 115.796 -0.536 25700 8578 1 16 . 1 1 4 4 CYS HA H 4 5.676 5.676 5.145 0.531 25700 8579 1 16 . 1 1 4 4 CYS C C 4 171.720 171.720 173.486 -1.766 25700 8580 1 16 . 1 1 4 4 CYS CA C 4 53.402 53.402 56.749 -3.347 25700 8581 1 16 . 1 1 4 4 CYS CB C 4 45.525 45.525 31.050 14.475 25700 8582 1 16 . 1 1 4 4 CYS H H 4 8.909 8.909 8.658 0.251 25700 8583 1 16 . 1 1 5 5 GLU N N 5 117.764 117.764 120.101 -2.337 25700 8584 1 16 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.689 -0.210 25700 8585 1 16 . 1 1 5 5 GLU C C 5 174.088 174.088 173.959 0.129 25700 8586 1 16 . 1 1 5 5 GLU CA C 5 54.838 54.838 55.502 -0.664 25700 8587 1 16 . 1 1 5 5 GLU CB C 5 34.155 34.155 34.216 -0.061 25700 8588 1 16 . 1 1 5 5 GLU H H 5 8.580 8.580 8.712 -0.132 25700 8589 1 16 . 1 1 6 6 VAL N N 6 120.471 120.471 116.290 4.181 25700 8590 1 16 . 1 1 6 6 VAL HA H 6 4.427 4.427 4.310 0.117 25700 8591 1 16 . 1 1 6 6 VAL C C 6 174.211 174.211 174.643 -0.432 25700 8592 1 16 . 1 1 6 6 VAL CA C 6 61.540 61.540 60.839 0.701 25700 8593 1 16 . 1 1 6 6 VAL CB C 6 32.618 32.618 34.114 -1.496 25700 8594 1 16 . 1 1 6 6 VAL H H 6 8.588 8.588 8.134 0.454 25700 8595 1 16 . 1 1 7 7 GLU N N 7 125.816 125.816 124.766 1.050 25700 8596 1 16 . 1 1 7 7 GLU HA H 7 4.548 4.548 5.016 -0.468 25700 8597 1 16 . 1 1 7 7 GLU C C 7 174.194 174.194 174.848 -0.654 25700 8598 1 16 . 1 1 7 7 GLU CA C 7 54.524 54.524 53.979 0.545 25700 8599 1 16 . 1 1 7 7 GLU CB C 7 33.291 33.291 34.190 -0.899 25700 8600 1 16 . 1 1 7 7 GLU H H 7 8.820 8.820 8.482 0.338 25700 8601 1 16 . 1 1 8 8 ALA N N 8 122.882 122.882 123.460 -0.578 25700 8602 1 16 . 1 1 8 8 ALA HA H 8 5.238 5.238 4.666 0.572 25700 8603 1 16 . 1 1 8 8 ALA C C 8 175.557 175.557 175.471 0.086 25700 8604 1 16 . 1 1 8 8 ALA CA C 8 49.950 49.950 50.754 -0.804 25700 8605 1 16 . 1 1 8 8 ALA CB C 8 22.730 22.730 21.284 1.446 25700 8606 1 16 . 1 1 8 8 ALA H H 8 8.410 8.410 9.474 -1.064 25700 8607 1 16 . 1 1 9 9 ALA N N 9 124.110 124.110 127.869 -3.759 25700 8608 1 16 . 1 1 9 9 ALA HA H 9 4.691 4.691 4.771 -0.080 25700 8609 1 16 . 1 1 9 9 ALA C C 9 176.300 176.300 175.805 0.495 25700 8610 1 16 . 1 1 9 9 ALA CA C 9 50.825 50.825 50.250 0.575 25700 8611 1 16 . 1 1 9 9 ALA CB C 9 21.240 21.240 20.318 0.922 25700 8612 1 16 . 1 1 9 9 ALA H H 9 8.407 8.407 9.171 -0.764 25700 8613 1 16 . 1 1 10 10 VAL N N 10 126.780 126.780 126.745 0.035 25700 8614 1 16 . 1 1 10 10 VAL HA H 10 4.379 4.379 3.950 0.429 25700 8615 1 16 . 1 1 10 10 VAL C C 10 175.717 175.717 174.882 0.835 25700 8616 1 16 . 1 1 10 10 VAL CA C 10 61.580 61.580 61.828 -0.248 25700 8617 1 16 . 1 1 10 10 VAL CB C 10 32.209 32.209 31.208 1.001 25700 8618 1 16 . 1 1 10 10 VAL H H 10 8.860 8.860 8.470 0.390 25700 8619 1 16 . 1 1 11 11 SER N N 11 120.868 120.868 122.375 -1.507 25700 8620 1 16 . 1 1 11 11 SER HA H 11 4.448 4.448 4.710 -0.262 25700 8621 1 16 . 1 1 11 11 SER C C 11 175.498 175.498 174.691 0.807 25700 8622 1 16 . 1 1 11 11 SER CA C 11 57.590 57.590 56.325 1.265 25700 8623 1 16 . 1 1 11 11 SER CB C 11 64.000 64.000 65.318 -1.318 25700 8624 1 16 . 1 1 11 11 SER H H 11 8.478 8.478 8.646 -0.168 25700 8625 1 16 . 1 1 12 12 GLY N N 12 116.896 116.896 107.303 9.593 25700 8626 1 16 . 1 1 12 12 GLY C C 12 174.994 174.994 174.836 0.158 25700 8627 1 16 . 1 1 12 12 GLY CA C 12 47.515 47.515 46.014 1.501 25700 8628 1 16 . 1 1 12 12 GLY H H 12 9.120 9.120 8.630 0.490 25700 8629 1 16 . 1 1 13 13 GLY N N 13 108.984 108.984 114.240 -5.256 25700 8630 1 16 . 1 1 13 13 GLY C C 13 174.440 174.440 173.596 0.844 25700 8631 1 16 . 1 1 13 13 GLY CA C 13 45.383 45.383 45.172 0.211 25700 8632 1 16 . 1 1 13 13 GLY H H 13 8.816 8.816 8.669 0.147 25700 8633 1 16 . 1 1 14 14 HIS N N 14 118.737 118.737 118.854 -0.117 25700 8634 1 16 . 1 1 14 14 HIS HA H 14 5.458 5.458 5.313 0.145 25700 8635 1 16 . 1 1 14 14 HIS C C 14 172.243 172.243 173.167 -0.924 25700 8636 1 16 . 1 1 14 14 HIS CA C 14 54.905 54.905 55.350 -0.445 25700 8637 1 16 . 1 1 14 14 HIS CB C 14 32.311 32.311 33.548 -1.237 25700 8638 1 16 . 1 1 14 14 HIS H H 14 8.084 8.084 7.749 0.335 25700 8639 1 16 . 1 1 15 15 VAL N N 15 120.204 120.204 124.888 -4.684 25700 8640 1 16 . 1 1 15 15 VAL HA H 15 4.932 4.932 4.657 0.275 25700 8641 1 16 . 1 1 15 15 VAL C C 15 172.314 172.314 174.164 -1.850 25700 8642 1 16 . 1 1 15 15 VAL CA C 15 58.540 58.540 59.617 -1.077 25700 8643 1 16 . 1 1 15 15 VAL CB C 15 34.285 34.285 34.062 0.223 25700 8644 1 16 . 1 1 15 15 VAL H H 15 9.369 9.369 9.127 0.242 25700 8645 1 16 . 1 1 16 16 THR N N 16 123.685 123.685 126.186 -2.501 25700 8646 1 16 . 1 1 16 16 THR HA H 16 5.220 5.220 4.897 0.323 25700 8647 1 16 . 1 1 16 16 THR C C 16 174.478 174.478 173.006 1.472 25700 8648 1 16 . 1 1 16 16 THR CA C 16 61.481 61.481 62.487 -1.006 25700 8649 1 16 . 1 1 16 16 THR CB C 16 70.017 70.017 69.416 0.601 25700 8650 1 16 . 1 1 16 16 THR H H 16 8.604 8.604 9.094 -0.490 25700 8651 1 16 . 1 1 17 17 LEU N N 17 128.958 128.958 129.847 -0.889 25700 8652 1 16 . 1 1 17 17 LEU HA H 17 5.407 5.407 4.767 0.640 25700 8653 1 16 . 1 1 17 17 LEU C C 17 174.481 174.481 174.211 0.270 25700 8654 1 16 . 1 1 17 17 LEU CA C 17 53.999 53.999 53.900 0.099 25700 8655 1 16 . 1 1 17 17 LEU CB C 17 44.108 44.108 45.115 -1.007 25700 8656 1 16 . 1 1 17 17 LEU H H 17 9.627 9.627 9.300 0.327 25700 8657 1 16 . 1 1 18 18 GLN N N 18 115.227 115.227 122.205 -6.978 25700 8658 1 16 . 1 1 18 18 GLN HA H 18 4.465 4.465 5.242 -0.777 25700 8659 1 16 . 1 1 18 18 GLN C C 18 174.042 174.042 175.268 -1.226 25700 8660 1 16 . 1 1 18 18 GLN CA C 18 53.725 53.725 54.182 -0.457 25700 8661 1 16 . 1 1 18 18 GLN CB C 18 31.767 31.767 32.418 -0.651 25700 8662 1 16 . 1 1 18 18 GLN H H 18 8.243 8.243 8.775 -0.532 25700 8663 1 16 . 1 1 19 19 GLY N N 19 107.795 107.795 109.384 -1.589 25700 8664 1 16 . 1 1 19 19 GLY C C 19 172.005 172.005 172.601 -0.596 25700 8665 1 16 . 1 1 19 19 GLY CA C 19 44.485 44.485 43.981 0.504 25700 8666 1 16 . 1 1 19 19 GLY H H 19 9.100 9.100 8.916 0.184 25700 8667 1 16 . 1 1 20 20 VAL N N 20 120.951 120.951 126.815 -5.864 25700 8668 1 16 . 1 1 20 20 VAL HA H 20 4.634 4.634 4.152 0.482 25700 8669 1 16 . 1 1 20 20 VAL C C 20 175.670 175.670 175.073 0.597 25700 8670 1 16 . 1 1 20 20 VAL CA C 20 61.380 61.380 62.041 -0.661 25700 8671 1 16 . 1 1 20 20 VAL CB C 20 33.990 33.990 32.165 1.825 25700 8672 1 16 . 1 1 20 20 VAL H H 20 8.859 8.859 8.514 0.345 25700 8673 1 16 . 1 1 21 21 ILE N N 21 129.511 129.511 130.331 -0.820 25700 8674 1 16 . 1 1 21 21 ILE HA H 21 4.443 4.443 4.437 0.006 25700 8675 1 16 . 1 1 21 21 ILE C C 21 174.567 174.567 175.543 -0.976 25700 8676 1 16 . 1 1 21 21 ILE CA C 21 59.883 59.883 60.523 -0.640 25700 8677 1 16 . 1 1 21 21 ILE CB C 21 41.152 41.152 38.908 2.244 25700 8678 1 16 . 1 1 21 21 ILE H H 21 9.304 9.304 9.195 0.109 25700 8679 1 16 . 1 1 22 22 THR N N 22 120.311 120.311 125.535 -5.224 25700 8680 1 16 . 1 1 22 22 THR HA H 22 4.479 4.479 4.851 -0.372 25700 8681 1 16 . 1 1 22 22 THR C C 22 172.996 172.996 173.303 -0.307 25700 8682 1 16 . 1 1 22 22 THR CA C 22 61.647 61.647 62.500 -0.853 25700 8683 1 16 . 1 1 22 22 THR CB C 22 70.230 70.230 69.610 0.620 25700 8684 1 16 . 1 1 22 22 THR H H 22 8.063 8.063 8.610 -0.547 25700 8685 1 16 . 1 1 23 23 ALA N N 23 104.959 104.959 128.748 -23.789 25700 8686 1 16 . 1 1 23 23 ALA HA H 23 5.056 5.056 4.777 0.279 25700 8687 1 16 . 1 1 23 23 ALA C C 23 177.722 177.722 177.039 0.683 25700 8688 1 16 . 1 1 23 23 ALA CA C 23 49.963 49.963 50.406 -0.443 25700 8689 1 16 . 1 1 23 23 ALA CB C 23 22.915 22.915 21.168 1.747 25700 8690 1 16 . 1 1 23 23 ALA H H 23 9.764 9.764 8.776 0.988 25700 8691 1 16 . 1 1 24 24 VAL N N 24 113.370 113.370 122.584 -9.214 25700 8692 1 16 . 1 1 24 24 VAL HA H 24 4.083 4.083 3.968 0.115 25700 8693 1 16 . 1 1 24 24 VAL C C 24 174.539 174.539 175.212 -0.673 25700 8694 1 16 . 1 1 24 24 VAL CA C 24 62.339 62.339 63.952 -1.613 25700 8695 1 16 . 1 1 24 24 VAL CB C 24 31.933 31.933 31.763 0.170 25700 8696 1 16 . 1 1 24 24 VAL H H 24 8.239 8.239 8.184 0.055 25700 8697 1 16 . 1 1 25 25 ARG N N 25 116.002 116.002 118.688 -2.686 25700 8698 1 16 . 1 1 25 25 ARG HA H 25 4.740 4.740 4.533 0.207 25700 8699 1 16 . 1 1 25 25 ARG C C 25 172.797 172.797 174.425 -1.628 25700 8700 1 16 . 1 1 25 25 ARG CA C 25 53.284 53.284 53.904 -0.619 25700 8701 1 16 . 1 1 25 25 ARG CB C 25 33.542 33.542 33.152 0.390 25700 8702 1 16 . 1 1 25 25 ARG H H 25 7.308 7.308 7.732 -0.424 25700 8703 1 16 . 1 1 26 26 ASP N N 26 118.075 118.075 122.522 -4.447 25700 8704 1 16 . 1 1 26 26 ASP HA H 26 4.665 4.665 4.844 -0.179 25700 8705 1 16 . 1 1 26 26 ASP C C 26 177.721 177.721 176.280 1.441 25700 8706 1 16 . 1 1 26 26 ASP CA C 26 53.911 53.911 54.660 -0.749 25700 8707 1 16 . 1 1 26 26 ASP CB C 26 41.143 41.143 41.185 -0.042 25700 8708 1 16 . 1 1 26 26 ASP H H 26 8.301 8.301 8.448 -0.147 25700 8709 1 16 . 1 1 27 27 GLY N N 27 106.966 106.966 110.270 -3.304 25700 8710 1 16 . 1 1 27 27 GLY C C 27 170.472 170.472 171.981 -1.509 25700 8711 1 16 . 1 1 27 27 GLY CA C 27 46.213 46.213 45.447 0.766 25700 8712 1 16 . 1 1 27 27 GLY H H 27 8.276 8.276 8.944 -0.668 25700 8713 1 16 . 1 1 28 28 ALA N N 28 122.805 122.805 123.073 -0.268 25700 8714 1 16 . 1 1 28 28 ALA HA H 28 4.898 4.898 4.990 -0.092 25700 8715 1 16 . 1 1 28 28 ALA C C 28 176.720 176.720 175.735 0.985 25700 8716 1 16 . 1 1 28 28 ALA CA C 28 50.756 50.756 50.958 -0.202 25700 8717 1 16 . 1 1 28 28 ALA CB C 28 21.482 21.482 21.565 -0.083 25700 8718 1 16 . 1 1 28 28 ALA H H 28 8.065 8.065 8.157 -0.092 25700 8719 1 16 . 1 1 29 29 GLY N N 29 106.538 106.538 107.865 -1.327 25700 8720 1 16 . 1 1 29 29 GLY C C 29 172.866 172.866 171.211 1.655 25700 8721 1 16 . 1 1 29 29 GLY CA C 29 45.538 45.538 42.955 2.583 25700 8722 1 16 . 1 1 29 29 GLY H H 29 7.654 7.654 8.531 -0.877 25700 8723 1 16 . 1 1 30 30 SER N N 30 116.216 116.216 113.715 2.501 25700 8724 1 16 . 1 1 30 30 SER HA H 30 5.564 5.564 4.662 0.902 25700 8725 1 16 . 1 1 30 30 SER C C 30 172.216 172.216 172.575 -0.359 25700 8726 1 16 . 1 1 30 30 SER CA C 30 57.505 57.505 56.694 0.811 25700 8727 1 16 . 1 1 30 30 SER CB C 30 66.321 66.321 65.591 0.730 25700 8728 1 16 . 1 1 30 30 SER H H 30 9.185 9.185 7.683 1.502 25700 8729 1 16 . 1 1 31 31 TYR N N 31 118.467 118.467 117.160 1.307 25700 8730 1 16 . 1 1 31 31 TYR HA H 31 6.035 6.035 5.058 0.977 25700 8731 1 16 . 1 1 31 31 TYR C C 31 174.138 174.138 173.688 0.450 25700 8732 1 16 . 1 1 31 31 TYR CA C 31 55.806 55.806 56.403 -0.597 25700 8733 1 16 . 1 1 31 31 TYR CB C 31 43.091 43.091 41.263 1.828 25700 8734 1 16 . 1 1 31 31 TYR H H 31 9.215 9.215 8.822 0.393 25700 8735 1 16 . 1 1 32 32 LYS N N 32 121.086 121.086 119.933 1.153 25700 8736 1 16 . 1 1 32 32 LYS HA H 32 4.772 4.772 4.955 -0.183 25700 8737 1 16 . 1 1 32 32 LYS C C 32 173.750 173.750 174.245 -0.495 25700 8738 1 16 . 1 1 32 32 LYS CA C 32 56.495 56.495 55.259 1.236 25700 8739 1 16 . 1 1 32 32 LYS CB C 32 35.800 35.800 34.589 1.211 25700 8740 1 16 . 1 1 32 32 LYS H H 32 8.904 8.904 9.390 -0.486 25700 8741 1 16 . 1 1 33 33 LEU N N 33 128.296 128.296 127.033 1.263 25700 8742 1 16 . 1 1 33 33 LEU HA H 33 5.329 5.329 5.051 0.278 25700 8743 1 16 . 1 1 33 33 LEU C C 33 173.389 173.389 174.147 -0.758 25700 8744 1 16 . 1 1 33 33 LEU CA C 33 53.547 53.547 52.836 0.711 25700 8745 1 16 . 1 1 33 33 LEU CB C 33 45.460 45.460 44.854 0.606 25700 8746 1 16 . 1 1 33 33 LEU H H 33 9.663 9.663 9.135 0.528 25700 8747 1 16 . 1 1 34 34 ALA N N 34 129.791 129.791 130.004 -0.213 25700 8748 1 16 . 1 1 34 34 ALA HA H 34 5.419 5.419 5.304 0.115 25700 8749 1 16 . 1 1 34 34 ALA C C 34 176.313 176.313 175.475 0.838 25700 8750 1 16 . 1 1 34 34 ALA CA C 34 50.605 50.605 50.004 0.601 25700 8751 1 16 . 1 1 34 34 ALA CB C 34 21.237 21.237 22.340 -1.103 25700 8752 1 16 . 1 1 34 34 ALA H H 34 9.044 9.044 9.262 -0.218 25700 8753 1 16 . 1 1 35 35 VAL N N 35 124.532 124.532 122.661 1.871 25700 8754 1 16 . 1 1 35 35 VAL HA H 35 4.844 4.844 4.603 0.241 25700 8755 1 16 . 1 1 35 35 VAL C C 35 173.511 173.511 174.352 -0.841 25700 8756 1 16 . 1 1 35 35 VAL CA C 35 61.113 61.113 60.972 0.141 25700 8757 1 16 . 1 1 35 35 VAL CB C 35 35.152 35.152 34.664 0.488 25700 8758 1 16 . 1 1 35 35 VAL H H 35 9.332 9.332 8.884 0.448 25700 8759 1 16 . 1 1 36 36 ASP N N 36 127.077 127.077 126.399 0.678 25700 8760 1 16 . 1 1 36 36 ASP HA H 36 5.560 5.560 5.151 0.409 25700 8761 1 16 . 1 1 36 36 ASP C C 36 174.146 174.146 174.163 -0.017 25700 8762 1 16 . 1 1 36 36 ASP CA C 36 53.219 53.219 53.262 -0.043 25700 8763 1 16 . 1 1 36 36 ASP CB C 36 44.387 44.387 43.670 0.717 25700 8764 1 16 . 1 1 36 36 ASP H H 36 9.169 9.169 9.272 -0.103 25700 8765 1 16 . 1 1 37 37 LYS N N 37 122.568 122.568 127.401 -4.833 25700 8766 1 16 . 1 1 37 37 LYS HA H 37 4.673 4.673 5.585 -0.912 25700 8767 1 16 . 1 1 37 37 LYS C C 37 173.710 173.710 174.017 -0.307 25700 8768 1 16 . 1 1 37 37 LYS CA C 37 54.410 54.410 54.407 0.003 25700 8769 1 16 . 1 1 37 37 LYS CB C 37 34.907 34.907 36.295 -1.388 25700 8770 1 16 . 1 1 37 37 LYS H H 37 8.665 8.665 8.821 -0.156 25700 8771 1 16 . 1 1 38 38 ALA N N 38 130.221 130.221 128.689 1.532 25700 8772 1 16 . 1 1 38 38 ALA HA H 38 4.983 4.983 5.386 -0.403 25700 8773 1 16 . 1 1 38 38 ALA C C 38 176.141 176.141 175.109 1.032 25700 8774 1 16 . 1 1 38 38 ALA CA C 38 51.093 51.093 50.980 0.113 25700 8775 1 16 . 1 1 38 38 ALA CB C 38 21.778 21.778 22.272 -0.494 25700 8776 1 16 . 1 1 38 38 ALA H H 38 8.798 8.798 8.988 -0.190 25700 8777 1 16 . 1 1 39 39 GLY N N 39 109.328 109.328 109.694 -0.366 25700 8778 1 16 . 1 1 39 39 GLY C C 39 174.208 174.208 174.320 -0.112 25700 8779 1 16 . 1 1 39 39 GLY CA C 39 44.645 44.645 44.676 -0.031 25700 8780 1 16 . 1 1 39 39 GLY H H 39 7.851 7.851 8.759 -0.908 25700 8781 1 16 . 1 1 40 40 ALA N N 40 125.088 125.088 122.396 2.692 25700 8782 1 16 . 1 1 40 40 ALA HA H 40 4.051 4.051 4.109 -0.058 25700 8783 1 16 . 1 1 40 40 ALA C C 40 178.917 178.917 178.885 0.032 25700 8784 1 16 . 1 1 40 40 ALA CA C 40 54.841 54.841 54.418 0.423 25700 8785 1 16 . 1 1 40 40 ALA CB C 40 18.293 18.293 18.680 -0.387 25700 8786 1 16 . 1 1 40 40 ALA H H 40 8.766 8.766 8.611 0.155 25700 8787 1 16 . 1 1 41 41 ALA N N 41 117.569 117.569 120.019 -2.450 25700 8788 1 16 . 1 1 41 41 ALA HA H 41 4.419 4.419 4.371 0.048 25700 8789 1 16 . 1 1 41 41 ALA C C 41 177.136 177.136 177.926 -0.790 25700 8790 1 16 . 1 1 41 41 ALA CA C 41 51.929 51.929 51.531 0.398 25700 8791 1 16 . 1 1 41 41 ALA CB C 41 18.774 18.774 19.003 -0.229 25700 8792 1 16 . 1 1 41 41 ALA H H 41 8.300 8.300 8.073 0.227 25700 8793 1 16 . 1 1 42 42 GLY N N 42 106.796 106.796 107.549 -0.753 25700 8794 1 16 . 1 1 42 42 GLY C C 42 173.379 173.379 172.773 0.606 25700 8795 1 16 . 1 1 42 42 GLY CA C 42 44.336 44.336 44.430 -0.094 25700 8796 1 16 . 1 1 42 42 GLY H H 42 7.577 7.577 7.837 -0.260 25700 8797 1 16 . 1 1 43 43 THR N N 43 116.541 116.541 114.485 2.056 25700 8798 1 16 . 1 1 43 43 THR HA H 43 5.263 5.263 5.296 -0.033 25700 8799 1 16 . 1 1 43 43 THR C C 43 174.244 174.244 173.785 0.459 25700 8800 1 16 . 1 1 43 43 THR CA C 43 61.137 61.137 59.976 1.161 25700 8801 1 16 . 1 1 43 43 THR CB C 43 70.759 70.759 70.898 -0.139 25700 8802 1 16 . 1 1 43 43 THR H H 43 8.526 8.526 8.245 0.281 25700 8803 1 16 . 1 1 44 44 SER N N 44 120.903 120.903 117.527 3.376 25700 8804 1 16 . 1 1 44 44 SER HA H 44 4.759 4.759 4.785 -0.026 25700 8805 1 16 . 1 1 44 44 SER C C 44 172.241 172.241 172.853 -0.612 25700 8806 1 16 . 1 1 44 44 SER CA C 44 57.340 57.340 57.803 -0.463 25700 8807 1 16 . 1 1 44 44 SER CB C 44 65.568 65.568 65.955 -0.387 25700 8808 1 16 . 1 1 44 44 SER H H 44 8.904 8.904 9.135 -0.231 25700 8809 1 16 . 1 1 45 45 ARG N N 45 124.546 124.546 123.841 0.705 25700 8810 1 16 . 1 1 45 45 ARG HA H 45 5.489 5.489 4.739 0.750 25700 8811 1 16 . 1 1 45 45 ARG C C 45 175.520 175.520 175.788 -0.268 25700 8812 1 16 . 1 1 45 45 ARG CA C 45 55.101 55.101 54.665 0.436 25700 8813 1 16 . 1 1 45 45 ARG CB C 45 32.760 32.760 30.512 2.248 25700 8814 1 16 . 1 1 45 45 ARG H H 45 8.579 8.579 8.562 0.017 25700 8815 1 16 . 1 1 46 46 ILE N N 46 127.920 127.920 127.764 0.156 25700 8816 1 16 . 1 1 46 46 ILE HA H 46 4.460 4.460 4.297 0.163 25700 8817 1 16 . 1 1 46 46 ILE C C 46 174.450 174.450 174.734 -0.284 25700 8818 1 16 . 1 1 46 46 ILE CA C 46 60.220 60.220 60.541 -0.321 25700 8819 1 16 . 1 1 46 46 ILE CB C 46 41.290 41.290 39.538 1.752 25700 8820 1 16 . 1 1 46 46 ILE H H 46 9.344 9.344 9.290 0.054 25700 8821 1 16 . 1 1 47 47 LYS N N 47 126.061 126.061 127.133 -1.072 25700 8822 1 16 . 1 1 47 47 LYS HA H 47 5.514 5.514 4.910 0.604 25700 8823 1 16 . 1 1 47 47 LYS C C 47 175.790 175.790 175.508 0.282 25700 8824 1 16 . 1 1 47 47 LYS CA C 47 54.870 54.870 55.297 -0.427 25700 8825 1 16 . 1 1 47 47 LYS CB C 47 35.386 35.386 35.380 0.006 25700 8826 1 16 . 1 1 47 47 LYS H H 47 8.734 8.734 8.637 0.097 25700 8827 1 16 . 1 1 48 48 GLN N N 48 122.633 122.633 125.341 -2.708 25700 8828 1 16 . 1 1 48 48 GLN HA H 48 4.669 4.669 4.637 0.032 25700 8829 1 16 . 1 1 48 48 GLN C C 48 173.659 173.659 173.906 -0.247 25700 8830 1 16 . 1 1 48 48 GLN CA C 48 54.895 54.895 55.259 -0.364 25700 8831 1 16 . 1 1 48 48 GLN CB C 48 33.072 33.072 32.905 0.167 25700 8832 1 16 . 1 1 48 48 GLN H H 48 9.228 9.228 9.258 -0.030 25700 8833 1 16 . 1 1 49 49 ALA N N 49 125.634 125.634 125.873 -0.239 25700 8834 1 16 . 1 1 49 49 ALA HA H 49 4.544 4.544 5.441 -0.897 25700 8835 1 16 . 1 1 49 49 ALA C C 49 175.881 175.881 176.358 -0.477 25700 8836 1 16 . 1 1 49 49 ALA CA C 49 50.993 50.993 51.045 -0.052 25700 8837 1 16 . 1 1 49 49 ALA CB C 49 22.620 22.620 21.733 0.887 25700 8838 1 16 . 1 1 49 49 ALA H H 49 8.557 8.557 8.448 0.109 25700 8839 1 16 . 1 1 50 50 GLY N N 50 105.483 105.483 108.156 -2.673 25700 8840 1 16 . 1 1 50 50 GLY C C 50 170.217 170.217 171.488 -1.271 25700 8841 1 16 . 1 1 50 50 GLY CA C 50 45.670 45.670 46.093 -0.423 25700 8842 1 16 . 1 1 50 50 GLY H H 50 6.865 6.865 8.424 -1.559 25700 8843 1 16 . 1 1 51 51 ALA N N 51 122.908 122.908 121.947 0.961 25700 8844 1 16 . 1 1 51 51 ALA HA H 51 5.265 5.265 4.904 0.361 25700 8845 1 16 . 1 1 51 51 ALA C C 51 176.793 176.793 175.293 1.500 25700 8846 1 16 . 1 1 51 51 ALA CA C 51 50.736 50.736 50.801 -0.065 25700 8847 1 16 . 1 1 51 51 ALA CB C 51 21.840 21.840 21.389 0.452 25700 8848 1 16 . 1 1 51 51 ALA H H 51 8.522 8.522 8.145 0.377 25700 8849 1 16 . 1 1 52 52 PHE N N 52 115.156 115.156 122.738 -7.582 25700 8850 1 16 . 1 1 52 52 PHE HA H 52 5.106 5.106 4.951 0.155 25700 8851 1 16 . 1 1 52 52 PHE C C 52 172.832 172.832 173.897 -1.065 25700 8852 1 16 . 1 1 52 52 PHE CA C 52 56.890 56.890 56.176 0.714 25700 8853 1 16 . 1 1 52 52 PHE CB C 52 42.428 42.428 42.740 -0.312 25700 8854 1 16 . 1 1 52 52 PHE H H 52 8.191 8.191 8.751 -0.560 25700 8855 1 16 . 1 1 53 53 THR N N 53 116.180 116.180 114.671 1.509 25700 8856 1 16 . 1 1 53 53 THR HA H 53 4.631 4.631 4.480 0.151 25700 8857 1 16 . 1 1 53 53 THR C C 53 172.769 172.769 173.178 -0.409 25700 8858 1 16 . 1 1 53 53 THR CA C 53 61.610 61.610 60.964 0.646 25700 8859 1 16 . 1 1 53 53 THR CB C 53 70.736 70.736 68.737 1.999 25700 8860 1 16 . 1 1 53 53 THR H H 53 8.650 8.650 6.658 1.992 25700 8861 1 16 . 1 1 54 54 ALA N N 54 127.969 127.969 127.921 0.048 25700 8862 1 16 . 1 1 54 54 ALA HA H 54 4.748 4.748 4.744 0.004 25700 8863 1 16 . 1 1 54 54 ALA C C 54 176.369 176.369 174.740 1.629 25700 8864 1 16 . 1 1 54 54 ALA CA C 54 51.397 51.397 50.698 0.699 25700 8865 1 16 . 1 1 54 54 ALA CB C 54 22.010 22.010 22.405 -0.395 25700 8866 1 16 . 1 1 54 54 ALA H H 54 9.353 9.353 8.904 0.449 25700 8867 1 16 . 1 1 55 55 ILE N N 55 123.326 123.326 120.990 2.336 25700 8868 1 16 . 1 1 55 55 ILE HA H 55 4.391 4.391 4.273 0.118 25700 8869 1 16 . 1 1 55 55 ILE C C 55 176.079 176.079 175.223 0.856 25700 8870 1 16 . 1 1 55 55 ILE CA C 55 59.138 59.138 59.617 -0.479 25700 8871 1 16 . 1 1 55 55 ILE CB C 55 39.451 39.451 41.193 -1.742 25700 8872 1 16 . 1 1 55 55 ILE H H 55 7.856 7.856 8.527 -0.671 25700 8873 1 16 . 1 1 56 56 ALA N N 56 130.280 130.280 128.946 1.334 25700 8874 1 16 . 1 1 56 56 ALA HA H 56 3.493 3.493 4.356 -0.863 25700 8875 1 16 . 1 1 56 56 ALA C C 56 177.405 177.405 177.760 -0.355 25700 8876 1 16 . 1 1 56 56 ALA CA C 56 54.156 54.156 52.404 1.752 25700 8877 1 16 . 1 1 56 56 ALA CB C 56 18.871 18.871 18.795 0.076 25700 8878 1 16 . 1 1 56 56 ALA H H 56 9.104 9.104 8.766 0.338 25700 8879 1 16 . 1 1 57 57 GLU N N 57 113.081 113.081 118.687 -5.606 25700 8880 1 16 . 1 1 57 57 GLU HA H 57 3.614 3.614 3.781 -0.167 25700 8881 1 16 . 1 1 57 57 GLU C C 57 174.959 174.959 175.416 -0.457 25700 8882 1 16 . 1 1 57 57 GLU CA C 57 58.080 58.080 57.736 0.345 25700 8883 1 16 . 1 1 57 57 GLU CB C 57 27.141 27.141 28.608 -1.466 25700 8884 1 16 . 1 1 57 57 GLU H H 57 9.007 9.007 8.894 0.113 25700 8885 1 16 . 1 1 58 58 GLN N N 58 119.796 119.796 118.367 1.429 25700 8886 1 16 . 1 1 58 58 GLN HA H 58 4.519 4.519 4.590 -0.071 25700 8887 1 16 . 1 1 58 58 GLN C C 58 175.217 175.217 175.018 0.199 25700 8888 1 16 . 1 1 58 58 GLN CA C 58 54.379 54.379 54.121 0.258 25700 8889 1 16 . 1 1 58 58 GLN CB C 58 30.102 30.102 30.751 -0.649 25700 8890 1 16 . 1 1 58 58 GLN H H 58 8.061 8.061 7.811 0.250 25700 8891 1 16 . 1 1 59 59 ARG N N 59 124.810 124.810 123.527 1.283 25700 8892 1 16 . 1 1 59 59 ARG HA H 59 4.286 4.286 4.552 -0.266 25700 8893 1 16 . 1 1 59 59 ARG C C 59 176.396 176.396 176.173 0.223 25700 8894 1 16 . 1 1 59 59 ARG CA C 59 56.810 56.810 55.819 0.991 25700 8895 1 16 . 1 1 59 59 ARG CB C 59 30.906 30.906 30.594 0.312 25700 8896 1 16 . 1 1 59 59 ARG H H 59 8.486 8.486 8.620 -0.134 25700 8897 1 16 . 1 1 60 60 VAL N N 60 127.238 127.238 128.087 -0.849 25700 8898 1 16 . 1 1 60 60 VAL HA H 60 4.319 4.319 4.367 -0.048 25700 8899 1 16 . 1 1 60 60 VAL C C 60 174.543 174.543 174.933 -0.390 25700 8900 1 16 . 1 1 60 60 VAL CA C 60 61.227 61.227 61.243 -0.016 25700 8901 1 16 . 1 1 60 60 VAL CB C 60 34.177 34.177 34.150 0.027 25700 8902 1 16 . 1 1 60 60 VAL H H 60 9.033 9.033 9.182 -0.149 25700 8903 1 16 . 1 1 61 61 THR N N 61 120.913 120.913 124.138 -3.225 25700 8904 1 16 . 1 1 61 61 THR HA H 61 5.096 5.096 4.708 0.388 25700 8905 1 16 . 1 1 61 61 THR C C 61 174.645 174.645 173.900 0.745 25700 8906 1 16 . 1 1 61 61 THR CA C 61 60.686 60.686 61.918 -1.232 25700 8907 1 16 . 1 1 61 61 THR CB C 61 69.710 69.710 69.156 0.554 25700 8908 1 16 . 1 1 61 61 THR H H 61 8.340 8.340 8.641 -0.301 25700 8909 1 16 . 1 1 62 62 VAL N N 62 117.650 117.650 125.295 -7.645 25700 8910 1 16 . 1 1 62 62 VAL HA H 62 4.294 4.294 4.134 0.160 25700 8911 1 16 . 1 1 62 62 VAL C C 62 174.530 174.530 175.136 -0.606 25700 8912 1 16 . 1 1 62 62 VAL CA C 62 58.641 58.641 60.722 -2.081 25700 8913 1 16 . 1 1 62 62 VAL CB C 62 34.263 34.263 34.976 -0.713 25700 8914 1 16 . 1 1 62 62 VAL H H 62 8.658 8.658 9.001 -0.343 25700 8915 1 16 . 1 1 63 63 GLY N N 63 107.924 107.924 113.837 -5.913 25700 8916 1 16 . 1 1 63 63 GLY C C 63 172.475 172.475 173.942 -1.467 25700 8917 1 16 . 1 1 63 63 GLY CA C 63 43.668 43.668 44.922 -1.254 25700 8918 1 16 . 1 1 63 63 GLY H H 63 7.857 7.857 8.692 -0.835 25700 8919 1 16 . 1 1 64 64 ASN N N 64 116.073 116.073 120.592 -4.519 25700 8920 1 16 . 1 1 64 64 ASN HA H 64 4.530 4.530 5.032 -0.502 25700 8921 1 16 . 1 1 64 64 ASN C C 64 173.307 173.307 175.275 -1.968 25700 8922 1 16 . 1 1 64 64 ASN CA C 64 55.380 55.380 52.997 2.383 25700 8923 1 16 . 1 1 64 64 ASN CB C 64 39.159 39.159 38.825 0.334 25700 8924 1 16 . 1 1 64 64 ASN H H 64 8.933 8.933 8.112 0.821 25700 8925 1 16 . 1 1 65 65 VAL N N 65 126.612 126.612 121.466 5.146 25700 8926 1 16 . 1 1 65 65 VAL HA H 65 4.238 4.238 4.549 -0.311 25700 8927 1 16 . 1 1 65 65 VAL C C 65 173.538 173.538 173.999 -0.461 25700 8928 1 16 . 1 1 65 65 VAL CA C 65 61.970 61.970 59.883 2.087 25700 8929 1 16 . 1 1 65 65 VAL CB C 65 33.829 33.829 34.995 -1.166 25700 8930 1 16 . 1 1 65 65 VAL H H 65 8.548 8.548 8.946 -0.398 25700 8931 1 16 . 1 1 66 66 VAL N N 66 127.886 127.886 125.677 2.209 25700 8932 1 16 . 1 1 66 66 VAL HA H 66 4.990 4.990 4.591 0.399 25700 8933 1 16 . 1 1 66 66 VAL C C 66 175.271 175.271 175.878 -0.607 25700 8934 1 16 . 1 1 66 66 VAL CA C 66 61.360 61.360 61.518 -0.158 25700 8935 1 16 . 1 1 66 66 VAL CB C 66 32.923 32.923 32.531 0.392 25700 8936 1 16 . 1 1 66 66 VAL H H 66 8.364 8.364 8.365 -0.001 25700 8937 1 16 . 1 1 67 67 LEU N N 67 126.454 126.454 127.564 -1.110 25700 8938 1 16 . 1 1 67 67 LEU HA H 67 4.955 4.955 4.739 0.216 25700 8939 1 16 . 1 1 67 67 LEU C C 67 176.547 176.547 176.177 0.370 25700 8940 1 16 . 1 1 67 67 LEU CA C 67 52.492 52.492 52.145 0.346 25700 8941 1 16 . 1 1 67 67 LEU CB C 67 46.685 46.685 43.244 3.441 25700 8942 1 16 . 1 1 67 67 LEU H H 67 9.050 9.050 9.069 -0.019 25700 8943 1 16 . 1 1 68 68 ASP N N 68 119.799 119.799 119.009 0.790 25700 8944 1 16 . 1 1 68 68 ASP HA H 68 4.609 4.609 4.342 0.267 25700 8945 1 16 . 1 1 68 68 ASP C C 68 176.247 176.247 175.686 0.561 25700 8946 1 16 . 1 1 68 68 ASP CA C 68 55.492 55.492 53.513 1.979 25700 8947 1 16 . 1 1 68 68 ASP CB C 68 40.566 40.566 41.008 -0.442 25700 8948 1 16 . 1 1 68 68 ASP H H 68 8.722 8.722 8.627 0.095 25700 8949 1 16 . 1 1 69 69 TYR N N 69 123.398 123.398 126.417 -3.019 25700 8950 1 16 . 1 1 69 69 TYR HA H 69 4.651 4.651 4.432 0.219 25700 8951 1 16 . 1 1 69 69 TYR C C 69 174.253 174.253 173.844 0.409 25700 8952 1 16 . 1 1 69 69 TYR CA C 69 57.767 57.767 58.463 -0.696 25700 8953 1 16 . 1 1 69 69 TYR CB C 69 40.067 40.067 38.581 1.486 25700 8954 1 16 . 1 1 69 69 TYR H H 69 8.603 8.603 7.925 0.678 25700 8955 1 16 . 1 1 70 70 SER N N 70 121.308 121.308 122.947 -1.639 25700 8956 1 16 . 1 1 70 70 SER HA H 70 4.059 4.059 4.165 -0.106 25700 8957 1 16 . 1 1 70 70 SER C C 70 174.851 174.851 174.607 0.244 25700 8958 1 16 . 1 1 70 70 SER CA C 70 56.341 56.341 56.301 0.040 25700 8959 1 16 . 1 1 70 70 SER CB C 70 64.634 64.634 65.454 -0.820 25700 8960 1 16 . 1 1 70 70 SER H H 70 6.749 6.749 8.274 -1.525 25700 8961 1 16 . 1 1 71 71 SER N N 71 122.764 122.764 119.203 3.561 25700 8962 1 16 . 1 1 71 71 SER HA H 71 4.221 4.221 4.313 -0.092 25700 8963 1 16 . 1 1 71 71 SER C C 71 174.098 174.098 175.273 -1.175 25700 8964 1 16 . 1 1 71 71 SER CA C 71 60.326 60.326 60.721 -0.395 25700 8965 1 16 . 1 1 71 71 SER CB C 71 62.814 62.814 63.226 -0.412 25700 8966 1 16 . 1 1 71 71 SER H H 71 8.907 8.907 8.417 0.490 25700 8967 1 16 . 1 1 72 72 ALA N N 72 122.199 122.199 121.431 0.768 25700 8968 1 16 . 1 1 72 72 ALA HA H 72 4.320 4.320 4.409 -0.089 25700 8969 1 16 . 1 1 72 72 ALA C C 72 177.749 177.749 177.000 0.749 25700 8970 1 16 . 1 1 72 72 ALA CA C 72 52.283 52.283 51.590 0.693 25700 8971 1 16 . 1 1 72 72 ALA CB C 72 18.950 18.950 18.611 0.339 25700 8972 1 16 . 1 1 72 72 ALA H H 72 7.869 7.869 7.959 -0.090 25700 8973 1 16 . 1 1 73 73 ASN N N 73 116.297 116.297 117.396 -1.099 25700 8974 1 16 . 1 1 73 73 ASN HA H 73 5.076 5.076 4.571 0.505 25700 8975 1 16 . 1 1 73 73 ASN C C 73 173.794 173.794 174.585 -0.791 25700 8976 1 16 . 1 1 73 73 ASN CA C 73 51.612 51.612 52.448 -0.836 25700 8977 1 16 . 1 1 73 73 ASN CB C 73 40.647 40.647 39.535 1.113 25700 8978 1 16 . 1 1 73 73 ASN H H 73 7.265 7.265 7.550 -0.285 25700 8979 1 16 . 1 1 74 74 ARG N N 74 118.937 118.937 122.627 -3.690 25700 8980 1 16 . 1 1 74 74 ARG HA H 74 4.684 4.684 4.326 0.358 25700 8981 1 16 . 1 1 74 74 ARG C C 74 174.943 174.943 174.174 0.769 25700 8982 1 16 . 1 1 74 74 ARG CA C 74 54.523 54.523 54.726 -0.203 25700 8983 1 16 . 1 1 74 74 ARG CB C 74 32.331 32.331 29.253 3.078 25700 8984 1 16 . 1 1 74 74 ARG H H 74 8.529 8.529 8.178 0.351 25700 8985 1 16 . 1 1 75 75 TYR N N 75 122.282 122.282 124.386 -2.104 25700 8986 1 16 . 1 1 75 75 TYR HA H 75 5.159 5.159 5.315 -0.156 25700 8987 1 16 . 1 1 75 75 TYR C C 75 173.593 173.593 174.024 -0.431 25700 8988 1 16 . 1 1 75 75 TYR CA C 75 57.080 57.080 56.617 0.463 25700 8989 1 16 . 1 1 75 75 TYR CB C 75 41.202 41.202 40.810 0.392 25700 8990 1 16 . 1 1 75 75 TYR H H 75 8.691 8.691 8.078 0.613 25700 8991 1 16 . 1 1 76 76 ALA N N 76 122.606 122.606 124.478 -1.872 25700 8992 1 16 . 1 1 76 76 ALA HA H 76 4.788 4.788 4.884 -0.096 25700 8993 1 16 . 1 1 76 76 ALA C C 76 175.765 175.765 174.699 1.066 25700 8994 1 16 . 1 1 76 76 ALA CA C 76 50.543 50.543 50.036 0.507 25700 8995 1 16 . 1 1 76 76 ALA CB C 76 23.070 23.070 23.028 0.042 25700 8996 1 16 . 1 1 76 76 ALA H H 76 8.688 8.688 9.223 -0.535 25700 8997 1 16 . 1 1 77 77 ALA N N 77 119.325 119.325 120.839 -1.514 25700 8998 1 16 . 1 1 77 77 ALA HA H 77 5.488 5.488 5.500 -0.012 25700 8999 1 16 . 1 1 77 77 ALA C C 77 174.473 174.473 175.531 -1.058 25700 9000 1 16 . 1 1 77 77 ALA CA C 77 51.813 51.813 50.968 0.845 25700 9001 1 16 . 1 1 77 77 ALA CB C 77 24.137 24.137 22.877 1.260 25700 9002 1 16 . 1 1 77 77 ALA H H 77 8.584 8.584 8.211 0.373 25700 9003 1 16 . 1 1 78 78 ARG N N 78 122.822 122.822 118.596 4.226 25700 9004 1 16 . 1 1 78 78 ARG HA H 78 4.938 4.938 5.497 -0.559 25700 9005 1 16 . 1 1 78 78 ARG C C 78 173.170 173.170 173.880 -0.710 25700 9006 1 16 . 1 1 78 78 ARG CA C 78 54.890 54.890 55.278 -0.388 25700 9007 1 16 . 1 1 78 78 ARG CB C 78 34.467 34.467 32.867 1.600 25700 9008 1 16 . 1 1 78 78 ARG H H 78 8.807 8.807 9.148 -0.341 25700 9009 1 16 . 1 1 79 79 LEU N N 79 130.548 130.548 127.012 3.536 25700 9010 1 16 . 1 1 79 79 LEU HA H 79 5.440 5.440 5.297 0.143 25700 9011 1 16 . 1 1 79 79 LEU C C 79 173.434 173.434 174.582 -1.148 25700 9012 1 16 . 1 1 79 79 LEU CA C 79 53.186 53.186 53.297 -0.111 25700 9013 1 16 . 1 1 79 79 LEU CB C 79 45.369 45.369 45.672 -0.303 25700 9014 1 16 . 1 1 79 79 LEU H H 79 9.055 9.055 9.177 -0.122 25700 9015 1 16 . 1 1 80 80 ASP N N 80 125.928 125.928 127.457 -1.529 25700 9016 1 16 . 1 1 80 80 ASP HA H 80 5.480 5.480 5.506 -0.026 25700 9017 1 16 . 1 1 80 80 ASP C C 80 175.805 175.805 174.928 0.877 25700 9018 1 16 . 1 1 80 80 ASP CA C 80 53.794 53.794 52.849 0.945 25700 9019 1 16 . 1 1 80 80 ASP CB C 80 44.119 44.119 43.402 0.717 25700 9020 1 16 . 1 1 80 80 ASP H H 80 9.251 9.251 9.130 0.121 25700 9021 1 16 . 1 1 81 81 VAL N N 81 123.295 123.295 126.862 -3.567 25700 9022 1 16 . 1 1 81 81 VAL HA H 81 4.843 4.843 4.516 0.327 25700 9023 1 16 . 1 1 81 81 VAL C C 81 174.136 174.136 174.510 -0.374 25700 9024 1 16 . 1 1 81 81 VAL CA C 81 61.438 61.438 61.295 0.142 25700 9025 1 16 . 1 1 81 81 VAL CB C 81 35.299 35.299 32.232 3.067 25700 9026 1 16 . 1 1 81 81 VAL H H 81 8.947 8.947 8.865 0.082 25700 9027 1 16 . 1 1 82 82 SER N N 82 122.698 122.698 123.273 -0.575 25700 9028 1 16 . 1 1 82 82 SER HA H 82 5.380 5.380 5.361 0.019 25700 9029 1 16 . 1 1 82 82 SER C C 82 173.016 173.016 173.551 -0.535 25700 9030 1 16 . 1 1 82 82 SER CA C 82 57.195 57.195 56.741 0.454 25700 9031 1 16 . 1 1 82 82 SER CB C 82 64.477 64.477 64.324 0.153 25700 9032 1 16 . 1 1 82 82 SER H H 82 9.026 9.026 8.692 0.334 25700 9033 1 16 . 1 1 83 83 PHE N N 83 127.305 127.305 126.824 0.481 25700 9034 1 16 . 1 1 83 83 PHE HA H 83 4.781 4.781 4.746 0.035 25700 9035 1 16 . 1 1 83 83 PHE C C 83 174.741 174.741 175.115 -0.374 25700 9036 1 16 . 1 1 83 83 PHE CA C 83 57.376 57.376 58.264 -0.888 25700 9037 1 16 . 1 1 83 83 PHE CB C 83 42.094 42.094 40.981 1.113 25700 9038 1 16 . 1 1 83 83 PHE H H 83 9.012 9.012 8.805 0.207 25700 9039 1 16 . 1 1 84 84 GLY N N 84 117.337 117.337 116.346 0.991 25700 9040 1 16 . 1 1 84 84 GLY C C 84 175.295 175.295 175.033 0.262 25700 9041 1 16 . 1 1 84 84 GLY CA C 84 47.086 47.086 46.551 0.535 25700 9042 1 16 . 1 1 84 84 GLY H H 84 8.784 8.784 8.442 0.342 25700 9043 1 16 . 1 1 85 85 SER N N 85 120.553 120.553 119.498 1.055 25700 9044 1 16 . 1 1 85 85 SER HA H 85 4.383 4.383 4.487 -0.104 25700 9045 1 16 . 1 1 85 85 SER C C 85 173.796 173.796 174.619 -0.823 25700 9046 1 16 . 1 1 85 85 SER CA C 85 59.095 59.095 58.066 1.029 25700 9047 1 16 . 1 1 85 85 SER CB C 85 63.360 63.360 64.401 -1.041 25700 9048 1 16 . 1 1 85 85 SER H H 85 8.687 8.687 8.401 0.286 25700 9049 1 16 . 1 1 86 86 VAL N N 86 121.297 121.297 123.746 -2.449 25700 9050 1 16 . 1 1 86 86 VAL HA H 86 4.504 4.504 4.238 0.266 25700 9051 1 16 . 1 1 86 86 VAL C C 86 174.888 174.888 173.919 0.969 25700 9052 1 16 . 1 1 86 86 VAL CA C 86 61.610 61.610 62.254 -0.644 25700 9053 1 16 . 1 1 86 86 VAL CB C 86 34.210 34.210 33.462 0.748 25700 9054 1 16 . 1 1 86 86 VAL H H 86 7.963 7.963 7.739 0.224 25700 9055 1 16 . 1 1 87 87 THR N N 87 119.631 119.631 124.403 -4.772 25700 9056 1 16 . 1 1 87 87 THR HA H 87 5.551 5.551 5.407 0.144 25700 9057 1 16 . 1 1 87 87 THR C C 87 174.271 174.271 173.464 0.807 25700 9058 1 16 . 1 1 87 87 THR CA C 87 60.550 60.550 61.853 -1.303 25700 9059 1 16 . 1 1 87 87 THR CB C 87 71.350 71.350 69.766 1.584 25700 9060 1 16 . 1 1 87 87 THR H H 87 8.302 8.302 8.399 -0.097 25700 9061 1 16 . 1 1 88 88 ILE N N 88 118.811 118.811 122.097 -3.286 25700 9062 1 16 . 1 1 88 88 ILE HA H 88 4.858 4.858 4.809 0.049 25700 9063 1 16 . 1 1 88 88 ILE C C 88 174.300 174.300 173.210 1.090 25700 9064 1 16 . 1 1 88 88 ILE CA C 88 59.380 59.380 58.896 0.484 25700 9065 1 16 . 1 1 88 88 ILE CB C 88 43.170 43.170 42.122 1.048 25700 9066 1 16 . 1 1 88 88 ILE H H 88 8.986 8.986 8.790 0.196 25700 9067 1 16 . 1 1 89 89 GLN N N 89 120.806 120.806 117.665 3.141 25700 9068 1 16 . 1 1 89 89 GLN HA H 89 5.814 5.814 5.564 0.250 25700 9069 1 16 . 1 1 89 89 GLN C C 89 175.021 175.021 174.389 0.632 25700 9070 1 16 . 1 1 89 89 GLN CA C 89 54.171 54.171 54.315 -0.144 25700 9071 1 16 . 1 1 89 89 GLN CB C 89 34.262 34.262 32.671 1.591 25700 9072 1 16 . 1 1 89 89 GLN H H 89 8.481 8.481 8.178 0.303 25700 9073 1 16 . 1 1 90 90 CYS N N 90 118.531 118.531 120.682 -2.151 25700 9074 1 16 . 1 1 90 90 CYS HA H 90 5.010 5.010 4.852 0.158 25700 9075 1 16 . 1 1 90 90 CYS C C 90 172.402 172.402 172.902 -0.500 25700 9076 1 16 . 1 1 90 90 CYS CA C 90 54.874 54.874 57.750 -2.876 25700 9077 1 16 . 1 1 90 90 CYS CB C 90 50.267 50.267 31.319 18.948 25700 9078 1 16 . 1 1 90 90 CYS H H 90 9.151 9.151 8.882 0.269 25700 9079 1 16 . 1 1 91 91 ASN N N 91 116.449 116.449 119.559 -3.110 25700 9080 1 16 . 1 1 91 91 ASN HA H 91 5.615 5.615 5.502 0.113 25700 9081 1 16 . 1 1 91 91 ASN C C 91 174.994 174.994 173.818 1.176 25700 9082 1 16 . 1 1 91 91 ASN CA C 91 52.484 52.484 52.656 -0.172 25700 9083 1 16 . 1 1 91 91 ASN CB C 91 43.331 43.331 42.273 1.058 25700 9084 1 16 . 1 1 91 91 ASN H H 91 8.791 8.791 8.518 0.273 25700 9085 1 16 . 1 1 92 92 LEU N N 92 123.391 123.391 124.707 -1.316 25700 9086 1 16 . 1 1 92 92 LEU HA H 92 4.286 4.286 4.475 -0.189 25700 9087 1 16 . 1 1 92 92 LEU C C 92 176.188 176.188 175.909 0.279 25700 9088 1 16 . 1 1 92 92 LEU CA C 92 54.863 54.863 54.654 0.209 25700 9089 1 16 . 1 1 92 92 LEU CB C 92 45.064 45.064 43.525 1.539 25700 9090 1 16 . 1 1 92 92 LEU H H 92 8.597 8.597 8.859 -0.262 25700 9091 1 16 . 1 1 93 93 ASP N N 93 129.020 129.020 128.006 1.014 25700 9092 1 16 . 1 1 93 93 ASP HA H 93 5.160 5.160 4.953 0.207 25700 9093 1 16 . 1 1 93 93 ASP C C 93 175.761 175.761 175.669 0.092 25700 9094 1 16 . 1 1 93 93 ASP CA C 93 50.948 50.948 52.293 -1.345 25700 9095 1 16 . 1 1 93 93 ASP CB C 93 41.136 41.136 41.790 -0.654 25700 9096 1 16 . 1 1 93 93 ASP H H 93 9.146 9.146 8.636 0.510 25700 9097 1 16 . 1 1 94 94 PRO HA H 94 4.304 4.304 4.599 -0.295 25700 9098 1 16 . 1 1 94 94 PRO C C 94 178.637 178.637 177.808 0.829 25700 9099 1 16 . 1 1 94 94 PRO CA C 94 64.830 64.830 64.716 0.114 25700 9100 1 16 . 1 1 94 94 PRO CB C 94 32.579 32.579 32.196 0.383 25700 9101 1 16 . 1 1 95 95 GLU N N 95 116.747 116.747 116.632 0.115 25700 9102 1 16 . 1 1 95 95 GLU HA H 95 4.223 4.223 4.231 -0.008 25700 9103 1 16 . 1 1 95 95 GLU C C 95 177.994 177.994 177.439 0.555 25700 9104 1 16 . 1 1 95 95 GLU CA C 95 57.773 57.773 57.715 0.058 25700 9105 1 16 . 1 1 95 95 GLU CB C 95 29.084 29.084 29.071 0.013 25700 9106 1 16 . 1 1 95 95 GLU H H 95 8.358 8.358 8.669 -0.311 25700 9107 1 16 . 1 1 96 96 THR N N 96 109.182 109.182 109.381 -0.199 25700 9108 1 16 . 1 1 96 96 THR HA H 96 4.169 4.169 4.429 -0.260 25700 9109 1 16 . 1 1 96 96 THR C C 96 175.238 175.238 175.719 -0.481 25700 9110 1 16 . 1 1 96 96 THR CA C 96 63.038 63.038 63.297 -0.259 25700 9111 1 16 . 1 1 96 96 THR CB C 96 69.640 69.640 69.749 -0.109 25700 9112 1 16 . 1 1 96 96 THR H H 96 7.951 7.951 7.922 0.029 25700 9113 1 16 . 1 1 97 97 VAL N N 97 121.118 121.118 121.055 0.063 25700 9114 1 16 . 1 1 97 97 VAL HA H 97 3.770 3.770 3.742 0.028 25700 9115 1 16 . 1 1 97 97 VAL C C 97 174.851 174.851 176.715 -1.864 25700 9116 1 16 . 1 1 97 97 VAL CA C 97 63.272 63.272 65.183 -1.911 25700 9117 1 16 . 1 1 97 97 VAL CB C 97 30.627 30.627 31.508 -0.881 25700 9118 1 16 . 1 1 97 97 VAL H H 97 7.175 7.175 7.330 -0.155 25700 9119 1 16 . 1 1 98 98 LYS N N 98 123.245 123.245 118.807 4.438 25700 9120 1 16 . 1 1 98 98 LYS HA H 98 4.385 4.385 4.132 0.253 25700 9121 1 16 . 1 1 98 98 LYS C C 98 175.612 175.612 175.968 -0.356 25700 9122 1 16 . 1 1 98 98 LYS CA C 98 55.812 55.812 56.723 -0.911 25700 9123 1 16 . 1 1 98 98 LYS CB C 98 33.804 33.804 30.419 3.385 25700 9124 1 16 . 1 1 98 98 LYS H H 98 7.712 7.712 8.230 -0.518 25700 9125 1 16 . 1 1 99 99 LEU N N 99 122.457 122.457 119.144 3.313 25700 9126 1 16 . 1 1 99 99 LEU HA H 99 4.123 4.123 3.760 0.363 25700 9127 1 16 . 1 1 99 99 LEU C C 99 177.160 177.160 176.265 0.895 25700 9128 1 16 . 1 1 99 99 LEU CA C 99 55.309 55.309 55.352 -0.043 25700 9129 1 16 . 1 1 99 99 LEU CB C 99 42.319 42.319 38.910 3.409 25700 9130 1 16 . 1 1 99 99 LEU H H 99 8.110 8.110 8.508 -0.398 25700 9131 1 16 . 1 1 100 100 GLU N N 100 120.800 120.800 118.999 1.801 25700 9132 1 16 . 1 1 100 100 GLU HA H 100 4.151 4.151 4.227 -0.076 25700 9133 1 16 . 1 1 100 100 GLU C C 100 176.070 176.070 175.158 0.912 25700 9134 1 16 . 1 1 100 100 GLU CA C 100 56.740 56.740 56.064 0.676 25700 9135 1 16 . 1 1 100 100 GLU CB C 100 30.060 30.060 31.500 -1.440 25700 9136 1 16 . 1 1 100 100 GLU H H 100 8.340 8.340 7.511 0.829 25700 9137 1 17 . 1 1 2 2 VAL N N 2 123.080 123.080 119.870 3.210 25700 9138 1 17 . 1 1 2 2 VAL HA H 2 4.678 4.678 4.225 0.453 25700 9139 1 17 . 1 1 2 2 VAL C C 2 171.871 171.871 174.437 -2.566 25700 9140 1 17 . 1 1 2 2 VAL CA C 2 59.500 59.500 60.936 -1.436 25700 9141 1 17 . 1 1 2 2 VAL CB C 2 34.185 34.185 33.293 0.892 25700 9142 1 17 . 1 1 2 2 VAL H H 2 8.041 8.041 8.488 -0.447 25700 9143 1 17 . 1 1 3 3 GLN N N 3 123.080 123.080 122.844 0.236 25700 9144 1 17 . 1 1 3 3 GLN HA H 3 4.660 4.660 4.675 -0.015 25700 9145 1 17 . 1 1 3 3 GLN CA C 3 54.109 54.109 53.729 0.380 25700 9146 1 17 . 1 1 3 3 GLN CB C 3 33.338 33.338 33.035 0.303 25700 9147 1 17 . 1 1 3 3 GLN H H 3 8.126 8.126 8.761 -0.635 25700 9148 1 17 . 1 1 4 4 CYS N N 4 115.260 115.260 119.731 -4.471 25700 9149 1 17 . 1 1 4 4 CYS HA H 4 5.676 5.676 5.088 0.588 25700 9150 1 17 . 1 1 4 4 CYS C C 4 171.720 171.720 173.500 -1.780 25700 9151 1 17 . 1 1 4 4 CYS CA C 4 53.402 53.402 56.549 -3.147 25700 9152 1 17 . 1 1 4 4 CYS CB C 4 45.525 45.525 30.571 14.954 25700 9153 1 17 . 1 1 4 4 CYS H H 4 8.909 8.909 8.463 0.446 25700 9154 1 17 . 1 1 5 5 GLU N N 5 117.764 117.764 120.595 -2.831 25700 9155 1 17 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.722 -0.243 25700 9156 1 17 . 1 1 5 5 GLU C C 5 174.088 174.088 174.255 -0.167 25700 9157 1 17 . 1 1 5 5 GLU CA C 5 54.838 54.838 54.672 0.166 25700 9158 1 17 . 1 1 5 5 GLU CB C 5 34.155 34.155 34.070 0.085 25700 9159 1 17 . 1 1 5 5 GLU H H 5 8.580 8.580 8.512 0.068 25700 9160 1 17 . 1 1 6 6 VAL N N 6 120.471 120.471 115.988 4.483 25700 9161 1 17 . 1 1 6 6 VAL HA H 6 4.427 4.427 4.297 0.130 25700 9162 1 17 . 1 1 6 6 VAL C C 6 174.211 174.211 174.206 0.005 25700 9163 1 17 . 1 1 6 6 VAL CA C 6 61.540 61.540 61.003 0.537 25700 9164 1 17 . 1 1 6 6 VAL CB C 6 32.618 32.618 32.912 -0.294 25700 9165 1 17 . 1 1 6 6 VAL H H 6 8.588 8.588 8.200 0.388 25700 9166 1 17 . 1 1 7 7 GLU N N 7 125.816 125.816 126.339 -0.523 25700 9167 1 17 . 1 1 7 7 GLU HA H 7 4.548 4.548 4.775 -0.227 25700 9168 1 17 . 1 1 7 7 GLU C C 7 174.194 174.194 175.090 -0.896 25700 9169 1 17 . 1 1 7 7 GLU CA C 7 54.524 54.524 53.959 0.565 25700 9170 1 17 . 1 1 7 7 GLU CB C 7 33.291 33.291 33.256 0.035 25700 9171 1 17 . 1 1 7 7 GLU H H 7 8.820 8.820 8.047 0.773 25700 9172 1 17 . 1 1 8 8 ALA N N 8 122.882 122.882 122.971 -0.089 25700 9173 1 17 . 1 1 8 8 ALA HA H 8 5.238 5.238 4.635 0.603 25700 9174 1 17 . 1 1 8 8 ALA C C 8 175.557 175.557 175.555 0.002 25700 9175 1 17 . 1 1 8 8 ALA CA C 8 49.950 49.950 51.145 -1.195 25700 9176 1 17 . 1 1 8 8 ALA CB C 8 22.730 22.730 21.396 1.334 25700 9177 1 17 . 1 1 8 8 ALA H H 8 8.410 8.410 8.357 0.053 25700 9178 1 17 . 1 1 9 9 ALA N N 9 124.110 124.110 127.867 -3.757 25700 9179 1 17 . 1 1 9 9 ALA HA H 9 4.691 4.691 4.801 -0.110 25700 9180 1 17 . 1 1 9 9 ALA C C 9 176.300 176.300 175.802 0.498 25700 9181 1 17 . 1 1 9 9 ALA CA C 9 50.825 50.825 50.565 0.260 25700 9182 1 17 . 1 1 9 9 ALA CB C 9 21.240 21.240 20.602 0.638 25700 9183 1 17 . 1 1 9 9 ALA H H 9 8.407 8.407 9.118 -0.711 25700 9184 1 17 . 1 1 10 10 VAL N N 10 126.780 126.780 126.144 0.636 25700 9185 1 17 . 1 1 10 10 VAL HA H 10 4.379 4.379 4.033 0.346 25700 9186 1 17 . 1 1 10 10 VAL C C 10 175.717 175.717 175.654 0.063 25700 9187 1 17 . 1 1 10 10 VAL CA C 10 61.580 61.580 62.933 -1.353 25700 9188 1 17 . 1 1 10 10 VAL CB C 10 32.209 32.209 32.178 0.031 25700 9189 1 17 . 1 1 10 10 VAL H H 10 8.860 8.860 7.968 0.892 25700 9190 1 17 . 1 1 11 11 SER N N 11 120.868 120.868 124.409 -3.541 25700 9191 1 17 . 1 1 11 11 SER HA H 11 4.448 4.448 4.714 -0.266 25700 9192 1 17 . 1 1 11 11 SER C C 11 175.498 175.498 174.605 0.893 25700 9193 1 17 . 1 1 11 11 SER CA C 11 57.590 57.590 56.165 1.425 25700 9194 1 17 . 1 1 11 11 SER CB C 11 64.000 64.000 64.719 -0.719 25700 9195 1 17 . 1 1 11 11 SER H H 11 8.478 8.478 9.018 -0.540 25700 9196 1 17 . 1 1 12 12 GLY N N 12 116.896 116.896 107.203 9.693 25700 9197 1 17 . 1 1 12 12 GLY C C 12 174.994 174.994 174.748 0.246 25700 9198 1 17 . 1 1 12 12 GLY CA C 12 47.515 47.515 45.774 1.741 25700 9199 1 17 . 1 1 12 12 GLY H H 12 9.120 9.120 8.617 0.503 25700 9200 1 17 . 1 1 13 13 GLY N N 13 108.984 108.984 114.376 -5.392 25700 9201 1 17 . 1 1 13 13 GLY C C 13 174.440 174.440 173.503 0.937 25700 9202 1 17 . 1 1 13 13 GLY CA C 13 45.383 45.383 44.950 0.433 25700 9203 1 17 . 1 1 13 13 GLY H H 13 8.816 8.816 8.511 0.305 25700 9204 1 17 . 1 1 14 14 HIS N N 14 118.737 118.737 118.185 0.552 25700 9205 1 17 . 1 1 14 14 HIS HA H 14 5.458 5.458 5.417 0.041 25700 9206 1 17 . 1 1 14 14 HIS C C 14 172.243 172.243 173.462 -1.219 25700 9207 1 17 . 1 1 14 14 HIS CA C 14 54.905 54.905 55.220 -0.315 25700 9208 1 17 . 1 1 14 14 HIS CB C 14 32.311 32.311 33.846 -1.536 25700 9209 1 17 . 1 1 14 14 HIS H H 14 8.084 8.084 7.606 0.478 25700 9210 1 17 . 1 1 15 15 VAL N N 15 120.204 120.204 123.721 -3.517 25700 9211 1 17 . 1 1 15 15 VAL HA H 15 4.932 4.932 4.639 0.293 25700 9212 1 17 . 1 1 15 15 VAL C C 15 172.314 172.314 174.222 -1.908 25700 9213 1 17 . 1 1 15 15 VAL CA C 15 58.540 58.540 59.841 -1.301 25700 9214 1 17 . 1 1 15 15 VAL CB C 15 34.285 34.285 34.254 0.031 25700 9215 1 17 . 1 1 15 15 VAL H H 15 9.369 9.369 9.244 0.125 25700 9216 1 17 . 1 1 16 16 THR N N 16 123.685 123.685 126.729 -3.044 25700 9217 1 17 . 1 1 16 16 THR HA H 16 5.220 5.220 4.601 0.619 25700 9218 1 17 . 1 1 16 16 THR C C 16 174.478 174.478 172.783 1.695 25700 9219 1 17 . 1 1 16 16 THR CA C 16 61.481 61.481 62.630 -1.149 25700 9220 1 17 . 1 1 16 16 THR CB C 16 70.017 70.017 69.209 0.808 25700 9221 1 17 . 1 1 16 16 THR H H 16 8.604 8.604 9.163 -0.559 25700 9222 1 17 . 1 1 17 17 LEU N N 17 128.958 128.958 129.448 -0.490 25700 9223 1 17 . 1 1 17 17 LEU HA H 17 5.407 5.407 4.626 0.781 25700 9224 1 17 . 1 1 17 17 LEU C C 17 174.481 174.481 174.111 0.370 25700 9225 1 17 . 1 1 17 17 LEU CA C 17 53.999 53.999 53.953 0.046 25700 9226 1 17 . 1 1 17 17 LEU CB C 17 44.108 44.108 44.750 -0.642 25700 9227 1 17 . 1 1 17 17 LEU H H 17 9.627 9.627 9.190 0.437 25700 9228 1 17 . 1 1 18 18 GLN N N 18 115.227 115.227 120.905 -5.678 25700 9229 1 17 . 1 1 18 18 GLN HA H 18 4.465 4.465 4.964 -0.499 25700 9230 1 17 . 1 1 18 18 GLN C C 18 174.042 174.042 174.537 -0.495 25700 9231 1 17 . 1 1 18 18 GLN CA C 18 53.725 53.725 54.168 -0.443 25700 9232 1 17 . 1 1 18 18 GLN CB C 18 31.767 31.767 32.638 -0.871 25700 9233 1 17 . 1 1 18 18 GLN H H 18 8.243 8.243 8.299 -0.056 25700 9234 1 17 . 1 1 19 19 GLY N N 19 107.795 107.795 108.754 -0.959 25700 9235 1 17 . 1 1 19 19 GLY C C 19 172.005 172.005 173.098 -1.093 25700 9236 1 17 . 1 1 19 19 GLY CA C 19 44.485 44.485 43.834 0.651 25700 9237 1 17 . 1 1 19 19 GLY H H 19 9.100 9.100 9.045 0.055 25700 9238 1 17 . 1 1 20 20 VAL N N 20 120.951 120.951 126.879 -5.928 25700 9239 1 17 . 1 1 20 20 VAL HA H 20 4.634 4.634 4.094 0.540 25700 9240 1 17 . 1 1 20 20 VAL C C 20 175.670 175.670 175.421 0.249 25700 9241 1 17 . 1 1 20 20 VAL CA C 20 61.380 61.380 62.651 -1.271 25700 9242 1 17 . 1 1 20 20 VAL CB C 20 33.990 33.990 31.526 2.464 25700 9243 1 17 . 1 1 20 20 VAL H H 20 8.859 8.859 8.285 0.574 25700 9244 1 17 . 1 1 21 21 ILE N N 21 129.511 129.511 130.977 -1.466 25700 9245 1 17 . 1 1 21 21 ILE HA H 21 4.443 4.443 4.377 0.066 25700 9246 1 17 . 1 1 21 21 ILE C C 21 174.567 174.567 175.660 -1.093 25700 9247 1 17 . 1 1 21 21 ILE CA C 21 59.883 59.883 60.563 -0.680 25700 9248 1 17 . 1 1 21 21 ILE CB C 21 41.152 41.152 38.462 2.690 25700 9249 1 17 . 1 1 21 21 ILE H H 21 9.304 9.304 9.180 0.124 25700 9250 1 17 . 1 1 22 22 THR N N 22 120.311 120.311 125.775 -5.464 25700 9251 1 17 . 1 1 22 22 THR HA H 22 4.479 4.479 5.011 -0.532 25700 9252 1 17 . 1 1 22 22 THR C C 22 172.996 172.996 173.372 -0.376 25700 9253 1 17 . 1 1 22 22 THR CA C 22 61.647 61.647 62.456 -0.809 25700 9254 1 17 . 1 1 22 22 THR CB C 22 70.230 70.230 69.591 0.639 25700 9255 1 17 . 1 1 22 22 THR H H 22 8.063 8.063 8.414 -0.351 25700 9256 1 17 . 1 1 23 23 ALA N N 23 104.959 104.959 129.085 -24.126 25700 9257 1 17 . 1 1 23 23 ALA HA H 23 5.056 5.056 4.841 0.215 25700 9258 1 17 . 1 1 23 23 ALA C C 23 177.722 177.722 177.082 0.640 25700 9259 1 17 . 1 1 23 23 ALA CA C 23 49.963 49.963 50.114 -0.151 25700 9260 1 17 . 1 1 23 23 ALA CB C 23 22.915 22.915 21.077 1.838 25700 9261 1 17 . 1 1 23 23 ALA H H 23 9.764 9.764 8.688 1.076 25700 9262 1 17 . 1 1 24 24 VAL N N 24 113.370 113.370 122.317 -8.947 25700 9263 1 17 . 1 1 24 24 VAL HA H 24 4.083 4.083 3.954 0.129 25700 9264 1 17 . 1 1 24 24 VAL C C 24 174.539 174.539 175.221 -0.682 25700 9265 1 17 . 1 1 24 24 VAL CA C 24 62.339 62.339 64.007 -1.668 25700 9266 1 17 . 1 1 24 24 VAL CB C 24 31.933 31.933 31.813 0.120 25700 9267 1 17 . 1 1 24 24 VAL H H 24 8.239 8.239 8.080 0.159 25700 9268 1 17 . 1 1 25 25 ARG N N 25 116.002 116.002 118.176 -2.174 25700 9269 1 17 . 1 1 25 25 ARG HA H 25 4.740 4.740 4.563 0.177 25700 9270 1 17 . 1 1 25 25 ARG C C 25 172.797 172.797 174.958 -2.161 25700 9271 1 17 . 1 1 25 25 ARG CA C 25 53.284 53.284 53.955 -0.670 25700 9272 1 17 . 1 1 25 25 ARG CB C 25 33.542 33.542 32.689 0.853 25700 9273 1 17 . 1 1 25 25 ARG H H 25 7.308 7.308 7.764 -0.456 25700 9274 1 17 . 1 1 26 26 ASP N N 26 118.075 118.075 122.370 -4.295 25700 9275 1 17 . 1 1 26 26 ASP HA H 26 4.665 4.665 5.112 -0.447 25700 9276 1 17 . 1 1 26 26 ASP C C 26 177.721 177.721 176.096 1.625 25700 9277 1 17 . 1 1 26 26 ASP CA C 26 53.911 53.911 53.628 0.283 25700 9278 1 17 . 1 1 26 26 ASP CB C 26 41.143 41.143 41.814 -0.671 25700 9279 1 17 . 1 1 26 26 ASP H H 26 8.301 8.301 8.412 -0.111 25700 9280 1 17 . 1 1 27 27 GLY N N 27 106.966 106.966 109.114 -2.148 25700 9281 1 17 . 1 1 27 27 GLY C C 27 170.472 170.472 172.173 -1.701 25700 9282 1 17 . 1 1 27 27 GLY CA C 27 46.213 46.213 44.890 1.323 25700 9283 1 17 . 1 1 27 27 GLY H H 27 8.276 8.276 8.676 -0.400 25700 9284 1 17 . 1 1 28 28 ALA N N 28 122.805 122.805 123.513 -0.708 25700 9285 1 17 . 1 1 28 28 ALA HA H 28 4.898 4.898 5.009 -0.111 25700 9286 1 17 . 1 1 28 28 ALA C C 28 176.720 176.720 175.434 1.286 25700 9287 1 17 . 1 1 28 28 ALA CA C 28 50.756 50.756 50.974 -0.218 25700 9288 1 17 . 1 1 28 28 ALA CB C 28 21.482 21.482 21.870 -0.388 25700 9289 1 17 . 1 1 28 28 ALA H H 28 8.065 8.065 8.147 -0.082 25700 9290 1 17 . 1 1 29 29 GLY N N 29 106.538 106.538 106.016 0.522 25700 9291 1 17 . 1 1 29 29 GLY C C 29 172.866 172.866 170.682 2.184 25700 9292 1 17 . 1 1 29 29 GLY CA C 29 45.538 45.538 43.669 1.869 25700 9293 1 17 . 1 1 29 29 GLY H H 29 7.654 7.654 8.758 -1.104 25700 9294 1 17 . 1 1 30 30 SER N N 30 116.216 116.216 113.289 2.927 25700 9295 1 17 . 1 1 30 30 SER HA H 30 5.564 5.564 4.475 1.089 25700 9296 1 17 . 1 1 30 30 SER C C 30 172.216 172.216 172.551 -0.335 25700 9297 1 17 . 1 1 30 30 SER CA C 30 57.505 57.505 56.542 0.963 25700 9298 1 17 . 1 1 30 30 SER CB C 30 66.321 66.321 65.687 0.634 25700 9299 1 17 . 1 1 30 30 SER H H 30 9.185 9.185 7.696 1.489 25700 9300 1 17 . 1 1 31 31 TYR N N 31 118.467 118.467 116.875 1.592 25700 9301 1 17 . 1 1 31 31 TYR HA H 31 6.035 6.035 5.062 0.973 25700 9302 1 17 . 1 1 31 31 TYR C C 31 174.138 174.138 173.903 0.235 25700 9303 1 17 . 1 1 31 31 TYR CA C 31 55.806 55.806 56.367 -0.561 25700 9304 1 17 . 1 1 31 31 TYR CB C 31 43.091 43.091 41.485 1.606 25700 9305 1 17 . 1 1 31 31 TYR H H 31 9.215 9.215 8.570 0.645 25700 9306 1 17 . 1 1 32 32 LYS N N 32 121.086 121.086 120.277 0.809 25700 9307 1 17 . 1 1 32 32 LYS HA H 32 4.772 4.772 4.967 -0.195 25700 9308 1 17 . 1 1 32 32 LYS C C 32 173.750 173.750 174.304 -0.554 25700 9309 1 17 . 1 1 32 32 LYS CA C 32 56.495 56.495 55.237 1.258 25700 9310 1 17 . 1 1 32 32 LYS CB C 32 35.800 35.800 34.618 1.182 25700 9311 1 17 . 1 1 32 32 LYS H H 32 8.904 8.904 9.374 -0.470 25700 9312 1 17 . 1 1 33 33 LEU N N 33 128.296 128.296 127.210 1.086 25700 9313 1 17 . 1 1 33 33 LEU HA H 33 5.329 5.329 4.959 0.370 25700 9314 1 17 . 1 1 33 33 LEU C C 33 173.389 173.389 174.169 -0.780 25700 9315 1 17 . 1 1 33 33 LEU CA C 33 53.547 53.547 52.986 0.561 25700 9316 1 17 . 1 1 33 33 LEU CB C 33 45.460 45.460 44.559 0.901 25700 9317 1 17 . 1 1 33 33 LEU H H 33 9.663 9.663 9.014 0.649 25700 9318 1 17 . 1 1 34 34 ALA N N 34 129.791 129.791 130.544 -0.753 25700 9319 1 17 . 1 1 34 34 ALA HA H 34 5.419 5.419 5.027 0.392 25700 9320 1 17 . 1 1 34 34 ALA C C 34 176.313 176.313 175.260 1.053 25700 9321 1 17 . 1 1 34 34 ALA CA C 34 50.605 50.605 50.050 0.555 25700 9322 1 17 . 1 1 34 34 ALA CB C 34 21.237 21.237 22.126 -0.889 25700 9323 1 17 . 1 1 34 34 ALA H H 34 9.044 9.044 9.285 -0.241 25700 9324 1 17 . 1 1 35 35 VAL N N 35 124.532 124.532 123.946 0.586 25700 9325 1 17 . 1 1 35 35 VAL HA H 35 4.844 4.844 4.506 0.338 25700 9326 1 17 . 1 1 35 35 VAL C C 35 173.511 173.511 174.439 -0.928 25700 9327 1 17 . 1 1 35 35 VAL CA C 35 61.113 61.113 61.622 -0.509 25700 9328 1 17 . 1 1 35 35 VAL CB C 35 35.152 35.152 34.448 0.704 25700 9329 1 17 . 1 1 35 35 VAL H H 35 9.332 9.332 8.133 1.198 25700 9330 1 17 . 1 1 36 36 ASP N N 36 127.077 127.077 125.763 1.314 25700 9331 1 17 . 1 1 36 36 ASP HA H 36 5.560 5.560 5.447 0.113 25700 9332 1 17 . 1 1 36 36 ASP C C 36 174.146 174.146 175.169 -1.023 25700 9333 1 17 . 1 1 36 36 ASP CA C 36 53.219 53.219 52.838 0.381 25700 9334 1 17 . 1 1 36 36 ASP CB C 36 44.387 44.387 43.730 0.657 25700 9335 1 17 . 1 1 36 36 ASP H H 36 9.169 9.169 9.328 -0.159 25700 9336 1 17 . 1 1 37 37 LYS N N 37 122.568 122.568 125.508 -2.940 25700 9337 1 17 . 1 1 37 37 LYS HA H 37 4.673 4.673 5.274 -0.601 25700 9338 1 17 . 1 1 37 37 LYS C C 37 173.710 173.710 175.415 -1.705 25700 9339 1 17 . 1 1 37 37 LYS CA C 37 54.410 54.410 54.891 -0.481 25700 9340 1 17 . 1 1 37 37 LYS CB C 37 34.907 34.907 35.596 -0.689 25700 9341 1 17 . 1 1 37 37 LYS H H 37 8.665 8.665 9.135 -0.470 25700 9342 1 17 . 1 1 38 38 ALA N N 38 130.221 130.221 124.431 5.790 25700 9343 1 17 . 1 1 38 38 ALA HA H 38 4.983 4.983 5.142 -0.159 25700 9344 1 17 . 1 1 38 38 ALA C C 38 176.141 176.141 175.253 0.888 25700 9345 1 17 . 1 1 38 38 ALA CA C 38 51.093 51.093 51.366 -0.273 25700 9346 1 17 . 1 1 38 38 ALA CB C 38 21.778 21.778 21.330 0.448 25700 9347 1 17 . 1 1 38 38 ALA H H 38 8.798 8.798 9.026 -0.228 25700 9348 1 17 . 1 1 39 39 GLY N N 39 109.328 109.328 109.534 -0.206 25700 9349 1 17 . 1 1 39 39 GLY C C 39 174.208 174.208 174.292 -0.084 25700 9350 1 17 . 1 1 39 39 GLY CA C 39 44.645 44.645 44.358 0.287 25700 9351 1 17 . 1 1 39 39 GLY H H 39 7.851 7.851 8.356 -0.505 25700 9352 1 17 . 1 1 40 40 ALA N N 40 125.088 125.088 122.178 2.910 25700 9353 1 17 . 1 1 40 40 ALA HA H 40 4.051 4.051 4.074 -0.023 25700 9354 1 17 . 1 1 40 40 ALA C C 40 178.917 178.917 178.506 0.411 25700 9355 1 17 . 1 1 40 40 ALA CA C 40 54.841 54.841 54.495 0.346 25700 9356 1 17 . 1 1 40 40 ALA CB C 40 18.293 18.293 18.618 -0.325 25700 9357 1 17 . 1 1 40 40 ALA H H 40 8.766 8.766 8.426 0.340 25700 9358 1 17 . 1 1 41 41 ALA N N 41 117.569 117.569 119.990 -2.421 25700 9359 1 17 . 1 1 41 41 ALA HA H 41 4.419 4.419 4.395 0.024 25700 9360 1 17 . 1 1 41 41 ALA C C 41 177.136 177.136 177.758 -0.622 25700 9361 1 17 . 1 1 41 41 ALA CA C 41 51.929 51.929 51.353 0.576 25700 9362 1 17 . 1 1 41 41 ALA CB C 41 18.774 18.774 18.792 -0.018 25700 9363 1 17 . 1 1 41 41 ALA H H 41 8.300 8.300 8.087 0.213 25700 9364 1 17 . 1 1 42 42 GLY N N 42 106.796 106.796 107.386 -0.590 25700 9365 1 17 . 1 1 42 42 GLY C C 42 173.379 173.379 172.992 0.387 25700 9366 1 17 . 1 1 42 42 GLY CA C 42 44.336 44.336 44.472 -0.136 25700 9367 1 17 . 1 1 42 42 GLY H H 42 7.577 7.577 7.839 -0.262 25700 9368 1 17 . 1 1 43 43 THR N N 43 116.541 116.541 114.453 2.088 25700 9369 1 17 . 1 1 43 43 THR HA H 43 5.263 5.263 5.112 0.151 25700 9370 1 17 . 1 1 43 43 THR C C 43 174.244 174.244 173.985 0.259 25700 9371 1 17 . 1 1 43 43 THR CA C 43 61.137 61.137 60.929 0.208 25700 9372 1 17 . 1 1 43 43 THR CB C 43 70.759 70.759 69.855 0.904 25700 9373 1 17 . 1 1 43 43 THR H H 43 8.526 8.526 8.226 0.300 25700 9374 1 17 . 1 1 44 44 SER N N 44 120.903 120.903 120.636 0.267 25700 9375 1 17 . 1 1 44 44 SER HA H 44 4.759 4.759 4.735 0.024 25700 9376 1 17 . 1 1 44 44 SER C C 44 172.241 172.241 173.349 -1.108 25700 9377 1 17 . 1 1 44 44 SER CA C 44 57.340 57.340 57.200 0.140 25700 9378 1 17 . 1 1 44 44 SER CB C 44 65.568 65.568 66.792 -1.224 25700 9379 1 17 . 1 1 44 44 SER H H 44 8.904 8.904 8.888 0.016 25700 9380 1 17 . 1 1 45 45 ARG N N 45 124.546 124.546 123.426 1.120 25700 9381 1 17 . 1 1 45 45 ARG HA H 45 5.489 5.489 4.769 0.720 25700 9382 1 17 . 1 1 45 45 ARG C C 45 175.520 175.520 175.771 -0.251 25700 9383 1 17 . 1 1 45 45 ARG CA C 45 55.101 55.101 54.704 0.397 25700 9384 1 17 . 1 1 45 45 ARG CB C 45 32.760 32.760 31.392 1.368 25700 9385 1 17 . 1 1 45 45 ARG H H 45 8.579 8.579 8.566 0.013 25700 9386 1 17 . 1 1 46 46 ILE N N 46 127.920 127.920 125.121 2.799 25700 9387 1 17 . 1 1 46 46 ILE HA H 46 4.460 4.460 4.283 0.177 25700 9388 1 17 . 1 1 46 46 ILE C C 46 174.450 174.450 174.867 -0.417 25700 9389 1 17 . 1 1 46 46 ILE CA C 46 60.220 60.220 60.268 -0.048 25700 9390 1 17 . 1 1 46 46 ILE CB C 46 41.290 41.290 41.238 0.052 25700 9391 1 17 . 1 1 46 46 ILE H H 46 9.344 9.344 9.230 0.114 25700 9392 1 17 . 1 1 47 47 LYS N N 47 126.061 126.061 125.897 0.164 25700 9393 1 17 . 1 1 47 47 LYS HA H 47 5.514 5.514 4.636 0.878 25700 9394 1 17 . 1 1 47 47 LYS C C 47 175.790 175.790 175.089 0.701 25700 9395 1 17 . 1 1 47 47 LYS CA C 47 54.870 54.870 55.434 -0.563 25700 9396 1 17 . 1 1 47 47 LYS CB C 47 35.386 35.386 34.523 0.863 25700 9397 1 17 . 1 1 47 47 LYS H H 47 8.734 8.734 8.556 0.178 25700 9398 1 17 . 1 1 48 48 GLN N N 48 122.633 122.633 124.775 -2.142 25700 9399 1 17 . 1 1 48 48 GLN HA H 48 4.669 4.669 4.623 0.046 25700 9400 1 17 . 1 1 48 48 GLN C C 48 173.659 173.659 173.667 -0.008 25700 9401 1 17 . 1 1 48 48 GLN CA C 48 54.895 54.895 55.073 -0.178 25700 9402 1 17 . 1 1 48 48 GLN CB C 48 33.072 33.072 32.554 0.518 25700 9403 1 17 . 1 1 48 48 GLN H H 48 9.228 9.228 9.067 0.161 25700 9404 1 17 . 1 1 49 49 ALA N N 49 125.634 125.634 125.948 -0.314 25700 9405 1 17 . 1 1 49 49 ALA HA H 49 4.544 4.544 5.203 -0.659 25700 9406 1 17 . 1 1 49 49 ALA C C 49 175.881 175.881 176.092 -0.211 25700 9407 1 17 . 1 1 49 49 ALA CA C 49 50.993 50.993 51.337 -0.344 25700 9408 1 17 . 1 1 49 49 ALA CB C 49 22.620 22.620 21.450 1.170 25700 9409 1 17 . 1 1 49 49 ALA H H 49 8.557 8.557 8.474 0.083 25700 9410 1 17 . 1 1 50 50 GLY N N 50 105.483 105.483 109.699 -4.216 25700 9411 1 17 . 1 1 50 50 GLY C C 50 170.217 170.217 171.670 -1.453 25700 9412 1 17 . 1 1 50 50 GLY CA C 50 45.670 45.670 46.245 -0.576 25700 9413 1 17 . 1 1 50 50 GLY H H 50 6.865 6.865 8.597 -1.732 25700 9414 1 17 . 1 1 51 51 ALA N N 51 122.908 122.908 121.704 1.204 25700 9415 1 17 . 1 1 51 51 ALA HA H 51 5.265 5.265 4.721 0.544 25700 9416 1 17 . 1 1 51 51 ALA C C 51 176.793 176.793 175.131 1.662 25700 9417 1 17 . 1 1 51 51 ALA CA C 51 50.736 50.736 50.668 0.068 25700 9418 1 17 . 1 1 51 51 ALA CB C 51 21.840 21.840 21.797 0.043 25700 9419 1 17 . 1 1 51 51 ALA H H 51 8.522 8.522 8.072 0.450 25700 9420 1 17 . 1 1 52 52 PHE N N 52 115.156 115.156 118.293 -3.137 25700 9421 1 17 . 1 1 52 52 PHE HA H 52 5.106 5.106 4.846 0.260 25700 9422 1 17 . 1 1 52 52 PHE C C 52 172.832 172.832 173.544 -0.712 25700 9423 1 17 . 1 1 52 52 PHE CA C 52 56.890 56.890 57.550 -0.660 25700 9424 1 17 . 1 1 52 52 PHE CB C 52 42.428 42.428 42.605 -0.177 25700 9425 1 17 . 1 1 52 52 PHE H H 52 8.191 8.191 8.940 -0.749 25700 9426 1 17 . 1 1 53 53 THR N N 53 116.180 116.180 114.855 1.325 25700 9427 1 17 . 1 1 53 53 THR HA H 53 4.631 4.631 4.570 0.061 25700 9428 1 17 . 1 1 53 53 THR C C 53 172.769 172.769 172.846 -0.077 25700 9429 1 17 . 1 1 53 53 THR CA C 53 61.610 61.610 60.855 0.755 25700 9430 1 17 . 1 1 53 53 THR CB C 53 70.736 70.736 68.890 1.846 25700 9431 1 17 . 1 1 53 53 THR H H 53 8.650 8.650 6.748 1.902 25700 9432 1 17 . 1 1 54 54 ALA N N 54 127.969 127.969 128.630 -0.661 25700 9433 1 17 . 1 1 54 54 ALA HA H 54 4.748 4.748 4.777 -0.029 25700 9434 1 17 . 1 1 54 54 ALA C C 54 176.369 176.369 175.059 1.310 25700 9435 1 17 . 1 1 54 54 ALA CA C 54 51.397 51.397 50.396 1.001 25700 9436 1 17 . 1 1 54 54 ALA CB C 54 22.010 22.010 22.234 -0.224 25700 9437 1 17 . 1 1 54 54 ALA H H 54 9.353 9.353 8.548 0.805 25700 9438 1 17 . 1 1 55 55 ILE N N 55 123.326 123.326 121.221 2.105 25700 9439 1 17 . 1 1 55 55 ILE HA H 55 4.391 4.391 4.246 0.145 25700 9440 1 17 . 1 1 55 55 ILE C C 55 176.079 176.079 175.584 0.495 25700 9441 1 17 . 1 1 55 55 ILE CA C 55 59.138 59.138 59.926 -0.788 25700 9442 1 17 . 1 1 55 55 ILE CB C 55 39.451 39.451 40.557 -1.106 25700 9443 1 17 . 1 1 55 55 ILE H H 55 7.856 7.856 8.649 -0.793 25700 9444 1 17 . 1 1 56 56 ALA N N 56 130.280 130.280 128.352 1.928 25700 9445 1 17 . 1 1 56 56 ALA HA H 56 3.493 3.493 4.338 -0.845 25700 9446 1 17 . 1 1 56 56 ALA C C 56 177.405 177.405 177.633 -0.228 25700 9447 1 17 . 1 1 56 56 ALA CA C 56 54.156 54.156 52.295 1.861 25700 9448 1 17 . 1 1 56 56 ALA CB C 56 18.871 18.871 18.762 0.110 25700 9449 1 17 . 1 1 56 56 ALA H H 56 9.104 9.104 8.455 0.649 25700 9450 1 17 . 1 1 57 57 GLU N N 57 113.081 113.081 119.420 -6.339 25700 9451 1 17 . 1 1 57 57 GLU HA H 57 3.614 3.614 3.777 -0.163 25700 9452 1 17 . 1 1 57 57 GLU C C 57 174.959 174.959 175.117 -0.158 25700 9453 1 17 . 1 1 57 57 GLU CA C 57 58.080 58.080 57.423 0.657 25700 9454 1 17 . 1 1 57 57 GLU CB C 57 27.141 27.141 28.312 -1.171 25700 9455 1 17 . 1 1 57 57 GLU H H 57 9.007 9.007 8.938 0.069 25700 9456 1 17 . 1 1 58 58 GLN N N 58 119.796 119.796 117.967 1.829 25700 9457 1 17 . 1 1 58 58 GLN HA H 58 4.519 4.519 4.623 -0.104 25700 9458 1 17 . 1 1 58 58 GLN C C 58 175.217 175.217 174.651 0.566 25700 9459 1 17 . 1 1 58 58 GLN CA C 58 54.379 54.379 53.769 0.610 25700 9460 1 17 . 1 1 58 58 GLN CB C 58 30.102 30.102 31.625 -1.523 25700 9461 1 17 . 1 1 58 58 GLN H H 58 8.061 8.061 7.793 0.268 25700 9462 1 17 . 1 1 59 59 ARG N N 59 124.810 124.810 123.211 1.599 25700 9463 1 17 . 1 1 59 59 ARG HA H 59 4.286 4.286 4.481 -0.195 25700 9464 1 17 . 1 1 59 59 ARG C C 59 176.396 176.396 176.037 0.359 25700 9465 1 17 . 1 1 59 59 ARG CA C 59 56.810 56.810 55.517 1.293 25700 9466 1 17 . 1 1 59 59 ARG CB C 59 30.906 30.906 30.420 0.486 25700 9467 1 17 . 1 1 59 59 ARG H H 59 8.486 8.486 8.599 -0.113 25700 9468 1 17 . 1 1 60 60 VAL N N 60 127.238 127.238 128.760 -1.522 25700 9469 1 17 . 1 1 60 60 VAL HA H 60 4.319 4.319 4.366 -0.047 25700 9470 1 17 . 1 1 60 60 VAL C C 60 174.543 174.543 174.770 -0.227 25700 9471 1 17 . 1 1 60 60 VAL CA C 60 61.227 61.227 61.261 -0.034 25700 9472 1 17 . 1 1 60 60 VAL CB C 60 34.177 34.177 34.055 0.122 25700 9473 1 17 . 1 1 60 60 VAL H H 60 9.033 9.033 9.120 -0.087 25700 9474 1 17 . 1 1 61 61 THR N N 61 120.913 120.913 124.730 -3.817 25700 9475 1 17 . 1 1 61 61 THR HA H 61 5.096 5.096 4.663 0.433 25700 9476 1 17 . 1 1 61 61 THR C C 61 174.645 174.645 173.715 0.930 25700 9477 1 17 . 1 1 61 61 THR CA C 61 60.686 60.686 62.722 -2.036 25700 9478 1 17 . 1 1 61 61 THR CB C 61 69.710 69.710 69.404 0.306 25700 9479 1 17 . 1 1 61 61 THR H H 61 8.340 8.340 8.649 -0.309 25700 9480 1 17 . 1 1 62 62 VAL N N 62 117.650 117.650 126.725 -9.075 25700 9481 1 17 . 1 1 62 62 VAL HA H 62 4.294 4.294 4.097 0.197 25700 9482 1 17 . 1 1 62 62 VAL C C 62 174.530 174.530 174.856 -0.326 25700 9483 1 17 . 1 1 62 62 VAL CA C 62 58.641 58.641 60.762 -2.121 25700 9484 1 17 . 1 1 62 62 VAL CB C 62 34.263 34.263 34.978 -0.715 25700 9485 1 17 . 1 1 62 62 VAL H H 62 8.658 8.658 8.956 -0.298 25700 9486 1 17 . 1 1 63 63 GLY N N 63 107.924 107.924 113.217 -5.293 25700 9487 1 17 . 1 1 63 63 GLY C C 63 172.475 172.475 173.328 -0.853 25700 9488 1 17 . 1 1 63 63 GLY CA C 63 43.668 43.668 44.875 -1.207 25700 9489 1 17 . 1 1 63 63 GLY H H 63 7.857 7.857 8.395 -0.538 25700 9490 1 17 . 1 1 64 64 ASN N N 64 116.073 116.073 120.708 -4.635 25700 9491 1 17 . 1 1 64 64 ASN HA H 64 4.530 4.530 4.603 -0.073 25700 9492 1 17 . 1 1 64 64 ASN C C 64 173.307 173.307 174.689 -1.382 25700 9493 1 17 . 1 1 64 64 ASN CA C 64 55.380 55.380 53.239 2.141 25700 9494 1 17 . 1 1 64 64 ASN CB C 64 39.159 39.159 39.055 0.104 25700 9495 1 17 . 1 1 64 64 ASN H H 64 8.933 8.933 8.052 0.881 25700 9496 1 17 . 1 1 65 65 VAL N N 65 126.612 126.612 128.521 -1.909 25700 9497 1 17 . 1 1 65 65 VAL HA H 65 4.238 4.238 4.300 -0.062 25700 9498 1 17 . 1 1 65 65 VAL C C 65 173.538 173.538 174.414 -0.876 25700 9499 1 17 . 1 1 65 65 VAL CA C 65 61.970 61.970 60.826 1.144 25700 9500 1 17 . 1 1 65 65 VAL CB C 65 33.829 33.829 33.965 -0.136 25700 9501 1 17 . 1 1 65 65 VAL H H 65 8.548 8.548 8.708 -0.160 25700 9502 1 17 . 1 1 66 66 VAL N N 66 127.886 127.886 127.769 0.117 25700 9503 1 17 . 1 1 66 66 VAL HA H 66 4.990 4.990 4.527 0.463 25700 9504 1 17 . 1 1 66 66 VAL C C 66 175.271 175.271 175.711 -0.440 25700 9505 1 17 . 1 1 66 66 VAL CA C 66 61.360 61.360 61.866 -0.506 25700 9506 1 17 . 1 1 66 66 VAL CB C 66 32.923 32.923 32.404 0.519 25700 9507 1 17 . 1 1 66 66 VAL H H 66 8.364 8.364 8.385 -0.021 25700 9508 1 17 . 1 1 67 67 LEU N N 67 126.454 126.454 127.232 -0.778 25700 9509 1 17 . 1 1 67 67 LEU HA H 67 4.955 4.955 4.655 0.300 25700 9510 1 17 . 1 1 67 67 LEU C C 67 176.547 176.547 176.131 0.416 25700 9511 1 17 . 1 1 67 67 LEU CA C 67 52.492 52.492 51.797 0.695 25700 9512 1 17 . 1 1 67 67 LEU CB C 67 46.685 46.685 43.112 3.573 25700 9513 1 17 . 1 1 67 67 LEU H H 67 9.050 9.050 9.051 -0.001 25700 9514 1 17 . 1 1 68 68 ASP N N 68 119.799 119.799 119.194 0.605 25700 9515 1 17 . 1 1 68 68 ASP HA H 68 4.609 4.609 4.484 0.125 25700 9516 1 17 . 1 1 68 68 ASP C C 68 176.247 176.247 175.559 0.688 25700 9517 1 17 . 1 1 68 68 ASP CA C 68 55.492 55.492 53.754 1.738 25700 9518 1 17 . 1 1 68 68 ASP CB C 68 40.566 40.566 40.991 -0.425 25700 9519 1 17 . 1 1 68 68 ASP H H 68 8.722 8.722 8.669 0.053 25700 9520 1 17 . 1 1 69 69 TYR N N 69 123.398 123.398 125.879 -2.481 25700 9521 1 17 . 1 1 69 69 TYR HA H 69 4.651 4.651 4.481 0.170 25700 9522 1 17 . 1 1 69 69 TYR C C 69 174.253 174.253 174.242 0.011 25700 9523 1 17 . 1 1 69 69 TYR CA C 69 57.767 57.767 59.208 -1.441 25700 9524 1 17 . 1 1 69 69 TYR CB C 69 40.067 40.067 38.867 1.200 25700 9525 1 17 . 1 1 69 69 TYR H H 69 8.603 8.603 7.969 0.634 25700 9526 1 17 . 1 1 70 70 SER N N 70 121.308 121.308 122.001 -0.693 25700 9527 1 17 . 1 1 70 70 SER HA H 70 4.059 4.059 4.223 -0.164 25700 9528 1 17 . 1 1 70 70 SER C C 70 174.851 174.851 174.155 0.696 25700 9529 1 17 . 1 1 70 70 SER CA C 70 56.341 56.341 56.877 -0.536 25700 9530 1 17 . 1 1 70 70 SER CB C 70 64.634 64.634 65.489 -0.855 25700 9531 1 17 . 1 1 70 70 SER H H 70 6.749 6.749 8.233 -1.484 25700 9532 1 17 . 1 1 71 71 SER N N 71 122.764 122.764 120.656 2.108 25700 9533 1 17 . 1 1 71 71 SER HA H 71 4.221 4.221 4.250 -0.029 25700 9534 1 17 . 1 1 71 71 SER C C 71 174.098 174.098 175.459 -1.361 25700 9535 1 17 . 1 1 71 71 SER CA C 71 60.326 60.326 60.256 0.070 25700 9536 1 17 . 1 1 71 71 SER CB C 71 62.814 62.814 63.225 -0.411 25700 9537 1 17 . 1 1 71 71 SER H H 71 8.907 8.907 8.291 0.616 25700 9538 1 17 . 1 1 72 72 ALA N N 72 122.199 122.199 120.664 1.535 25700 9539 1 17 . 1 1 72 72 ALA HA H 72 4.320 4.320 4.419 -0.099 25700 9540 1 17 . 1 1 72 72 ALA C C 72 177.749 177.749 176.840 0.909 25700 9541 1 17 . 1 1 72 72 ALA CA C 72 52.283 52.283 51.520 0.763 25700 9542 1 17 . 1 1 72 72 ALA CB C 72 18.950 18.950 18.461 0.489 25700 9543 1 17 . 1 1 72 72 ALA H H 72 7.869 7.869 7.973 -0.104 25700 9544 1 17 . 1 1 73 73 ASN N N 73 116.297 116.297 116.977 -0.680 25700 9545 1 17 . 1 1 73 73 ASN HA H 73 5.076 5.076 4.451 0.625 25700 9546 1 17 . 1 1 73 73 ASN C C 73 173.794 173.794 174.916 -1.122 25700 9547 1 17 . 1 1 73 73 ASN CA C 73 51.612 51.612 53.117 -1.505 25700 9548 1 17 . 1 1 73 73 ASN CB C 73 40.647 40.647 39.009 1.638 25700 9549 1 17 . 1 1 73 73 ASN H H 73 7.265 7.265 7.482 -0.217 25700 9550 1 17 . 1 1 74 74 ARG N N 74 118.937 118.937 123.449 -4.512 25700 9551 1 17 . 1 1 74 74 ARG HA H 74 4.684 4.684 4.486 0.198 25700 9552 1 17 . 1 1 74 74 ARG C C 74 174.943 174.943 174.078 0.865 25700 9553 1 17 . 1 1 74 74 ARG CA C 74 54.523 54.523 54.193 0.330 25700 9554 1 17 . 1 1 74 74 ARG CB C 74 32.331 32.331 29.806 2.525 25700 9555 1 17 . 1 1 74 74 ARG H H 74 8.529 8.529 7.963 0.566 25700 9556 1 17 . 1 1 75 75 TYR N N 75 122.282 122.282 124.182 -1.900 25700 9557 1 17 . 1 1 75 75 TYR HA H 75 5.159 5.159 4.842 0.317 25700 9558 1 17 . 1 1 75 75 TYR C C 75 173.593 173.593 174.152 -0.559 25700 9559 1 17 . 1 1 75 75 TYR CA C 75 57.080 57.080 56.972 0.108 25700 9560 1 17 . 1 1 75 75 TYR CB C 75 41.202 41.202 41.146 0.056 25700 9561 1 17 . 1 1 75 75 TYR H H 75 8.691 8.691 8.498 0.193 25700 9562 1 17 . 1 1 76 76 ALA N N 76 122.606 122.606 124.515 -1.909 25700 9563 1 17 . 1 1 76 76 ALA HA H 76 4.788 4.788 4.872 -0.084 25700 9564 1 17 . 1 1 76 76 ALA C C 76 175.765 175.765 174.782 0.983 25700 9565 1 17 . 1 1 76 76 ALA CA C 76 50.543 50.543 49.932 0.611 25700 9566 1 17 . 1 1 76 76 ALA CB C 76 23.070 23.070 22.928 0.142 25700 9567 1 17 . 1 1 76 76 ALA H H 76 8.688 8.688 9.259 -0.571 25700 9568 1 17 . 1 1 77 77 ALA N N 77 119.325 119.325 120.698 -1.373 25700 9569 1 17 . 1 1 77 77 ALA HA H 77 5.488 5.488 5.406 0.082 25700 9570 1 17 . 1 1 77 77 ALA C C 77 174.473 174.473 175.633 -1.160 25700 9571 1 17 . 1 1 77 77 ALA CA C 77 51.813 51.813 51.060 0.753 25700 9572 1 17 . 1 1 77 77 ALA CB C 77 24.137 24.137 22.898 1.239 25700 9573 1 17 . 1 1 77 77 ALA H H 77 8.584 8.584 8.241 0.343 25700 9574 1 17 . 1 1 78 78 ARG N N 78 122.822 122.822 118.586 4.236 25700 9575 1 17 . 1 1 78 78 ARG HA H 78 4.938 4.938 5.526 -0.588 25700 9576 1 17 . 1 1 78 78 ARG C C 78 173.170 173.170 173.676 -0.506 25700 9577 1 17 . 1 1 78 78 ARG CA C 78 54.890 54.890 54.809 0.081 25700 9578 1 17 . 1 1 78 78 ARG CB C 78 34.467 34.467 32.508 1.959 25700 9579 1 17 . 1 1 78 78 ARG H H 78 8.807 8.807 9.205 -0.398 25700 9580 1 17 . 1 1 79 79 LEU N N 79 130.548 130.548 127.087 3.461 25700 9581 1 17 . 1 1 79 79 LEU HA H 79 5.440 5.440 5.241 0.199 25700 9582 1 17 . 1 1 79 79 LEU C C 79 173.434 173.434 174.534 -1.100 25700 9583 1 17 . 1 1 79 79 LEU CA C 79 53.186 53.186 53.381 -0.195 25700 9584 1 17 . 1 1 79 79 LEU CB C 79 45.369 45.369 45.760 -0.391 25700 9585 1 17 . 1 1 79 79 LEU H H 79 9.055 9.055 8.832 0.223 25700 9586 1 17 . 1 1 80 80 ASP N N 80 125.928 125.928 128.198 -2.270 25700 9587 1 17 . 1 1 80 80 ASP HA H 80 5.480 5.480 5.474 0.006 25700 9588 1 17 . 1 1 80 80 ASP C C 80 175.805 175.805 175.689 0.116 25700 9589 1 17 . 1 1 80 80 ASP CA C 80 53.794 53.794 54.257 -0.463 25700 9590 1 17 . 1 1 80 80 ASP CB C 80 44.119 44.119 42.580 1.539 25700 9591 1 17 . 1 1 80 80 ASP H H 80 9.251 9.251 9.233 0.018 25700 9592 1 17 . 1 1 81 81 VAL N N 81 123.295 123.295 126.678 -3.383 25700 9593 1 17 . 1 1 81 81 VAL HA H 81 4.843 4.843 4.408 0.435 25700 9594 1 17 . 1 1 81 81 VAL C C 81 174.136 174.136 174.600 -0.464 25700 9595 1 17 . 1 1 81 81 VAL CA C 81 61.438 61.438 61.968 -0.530 25700 9596 1 17 . 1 1 81 81 VAL CB C 81 35.299 35.299 32.738 2.561 25700 9597 1 17 . 1 1 81 81 VAL H H 81 8.947 8.947 8.886 0.061 25700 9598 1 17 . 1 1 82 82 SER N N 82 122.698 122.698 123.517 -0.819 25700 9599 1 17 . 1 1 82 82 SER HA H 82 5.380 5.380 5.533 -0.153 25700 9600 1 17 . 1 1 82 82 SER C C 82 173.016 173.016 172.948 0.068 25700 9601 1 17 . 1 1 82 82 SER CA C 82 57.195 57.195 57.055 0.140 25700 9602 1 17 . 1 1 82 82 SER CB C 82 64.477 64.477 64.662 -0.185 25700 9603 1 17 . 1 1 82 82 SER H H 82 9.026 9.026 8.828 0.198 25700 9604 1 17 . 1 1 83 83 PHE N N 83 127.305 127.305 129.599 -2.294 25700 9605 1 17 . 1 1 83 83 PHE HA H 83 4.781 4.781 4.915 -0.134 25700 9606 1 17 . 1 1 83 83 PHE C C 83 174.741 174.741 174.994 -0.253 25700 9607 1 17 . 1 1 83 83 PHE CA C 83 57.376 57.376 57.408 -0.032 25700 9608 1 17 . 1 1 83 83 PHE CB C 83 42.094 42.094 40.692 1.402 25700 9609 1 17 . 1 1 83 83 PHE H H 83 9.012 9.012 9.018 -0.006 25700 9610 1 17 . 1 1 84 84 GLY N N 84 117.337 117.337 117.457 -0.120 25700 9611 1 17 . 1 1 84 84 GLY C C 84 175.295 175.295 174.810 0.485 25700 9612 1 17 . 1 1 84 84 GLY CA C 84 47.086 47.086 46.134 0.952 25700 9613 1 17 . 1 1 84 84 GLY H H 84 8.784 8.784 8.555 0.229 25700 9614 1 17 . 1 1 85 85 SER N N 85 120.553 120.553 119.333 1.220 25700 9615 1 17 . 1 1 85 85 SER HA H 85 4.383 4.383 4.392 -0.009 25700 9616 1 17 . 1 1 85 85 SER C C 85 173.796 173.796 174.682 -0.886 25700 9617 1 17 . 1 1 85 85 SER CA C 85 59.095 59.095 58.404 0.691 25700 9618 1 17 . 1 1 85 85 SER CB C 85 63.360 63.360 63.681 -0.321 25700 9619 1 17 . 1 1 85 85 SER H H 85 8.687 8.687 8.347 0.340 25700 9620 1 17 . 1 1 86 86 VAL N N 86 121.297 121.297 122.485 -1.188 25700 9621 1 17 . 1 1 86 86 VAL HA H 86 4.504 4.504 4.324 0.180 25700 9622 1 17 . 1 1 86 86 VAL C C 86 174.888 174.888 173.918 0.970 25700 9623 1 17 . 1 1 86 86 VAL CA C 86 61.610 61.610 61.058 0.552 25700 9624 1 17 . 1 1 86 86 VAL CB C 86 34.210 34.210 32.880 1.330 25700 9625 1 17 . 1 1 86 86 VAL H H 86 7.963 7.963 7.281 0.682 25700 9626 1 17 . 1 1 87 87 THR N N 87 119.631 119.631 124.406 -4.775 25700 9627 1 17 . 1 1 87 87 THR HA H 87 5.551 5.551 5.393 0.158 25700 9628 1 17 . 1 1 87 87 THR C C 87 174.271 174.271 173.466 0.805 25700 9629 1 17 . 1 1 87 87 THR CA C 87 60.550 60.550 61.193 -0.643 25700 9630 1 17 . 1 1 87 87 THR CB C 87 71.350 71.350 70.000 1.350 25700 9631 1 17 . 1 1 87 87 THR H H 87 8.302 8.302 8.434 -0.132 25700 9632 1 17 . 1 1 88 88 ILE N N 88 118.811 118.811 122.143 -3.332 25700 9633 1 17 . 1 1 88 88 ILE HA H 88 4.858 4.858 4.791 0.067 25700 9634 1 17 . 1 1 88 88 ILE C C 88 174.300 174.300 173.352 0.948 25700 9635 1 17 . 1 1 88 88 ILE CA C 88 59.380 59.380 59.117 0.263 25700 9636 1 17 . 1 1 88 88 ILE CB C 88 43.170 43.170 42.463 0.707 25700 9637 1 17 . 1 1 88 88 ILE H H 88 8.986 8.986 8.777 0.209 25700 9638 1 17 . 1 1 89 89 GLN N N 89 120.806 120.806 118.791 2.015 25700 9639 1 17 . 1 1 89 89 GLN HA H 89 5.814 5.814 5.711 0.103 25700 9640 1 17 . 1 1 89 89 GLN C C 89 175.021 175.021 174.840 0.181 25700 9641 1 17 . 1 1 89 89 GLN CA C 89 54.171 54.171 54.522 -0.351 25700 9642 1 17 . 1 1 89 89 GLN CB C 89 34.262 34.262 32.620 1.642 25700 9643 1 17 . 1 1 89 89 GLN H H 89 8.481 8.481 8.356 0.125 25700 9644 1 17 . 1 1 90 90 CYS N N 90 118.531 118.531 118.456 0.075 25700 9645 1 17 . 1 1 90 90 CYS HA H 90 5.010 5.010 5.045 -0.035 25700 9646 1 17 . 1 1 90 90 CYS C C 90 172.402 172.402 172.931 -0.529 25700 9647 1 17 . 1 1 90 90 CYS CA C 90 54.874 54.874 56.806 -1.932 25700 9648 1 17 . 1 1 90 90 CYS CB C 90 50.267 50.267 31.312 18.955 25700 9649 1 17 . 1 1 90 90 CYS H H 90 9.151 9.151 8.983 0.168 25700 9650 1 17 . 1 1 91 91 ASN N N 91 116.449 116.449 117.813 -1.364 25700 9651 1 17 . 1 1 91 91 ASN HA H 91 5.615 5.615 5.560 0.055 25700 9652 1 17 . 1 1 91 91 ASN C C 91 174.994 174.994 174.281 0.713 25700 9653 1 17 . 1 1 91 91 ASN CA C 91 52.484 52.484 52.089 0.395 25700 9654 1 17 . 1 1 91 91 ASN CB C 91 43.331 43.331 41.163 2.168 25700 9655 1 17 . 1 1 91 91 ASN H H 91 8.791 8.791 8.231 0.560 25700 9656 1 17 . 1 1 92 92 LEU N N 92 123.391 123.391 122.617 0.774 25700 9657 1 17 . 1 1 92 92 LEU HA H 92 4.286 4.286 4.407 -0.121 25700 9658 1 17 . 1 1 92 92 LEU C C 92 176.188 176.188 176.549 -0.361 25700 9659 1 17 . 1 1 92 92 LEU CA C 92 54.863 54.863 54.849 0.014 25700 9660 1 17 . 1 1 92 92 LEU CB C 92 45.064 45.064 43.192 1.872 25700 9661 1 17 . 1 1 92 92 LEU H H 92 8.597 8.597 8.718 -0.121 25700 9662 1 17 . 1 1 93 93 ASP N N 93 129.020 129.020 127.596 1.424 25700 9663 1 17 . 1 1 93 93 ASP HA H 93 5.160 5.160 4.959 0.201 25700 9664 1 17 . 1 1 93 93 ASP C C 93 175.761 175.761 175.650 0.111 25700 9665 1 17 . 1 1 93 93 ASP CA C 93 50.948 50.948 52.184 -1.236 25700 9666 1 17 . 1 1 93 93 ASP CB C 93 41.136 41.136 41.462 -0.326 25700 9667 1 17 . 1 1 93 93 ASP H H 93 9.146 9.146 8.609 0.537 25700 9668 1 17 . 1 1 94 94 PRO HA H 94 4.304 4.304 4.600 -0.296 25700 9669 1 17 . 1 1 94 94 PRO C C 94 178.637 178.637 177.822 0.815 25700 9670 1 17 . 1 1 94 94 PRO CA C 94 64.830 64.830 64.897 -0.067 25700 9671 1 17 . 1 1 94 94 PRO CB C 94 32.579 32.579 32.215 0.364 25700 9672 1 17 . 1 1 95 95 GLU N N 95 116.747 116.747 115.935 0.812 25700 9673 1 17 . 1 1 95 95 GLU HA H 95 4.223 4.223 4.240 -0.017 25700 9674 1 17 . 1 1 95 95 GLU C C 95 177.994 177.994 177.747 0.247 25700 9675 1 17 . 1 1 95 95 GLU CA C 95 57.773 57.773 57.768 0.005 25700 9676 1 17 . 1 1 95 95 GLU CB C 95 29.084 29.084 29.245 -0.161 25700 9677 1 17 . 1 1 95 95 GLU H H 95 8.358 8.358 8.547 -0.189 25700 9678 1 17 . 1 1 96 96 THR N N 96 109.182 109.182 109.207 -0.025 25700 9679 1 17 . 1 1 96 96 THR HA H 96 4.169 4.169 4.453 -0.284 25700 9680 1 17 . 1 1 96 96 THR C C 96 175.238 175.238 175.082 0.156 25700 9681 1 17 . 1 1 96 96 THR CA C 96 63.038 63.038 62.978 0.060 25700 9682 1 17 . 1 1 96 96 THR CB C 96 69.640 69.640 69.962 -0.322 25700 9683 1 17 . 1 1 96 96 THR H H 96 7.951 7.951 8.079 -0.128 25700 9684 1 17 . 1 1 97 97 VAL N N 97 121.118 121.118 121.454 -0.336 25700 9685 1 17 . 1 1 97 97 VAL HA H 97 3.770 3.770 3.817 -0.047 25700 9686 1 17 . 1 1 97 97 VAL C C 97 174.851 174.851 176.125 -1.274 25700 9687 1 17 . 1 1 97 97 VAL CA C 97 63.272 63.272 64.451 -1.179 25700 9688 1 17 . 1 1 97 97 VAL CB C 97 30.627 30.627 31.419 -0.792 25700 9689 1 17 . 1 1 97 97 VAL H H 97 7.175 7.175 7.190 -0.015 25700 9690 1 17 . 1 1 98 98 LYS N N 98 123.245 123.245 120.970 2.275 25700 9691 1 17 . 1 1 98 98 LYS HA H 98 4.385 4.385 4.246 0.139 25700 9692 1 17 . 1 1 98 98 LYS C C 98 175.612 175.612 176.390 -0.778 25700 9693 1 17 . 1 1 98 98 LYS CA C 98 55.812 55.812 56.769 -0.957 25700 9694 1 17 . 1 1 98 98 LYS CB C 98 33.804 33.804 30.231 3.573 25700 9695 1 17 . 1 1 98 98 LYS H H 98 7.712 7.712 7.928 -0.216 25700 9696 1 17 . 1 1 99 99 LEU N N 99 122.457 122.457 119.664 2.793 25700 9697 1 17 . 1 1 99 99 LEU HA H 99 4.123 4.123 3.716 0.407 25700 9698 1 17 . 1 1 99 99 LEU C C 99 177.160 177.160 176.968 0.192 25700 9699 1 17 . 1 1 99 99 LEU CA C 99 55.309 55.309 58.549 -3.240 25700 9700 1 17 . 1 1 99 99 LEU CB C 99 42.319 42.319 40.589 1.730 25700 9701 1 17 . 1 1 99 99 LEU H H 99 8.110 8.110 9.278 -1.168 25700 9702 1 17 . 1 1 100 100 GLU N N 100 120.800 120.800 115.822 4.978 25700 9703 1 17 . 1 1 100 100 GLU HA H 100 4.151 4.151 4.293 -0.142 25700 9704 1 17 . 1 1 100 100 GLU C C 100 176.070 176.070 175.291 0.779 25700 9705 1 17 . 1 1 100 100 GLU CA C 100 56.740 56.740 56.762 -0.022 25700 9706 1 17 . 1 1 100 100 GLU CB C 100 30.060 30.060 31.009 -0.949 25700 9707 1 17 . 1 1 100 100 GLU H H 100 8.340 8.340 8.440 -0.100 25700 9708 1 18 . 1 1 2 2 VAL N N 2 123.080 123.080 126.417 -3.337 25700 9709 1 18 . 1 1 2 2 VAL HA H 2 4.678 4.678 4.165 0.513 25700 9710 1 18 . 1 1 2 2 VAL C C 2 171.871 171.871 175.113 -3.242 25700 9711 1 18 . 1 1 2 2 VAL CA C 2 59.500 59.500 62.040 -2.540 25700 9712 1 18 . 1 1 2 2 VAL CB C 2 34.185 34.185 32.840 1.345 25700 9713 1 18 . 1 1 2 2 VAL H H 2 8.041 8.041 8.649 -0.608 25700 9714 1 18 . 1 1 3 3 GLN N N 3 123.080 123.080 121.732 1.348 25700 9715 1 18 . 1 1 3 3 GLN HA H 3 4.660 4.660 4.730 -0.070 25700 9716 1 18 . 1 1 3 3 GLN CA C 3 54.109 54.109 52.776 1.333 25700 9717 1 18 . 1 1 3 3 GLN CB C 3 33.338 33.338 32.889 0.449 25700 9718 1 18 . 1 1 3 3 GLN H H 3 8.126 8.126 9.007 -0.881 25700 9719 1 18 . 1 1 4 4 CYS N N 4 115.260 115.260 115.513 -0.253 25700 9720 1 18 . 1 1 4 4 CYS HA H 4 5.676 5.676 5.114 0.562 25700 9721 1 18 . 1 1 4 4 CYS C C 4 171.720 171.720 173.592 -1.872 25700 9722 1 18 . 1 1 4 4 CYS CA C 4 53.402 53.402 56.813 -3.411 25700 9723 1 18 . 1 1 4 4 CYS CB C 4 45.525 45.525 31.320 14.205 25700 9724 1 18 . 1 1 4 4 CYS H H 4 8.909 8.909 8.642 0.267 25700 9725 1 18 . 1 1 5 5 GLU N N 5 117.764 117.764 119.674 -1.910 25700 9726 1 18 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.706 -0.227 25700 9727 1 18 . 1 1 5 5 GLU C C 5 174.088 174.088 173.983 0.105 25700 9728 1 18 . 1 1 5 5 GLU CA C 5 54.838 54.838 55.275 -0.437 25700 9729 1 18 . 1 1 5 5 GLU CB C 5 34.155 34.155 34.249 -0.094 25700 9730 1 18 . 1 1 5 5 GLU H H 5 8.580 8.580 8.666 -0.086 25700 9731 1 18 . 1 1 6 6 VAL N N 6 120.471 120.471 115.499 4.972 25700 9732 1 18 . 1 1 6 6 VAL HA H 6 4.427 4.427 4.416 0.011 25700 9733 1 18 . 1 1 6 6 VAL C C 6 174.211 174.211 174.972 -0.761 25700 9734 1 18 . 1 1 6 6 VAL CA C 6 61.540 61.540 60.480 1.060 25700 9735 1 18 . 1 1 6 6 VAL CB C 6 32.618 32.618 34.704 -2.086 25700 9736 1 18 . 1 1 6 6 VAL H H 6 8.588 8.588 8.176 0.412 25700 9737 1 18 . 1 1 7 7 GLU N N 7 125.816 125.816 124.969 0.847 25700 9738 1 18 . 1 1 7 7 GLU HA H 7 4.548 4.548 4.749 -0.201 25700 9739 1 18 . 1 1 7 7 GLU C C 7 174.194 174.194 174.441 -0.247 25700 9740 1 18 . 1 1 7 7 GLU CA C 7 54.524 54.524 54.557 -0.033 25700 9741 1 18 . 1 1 7 7 GLU CB C 7 33.291 33.291 34.200 -0.909 25700 9742 1 18 . 1 1 7 7 GLU H H 7 8.820 8.820 9.149 -0.329 25700 9743 1 18 . 1 1 8 8 ALA N N 8 122.882 122.882 124.633 -1.751 25700 9744 1 18 . 1 1 8 8 ALA HA H 8 5.238 5.238 4.705 0.533 25700 9745 1 18 . 1 1 8 8 ALA C C 8 175.557 175.557 175.295 0.262 25700 9746 1 18 . 1 1 8 8 ALA CA C 8 49.950 49.950 50.633 -0.683 25700 9747 1 18 . 1 1 8 8 ALA CB C 8 22.730 22.730 20.985 1.745 25700 9748 1 18 . 1 1 8 8 ALA H H 8 8.410 8.410 8.851 -0.441 25700 9749 1 18 . 1 1 9 9 ALA N N 9 124.110 124.110 127.691 -3.581 25700 9750 1 18 . 1 1 9 9 ALA HA H 9 4.691 4.691 4.713 -0.022 25700 9751 1 18 . 1 1 9 9 ALA C C 9 176.300 176.300 175.726 0.574 25700 9752 1 18 . 1 1 9 9 ALA CA C 9 50.825 50.825 50.287 0.538 25700 9753 1 18 . 1 1 9 9 ALA CB C 9 21.240 21.240 19.899 1.341 25700 9754 1 18 . 1 1 9 9 ALA H H 9 8.407 8.407 9.023 -0.616 25700 9755 1 18 . 1 1 10 10 VAL N N 10 126.780 126.780 125.771 1.009 25700 9756 1 18 . 1 1 10 10 VAL HA H 10 4.379 4.379 3.984 0.395 25700 9757 1 18 . 1 1 10 10 VAL C C 10 175.717 175.717 175.511 0.206 25700 9758 1 18 . 1 1 10 10 VAL CA C 10 61.580 61.580 62.788 -1.208 25700 9759 1 18 . 1 1 10 10 VAL CB C 10 32.209 32.209 32.312 -0.103 25700 9760 1 18 . 1 1 10 10 VAL H H 10 8.860 8.860 8.565 0.295 25700 9761 1 18 . 1 1 11 11 SER N N 11 120.868 120.868 123.383 -2.515 25700 9762 1 18 . 1 1 11 11 SER HA H 11 4.448 4.448 4.696 -0.248 25700 9763 1 18 . 1 1 11 11 SER C C 11 175.498 175.498 173.927 1.571 25700 9764 1 18 . 1 1 11 11 SER CA C 11 57.590 57.590 56.554 1.036 25700 9765 1 18 . 1 1 11 11 SER CB C 11 64.000 64.000 65.122 -1.122 25700 9766 1 18 . 1 1 11 11 SER H H 11 8.478 8.478 8.953 -0.475 25700 9767 1 18 . 1 1 12 12 GLY N N 12 116.896 116.896 108.615 8.281 25700 9768 1 18 . 1 1 12 12 GLY C C 12 174.994 174.994 174.680 0.314 25700 9769 1 18 . 1 1 12 12 GLY CA C 12 47.515 47.515 45.807 1.708 25700 9770 1 18 . 1 1 12 12 GLY H H 12 9.120 9.120 8.450 0.670 25700 9771 1 18 . 1 1 13 13 GLY N N 13 108.984 108.984 113.272 -4.288 25700 9772 1 18 . 1 1 13 13 GLY C C 13 174.440 174.440 173.476 0.964 25700 9773 1 18 . 1 1 13 13 GLY CA C 13 45.383 45.383 44.873 0.510 25700 9774 1 18 . 1 1 13 13 GLY H H 13 8.816 8.816 8.124 0.692 25700 9775 1 18 . 1 1 14 14 HIS N N 14 118.737 118.737 118.749 -0.012 25700 9776 1 18 . 1 1 14 14 HIS HA H 14 5.458 5.458 5.331 0.127 25700 9777 1 18 . 1 1 14 14 HIS C C 14 172.243 172.243 173.066 -0.823 25700 9778 1 18 . 1 1 14 14 HIS CA C 14 54.905 54.905 55.479 -0.574 25700 9779 1 18 . 1 1 14 14 HIS CB C 14 32.311 32.311 34.071 -1.760 25700 9780 1 18 . 1 1 14 14 HIS H H 14 8.084 8.084 7.501 0.583 25700 9781 1 18 . 1 1 15 15 VAL N N 15 120.204 120.204 122.959 -2.755 25700 9782 1 18 . 1 1 15 15 VAL HA H 15 4.932 4.932 4.731 0.201 25700 9783 1 18 . 1 1 15 15 VAL C C 15 172.314 172.314 174.142 -1.828 25700 9784 1 18 . 1 1 15 15 VAL CA C 15 58.540 58.540 60.158 -1.618 25700 9785 1 18 . 1 1 15 15 VAL CB C 15 34.285 34.285 34.402 -0.117 25700 9786 1 18 . 1 1 15 15 VAL H H 15 9.369 9.369 9.167 0.202 25700 9787 1 18 . 1 1 16 16 THR N N 16 123.685 123.685 126.624 -2.939 25700 9788 1 18 . 1 1 16 16 THR HA H 16 5.220 5.220 4.634 0.586 25700 9789 1 18 . 1 1 16 16 THR C C 16 174.478 174.478 172.885 1.593 25700 9790 1 18 . 1 1 16 16 THR CA C 16 61.481 61.481 62.471 -0.990 25700 9791 1 18 . 1 1 16 16 THR CB C 16 70.017 70.017 69.215 0.802 25700 9792 1 18 . 1 1 16 16 THR H H 16 8.604 8.604 9.159 -0.555 25700 9793 1 18 . 1 1 17 17 LEU N N 17 128.958 128.958 129.291 -0.333 25700 9794 1 18 . 1 1 17 17 LEU HA H 17 5.407 5.407 4.892 0.515 25700 9795 1 18 . 1 1 17 17 LEU C C 17 174.481 174.481 174.350 0.131 25700 9796 1 18 . 1 1 17 17 LEU CA C 17 53.999 53.999 53.842 0.157 25700 9797 1 18 . 1 1 17 17 LEU CB C 17 44.108 44.108 45.096 -0.988 25700 9798 1 18 . 1 1 17 17 LEU H H 17 9.627 9.627 9.221 0.406 25700 9799 1 18 . 1 1 18 18 GLN N N 18 115.227 115.227 121.205 -5.978 25700 9800 1 18 . 1 1 18 18 GLN HA H 18 4.465 4.465 5.467 -1.002 25700 9801 1 18 . 1 1 18 18 GLN C C 18 174.042 174.042 174.643 -0.601 25700 9802 1 18 . 1 1 18 18 GLN CA C 18 53.725 53.725 53.681 0.044 25700 9803 1 18 . 1 1 18 18 GLN CB C 18 31.767 31.767 34.364 -2.597 25700 9804 1 18 . 1 1 18 18 GLN H H 18 8.243 8.243 9.214 -0.971 25700 9805 1 18 . 1 1 19 19 GLY N N 19 107.795 107.795 107.279 0.516 25700 9806 1 18 . 1 1 19 19 GLY C C 19 172.005 172.005 172.467 -0.462 25700 9807 1 18 . 1 1 19 19 GLY CA C 19 44.485 44.485 43.832 0.653 25700 9808 1 18 . 1 1 19 19 GLY H H 19 9.100 9.100 8.916 0.184 25700 9809 1 18 . 1 1 20 20 VAL N N 20 120.951 120.951 127.292 -6.341 25700 9810 1 18 . 1 1 20 20 VAL HA H 20 4.634 4.634 4.047 0.587 25700 9811 1 18 . 1 1 20 20 VAL C C 20 175.670 175.670 175.486 0.184 25700 9812 1 18 . 1 1 20 20 VAL CA C 20 61.380 61.380 62.370 -0.989 25700 9813 1 18 . 1 1 20 20 VAL CB C 20 33.990 33.990 32.201 1.789 25700 9814 1 18 . 1 1 20 20 VAL H H 20 8.859 8.859 8.624 0.235 25700 9815 1 18 . 1 1 21 21 ILE N N 21 129.511 129.511 130.963 -1.452 25700 9816 1 18 . 1 1 21 21 ILE HA H 21 4.443 4.443 4.409 0.034 25700 9817 1 18 . 1 1 21 21 ILE C C 21 174.567 174.567 175.682 -1.115 25700 9818 1 18 . 1 1 21 21 ILE CA C 21 59.883 59.883 60.436 -0.553 25700 9819 1 18 . 1 1 21 21 ILE CB C 21 41.152 41.152 38.626 2.526 25700 9820 1 18 . 1 1 21 21 ILE H H 21 9.304 9.304 9.189 0.115 25700 9821 1 18 . 1 1 22 22 THR N N 22 120.311 120.311 125.694 -5.383 25700 9822 1 18 . 1 1 22 22 THR HA H 22 4.479 4.479 4.940 -0.461 25700 9823 1 18 . 1 1 22 22 THR C C 22 172.996 172.996 173.375 -0.379 25700 9824 1 18 . 1 1 22 22 THR CA C 22 61.647 61.647 62.687 -1.040 25700 9825 1 18 . 1 1 22 22 THR CB C 22 70.230 70.230 69.636 0.594 25700 9826 1 18 . 1 1 22 22 THR H H 22 8.063 8.063 8.422 -0.359 25700 9827 1 18 . 1 1 23 23 ALA N N 23 104.959 104.959 129.303 -24.344 25700 9828 1 18 . 1 1 23 23 ALA HA H 23 5.056 5.056 4.763 0.293 25700 9829 1 18 . 1 1 23 23 ALA C C 23 177.722 177.722 177.012 0.710 25700 9830 1 18 . 1 1 23 23 ALA CA C 23 49.963 49.963 50.230 -0.267 25700 9831 1 18 . 1 1 23 23 ALA CB C 23 22.915 22.915 21.250 1.665 25700 9832 1 18 . 1 1 23 23 ALA H H 23 9.764 9.764 8.813 0.951 25700 9833 1 18 . 1 1 24 24 VAL N N 24 113.370 113.370 122.034 -8.664 25700 9834 1 18 . 1 1 24 24 VAL HA H 24 4.083 4.083 3.988 0.095 25700 9835 1 18 . 1 1 24 24 VAL C C 24 174.539 174.539 175.146 -0.607 25700 9836 1 18 . 1 1 24 24 VAL CA C 24 62.339 62.339 63.682 -1.343 25700 9837 1 18 . 1 1 24 24 VAL CB C 24 31.933 31.933 31.521 0.412 25700 9838 1 18 . 1 1 24 24 VAL H H 24 8.239 8.239 8.214 0.025 25700 9839 1 18 . 1 1 25 25 ARG N N 25 116.002 116.002 118.434 -2.432 25700 9840 1 18 . 1 1 25 25 ARG HA H 25 4.740 4.740 4.536 0.204 25700 9841 1 18 . 1 1 25 25 ARG C C 25 172.797 172.797 174.560 -1.763 25700 9842 1 18 . 1 1 25 25 ARG CA C 25 53.284 53.284 54.122 -0.838 25700 9843 1 18 . 1 1 25 25 ARG CB C 25 33.542 33.542 32.819 0.723 25700 9844 1 18 . 1 1 25 25 ARG H H 25 7.308 7.308 7.759 -0.451 25700 9845 1 18 . 1 1 26 26 ASP N N 26 118.075 118.075 121.369 -3.294 25700 9846 1 18 . 1 1 26 26 ASP HA H 26 4.665 4.665 4.980 -0.315 25700 9847 1 18 . 1 1 26 26 ASP C C 26 177.721 177.721 176.031 1.690 25700 9848 1 18 . 1 1 26 26 ASP CA C 26 53.911 53.911 53.655 0.256 25700 9849 1 18 . 1 1 26 26 ASP CB C 26 41.143 41.143 41.778 -0.635 25700 9850 1 18 . 1 1 26 26 ASP H H 26 8.301 8.301 8.285 0.016 25700 9851 1 18 . 1 1 27 27 GLY N N 27 106.966 106.966 108.809 -1.843 25700 9852 1 18 . 1 1 27 27 GLY C C 27 170.472 170.472 172.094 -1.622 25700 9853 1 18 . 1 1 27 27 GLY CA C 27 46.213 46.213 45.148 1.065 25700 9854 1 18 . 1 1 27 27 GLY H H 27 8.276 8.276 8.939 -0.663 25700 9855 1 18 . 1 1 28 28 ALA N N 28 122.805 122.805 123.314 -0.509 25700 9856 1 18 . 1 1 28 28 ALA HA H 28 4.898 4.898 4.990 -0.092 25700 9857 1 18 . 1 1 28 28 ALA C C 28 176.720 176.720 175.662 1.058 25700 9858 1 18 . 1 1 28 28 ALA CA C 28 50.756 50.756 50.945 -0.189 25700 9859 1 18 . 1 1 28 28 ALA CB C 28 21.482 21.482 21.694 -0.212 25700 9860 1 18 . 1 1 28 28 ALA H H 28 8.065 8.065 8.154 -0.089 25700 9861 1 18 . 1 1 29 29 GLY N N 29 106.538 106.538 107.345 -0.807 25700 9862 1 18 . 1 1 29 29 GLY C C 29 172.866 172.866 170.882 1.984 25700 9863 1 18 . 1 1 29 29 GLY CA C 29 45.538 45.538 43.098 2.440 25700 9864 1 18 . 1 1 29 29 GLY H H 29 7.654 7.654 8.606 -0.952 25700 9865 1 18 . 1 1 30 30 SER N N 30 116.216 116.216 113.212 3.004 25700 9866 1 18 . 1 1 30 30 SER HA H 30 5.564 5.564 4.705 0.859 25700 9867 1 18 . 1 1 30 30 SER C C 30 172.216 172.216 172.563 -0.347 25700 9868 1 18 . 1 1 30 30 SER CA C 30 57.505 57.505 56.556 0.949 25700 9869 1 18 . 1 1 30 30 SER CB C 30 66.321 66.321 65.564 0.756 25700 9870 1 18 . 1 1 30 30 SER H H 30 9.185 9.185 7.744 1.441 25700 9871 1 18 . 1 1 31 31 TYR N N 31 118.467 118.467 117.043 1.424 25700 9872 1 18 . 1 1 31 31 TYR HA H 31 6.035 6.035 5.130 0.905 25700 9873 1 18 . 1 1 31 31 TYR C C 31 174.138 174.138 173.890 0.248 25700 9874 1 18 . 1 1 31 31 TYR CA C 31 55.806 55.806 56.376 -0.570 25700 9875 1 18 . 1 1 31 31 TYR CB C 31 43.091 43.091 41.703 1.388 25700 9876 1 18 . 1 1 31 31 TYR H H 31 9.215 9.215 8.887 0.328 25700 9877 1 18 . 1 1 32 32 LYS N N 32 121.086 121.086 120.476 0.610 25700 9878 1 18 . 1 1 32 32 LYS HA H 32 4.772 4.772 5.005 -0.233 25700 9879 1 18 . 1 1 32 32 LYS C C 32 173.750 173.750 174.381 -0.631 25700 9880 1 18 . 1 1 32 32 LYS CA C 32 56.495 56.495 55.177 1.318 25700 9881 1 18 . 1 1 32 32 LYS CB C 32 35.800 35.800 34.694 1.106 25700 9882 1 18 . 1 1 32 32 LYS H H 32 8.904 8.904 9.412 -0.508 25700 9883 1 18 . 1 1 33 33 LEU N N 33 128.296 128.296 127.225 1.071 25700 9884 1 18 . 1 1 33 33 LEU HA H 33 5.329 5.329 4.914 0.415 25700 9885 1 18 . 1 1 33 33 LEU C C 33 173.389 173.389 174.189 -0.800 25700 9886 1 18 . 1 1 33 33 LEU CA C 33 53.547 53.547 52.988 0.559 25700 9887 1 18 . 1 1 33 33 LEU CB C 33 45.460 45.460 44.430 1.030 25700 9888 1 18 . 1 1 33 33 LEU H H 33 9.663 9.663 9.082 0.581 25700 9889 1 18 . 1 1 34 34 ALA N N 34 129.791 129.791 130.225 -0.434 25700 9890 1 18 . 1 1 34 34 ALA HA H 34 5.419 5.419 5.263 0.156 25700 9891 1 18 . 1 1 34 34 ALA C C 34 176.313 176.313 175.610 0.703 25700 9892 1 18 . 1 1 34 34 ALA CA C 34 50.605 50.605 49.859 0.746 25700 9893 1 18 . 1 1 34 34 ALA CB C 34 21.237 21.237 22.149 -0.912 25700 9894 1 18 . 1 1 34 34 ALA H H 34 9.044 9.044 9.190 -0.146 25700 9895 1 18 . 1 1 35 35 VAL N N 35 124.532 124.532 122.979 1.553 25700 9896 1 18 . 1 1 35 35 VAL HA H 35 4.844 4.844 4.707 0.137 25700 9897 1 18 . 1 1 35 35 VAL C C 35 173.511 173.511 174.424 -0.913 25700 9898 1 18 . 1 1 35 35 VAL CA C 35 61.113 61.113 60.868 0.245 25700 9899 1 18 . 1 1 35 35 VAL CB C 35 35.152 35.152 34.900 0.252 25700 9900 1 18 . 1 1 35 35 VAL H H 35 9.332 9.332 8.477 0.855 25700 9901 1 18 . 1 1 36 36 ASP N N 36 127.077 127.077 126.311 0.766 25700 9902 1 18 . 1 1 36 36 ASP HA H 36 5.560 5.560 5.423 0.137 25700 9903 1 18 . 1 1 36 36 ASP C C 36 174.146 174.146 174.454 -0.308 25700 9904 1 18 . 1 1 36 36 ASP CA C 36 53.219 53.219 53.670 -0.451 25700 9905 1 18 . 1 1 36 36 ASP CB C 36 44.387 44.387 43.999 0.388 25700 9906 1 18 . 1 1 36 36 ASP H H 36 9.169 9.169 9.165 0.004 25700 9907 1 18 . 1 1 37 37 LYS N N 37 122.568 122.568 126.054 -3.486 25700 9908 1 18 . 1 1 37 37 LYS HA H 37 4.673 4.673 5.540 -0.867 25700 9909 1 18 . 1 1 37 37 LYS C C 37 173.710 173.710 174.430 -0.720 25700 9910 1 18 . 1 1 37 37 LYS CA C 37 54.410 54.410 54.425 -0.015 25700 9911 1 18 . 1 1 37 37 LYS CB C 37 34.907 34.907 36.208 -1.301 25700 9912 1 18 . 1 1 37 37 LYS H H 37 8.665 8.665 9.003 -0.338 25700 9913 1 18 . 1 1 38 38 ALA N N 38 130.221 130.221 128.137 2.084 25700 9914 1 18 . 1 1 38 38 ALA HA H 38 4.983 4.983 5.108 -0.125 25700 9915 1 18 . 1 1 38 38 ALA C C 38 176.141 176.141 174.977 1.164 25700 9916 1 18 . 1 1 38 38 ALA CA C 38 51.093 51.093 51.296 -0.203 25700 9917 1 18 . 1 1 38 38 ALA CB C 38 21.778 21.778 22.178 -0.400 25700 9918 1 18 . 1 1 38 38 ALA H H 38 8.798 8.798 9.040 -0.242 25700 9919 1 18 . 1 1 39 39 GLY N N 39 109.328 109.328 109.677 -0.349 25700 9920 1 18 . 1 1 39 39 GLY C C 39 174.208 174.208 174.085 0.123 25700 9921 1 18 . 1 1 39 39 GLY CA C 39 44.645 44.645 45.155 -0.510 25700 9922 1 18 . 1 1 39 39 GLY H H 39 7.851 7.851 8.179 -0.328 25700 9923 1 18 . 1 1 40 40 ALA N N 40 125.088 125.088 122.877 2.211 25700 9924 1 18 . 1 1 40 40 ALA HA H 40 4.051 4.051 4.130 -0.079 25700 9925 1 18 . 1 1 40 40 ALA C C 40 178.917 178.917 178.331 0.586 25700 9926 1 18 . 1 1 40 40 ALA CA C 40 54.841 54.841 55.008 -0.167 25700 9927 1 18 . 1 1 40 40 ALA CB C 40 18.293 18.293 18.754 -0.461 25700 9928 1 18 . 1 1 40 40 ALA H H 40 8.766 8.766 8.655 0.111 25700 9929 1 18 . 1 1 41 41 ALA N N 41 117.569 117.569 119.600 -2.031 25700 9930 1 18 . 1 1 41 41 ALA HA H 41 4.419 4.419 4.384 0.035 25700 9931 1 18 . 1 1 41 41 ALA C C 41 177.136 177.136 177.310 -0.174 25700 9932 1 18 . 1 1 41 41 ALA CA C 41 51.929 51.929 51.095 0.834 25700 9933 1 18 . 1 1 41 41 ALA CB C 41 18.774 18.774 18.624 0.150 25700 9934 1 18 . 1 1 41 41 ALA H H 41 8.300 8.300 8.027 0.273 25700 9935 1 18 . 1 1 42 42 GLY N N 42 106.796 106.796 106.708 0.088 25700 9936 1 18 . 1 1 42 42 GLY C C 42 173.379 173.379 172.601 0.778 25700 9937 1 18 . 1 1 42 42 GLY CA C 42 44.336 44.336 44.327 0.009 25700 9938 1 18 . 1 1 42 42 GLY H H 42 7.577 7.577 7.443 0.134 25700 9939 1 18 . 1 1 43 43 THR N N 43 116.541 116.541 111.929 4.612 25700 9940 1 18 . 1 1 43 43 THR HA H 43 5.263 5.263 4.996 0.267 25700 9941 1 18 . 1 1 43 43 THR C C 43 174.244 174.244 173.783 0.461 25700 9942 1 18 . 1 1 43 43 THR CA C 43 61.137 61.137 60.632 0.505 25700 9943 1 18 . 1 1 43 43 THR CB C 43 70.759 70.759 70.781 -0.022 25700 9944 1 18 . 1 1 43 43 THR H H 43 8.526 8.526 8.243 0.283 25700 9945 1 18 . 1 1 44 44 SER N N 44 120.903 120.903 119.859 1.044 25700 9946 1 18 . 1 1 44 44 SER HA H 44 4.759 4.759 4.752 0.007 25700 9947 1 18 . 1 1 44 44 SER C C 44 172.241 172.241 173.128 -0.887 25700 9948 1 18 . 1 1 44 44 SER CA C 44 57.340 57.340 56.906 0.434 25700 9949 1 18 . 1 1 44 44 SER CB C 44 65.568 65.568 65.033 0.535 25700 9950 1 18 . 1 1 44 44 SER H H 44 8.904 8.904 9.114 -0.210 25700 9951 1 18 . 1 1 45 45 ARG N N 45 124.546 124.546 127.694 -3.148 25700 9952 1 18 . 1 1 45 45 ARG HA H 45 5.489 5.489 4.642 0.847 25700 9953 1 18 . 1 1 45 45 ARG C C 45 175.520 175.520 175.456 0.064 25700 9954 1 18 . 1 1 45 45 ARG CA C 45 55.101 55.101 55.780 -0.679 25700 9955 1 18 . 1 1 45 45 ARG CB C 45 32.760 32.760 31.319 1.442 25700 9956 1 18 . 1 1 45 45 ARG H H 45 8.579 8.579 8.682 -0.103 25700 9957 1 18 . 1 1 46 46 ILE N N 46 127.920 127.920 127.611 0.309 25700 9958 1 18 . 1 1 46 46 ILE HA H 46 4.460 4.460 4.315 0.145 25700 9959 1 18 . 1 1 46 46 ILE C C 46 174.450 174.450 174.417 0.033 25700 9960 1 18 . 1 1 46 46 ILE CA C 46 60.220 60.220 60.637 -0.417 25700 9961 1 18 . 1 1 46 46 ILE CB C 46 41.290 41.290 41.065 0.225 25700 9962 1 18 . 1 1 46 46 ILE H H 46 9.344 9.344 8.835 0.509 25700 9963 1 18 . 1 1 47 47 LYS N N 47 126.061 126.061 127.161 -1.100 25700 9964 1 18 . 1 1 47 47 LYS HA H 47 5.514 5.514 4.800 0.714 25700 9965 1 18 . 1 1 47 47 LYS C C 47 175.790 175.790 175.118 0.672 25700 9966 1 18 . 1 1 47 47 LYS CA C 47 54.870 54.870 55.441 -0.570 25700 9967 1 18 . 1 1 47 47 LYS CB C 47 35.386 35.386 34.223 1.163 25700 9968 1 18 . 1 1 47 47 LYS H H 47 8.734 8.734 8.675 0.059 25700 9969 1 18 . 1 1 48 48 GLN N N 48 122.633 122.633 125.155 -2.522 25700 9970 1 18 . 1 1 48 48 GLN HA H 48 4.669 4.669 4.653 0.016 25700 9971 1 18 . 1 1 48 48 GLN C C 48 173.659 173.659 173.773 -0.114 25700 9972 1 18 . 1 1 48 48 GLN CA C 48 54.895 54.895 54.923 -0.028 25700 9973 1 18 . 1 1 48 48 GLN CB C 48 33.072 33.072 32.267 0.805 25700 9974 1 18 . 1 1 48 48 GLN H H 48 9.228 9.228 9.141 0.087 25700 9975 1 18 . 1 1 49 49 ALA N N 49 125.634 125.634 126.080 -0.446 25700 9976 1 18 . 1 1 49 49 ALA HA H 49 4.544 4.544 5.379 -0.835 25700 9977 1 18 . 1 1 49 49 ALA C C 49 175.881 175.881 176.272 -0.391 25700 9978 1 18 . 1 1 49 49 ALA CA C 49 50.993 50.993 51.130 -0.137 25700 9979 1 18 . 1 1 49 49 ALA CB C 49 22.620 22.620 21.551 1.069 25700 9980 1 18 . 1 1 49 49 ALA H H 49 8.557 8.557 8.544 0.013 25700 9981 1 18 . 1 1 50 50 GLY N N 50 105.483 105.483 108.646 -3.163 25700 9982 1 18 . 1 1 50 50 GLY C C 50 170.217 170.217 171.476 -1.259 25700 9983 1 18 . 1 1 50 50 GLY CA C 50 45.670 45.670 46.111 -0.441 25700 9984 1 18 . 1 1 50 50 GLY H H 50 6.865 6.865 8.349 -1.484 25700 9985 1 18 . 1 1 51 51 ALA N N 51 122.908 122.908 121.793 1.115 25700 9986 1 18 . 1 1 51 51 ALA HA H 51 5.265 5.265 4.954 0.311 25700 9987 1 18 . 1 1 51 51 ALA C C 51 176.793 176.793 175.348 1.445 25700 9988 1 18 . 1 1 51 51 ALA CA C 51 50.736 50.736 50.526 0.209 25700 9989 1 18 . 1 1 51 51 ALA CB C 51 21.840 21.840 21.406 0.434 25700 9990 1 18 . 1 1 51 51 ALA H H 51 8.522 8.522 8.168 0.354 25700 9991 1 18 . 1 1 52 52 PHE N N 52 115.156 115.156 122.312 -7.156 25700 9992 1 18 . 1 1 52 52 PHE HA H 52 5.106 5.106 4.934 0.172 25700 9993 1 18 . 1 1 52 52 PHE C C 52 172.832 172.832 173.908 -1.076 25700 9994 1 18 . 1 1 52 52 PHE CA C 52 56.890 56.890 56.255 0.634 25700 9995 1 18 . 1 1 52 52 PHE CB C 52 42.428 42.428 42.790 -0.362 25700 9996 1 18 . 1 1 52 52 PHE H H 52 8.191 8.191 8.754 -0.563 25700 9997 1 18 . 1 1 53 53 THR N N 53 116.180 116.180 114.493 1.687 25700 9998 1 18 . 1 1 53 53 THR HA H 53 4.631 4.631 4.531 0.100 25700 9999 1 18 . 1 1 53 53 THR C C 53 172.769 172.769 173.207 -0.438 25700 10000 1 18 . 1 1 53 53 THR CA C 53 61.610 61.610 60.843 0.767 25700 10001 1 18 . 1 1 53 53 THR CB C 53 70.736 70.736 68.657 2.079 25700 10002 1 18 . 1 1 53 53 THR H H 53 8.650 8.650 6.579 2.071 25700 10003 1 18 . 1 1 54 54 ALA N N 54 127.969 127.969 128.639 -0.670 25700 10004 1 18 . 1 1 54 54 ALA HA H 54 4.748 4.748 4.755 -0.007 25700 10005 1 18 . 1 1 54 54 ALA C C 54 176.369 176.369 174.791 1.578 25700 10006 1 18 . 1 1 54 54 ALA CA C 54 51.397 51.397 50.649 0.748 25700 10007 1 18 . 1 1 54 54 ALA CB C 54 22.010 22.010 22.358 -0.348 25700 10008 1 18 . 1 1 54 54 ALA H H 54 9.353 9.353 8.736 0.617 25700 10009 1 18 . 1 1 55 55 ILE N N 55 123.326 123.326 121.039 2.287 25700 10010 1 18 . 1 1 55 55 ILE HA H 55 4.391 4.391 4.369 0.022 25700 10011 1 18 . 1 1 55 55 ILE C C 55 176.079 176.079 175.488 0.591 25700 10012 1 18 . 1 1 55 55 ILE CA C 55 59.138 59.138 59.746 -0.608 25700 10013 1 18 . 1 1 55 55 ILE CB C 55 39.451 39.451 41.210 -1.759 25700 10014 1 18 . 1 1 55 55 ILE H H 55 7.856 7.856 8.556 -0.700 25700 10015 1 18 . 1 1 56 56 ALA N N 56 130.280 130.280 128.328 1.952 25700 10016 1 18 . 1 1 56 56 ALA HA H 56 3.493 3.493 4.342 -0.849 25700 10017 1 18 . 1 1 56 56 ALA C C 56 177.405 177.405 177.760 -0.355 25700 10018 1 18 . 1 1 56 56 ALA CA C 56 54.156 54.156 52.499 1.657 25700 10019 1 18 . 1 1 56 56 ALA CB C 56 18.871 18.871 18.812 0.059 25700 10020 1 18 . 1 1 56 56 ALA H H 56 9.104 9.104 8.480 0.624 25700 10021 1 18 . 1 1 57 57 GLU N N 57 113.081 113.081 119.126 -6.045 25700 10022 1 18 . 1 1 57 57 GLU HA H 57 3.614 3.614 3.775 -0.161 25700 10023 1 18 . 1 1 57 57 GLU C C 57 174.959 174.959 175.258 -0.299 25700 10024 1 18 . 1 1 57 57 GLU CA C 57 58.080 58.080 57.535 0.545 25700 10025 1 18 . 1 1 57 57 GLU CB C 57 27.141 27.141 28.177 -1.036 25700 10026 1 18 . 1 1 57 57 GLU H H 57 9.007 9.007 8.824 0.183 25700 10027 1 18 . 1 1 58 58 GLN N N 58 119.796 119.796 116.765 3.031 25700 10028 1 18 . 1 1 58 58 GLN HA H 58 4.519 4.519 4.663 -0.144 25700 10029 1 18 . 1 1 58 58 GLN C C 58 175.217 175.217 174.358 0.859 25700 10030 1 18 . 1 1 58 58 GLN CA C 58 54.379 54.379 53.944 0.435 25700 10031 1 18 . 1 1 58 58 GLN CB C 58 30.102 30.102 31.849 -1.747 25700 10032 1 18 . 1 1 58 58 GLN H H 58 8.061 8.061 7.771 0.290 25700 10033 1 18 . 1 1 59 59 ARG N N 59 124.810 124.810 122.460 2.350 25700 10034 1 18 . 1 1 59 59 ARG HA H 59 4.286 4.286 4.475 -0.189 25700 10035 1 18 . 1 1 59 59 ARG C C 59 176.396 176.396 176.037 0.359 25700 10036 1 18 . 1 1 59 59 ARG CA C 59 56.810 56.810 55.189 1.621 25700 10037 1 18 . 1 1 59 59 ARG CB C 59 30.906 30.906 30.323 0.583 25700 10038 1 18 . 1 1 59 59 ARG H H 59 8.486 8.486 8.692 -0.206 25700 10039 1 18 . 1 1 60 60 VAL N N 60 127.238 127.238 128.919 -1.681 25700 10040 1 18 . 1 1 60 60 VAL HA H 60 4.319 4.319 4.354 -0.035 25700 10041 1 18 . 1 1 60 60 VAL C C 60 174.543 174.543 174.703 -0.160 25700 10042 1 18 . 1 1 60 60 VAL CA C 60 61.227 61.227 61.022 0.205 25700 10043 1 18 . 1 1 60 60 VAL CB C 60 34.177 34.177 33.982 0.195 25700 10044 1 18 . 1 1 60 60 VAL H H 60 9.033 9.033 9.172 -0.139 25700 10045 1 18 . 1 1 61 61 THR N N 61 120.913 120.913 123.843 -2.930 25700 10046 1 18 . 1 1 61 61 THR HA H 61 5.096 5.096 4.682 0.414 25700 10047 1 18 . 1 1 61 61 THR C C 61 174.645 174.645 173.849 0.796 25700 10048 1 18 . 1 1 61 61 THR CA C 61 60.686 60.686 62.560 -1.875 25700 10049 1 18 . 1 1 61 61 THR CB C 61 69.710 69.710 69.298 0.412 25700 10050 1 18 . 1 1 61 61 THR H H 61 8.340 8.340 8.574 -0.234 25700 10051 1 18 . 1 1 62 62 VAL N N 62 117.650 117.650 126.439 -8.789 25700 10052 1 18 . 1 1 62 62 VAL HA H 62 4.294 4.294 4.130 0.164 25700 10053 1 18 . 1 1 62 62 VAL C C 62 174.530 174.530 175.151 -0.621 25700 10054 1 18 . 1 1 62 62 VAL CA C 62 58.641 58.641 60.749 -2.108 25700 10055 1 18 . 1 1 62 62 VAL CB C 62 34.263 34.263 35.036 -0.773 25700 10056 1 18 . 1 1 62 62 VAL H H 62 8.658 8.658 8.924 -0.266 25700 10057 1 18 . 1 1 63 63 GLY N N 63 107.924 107.924 112.908 -4.984 25700 10058 1 18 . 1 1 63 63 GLY C C 63 172.475 172.475 172.966 -0.491 25700 10059 1 18 . 1 1 63 63 GLY CA C 63 43.668 43.668 44.693 -1.025 25700 10060 1 18 . 1 1 63 63 GLY H H 63 7.857 7.857 8.592 -0.735 25700 10061 1 18 . 1 1 64 64 ASN N N 64 116.073 116.073 120.939 -4.866 25700 10062 1 18 . 1 1 64 64 ASN HA H 64 4.530 4.530 4.599 -0.069 25700 10063 1 18 . 1 1 64 64 ASN C C 64 173.307 173.307 174.422 -1.115 25700 10064 1 18 . 1 1 64 64 ASN CA C 64 55.380 55.380 53.156 2.224 25700 10065 1 18 . 1 1 64 64 ASN CB C 64 39.159 39.159 39.304 -0.145 25700 10066 1 18 . 1 1 64 64 ASN H H 64 8.933 8.933 8.191 0.742 25700 10067 1 18 . 1 1 65 65 VAL N N 65 126.612 126.612 127.025 -0.413 25700 10068 1 18 . 1 1 65 65 VAL HA H 65 4.238 4.238 4.293 -0.055 25700 10069 1 18 . 1 1 65 65 VAL C C 65 173.538 173.538 174.441 -0.903 25700 10070 1 18 . 1 1 65 65 VAL CA C 65 61.970 61.970 60.989 0.981 25700 10071 1 18 . 1 1 65 65 VAL CB C 65 33.829 33.829 33.930 -0.101 25700 10072 1 18 . 1 1 65 65 VAL H H 65 8.548 8.548 8.586 -0.038 25700 10073 1 18 . 1 1 66 66 VAL N N 66 127.886 127.886 127.496 0.390 25700 10074 1 18 . 1 1 66 66 VAL HA H 66 4.990 4.990 4.499 0.491 25700 10075 1 18 . 1 1 66 66 VAL C C 66 175.271 175.271 175.683 -0.412 25700 10076 1 18 . 1 1 66 66 VAL CA C 66 61.360 61.360 61.036 0.324 25700 10077 1 18 . 1 1 66 66 VAL CB C 66 32.923 32.923 31.590 1.333 25700 10078 1 18 . 1 1 66 66 VAL H H 66 8.364 8.364 8.313 0.051 25700 10079 1 18 . 1 1 67 67 LEU N N 67 126.454 126.454 127.836 -1.382 25700 10080 1 18 . 1 1 67 67 LEU HA H 67 4.955 4.955 4.745 0.210 25700 10081 1 18 . 1 1 67 67 LEU C C 67 176.547 176.547 176.577 -0.030 25700 10082 1 18 . 1 1 67 67 LEU CA C 67 52.492 52.492 51.861 0.631 25700 10083 1 18 . 1 1 67 67 LEU CB C 67 46.685 46.685 43.193 3.492 25700 10084 1 18 . 1 1 67 67 LEU H H 67 9.050 9.050 9.026 0.024 25700 10085 1 18 . 1 1 68 68 ASP N N 68 119.799 119.799 118.947 0.852 25700 10086 1 18 . 1 1 68 68 ASP HA H 68 4.609 4.609 4.657 -0.048 25700 10087 1 18 . 1 1 68 68 ASP C C 68 176.247 176.247 175.628 0.619 25700 10088 1 18 . 1 1 68 68 ASP CA C 68 55.492 55.492 53.944 1.548 25700 10089 1 18 . 1 1 68 68 ASP CB C 68 40.566 40.566 41.597 -1.031 25700 10090 1 18 . 1 1 68 68 ASP H H 68 8.722 8.722 8.674 0.048 25700 10091 1 18 . 1 1 69 69 TYR N N 69 123.398 123.398 125.442 -2.044 25700 10092 1 18 . 1 1 69 69 TYR HA H 69 4.651 4.651 4.686 -0.035 25700 10093 1 18 . 1 1 69 69 TYR C C 69 174.253 174.253 174.131 0.122 25700 10094 1 18 . 1 1 69 69 TYR CA C 69 57.767 57.767 58.115 -0.348 25700 10095 1 18 . 1 1 69 69 TYR CB C 69 40.067 40.067 39.034 1.033 25700 10096 1 18 . 1 1 69 69 TYR H H 69 8.603 8.603 7.970 0.633 25700 10097 1 18 . 1 1 70 70 SER N N 70 121.308 121.308 122.636 -1.328 25700 10098 1 18 . 1 1 70 70 SER HA H 70 4.059 4.059 4.085 -0.026 25700 10099 1 18 . 1 1 70 70 SER C C 70 174.851 174.851 174.485 0.366 25700 10100 1 18 . 1 1 70 70 SER CA C 70 56.341 56.341 56.519 -0.178 25700 10101 1 18 . 1 1 70 70 SER CB C 70 64.634 64.634 65.265 -0.631 25700 10102 1 18 . 1 1 70 70 SER H H 70 6.749 6.749 8.227 -1.478 25700 10103 1 18 . 1 1 71 71 SER N N 71 122.764 122.764 118.871 3.893 25700 10104 1 18 . 1 1 71 71 SER HA H 71 4.221 4.221 4.342 -0.121 25700 10105 1 18 . 1 1 71 71 SER C C 71 174.098 174.098 175.521 -1.423 25700 10106 1 18 . 1 1 71 71 SER CA C 71 60.326 60.326 60.373 -0.047 25700 10107 1 18 . 1 1 71 71 SER CB C 71 62.814 62.814 63.069 -0.255 25700 10108 1 18 . 1 1 71 71 SER H H 71 8.907 8.907 8.326 0.581 25700 10109 1 18 . 1 1 72 72 ALA N N 72 122.199 122.199 121.634 0.565 25700 10110 1 18 . 1 1 72 72 ALA HA H 72 4.320 4.320 4.377 -0.057 25700 10111 1 18 . 1 1 72 72 ALA C C 72 177.749 177.749 177.103 0.646 25700 10112 1 18 . 1 1 72 72 ALA CA C 72 52.283 52.283 51.795 0.488 25700 10113 1 18 . 1 1 72 72 ALA CB C 72 18.950 18.950 18.560 0.390 25700 10114 1 18 . 1 1 72 72 ALA H H 72 7.869 7.869 8.077 -0.208 25700 10115 1 18 . 1 1 73 73 ASN N N 73 116.297 116.297 117.411 -1.114 25700 10116 1 18 . 1 1 73 73 ASN HA H 73 5.076 5.076 4.527 0.549 25700 10117 1 18 . 1 1 73 73 ASN C C 73 173.794 173.794 174.518 -0.724 25700 10118 1 18 . 1 1 73 73 ASN CA C 73 51.612 51.612 52.645 -1.033 25700 10119 1 18 . 1 1 73 73 ASN CB C 73 40.647 40.647 39.162 1.485 25700 10120 1 18 . 1 1 73 73 ASN H H 73 7.265 7.265 7.568 -0.303 25700 10121 1 18 . 1 1 74 74 ARG N N 74 118.937 118.937 123.846 -4.909 25700 10122 1 18 . 1 1 74 74 ARG HA H 74 4.684 4.684 4.304 0.380 25700 10123 1 18 . 1 1 74 74 ARG C C 74 174.943 174.943 174.248 0.695 25700 10124 1 18 . 1 1 74 74 ARG CA C 74 54.523 54.523 54.647 -0.124 25700 10125 1 18 . 1 1 74 74 ARG CB C 74 32.331 32.331 29.368 2.963 25700 10126 1 18 . 1 1 74 74 ARG H H 74 8.529 8.529 8.325 0.204 25700 10127 1 18 . 1 1 75 75 TYR N N 75 122.282 122.282 124.435 -2.153 25700 10128 1 18 . 1 1 75 75 TYR HA H 75 5.159 5.159 5.102 0.057 25700 10129 1 18 . 1 1 75 75 TYR C C 75 173.593 173.593 174.199 -0.606 25700 10130 1 18 . 1 1 75 75 TYR CA C 75 57.080 57.080 56.612 0.468 25700 10131 1 18 . 1 1 75 75 TYR CB C 75 41.202 41.202 40.459 0.743 25700 10132 1 18 . 1 1 75 75 TYR H H 75 8.691 8.691 8.064 0.627 25700 10133 1 18 . 1 1 76 76 ALA N N 76 122.606 122.606 124.874 -2.268 25700 10134 1 18 . 1 1 76 76 ALA HA H 76 4.788 4.788 4.869 -0.081 25700 10135 1 18 . 1 1 76 76 ALA C C 76 175.765 175.765 174.817 0.948 25700 10136 1 18 . 1 1 76 76 ALA CA C 76 50.543 50.543 49.942 0.601 25700 10137 1 18 . 1 1 76 76 ALA CB C 76 23.070 23.070 22.876 0.194 25700 10138 1 18 . 1 1 76 76 ALA H H 76 8.688 8.688 9.224 -0.536 25700 10139 1 18 . 1 1 77 77 ALA N N 77 119.325 119.325 120.749 -1.424 25700 10140 1 18 . 1 1 77 77 ALA HA H 77 5.488 5.488 5.524 -0.036 25700 10141 1 18 . 1 1 77 77 ALA C C 77 174.473 174.473 175.551 -1.078 25700 10142 1 18 . 1 1 77 77 ALA CA C 77 51.813 51.813 51.039 0.774 25700 10143 1 18 . 1 1 77 77 ALA CB C 77 24.137 24.137 22.816 1.321 25700 10144 1 18 . 1 1 77 77 ALA H H 77 8.584 8.584 8.150 0.434 25700 10145 1 18 . 1 1 78 78 ARG N N 78 122.822 122.822 118.602 4.220 25700 10146 1 18 . 1 1 78 78 ARG HA H 78 4.938 4.938 5.462 -0.524 25700 10147 1 18 . 1 1 78 78 ARG C C 78 173.170 173.170 173.843 -0.673 25700 10148 1 18 . 1 1 78 78 ARG CA C 78 54.890 54.890 55.036 -0.146 25700 10149 1 18 . 1 1 78 78 ARG CB C 78 34.467 34.467 32.168 2.299 25700 10150 1 18 . 1 1 78 78 ARG H H 78 8.807 8.807 9.179 -0.372 25700 10151 1 18 . 1 1 79 79 LEU N N 79 130.548 130.548 127.147 3.401 25700 10152 1 18 . 1 1 79 79 LEU HA H 79 5.440 5.440 5.211 0.229 25700 10153 1 18 . 1 1 79 79 LEU C C 79 173.434 173.434 174.775 -1.341 25700 10154 1 18 . 1 1 79 79 LEU CA C 79 53.186 53.186 53.377 -0.191 25700 10155 1 18 . 1 1 79 79 LEU CB C 79 45.369 45.369 45.190 0.180 25700 10156 1 18 . 1 1 79 79 LEU H H 79 9.055 9.055 9.097 -0.042 25700 10157 1 18 . 1 1 80 80 ASP N N 80 125.928 125.928 128.551 -2.623 25700 10158 1 18 . 1 1 80 80 ASP HA H 80 5.480 5.480 5.435 0.045 25700 10159 1 18 . 1 1 80 80 ASP C C 80 175.805 175.805 175.444 0.361 25700 10160 1 18 . 1 1 80 80 ASP CA C 80 53.794 53.794 54.120 -0.326 25700 10161 1 18 . 1 1 80 80 ASP CB C 80 44.119 44.119 42.583 1.536 25700 10162 1 18 . 1 1 80 80 ASP H H 80 9.251 9.251 9.217 0.034 25700 10163 1 18 . 1 1 81 81 VAL N N 81 123.295 123.295 125.926 -2.631 25700 10164 1 18 . 1 1 81 81 VAL HA H 81 4.843 4.843 4.476 0.367 25700 10165 1 18 . 1 1 81 81 VAL C C 81 174.136 174.136 174.625 -0.489 25700 10166 1 18 . 1 1 81 81 VAL CA C 81 61.438 61.438 61.494 -0.056 25700 10167 1 18 . 1 1 81 81 VAL CB C 81 35.299 35.299 31.858 3.441 25700 10168 1 18 . 1 1 81 81 VAL H H 81 8.947 8.947 8.918 0.029 25700 10169 1 18 . 1 1 82 82 SER N N 82 122.698 122.698 123.587 -0.889 25700 10170 1 18 . 1 1 82 82 SER HA H 82 5.380 5.380 5.427 -0.047 25700 10171 1 18 . 1 1 82 82 SER C C 82 173.016 173.016 173.344 -0.328 25700 10172 1 18 . 1 1 82 82 SER CA C 82 57.195 57.195 56.572 0.623 25700 10173 1 18 . 1 1 82 82 SER CB C 82 64.477 64.477 64.731 -0.254 25700 10174 1 18 . 1 1 82 82 SER H H 82 9.026 9.026 8.774 0.252 25700 10175 1 18 . 1 1 83 83 PHE N N 83 127.305 127.305 127.771 -0.466 25700 10176 1 18 . 1 1 83 83 PHE HA H 83 4.781 4.781 4.888 -0.107 25700 10177 1 18 . 1 1 83 83 PHE C C 83 174.741 174.741 175.389 -0.648 25700 10178 1 18 . 1 1 83 83 PHE CA C 83 57.376 57.376 57.707 -0.331 25700 10179 1 18 . 1 1 83 83 PHE CB C 83 42.094 42.094 41.141 0.953 25700 10180 1 18 . 1 1 83 83 PHE H H 83 9.012 9.012 8.835 0.177 25700 10181 1 18 . 1 1 84 84 GLY N N 84 117.337 117.337 116.492 0.845 25700 10182 1 18 . 1 1 84 84 GLY C C 84 175.295 175.295 175.061 0.234 25700 10183 1 18 . 1 1 84 84 GLY CA C 84 47.086 47.086 46.497 0.589 25700 10184 1 18 . 1 1 84 84 GLY H H 84 8.784 8.784 8.469 0.315 25700 10185 1 18 . 1 1 85 85 SER N N 85 120.553 120.553 119.601 0.952 25700 10186 1 18 . 1 1 85 85 SER HA H 85 4.383 4.383 4.470 -0.087 25700 10187 1 18 . 1 1 85 85 SER C C 85 173.796 173.796 174.937 -1.141 25700 10188 1 18 . 1 1 85 85 SER CA C 85 59.095 59.095 58.277 0.818 25700 10189 1 18 . 1 1 85 85 SER CB C 85 63.360 63.360 64.240 -0.880 25700 10190 1 18 . 1 1 85 85 SER H H 85 8.687 8.687 8.349 0.338 25700 10191 1 18 . 1 1 86 86 VAL N N 86 121.297 121.297 123.345 -2.048 25700 10192 1 18 . 1 1 86 86 VAL HA H 86 4.504 4.504 4.277 0.227 25700 10193 1 18 . 1 1 86 86 VAL C C 86 174.888 174.888 173.794 1.094 25700 10194 1 18 . 1 1 86 86 VAL CA C 86 61.610 61.610 61.965 -0.355 25700 10195 1 18 . 1 1 86 86 VAL CB C 86 34.210 34.210 33.073 1.137 25700 10196 1 18 . 1 1 86 86 VAL H H 86 7.963 7.963 7.563 0.400 25700 10197 1 18 . 1 1 87 87 THR N N 87 119.631 119.631 124.044 -4.413 25700 10198 1 18 . 1 1 87 87 THR HA H 87 5.551 5.551 5.487 0.064 25700 10199 1 18 . 1 1 87 87 THR C C 87 174.271 174.271 173.533 0.738 25700 10200 1 18 . 1 1 87 87 THR CA C 87 60.550 60.550 61.227 -0.677 25700 10201 1 18 . 1 1 87 87 THR CB C 87 71.350 71.350 69.930 1.419 25700 10202 1 18 . 1 1 87 87 THR H H 87 8.302 8.302 8.426 -0.124 25700 10203 1 18 . 1 1 88 88 ILE N N 88 118.811 118.811 122.408 -3.597 25700 10204 1 18 . 1 1 88 88 ILE HA H 88 4.858 4.858 4.803 0.055 25700 10205 1 18 . 1 1 88 88 ILE C C 88 174.300 174.300 173.326 0.974 25700 10206 1 18 . 1 1 88 88 ILE CA C 88 59.380 59.380 59.110 0.270 25700 10207 1 18 . 1 1 88 88 ILE CB C 88 43.170 43.170 42.471 0.699 25700 10208 1 18 . 1 1 88 88 ILE H H 88 8.986 8.986 8.855 0.131 25700 10209 1 18 . 1 1 89 89 GLN N N 89 120.806 120.806 117.844 2.962 25700 10210 1 18 . 1 1 89 89 GLN HA H 89 5.814 5.814 5.613 0.201 25700 10211 1 18 . 1 1 89 89 GLN C C 89 175.021 175.021 174.525 0.496 25700 10212 1 18 . 1 1 89 89 GLN CA C 89 54.171 54.171 54.505 -0.334 25700 10213 1 18 . 1 1 89 89 GLN CB C 89 34.262 34.262 32.541 1.721 25700 10214 1 18 . 1 1 89 89 GLN H H 89 8.481 8.481 8.332 0.149 25700 10215 1 18 . 1 1 90 90 CYS N N 90 118.531 118.531 120.782 -2.251 25700 10216 1 18 . 1 1 90 90 CYS HA H 90 5.010 5.010 4.970 0.040 25700 10217 1 18 . 1 1 90 90 CYS C C 90 172.402 172.402 173.021 -0.619 25700 10218 1 18 . 1 1 90 90 CYS CA C 90 54.874 54.874 57.954 -3.080 25700 10219 1 18 . 1 1 90 90 CYS CB C 90 50.267 50.267 31.412 18.855 25700 10220 1 18 . 1 1 90 90 CYS H H 90 9.151 9.151 8.966 0.185 25700 10221 1 18 . 1 1 91 91 ASN N N 91 116.449 116.449 118.565 -2.116 25700 10222 1 18 . 1 1 91 91 ASN HA H 91 5.615 5.615 5.494 0.121 25700 10223 1 18 . 1 1 91 91 ASN C C 91 174.994 174.994 174.058 0.936 25700 10224 1 18 . 1 1 91 91 ASN CA C 91 52.484 52.484 52.097 0.387 25700 10225 1 18 . 1 1 91 91 ASN CB C 91 43.331 43.331 41.270 2.061 25700 10226 1 18 . 1 1 91 91 ASN H H 91 8.791 8.791 8.286 0.505 25700 10227 1 18 . 1 1 92 92 LEU N N 92 123.391 123.391 121.718 1.673 25700 10228 1 18 . 1 1 92 92 LEU HA H 92 4.286 4.286 4.479 -0.193 25700 10229 1 18 . 1 1 92 92 LEU C C 92 176.188 176.188 176.467 -0.279 25700 10230 1 18 . 1 1 92 92 LEU CA C 92 54.863 54.863 54.445 0.418 25700 10231 1 18 . 1 1 92 92 LEU CB C 92 45.064 45.064 43.557 1.507 25700 10232 1 18 . 1 1 92 92 LEU H H 92 8.597 8.597 8.830 -0.233 25700 10233 1 18 . 1 1 93 93 ASP N N 93 129.020 129.020 128.324 0.696 25700 10234 1 18 . 1 1 93 93 ASP HA H 93 5.160 5.160 4.987 0.173 25700 10235 1 18 . 1 1 93 93 ASP C C 93 175.761 175.761 175.678 0.083 25700 10236 1 18 . 1 1 93 93 ASP CA C 93 50.948 50.948 52.056 -1.108 25700 10237 1 18 . 1 1 93 93 ASP CB C 93 41.136 41.136 42.081 -0.945 25700 10238 1 18 . 1 1 93 93 ASP H H 93 9.146 9.146 8.703 0.443 25700 10239 1 18 . 1 1 94 94 PRO HA H 94 4.304 4.304 4.544 -0.240 25700 10240 1 18 . 1 1 94 94 PRO C C 94 178.637 178.637 178.100 0.537 25700 10241 1 18 . 1 1 94 94 PRO CA C 94 64.830 64.830 64.887 -0.057 25700 10242 1 18 . 1 1 94 94 PRO CB C 94 32.579 32.579 32.002 0.577 25700 10243 1 18 . 1 1 95 95 GLU N N 95 116.747 116.747 116.428 0.319 25700 10244 1 18 . 1 1 95 95 GLU HA H 95 4.223 4.223 4.231 -0.008 25700 10245 1 18 . 1 1 95 95 GLU C C 95 177.994 177.994 177.001 0.993 25700 10246 1 18 . 1 1 95 95 GLU CA C 95 57.773 57.773 57.898 -0.125 25700 10247 1 18 . 1 1 95 95 GLU CB C 95 29.084 29.084 28.551 0.533 25700 10248 1 18 . 1 1 95 95 GLU H H 95 8.358 8.358 8.735 -0.377 25700 10249 1 18 . 1 1 96 96 THR N N 96 109.182 109.182 108.558 0.624 25700 10250 1 18 . 1 1 96 96 THR HA H 96 4.169 4.169 4.508 -0.339 25700 10251 1 18 . 1 1 96 96 THR C C 96 175.238 175.238 175.596 -0.358 25700 10252 1 18 . 1 1 96 96 THR CA C 96 63.038 63.038 62.730 0.308 25700 10253 1 18 . 1 1 96 96 THR CB C 96 69.640 69.640 69.245 0.395 25700 10254 1 18 . 1 1 96 96 THR H H 96 7.951 7.951 8.118 -0.167 25700 10255 1 18 . 1 1 97 97 VAL N N 97 121.118 121.118 121.843 -0.725 25700 10256 1 18 . 1 1 97 97 VAL HA H 97 3.770 3.770 3.762 0.008 25700 10257 1 18 . 1 1 97 97 VAL C C 97 174.851 174.851 175.543 -0.692 25700 10258 1 18 . 1 1 97 97 VAL CA C 97 63.272 63.272 63.961 -0.689 25700 10259 1 18 . 1 1 97 97 VAL CB C 97 30.627 30.627 31.377 -0.750 25700 10260 1 18 . 1 1 97 97 VAL H H 97 7.175 7.175 7.324 -0.149 25700 10261 1 18 . 1 1 98 98 LYS N N 98 123.245 123.245 120.588 2.657 25700 10262 1 18 . 1 1 98 98 LYS HA H 98 4.385 4.385 4.242 0.143 25700 10263 1 18 . 1 1 98 98 LYS C C 98 175.612 175.612 175.551 0.061 25700 10264 1 18 . 1 1 98 98 LYS CA C 98 55.812 55.812 56.037 -0.225 25700 10265 1 18 . 1 1 98 98 LYS CB C 98 33.804 33.804 30.098 3.706 25700 10266 1 18 . 1 1 98 98 LYS H H 98 7.712 7.712 7.852 -0.140 25700 10267 1 18 . 1 1 99 99 LEU N N 99 122.457 122.457 120.264 2.193 25700 10268 1 18 . 1 1 99 99 LEU HA H 99 4.123 4.123 3.807 0.316 25700 10269 1 18 . 1 1 99 99 LEU C C 99 177.160 177.160 177.243 -0.083 25700 10270 1 18 . 1 1 99 99 LEU CA C 99 55.309 55.309 55.507 -0.198 25700 10271 1 18 . 1 1 99 99 LEU CB C 99 42.319 42.319 39.005 3.314 25700 10272 1 18 . 1 1 99 99 LEU H H 99 8.110 8.110 8.949 -0.839 25700 10273 1 18 . 1 1 100 100 GLU N N 100 120.800 120.800 114.176 6.624 25700 10274 1 18 . 1 1 100 100 GLU HA H 100 4.151 4.151 3.862 0.289 25700 10275 1 18 . 1 1 100 100 GLU C C 100 176.070 176.070 175.533 0.537 25700 10276 1 18 . 1 1 100 100 GLU CA C 100 56.740 56.740 59.103 -2.363 25700 10277 1 18 . 1 1 100 100 GLU CB C 100 30.060 30.060 28.926 1.134 25700 10278 1 18 . 1 1 100 100 GLU H H 100 8.340 8.340 8.734 -0.394 25700 10279 1 19 . 1 1 2 2 VAL N N 2 123.080 123.080 122.956 0.124 25700 10280 1 19 . 1 1 2 2 VAL HA H 2 4.678 4.678 4.352 0.326 25700 10281 1 19 . 1 1 2 2 VAL C C 2 171.871 171.871 175.033 -3.162 25700 10282 1 19 . 1 1 2 2 VAL CA C 2 59.500 59.500 60.160 -0.660 25700 10283 1 19 . 1 1 2 2 VAL CB C 2 34.185 34.185 32.759 1.426 25700 10284 1 19 . 1 1 2 2 VAL H H 2 8.041 8.041 8.342 -0.301 25700 10285 1 19 . 1 1 3 3 GLN N N 3 123.080 123.080 121.744 1.336 25700 10286 1 19 . 1 1 3 3 GLN HA H 3 4.660 4.660 4.705 -0.045 25700 10287 1 19 . 1 1 3 3 GLN CA C 3 54.109 54.109 52.714 1.395 25700 10288 1 19 . 1 1 3 3 GLN CB C 3 33.338 33.338 32.613 0.725 25700 10289 1 19 . 1 1 3 3 GLN H H 3 8.126 8.126 9.094 -0.968 25700 10290 1 19 . 1 1 4 4 CYS N N 4 115.260 115.260 113.235 2.025 25700 10291 1 19 . 1 1 4 4 CYS HA H 4 5.676 5.676 5.157 0.519 25700 10292 1 19 . 1 1 4 4 CYS C C 4 171.720 171.720 173.082 -1.362 25700 10293 1 19 . 1 1 4 4 CYS CA C 4 53.402 53.402 56.672 -3.270 25700 10294 1 19 . 1 1 4 4 CYS CB C 4 45.525 45.525 31.404 14.121 25700 10295 1 19 . 1 1 4 4 CYS H H 4 8.909 8.909 8.667 0.242 25700 10296 1 19 . 1 1 5 5 GLU N N 5 117.764 117.764 118.794 -1.030 25700 10297 1 19 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.638 -0.159 25700 10298 1 19 . 1 1 5 5 GLU C C 5 174.088 174.088 173.810 0.278 25700 10299 1 19 . 1 1 5 5 GLU CA C 5 54.838 54.838 55.455 -0.617 25700 10300 1 19 . 1 1 5 5 GLU CB C 5 34.155 34.155 33.658 0.497 25700 10301 1 19 . 1 1 5 5 GLU H H 5 8.580 8.580 7.878 0.702 25700 10302 1 19 . 1 1 6 6 VAL N N 6 120.471 120.471 114.870 5.601 25700 10303 1 19 . 1 1 6 6 VAL HA H 6 4.427 4.427 4.364 0.063 25700 10304 1 19 . 1 1 6 6 VAL C C 6 174.211 174.211 174.517 -0.306 25700 10305 1 19 . 1 1 6 6 VAL CA C 6 61.540 61.540 61.184 0.356 25700 10306 1 19 . 1 1 6 6 VAL CB C 6 32.618 32.618 33.636 -1.018 25700 10307 1 19 . 1 1 6 6 VAL H H 6 8.588 8.588 8.274 0.314 25700 10308 1 19 . 1 1 7 7 GLU N N 7 125.816 125.816 126.358 -0.542 25700 10309 1 19 . 1 1 7 7 GLU HA H 7 4.548 4.548 4.821 -0.273 25700 10310 1 19 . 1 1 7 7 GLU C C 7 174.194 174.194 175.281 -1.087 25700 10311 1 19 . 1 1 7 7 GLU CA C 7 54.524 54.524 53.814 0.710 25700 10312 1 19 . 1 1 7 7 GLU CB C 7 33.291 33.291 33.624 -0.333 25700 10313 1 19 . 1 1 7 7 GLU H H 7 8.820 8.820 9.020 -0.200 25700 10314 1 19 . 1 1 8 8 ALA N N 8 122.882 122.882 122.744 0.138 25700 10315 1 19 . 1 1 8 8 ALA HA H 8 5.238 5.238 4.598 0.640 25700 10316 1 19 . 1 1 8 8 ALA C C 8 175.557 175.557 175.482 0.075 25700 10317 1 19 . 1 1 8 8 ALA CA C 8 49.950 49.950 51.305 -1.355 25700 10318 1 19 . 1 1 8 8 ALA CB C 8 22.730 22.730 21.652 1.078 25700 10319 1 19 . 1 1 8 8 ALA H H 8 8.410 8.410 8.383 0.027 25700 10320 1 19 . 1 1 9 9 ALA N N 9 124.110 124.110 127.873 -3.763 25700 10321 1 19 . 1 1 9 9 ALA HA H 9 4.691 4.691 5.214 -0.523 25700 10322 1 19 . 1 1 9 9 ALA C C 9 176.300 176.300 175.924 0.376 25700 10323 1 19 . 1 1 9 9 ALA CA C 9 50.825 50.825 50.152 0.673 25700 10324 1 19 . 1 1 9 9 ALA CB C 9 21.240 21.240 20.681 0.559 25700 10325 1 19 . 1 1 9 9 ALA H H 9 8.407 8.407 9.247 -0.840 25700 10326 1 19 . 1 1 10 10 VAL N N 10 126.780 126.780 125.502 1.278 25700 10327 1 19 . 1 1 10 10 VAL HA H 10 4.379 4.379 4.112 0.267 25700 10328 1 19 . 1 1 10 10 VAL C C 10 175.717 175.717 175.538 0.179 25700 10329 1 19 . 1 1 10 10 VAL CA C 10 61.580 61.580 62.063 -0.483 25700 10330 1 19 . 1 1 10 10 VAL CB C 10 32.209 32.209 31.824 0.385 25700 10331 1 19 . 1 1 10 10 VAL H H 10 8.860 8.860 9.007 -0.147 25700 10332 1 19 . 1 1 11 11 SER N N 11 120.868 120.868 123.584 -2.716 25700 10333 1 19 . 1 1 11 11 SER HA H 11 4.448 4.448 4.668 -0.220 25700 10334 1 19 . 1 1 11 11 SER C C 11 175.498 175.498 174.346 1.152 25700 10335 1 19 . 1 1 11 11 SER CA C 11 57.590 57.590 56.813 0.777 25700 10336 1 19 . 1 1 11 11 SER CB C 11 64.000 64.000 64.988 -0.988 25700 10337 1 19 . 1 1 11 11 SER H H 11 8.478 8.478 9.033 -0.555 25700 10338 1 19 . 1 1 12 12 GLY N N 12 116.896 116.896 108.283 8.613 25700 10339 1 19 . 1 1 12 12 GLY C C 12 174.994 174.994 174.554 0.440 25700 10340 1 19 . 1 1 12 12 GLY CA C 12 47.515 47.515 45.804 1.711 25700 10341 1 19 . 1 1 12 12 GLY H H 12 9.120 9.120 8.410 0.710 25700 10342 1 19 . 1 1 13 13 GLY N N 13 108.984 108.984 113.124 -4.140 25700 10343 1 19 . 1 1 13 13 GLY C C 13 174.440 174.440 173.511 0.929 25700 10344 1 19 . 1 1 13 13 GLY CA C 13 45.383 45.383 44.809 0.574 25700 10345 1 19 . 1 1 13 13 GLY H H 13 8.816 8.816 8.102 0.714 25700 10346 1 19 . 1 1 14 14 HIS N N 14 118.737 118.737 119.568 -0.831 25700 10347 1 19 . 1 1 14 14 HIS HA H 14 5.458 5.458 5.380 0.078 25700 10348 1 19 . 1 1 14 14 HIS C C 14 172.243 172.243 173.081 -0.838 25700 10349 1 19 . 1 1 14 14 HIS CA C 14 54.905 54.905 55.158 -0.253 25700 10350 1 19 . 1 1 14 14 HIS CB C 14 32.311 32.311 34.044 -1.733 25700 10351 1 19 . 1 1 14 14 HIS H H 14 8.084 8.084 7.418 0.666 25700 10352 1 19 . 1 1 15 15 VAL N N 15 120.204 120.204 123.106 -2.902 25700 10353 1 19 . 1 1 15 15 VAL HA H 15 4.932 4.932 4.758 0.174 25700 10354 1 19 . 1 1 15 15 VAL C C 15 172.314 172.314 174.020 -1.706 25700 10355 1 19 . 1 1 15 15 VAL CA C 15 58.540 58.540 59.812 -1.272 25700 10356 1 19 . 1 1 15 15 VAL CB C 15 34.285 34.285 34.371 -0.086 25700 10357 1 19 . 1 1 15 15 VAL H H 15 9.369 9.369 9.283 0.086 25700 10358 1 19 . 1 1 16 16 THR N N 16 123.685 123.685 126.155 -2.470 25700 10359 1 19 . 1 1 16 16 THR HA H 16 5.220 5.220 5.022 0.198 25700 10360 1 19 . 1 1 16 16 THR C C 16 174.478 174.478 173.129 1.349 25700 10361 1 19 . 1 1 16 16 THR CA C 16 61.481 61.481 63.044 -1.563 25700 10362 1 19 . 1 1 16 16 THR CB C 16 70.017 70.017 69.314 0.703 25700 10363 1 19 . 1 1 16 16 THR H H 16 8.604 8.604 9.178 -0.574 25700 10364 1 19 . 1 1 17 17 LEU N N 17 128.958 128.958 129.183 -0.225 25700 10365 1 19 . 1 1 17 17 LEU HA H 17 5.407 5.407 4.660 0.747 25700 10366 1 19 . 1 1 17 17 LEU C C 17 174.481 174.481 174.355 0.126 25700 10367 1 19 . 1 1 17 17 LEU CA C 17 53.999 53.999 54.113 -0.114 25700 10368 1 19 . 1 1 17 17 LEU CB C 17 44.108 44.108 44.743 -0.635 25700 10369 1 19 . 1 1 17 17 LEU H H 17 9.627 9.627 9.245 0.382 25700 10370 1 19 . 1 1 18 18 GLN N N 18 115.227 115.227 121.217 -5.990 25700 10371 1 19 . 1 1 18 18 GLN HA H 18 4.465 4.465 5.367 -0.902 25700 10372 1 19 . 1 1 18 18 GLN C C 18 174.042 174.042 174.550 -0.508 25700 10373 1 19 . 1 1 18 18 GLN CA C 18 53.725 53.725 53.958 -0.233 25700 10374 1 19 . 1 1 18 18 GLN CB C 18 31.767 31.767 34.376 -2.608 25700 10375 1 19 . 1 1 18 18 GLN H H 18 8.243 8.243 8.230 0.013 25700 10376 1 19 . 1 1 19 19 GLY N N 19 107.795 107.795 107.598 0.197 25700 10377 1 19 . 1 1 19 19 GLY C C 19 172.005 172.005 172.752 -0.747 25700 10378 1 19 . 1 1 19 19 GLY CA C 19 44.485 44.485 44.037 0.448 25700 10379 1 19 . 1 1 19 19 GLY H H 19 9.100 9.100 8.840 0.260 25700 10380 1 19 . 1 1 20 20 VAL N N 20 120.951 120.951 127.134 -6.183 25700 10381 1 19 . 1 1 20 20 VAL HA H 20 4.634 4.634 4.131 0.503 25700 10382 1 19 . 1 1 20 20 VAL C C 20 175.670 175.670 175.322 0.348 25700 10383 1 19 . 1 1 20 20 VAL CA C 20 61.380 61.380 62.577 -1.197 25700 10384 1 19 . 1 1 20 20 VAL CB C 20 33.990 33.990 31.618 2.372 25700 10385 1 19 . 1 1 20 20 VAL H H 20 8.859 8.859 9.305 -0.446 25700 10386 1 19 . 1 1 21 21 ILE N N 21 129.511 129.511 130.912 -1.401 25700 10387 1 19 . 1 1 21 21 ILE HA H 21 4.443 4.443 4.418 0.025 25700 10388 1 19 . 1 1 21 21 ILE C C 21 174.567 174.567 175.600 -1.033 25700 10389 1 19 . 1 1 21 21 ILE CA C 21 59.883 59.883 60.438 -0.555 25700 10390 1 19 . 1 1 21 21 ILE CB C 21 41.152 41.152 38.760 2.393 25700 10391 1 19 . 1 1 21 21 ILE H H 21 9.304 9.304 9.166 0.138 25700 10392 1 19 . 1 1 22 22 THR N N 22 120.311 120.311 125.513 -5.202 25700 10393 1 19 . 1 1 22 22 THR HA H 22 4.479 4.479 4.779 -0.300 25700 10394 1 19 . 1 1 22 22 THR C C 22 172.996 172.996 173.293 -0.297 25700 10395 1 19 . 1 1 22 22 THR CA C 22 61.647 61.647 62.501 -0.854 25700 10396 1 19 . 1 1 22 22 THR CB C 22 70.230 70.230 69.663 0.567 25700 10397 1 19 . 1 1 22 22 THR H H 22 8.063 8.063 8.572 -0.509 25700 10398 1 19 . 1 1 23 23 ALA N N 23 104.959 104.959 129.112 -24.153 25700 10399 1 19 . 1 1 23 23 ALA HA H 23 5.056 5.056 4.833 0.223 25700 10400 1 19 . 1 1 23 23 ALA C C 23 177.722 177.722 177.075 0.647 25700 10401 1 19 . 1 1 23 23 ALA CA C 23 49.963 49.963 50.282 -0.319 25700 10402 1 19 . 1 1 23 23 ALA CB C 23 22.915 22.915 21.334 1.581 25700 10403 1 19 . 1 1 23 23 ALA H H 23 9.764 9.764 8.487 1.277 25700 10404 1 19 . 1 1 24 24 VAL N N 24 113.370 113.370 123.089 -9.719 25700 10405 1 19 . 1 1 24 24 VAL HA H 24 4.083 4.083 3.948 0.135 25700 10406 1 19 . 1 1 24 24 VAL C C 24 174.539 174.539 175.684 -1.145 25700 10407 1 19 . 1 1 24 24 VAL CA C 24 62.339 62.339 64.491 -2.152 25700 10408 1 19 . 1 1 24 24 VAL CB C 24 31.933 31.933 31.851 0.083 25700 10409 1 19 . 1 1 24 24 VAL H H 24 8.239 8.239 8.501 -0.262 25700 10410 1 19 . 1 1 25 25 ARG N N 25 116.002 116.002 118.861 -2.859 25700 10411 1 19 . 1 1 25 25 ARG HA H 25 4.740 4.740 4.540 0.200 25700 10412 1 19 . 1 1 25 25 ARG C C 25 172.797 172.797 174.511 -1.714 25700 10413 1 19 . 1 1 25 25 ARG CA C 25 53.284 53.284 53.580 -0.296 25700 10414 1 19 . 1 1 25 25 ARG CB C 25 33.542 33.542 32.642 0.900 25700 10415 1 19 . 1 1 25 25 ARG H H 25 7.308 7.308 7.667 -0.359 25700 10416 1 19 . 1 1 26 26 ASP N N 26 118.075 118.075 122.139 -4.064 25700 10417 1 19 . 1 1 26 26 ASP HA H 26 4.665 4.665 4.880 -0.215 25700 10418 1 19 . 1 1 26 26 ASP C C 26 177.721 177.721 176.062 1.659 25700 10419 1 19 . 1 1 26 26 ASP CA C 26 53.911 53.911 53.762 0.149 25700 10420 1 19 . 1 1 26 26 ASP CB C 26 41.143 41.143 41.689 -0.546 25700 10421 1 19 . 1 1 26 26 ASP H H 26 8.301 8.301 8.278 0.023 25700 10422 1 19 . 1 1 27 27 GLY N N 27 106.966 106.966 109.540 -2.574 25700 10423 1 19 . 1 1 27 27 GLY C C 27 170.472 170.472 172.166 -1.694 25700 10424 1 19 . 1 1 27 27 GLY CA C 27 46.213 46.213 45.319 0.894 25700 10425 1 19 . 1 1 27 27 GLY H H 27 8.276 8.276 8.822 -0.546 25700 10426 1 19 . 1 1 28 28 ALA N N 28 122.805 122.805 122.948 -0.143 25700 10427 1 19 . 1 1 28 28 ALA HA H 28 4.898 4.898 5.092 -0.194 25700 10428 1 19 . 1 1 28 28 ALA C C 28 176.720 176.720 175.445 1.275 25700 10429 1 19 . 1 1 28 28 ALA CA C 28 50.756 50.756 50.971 -0.215 25700 10430 1 19 . 1 1 28 28 ALA CB C 28 21.482 21.482 21.536 -0.054 25700 10431 1 19 . 1 1 28 28 ALA H H 28 8.065 8.065 8.121 -0.056 25700 10432 1 19 . 1 1 29 29 GLY N N 29 106.538 106.538 107.241 -0.703 25700 10433 1 19 . 1 1 29 29 GLY C C 29 172.866 172.866 170.858 2.008 25700 10434 1 19 . 1 1 29 29 GLY CA C 29 45.538 45.538 43.147 2.391 25700 10435 1 19 . 1 1 29 29 GLY H H 29 7.654 7.654 8.785 -1.131 25700 10436 1 19 . 1 1 30 30 SER N N 30 116.216 116.216 113.374 2.842 25700 10437 1 19 . 1 1 30 30 SER HA H 30 5.564 5.564 4.613 0.951 25700 10438 1 19 . 1 1 30 30 SER C C 30 172.216 172.216 172.678 -0.462 25700 10439 1 19 . 1 1 30 30 SER CA C 30 57.505 57.505 56.492 1.012 25700 10440 1 19 . 1 1 30 30 SER CB C 30 66.321 66.321 65.657 0.664 25700 10441 1 19 . 1 1 30 30 SER H H 30 9.185 9.185 7.727 1.458 25700 10442 1 19 . 1 1 31 31 TYR N N 31 118.467 118.467 117.203 1.264 25700 10443 1 19 . 1 1 31 31 TYR HA H 31 6.035 6.035 5.047 0.988 25700 10444 1 19 . 1 1 31 31 TYR C C 31 174.138 174.138 173.849 0.289 25700 10445 1 19 . 1 1 31 31 TYR CA C 31 55.806 55.806 56.363 -0.557 25700 10446 1 19 . 1 1 31 31 TYR CB C 31 43.091 43.091 41.453 1.638 25700 10447 1 19 . 1 1 31 31 TYR H H 31 9.215 9.215 8.667 0.548 25700 10448 1 19 . 1 1 32 32 LYS N N 32 121.086 121.086 120.000 1.086 25700 10449 1 19 . 1 1 32 32 LYS HA H 32 4.772 4.772 4.775 -0.003 25700 10450 1 19 . 1 1 32 32 LYS C C 32 173.750 173.750 174.216 -0.466 25700 10451 1 19 . 1 1 32 32 LYS CA C 32 56.495 56.495 55.261 1.234 25700 10452 1 19 . 1 1 32 32 LYS CB C 32 35.800 35.800 34.463 1.337 25700 10453 1 19 . 1 1 32 32 LYS H H 32 8.904 8.904 9.411 -0.507 25700 10454 1 19 . 1 1 33 33 LEU N N 33 128.296 128.296 127.385 0.911 25700 10455 1 19 . 1 1 33 33 LEU HA H 33 5.329 5.329 5.058 0.271 25700 10456 1 19 . 1 1 33 33 LEU C C 33 173.389 173.389 174.162 -0.773 25700 10457 1 19 . 1 1 33 33 LEU CA C 33 53.547 53.547 53.003 0.544 25700 10458 1 19 . 1 1 33 33 LEU CB C 33 45.460 45.460 44.657 0.803 25700 10459 1 19 . 1 1 33 33 LEU H H 33 9.663 9.663 8.852 0.811 25700 10460 1 19 . 1 1 34 34 ALA N N 34 129.791 129.791 130.177 -0.386 25700 10461 1 19 . 1 1 34 34 ALA HA H 34 5.419 5.419 5.449 -0.030 25700 10462 1 19 . 1 1 34 34 ALA C C 34 176.313 176.313 175.548 0.765 25700 10463 1 19 . 1 1 34 34 ALA CA C 34 50.605 50.605 49.847 0.758 25700 10464 1 19 . 1 1 34 34 ALA CB C 34 21.237 21.237 22.373 -1.136 25700 10465 1 19 . 1 1 34 34 ALA H H 34 9.044 9.044 9.249 -0.205 25700 10466 1 19 . 1 1 35 35 VAL N N 35 124.532 124.532 123.561 0.971 25700 10467 1 19 . 1 1 35 35 VAL HA H 35 4.844 4.844 4.492 0.352 25700 10468 1 19 . 1 1 35 35 VAL C C 35 173.511 173.511 174.345 -0.834 25700 10469 1 19 . 1 1 35 35 VAL CA C 35 61.113 61.113 61.306 -0.193 25700 10470 1 19 . 1 1 35 35 VAL CB C 35 35.152 35.152 34.117 1.035 25700 10471 1 19 . 1 1 35 35 VAL H H 35 9.332 9.332 8.850 0.482 25700 10472 1 19 . 1 1 36 36 ASP N N 36 127.077 127.077 128.701 -1.624 25700 10473 1 19 . 1 1 36 36 ASP HA H 36 5.560 5.560 5.476 0.084 25700 10474 1 19 . 1 1 36 36 ASP C C 36 174.146 174.146 175.200 -1.054 25700 10475 1 19 . 1 1 36 36 ASP CA C 36 53.219 53.219 52.588 0.631 25700 10476 1 19 . 1 1 36 36 ASP CB C 36 44.387 44.387 43.581 0.806 25700 10477 1 19 . 1 1 36 36 ASP H H 36 9.169 9.169 9.047 0.122 25700 10478 1 19 . 1 1 37 37 LYS N N 37 122.568 122.568 125.616 -3.048 25700 10479 1 19 . 1 1 37 37 LYS HA H 37 4.673 4.673 5.126 -0.453 25700 10480 1 19 . 1 1 37 37 LYS C C 37 173.710 173.710 175.375 -1.665 25700 10481 1 19 . 1 1 37 37 LYS CA C 37 54.410 54.410 55.332 -0.922 25700 10482 1 19 . 1 1 37 37 LYS CB C 37 34.907 34.907 35.247 -0.340 25700 10483 1 19 . 1 1 37 37 LYS H H 37 8.665 8.665 8.894 -0.229 25700 10484 1 19 . 1 1 38 38 ALA N N 38 130.221 130.221 124.755 5.466 25700 10485 1 19 . 1 1 38 38 ALA HA H 38 4.983 4.983 5.024 -0.041 25700 10486 1 19 . 1 1 38 38 ALA C C 38 176.141 176.141 175.142 0.999 25700 10487 1 19 . 1 1 38 38 ALA CA C 38 51.093 51.093 51.524 -0.431 25700 10488 1 19 . 1 1 38 38 ALA CB C 38 21.778 21.778 21.389 0.389 25700 10489 1 19 . 1 1 38 38 ALA H H 38 8.798 8.798 8.998 -0.200 25700 10490 1 19 . 1 1 39 39 GLY N N 39 109.328 109.328 109.336 -0.008 25700 10491 1 19 . 1 1 39 39 GLY C C 39 174.208 174.208 174.120 0.088 25700 10492 1 19 . 1 1 39 39 GLY CA C 39 44.645 44.645 44.674 -0.029 25700 10493 1 19 . 1 1 39 39 GLY H H 39 7.851 7.851 8.569 -0.718 25700 10494 1 19 . 1 1 40 40 ALA N N 40 125.088 125.088 122.278 2.810 25700 10495 1 19 . 1 1 40 40 ALA HA H 40 4.051 4.051 4.221 -0.170 25700 10496 1 19 . 1 1 40 40 ALA C C 40 178.917 178.917 178.408 0.509 25700 10497 1 19 . 1 1 40 40 ALA CA C 40 54.841 54.841 54.723 0.118 25700 10498 1 19 . 1 1 40 40 ALA CB C 40 18.293 18.293 18.572 -0.279 25700 10499 1 19 . 1 1 40 40 ALA H H 40 8.766 8.766 8.460 0.306 25700 10500 1 19 . 1 1 41 41 ALA N N 41 117.569 117.569 118.836 -1.267 25700 10501 1 19 . 1 1 41 41 ALA HA H 41 4.419 4.419 4.436 -0.017 25700 10502 1 19 . 1 1 41 41 ALA C C 41 177.136 177.136 177.666 -0.530 25700 10503 1 19 . 1 1 41 41 ALA CA C 41 51.929 51.929 51.251 0.678 25700 10504 1 19 . 1 1 41 41 ALA CB C 41 18.774 18.774 18.739 0.035 25700 10505 1 19 . 1 1 41 41 ALA H H 41 8.300 8.300 8.084 0.216 25700 10506 1 19 . 1 1 42 42 GLY N N 42 106.796 106.796 107.110 -0.314 25700 10507 1 19 . 1 1 42 42 GLY C C 42 173.379 173.379 172.617 0.762 25700 10508 1 19 . 1 1 42 42 GLY CA C 42 44.336 44.336 44.312 0.024 25700 10509 1 19 . 1 1 42 42 GLY H H 42 7.577 7.577 7.620 -0.043 25700 10510 1 19 . 1 1 43 43 THR N N 43 116.541 116.541 112.536 4.005 25700 10511 1 19 . 1 1 43 43 THR HA H 43 5.263 5.263 5.232 0.031 25700 10512 1 19 . 1 1 43 43 THR C C 43 174.244 174.244 174.136 0.108 25700 10513 1 19 . 1 1 43 43 THR CA C 43 61.137 61.137 61.085 0.052 25700 10514 1 19 . 1 1 43 43 THR CB C 43 70.759 70.759 71.067 -0.308 25700 10515 1 19 . 1 1 43 43 THR H H 43 8.526 8.526 8.304 0.222 25700 10516 1 19 . 1 1 44 44 SER N N 44 120.903 120.903 116.132 4.771 25700 10517 1 19 . 1 1 44 44 SER HA H 44 4.759 4.759 4.732 0.027 25700 10518 1 19 . 1 1 44 44 SER C C 44 172.241 172.241 172.430 -0.189 25700 10519 1 19 . 1 1 44 44 SER CA C 44 57.340 57.340 57.628 -0.288 25700 10520 1 19 . 1 1 44 44 SER CB C 44 65.568 65.568 66.517 -0.949 25700 10521 1 19 . 1 1 44 44 SER H H 44 8.904 8.904 9.017 -0.113 25700 10522 1 19 . 1 1 45 45 ARG N N 45 124.546 124.546 122.020 2.526 25700 10523 1 19 . 1 1 45 45 ARG HA H 45 5.489 5.489 5.196 0.293 25700 10524 1 19 . 1 1 45 45 ARG C C 45 175.520 175.520 175.432 0.088 25700 10525 1 19 . 1 1 45 45 ARG CA C 45 55.101 55.101 55.291 -0.190 25700 10526 1 19 . 1 1 45 45 ARG CB C 45 32.760 32.760 32.503 0.257 25700 10527 1 19 . 1 1 45 45 ARG H H 45 8.579 8.579 8.524 0.055 25700 10528 1 19 . 1 1 46 46 ILE N N 46 127.920 127.920 128.051 -0.131 25700 10529 1 19 . 1 1 46 46 ILE HA H 46 4.460 4.460 4.336 0.124 25700 10530 1 19 . 1 1 46 46 ILE C C 46 174.450 174.450 174.912 -0.462 25700 10531 1 19 . 1 1 46 46 ILE CA C 46 60.220 60.220 60.281 -0.060 25700 10532 1 19 . 1 1 46 46 ILE CB C 46 41.290 41.290 40.713 0.577 25700 10533 1 19 . 1 1 46 46 ILE H H 46 9.344 9.344 9.324 0.020 25700 10534 1 19 . 1 1 47 47 LYS N N 47 126.061 126.061 127.238 -1.177 25700 10535 1 19 . 1 1 47 47 LYS HA H 47 5.514 5.514 4.715 0.799 25700 10536 1 19 . 1 1 47 47 LYS C C 47 175.790 175.790 175.306 0.484 25700 10537 1 19 . 1 1 47 47 LYS CA C 47 54.870 54.870 55.191 -0.321 25700 10538 1 19 . 1 1 47 47 LYS CB C 47 35.386 35.386 33.864 1.522 25700 10539 1 19 . 1 1 47 47 LYS H H 47 8.734 8.734 8.665 0.069 25700 10540 1 19 . 1 1 48 48 GLN N N 48 122.633 122.633 125.094 -2.461 25700 10541 1 19 . 1 1 48 48 GLN HA H 48 4.669 4.669 4.646 0.023 25700 10542 1 19 . 1 1 48 48 GLN C C 48 173.659 173.659 173.783 -0.124 25700 10543 1 19 . 1 1 48 48 GLN CA C 48 54.895 54.895 55.075 -0.180 25700 10544 1 19 . 1 1 48 48 GLN CB C 48 33.072 33.072 32.478 0.594 25700 10545 1 19 . 1 1 48 48 GLN H H 48 9.228 9.228 8.950 0.278 25700 10546 1 19 . 1 1 49 49 ALA N N 49 125.634 125.634 125.850 -0.216 25700 10547 1 19 . 1 1 49 49 ALA HA H 49 4.544 4.544 5.269 -0.725 25700 10548 1 19 . 1 1 49 49 ALA C C 49 175.881 175.881 176.223 -0.342 25700 10549 1 19 . 1 1 49 49 ALA CA C 49 50.993 50.993 51.054 -0.061 25700 10550 1 19 . 1 1 49 49 ALA CB C 49 22.620 22.620 21.736 0.884 25700 10551 1 19 . 1 1 49 49 ALA H H 49 8.557 8.557 8.460 0.097 25700 10552 1 19 . 1 1 50 50 GLY N N 50 105.483 105.483 107.673 -2.190 25700 10553 1 19 . 1 1 50 50 GLY C C 50 170.217 170.217 171.560 -1.343 25700 10554 1 19 . 1 1 50 50 GLY CA C 50 45.670 45.670 46.113 -0.443 25700 10555 1 19 . 1 1 50 50 GLY H H 50 6.865 6.865 8.390 -1.525 25700 10556 1 19 . 1 1 51 51 ALA N N 51 122.908 122.908 121.925 0.983 25700 10557 1 19 . 1 1 51 51 ALA HA H 51 5.265 5.265 4.845 0.420 25700 10558 1 19 . 1 1 51 51 ALA C C 51 176.793 176.793 175.168 1.625 25700 10559 1 19 . 1 1 51 51 ALA CA C 51 50.736 50.736 50.717 0.019 25700 10560 1 19 . 1 1 51 51 ALA CB C 51 21.840 21.840 21.670 0.170 25700 10561 1 19 . 1 1 51 51 ALA H H 51 8.522 8.522 8.105 0.417 25700 10562 1 19 . 1 1 52 52 PHE N N 52 115.156 115.156 121.094 -5.938 25700 10563 1 19 . 1 1 52 52 PHE HA H 52 5.106 5.106 4.883 0.223 25700 10564 1 19 . 1 1 52 52 PHE C C 52 172.832 172.832 173.827 -0.995 25700 10565 1 19 . 1 1 52 52 PHE CA C 52 56.890 56.890 56.429 0.461 25700 10566 1 19 . 1 1 52 52 PHE CB C 52 42.428 42.428 42.965 -0.537 25700 10567 1 19 . 1 1 52 52 PHE H H 52 8.191 8.191 8.959 -0.768 25700 10568 1 19 . 1 1 53 53 THR N N 53 116.180 116.180 115.901 0.279 25700 10569 1 19 . 1 1 53 53 THR HA H 53 4.631 4.631 4.567 0.064 25700 10570 1 19 . 1 1 53 53 THR C C 53 172.769 172.769 173.090 -0.321 25700 10571 1 19 . 1 1 53 53 THR CA C 53 61.610 61.610 60.896 0.714 25700 10572 1 19 . 1 1 53 53 THR CB C 53 70.736 70.736 68.266 2.470 25700 10573 1 19 . 1 1 53 53 THR H H 53 8.650 8.650 6.771 1.879 25700 10574 1 19 . 1 1 54 54 ALA N N 54 127.969 127.969 129.727 -1.758 25700 10575 1 19 . 1 1 54 54 ALA HA H 54 4.748 4.748 4.689 0.059 25700 10576 1 19 . 1 1 54 54 ALA C C 54 176.369 176.369 175.055 1.314 25700 10577 1 19 . 1 1 54 54 ALA CA C 54 51.397 51.397 50.440 0.957 25700 10578 1 19 . 1 1 54 54 ALA CB C 54 22.010 22.010 22.191 -0.180 25700 10579 1 19 . 1 1 54 54 ALA H H 54 9.353 9.353 8.345 1.008 25700 10580 1 19 . 1 1 55 55 ILE N N 55 123.326 123.326 120.830 2.496 25700 10581 1 19 . 1 1 55 55 ILE HA H 55 4.391 4.391 4.323 0.068 25700 10582 1 19 . 1 1 55 55 ILE C C 55 176.079 176.079 175.580 0.499 25700 10583 1 19 . 1 1 55 55 ILE CA C 55 59.138 59.138 59.898 -0.759 25700 10584 1 19 . 1 1 55 55 ILE CB C 55 39.451 39.451 40.793 -1.342 25700 10585 1 19 . 1 1 55 55 ILE H H 55 7.856 7.856 8.605 -0.749 25700 10586 1 19 . 1 1 56 56 ALA N N 56 130.280 130.280 127.974 2.306 25700 10587 1 19 . 1 1 56 56 ALA HA H 56 3.493 3.493 4.354 -0.861 25700 10588 1 19 . 1 1 56 56 ALA C C 56 177.405 177.405 177.660 -0.255 25700 10589 1 19 . 1 1 56 56 ALA CA C 56 54.156 54.156 52.395 1.761 25700 10590 1 19 . 1 1 56 56 ALA CB C 56 18.871 18.871 18.753 0.118 25700 10591 1 19 . 1 1 56 56 ALA H H 56 9.104 9.104 8.443 0.661 25700 10592 1 19 . 1 1 57 57 GLU N N 57 113.081 113.081 119.369 -6.288 25700 10593 1 19 . 1 1 57 57 GLU HA H 57 3.614 3.614 3.773 -0.159 25700 10594 1 19 . 1 1 57 57 GLU C C 57 174.959 174.959 175.015 -0.056 25700 10595 1 19 . 1 1 57 57 GLU CA C 57 58.080 58.080 57.511 0.569 25700 10596 1 19 . 1 1 57 57 GLU CB C 57 27.141 27.141 28.259 -1.118 25700 10597 1 19 . 1 1 57 57 GLU H H 57 9.007 9.007 8.891 0.116 25700 10598 1 19 . 1 1 58 58 GLN N N 58 119.796 119.796 118.094 1.702 25700 10599 1 19 . 1 1 58 58 GLN HA H 58 4.519 4.519 4.592 -0.073 25700 10600 1 19 . 1 1 58 58 GLN C C 58 175.217 175.217 174.702 0.515 25700 10601 1 19 . 1 1 58 58 GLN CA C 58 54.379 54.379 54.118 0.261 25700 10602 1 19 . 1 1 58 58 GLN CB C 58 30.102 30.102 31.730 -1.628 25700 10603 1 19 . 1 1 58 58 GLN H H 58 8.061 8.061 7.801 0.260 25700 10604 1 19 . 1 1 59 59 ARG N N 59 124.810 124.810 124.904 -0.094 25700 10605 1 19 . 1 1 59 59 ARG HA H 59 4.286 4.286 4.384 -0.098 25700 10606 1 19 . 1 1 59 59 ARG C C 59 176.396 176.396 175.974 0.422 25700 10607 1 19 . 1 1 59 59 ARG CA C 59 56.810 56.810 56.206 0.604 25700 10608 1 19 . 1 1 59 59 ARG CB C 59 30.906 30.906 30.407 0.499 25700 10609 1 19 . 1 1 59 59 ARG H H 59 8.486 8.486 8.628 -0.142 25700 10610 1 19 . 1 1 60 60 VAL N N 60 127.238 127.238 128.236 -0.998 25700 10611 1 19 . 1 1 60 60 VAL HA H 60 4.319 4.319 4.374 -0.055 25700 10612 1 19 . 1 1 60 60 VAL C C 60 174.543 174.543 174.874 -0.331 25700 10613 1 19 . 1 1 60 60 VAL CA C 60 61.227 61.227 61.084 0.143 25700 10614 1 19 . 1 1 60 60 VAL CB C 60 34.177 34.177 33.706 0.471 25700 10615 1 19 . 1 1 60 60 VAL H H 60 9.033 9.033 9.220 -0.186 25700 10616 1 19 . 1 1 61 61 THR N N 61 120.913 120.913 124.219 -3.306 25700 10617 1 19 . 1 1 61 61 THR HA H 61 5.096 5.096 4.715 0.381 25700 10618 1 19 . 1 1 61 61 THR C C 61 174.645 174.645 173.578 1.067 25700 10619 1 19 . 1 1 61 61 THR CA C 61 60.686 60.686 62.437 -1.751 25700 10620 1 19 . 1 1 61 61 THR CB C 61 69.710 69.710 69.440 0.270 25700 10621 1 19 . 1 1 61 61 THR H H 61 8.340 8.340 8.583 -0.243 25700 10622 1 19 . 1 1 62 62 VAL N N 62 117.650 117.650 126.159 -8.509 25700 10623 1 19 . 1 1 62 62 VAL HA H 62 4.294 4.294 4.123 0.171 25700 10624 1 19 . 1 1 62 62 VAL C C 62 174.530 174.530 175.416 -0.886 25700 10625 1 19 . 1 1 62 62 VAL CA C 62 58.641 58.641 60.562 -1.921 25700 10626 1 19 . 1 1 62 62 VAL CB C 62 34.263 34.263 34.860 -0.597 25700 10627 1 19 . 1 1 62 62 VAL H H 62 8.658 8.658 8.863 -0.205 25700 10628 1 19 . 1 1 63 63 GLY N N 63 107.924 107.924 114.012 -6.088 25700 10629 1 19 . 1 1 63 63 GLY C C 63 172.475 172.475 172.824 -0.349 25700 10630 1 19 . 1 1 63 63 GLY CA C 63 43.668 43.668 44.892 -1.224 25700 10631 1 19 . 1 1 63 63 GLY H H 63 7.857 7.857 8.548 -0.691 25700 10632 1 19 . 1 1 64 64 ASN N N 64 116.073 116.073 118.058 -1.985 25700 10633 1 19 . 1 1 64 64 ASN HA H 64 4.530 4.530 4.711 -0.181 25700 10634 1 19 . 1 1 64 64 ASN C C 64 173.307 173.307 175.023 -1.716 25700 10635 1 19 . 1 1 64 64 ASN CA C 64 55.380 55.380 52.128 3.252 25700 10636 1 19 . 1 1 64 64 ASN CB C 64 39.159 39.159 39.106 0.053 25700 10637 1 19 . 1 1 64 64 ASN H H 64 8.933 8.933 7.927 1.006 25700 10638 1 19 . 1 1 65 65 VAL N N 65 126.612 126.612 117.975 8.637 25700 10639 1 19 . 1 1 65 65 VAL HA H 65 4.238 4.238 4.491 -0.253 25700 10640 1 19 . 1 1 65 65 VAL C C 65 173.538 173.538 173.920 -0.382 25700 10641 1 19 . 1 1 65 65 VAL CA C 65 61.970 61.970 60.293 1.677 25700 10642 1 19 . 1 1 65 65 VAL CB C 65 33.829 33.829 35.447 -1.618 25700 10643 1 19 . 1 1 65 65 VAL H H 65 8.548 8.548 8.143 0.405 25700 10644 1 19 . 1 1 66 66 VAL N N 66 127.886 127.886 126.615 1.271 25700 10645 1 19 . 1 1 66 66 VAL HA H 66 4.990 4.990 4.666 0.324 25700 10646 1 19 . 1 1 66 66 VAL C C 66 175.271 175.271 175.372 -0.101 25700 10647 1 19 . 1 1 66 66 VAL CA C 66 61.360 61.360 60.824 0.536 25700 10648 1 19 . 1 1 66 66 VAL CB C 66 32.923 32.923 32.962 -0.039 25700 10649 1 19 . 1 1 66 66 VAL H H 66 8.364 8.364 8.103 0.261 25700 10650 1 19 . 1 1 67 67 LEU N N 67 126.454 126.454 128.095 -1.641 25700 10651 1 19 . 1 1 67 67 LEU HA H 67 4.955 4.955 4.754 0.201 25700 10652 1 19 . 1 1 67 67 LEU C C 67 176.547 176.547 175.906 0.641 25700 10653 1 19 . 1 1 67 67 LEU CA C 67 52.492 52.492 52.104 0.388 25700 10654 1 19 . 1 1 67 67 LEU CB C 67 46.685 46.685 43.225 3.460 25700 10655 1 19 . 1 1 67 67 LEU H H 67 9.050 9.050 9.218 -0.168 25700 10656 1 19 . 1 1 68 68 ASP N N 68 119.799 119.799 119.891 -0.092 25700 10657 1 19 . 1 1 68 68 ASP HA H 68 4.609 4.609 4.714 -0.105 25700 10658 1 19 . 1 1 68 68 ASP C C 68 176.247 176.247 175.769 0.478 25700 10659 1 19 . 1 1 68 68 ASP CA C 68 55.492 55.492 53.727 1.765 25700 10660 1 19 . 1 1 68 68 ASP CB C 68 40.566 40.566 41.255 -0.689 25700 10661 1 19 . 1 1 68 68 ASP H H 68 8.722 8.722 8.750 -0.028 25700 10662 1 19 . 1 1 69 69 TYR N N 69 123.398 123.398 126.143 -2.745 25700 10663 1 19 . 1 1 69 69 TYR HA H 69 4.651 4.651 4.594 0.057 25700 10664 1 19 . 1 1 69 69 TYR C C 69 174.253 174.253 174.094 0.159 25700 10665 1 19 . 1 1 69 69 TYR CA C 69 57.767 57.767 58.920 -1.153 25700 10666 1 19 . 1 1 69 69 TYR CB C 69 40.067 40.067 38.825 1.242 25700 10667 1 19 . 1 1 69 69 TYR H H 69 8.603 8.603 7.991 0.612 25700 10668 1 19 . 1 1 70 70 SER N N 70 121.308 121.308 121.141 0.167 25700 10669 1 19 . 1 1 70 70 SER HA H 70 4.059 4.059 4.151 -0.092 25700 10670 1 19 . 1 1 70 70 SER C C 70 174.851 174.851 174.335 0.516 25700 10671 1 19 . 1 1 70 70 SER CA C 70 56.341 56.341 56.329 0.012 25700 10672 1 19 . 1 1 70 70 SER CB C 70 64.634 64.634 65.653 -1.019 25700 10673 1 19 . 1 1 70 70 SER H H 70 6.749 6.749 8.250 -1.501 25700 10674 1 19 . 1 1 71 71 SER N N 71 122.764 122.764 120.582 2.182 25700 10675 1 19 . 1 1 71 71 SER HA H 71 4.221 4.221 4.358 -0.137 25700 10676 1 19 . 1 1 71 71 SER C C 71 174.098 174.098 174.750 -0.652 25700 10677 1 19 . 1 1 71 71 SER CA C 71 60.326 60.326 60.371 -0.045 25700 10678 1 19 . 1 1 71 71 SER CB C 71 62.814 62.814 63.457 -0.643 25700 10679 1 19 . 1 1 71 71 SER H H 71 8.907 8.907 8.330 0.577 25700 10680 1 19 . 1 1 72 72 ALA N N 72 122.199 122.199 122.138 0.061 25700 10681 1 19 . 1 1 72 72 ALA HA H 72 4.320 4.320 4.416 -0.096 25700 10682 1 19 . 1 1 72 72 ALA C C 72 177.749 177.749 176.707 1.042 25700 10683 1 19 . 1 1 72 72 ALA CA C 72 52.283 52.283 51.785 0.498 25700 10684 1 19 . 1 1 72 72 ALA CB C 72 18.950 18.950 18.958 -0.008 25700 10685 1 19 . 1 1 72 72 ALA H H 72 7.869 7.869 7.738 0.131 25700 10686 1 19 . 1 1 73 73 ASN N N 73 116.297 116.297 117.919 -1.622 25700 10687 1 19 . 1 1 73 73 ASN HA H 73 5.076 5.076 4.508 0.568 25700 10688 1 19 . 1 1 73 73 ASN C C 73 173.794 173.794 174.620 -0.826 25700 10689 1 19 . 1 1 73 73 ASN CA C 73 51.612 51.612 52.757 -1.145 25700 10690 1 19 . 1 1 73 73 ASN CB C 73 40.647 40.647 39.140 1.507 25700 10691 1 19 . 1 1 73 73 ASN H H 73 7.265 7.265 7.457 -0.192 25700 10692 1 19 . 1 1 74 74 ARG N N 74 118.937 118.937 124.473 -5.536 25700 10693 1 19 . 1 1 74 74 ARG HA H 74 4.684 4.684 4.430 0.254 25700 10694 1 19 . 1 1 74 74 ARG C C 74 174.943 174.943 174.125 0.818 25700 10695 1 19 . 1 1 74 74 ARG CA C 74 54.523 54.523 54.241 0.282 25700 10696 1 19 . 1 1 74 74 ARG CB C 74 32.331 32.331 29.603 2.728 25700 10697 1 19 . 1 1 74 74 ARG H H 74 8.529 8.529 8.012 0.517 25700 10698 1 19 . 1 1 75 75 TYR N N 75 122.282 122.282 124.175 -1.893 25700 10699 1 19 . 1 1 75 75 TYR HA H 75 5.159 5.159 4.753 0.406 25700 10700 1 19 . 1 1 75 75 TYR C C 75 173.593 173.593 174.103 -0.510 25700 10701 1 19 . 1 1 75 75 TYR CA C 75 57.080 57.080 57.047 0.033 25700 10702 1 19 . 1 1 75 75 TYR CB C 75 41.202 41.202 41.053 0.149 25700 10703 1 19 . 1 1 75 75 TYR H H 75 8.691 8.691 8.295 0.396 25700 10704 1 19 . 1 1 76 76 ALA N N 76 122.606 122.606 124.616 -2.010 25700 10705 1 19 . 1 1 76 76 ALA HA H 76 4.788 4.788 4.861 -0.073 25700 10706 1 19 . 1 1 76 76 ALA C C 76 175.765 175.765 174.881 0.884 25700 10707 1 19 . 1 1 76 76 ALA CA C 76 50.543 50.543 49.972 0.570 25700 10708 1 19 . 1 1 76 76 ALA CB C 76 23.070 23.070 22.851 0.219 25700 10709 1 19 . 1 1 76 76 ALA H H 76 8.688 8.688 9.156 -0.468 25700 10710 1 19 . 1 1 77 77 ALA N N 77 119.325 119.325 120.730 -1.405 25700 10711 1 19 . 1 1 77 77 ALA HA H 77 5.488 5.488 5.367 0.121 25700 10712 1 19 . 1 1 77 77 ALA C C 77 174.473 174.473 175.387 -0.914 25700 10713 1 19 . 1 1 77 77 ALA CA C 77 51.813 51.813 51.105 0.708 25700 10714 1 19 . 1 1 77 77 ALA CB C 77 24.137 24.137 22.859 1.278 25700 10715 1 19 . 1 1 77 77 ALA H H 77 8.584 8.584 8.172 0.412 25700 10716 1 19 . 1 1 78 78 ARG N N 78 122.822 122.822 119.015 3.807 25700 10717 1 19 . 1 1 78 78 ARG HA H 78 4.938 4.938 5.501 -0.563 25700 10718 1 19 . 1 1 78 78 ARG C C 78 173.170 173.170 173.981 -0.811 25700 10719 1 19 . 1 1 78 78 ARG CA C 78 54.890 54.890 55.348 -0.458 25700 10720 1 19 . 1 1 78 78 ARG CB C 78 34.467 34.467 33.092 1.375 25700 10721 1 19 . 1 1 78 78 ARG H H 78 8.807 8.807 9.193 -0.386 25700 10722 1 19 . 1 1 79 79 LEU N N 79 130.548 130.548 126.965 3.583 25700 10723 1 19 . 1 1 79 79 LEU HA H 79 5.440 5.440 5.206 0.234 25700 10724 1 19 . 1 1 79 79 LEU C C 79 173.434 173.434 174.627 -1.193 25700 10725 1 19 . 1 1 79 79 LEU CA C 79 53.186 53.186 53.304 -0.118 25700 10726 1 19 . 1 1 79 79 LEU CB C 79 45.369 45.369 45.454 -0.085 25700 10727 1 19 . 1 1 79 79 LEU H H 79 9.055 9.055 9.060 -0.005 25700 10728 1 19 . 1 1 80 80 ASP N N 80 125.928 125.928 127.306 -1.378 25700 10729 1 19 . 1 1 80 80 ASP HA H 80 5.480 5.480 5.413 0.067 25700 10730 1 19 . 1 1 80 80 ASP C C 80 175.805 175.805 174.831 0.974 25700 10731 1 19 . 1 1 80 80 ASP CA C 80 53.794 53.794 52.924 0.870 25700 10732 1 19 . 1 1 80 80 ASP CB C 80 44.119 44.119 43.722 0.397 25700 10733 1 19 . 1 1 80 80 ASP H H 80 9.251 9.251 9.184 0.067 25700 10734 1 19 . 1 1 81 81 VAL N N 81 123.295 123.295 126.753 -3.458 25700 10735 1 19 . 1 1 81 81 VAL HA H 81 4.843 4.843 4.531 0.312 25700 10736 1 19 . 1 1 81 81 VAL C C 81 174.136 174.136 174.455 -0.319 25700 10737 1 19 . 1 1 81 81 VAL CA C 81 61.438 61.438 61.210 0.228 25700 10738 1 19 . 1 1 81 81 VAL CB C 81 35.299 35.299 32.405 2.894 25700 10739 1 19 . 1 1 81 81 VAL H H 81 8.947 8.947 8.978 -0.031 25700 10740 1 19 . 1 1 82 82 SER N N 82 122.698 122.698 123.464 -0.766 25700 10741 1 19 . 1 1 82 82 SER HA H 82 5.380 5.380 5.364 0.016 25700 10742 1 19 . 1 1 82 82 SER C C 82 173.016 173.016 173.442 -0.426 25700 10743 1 19 . 1 1 82 82 SER CA C 82 57.195 57.195 56.566 0.629 25700 10744 1 19 . 1 1 82 82 SER CB C 82 64.477 64.477 64.475 0.002 25700 10745 1 19 . 1 1 82 82 SER H H 82 9.026 9.026 8.878 0.148 25700 10746 1 19 . 1 1 83 83 PHE N N 83 127.305 127.305 128.081 -0.776 25700 10747 1 19 . 1 1 83 83 PHE HA H 83 4.781 4.781 4.917 -0.136 25700 10748 1 19 . 1 1 83 83 PHE C C 83 174.741 174.741 175.689 -0.948 25700 10749 1 19 . 1 1 83 83 PHE CA C 83 57.376 57.376 57.211 0.165 25700 10750 1 19 . 1 1 83 83 PHE CB C 83 42.094 42.094 40.865 1.228 25700 10751 1 19 . 1 1 83 83 PHE H H 83 9.012 9.012 8.712 0.300 25700 10752 1 19 . 1 1 84 84 GLY N N 84 117.337 117.337 116.734 0.603 25700 10753 1 19 . 1 1 84 84 GLY C C 84 175.295 175.295 175.174 0.121 25700 10754 1 19 . 1 1 84 84 GLY CA C 84 47.086 47.086 46.381 0.705 25700 10755 1 19 . 1 1 84 84 GLY H H 84 8.784 8.784 8.510 0.274 25700 10756 1 19 . 1 1 85 85 SER N N 85 120.553 120.553 119.853 0.700 25700 10757 1 19 . 1 1 85 85 SER HA H 85 4.383 4.383 4.454 -0.071 25700 10758 1 19 . 1 1 85 85 SER C C 85 173.796 173.796 175.002 -1.206 25700 10759 1 19 . 1 1 85 85 SER CA C 85 59.095 59.095 58.772 0.323 25700 10760 1 19 . 1 1 85 85 SER CB C 85 63.360 63.360 64.222 -0.862 25700 10761 1 19 . 1 1 85 85 SER H H 85 8.687 8.687 8.445 0.242 25700 10762 1 19 . 1 1 86 86 VAL N N 86 121.297 121.297 123.494 -2.197 25700 10763 1 19 . 1 1 86 86 VAL HA H 86 4.504 4.504 4.255 0.249 25700 10764 1 19 . 1 1 86 86 VAL C C 86 174.888 174.888 173.877 1.011 25700 10765 1 19 . 1 1 86 86 VAL CA C 86 61.610 61.610 62.001 -0.391 25700 10766 1 19 . 1 1 86 86 VAL CB C 86 34.210 34.210 32.765 1.445 25700 10767 1 19 . 1 1 86 86 VAL H H 86 7.963 7.963 7.380 0.583 25700 10768 1 19 . 1 1 87 87 THR N N 87 119.631 119.631 124.020 -4.389 25700 10769 1 19 . 1 1 87 87 THR HA H 87 5.551 5.551 5.426 0.125 25700 10770 1 19 . 1 1 87 87 THR C C 87 174.271 174.271 173.485 0.786 25700 10771 1 19 . 1 1 87 87 THR CA C 87 60.550 60.550 61.219 -0.669 25700 10772 1 19 . 1 1 87 87 THR CB C 87 71.350 71.350 69.946 1.404 25700 10773 1 19 . 1 1 87 87 THR H H 87 8.302 8.302 8.425 -0.123 25700 10774 1 19 . 1 1 88 88 ILE N N 88 118.811 118.811 122.197 -3.386 25700 10775 1 19 . 1 1 88 88 ILE HA H 88 4.858 4.858 4.797 0.061 25700 10776 1 19 . 1 1 88 88 ILE C C 88 174.300 174.300 173.291 1.009 25700 10777 1 19 . 1 1 88 88 ILE CA C 88 59.380 59.380 59.117 0.263 25700 10778 1 19 . 1 1 88 88 ILE CB C 88 43.170 43.170 42.470 0.700 25700 10779 1 19 . 1 1 88 88 ILE H H 88 8.986 8.986 8.771 0.215 25700 10780 1 19 . 1 1 89 89 GLN N N 89 120.806 120.806 118.105 2.701 25700 10781 1 19 . 1 1 89 89 GLN HA H 89 5.814 5.814 5.618 0.196 25700 10782 1 19 . 1 1 89 89 GLN C C 89 175.021 175.021 174.414 0.607 25700 10783 1 19 . 1 1 89 89 GLN CA C 89 54.171 54.171 54.563 -0.392 25700 10784 1 19 . 1 1 89 89 GLN CB C 89 34.262 34.262 32.558 1.704 25700 10785 1 19 . 1 1 89 89 GLN H H 89 8.481 8.481 8.333 0.148 25700 10786 1 19 . 1 1 90 90 CYS N N 90 118.531 118.531 120.699 -2.168 25700 10787 1 19 . 1 1 90 90 CYS HA H 90 5.010 5.010 4.920 0.090 25700 10788 1 19 . 1 1 90 90 CYS C C 90 172.402 172.402 172.933 -0.531 25700 10789 1 19 . 1 1 90 90 CYS CA C 90 54.874 54.874 57.890 -3.016 25700 10790 1 19 . 1 1 90 90 CYS CB C 90 50.267 50.267 31.384 18.884 25700 10791 1 19 . 1 1 90 90 CYS H H 90 9.151 9.151 8.972 0.179 25700 10792 1 19 . 1 1 91 91 ASN N N 91 116.449 116.449 118.980 -2.531 25700 10793 1 19 . 1 1 91 91 ASN HA H 91 5.615 5.615 5.524 0.091 25700 10794 1 19 . 1 1 91 91 ASN C C 91 174.994 174.994 174.259 0.735 25700 10795 1 19 . 1 1 91 91 ASN CA C 91 52.484 52.484 52.764 -0.280 25700 10796 1 19 . 1 1 91 91 ASN CB C 91 43.331 43.331 41.486 1.845 25700 10797 1 19 . 1 1 91 91 ASN H H 91 8.791 8.791 8.474 0.317 25700 10798 1 19 . 1 1 92 92 LEU N N 92 123.391 123.391 125.538 -2.147 25700 10799 1 19 . 1 1 92 92 LEU HA H 92 4.286 4.286 4.443 -0.157 25700 10800 1 19 . 1 1 92 92 LEU C C 92 176.188 176.188 176.210 -0.022 25700 10801 1 19 . 1 1 92 92 LEU CA C 92 54.863 54.863 54.783 0.079 25700 10802 1 19 . 1 1 92 92 LEU CB C 92 45.064 45.064 43.221 1.843 25700 10803 1 19 . 1 1 92 92 LEU H H 92 8.597 8.597 8.865 -0.268 25700 10804 1 19 . 1 1 93 93 ASP N N 93 129.020 129.020 128.560 0.460 25700 10805 1 19 . 1 1 93 93 ASP HA H 93 5.160 5.160 4.948 0.212 25700 10806 1 19 . 1 1 93 93 ASP C C 93 175.761 175.761 175.568 0.193 25700 10807 1 19 . 1 1 93 93 ASP CA C 93 50.948 50.948 52.486 -1.538 25700 10808 1 19 . 1 1 93 93 ASP CB C 93 41.136 41.136 41.959 -0.823 25700 10809 1 19 . 1 1 93 93 ASP H H 93 9.146 9.146 8.674 0.472 25700 10810 1 19 . 1 1 94 94 PRO HA H 94 4.304 4.304 4.591 -0.287 25700 10811 1 19 . 1 1 94 94 PRO C C 94 178.637 178.637 178.212 0.425 25700 10812 1 19 . 1 1 94 94 PRO CA C 94 64.830 64.830 64.931 -0.101 25700 10813 1 19 . 1 1 94 94 PRO CB C 94 32.579 32.579 32.079 0.500 25700 10814 1 19 . 1 1 95 95 GLU N N 95 116.747 116.747 116.731 0.016 25700 10815 1 19 . 1 1 95 95 GLU HA H 95 4.223 4.223 4.173 0.050 25700 10816 1 19 . 1 1 95 95 GLU C C 95 177.994 177.994 176.751 1.243 25700 10817 1 19 . 1 1 95 95 GLU CA C 95 57.773 57.773 57.712 0.062 25700 10818 1 19 . 1 1 95 95 GLU CB C 95 29.084 29.084 28.655 0.429 25700 10819 1 19 . 1 1 95 95 GLU H H 95 8.358 8.358 8.682 -0.324 25700 10820 1 19 . 1 1 96 96 THR N N 96 109.182 109.182 108.170 1.012 25700 10821 1 19 . 1 1 96 96 THR HA H 96 4.169 4.169 4.431 -0.262 25700 10822 1 19 . 1 1 96 96 THR C C 96 175.238 175.238 175.675 -0.437 25700 10823 1 19 . 1 1 96 96 THR CA C 96 63.038 63.038 62.728 0.310 25700 10824 1 19 . 1 1 96 96 THR CB C 96 69.640 69.640 69.782 -0.142 25700 10825 1 19 . 1 1 96 96 THR H H 96 7.951 7.951 7.760 0.191 25700 10826 1 19 . 1 1 97 97 VAL N N 97 121.118 121.118 121.458 -0.340 25700 10827 1 19 . 1 1 97 97 VAL HA H 97 3.770 3.770 3.725 0.045 25700 10828 1 19 . 1 1 97 97 VAL C C 97 174.851 174.851 176.493 -1.642 25700 10829 1 19 . 1 1 97 97 VAL CA C 97 63.272 63.272 65.714 -2.442 25700 10830 1 19 . 1 1 97 97 VAL CB C 97 30.627 30.627 31.768 -1.141 25700 10831 1 19 . 1 1 97 97 VAL H H 97 7.175 7.175 7.355 -0.180 25700 10832 1 19 . 1 1 98 98 LYS N N 98 123.245 123.245 119.456 3.789 25700 10833 1 19 . 1 1 98 98 LYS HA H 98 4.385 4.385 4.240 0.145 25700 10834 1 19 . 1 1 98 98 LYS C C 98 175.612 175.612 175.995 -0.383 25700 10835 1 19 . 1 1 98 98 LYS CA C 98 55.812 55.812 56.973 -1.161 25700 10836 1 19 . 1 1 98 98 LYS CB C 98 33.804 33.804 30.522 3.282 25700 10837 1 19 . 1 1 98 98 LYS H H 98 7.712 7.712 8.234 -0.522 25700 10838 1 19 . 1 1 99 99 LEU N N 99 122.457 122.457 120.798 1.659 25700 10839 1 19 . 1 1 99 99 LEU HA H 99 4.123 4.123 3.861 0.262 25700 10840 1 19 . 1 1 99 99 LEU C C 99 177.160 177.160 176.399 0.761 25700 10841 1 19 . 1 1 99 99 LEU CA C 99 55.309 55.309 55.532 -0.223 25700 10842 1 19 . 1 1 99 99 LEU CB C 99 42.319 42.319 39.349 2.970 25700 10843 1 19 . 1 1 99 99 LEU H H 99 8.110 8.110 8.452 -0.342 25700 10844 1 19 . 1 1 100 100 GLU N N 100 120.800 120.800 118.249 2.551 25700 10845 1 19 . 1 1 100 100 GLU HA H 100 4.151 4.151 4.336 -0.185 25700 10846 1 19 . 1 1 100 100 GLU C C 100 176.070 176.070 175.295 0.775 25700 10847 1 19 . 1 1 100 100 GLU CA C 100 56.740 56.740 55.096 1.643 25700 10848 1 19 . 1 1 100 100 GLU CB C 100 30.060 30.060 31.815 -1.755 25700 10849 1 19 . 1 1 100 100 GLU H H 100 8.340 8.340 7.601 0.739 25700 10850 1 20 . 1 1 2 2 VAL N N 2 123.080 123.080 120.112 2.968 25700 10851 1 20 . 1 1 2 2 VAL HA H 2 4.678 4.678 4.337 0.341 25700 10852 1 20 . 1 1 2 2 VAL C C 2 171.871 171.871 175.360 -3.489 25700 10853 1 20 . 1 1 2 2 VAL CA C 2 59.500 59.500 60.659 -1.159 25700 10854 1 20 . 1 1 2 2 VAL CB C 2 34.185 34.185 32.734 1.451 25700 10855 1 20 . 1 1 2 2 VAL H H 2 8.041 8.041 8.482 -0.441 25700 10856 1 20 . 1 1 3 3 GLN N N 3 123.080 123.080 121.603 1.477 25700 10857 1 20 . 1 1 3 3 GLN HA H 3 4.660 4.660 4.748 -0.088 25700 10858 1 20 . 1 1 3 3 GLN CA C 3 54.109 54.109 52.988 1.121 25700 10859 1 20 . 1 1 3 3 GLN CB C 3 33.338 33.338 32.557 0.781 25700 10860 1 20 . 1 1 3 3 GLN H H 3 8.126 8.126 9.095 -0.969 25700 10861 1 20 . 1 1 4 4 CYS N N 4 115.260 115.260 117.273 -2.013 25700 10862 1 20 . 1 1 4 4 CYS HA H 4 5.676 5.676 5.279 0.397 25700 10863 1 20 . 1 1 4 4 CYS C C 4 171.720 171.720 172.927 -1.207 25700 10864 1 20 . 1 1 4 4 CYS CA C 4 53.402 53.402 56.936 -3.534 25700 10865 1 20 . 1 1 4 4 CYS CB C 4 45.525 45.525 30.710 14.815 25700 10866 1 20 . 1 1 4 4 CYS H H 4 8.909 8.909 8.488 0.421 25700 10867 1 20 . 1 1 5 5 GLU N N 5 117.764 117.764 122.791 -5.027 25700 10868 1 20 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.754 -0.275 25700 10869 1 20 . 1 1 5 5 GLU C C 5 174.088 174.088 174.422 -0.334 25700 10870 1 20 . 1 1 5 5 GLU CA C 5 54.838 54.838 54.884 -0.046 25700 10871 1 20 . 1 1 5 5 GLU CB C 5 34.155 34.155 33.796 0.359 25700 10872 1 20 . 1 1 5 5 GLU H H 5 8.580 8.580 8.960 -0.380 25700 10873 1 20 . 1 1 6 6 VAL N N 6 120.471 120.471 115.546 4.925 25700 10874 1 20 . 1 1 6 6 VAL HA H 6 4.427 4.427 4.324 0.103 25700 10875 1 20 . 1 1 6 6 VAL C C 6 174.211 174.211 174.411 -0.200 25700 10876 1 20 . 1 1 6 6 VAL CA C 6 61.540 61.540 60.430 1.110 25700 10877 1 20 . 1 1 6 6 VAL CB C 6 32.618 32.618 33.004 -0.386 25700 10878 1 20 . 1 1 6 6 VAL H H 6 8.588 8.588 8.256 0.332 25700 10879 1 20 . 1 1 7 7 GLU N N 7 125.816 125.816 125.324 0.492 25700 10880 1 20 . 1 1 7 7 GLU HA H 7 4.548 4.548 4.716 -0.168 25700 10881 1 20 . 1 1 7 7 GLU C C 7 174.194 174.194 174.887 -0.693 25700 10882 1 20 . 1 1 7 7 GLU CA C 7 54.524 54.524 54.333 0.191 25700 10883 1 20 . 1 1 7 7 GLU CB C 7 33.291 33.291 33.921 -0.630 25700 10884 1 20 . 1 1 7 7 GLU H H 7 8.820 8.820 8.371 0.449 25700 10885 1 20 . 1 1 8 8 ALA N N 8 122.882 122.882 123.162 -0.280 25700 10886 1 20 . 1 1 8 8 ALA HA H 8 5.238 5.238 4.656 0.582 25700 10887 1 20 . 1 1 8 8 ALA C C 8 175.557 175.557 175.610 -0.053 25700 10888 1 20 . 1 1 8 8 ALA CA C 8 49.950 49.950 51.028 -1.078 25700 10889 1 20 . 1 1 8 8 ALA CB C 8 22.730 22.730 21.193 1.537 25700 10890 1 20 . 1 1 8 8 ALA H H 8 8.410 8.410 8.526 -0.116 25700 10891 1 20 . 1 1 9 9 ALA N N 9 124.110 124.110 128.452 -4.342 25700 10892 1 20 . 1 1 9 9 ALA HA H 9 4.691 4.691 4.945 -0.254 25700 10893 1 20 . 1 1 9 9 ALA C C 9 176.300 176.300 175.787 0.513 25700 10894 1 20 . 1 1 9 9 ALA CA C 9 50.825 50.825 50.319 0.506 25700 10895 1 20 . 1 1 9 9 ALA CB C 9 21.240 21.240 20.004 1.236 25700 10896 1 20 . 1 1 9 9 ALA H H 9 8.407 8.407 9.176 -0.769 25700 10897 1 20 . 1 1 10 10 VAL N N 10 126.780 126.780 126.385 0.395 25700 10898 1 20 . 1 1 10 10 VAL HA H 10 4.379 4.379 4.153 0.226 25700 10899 1 20 . 1 1 10 10 VAL C C 10 175.717 175.717 175.608 0.109 25700 10900 1 20 . 1 1 10 10 VAL CA C 10 61.580 61.580 63.122 -1.542 25700 10901 1 20 . 1 1 10 10 VAL CB C 10 32.209 32.209 32.067 0.142 25700 10902 1 20 . 1 1 10 10 VAL H H 10 8.860 8.860 8.316 0.544 25700 10903 1 20 . 1 1 11 11 SER N N 11 120.868 120.868 122.740 -1.872 25700 10904 1 20 . 1 1 11 11 SER HA H 11 4.448 4.448 4.685 -0.237 25700 10905 1 20 . 1 1 11 11 SER C C 11 175.498 175.498 174.225 1.273 25700 10906 1 20 . 1 1 11 11 SER CA C 11 57.590 57.590 57.010 0.580 25700 10907 1 20 . 1 1 11 11 SER CB C 11 64.000 64.000 66.028 -2.027 25700 10908 1 20 . 1 1 11 11 SER H H 11 8.478 8.478 8.859 -0.381 25700 10909 1 20 . 1 1 12 12 GLY N N 12 116.896 116.896 108.378 8.518 25700 10910 1 20 . 1 1 12 12 GLY C C 12 174.994 174.994 174.637 0.357 25700 10911 1 20 . 1 1 12 12 GLY CA C 12 47.515 47.515 45.603 1.911 25700 10912 1 20 . 1 1 12 12 GLY H H 12 9.120 9.120 8.472 0.648 25700 10913 1 20 . 1 1 13 13 GLY N N 13 108.984 108.984 113.537 -4.553 25700 10914 1 20 . 1 1 13 13 GLY C C 13 174.440 174.440 173.585 0.855 25700 10915 1 20 . 1 1 13 13 GLY CA C 13 45.383 45.383 44.808 0.575 25700 10916 1 20 . 1 1 13 13 GLY H H 13 8.816 8.816 8.050 0.766 25700 10917 1 20 . 1 1 14 14 HIS N N 14 118.737 118.737 118.811 -0.074 25700 10918 1 20 . 1 1 14 14 HIS HA H 14 5.458 5.458 5.324 0.134 25700 10919 1 20 . 1 1 14 14 HIS C C 14 172.243 172.243 172.951 -0.708 25700 10920 1 20 . 1 1 14 14 HIS CA C 14 54.905 54.905 55.555 -0.650 25700 10921 1 20 . 1 1 14 14 HIS CB C 14 32.311 32.311 34.375 -2.064 25700 10922 1 20 . 1 1 14 14 HIS H H 14 8.084 8.084 7.452 0.632 25700 10923 1 20 . 1 1 15 15 VAL N N 15 120.204 120.204 121.229 -1.025 25700 10924 1 20 . 1 1 15 15 VAL HA H 15 4.932 4.932 4.782 0.150 25700 10925 1 20 . 1 1 15 15 VAL C C 15 172.314 172.314 173.849 -1.535 25700 10926 1 20 . 1 1 15 15 VAL CA C 15 58.540 58.540 60.038 -1.498 25700 10927 1 20 . 1 1 15 15 VAL CB C 15 34.285 34.285 34.683 -0.398 25700 10928 1 20 . 1 1 15 15 VAL H H 15 9.369 9.369 9.276 0.093 25700 10929 1 20 . 1 1 16 16 THR N N 16 123.685 123.685 125.954 -2.269 25700 10930 1 20 . 1 1 16 16 THR HA H 16 5.220 5.220 4.802 0.418 25700 10931 1 20 . 1 1 16 16 THR C C 16 174.478 174.478 173.195 1.283 25700 10932 1 20 . 1 1 16 16 THR CA C 16 61.481 61.481 63.095 -1.614 25700 10933 1 20 . 1 1 16 16 THR CB C 16 70.017 70.017 69.172 0.845 25700 10934 1 20 . 1 1 16 16 THR H H 16 8.604 8.604 9.194 -0.590 25700 10935 1 20 . 1 1 17 17 LEU N N 17 128.958 128.958 129.518 -0.560 25700 10936 1 20 . 1 1 17 17 LEU HA H 17 5.407 5.407 4.728 0.679 25700 10937 1 20 . 1 1 17 17 LEU C C 17 174.481 174.481 174.256 0.225 25700 10938 1 20 . 1 1 17 17 LEU CA C 17 53.999 53.999 54.061 -0.062 25700 10939 1 20 . 1 1 17 17 LEU CB C 17 44.108 44.108 44.725 -0.617 25700 10940 1 20 . 1 1 17 17 LEU H H 17 9.627 9.627 9.320 0.307 25700 10941 1 20 . 1 1 18 18 GLN N N 18 115.227 115.227 120.552 -5.325 25700 10942 1 20 . 1 1 18 18 GLN HA H 18 4.465 4.465 5.062 -0.597 25700 10943 1 20 . 1 1 18 18 GLN C C 18 174.042 174.042 174.642 -0.600 25700 10944 1 20 . 1 1 18 18 GLN CA C 18 53.725 53.725 54.138 -0.413 25700 10945 1 20 . 1 1 18 18 GLN CB C 18 31.767 31.767 32.695 -0.928 25700 10946 1 20 . 1 1 18 18 GLN H H 18 8.243 8.243 8.656 -0.413 25700 10947 1 20 . 1 1 19 19 GLY N N 19 107.795 107.795 109.350 -1.555 25700 10948 1 20 . 1 1 19 19 GLY C C 19 172.005 172.005 172.755 -0.750 25700 10949 1 20 . 1 1 19 19 GLY CA C 19 44.485 44.485 43.906 0.579 25700 10950 1 20 . 1 1 19 19 GLY H H 19 9.100 9.100 9.088 0.012 25700 10951 1 20 . 1 1 20 20 VAL N N 20 120.951 120.951 126.773 -5.822 25700 10952 1 20 . 1 1 20 20 VAL HA H 20 4.634 4.634 4.128 0.506 25700 10953 1 20 . 1 1 20 20 VAL C C 20 175.670 175.670 174.956 0.714 25700 10954 1 20 . 1 1 20 20 VAL CA C 20 61.380 61.380 62.148 -0.768 25700 10955 1 20 . 1 1 20 20 VAL CB C 20 33.990 33.990 32.310 1.680 25700 10956 1 20 . 1 1 20 20 VAL H H 20 8.859 8.859 8.546 0.313 25700 10957 1 20 . 1 1 21 21 ILE N N 21 129.511 129.511 130.550 -1.039 25700 10958 1 20 . 1 1 21 21 ILE HA H 21 4.443 4.443 4.520 -0.077 25700 10959 1 20 . 1 1 21 21 ILE C C 21 174.567 174.567 175.515 -0.948 25700 10960 1 20 . 1 1 21 21 ILE CA C 21 59.883 59.883 60.272 -0.389 25700 10961 1 20 . 1 1 21 21 ILE CB C 21 41.152 41.152 39.010 2.142 25700 10962 1 20 . 1 1 21 21 ILE H H 21 9.304 9.304 9.201 0.103 25700 10963 1 20 . 1 1 22 22 THR N N 22 120.311 120.311 125.480 -5.169 25700 10964 1 20 . 1 1 22 22 THR HA H 22 4.479 4.479 4.902 -0.423 25700 10965 1 20 . 1 1 22 22 THR C C 22 172.996 172.996 173.386 -0.390 25700 10966 1 20 . 1 1 22 22 THR CA C 22 61.647 61.647 62.495 -0.848 25700 10967 1 20 . 1 1 22 22 THR CB C 22 70.230 70.230 69.638 0.592 25700 10968 1 20 . 1 1 22 22 THR H H 22 8.063 8.063 8.596 -0.533 25700 10969 1 20 . 1 1 23 23 ALA N N 23 104.959 104.959 129.587 -24.628 25700 10970 1 20 . 1 1 23 23 ALA HA H 23 5.056 5.056 4.788 0.268 25700 10971 1 20 . 1 1 23 23 ALA C C 23 177.722 177.722 177.182 0.540 25700 10972 1 20 . 1 1 23 23 ALA CA C 23 49.963 49.963 50.125 -0.162 25700 10973 1 20 . 1 1 23 23 ALA CB C 23 22.915 22.915 21.288 1.627 25700 10974 1 20 . 1 1 23 23 ALA H H 23 9.764 9.764 8.626 1.138 25700 10975 1 20 . 1 1 24 24 VAL N N 24 113.370 113.370 122.704 -9.334 25700 10976 1 20 . 1 1 24 24 VAL HA H 24 4.083 4.083 3.910 0.173 25700 10977 1 20 . 1 1 24 24 VAL C C 24 174.539 174.539 175.689 -1.150 25700 10978 1 20 . 1 1 24 24 VAL CA C 24 62.339 62.339 64.533 -2.194 25700 10979 1 20 . 1 1 24 24 VAL CB C 24 31.933 31.933 31.519 0.414 25700 10980 1 20 . 1 1 24 24 VAL H H 24 8.239 8.239 8.181 0.058 25700 10981 1 20 . 1 1 25 25 ARG N N 25 116.002 116.002 118.944 -2.942 25700 10982 1 20 . 1 1 25 25 ARG HA H 25 4.740 4.740 4.471 0.269 25700 10983 1 20 . 1 1 25 25 ARG C C 25 172.797 172.797 174.687 -1.890 25700 10984 1 20 . 1 1 25 25 ARG CA C 25 53.284 53.284 54.516 -1.232 25700 10985 1 20 . 1 1 25 25 ARG CB C 25 33.542 33.542 33.057 0.485 25700 10986 1 20 . 1 1 25 25 ARG H H 25 7.308 7.308 7.797 -0.489 25700 10987 1 20 . 1 1 26 26 ASP N N 26 118.075 118.075 123.172 -5.097 25700 10988 1 20 . 1 1 26 26 ASP HA H 26 4.665 4.665 4.920 -0.255 25700 10989 1 20 . 1 1 26 26 ASP C C 26 177.721 177.721 176.076 1.645 25700 10990 1 20 . 1 1 26 26 ASP CA C 26 53.911 53.911 53.858 0.053 25700 10991 1 20 . 1 1 26 26 ASP CB C 26 41.143 41.143 41.878 -0.735 25700 10992 1 20 . 1 1 26 26 ASP H H 26 8.301 8.301 8.524 -0.223 25700 10993 1 20 . 1 1 27 27 GLY N N 27 106.966 106.966 109.275 -2.309 25700 10994 1 20 . 1 1 27 27 GLY C C 27 170.472 170.472 172.198 -1.726 25700 10995 1 20 . 1 1 27 27 GLY CA C 27 46.213 46.213 45.051 1.161 25700 10996 1 20 . 1 1 27 27 GLY H H 27 8.276 8.276 8.893 -0.617 25700 10997 1 20 . 1 1 28 28 ALA N N 28 122.805 122.805 123.128 -0.323 25700 10998 1 20 . 1 1 28 28 ALA HA H 28 4.898 4.898 4.991 -0.093 25700 10999 1 20 . 1 1 28 28 ALA C C 28 176.720 176.720 175.391 1.329 25700 11000 1 20 . 1 1 28 28 ALA CA C 28 50.756 50.756 50.726 0.030 25700 11001 1 20 . 1 1 28 28 ALA CB C 28 21.482 21.482 21.897 -0.415 25700 11002 1 20 . 1 1 28 28 ALA H H 28 8.065 8.065 8.134 -0.069 25700 11003 1 20 . 1 1 29 29 GLY N N 29 106.538 106.538 105.094 1.444 25700 11004 1 20 . 1 1 29 29 GLY C C 29 172.866 172.866 170.500 2.366 25700 11005 1 20 . 1 1 29 29 GLY CA C 29 45.538 45.538 44.403 1.135 25700 11006 1 20 . 1 1 29 29 GLY H H 29 7.654 7.654 8.519 -0.865 25700 11007 1 20 . 1 1 30 30 SER N N 30 116.216 116.216 113.829 2.387 25700 11008 1 20 . 1 1 30 30 SER HA H 30 5.564 5.564 4.596 0.968 25700 11009 1 20 . 1 1 30 30 SER C C 30 172.216 172.216 172.583 -0.367 25700 11010 1 20 . 1 1 30 30 SER CA C 30 57.505 57.505 56.357 1.148 25700 11011 1 20 . 1 1 30 30 SER CB C 30 66.321 66.321 65.529 0.792 25700 11012 1 20 . 1 1 30 30 SER H H 30 9.185 9.185 7.596 1.589 25700 11013 1 20 . 1 1 31 31 TYR N N 31 118.467 118.467 117.152 1.315 25700 11014 1 20 . 1 1 31 31 TYR HA H 31 6.035 6.035 5.150 0.885 25700 11015 1 20 . 1 1 31 31 TYR C C 31 174.138 174.138 173.972 0.166 25700 11016 1 20 . 1 1 31 31 TYR CA C 31 55.806 55.806 56.329 -0.523 25700 11017 1 20 . 1 1 31 31 TYR CB C 31 43.091 43.091 41.715 1.376 25700 11018 1 20 . 1 1 31 31 TYR H H 31 9.215 9.215 8.645 0.570 25700 11019 1 20 . 1 1 32 32 LYS N N 32 121.086 121.086 119.970 1.116 25700 11020 1 20 . 1 1 32 32 LYS HA H 32 4.772 4.772 4.769 0.003 25700 11021 1 20 . 1 1 32 32 LYS C C 32 173.750 173.750 174.164 -0.414 25700 11022 1 20 . 1 1 32 32 LYS CA C 32 56.495 56.495 55.175 1.320 25700 11023 1 20 . 1 1 32 32 LYS CB C 32 35.800 35.800 34.358 1.442 25700 11024 1 20 . 1 1 32 32 LYS H H 32 8.904 8.904 9.277 -0.373 25700 11025 1 20 . 1 1 33 33 LEU N N 33 128.296 128.296 127.319 0.977 25700 11026 1 20 . 1 1 33 33 LEU HA H 33 5.329 5.329 5.205 0.124 25700 11027 1 20 . 1 1 33 33 LEU C C 33 173.389 173.389 174.307 -0.918 25700 11028 1 20 . 1 1 33 33 LEU CA C 33 53.547 53.547 52.850 0.697 25700 11029 1 20 . 1 1 33 33 LEU CB C 33 45.460 45.460 45.108 0.352 25700 11030 1 20 . 1 1 33 33 LEU H H 33 9.663 9.663 8.487 1.176 25700 11031 1 20 . 1 1 34 34 ALA N N 34 129.791 129.791 129.285 0.506 25700 11032 1 20 . 1 1 34 34 ALA HA H 34 5.419 5.419 5.060 0.359 25700 11033 1 20 . 1 1 34 34 ALA C C 34 176.313 176.313 175.148 1.165 25700 11034 1 20 . 1 1 34 34 ALA CA C 34 50.605 50.605 50.391 0.214 25700 11035 1 20 . 1 1 34 34 ALA CB C 34 21.237 21.237 22.660 -1.423 25700 11036 1 20 . 1 1 34 34 ALA H H 34 9.044 9.044 9.266 -0.222 25700 11037 1 20 . 1 1 35 35 VAL N N 35 124.532 124.532 121.667 2.865 25700 11038 1 20 . 1 1 35 35 VAL HA H 35 4.844 4.844 4.702 0.142 25700 11039 1 20 . 1 1 35 35 VAL C C 35 173.511 173.511 174.267 -0.756 25700 11040 1 20 . 1 1 35 35 VAL CA C 35 61.113 61.113 60.758 0.355 25700 11041 1 20 . 1 1 35 35 VAL CB C 35 35.152 35.152 35.032 0.120 25700 11042 1 20 . 1 1 35 35 VAL H H 35 9.332 9.332 8.766 0.566 25700 11043 1 20 . 1 1 36 36 ASP N N 36 127.077 127.077 125.447 1.630 25700 11044 1 20 . 1 1 36 36 ASP HA H 36 5.560 5.560 5.125 0.435 25700 11045 1 20 . 1 1 36 36 ASP C C 36 174.146 174.146 174.059 0.087 25700 11046 1 20 . 1 1 36 36 ASP CA C 36 53.219 53.219 53.260 -0.041 25700 11047 1 20 . 1 1 36 36 ASP CB C 36 44.387 44.387 43.840 0.547 25700 11048 1 20 . 1 1 36 36 ASP H H 36 9.169 9.169 9.315 -0.146 25700 11049 1 20 . 1 1 37 37 LYS N N 37 122.568 122.568 127.392 -4.824 25700 11050 1 20 . 1 1 37 37 LYS HA H 37 4.673 4.673 5.607 -0.934 25700 11051 1 20 . 1 1 37 37 LYS C C 37 173.710 173.710 174.362 -0.652 25700 11052 1 20 . 1 1 37 37 LYS CA C 37 54.410 54.410 54.400 0.010 25700 11053 1 20 . 1 1 37 37 LYS CB C 37 34.907 34.907 36.065 -1.158 25700 11054 1 20 . 1 1 37 37 LYS H H 37 8.665 8.665 9.087 -0.422 25700 11055 1 20 . 1 1 38 38 ALA N N 38 130.221 130.221 129.000 1.221 25700 11056 1 20 . 1 1 38 38 ALA HA H 38 4.983 4.983 5.069 -0.086 25700 11057 1 20 . 1 1 38 38 ALA C C 38 176.141 176.141 175.181 0.960 25700 11058 1 20 . 1 1 38 38 ALA CA C 38 51.093 51.093 51.473 -0.380 25700 11059 1 20 . 1 1 38 38 ALA CB C 38 21.778 21.778 21.457 0.321 25700 11060 1 20 . 1 1 38 38 ALA H H 38 8.798 8.798 9.049 -0.251 25700 11061 1 20 . 1 1 39 39 GLY N N 39 109.328 109.328 109.496 -0.168 25700 11062 1 20 . 1 1 39 39 GLY C C 39 174.208 174.208 174.032 0.176 25700 11063 1 20 . 1 1 39 39 GLY CA C 39 44.645 44.645 45.047 -0.402 25700 11064 1 20 . 1 1 39 39 GLY H H 39 7.851 7.851 8.381 -0.530 25700 11065 1 20 . 1 1 40 40 ALA N N 40 125.088 125.088 121.874 3.214 25700 11066 1 20 . 1 1 40 40 ALA HA H 40 4.051 4.051 4.241 -0.190 25700 11067 1 20 . 1 1 40 40 ALA C C 40 178.917 178.917 178.670 0.247 25700 11068 1 20 . 1 1 40 40 ALA CA C 40 54.841 54.841 54.747 0.094 25700 11069 1 20 . 1 1 40 40 ALA CB C 40 18.293 18.293 18.510 -0.217 25700 11070 1 20 . 1 1 40 40 ALA H H 40 8.766 8.766 8.454 0.312 25700 11071 1 20 . 1 1 41 41 ALA N N 41 117.569 117.569 118.575 -1.006 25700 11072 1 20 . 1 1 41 41 ALA HA H 41 4.419 4.419 4.281 0.138 25700 11073 1 20 . 1 1 41 41 ALA C C 41 177.136 177.136 177.798 -0.662 25700 11074 1 20 . 1 1 41 41 ALA CA C 41 51.929 51.929 52.068 -0.139 25700 11075 1 20 . 1 1 41 41 ALA CB C 41 18.774 18.774 18.995 -0.221 25700 11076 1 20 . 1 1 41 41 ALA H H 41 8.300 8.300 7.957 0.343 25700 11077 1 20 . 1 1 42 42 GLY N N 42 106.796 106.796 106.039 0.757 25700 11078 1 20 . 1 1 42 42 GLY C C 42 173.379 173.379 172.310 1.069 25700 11079 1 20 . 1 1 42 42 GLY CA C 42 44.336 44.336 44.212 0.124 25700 11080 1 20 . 1 1 42 42 GLY H H 42 7.577 7.577 7.643 -0.066 25700 11081 1 20 . 1 1 43 43 THR N N 43 116.541 116.541 112.249 4.292 25700 11082 1 20 . 1 1 43 43 THR HA H 43 5.263 5.263 5.221 0.042 25700 11083 1 20 . 1 1 43 43 THR C C 43 174.244 174.244 173.737 0.507 25700 11084 1 20 . 1 1 43 43 THR CA C 43 61.137 61.137 60.615 0.522 25700 11085 1 20 . 1 1 43 43 THR CB C 43 70.759 70.759 70.573 0.186 25700 11086 1 20 . 1 1 43 43 THR H H 43 8.526 8.526 8.273 0.253 25700 11087 1 20 . 1 1 44 44 SER N N 44 120.903 120.903 121.337 -0.434 25700 11088 1 20 . 1 1 44 44 SER HA H 44 4.759 4.759 4.798 -0.039 25700 11089 1 20 . 1 1 44 44 SER C C 44 172.241 172.241 172.599 -0.358 25700 11090 1 20 . 1 1 44 44 SER CA C 44 57.340 57.340 57.613 -0.273 25700 11091 1 20 . 1 1 44 44 SER CB C 44 65.568 65.568 66.730 -1.162 25700 11092 1 20 . 1 1 44 44 SER H H 44 8.904 8.904 9.167 -0.263 25700 11093 1 20 . 1 1 45 45 ARG N N 45 124.546 124.546 124.907 -0.361 25700 11094 1 20 . 1 1 45 45 ARG HA H 45 5.489 5.489 4.934 0.555 25700 11095 1 20 . 1 1 45 45 ARG C C 45 175.520 175.520 175.936 -0.416 25700 11096 1 20 . 1 1 45 45 ARG CA C 45 55.101 55.101 55.584 -0.483 25700 11097 1 20 . 1 1 45 45 ARG CB C 45 32.760 32.760 31.585 1.175 25700 11098 1 20 . 1 1 45 45 ARG H H 45 8.579 8.579 8.585 -0.006 25700 11099 1 20 . 1 1 46 46 ILE N N 46 127.920 127.920 127.125 0.795 25700 11100 1 20 . 1 1 46 46 ILE HA H 46 4.460 4.460 4.428 0.032 25700 11101 1 20 . 1 1 46 46 ILE C C 46 174.450 174.450 174.472 -0.022 25700 11102 1 20 . 1 1 46 46 ILE CA C 46 60.220 60.220 60.291 -0.071 25700 11103 1 20 . 1 1 46 46 ILE CB C 46 41.290 41.290 41.479 -0.189 25700 11104 1 20 . 1 1 46 46 ILE H H 46 9.344 9.344 9.202 0.142 25700 11105 1 20 . 1 1 47 47 LYS N N 47 126.061 126.061 126.417 -0.356 25700 11106 1 20 . 1 1 47 47 LYS HA H 47 5.514 5.514 4.774 0.740 25700 11107 1 20 . 1 1 47 47 LYS C C 47 175.790 175.790 175.091 0.699 25700 11108 1 20 . 1 1 47 47 LYS CA C 47 54.870 54.870 55.845 -0.975 25700 11109 1 20 . 1 1 47 47 LYS CB C 47 35.386 35.386 34.840 0.546 25700 11110 1 20 . 1 1 47 47 LYS H H 47 8.734 8.734 8.535 0.199 25700 11111 1 20 . 1 1 48 48 GLN N N 48 122.633 122.633 126.004 -3.371 25700 11112 1 20 . 1 1 48 48 GLN HA H 48 4.669 4.669 4.635 0.034 25700 11113 1 20 . 1 1 48 48 GLN C C 48 173.659 173.659 173.802 -0.143 25700 11114 1 20 . 1 1 48 48 GLN CA C 48 54.895 54.895 55.340 -0.445 25700 11115 1 20 . 1 1 48 48 GLN CB C 48 33.072 33.072 32.678 0.394 25700 11116 1 20 . 1 1 48 48 GLN H H 48 9.228 9.228 9.176 0.052 25700 11117 1 20 . 1 1 49 49 ALA N N 49 125.634 125.634 125.564 0.070 25700 11118 1 20 . 1 1 49 49 ALA HA H 49 4.544 4.544 5.146 -0.602 25700 11119 1 20 . 1 1 49 49 ALA C C 49 175.881 175.881 176.027 -0.146 25700 11120 1 20 . 1 1 49 49 ALA CA C 49 50.993 50.993 51.051 -0.058 25700 11121 1 20 . 1 1 49 49 ALA CB C 49 22.620 22.620 21.939 0.681 25700 11122 1 20 . 1 1 49 49 ALA H H 49 8.557 8.557 8.379 0.178 25700 11123 1 20 . 1 1 50 50 GLY N N 50 105.483 105.483 107.142 -1.659 25700 11124 1 20 . 1 1 50 50 GLY C C 50 170.217 170.217 171.575 -1.358 25700 11125 1 20 . 1 1 50 50 GLY CA C 50 45.670 45.670 46.072 -0.402 25700 11126 1 20 . 1 1 50 50 GLY H H 50 6.865 6.865 8.374 -1.509 25700 11127 1 20 . 1 1 51 51 ALA N N 51 122.908 122.908 122.239 0.669 25700 11128 1 20 . 1 1 51 51 ALA HA H 51 5.265 5.265 4.848 0.417 25700 11129 1 20 . 1 1 51 51 ALA C C 51 176.793 176.793 175.194 1.599 25700 11130 1 20 . 1 1 51 51 ALA CA C 51 50.736 50.736 50.966 -0.230 25700 11131 1 20 . 1 1 51 51 ALA CB C 51 21.840 21.840 21.491 0.349 25700 11132 1 20 . 1 1 51 51 ALA H H 51 8.522 8.522 8.087 0.435 25700 11133 1 20 . 1 1 52 52 PHE N N 52 115.156 115.156 121.973 -6.817 25700 11134 1 20 . 1 1 52 52 PHE HA H 52 5.106 5.106 4.970 0.136 25700 11135 1 20 . 1 1 52 52 PHE C C 52 172.832 172.832 173.602 -0.770 25700 11136 1 20 . 1 1 52 52 PHE CA C 52 56.890 56.890 56.381 0.509 25700 11137 1 20 . 1 1 52 52 PHE CB C 52 42.428 42.428 43.484 -1.056 25700 11138 1 20 . 1 1 52 52 PHE H H 52 8.191 8.191 8.986 -0.795 25700 11139 1 20 . 1 1 53 53 THR N N 53 116.180 116.180 115.827 0.353 25700 11140 1 20 . 1 1 53 53 THR HA H 53 4.631 4.631 4.447 0.184 25700 11141 1 20 . 1 1 53 53 THR C C 53 172.769 172.769 173.089 -0.320 25700 11142 1 20 . 1 1 53 53 THR CA C 53 61.610 61.610 60.839 0.771 25700 11143 1 20 . 1 1 53 53 THR CB C 53 70.736 70.736 68.329 2.407 25700 11144 1 20 . 1 1 53 53 THR H H 53 8.650 8.650 6.852 1.798 25700 11145 1 20 . 1 1 54 54 ALA N N 54 127.969 127.969 129.382 -1.413 25700 11146 1 20 . 1 1 54 54 ALA HA H 54 4.748 4.748 4.680 0.068 25700 11147 1 20 . 1 1 54 54 ALA C C 54 176.369 176.369 175.262 1.107 25700 11148 1 20 . 1 1 54 54 ALA CA C 54 51.397 51.397 50.205 1.192 25700 11149 1 20 . 1 1 54 54 ALA CB C 54 22.010 22.010 21.870 0.140 25700 11150 1 20 . 1 1 54 54 ALA H H 54 9.353 9.353 7.973 1.380 25700 11151 1 20 . 1 1 55 55 ILE N N 55 123.326 123.326 120.277 3.049 25700 11152 1 20 . 1 1 55 55 ILE HA H 55 4.391 4.391 4.286 0.105 25700 11153 1 20 . 1 1 55 55 ILE C C 55 176.079 176.079 175.502 0.577 25700 11154 1 20 . 1 1 55 55 ILE CA C 55 59.138 59.138 59.601 -0.463 25700 11155 1 20 . 1 1 55 55 ILE CB C 55 39.451 39.451 41.062 -1.611 25700 11156 1 20 . 1 1 55 55 ILE H H 55 7.856 7.856 8.538 -0.682 25700 11157 1 20 . 1 1 56 56 ALA N N 56 130.280 130.280 128.298 1.982 25700 11158 1 20 . 1 1 56 56 ALA HA H 56 3.493 3.493 4.388 -0.895 25700 11159 1 20 . 1 1 56 56 ALA C C 56 177.405 177.405 177.749 -0.344 25700 11160 1 20 . 1 1 56 56 ALA CA C 56 54.156 54.156 52.382 1.774 25700 11161 1 20 . 1 1 56 56 ALA CB C 56 18.871 18.871 18.774 0.097 25700 11162 1 20 . 1 1 56 56 ALA H H 56 9.104 9.104 8.464 0.640 25700 11163 1 20 . 1 1 57 57 GLU N N 57 113.081 113.081 118.742 -5.661 25700 11164 1 20 . 1 1 57 57 GLU HA H 57 3.614 3.614 3.767 -0.153 25700 11165 1 20 . 1 1 57 57 GLU C C 57 174.959 174.959 175.088 -0.129 25700 11166 1 20 . 1 1 57 57 GLU CA C 57 58.080 58.080 57.549 0.531 25700 11167 1 20 . 1 1 57 57 GLU CB C 57 27.141 27.141 28.328 -1.187 25700 11168 1 20 . 1 1 57 57 GLU H H 57 9.007 9.007 8.883 0.124 25700 11169 1 20 . 1 1 58 58 GLN N N 58 119.796 119.796 117.528 2.268 25700 11170 1 20 . 1 1 58 58 GLN HA H 58 4.519 4.519 4.631 -0.112 25700 11171 1 20 . 1 1 58 58 GLN C C 58 175.217 175.217 174.801 0.416 25700 11172 1 20 . 1 1 58 58 GLN CA C 58 54.379 54.379 53.678 0.701 25700 11173 1 20 . 1 1 58 58 GLN CB C 58 30.102 30.102 31.311 -1.209 25700 11174 1 20 . 1 1 58 58 GLN H H 58 8.061 8.061 7.687 0.374 25700 11175 1 20 . 1 1 59 59 ARG N N 59 124.810 124.810 123.404 1.406 25700 11176 1 20 . 1 1 59 59 ARG HA H 59 4.286 4.286 4.399 -0.113 25700 11177 1 20 . 1 1 59 59 ARG C C 59 176.396 176.396 176.024 0.372 25700 11178 1 20 . 1 1 59 59 ARG CA C 59 56.810 56.810 55.998 0.812 25700 11179 1 20 . 1 1 59 59 ARG CB C 59 30.906 30.906 30.575 0.331 25700 11180 1 20 . 1 1 59 59 ARG H H 59 8.486 8.486 8.584 -0.098 25700 11181 1 20 . 1 1 60 60 VAL N N 60 127.238 127.238 127.517 -0.279 25700 11182 1 20 . 1 1 60 60 VAL HA H 60 4.319 4.319 4.346 -0.027 25700 11183 1 20 . 1 1 60 60 VAL C C 60 174.543 174.543 174.968 -0.425 25700 11184 1 20 . 1 1 60 60 VAL CA C 60 61.227 61.227 61.020 0.207 25700 11185 1 20 . 1 1 60 60 VAL CB C 60 34.177 34.177 33.593 0.584 25700 11186 1 20 . 1 1 60 60 VAL H H 60 9.033 9.033 9.204 -0.171 25700 11187 1 20 . 1 1 61 61 THR N N 61 120.913 120.913 124.536 -3.623 25700 11188 1 20 . 1 1 61 61 THR HA H 61 5.096 5.096 4.757 0.339 25700 11189 1 20 . 1 1 61 61 THR C C 61 174.645 174.645 173.767 0.878 25700 11190 1 20 . 1 1 61 61 THR CA C 61 60.686 60.686 61.811 -1.125 25700 11191 1 20 . 1 1 61 61 THR CB C 61 69.710 69.710 69.323 0.387 25700 11192 1 20 . 1 1 61 61 THR H H 61 8.340 8.340 8.602 -0.262 25700 11193 1 20 . 1 1 62 62 VAL N N 62 117.650 117.650 125.917 -8.267 25700 11194 1 20 . 1 1 62 62 VAL HA H 62 4.294 4.294 4.108 0.186 25700 11195 1 20 . 1 1 62 62 VAL C C 62 174.530 174.530 174.956 -0.426 25700 11196 1 20 . 1 1 62 62 VAL CA C 62 58.641 58.641 60.941 -2.300 25700 11197 1 20 . 1 1 62 62 VAL CB C 62 34.263 34.263 34.785 -0.522 25700 11198 1 20 . 1 1 62 62 VAL H H 62 8.658 8.658 9.043 -0.385 25700 11199 1 20 . 1 1 63 63 GLY N N 63 107.924 107.924 114.021 -6.097 25700 11200 1 20 . 1 1 63 63 GLY C C 63 172.475 172.475 173.187 -0.712 25700 11201 1 20 . 1 1 63 63 GLY CA C 63 43.668 43.668 44.614 -0.946 25700 11202 1 20 . 1 1 63 63 GLY H H 63 7.857 7.857 8.441 -0.584 25700 11203 1 20 . 1 1 64 64 ASN N N 64 116.073 116.073 120.113 -4.040 25700 11204 1 20 . 1 1 64 64 ASN HA H 64 4.530 4.530 4.714 -0.184 25700 11205 1 20 . 1 1 64 64 ASN C C 64 173.307 173.307 174.313 -1.006 25700 11206 1 20 . 1 1 64 64 ASN CA C 64 55.380 55.380 53.518 1.862 25700 11207 1 20 . 1 1 64 64 ASN CB C 64 39.159 39.159 38.559 0.600 25700 11208 1 20 . 1 1 64 64 ASN H H 64 8.933 8.933 8.144 0.789 25700 11209 1 20 . 1 1 65 65 VAL N N 65 126.612 126.612 126.668 -0.056 25700 11210 1 20 . 1 1 65 65 VAL HA H 65 4.238 4.238 4.314 -0.076 25700 11211 1 20 . 1 1 65 65 VAL C C 65 173.538 173.538 174.025 -0.487 25700 11212 1 20 . 1 1 65 65 VAL CA C 65 61.970 61.970 61.376 0.594 25700 11213 1 20 . 1 1 65 65 VAL CB C 65 33.829 33.829 35.212 -1.383 25700 11214 1 20 . 1 1 65 65 VAL H H 65 8.548 8.548 8.872 -0.324 25700 11215 1 20 . 1 1 66 66 VAL N N 66 127.886 127.886 127.820 0.066 25700 11216 1 20 . 1 1 66 66 VAL HA H 66 4.990 4.990 4.345 0.645 25700 11217 1 20 . 1 1 66 66 VAL C C 66 175.271 175.271 175.638 -0.367 25700 11218 1 20 . 1 1 66 66 VAL CA C 66 61.360 61.360 61.818 -0.458 25700 11219 1 20 . 1 1 66 66 VAL CB C 66 32.923 32.923 32.192 0.731 25700 11220 1 20 . 1 1 66 66 VAL H H 66 8.364 8.364 8.435 -0.071 25700 11221 1 20 . 1 1 67 67 LEU N N 67 126.454 126.454 127.896 -1.442 25700 11222 1 20 . 1 1 67 67 LEU HA H 67 4.955 4.955 4.689 0.266 25700 11223 1 20 . 1 1 67 67 LEU C C 67 176.547 176.547 176.551 -0.004 25700 11224 1 20 . 1 1 67 67 LEU CA C 67 52.492 52.492 52.174 0.318 25700 11225 1 20 . 1 1 67 67 LEU CB C 67 46.685 46.685 43.263 3.422 25700 11226 1 20 . 1 1 67 67 LEU H H 67 9.050 9.050 9.033 0.017 25700 11227 1 20 . 1 1 68 68 ASP N N 68 119.799 119.799 120.668 -0.869 25700 11228 1 20 . 1 1 68 68 ASP HA H 68 4.609 4.609 4.753 -0.144 25700 11229 1 20 . 1 1 68 68 ASP C C 68 176.247 176.247 176.076 0.171 25700 11230 1 20 . 1 1 68 68 ASP CA C 68 55.492 55.492 55.358 0.135 25700 11231 1 20 . 1 1 68 68 ASP CB C 68 40.566 40.566 41.780 -1.214 25700 11232 1 20 . 1 1 68 68 ASP H H 68 8.722 8.722 8.737 -0.015 25700 11233 1 20 . 1 1 69 69 TYR N N 69 123.398 123.398 128.119 -4.721 25700 11234 1 20 . 1 1 69 69 TYR HA H 69 4.651 4.651 4.522 0.129 25700 11235 1 20 . 1 1 69 69 TYR C C 69 174.253 174.253 173.928 0.325 25700 11236 1 20 . 1 1 69 69 TYR CA C 69 57.767 57.767 58.578 -0.811 25700 11237 1 20 . 1 1 69 69 TYR CB C 69 40.067 40.067 38.743 1.323 25700 11238 1 20 . 1 1 69 69 TYR H H 69 8.603 8.603 7.797 0.806 25700 11239 1 20 . 1 1 70 70 SER N N 70 121.308 121.308 122.442 -1.134 25700 11240 1 20 . 1 1 70 70 SER HA H 70 4.059 4.059 4.165 -0.106 25700 11241 1 20 . 1 1 70 70 SER C C 70 174.851 174.851 174.115 0.736 25700 11242 1 20 . 1 1 70 70 SER CA C 70 56.341 56.341 56.337 0.004 25700 11243 1 20 . 1 1 70 70 SER CB C 70 64.634 64.634 65.295 -0.661 25700 11244 1 20 . 1 1 70 70 SER H H 70 6.749 6.749 8.171 -1.422 25700 11245 1 20 . 1 1 71 71 SER N N 71 122.764 122.764 118.873 3.891 25700 11246 1 20 . 1 1 71 71 SER HA H 71 4.221 4.221 4.205 0.016 25700 11247 1 20 . 1 1 71 71 SER C C 71 174.098 174.098 175.704 -1.606 25700 11248 1 20 . 1 1 71 71 SER CA C 71 60.326 60.326 60.380 -0.054 25700 11249 1 20 . 1 1 71 71 SER CB C 71 62.814 62.814 63.065 -0.251 25700 11250 1 20 . 1 1 71 71 SER H H 71 8.907 8.907 8.357 0.550 25700 11251 1 20 . 1 1 72 72 ALA N N 72 122.199 122.199 120.865 1.334 25700 11252 1 20 . 1 1 72 72 ALA HA H 72 4.320 4.320 4.408 -0.088 25700 11253 1 20 . 1 1 72 72 ALA C C 72 177.749 177.749 177.063 0.686 25700 11254 1 20 . 1 1 72 72 ALA CA C 72 52.283 52.283 51.280 1.003 25700 11255 1 20 . 1 1 72 72 ALA CB C 72 18.950 18.950 18.347 0.603 25700 11256 1 20 . 1 1 72 72 ALA H H 72 7.869 7.869 7.997 -0.128 25700 11257 1 20 . 1 1 73 73 ASN N N 73 116.297 116.297 117.632 -1.335 25700 11258 1 20 . 1 1 73 73 ASN HA H 73 5.076 5.076 4.481 0.595 25700 11259 1 20 . 1 1 73 73 ASN C C 73 173.794 173.794 174.679 -0.885 25700 11260 1 20 . 1 1 73 73 ASN CA C 73 51.612 51.612 52.623 -1.011 25700 11261 1 20 . 1 1 73 73 ASN CB C 73 40.647 40.647 39.410 1.237 25700 11262 1 20 . 1 1 73 73 ASN H H 73 7.265 7.265 7.502 -0.237 25700 11263 1 20 . 1 1 74 74 ARG N N 74 118.937 118.937 123.100 -4.163 25700 11264 1 20 . 1 1 74 74 ARG HA H 74 4.684 4.684 4.444 0.240 25700 11265 1 20 . 1 1 74 74 ARG C C 74 174.943 174.943 174.193 0.750 25700 11266 1 20 . 1 1 74 74 ARG CA C 74 54.523 54.523 54.186 0.337 25700 11267 1 20 . 1 1 74 74 ARG CB C 74 32.331 32.331 29.520 2.811 25700 11268 1 20 . 1 1 74 74 ARG H H 74 8.529 8.529 8.012 0.517 25700 11269 1 20 . 1 1 75 75 TYR N N 75 122.282 122.282 124.440 -2.158 25700 11270 1 20 . 1 1 75 75 TYR HA H 75 5.159 5.159 5.281 -0.122 25700 11271 1 20 . 1 1 75 75 TYR C C 75 173.593 173.593 174.241 -0.648 25700 11272 1 20 . 1 1 75 75 TYR CA C 75 57.080 57.080 56.575 0.506 25700 11273 1 20 . 1 1 75 75 TYR CB C 75 41.202 41.202 40.595 0.607 25700 11274 1 20 . 1 1 75 75 TYR H H 75 8.691 8.691 8.346 0.345 25700 11275 1 20 . 1 1 76 76 ALA N N 76 122.606 122.606 125.009 -2.403 25700 11276 1 20 . 1 1 76 76 ALA HA H 76 4.788 4.788 4.885 -0.097 25700 11277 1 20 . 1 1 76 76 ALA C C 76 175.765 175.765 174.747 1.018 25700 11278 1 20 . 1 1 76 76 ALA CA C 76 50.543 50.543 49.908 0.635 25700 11279 1 20 . 1 1 76 76 ALA CB C 76 23.070 23.070 22.957 0.113 25700 11280 1 20 . 1 1 76 76 ALA H H 76 8.688 8.688 9.242 -0.554 25700 11281 1 20 . 1 1 77 77 ALA N N 77 119.325 119.325 120.708 -1.383 25700 11282 1 20 . 1 1 77 77 ALA HA H 77 5.488 5.488 5.498 -0.010 25700 11283 1 20 . 1 1 77 77 ALA C C 77 174.473 174.473 175.483 -1.010 25700 11284 1 20 . 1 1 77 77 ALA CA C 77 51.813 51.813 50.981 0.832 25700 11285 1 20 . 1 1 77 77 ALA CB C 77 24.137 24.137 22.999 1.138 25700 11286 1 20 . 1 1 77 77 ALA H H 77 8.584 8.584 8.260 0.324 25700 11287 1 20 . 1 1 78 78 ARG N N 78 122.822 122.822 119.000 3.822 25700 11288 1 20 . 1 1 78 78 ARG HA H 78 4.938 4.938 5.538 -0.600 25700 11289 1 20 . 1 1 78 78 ARG C C 78 173.170 173.170 173.872 -0.702 25700 11290 1 20 . 1 1 78 78 ARG CA C 78 54.890 54.890 55.327 -0.437 25700 11291 1 20 . 1 1 78 78 ARG CB C 78 34.467 34.467 32.900 1.567 25700 11292 1 20 . 1 1 78 78 ARG H H 78 8.807 8.807 9.208 -0.401 25700 11293 1 20 . 1 1 79 79 LEU N N 79 130.548 130.548 126.456 4.092 25700 11294 1 20 . 1 1 79 79 LEU HA H 79 5.440 5.440 5.439 0.001 25700 11295 1 20 . 1 1 79 79 LEU C C 79 173.434 173.434 174.517 -1.083 25700 11296 1 20 . 1 1 79 79 LEU CA C 79 53.186 53.186 53.489 -0.303 25700 11297 1 20 . 1 1 79 79 LEU CB C 79 45.369 45.369 46.403 -1.034 25700 11298 1 20 . 1 1 79 79 LEU H H 79 9.055 9.055 8.901 0.154 25700 11299 1 20 . 1 1 80 80 ASP N N 80 125.928 125.928 127.462 -1.534 25700 11300 1 20 . 1 1 80 80 ASP HA H 80 5.480 5.480 5.484 -0.004 25700 11301 1 20 . 1 1 80 80 ASP C C 80 175.805 175.805 175.623 0.182 25700 11302 1 20 . 1 1 80 80 ASP CA C 80 53.794 53.794 53.806 -0.012 25700 11303 1 20 . 1 1 80 80 ASP CB C 80 44.119 44.119 43.105 1.014 25700 11304 1 20 . 1 1 80 80 ASP H H 80 9.251 9.251 9.157 0.094 25700 11305 1 20 . 1 1 81 81 VAL N N 81 123.295 123.295 126.278 -2.983 25700 11306 1 20 . 1 1 81 81 VAL HA H 81 4.843 4.843 4.476 0.367 25700 11307 1 20 . 1 1 81 81 VAL C C 81 174.136 174.136 174.713 -0.577 25700 11308 1 20 . 1 1 81 81 VAL CA C 81 61.438 61.438 61.986 -0.548 25700 11309 1 20 . 1 1 81 81 VAL CB C 81 35.299 35.299 32.536 2.763 25700 11310 1 20 . 1 1 81 81 VAL H H 81 8.947 8.947 8.647 0.300 25700 11311 1 20 . 1 1 82 82 SER N N 82 122.698 122.698 123.234 -0.536 25700 11312 1 20 . 1 1 82 82 SER HA H 82 5.380 5.380 5.406 -0.026 25700 11313 1 20 . 1 1 82 82 SER C C 82 173.016 173.016 173.480 -0.464 25700 11314 1 20 . 1 1 82 82 SER CA C 82 57.195 57.195 56.571 0.624 25700 11315 1 20 . 1 1 82 82 SER CB C 82 64.477 64.477 64.522 -0.045 25700 11316 1 20 . 1 1 82 82 SER H H 82 9.026 9.026 8.768 0.258 25700 11317 1 20 . 1 1 83 83 PHE N N 83 127.305 127.305 127.309 -0.004 25700 11318 1 20 . 1 1 83 83 PHE HA H 83 4.781 4.781 4.821 -0.040 25700 11319 1 20 . 1 1 83 83 PHE C C 83 174.741 174.741 175.378 -0.637 25700 11320 1 20 . 1 1 83 83 PHE CA C 83 57.376 57.376 58.016 -0.640 25700 11321 1 20 . 1 1 83 83 PHE CB C 83 42.094 42.094 40.783 1.310 25700 11322 1 20 . 1 1 83 83 PHE H H 83 9.012 9.012 8.795 0.217 25700 11323 1 20 . 1 1 84 84 GLY N N 84 117.337 117.337 116.212 1.125 25700 11324 1 20 . 1 1 84 84 GLY C C 84 175.295 175.295 175.139 0.156 25700 11325 1 20 . 1 1 84 84 GLY CA C 84 47.086 47.086 46.155 0.931 25700 11326 1 20 . 1 1 84 84 GLY H H 84 8.784 8.784 8.395 0.389 25700 11327 1 20 . 1 1 85 85 SER N N 85 120.553 120.553 120.018 0.535 25700 11328 1 20 . 1 1 85 85 SER HA H 85 4.383 4.383 4.421 -0.038 25700 11329 1 20 . 1 1 85 85 SER C C 85 173.796 173.796 174.682 -0.886 25700 11330 1 20 . 1 1 85 85 SER CA C 85 59.095 59.095 58.501 0.594 25700 11331 1 20 . 1 1 85 85 SER CB C 85 63.360 63.360 64.044 -0.684 25700 11332 1 20 . 1 1 85 85 SER H H 85 8.687 8.687 8.592 0.095 25700 11333 1 20 . 1 1 86 86 VAL N N 86 121.297 121.297 123.185 -1.888 25700 11334 1 20 . 1 1 86 86 VAL HA H 86 4.504 4.504 4.224 0.280 25700 11335 1 20 . 1 1 86 86 VAL C C 86 174.888 174.888 174.094 0.794 25700 11336 1 20 . 1 1 86 86 VAL CA C 86 61.610 61.610 62.072 -0.462 25700 11337 1 20 . 1 1 86 86 VAL CB C 86 34.210 34.210 33.464 0.746 25700 11338 1 20 . 1 1 86 86 VAL H H 86 7.963 7.963 7.308 0.655 25700 11339 1 20 . 1 1 87 87 THR N N 87 119.631 119.631 124.654 -5.023 25700 11340 1 20 . 1 1 87 87 THR HA H 87 5.551 5.551 5.359 0.192 25700 11341 1 20 . 1 1 87 87 THR C C 87 174.271 174.271 173.425 0.846 25700 11342 1 20 . 1 1 87 87 THR CA C 87 60.550 60.550 62.004 -1.454 25700 11343 1 20 . 1 1 87 87 THR CB C 87 71.350 71.350 69.637 1.713 25700 11344 1 20 . 1 1 87 87 THR H H 87 8.302 8.302 8.419 -0.117 25700 11345 1 20 . 1 1 88 88 ILE N N 88 118.811 118.811 121.271 -2.460 25700 11346 1 20 . 1 1 88 88 ILE HA H 88 4.858 4.858 4.762 0.096 25700 11347 1 20 . 1 1 88 88 ILE C C 88 174.300 174.300 173.223 1.077 25700 11348 1 20 . 1 1 88 88 ILE CA C 88 59.380 59.380 59.367 0.013 25700 11349 1 20 . 1 1 88 88 ILE CB C 88 43.170 43.170 41.704 1.466 25700 11350 1 20 . 1 1 88 88 ILE H H 88 8.986 8.986 8.743 0.243 25700 11351 1 20 . 1 1 89 89 GLN N N 89 120.806 120.806 118.836 1.970 25700 11352 1 20 . 1 1 89 89 GLN HA H 89 5.814 5.814 5.726 0.088 25700 11353 1 20 . 1 1 89 89 GLN C C 89 175.021 175.021 174.401 0.620 25700 11354 1 20 . 1 1 89 89 GLN CA C 89 54.171 54.171 54.397 -0.226 25700 11355 1 20 . 1 1 89 89 GLN CB C 89 34.262 34.262 32.787 1.475 25700 11356 1 20 . 1 1 89 89 GLN H H 89 8.481 8.481 8.045 0.436 25700 11357 1 20 . 1 1 90 90 CYS N N 90 118.531 118.531 117.217 1.314 25700 11358 1 20 . 1 1 90 90 CYS HA H 90 5.010 5.010 4.830 0.180 25700 11359 1 20 . 1 1 90 90 CYS C C 90 172.402 172.402 172.915 -0.513 25700 11360 1 20 . 1 1 90 90 CYS CA C 90 54.874 54.874 57.077 -2.203 25700 11361 1 20 . 1 1 90 90 CYS CB C 90 50.267 50.267 31.132 19.135 25700 11362 1 20 . 1 1 90 90 CYS H H 90 9.151 9.151 8.818 0.333 25700 11363 1 20 . 1 1 91 91 ASN N N 91 116.449 116.449 118.704 -2.255 25700 11364 1 20 . 1 1 91 91 ASN HA H 91 5.615 5.615 5.433 0.182 25700 11365 1 20 . 1 1 91 91 ASN C C 91 174.994 174.994 173.781 1.213 25700 11366 1 20 . 1 1 91 91 ASN CA C 91 52.484 52.484 52.225 0.259 25700 11367 1 20 . 1 1 91 91 ASN CB C 91 43.331 43.331 41.556 1.775 25700 11368 1 20 . 1 1 91 91 ASN H H 91 8.791 8.791 8.183 0.608 25700 11369 1 20 . 1 1 92 92 LEU N N 92 123.391 123.391 122.319 1.072 25700 11370 1 20 . 1 1 92 92 LEU HA H 92 4.286 4.286 4.380 -0.094 25700 11371 1 20 . 1 1 92 92 LEU C C 92 176.188 176.188 176.374 -0.186 25700 11372 1 20 . 1 1 92 92 LEU CA C 92 54.863 54.863 55.087 -0.225 25700 11373 1 20 . 1 1 92 92 LEU CB C 92 45.064 45.064 43.211 1.853 25700 11374 1 20 . 1 1 92 92 LEU H H 92 8.597 8.597 8.730 -0.133 25700 11375 1 20 . 1 1 93 93 ASP N N 93 129.020 129.020 127.168 1.852 25700 11376 1 20 . 1 1 93 93 ASP HA H 93 5.160 5.160 4.934 0.226 25700 11377 1 20 . 1 1 93 93 ASP C C 93 175.761 175.761 176.015 -0.254 25700 11378 1 20 . 1 1 93 93 ASP CA C 93 50.948 50.948 51.194 -0.246 25700 11379 1 20 . 1 1 93 93 ASP CB C 93 41.136 41.136 42.139 -1.003 25700 11380 1 20 . 1 1 93 93 ASP H H 93 9.146 9.146 8.712 0.434 25700 11381 1 20 . 1 1 94 94 PRO HA H 94 4.304 4.304 4.772 -0.468 25700 11382 1 20 . 1 1 94 94 PRO C C 94 178.637 178.637 177.939 0.698 25700 11383 1 20 . 1 1 94 94 PRO CA C 94 64.830 64.830 64.574 0.256 25700 11384 1 20 . 1 1 94 94 PRO CB C 94 32.579 32.579 32.129 0.450 25700 11385 1 20 . 1 1 95 95 GLU N N 95 116.747 116.747 116.814 -0.067 25700 11386 1 20 . 1 1 95 95 GLU HA H 95 4.223 4.223 4.391 -0.168 25700 11387 1 20 . 1 1 95 95 GLU C C 95 177.994 177.994 177.686 0.308 25700 11388 1 20 . 1 1 95 95 GLU CA C 95 57.773 57.773 57.154 0.619 25700 11389 1 20 . 1 1 95 95 GLU CB C 95 29.084 29.084 29.572 -0.488 25700 11390 1 20 . 1 1 95 95 GLU H H 95 8.358 8.358 8.193 0.165 25700 11391 1 20 . 1 1 96 96 THR N N 96 109.182 109.182 109.202 -0.020 25700 11392 1 20 . 1 1 96 96 THR HA H 96 4.169 4.169 4.478 -0.309 25700 11393 1 20 . 1 1 96 96 THR C C 96 175.238 175.238 175.540 -0.302 25700 11394 1 20 . 1 1 96 96 THR CA C 96 63.038 63.038 62.483 0.555 25700 11395 1 20 . 1 1 96 96 THR CB C 96 69.640 69.640 69.761 -0.121 25700 11396 1 20 . 1 1 96 96 THR H H 96 7.951 7.951 8.130 -0.179 25700 11397 1 20 . 1 1 97 97 VAL N N 97 121.118 121.118 119.828 1.290 25700 11398 1 20 . 1 1 97 97 VAL HA H 97 3.770 3.770 3.884 -0.114 25700 11399 1 20 . 1 1 97 97 VAL C C 97 174.851 174.851 176.319 -1.468 25700 11400 1 20 . 1 1 97 97 VAL CA C 97 63.272 63.272 64.524 -1.252 25700 11401 1 20 . 1 1 97 97 VAL CB C 97 30.627 30.627 31.279 -0.652 25700 11402 1 20 . 1 1 97 97 VAL H H 97 7.175 7.175 7.503 -0.328 25700 11403 1 20 . 1 1 98 98 LYS N N 98 123.245 123.245 121.334 1.911 25700 11404 1 20 . 1 1 98 98 LYS HA H 98 4.385 4.385 4.237 0.148 25700 11405 1 20 . 1 1 98 98 LYS C C 98 175.612 175.612 175.903 -0.291 25700 11406 1 20 . 1 1 98 98 LYS CA C 98 55.812 55.812 56.506 -0.694 25700 11407 1 20 . 1 1 98 98 LYS CB C 98 33.804 33.804 30.508 3.296 25700 11408 1 20 . 1 1 98 98 LYS H H 98 7.712 7.712 7.895 -0.183 25700 11409 1 20 . 1 1 99 99 LEU N N 99 122.457 122.457 118.752 3.705 25700 11410 1 20 . 1 1 99 99 LEU HA H 99 4.123 4.123 3.889 0.234 25700 11411 1 20 . 1 1 99 99 LEU C C 99 177.160 177.160 176.013 1.147 25700 11412 1 20 . 1 1 99 99 LEU CA C 99 55.309 55.309 55.478 -0.169 25700 11413 1 20 . 1 1 99 99 LEU CB C 99 42.319 42.319 38.953 3.366 25700 11414 1 20 . 1 1 99 99 LEU H H 99 8.110 8.110 8.658 -0.548 25700 11415 1 20 . 1 1 100 100 GLU N N 100 120.800 120.800 119.132 1.668 25700 11416 1 20 . 1 1 100 100 GLU HA H 100 4.151 4.151 4.174 -0.023 25700 11417 1 20 . 1 1 100 100 GLU C C 100 176.070 176.070 176.231 -0.161 25700 11418 1 20 . 1 1 100 100 GLU CA C 100 56.740 56.740 55.290 1.450 25700 11419 1 20 . 1 1 100 100 GLU CB C 100 30.060 30.060 31.224 -1.164 25700 11420 1 20 . 1 1 100 100 GLU H H 100 8.340 8.340 7.681 0.659 25700 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 98 4.103 1.060 3.984 25700 2 1 1 "Average Difference" HA 109 0.407 -0.093 0.398 25700 3 1 1 "Average Difference" C 98 0.934 0.075 0.936 25700 4 1 1 "Average Difference" CA 99 0.975 -0.003 0.980 25700 5 1 1 "Average Difference" CB 89 2.807 -0.886 2.678 25700 6 1 1 "Average Difference" HN 98 0.532 -0.038 0.534 25700 7 1 2 "Average Difference" N 98 3.901 0.941 3.806 25700 8 1 2 "Average Difference" HA 109 0.425 -0.090 0.418 25700 9 1 2 "Average Difference" C 98 0.908 0.048 0.911 25700 10 1 2 "Average Difference" CA 99 1.025 -0.046 1.029 25700 11 1 2 "Average Difference" CB 89 2.830 -0.769 2.739 25700 12 1 2 "Average Difference" HN 98 0.580 -0.043 0.581 25700 13 1 3 "Average Difference" N 98 4.016 0.735 3.968 25700 14 1 3 "Average Difference" HA 109 0.396 -0.100 0.385 25700 15 1 3 "Average Difference" C 98 0.892 0.035 0.895 25700 16 1 3 "Average Difference" CA 99 1.011 0.043 1.016 25700 17 1 3 "Average Difference" CB 89 2.817 -0.677 2.750 25700 18 1 3 "Average Difference" HN 98 0.533 -0.027 0.535 25700 19 1 4 "Average Difference" N 98 4.033 0.787 3.976 25700 20 1 4 "Average Difference" HA 109 0.362 -0.089 0.353 25700 21 1 4 "Average Difference" C 98 0.925 0.091 0.926 25700 22 1 4 "Average Difference" CA 99 1.063 0.058 1.067 25700 23 1 4 "Average Difference" CB 89 2.822 -0.747 2.737 25700 24 1 4 "Average Difference" HN 98 0.544 -0.038 0.545 25700 25 1 5 "Average Difference" N 98 3.996 1.011 3.886 25700 26 1 5 "Average Difference" HA 109 0.396 -0.085 0.388 25700 27 1 5 "Average Difference" C 98 0.926 0.058 0.928 25700 28 1 5 "Average Difference" CA 99 0.978 0.045 0.982 25700 29 1 5 "Average Difference" CB 89 2.808 -0.780 2.713 25700 30 1 5 "Average Difference" HN 98 0.591 -0.057 0.591 25700 31 1 6 "Average Difference" N 98 4.005 1.090 3.874 25700 32 1 6 "Average Difference" HA 109 0.392 -0.074 0.387 25700 33 1 6 "Average Difference" C 98 0.885 0.086 0.885 25700 34 1 6 "Average Difference" CA 99 0.958 0.021 0.962 25700 35 1 6 "Average Difference" CB 89 2.746 -0.738 2.660 25700 36 1 6 "Average Difference" HN 98 0.538 -0.033 0.540 25700 37 1 7 "Average Difference" N 98 4.084 0.774 4.031 25700 38 1 7 "Average Difference" HA 109 0.392 -0.105 0.380 25700 39 1 7 "Average Difference" C 98 0.922 0.041 0.926 25700 40 1 7 "Average Difference" CA 99 0.970 0.033 0.975 25700 41 1 7 "Average Difference" CB 89 2.846 -0.836 2.736 25700 42 1 7 "Average Difference" HN 98 0.550 -0.073 0.548 25700 43 1 8 "Average Difference" N 98 3.900 1.022 3.783 25700 44 1 8 "Average Difference" HA 109 0.382 -0.085 0.375 25700 45 1 8 "Average Difference" C 98 0.900 0.062 0.902 25700 46 1 8 "Average Difference" CA 99 0.950 -0.027 0.955 25700 47 1 8 "Average Difference" CB 89 2.825 -0.748 2.739 25700 48 1 8 "Average Difference" HN 98 0.532 -0.046 0.533 25700 49 1 9 "Average Difference" N 98 4.006 0.919 3.919 25700 50 1 9 "Average Difference" HA 109 0.411 -0.091 0.402 25700 51 1 9 "Average Difference" C 98 0.910 0.104 0.908 25700 52 1 9 "Average Difference" CA 99 1.024 0.034 1.028 25700 53 1 9 "Average Difference" CB 89 2.839 -0.853 2.723 25700 54 1 9 "Average Difference" HN 98 0.547 -0.044 0.548 25700 55 1 10 "Average Difference" N 98 3.977 1.096 3.842 25700 56 1 10 "Average Difference" HA 109 0.424 -0.115 0.410 25700 57 1 10 "Average Difference" C 98 0.878 0.076 0.880 25700 58 1 10 "Average Difference" CA 99 0.966 0.067 0.968 25700 59 1 10 "Average Difference" CB 89 2.844 -0.962 2.691 25700 60 1 10 "Average Difference" HN 98 0.552 -0.052 0.553 25700 61 1 11 "Average Difference" N 98 4.129 0.792 4.074 25700 62 1 11 "Average Difference" HA 109 0.373 -0.083 0.366 25700 63 1 11 "Average Difference" C 98 0.892 0.117 0.889 25700 64 1 11 "Average Difference" CA 99 0.975 0.055 0.979 25700 65 1 11 "Average Difference" CB 89 2.873 -0.905 2.742 25700 66 1 11 "Average Difference" HN 98 0.552 -0.036 0.554 25700 67 1 12 "Average Difference" N 98 4.010 0.829 3.943 25700 68 1 12 "Average Difference" HA 109 0.403 -0.121 0.386 25700 69 1 12 "Average Difference" C 98 0.945 0.080 0.946 25700 70 1 12 "Average Difference" CA 99 1.008 -0.028 1.012 25700 71 1 12 "Average Difference" CB 89 2.758 -0.775 2.662 25700 72 1 12 "Average Difference" HN 98 0.536 -0.048 0.537 25700 73 1 13 "Average Difference" N 98 3.864 0.797 3.801 25700 74 1 13 "Average Difference" HA 109 0.415 -0.100 0.404 25700 75 1 13 "Average Difference" C 98 0.946 0.093 0.946 25700 76 1 13 "Average Difference" CA 99 1.102 0.016 1.108 25700 77 1 13 "Average Difference" CB 89 2.808 -0.838 2.695 25700 78 1 13 "Average Difference" HN 98 0.531 -0.044 0.532 25700 79 1 14 "Average Difference" N 98 4.007 0.887 3.928 25700 80 1 14 "Average Difference" HA 109 0.392 -0.098 0.381 25700 81 1 14 "Average Difference" C 98 0.903 0.085 0.903 25700 82 1 14 "Average Difference" CA 99 1.018 0.010 1.023 25700 83 1 14 "Average Difference" CB 89 2.873 -0.819 2.769 25700 84 1 14 "Average Difference" HN 98 0.561 -0.084 0.558 25700 85 1 15 "Average Difference" N 98 4.002 1.058 3.880 25700 86 1 15 "Average Difference" HA 109 0.411 -0.089 0.403 25700 87 1 15 "Average Difference" C 98 0.886 0.058 0.888 25700 88 1 15 "Average Difference" CA 99 1.001 0.042 1.005 25700 89 1 15 "Average Difference" CB 89 2.801 -0.763 2.711 25700 90 1 15 "Average Difference" HN 98 0.527 0.003 0.530 25700 91 1 16 "Average Difference" N 98 3.971 0.968 3.872 25700 92 1 16 "Average Difference" HA 109 0.387 -0.087 0.379 25700 93 1 16 "Average Difference" C 98 0.917 0.084 0.918 25700 94 1 16 "Average Difference" CA 99 0.971 0.005 0.976 25700 95 1 16 "Average Difference" CB 89 2.817 -0.793 2.719 25700 96 1 16 "Average Difference" HN 98 0.532 0.002 0.535 25700 97 1 17 "Average Difference" N 98 3.953 0.944 3.858 25700 98 1 17 "Average Difference" HA 109 0.406 -0.121 0.389 25700 99 1 17 "Average Difference" C 98 0.917 0.104 0.916 25700 100 1 17 "Average Difference" CA 99 0.994 0.081 0.996 25700 101 1 17 "Average Difference" CB 89 2.818 -0.852 2.702 25700 102 1 17 "Average Difference" HN 98 0.559 -0.053 0.559 25700 103 1 18 "Average Difference" N 98 3.953 0.982 3.849 25700 104 1 18 "Average Difference" HA 109 0.391 -0.093 0.382 25700 105 1 18 "Average Difference" C 98 0.896 0.061 0.898 25700 106 1 18 "Average Difference" CA 99 1.000 0.039 1.004 25700 107 1 18 "Average Difference" CB 89 2.835 -0.847 2.721 25700 108 1 18 "Average Difference" HN 98 0.534 -0.011 0.537 25700 109 1 19 "Average Difference" N 98 4.018 0.846 3.948 25700 110 1 19 "Average Difference" HA 109 0.384 -0.089 0.376 25700 111 1 19 "Average Difference" C 98 0.919 0.066 0.921 25700 112 1 19 "Average Difference" CA 99 1.028 0.023 1.033 25700 113 1 19 "Average Difference" CB 89 2.798 -0.767 2.706 25700 114 1 19 "Average Difference" HN 98 0.553 -0.049 0.554 25700 115 1 20 "Average Difference" N 98 3.957 0.915 3.869 25700 116 1 20 "Average Difference" HA 109 0.395 -0.102 0.383 25700 117 1 20 "Average Difference" C 98 0.901 0.067 0.904 25700 118 1 20 "Average Difference" CA 99 0.926 0.062 0.928 25700 119 1 20 "Average Difference" CB 89 2.853 -0.764 2.765 25700 120 1 20 "Average Difference" HN 98 0.562 -0.062 0.562 25700 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 25700 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 VAL N N 2 123.080 123.080 123.159 -0.079 25700 2 1 . 1 1 2 2 VAL HA H 2 4.678 4.678 4.269 0.409 25700 3 1 . 1 1 2 2 VAL C C 2 171.871 171.871 174.991 -3.120 25700 4 1 . 1 1 2 2 VAL CA C 2 59.500 59.500 61.083 -1.583 25700 5 1 . 1 1 2 2 VAL CB C 2 34.185 34.185 33.094 1.091 25700 6 1 . 1 1 2 2 VAL H H 2 8.041 8.041 8.428 -0.387 25700 7 1 . 1 1 3 3 GLN N N 3 123.080 123.080 122.004 1.076 25700 8 1 . 1 1 3 3 GLN HA H 3 4.660 4.660 4.727 -0.067 25700 9 1 . 1 1 3 3 GLN CA C 3 54.109 54.109 53.160 0.949 25700 10 1 . 1 1 3 3 GLN CB C 3 33.338 33.338 32.994 0.344 25700 11 1 . 1 1 3 3 GLN H H 3 8.126 8.126 8.976 -0.850 25700 12 1 . 1 1 4 4 CYS N N 4 115.260 115.260 116.868 -1.608 25700 13 1 . 1 1 4 4 CYS HA H 4 5.676 5.676 5.220 0.456 25700 14 1 . 1 1 4 4 CYS C C 4 171.720 171.720 173.179 -1.459 25700 15 1 . 1 1 4 4 CYS CA C 4 53.402 53.402 56.842 -3.440 25700 16 1 . 1 1 4 4 CYS CB C 4 45.525 45.525 31.036 14.489 25700 17 1 . 1 1 4 4 CYS H H 4 8.909 8.909 8.509 0.400 25700 18 1 . 1 1 5 5 GLU N N 5 117.764 117.764 120.755 -2.991 25700 19 1 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.721 -0.242 25700 20 1 . 1 1 5 5 GLU C C 5 174.088 174.088 174.203 -0.115 25700 21 1 . 1 1 5 5 GLU CA C 5 54.838 54.838 54.850 -0.012 25700 22 1 . 1 1 5 5 GLU CB C 5 34.155 34.155 34.036 0.119 25700 23 1 . 1 1 5 5 GLU H H 5 8.580 8.580 8.780 -0.200 25700 24 1 . 1 1 6 6 VAL N N 6 120.471 120.471 115.743 4.728 25700 25 1 . 1 1 6 6 VAL HA H 6 4.427 4.427 4.341 0.086 25700 26 1 . 1 1 6 6 VAL C C 6 174.211 174.211 174.432 -0.221 25700 27 1 . 1 1 6 6 VAL CA C 6 61.540 61.540 60.606 0.934 25700 28 1 . 1 1 6 6 VAL CB C 6 32.618 32.618 33.446 -0.828 25700 29 1 . 1 1 6 6 VAL H H 6 8.588 8.588 8.216 0.372 25700 30 1 . 1 1 7 7 GLU N N 7 125.816 125.816 125.144 0.672 25700 31 1 . 1 1 7 7 GLU HA H 7 4.548 4.548 4.778 -0.230 25700 32 1 . 1 1 7 7 GLU C C 7 174.194 174.194 174.878 -0.684 25700 33 1 . 1 1 7 7 GLU CA C 7 54.524 54.524 54.149 0.375 25700 34 1 . 1 1 7 7 GLU CB C 7 33.291 33.291 33.921 -0.630 25700 35 1 . 1 1 7 7 GLU H H 7 8.820 8.820 8.610 0.210 25700 36 1 . 1 1 8 8 ALA N N 8 122.882 122.882 123.146 -0.264 25700 37 1 . 1 1 8 8 ALA HA H 8 5.238 5.238 4.660 0.578 25700 38 1 . 1 1 8 8 ALA C C 8 175.557 175.557 175.474 0.083 25700 39 1 . 1 1 8 8 ALA CA C 8 49.950 49.950 51.051 -1.101 25700 40 1 . 1 1 8 8 ALA CB C 8 22.730 22.730 21.355 1.375 25700 41 1 . 1 1 8 8 ALA H H 8 8.410 8.410 8.568 -0.158 25700 42 1 . 1 1 9 9 ALA N N 9 124.110 124.110 127.909 -3.799 25700 43 1 . 1 1 9 9 ALA HA H 9 4.691 4.691 4.832 -0.141 25700 44 1 . 1 1 9 9 ALA C C 9 176.300 176.300 175.802 0.498 25700 45 1 . 1 1 9 9 ALA CA C 9 50.825 50.825 50.376 0.449 25700 46 1 . 1 1 9 9 ALA CB C 9 21.240 21.240 20.305 0.935 25700 47 1 . 1 1 9 9 ALA H H 9 8.407 8.407 9.110 -0.703 25700 48 1 . 1 1 10 10 VAL N N 10 126.780 126.780 125.800 0.980 25700 49 1 . 1 1 10 10 VAL HA H 10 4.379 4.379 4.083 0.296 25700 50 1 . 1 1 10 10 VAL C C 10 175.717 175.717 175.485 0.232 25700 51 1 . 1 1 10 10 VAL CA C 10 61.580 61.580 62.518 -0.938 25700 52 1 . 1 1 10 10 VAL CB C 10 32.209 32.209 31.899 0.310 25700 53 1 . 1 1 10 10 VAL H H 10 8.860 8.860 8.448 0.412 25700 54 1 . 1 1 11 11 SER N N 11 120.868 120.868 122.946 -2.078 25700 55 1 . 1 1 11 11 SER HA H 11 4.448 4.448 4.682 -0.234 25700 56 1 . 1 1 11 11 SER C C 11 175.498 175.498 174.358 1.140 25700 57 1 . 1 1 11 11 SER CA C 11 57.590 57.590 56.597 0.993 25700 58 1 . 1 1 11 11 SER CB C 11 64.000 64.000 65.223 -1.223 25700 59 1 . 1 1 11 11 SER H H 11 8.478 8.478 8.873 -0.395 25700 60 1 . 1 1 12 12 GLY N N 12 116.896 116.896 108.434 8.462 25700 61 1 . 1 1 12 12 GLY C C 12 174.994 174.994 174.698 0.296 25700 62 1 . 1 1 12 12 GLY CA C 12 47.515 47.515 45.819 1.696 25700 63 1 . 1 1 12 12 GLY H H 12 9.120 9.120 8.539 0.581 25700 64 1 . 1 1 13 13 GLY N N 13 108.984 108.984 113.336 -4.352 25700 65 1 . 1 1 13 13 GLY C C 13 174.440 174.440 173.517 0.923 25700 66 1 . 1 1 13 13 GLY CA C 13 45.383 45.383 44.998 0.385 25700 67 1 . 1 1 13 13 GLY H H 13 8.816 8.816 8.347 0.469 25700 68 1 . 1 1 14 14 HIS N N 14 118.737 118.737 118.662 0.075 25700 69 1 . 1 1 14 14 HIS HA H 14 5.458 5.458 5.351 0.107 25700 70 1 . 1 1 14 14 HIS C C 14 172.243 172.243 173.069 -0.826 25700 71 1 . 1 1 14 14 HIS CA C 14 54.905 54.905 55.249 -0.344 25700 72 1 . 1 1 14 14 HIS CB C 14 32.311 32.311 33.705 -1.394 25700 73 1 . 1 1 14 14 HIS H H 14 8.084 8.084 7.524 0.560 25700 74 1 . 1 1 15 15 VAL N N 15 120.204 120.204 123.497 -3.293 25700 75 1 . 1 1 15 15 VAL HA H 15 4.932 4.932 4.681 0.251 25700 76 1 . 1 1 15 15 VAL C C 15 172.314 172.314 174.157 -1.843 25700 77 1 . 1 1 15 15 VAL CA C 15 58.540 58.540 59.951 -1.411 25700 78 1 . 1 1 15 15 VAL CB C 15 34.285 34.285 34.298 -0.013 25700 79 1 . 1 1 15 15 VAL H H 15 9.369 9.369 9.167 0.202 25700 80 1 . 1 1 16 16 THR N N 16 123.685 123.685 126.443 -2.758 25700 81 1 . 1 1 16 16 THR HA H 16 5.220 5.220 4.808 0.412 25700 82 1 . 1 1 16 16 THR C C 16 174.478 174.478 173.020 1.458 25700 83 1 . 1 1 16 16 THR CA C 16 61.481 61.481 62.730 -1.249 25700 84 1 . 1 1 16 16 THR CB C 16 70.017 70.017 69.230 0.787 25700 85 1 . 1 1 16 16 THR H H 16 8.604 8.604 9.162 -0.558 25700 86 1 . 1 1 17 17 LEU N N 17 128.958 128.958 129.370 -0.412 25700 87 1 . 1 1 17 17 LEU HA H 17 5.407 5.407 4.671 0.736 25700 88 1 . 1 1 17 17 LEU C C 17 174.481 174.481 174.241 0.240 25700 89 1 . 1 1 17 17 LEU CA C 17 53.999 53.999 53.982 0.017 25700 90 1 . 1 1 17 17 LEU CB C 17 44.108 44.108 44.860 -0.752 25700 91 1 . 1 1 17 17 LEU H H 17 9.627 9.627 9.258 0.369 25700 92 1 . 1 1 18 18 GLN N N 18 115.227 115.227 121.140 -5.913 25700 93 1 . 1 1 18 18 GLN HA H 18 4.465 4.465 5.184 -0.719 25700 94 1 . 1 1 18 18 GLN C C 18 174.042 174.042 174.627 -0.585 25700 95 1 . 1 1 18 18 GLN CA C 18 53.725 53.725 54.086 -0.361 25700 96 1 . 1 1 18 18 GLN CB C 18 31.767 31.767 33.337 -1.570 25700 97 1 . 1 1 18 18 GLN H H 18 8.243 8.243 8.530 -0.287 25700 98 1 . 1 1 19 19 GLY N N 19 107.795 107.795 108.444 -0.649 25700 99 1 . 1 1 19 19 GLY C C 19 172.005 172.005 172.644 -0.639 25700 100 1 . 1 1 19 19 GLY CA C 19 44.485 44.485 43.840 0.645 25700 101 1 . 1 1 19 19 GLY H H 19 9.100 9.100 8.978 0.122 25700 102 1 . 1 1 20 20 VAL N N 20 120.951 120.951 127.043 -6.092 25700 103 1 . 1 1 20 20 VAL HA H 20 4.634 4.634 4.115 0.519 25700 104 1 . 1 1 20 20 VAL C C 20 175.670 175.670 175.176 0.494 25700 105 1 . 1 1 20 20 VAL CA C 20 61.380 61.380 62.465 -1.085 25700 106 1 . 1 1 20 20 VAL CB C 20 33.990 33.990 32.445 1.545 25700 107 1 . 1 1 20 20 VAL H H 20 8.859 8.859 8.707 0.152 25700 108 1 . 1 1 21 21 ILE N N 21 129.511 129.511 130.331 -0.820 25700 109 1 . 1 1 21 21 ILE HA H 21 4.443 4.443 4.480 -0.037 25700 110 1 . 1 1 21 21 ILE C C 21 174.567 174.567 175.492 -0.925 25700 111 1 . 1 1 21 21 ILE CA C 21 59.883 59.883 60.292 -0.409 25700 112 1 . 1 1 21 21 ILE CB C 21 41.152 41.152 39.053 2.099 25700 113 1 . 1 1 21 21 ILE H H 21 9.304 9.304 9.139 0.165 25700 114 1 . 1 1 22 22 THR N N 22 120.311 120.311 125.622 -5.311 25700 115 1 . 1 1 22 22 THR HA H 22 4.479 4.479 4.924 -0.445 25700 116 1 . 1 1 22 22 THR C C 22 172.996 172.996 173.427 -0.431 25700 117 1 . 1 1 22 22 THR CA C 22 61.647 61.647 62.574 -0.927 25700 118 1 . 1 1 22 22 THR CB C 22 70.230 70.230 69.516 0.714 25700 119 1 . 1 1 22 22 THR H H 22 8.063 8.063 8.539 -0.476 25700 120 1 . 1 1 23 23 ALA N N 23 104.959 104.959 129.466 -24.507 25700 121 1 . 1 1 23 23 ALA HA H 23 5.056 5.056 4.814 0.242 25700 122 1 . 1 1 23 23 ALA C C 23 177.722 177.722 177.160 0.562 25700 123 1 . 1 1 23 23 ALA CA C 23 49.963 49.963 50.195 -0.232 25700 124 1 . 1 1 23 23 ALA CB C 23 22.915 22.915 21.234 1.681 25700 125 1 . 1 1 23 23 ALA H H 23 9.764 9.764 8.649 1.115 25700 126 1 . 1 1 24 24 VAL N N 24 113.370 113.370 122.570 -9.200 25700 127 1 . 1 1 24 24 VAL HA H 24 4.083 4.083 3.981 0.102 25700 128 1 . 1 1 24 24 VAL C C 24 174.539 174.539 175.384 -0.845 25700 129 1 . 1 1 24 24 VAL CA C 24 62.339 62.339 64.066 -1.727 25700 130 1 . 1 1 24 24 VAL CB C 24 31.933 31.933 31.670 0.263 25700 131 1 . 1 1 24 24 VAL H H 24 8.239 8.239 8.326 -0.087 25700 132 1 . 1 1 25 25 ARG N N 25 116.002 116.002 118.597 -2.595 25700 133 1 . 1 1 25 25 ARG HA H 25 4.740 4.740 4.541 0.199 25700 134 1 . 1 1 25 25 ARG C C 25 172.797 172.797 174.634 -1.837 25700 135 1 . 1 1 25 25 ARG CA C 25 53.284 53.284 53.928 -0.644 25700 136 1 . 1 1 25 25 ARG CB C 25 33.542 33.542 32.875 0.667 25700 137 1 . 1 1 25 25 ARG H H 25 7.308 7.308 7.710 -0.402 25700 138 1 . 1 1 26 26 ASP N N 26 118.075 118.075 122.196 -4.121 25700 139 1 . 1 1 26 26 ASP HA H 26 4.665 4.665 4.989 -0.325 25700 140 1 . 1 1 26 26 ASP C C 26 177.721 177.721 176.103 1.618 25700 141 1 . 1 1 26 26 ASP CA C 26 53.911 53.911 53.881 0.030 25700 142 1 . 1 1 26 26 ASP CB C 26 41.143 41.143 41.593 -0.450 25700 143 1 . 1 1 26 26 ASP H H 26 8.301 8.301 8.372 -0.071 25700 144 1 . 1 1 27 27 GLY N N 27 106.966 106.966 109.399 -2.433 25700 145 1 . 1 1 27 27 GLY C C 27 170.472 170.472 172.105 -1.633 25700 146 1 . 1 1 27 27 GLY CA C 27 46.213 46.213 45.199 1.014 25700 147 1 . 1 1 27 27 GLY H H 27 8.276 8.276 8.738 -0.462 25700 148 1 . 1 1 28 28 ALA N N 28 122.805 122.805 123.168 -0.363 25700 149 1 . 1 1 28 28 ALA HA H 28 4.898 4.898 5.018 -0.120 25700 150 1 . 1 1 28 28 ALA C C 28 176.720 176.720 175.576 1.144 25700 151 1 . 1 1 28 28 ALA CA C 28 50.756 50.756 50.912 -0.155 25700 152 1 . 1 1 28 28 ALA CB C 28 21.482 21.482 21.644 -0.162 25700 153 1 . 1 1 28 28 ALA H H 28 8.065 8.065 8.155 -0.090 25700 154 1 . 1 1 29 29 GLY N N 29 106.538 106.538 107.054 -0.516 25700 155 1 . 1 1 29 29 GLY C C 29 172.866 172.866 170.880 1.986 25700 156 1 . 1 1 29 29 GLY CA C 29 45.538 45.538 43.272 2.266 25700 157 1 . 1 1 29 29 GLY H H 29 7.654 7.654 8.667 -1.013 25700 158 1 . 1 1 30 30 SER N N 30 116.216 116.216 113.401 2.815 25700 159 1 . 1 1 30 30 SER HA H 30 5.564 5.564 4.596 0.968 25700 160 1 . 1 1 30 30 SER C C 30 172.216 172.216 172.596 -0.380 25700 161 1 . 1 1 30 30 SER CA C 30 57.505 57.505 56.594 0.911 25700 162 1 . 1 1 30 30 SER CB C 30 66.321 66.321 65.670 0.651 25700 163 1 . 1 1 30 30 SER H H 30 9.185 9.185 7.713 1.472 25700 164 1 . 1 1 31 31 TYR N N 31 118.467 118.467 116.988 1.479 25700 165 1 . 1 1 31 31 TYR HA H 31 6.035 6.035 5.087 0.948 25700 166 1 . 1 1 31 31 TYR C C 31 174.138 174.138 173.873 0.265 25700 167 1 . 1 1 31 31 TYR CA C 31 55.806 55.806 56.381 -0.575 25700 168 1 . 1 1 31 31 TYR CB C 31 43.091 43.091 41.466 1.625 25700 169 1 . 1 1 31 31 TYR H H 31 9.215 9.215 8.671 0.544 25700 170 1 . 1 1 32 32 LYS N N 32 121.086 121.086 120.132 0.954 25700 171 1 . 1 1 32 32 LYS HA H 32 4.772 4.772 4.906 -0.134 25700 172 1 . 1 1 32 32 LYS C C 32 173.750 173.750 174.279 -0.529 25700 173 1 . 1 1 32 32 LYS CA C 32 56.495 56.495 55.205 1.290 25700 174 1 . 1 1 32 32 LYS CB C 32 35.800 35.800 34.562 1.238 25700 175 1 . 1 1 32 32 LYS H H 32 8.904 8.904 9.352 -0.448 25700 176 1 . 1 1 33 33 LEU N N 33 128.296 128.296 127.315 0.981 25700 177 1 . 1 1 33 33 LEU HA H 33 5.329 5.329 5.046 0.283 25700 178 1 . 1 1 33 33 LEU C C 33 173.389 173.389 174.285 -0.896 25700 179 1 . 1 1 33 33 LEU CA C 33 53.547 53.547 53.046 0.501 25700 180 1 . 1 1 33 33 LEU CB C 33 45.460 45.460 44.554 0.906 25700 181 1 . 1 1 33 33 LEU H H 33 9.663 9.663 8.917 0.746 25700 182 1 . 1 1 34 34 ALA N N 34 129.791 129.791 130.207 -0.416 25700 183 1 . 1 1 34 34 ALA HA H 34 5.419 5.419 5.101 0.318 25700 184 1 . 1 1 34 34 ALA C C 34 176.313 176.313 175.293 1.020 25700 185 1 . 1 1 34 34 ALA CA C 34 50.605 50.605 50.136 0.469 25700 186 1 . 1 1 34 34 ALA CB C 34 21.237 21.237 22.393 -1.156 25700 187 1 . 1 1 34 34 ALA H H 34 9.044 9.044 9.297 -0.253 25700 188 1 . 1 1 35 35 VAL N N 35 124.532 124.532 122.905 1.627 25700 189 1 . 1 1 35 35 VAL HA H 35 4.844 4.844 4.577 0.267 25700 190 1 . 1 1 35 35 VAL C C 35 173.511 173.511 174.401 -0.890 25700 191 1 . 1 1 35 35 VAL CA C 35 61.113 61.113 61.039 0.074 25700 192 1 . 1 1 35 35 VAL CB C 35 35.152 35.152 34.648 0.504 25700 193 1 . 1 1 35 35 VAL H H 35 9.332 9.332 8.680 0.652 25700 194 1 . 1 1 36 36 ASP N N 36 127.077 127.077 126.700 0.377 25700 195 1 . 1 1 36 36 ASP HA H 36 5.560 5.560 5.271 0.289 25700 196 1 . 1 1 36 36 ASP C C 36 174.146 174.146 174.585 -0.439 25700 197 1 . 1 1 36 36 ASP CA C 36 53.219 53.219 53.166 0.053 25700 198 1 . 1 1 36 36 ASP CB C 36 44.387 44.387 43.594 0.793 25700 199 1 . 1 1 36 36 ASP H H 36 9.169 9.169 9.212 -0.043 25700 200 1 . 1 1 37 37 LYS N N 37 122.568 122.568 126.463 -3.895 25700 201 1 . 1 1 37 37 LYS HA H 37 4.673 4.673 5.458 -0.785 25700 202 1 . 1 1 37 37 LYS C C 37 173.710 173.710 174.507 -0.797 25700 203 1 . 1 1 37 37 LYS CA C 37 54.410 54.410 54.717 -0.307 25700 204 1 . 1 1 37 37 LYS CB C 37 34.907 34.907 35.917 -1.010 25700 205 1 . 1 1 37 37 LYS H H 37 8.665 8.665 8.774 -0.109 25700 206 1 . 1 1 38 38 ALA N N 38 130.221 130.221 127.761 2.460 25700 207 1 . 1 1 38 38 ALA HA H 38 4.983 4.983 5.198 -0.215 25700 208 1 . 1 1 38 38 ALA C C 38 176.141 176.141 175.191 0.950 25700 209 1 . 1 1 38 38 ALA CA C 38 51.093 51.093 51.192 -0.099 25700 210 1 . 1 1 38 38 ALA CB C 38 21.778 21.778 21.835 -0.057 25700 211 1 . 1 1 38 38 ALA H H 38 8.798 8.798 9.053 -0.255 25700 212 1 . 1 1 39 39 GLY N N 39 109.328 109.328 109.583 -0.255 25700 213 1 . 1 1 39 39 GLY C C 39 174.208 174.208 174.219 -0.011 25700 214 1 . 1 1 39 39 GLY CA C 39 44.645 44.645 44.583 0.062 25700 215 1 . 1 1 39 39 GLY H H 39 7.851 7.851 8.542 -0.691 25700 216 1 . 1 1 40 40 ALA N N 40 125.088 125.088 122.208 2.880 25700 217 1 . 1 1 40 40 ALA HA H 40 4.051 4.051 4.175 -0.124 25700 218 1 . 1 1 40 40 ALA C C 40 178.917 178.917 178.598 0.319 25700 219 1 . 1 1 40 40 ALA CA C 40 54.841 54.841 54.470 0.371 25700 220 1 . 1 1 40 40 ALA CB C 40 18.293 18.293 18.597 -0.304 25700 221 1 . 1 1 40 40 ALA H H 40 8.766 8.766 8.511 0.255 25700 222 1 . 1 1 41 41 ALA N N 41 117.569 117.569 119.858 -2.289 25700 223 1 . 1 1 41 41 ALA HA H 41 4.419 4.419 4.409 0.010 25700 224 1 . 1 1 41 41 ALA C C 41 177.136 177.136 177.686 -0.550 25700 225 1 . 1 1 41 41 ALA CA C 41 51.929 51.929 51.529 0.400 25700 226 1 . 1 1 41 41 ALA CB C 41 18.774 18.774 18.859 -0.085 25700 227 1 . 1 1 41 41 ALA H H 41 8.300 8.300 8.048 0.252 25700 228 1 . 1 1 42 42 GLY N N 42 106.796 106.796 106.896 -0.100 25700 229 1 . 1 1 42 42 GLY C C 42 173.379 173.379 172.491 0.888 25700 230 1 . 1 1 42 42 GLY CA C 42 44.336 44.336 44.368 -0.032 25700 231 1 . 1 1 42 42 GLY H H 42 7.577 7.577 7.610 -0.033 25700 232 1 . 1 1 43 43 THR N N 43 116.541 116.541 112.910 3.631 25700 233 1 . 1 1 43 43 THR HA H 43 5.263 5.263 5.244 0.019 25700 234 1 . 1 1 43 43 THR C C 43 174.244 174.244 174.050 0.194 25700 235 1 . 1 1 43 43 THR CA C 43 61.137 61.137 60.580 0.557 25700 236 1 . 1 1 43 43 THR CB C 43 70.759 70.759 70.784 -0.025 25700 237 1 . 1 1 43 43 THR H H 43 8.526 8.526 8.243 0.283 25700 238 1 . 1 1 44 44 SER N N 44 120.903 120.903 119.060 1.843 25700 239 1 . 1 1 44 44 SER HA H 44 4.759 4.759 4.750 0.009 25700 240 1 . 1 1 44 44 SER C C 44 172.241 172.241 173.030 -0.789 25700 241 1 . 1 1 44 44 SER CA C 44 57.340 57.340 57.620 -0.280 25700 242 1 . 1 1 44 44 SER CB C 44 65.568 65.568 66.005 -0.437 25700 243 1 . 1 1 44 44 SER H H 44 8.904 8.904 9.093 -0.189 25700 244 1 . 1 1 45 45 ARG N N 45 124.546 124.546 124.483 0.063 25700 245 1 . 1 1 45 45 ARG HA H 45 5.489 5.489 4.793 0.696 25700 246 1 . 1 1 45 45 ARG C C 45 175.520 175.520 175.693 -0.173 25700 247 1 . 1 1 45 45 ARG CA C 45 55.101 55.101 55.109 -0.008 25700 248 1 . 1 1 45 45 ARG CB C 45 32.760 32.760 31.088 1.672 25700 249 1 . 1 1 45 45 ARG H H 45 8.579 8.579 8.598 -0.019 25700 250 1 . 1 1 46 46 ILE N N 46 127.920 127.920 127.376 0.544 25700 251 1 . 1 1 46 46 ILE HA H 46 4.460 4.460 4.327 0.133 25700 252 1 . 1 1 46 46 ILE C C 46 174.450 174.450 174.648 -0.198 25700 253 1 . 1 1 46 46 ILE CA C 46 60.220 60.220 60.406 -0.186 25700 254 1 . 1 1 46 46 ILE CB C 46 41.290 41.290 40.546 0.744 25700 255 1 . 1 1 46 46 ILE H H 46 9.344 9.344 9.060 0.284 25700 256 1 . 1 1 47 47 LYS N N 47 126.061 126.061 127.238 -1.177 25700 257 1 . 1 1 47 47 LYS HA H 47 5.514 5.514 4.736 0.778 25700 258 1 . 1 1 47 47 LYS C C 47 175.790 175.790 175.143 0.647 25700 259 1 . 1 1 47 47 LYS CA C 47 54.870 54.870 55.538 -0.668 25700 260 1 . 1 1 47 47 LYS CB C 47 35.386 35.386 34.567 0.819 25700 261 1 . 1 1 47 47 LYS H H 47 8.734 8.734 8.580 0.154 25700 262 1 . 1 1 48 48 GLN N N 48 122.633 122.633 125.314 -2.681 25700 263 1 . 1 1 48 48 GLN HA H 48 4.669 4.669 4.675 -0.006 25700 264 1 . 1 1 48 48 GLN C C 48 173.659 173.659 173.780 -0.121 25700 265 1 . 1 1 48 48 GLN CA C 48 54.895 54.895 54.954 -0.059 25700 266 1 . 1 1 48 48 GLN CB C 48 33.072 33.072 32.466 0.606 25700 267 1 . 1 1 48 48 GLN H H 48 9.228 9.228 9.047 0.181 25700 268 1 . 1 1 49 49 ALA N N 49 125.634 125.634 125.311 0.323 25700 269 1 . 1 1 49 49 ALA HA H 49 4.544 4.544 5.193 -0.648 25700 270 1 . 1 1 49 49 ALA C C 49 175.881 175.881 176.134 -0.253 25700 271 1 . 1 1 49 49 ALA CA C 49 50.993 50.993 51.211 -0.218 25700 272 1 . 1 1 49 49 ALA CB C 49 22.620 22.620 21.584 1.036 25700 273 1 . 1 1 49 49 ALA H H 49 8.557 8.557 8.480 0.077 25700 274 1 . 1 1 50 50 GLY N N 50 105.483 105.483 108.571 -3.088 25700 275 1 . 1 1 50 50 GLY C C 50 170.217 170.217 171.563 -1.346 25700 276 1 . 1 1 50 50 GLY CA C 50 45.670 45.670 46.150 -0.480 25700 277 1 . 1 1 50 50 GLY H H 50 6.865 6.865 8.415 -1.550 25700 278 1 . 1 1 51 51 ALA N N 51 122.908 122.908 121.901 1.007 25700 279 1 . 1 1 51 51 ALA HA H 51 5.265 5.265 4.831 0.434 25700 280 1 . 1 1 51 51 ALA C C 51 176.793 176.793 175.199 1.594 25700 281 1 . 1 1 51 51 ALA CA C 51 50.736 50.736 50.796 -0.060 25700 282 1 . 1 1 51 51 ALA CB C 51 21.840 21.840 21.581 0.259 25700 283 1 . 1 1 51 51 ALA H H 51 8.522 8.522 8.106 0.416 25700 284 1 . 1 1 52 52 PHE N N 52 115.156 115.156 121.034 -5.878 25700 285 1 . 1 1 52 52 PHE HA H 52 5.106 5.106 4.915 0.191 25700 286 1 . 1 1 52 52 PHE C C 52 172.832 172.832 173.729 -0.897 25700 287 1 . 1 1 52 52 PHE CA C 52 56.890 56.890 56.774 0.116 25700 288 1 . 1 1 52 52 PHE CB C 52 42.428 42.428 42.971 -0.543 25700 289 1 . 1 1 52 52 PHE H H 52 8.191 8.191 8.848 -0.657 25700 290 1 . 1 1 53 53 THR N N 53 116.180 116.180 115.270 0.910 25700 291 1 . 1 1 53 53 THR HA H 53 4.631 4.631 4.510 0.121 25700 292 1 . 1 1 53 53 THR C C 53 172.769 172.769 173.058 -0.289 25700 293 1 . 1 1 53 53 THR CA C 53 61.610 61.610 60.992 0.618 25700 294 1 . 1 1 53 53 THR CB C 53 70.736 70.736 68.702 2.034 25700 295 1 . 1 1 53 53 THR H H 53 8.650 8.650 6.727 1.923 25700 296 1 . 1 1 54 54 ALA N N 54 127.969 127.969 128.859 -0.890 25700 297 1 . 1 1 54 54 ALA HA H 54 4.748 4.748 4.754 -0.006 25700 298 1 . 1 1 54 54 ALA C C 54 176.369 176.369 175.082 1.287 25700 299 1 . 1 1 54 54 ALA CA C 54 51.397 51.397 50.444 0.953 25700 300 1 . 1 1 54 54 ALA CB C 54 22.010 22.010 22.211 -0.201 25700 301 1 . 1 1 54 54 ALA H H 54 9.353 9.353 8.639 0.714 25700 302 1 . 1 1 55 55 ILE N N 55 123.326 123.326 121.264 2.062 25700 303 1 . 1 1 55 55 ILE HA H 55 4.391 4.391 4.273 0.118 25700 304 1 . 1 1 55 55 ILE C C 55 176.079 176.079 175.588 0.491 25700 305 1 . 1 1 55 55 ILE CA C 55 59.138 59.138 59.865 -0.727 25700 306 1 . 1 1 55 55 ILE CB C 55 39.451 39.451 40.664 -1.213 25700 307 1 . 1 1 55 55 ILE H H 55 7.856 7.856 8.623 -0.767 25700 308 1 . 1 1 56 56 ALA N N 56 130.280 130.280 128.320 1.960 25700 309 1 . 1 1 56 56 ALA HA H 56 3.493 3.493 4.361 -0.868 25700 310 1 . 1 1 56 56 ALA C C 56 177.405 177.405 177.706 -0.301 25700 311 1 . 1 1 56 56 ALA CA C 56 54.156 54.156 52.377 1.779 25700 312 1 . 1 1 56 56 ALA CB C 56 18.871 18.871 18.772 0.099 25700 313 1 . 1 1 56 56 ALA H H 56 9.104 9.104 8.500 0.604 25700 314 1 . 1 1 57 57 GLU N N 57 113.081 113.081 119.184 -6.103 25700 315 1 . 1 1 57 57 GLU HA H 57 3.614 3.614 3.780 -0.166 25700 316 1 . 1 1 57 57 GLU C C 57 174.959 174.959 175.274 -0.315 25700 317 1 . 1 1 57 57 GLU CA C 57 58.080 58.080 57.567 0.514 25700 318 1 . 1 1 57 57 GLU CB C 57 27.141 27.141 28.258 -1.117 25700 319 1 . 1 1 57 57 GLU H H 57 9.007 9.007 8.895 0.112 25700 320 1 . 1 1 58 58 GLN N N 58 119.796 119.796 117.795 2.001 25700 321 1 . 1 1 58 58 GLN HA H 58 4.519 4.519 4.636 -0.117 25700 322 1 . 1 1 58 58 GLN C C 58 175.217 175.217 174.799 0.418 25700 323 1 . 1 1 58 58 GLN CA C 58 54.379 54.379 53.871 0.508 25700 324 1 . 1 1 58 58 GLN CB C 58 30.102 30.102 31.492 -1.390 25700 325 1 . 1 1 58 58 GLN H H 58 8.061 8.061 7.732 0.329 25700 326 1 . 1 1 59 59 ARG N N 59 124.810 124.810 123.461 1.349 25700 327 1 . 1 1 59 59 ARG HA H 59 4.286 4.286 4.450 -0.164 25700 328 1 . 1 1 59 59 ARG C C 59 176.396 176.396 175.937 0.459 25700 329 1 . 1 1 59 59 ARG CA C 59 56.810 56.810 55.698 1.112 25700 330 1 . 1 1 59 59 ARG CB C 59 30.906 30.906 30.589 0.317 25700 331 1 . 1 1 59 59 ARG H H 59 8.486 8.486 8.596 -0.110 25700 332 1 . 1 1 60 60 VAL N N 60 127.238 127.238 128.068 -0.830 25700 333 1 . 1 1 60 60 VAL HA H 60 4.319 4.319 4.367 -0.048 25700 334 1 . 1 1 60 60 VAL C C 60 174.543 174.543 174.882 -0.339 25700 335 1 . 1 1 60 60 VAL CA C 60 61.227 61.227 61.050 0.177 25700 336 1 . 1 1 60 60 VAL CB C 60 34.177 34.177 33.862 0.315 25700 337 1 . 1 1 60 60 VAL H H 60 9.033 9.033 9.123 -0.089 25700 338 1 . 1 1 61 61 THR N N 61 120.913 120.913 124.279 -3.366 25700 339 1 . 1 1 61 61 THR HA H 61 5.096 5.096 4.656 0.440 25700 340 1 . 1 1 61 61 THR C C 61 174.645 174.645 173.673 0.972 25700 341 1 . 1 1 61 61 THR CA C 61 60.686 60.686 62.249 -1.563 25700 342 1 . 1 1 61 61 THR CB C 61 69.710 69.710 69.317 0.393 25700 343 1 . 1 1 61 61 THR H H 61 8.340 8.340 8.619 -0.279 25700 344 1 . 1 1 62 62 VAL N N 62 117.650 117.650 125.980 -8.330 25700 345 1 . 1 1 62 62 VAL HA H 62 4.294 4.294 4.117 0.177 25700 346 1 . 1 1 62 62 VAL C C 62 174.530 174.530 175.122 -0.592 25700 347 1 . 1 1 62 62 VAL CA C 62 58.641 58.641 60.803 -2.162 25700 348 1 . 1 1 62 62 VAL CB C 62 34.263 34.263 34.870 -0.607 25700 349 1 . 1 1 62 62 VAL H H 62 8.658 8.658 8.958 -0.300 25700 350 1 . 1 1 63 63 GLY N N 63 107.924 107.924 113.776 -5.852 25700 351 1 . 1 1 63 63 GLY C C 63 172.475 172.475 173.281 -0.806 25700 352 1 . 1 1 63 63 GLY CA C 63 43.668 43.668 44.768 -1.100 25700 353 1 . 1 1 63 63 GLY H H 63 7.857 7.857 8.575 -0.718 25700 354 1 . 1 1 64 64 ASN N N 64 116.073 116.073 119.802 -3.729 25700 355 1 . 1 1 64 64 ASN HA H 64 4.530 4.530 4.774 -0.244 25700 356 1 . 1 1 64 64 ASN C C 64 173.307 173.307 174.836 -1.529 25700 357 1 . 1 1 64 64 ASN CA C 64 55.380 55.380 52.792 2.588 25700 358 1 . 1 1 64 64 ASN CB C 64 39.159 39.159 38.718 0.441 25700 359 1 . 1 1 64 64 ASN H H 64 8.933 8.933 8.059 0.874 25700 360 1 . 1 1 65 65 VAL N N 65 126.612 126.612 122.799 3.813 25700 361 1 . 1 1 65 65 VAL HA H 65 4.238 4.238 4.444 -0.206 25700 362 1 . 1 1 65 65 VAL C C 65 173.538 173.538 174.163 -0.625 25700 363 1 . 1 1 65 65 VAL CA C 65 61.970 61.970 60.492 1.478 25700 364 1 . 1 1 65 65 VAL CB C 65 33.829 33.829 34.881 -1.052 25700 365 1 . 1 1 65 65 VAL H H 65 8.548 8.548 8.605 -0.057 25700 366 1 . 1 1 66 66 VAL N N 66 127.886 127.886 126.477 1.409 25700 367 1 . 1 1 66 66 VAL HA H 66 4.990 4.990 4.535 0.455 25700 368 1 . 1 1 66 66 VAL C C 66 175.271 175.271 175.651 -0.380 25700 369 1 . 1 1 66 66 VAL CA C 66 61.360 61.360 61.267 0.093 25700 370 1 . 1 1 66 66 VAL CB C 66 32.923 32.923 32.575 0.348 25700 371 1 . 1 1 66 66 VAL H H 66 8.364 8.364 8.326 0.038 25700 372 1 . 1 1 67 67 LEU N N 67 126.454 126.454 127.608 -1.154 25700 373 1 . 1 1 67 67 LEU HA H 67 4.955 4.955 4.742 0.213 25700 374 1 . 1 1 67 67 LEU C C 67 176.547 176.547 176.277 0.270 25700 375 1 . 1 1 67 67 LEU CA C 67 52.492 52.492 52.098 0.394 25700 376 1 . 1 1 67 67 LEU CB C 67 46.685 46.685 43.288 3.397 25700 377 1 . 1 1 67 67 LEU H H 67 9.050 9.050 9.098 -0.048 25700 378 1 . 1 1 68 68 ASP N N 68 119.799 119.799 119.364 0.435 25700 379 1 . 1 1 68 68 ASP HA H 68 4.609 4.609 4.540 0.069 25700 380 1 . 1 1 68 68 ASP C C 68 176.247 176.247 175.706 0.541 25700 381 1 . 1 1 68 68 ASP CA C 68 55.492 55.492 53.828 1.664 25700 382 1 . 1 1 68 68 ASP CB C 68 40.566 40.566 41.225 -0.659 25700 383 1 . 1 1 68 68 ASP H H 68 8.722 8.722 8.633 0.089 25700 384 1 . 1 1 69 69 TYR N N 69 123.398 123.398 125.845 -2.447 25700 385 1 . 1 1 69 69 TYR HA H 69 4.651 4.651 4.539 0.112 25700 386 1 . 1 1 69 69 TYR C C 69 174.253 174.253 174.062 0.191 25700 387 1 . 1 1 69 69 TYR CA C 69 57.767 57.767 58.668 -0.901 25700 388 1 . 1 1 69 69 TYR CB C 69 40.067 40.067 38.828 1.239 25700 389 1 . 1 1 69 69 TYR H H 69 8.603 8.603 7.969 0.634 25700 390 1 . 1 1 70 70 SER N N 70 121.308 121.308 122.382 -1.074 25700 391 1 . 1 1 70 70 SER HA H 70 4.059 4.059 4.182 -0.123 25700 392 1 . 1 1 70 70 SER C C 70 174.851 174.851 174.319 0.532 25700 393 1 . 1 1 70 70 SER CA C 70 56.341 56.341 56.476 -0.135 25700 394 1 . 1 1 70 70 SER CB C 70 64.634 64.634 65.440 -0.806 25700 395 1 . 1 1 70 70 SER H H 70 6.749 6.749 8.274 -1.525 25700 396 1 . 1 1 71 71 SER N N 71 122.764 122.764 119.870 2.894 25700 397 1 . 1 1 71 71 SER HA H 71 4.221 4.221 4.310 -0.089 25700 398 1 . 1 1 71 71 SER C C 71 174.098 174.098 175.288 -1.190 25700 399 1 . 1 1 71 71 SER CA C 71 60.326 60.326 60.373 -0.047 25700 400 1 . 1 1 71 71 SER CB C 71 62.814 62.814 63.081 -0.267 25700 401 1 . 1 1 71 71 SER H H 71 8.907 8.907 8.326 0.581 25700 402 1 . 1 1 72 72 ALA N N 72 122.199 122.199 121.288 0.911 25700 403 1 . 1 1 72 72 ALA HA H 72 4.320 4.320 4.407 -0.087 25700 404 1 . 1 1 72 72 ALA C C 72 177.749 177.749 176.963 0.786 25700 405 1 . 1 1 72 72 ALA CA C 72 52.283 52.283 51.586 0.698 25700 406 1 . 1 1 72 72 ALA CB C 72 18.950 18.950 18.619 0.331 25700 407 1 . 1 1 72 72 ALA H H 72 7.869 7.869 7.884 -0.015 25700 408 1 . 1 1 73 73 ASN N N 73 116.297 116.297 117.400 -1.103 25700 409 1 . 1 1 73 73 ASN HA H 73 5.076 5.076 4.511 0.565 25700 410 1 . 1 1 73 73 ASN C C 73 173.794 173.794 174.576 -0.782 25700 411 1 . 1 1 73 73 ASN CA C 73 51.612 51.612 52.757 -1.145 25700 412 1 . 1 1 73 73 ASN CB C 73 40.647 40.647 39.361 1.286 25700 413 1 . 1 1 73 73 ASN H H 73 7.265 7.265 7.508 -0.243 25700 414 1 . 1 1 74 74 ARG N N 74 118.937 118.937 123.002 -4.065 25700 415 1 . 1 1 74 74 ARG HA H 74 4.684 4.684 4.412 0.272 25700 416 1 . 1 1 74 74 ARG C C 74 174.943 174.943 174.177 0.766 25700 417 1 . 1 1 74 74 ARG CA C 74 54.523 54.523 54.300 0.223 25700 418 1 . 1 1 74 74 ARG CB C 74 32.331 32.331 29.631 2.700 25700 419 1 . 1 1 74 74 ARG H H 74 8.529 8.529 8.120 0.409 25700 420 1 . 1 1 75 75 TYR N N 75 122.282 122.282 124.383 -2.101 25700 421 1 . 1 1 75 75 TYR HA H 75 5.159 5.159 5.187 -0.028 25700 422 1 . 1 1 75 75 TYR C C 75 173.593 173.593 174.244 -0.651 25700 423 1 . 1 1 75 75 TYR CA C 75 57.080 57.080 56.649 0.431 25700 424 1 . 1 1 75 75 TYR CB C 75 41.202 41.202 40.655 0.547 25700 425 1 . 1 1 75 75 TYR H H 75 8.691 8.691 8.290 0.401 25700 426 1 . 1 1 76 76 ALA N N 76 122.606 122.606 124.804 -2.198 25700 427 1 . 1 1 76 76 ALA HA H 76 4.788 4.788 4.891 -0.103 25700 428 1 . 1 1 76 76 ALA C C 76 175.765 175.765 174.819 0.946 25700 429 1 . 1 1 76 76 ALA CA C 76 50.543 50.543 49.945 0.598 25700 430 1 . 1 1 76 76 ALA CB C 76 23.070 23.070 22.928 0.142 25700 431 1 . 1 1 76 76 ALA H H 76 8.688 8.688 9.285 -0.597 25700 432 1 . 1 1 77 77 ALA N N 77 119.325 119.325 120.720 -1.395 25700 433 1 . 1 1 77 77 ALA HA H 77 5.488 5.488 5.392 0.096 25700 434 1 . 1 1 77 77 ALA C C 77 174.473 174.473 175.478 -1.005 25700 435 1 . 1 1 77 77 ALA CA C 77 51.813 51.813 51.085 0.728 25700 436 1 . 1 1 77 77 ALA CB C 77 24.137 24.137 22.910 1.227 25700 437 1 . 1 1 77 77 ALA H H 77 8.584 8.584 8.207 0.377 25700 438 1 . 1 1 78 78 ARG N N 78 122.822 122.822 119.019 3.803 25700 439 1 . 1 1 78 78 ARG HA H 78 4.938 4.938 5.486 -0.548 25700 440 1 . 1 1 78 78 ARG C C 78 173.170 173.170 173.854 -0.685 25700 441 1 . 1 1 78 78 ARG CA C 78 54.890 54.890 55.183 -0.293 25700 442 1 . 1 1 78 78 ARG CB C 78 34.467 34.467 32.739 1.728 25700 443 1 . 1 1 78 78 ARG H H 78 8.807 8.807 9.162 -0.354 25700 444 1 . 1 1 79 79 LEU N N 79 130.548 130.548 126.879 3.669 25700 445 1 . 1 1 79 79 LEU HA H 79 5.440 5.440 5.304 0.136 25700 446 1 . 1 1 79 79 LEU C C 79 173.434 173.434 174.560 -1.126 25700 447 1 . 1 1 79 79 LEU CA C 79 53.186 53.186 53.358 -0.172 25700 448 1 . 1 1 79 79 LEU CB C 79 45.369 45.369 45.762 -0.393 25700 449 1 . 1 1 79 79 LEU H H 79 9.055 9.055 8.878 0.177 25700 450 1 . 1 1 80 80 ASP N N 80 125.928 125.928 127.718 -1.790 25700 451 1 . 1 1 80 80 ASP HA H 80 5.480 5.480 5.441 0.039 25700 452 1 . 1 1 80 80 ASP C C 80 175.805 175.805 175.286 0.519 25700 453 1 . 1 1 80 80 ASP CA C 80 53.794 53.794 53.296 0.498 25700 454 1 . 1 1 80 80 ASP CB C 80 44.119 44.119 43.054 1.065 25700 455 1 . 1 1 80 80 ASP H H 80 9.251 9.251 9.180 0.071 25700 456 1 . 1 1 81 81 VAL N N 81 123.295 123.295 126.846 -3.551 25700 457 1 . 1 1 81 81 VAL HA H 81 4.843 4.843 4.473 0.370 25700 458 1 . 1 1 81 81 VAL C C 81 174.136 174.136 174.601 -0.465 25700 459 1 . 1 1 81 81 VAL CA C 81 61.438 61.438 61.625 -0.187 25700 460 1 . 1 1 81 81 VAL CB C 81 35.299 35.299 32.356 2.943 25700 461 1 . 1 1 81 81 VAL H H 81 8.947 8.947 8.826 0.121 25700 462 1 . 1 1 82 82 SER N N 82 122.698 122.698 123.429 -0.731 25700 463 1 . 1 1 82 82 SER HA H 82 5.380 5.380 5.374 0.006 25700 464 1 . 1 1 82 82 SER C C 82 173.016 173.016 173.450 -0.434 25700 465 1 . 1 1 82 82 SER CA C 82 57.195 57.195 56.756 0.439 25700 466 1 . 1 1 82 82 SER CB C 82 64.477 64.477 64.436 0.041 25700 467 1 . 1 1 82 82 SER H H 82 9.026 9.026 8.738 0.288 25700 468 1 . 1 1 83 83 PHE N N 83 127.305 127.305 127.676 -0.370 25700 469 1 . 1 1 83 83 PHE HA H 83 4.781 4.781 4.867 -0.086 25700 470 1 . 1 1 83 83 PHE C C 83 174.741 174.741 175.315 -0.574 25700 471 1 . 1 1 83 83 PHE CA C 83 57.376 57.376 57.620 -0.244 25700 472 1 . 1 1 83 83 PHE CB C 83 42.094 42.094 40.832 1.262 25700 473 1 . 1 1 83 83 PHE H H 83 9.012 9.012 8.838 0.174 25700 474 1 . 1 1 84 84 GLY N N 84 117.337 117.337 116.635 0.702 25700 475 1 . 1 1 84 84 GLY C C 84 175.295 175.295 175.083 0.212 25700 476 1 . 1 1 84 84 GLY CA C 84 47.086 47.086 46.457 0.629 25700 477 1 . 1 1 84 84 GLY H H 84 8.784 8.784 8.497 0.287 25700 478 1 . 1 1 85 85 SER N N 85 120.553 120.553 119.636 0.917 25700 479 1 . 1 1 85 85 SER HA H 85 4.383 4.383 4.457 -0.074 25700 480 1 . 1 1 85 85 SER C C 85 173.796 173.796 174.754 -0.958 25700 481 1 . 1 1 85 85 SER CA C 85 59.095 59.095 58.400 0.695 25700 482 1 . 1 1 85 85 SER CB C 85 63.360 63.360 64.138 -0.778 25700 483 1 . 1 1 85 85 SER H H 85 8.687 8.687 8.400 0.287 25700 484 1 . 1 1 86 86 VAL N N 86 121.297 121.297 123.214 -1.917 25700 485 1 . 1 1 86 86 VAL HA H 86 4.504 4.504 4.270 0.234 25700 486 1 . 1 1 86 86 VAL C C 86 174.888 174.888 173.957 0.931 25700 487 1 . 1 1 86 86 VAL CA C 86 61.610 61.610 61.787 -0.177 25700 488 1 . 1 1 86 86 VAL CB C 86 34.210 34.210 33.266 0.944 25700 489 1 . 1 1 86 86 VAL H H 86 7.963 7.963 7.498 0.465 25700 490 1 . 1 1 87 87 THR N N 87 119.631 119.631 124.125 -4.494 25700 491 1 . 1 1 87 87 THR HA H 87 5.551 5.551 5.448 0.103 25700 492 1 . 1 1 87 87 THR C C 87 174.271 174.271 173.501 0.770 25700 493 1 . 1 1 87 87 THR CA C 87 60.550 60.550 61.603 -1.053 25700 494 1 . 1 1 87 87 THR CB C 87 71.350 71.350 69.904 1.446 25700 495 1 . 1 1 87 87 THR H H 87 8.302 8.302 8.419 -0.117 25700 496 1 . 1 1 88 88 ILE N N 88 118.811 118.811 121.999 -3.188 25700 497 1 . 1 1 88 88 ILE HA H 88 4.858 4.858 4.790 0.068 25700 498 1 . 1 1 88 88 ILE C C 88 174.300 174.300 173.224 1.076 25700 499 1 . 1 1 88 88 ILE CA C 88 59.380 59.380 59.198 0.182 25700 500 1 . 1 1 88 88 ILE CB C 88 43.170 43.170 42.073 1.097 25700 501 1 . 1 1 88 88 ILE H H 88 8.986 8.986 8.788 0.198 25700 502 1 . 1 1 89 89 GLN N N 89 120.806 120.806 118.876 1.930 25700 503 1 . 1 1 89 89 GLN HA H 89 5.814 5.814 5.659 0.155 25700 504 1 . 1 1 89 89 GLN C C 89 175.021 175.021 174.576 0.445 25700 505 1 . 1 1 89 89 GLN CA C 89 54.171 54.171 54.452 -0.281 25700 506 1 . 1 1 89 89 GLN CB C 89 34.262 34.262 32.643 1.619 25700 507 1 . 1 1 89 89 GLN H H 89 8.481 8.481 8.274 0.207 25700 508 1 . 1 1 90 90 CYS N N 90 118.531 118.531 118.306 0.225 25700 509 1 . 1 1 90 90 CYS HA H 90 5.010 5.010 4.924 0.086 25700 510 1 . 1 1 90 90 CYS C C 90 172.402 172.402 172.888 -0.486 25700 511 1 . 1 1 90 90 CYS CA C 90 54.874 54.874 57.009 -2.135 25700 512 1 . 1 1 90 90 CYS CB C 90 50.267 50.267 31.243 19.024 25700 513 1 . 1 1 90 90 CYS H H 90 9.151 9.151 8.869 0.282 25700 514 1 . 1 1 91 91 ASN N N 91 116.449 116.449 118.527 -2.078 25700 515 1 . 1 1 91 91 ASN HA H 91 5.615 5.615 5.517 0.098 25700 516 1 . 1 1 91 91 ASN C C 91 174.994 174.994 173.991 1.003 25700 517 1 . 1 1 91 91 ASN CA C 91 52.484 52.484 52.290 0.194 25700 518 1 . 1 1 91 91 ASN CB C 91 43.331 43.331 41.465 1.866 25700 519 1 . 1 1 91 91 ASN H H 91 8.791 8.791 8.309 0.482 25700 520 1 . 1 1 92 92 LEU N N 92 123.391 123.391 123.215 0.176 25700 521 1 . 1 1 92 92 LEU HA H 92 4.286 4.286 4.432 -0.146 25700 522 1 . 1 1 92 92 LEU C C 92 176.188 176.188 176.330 -0.142 25700 523 1 . 1 1 92 92 LEU CA C 92 54.863 54.863 54.870 -0.007 25700 524 1 . 1 1 92 92 LEU CB C 92 45.064 45.064 43.327 1.737 25700 525 1 . 1 1 92 92 LEU H H 92 8.597 8.597 8.732 -0.135 25700 526 1 . 1 1 93 93 ASP N N 93 129.020 129.020 127.648 1.372 25700 527 1 . 1 1 93 93 ASP HA H 93 5.160 5.160 4.937 0.223 25700 528 1 . 1 1 93 93 ASP C C 93 175.761 175.761 175.630 0.131 25700 529 1 . 1 1 93 93 ASP CA C 93 50.948 50.948 51.852 -0.904 25700 530 1 . 1 1 93 93 ASP CB C 93 41.136 41.136 41.803 -0.667 25700 531 1 . 1 1 93 93 ASP H H 93 9.146 9.146 8.664 0.482 25700 532 1 . 1 1 94 94 PRO HA H 94 4.304 4.304 4.644 -0.340 25700 533 1 . 1 1 94 94 PRO C C 94 178.637 178.637 178.055 0.582 25700 534 1 . 1 1 94 94 PRO CA C 94 64.830 64.830 64.763 0.067 25700 535 1 . 1 1 94 94 PRO CB C 94 32.579 32.579 32.136 0.443 25700 536 1 . 1 1 95 95 GLU N N 95 116.747 116.747 116.349 0.398 25700 537 1 . 1 1 95 95 GLU HA H 95 4.223 4.223 4.248 -0.025 25700 538 1 . 1 1 95 95 GLU C C 95 177.994 177.994 177.359 0.635 25700 539 1 . 1 1 95 95 GLU CA C 95 57.773 57.773 57.677 0.097 25700 540 1 . 1 1 95 95 GLU CB C 95 29.084 29.084 29.054 0.030 25700 541 1 . 1 1 95 95 GLU H H 95 8.358 8.358 8.509 -0.151 25700 542 1 . 1 1 96 96 THR N N 96 109.182 109.182 109.233 -0.051 25700 543 1 . 1 1 96 96 THR HA H 96 4.169 4.169 4.465 -0.296 25700 544 1 . 1 1 96 96 THR C C 96 175.238 175.238 175.666 -0.428 25700 545 1 . 1 1 96 96 THR CA C 96 63.038 63.038 63.000 0.038 25700 546 1 . 1 1 96 96 THR CB C 96 69.640 69.640 69.714 -0.074 25700 547 1 . 1 1 96 96 THR H H 96 7.951 7.951 8.036 -0.085 25700 548 1 . 1 1 97 97 VAL N N 97 121.118 121.118 121.335 -0.217 25700 549 1 . 1 1 97 97 VAL HA H 97 3.770 3.770 3.834 -0.064 25700 550 1 . 1 1 97 97 VAL C C 97 174.851 174.851 176.165 -1.314 25700 551 1 . 1 1 97 97 VAL CA C 97 63.272 63.272 64.599 -1.327 25700 552 1 . 1 1 97 97 VAL CB C 97 30.627 30.627 31.338 -0.711 25700 553 1 . 1 1 97 97 VAL H H 97 7.175 7.175 7.400 -0.225 25700 554 1 . 1 1 98 98 LYS N N 98 123.245 123.245 121.074 2.171 25700 555 1 . 1 1 98 98 LYS HA H 98 4.385 4.385 4.297 0.088 25700 556 1 . 1 1 98 98 LYS C C 98 175.612 175.612 176.057 -0.445 25700 557 1 . 1 1 98 98 LYS CA C 98 55.812 55.812 56.425 -0.613 25700 558 1 . 1 1 98 98 LYS CB C 98 33.804 33.804 30.475 3.329 25700 559 1 . 1 1 98 98 LYS H H 98 7.712 7.712 8.043 -0.331 25700 560 1 . 1 1 99 99 LEU N N 99 122.457 122.457 118.717 3.740 25700 561 1 . 1 1 99 99 LEU HA H 99 4.123 4.123 3.820 0.303 25700 562 1 . 1 1 99 99 LEU C C 99 177.160 177.160 176.301 0.859 25700 563 1 . 1 1 99 99 LEU CA C 99 55.309 55.309 56.446 -1.137 25700 564 1 . 1 1 99 99 LEU CB C 99 42.319 42.319 39.700 2.619 25700 565 1 . 1 1 99 99 LEU H H 99 8.110 8.110 8.777 -0.667 25700 566 1 . 1 1 100 100 GLU N N 100 120.800 120.800 118.085 2.715 25700 567 1 . 1 1 100 100 GLU HA H 100 4.151 4.151 4.244 -0.093 25700 568 1 . 1 1 100 100 GLU C C 100 176.070 176.070 175.466 0.604 25700 569 1 . 1 1 100 100 GLU CA C 100 56.740 56.740 56.415 0.325 25700 570 1 . 1 1 100 100 GLU CB C 100 30.060 30.060 31.041 -0.981 25700 571 1 . 1 1 100 100 GLU H H 100 8.340 8.340 8.111 0.229 25700 stop_ save_