data_18282 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18282 _Entry.PDB_ID 2LPY 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 18282 _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 GLN N N 3 122.228 122.228 120.377 1.851 18282 2 1 1 . 1 1 2 2 GLN HA H 3 3.896 3.896 4.142 -0.246 18282 3 1 1 . 1 1 2 2 GLN C C 3 178.672 178.672 178.207 0.465 18282 4 1 1 . 1 1 2 2 GLN CA C 3 58.794 58.794 57.613 1.181 18282 5 1 1 . 1 1 2 2 GLN H H 3 9.310 9.310 8.486 0.824 18282 6 1 1 . 1 1 3 3 GLU N N 4 119.529 119.529 120.653 -1.124 18282 7 1 1 . 1 1 3 3 GLU C C 4 175.504 175.504 178.570 -3.066 18282 8 1 1 . 1 1 3 3 GLU CA C 4 59.561 59.561 58.649 0.912 18282 9 1 1 . 1 1 3 3 GLU CB C 4 28.876 28.876 29.050 -0.174 18282 10 1 1 . 1 1 3 3 GLU H H 4 8.489 8.489 8.692 -0.203 18282 11 1 1 . 1 1 4 4 LEU N N 5 114.832 114.832 121.484 -6.652 18282 12 1 1 . 1 1 4 4 LEU HA H 5 3.716 3.716 3.961 -0.245 18282 13 1 1 . 1 1 4 4 LEU C C 5 178.276 178.276 177.901 0.375 18282 14 1 1 . 1 1 4 4 LEU CA C 5 57.813 57.813 57.765 0.048 18282 15 1 1 . 1 1 4 4 LEU CB C 5 40.844 40.844 41.797 -0.953 18282 16 1 1 . 1 1 4 4 LEU H H 5 8.210 8.210 8.078 0.132 18282 17 1 1 . 1 1 5 5 SER N N 6 109.726 109.726 114.576 -4.850 18282 18 1 1 . 1 1 5 5 SER HA H 6 4.127 4.127 4.072 0.055 18282 19 1 1 . 1 1 5 5 SER C C 6 178.508 178.508 177.166 1.342 18282 20 1 1 . 1 1 5 5 SER CA C 6 60.401 60.401 61.660 -1.259 18282 21 1 1 . 1 1 5 5 SER CB C 6 63.535 63.535 62.309 1.226 18282 22 1 1 . 1 1 5 5 SER H H 6 8.247 8.247 8.001 0.246 18282 23 1 1 . 1 1 6 6 GLN N N 7 117.203 117.203 120.526 -3.323 18282 24 1 1 . 1 1 6 6 GLN HA H 7 4.026 4.026 4.067 -0.041 18282 25 1 1 . 1 1 6 6 GLN CA C 7 58.474 58.474 58.621 -0.147 18282 26 1 1 . 1 1 6 6 GLN H H 7 8.719 8.719 8.811 -0.092 18282 27 1 1 . 1 1 7 7 HIS C C 8 178.622 178.622 177.463 1.159 18282 28 1 1 . 1 1 8 8 GLU N N 9 120.357 120.357 118.966 1.391 18282 29 1 1 . 1 1 8 8 GLU HA H 9 3.969 3.969 4.095 -0.126 18282 30 1 1 . 1 1 8 8 GLU C C 9 178.408 178.408 179.265 -0.857 18282 31 1 1 . 1 1 8 8 GLU CA C 9 58.244 58.244 59.596 -1.352 18282 32 1 1 . 1 1 8 8 GLU CB C 9 29.013 29.013 29.518 -0.505 18282 33 1 1 . 1 1 8 8 GLU H H 9 7.701 7.701 7.898 -0.197 18282 34 1 1 . 1 1 9 9 ARG N N 10 118.791 118.791 118.122 0.669 18282 35 1 1 . 1 1 9 9 ARG HA H 10 4.124 4.124 4.095 0.029 18282 36 1 1 . 1 1 9 9 ARG C C 10 178.599 178.599 178.418 0.181 18282 37 1 1 . 1 1 9 9 ARG CA C 10 58.633 58.633 58.079 0.554 18282 38 1 1 . 1 1 9 9 ARG CB C 10 29.005 29.005 29.724 -0.719 18282 39 1 1 . 1 1 9 9 ARG H H 10 8.910 8.910 7.740 1.170 18282 40 1 1 . 1 1 10 10 TYR N N 11 121.239 121.239 120.761 0.478 18282 41 1 1 . 1 1 10 10 TYR HA H 11 4.186 4.186 4.123 0.063 18282 42 1 1 . 1 1 10 10 TYR C C 11 176.644 176.644 177.839 -1.195 18282 43 1 1 . 1 1 10 10 TYR CA C 11 61.311 61.311 61.952 -0.641 18282 44 1 1 . 1 1 10 10 TYR CB C 11 37.956 37.956 37.961 -0.005 18282 45 1 1 . 1 1 10 10 TYR H H 11 7.562 7.562 8.188 -0.626 18282 46 1 1 . 1 1 11 11 VAL N N 12 119.249 119.249 118.658 0.591 18282 47 1 1 . 1 1 11 11 VAL HA H 12 3.119 3.119 3.531 -0.412 18282 48 1 1 . 1 1 11 11 VAL C C 12 177.275 177.275 178.032 -0.757 18282 49 1 1 . 1 1 11 11 VAL CA C 12 66.925 66.925 66.064 0.861 18282 50 1 1 . 1 1 11 11 VAL CB C 12 30.981 30.981 31.716 -0.735 18282 51 1 1 . 1 1 11 11 VAL H H 12 8.087 8.087 7.491 0.596 18282 52 1 1 . 1 1 12 12 GLU N N 13 119.569 119.569 118.638 0.931 18282 53 1 1 . 1 1 12 12 GLU HA H 13 4.213 4.213 3.933 0.280 18282 54 1 1 . 1 1 12 12 GLU C C 13 175.207 175.207 178.760 -3.553 18282 55 1 1 . 1 1 12 12 GLU CA C 13 55.971 55.971 59.353 -3.382 18282 56 1 1 . 1 1 12 12 GLU CB C 13 28.439 28.439 29.620 -1.181 18282 57 1 1 . 1 1 12 12 GLU H H 13 8.312 8.312 7.524 0.787 18282 58 1 1 . 1 1 13 13 GLN N N 14 119.375 119.375 120.377 -1.002 18282 59 1 1 . 1 1 13 13 GLN HA H 14 3.657 3.657 4.139 -0.482 18282 60 1 1 . 1 1 13 13 GLN CA C 14 54.294 54.294 58.528 -4.234 18282 61 1 1 . 1 1 13 13 GLN CB C 14 29.681 29.681 28.295 1.386 18282 62 1 1 . 1 1 13 13 GLN H H 14 7.690 7.690 8.765 -1.075 18282 63 1 1 . 1 1 14 14 LEU HA H 15 3.865 3.865 3.737 0.128 18282 64 1 1 . 1 1 14 14 LEU CA C 15 58.177 58.177 57.307 0.870 18282 65 1 1 . 1 1 14 14 LEU CB C 15 40.693 40.693 40.611 0.082 18282 66 1 1 . 1 1 15 15 LYS HA H 16 3.737 3.737 3.808 -0.071 18282 67 1 1 . 1 1 15 15 LYS C C 16 177.817 177.817 179.502 -1.685 18282 68 1 1 . 1 1 15 15 LYS CA C 16 60.352 60.352 59.422 0.930 18282 69 1 1 . 1 1 15 15 LYS CB C 16 32.106 32.106 32.074 0.032 18282 70 1 1 . 1 1 16 16 GLN N N 17 117.498 117.498 118.448 -0.950 18282 71 1 1 . 1 1 16 16 GLN HA H 17 3.864 3.864 4.005 -0.141 18282 72 1 1 . 1 1 16 16 GLN CA C 17 58.307 58.307 58.445 -0.138 18282 73 1 1 . 1 1 16 16 GLN CB C 17 27.788 27.788 28.587 -0.799 18282 74 1 1 . 1 1 16 16 GLN H H 17 7.862 7.862 8.018 -0.156 18282 75 1 1 . 1 1 17 17 ALA HA H 18 3.793 3.793 3.948 -0.155 18282 76 1 1 . 1 1 17 17 ALA C C 18 179.147 179.147 179.157 -0.010 18282 77 1 1 . 1 1 17 17 ALA CA C 18 54.792 54.792 54.889 -0.097 18282 78 1 1 . 1 1 17 17 ALA CB C 18 17.693 17.693 18.332 -0.639 18282 79 1 1 . 1 1 18 18 LEU N N 19 117.278 117.278 117.056 0.222 18282 80 1 1 . 1 1 18 18 LEU HA H 19 3.784 3.784 3.804 -0.020 18282 81 1 1 . 1 1 18 18 LEU C C 19 174.935 174.935 178.646 -3.711 18282 82 1 1 . 1 1 18 18 LEU CA C 19 57.731 57.731 56.883 0.848 18282 83 1 1 . 1 1 18 18 LEU CB C 19 40.703 40.703 41.394 -0.691 18282 84 1 1 . 1 1 18 18 LEU H H 19 8.168 8.168 7.601 0.567 18282 85 1 1 . 1 1 19 19 LYS N N 20 118.025 118.025 120.535 -2.510 18282 86 1 1 . 1 1 19 19 LYS C C 20 177.982 177.982 179.320 -1.338 18282 87 1 1 . 1 1 19 19 LYS CA C 20 60.439 60.439 59.310 1.129 18282 88 1 1 . 1 1 19 19 LYS H H 20 8.345 8.345 7.548 0.797 18282 89 1 1 . 1 1 20 20 THR N N 21 116.345 116.345 112.325 4.020 18282 90 1 1 . 1 1 20 20 THR HA H 21 4.126 4.126 4.182 -0.056 18282 91 1 1 . 1 1 20 20 THR C C 21 175.469 175.469 175.848 -0.379 18282 92 1 1 . 1 1 20 20 THR CA C 21 64.643 64.643 63.538 1.105 18282 93 1 1 . 1 1 20 20 THR CB C 21 68.652 68.652 68.575 0.077 18282 94 1 1 . 1 1 20 20 THR H H 21 7.896 7.896 7.681 0.215 18282 95 1 1 . 1 1 21 21 ARG N N 22 118.792 118.792 119.017 -0.225 18282 96 1 1 . 1 1 21 21 ARG HA H 22 4.375 4.375 4.310 0.065 18282 97 1 1 . 1 1 21 21 ARG C C 22 176.364 176.364 177.118 -0.754 18282 98 1 1 . 1 1 21 21 ARG CA C 22 54.157 54.157 55.183 -1.026 18282 99 1 1 . 1 1 21 21 ARG CB C 22 29.453 29.453 29.997 -0.544 18282 100 1 1 . 1 1 21 21 ARG H H 22 7.317 7.317 7.609 -0.291 18282 101 1 1 . 1 1 22 22 GLY N N 23 108.428 108.428 106.902 1.526 18282 102 1 1 . 1 1 22 22 GLY C C 23 174.154 174.154 174.198 -0.044 18282 103 1 1 . 1 1 22 22 GLY CA C 23 45.953 45.953 44.942 1.011 18282 104 1 1 . 1 1 22 22 GLY H H 23 7.881 7.881 7.539 0.342 18282 105 1 1 . 1 1 23 23 VAL N N 24 117.319 117.319 119.538 -2.219 18282 106 1 1 . 1 1 23 23 VAL HA H 24 4.036 4.036 4.303 -0.267 18282 107 1 1 . 1 1 23 23 VAL C C 24 175.601 175.601 175.301 0.300 18282 108 1 1 . 1 1 23 23 VAL CA C 24 61.635 61.635 60.094 1.541 18282 109 1 1 . 1 1 23 23 VAL CB C 24 32.589 32.589 33.750 -1.161 18282 110 1 1 . 1 1 23 23 VAL H H 24 7.431 7.431 7.449 -0.018 18282 111 1 1 . 1 1 24 24 LYS N N 25 127.424 127.424 122.883 4.541 18282 112 1 1 . 1 1 24 24 LYS HA H 25 4.336 4.336 4.784 -0.448 18282 113 1 1 . 1 1 24 24 LYS C C 25 175.550 175.550 175.049 0.501 18282 114 1 1 . 1 1 24 24 LYS CA C 25 55.811 55.811 55.363 0.448 18282 115 1 1 . 1 1 24 24 LYS CB C 25 32.269 32.269 33.837 -1.568 18282 116 1 1 . 1 1 24 24 LYS H H 25 8.665 8.665 8.373 0.292 18282 117 1 1 . 1 1 25 25 VAL N N 26 120.764 120.764 118.913 1.851 18282 118 1 1 . 1 1 25 25 VAL HA H 26 4.140 4.140 4.452 -0.312 18282 119 1 1 . 1 1 25 25 VAL C C 26 174.206 174.206 175.067 -0.861 18282 120 1 1 . 1 1 25 25 VAL CA C 26 60.316 60.316 61.198 -0.882 18282 121 1 1 . 1 1 25 25 VAL CB C 26 33.920 33.920 31.751 2.169 18282 122 1 1 . 1 1 25 25 VAL H H 26 7.545 7.545 8.349 -0.804 18282 123 1 1 . 1 1 26 26 LYS N N 27 125.707 125.707 126.356 -0.649 18282 124 1 1 . 1 1 26 26 LYS HA H 27 4.115 4.115 4.614 -0.499 18282 125 1 1 . 1 1 26 26 LYS CA C 27 55.211 55.211 54.669 0.542 18282 126 1 1 . 1 1 26 26 LYS CB C 27 31.930 31.930 34.454 -2.524 18282 127 1 1 . 1 1 26 26 LYS H H 27 8.608 8.608 7.929 0.679 18282 128 1 1 . 1 1 27 27 TYR CA C 28 56.418 56.418 61.228 -4.810 18282 129 1 1 . 1 1 27 27 TYR CB C 28 37.036 37.036 37.590 -0.554 18282 130 1 1 . 1 1 28 28 ALA N N 29 120.712 120.712 119.593 1.119 18282 131 1 1 . 1 1 28 28 ALA HA H 29 3.712 3.712 3.867 -0.155 18282 132 1 1 . 1 1 28 28 ALA C C 29 180.210 180.210 179.518 0.692 18282 133 1 1 . 1 1 28 28 ALA CA C 29 54.911 54.911 54.549 0.362 18282 134 1 1 . 1 1 28 28 ALA CB C 29 18.034 18.034 17.314 0.720 18282 135 1 1 . 1 1 28 28 ALA H H 29 8.326 8.326 8.428 -0.102 18282 136 1 1 . 1 1 29 29 ASP N N 30 117.166 117.166 119.244 -2.078 18282 137 1 1 . 1 1 29 29 ASP HA H 30 4.379 4.379 4.367 0.012 18282 138 1 1 . 1 1 29 29 ASP C C 30 178.427 178.427 178.290 0.137 18282 139 1 1 . 1 1 29 29 ASP CA C 30 56.459 56.459 56.987 -0.528 18282 140 1 1 . 1 1 29 29 ASP CB C 30 39.962 39.962 40.633 -0.671 18282 141 1 1 . 1 1 29 29 ASP H H 30 6.913 6.913 8.449 -1.536 18282 142 1 1 . 1 1 30 30 LEU N N 31 123.105 123.105 120.058 3.047 18282 143 1 1 . 1 1 30 30 LEU HA H 31 3.491 3.491 4.172 -0.681 18282 144 1 1 . 1 1 30 30 LEU CA C 31 56.841 56.841 57.953 -1.112 18282 145 1 1 . 1 1 30 30 LEU CB C 31 40.888 40.888 41.967 -1.079 18282 146 1 1 . 1 1 30 30 LEU H H 31 7.543 7.543 7.383 0.160 18282 147 1 1 . 1 1 31 31 LEU HA H 32 3.611 3.611 3.791 -0.180 18282 148 1 1 . 1 1 31 31 LEU C C 32 179.120 179.120 179.334 -0.214 18282 149 1 1 . 1 1 31 31 LEU CA C 32 58.103 58.103 58.053 0.050 18282 150 1 1 . 1 1 31 31 LEU CB C 32 40.594 40.594 40.992 -0.398 18282 151 1 1 . 1 1 32 32 LYS N N 33 118.074 118.074 118.820 -0.746 18282 152 1 1 . 1 1 32 32 LYS HA H 33 4.202 4.202 4.016 0.186 18282 153 1 1 . 1 1 32 32 LYS C C 33 180.044 180.044 178.515 1.529 18282 154 1 1 . 1 1 32 32 LYS CA C 33 59.081 59.081 59.041 0.040 18282 155 1 1 . 1 1 32 32 LYS CB C 33 31.735 31.735 32.492 -0.757 18282 156 1 1 . 1 1 32 32 LYS H H 33 7.189 7.189 7.818 -0.629 18282 157 1 1 . 1 1 33 33 PHE N N 34 122.977 122.977 120.692 2.285 18282 158 1 1 . 1 1 33 33 PHE CA C 34 60.402 60.402 61.737 -1.335 18282 159 1 1 . 1 1 33 33 PHE H H 34 7.768 7.768 8.647 -0.879 18282 160 1 1 . 1 1 34 34 PHE HA H 35 3.800 3.800 4.054 -0.254 18282 161 1 1 . 1 1 34 34 PHE C C 35 176.355 176.355 177.161 -0.806 18282 162 1 1 . 1 1 34 34 PHE CA C 35 61.813 61.813 62.173 -0.360 18282 163 1 1 . 1 1 34 34 PHE CB C 35 37.164 37.164 39.087 -1.923 18282 164 1 1 . 1 1 35 35 ASP N N 36 119.969 119.969 119.928 0.041 18282 165 1 1 . 1 1 35 35 ASP C C 36 177.087 177.087 179.008 -1.921 18282 166 1 1 . 1 1 35 35 ASP CA C 36 58.278 58.278 57.438 0.840 18282 167 1 1 . 1 1 35 35 ASP CB C 36 39.578 39.578 40.417 -0.840 18282 168 1 1 . 1 1 35 35 ASP H H 36 8.338 8.338 7.895 0.443 18282 169 1 1 . 1 1 36 36 PHE N N 37 122.901 122.901 119.762 3.139 18282 170 1 1 . 1 1 36 36 PHE C C 37 178.788 178.788 177.545 1.243 18282 171 1 1 . 1 1 36 36 PHE CA C 37 61.416 61.416 60.705 0.711 18282 172 1 1 . 1 1 36 36 PHE CB C 37 38.369 38.369 38.489 -0.120 18282 173 1 1 . 1 1 36 36 PHE H H 37 7.860 7.860 8.502 -0.642 18282 174 1 1 . 1 1 37 37 VAL N N 38 122.329 122.329 114.767 7.562 18282 175 1 1 . 1 1 37 37 VAL HA H 38 3.100 3.100 3.576 -0.476 18282 176 1 1 . 1 1 37 37 VAL C C 38 176.147 176.147 177.926 -1.779 18282 177 1 1 . 1 1 37 37 VAL CA C 38 67.153 67.153 65.641 1.512 18282 178 1 1 . 1 1 37 37 VAL CB C 38 30.625 30.625 31.518 -0.893 18282 179 1 1 . 1 1 37 37 VAL H H 38 8.451 8.451 8.002 0.449 18282 180 1 1 . 1 1 38 38 LYS N N 39 118.837 118.837 118.426 0.411 18282 181 1 1 . 1 1 38 38 LYS HA H 39 3.473 3.473 3.919 -0.446 18282 182 1 1 . 1 1 38 38 LYS C C 39 176.361 176.361 178.395 -2.034 18282 183 1 1 . 1 1 38 38 LYS CA C 39 59.519 59.519 58.589 0.930 18282 184 1 1 . 1 1 38 38 LYS CB C 39 31.628 31.628 31.614 0.014 18282 185 1 1 . 1 1 38 38 LYS H H 39 7.581 7.581 7.648 -0.067 18282 186 1 1 . 1 1 39 39 ASP N N 40 116.210 116.210 118.518 -2.308 18282 187 1 1 . 1 1 39 39 ASP HA H 40 4.261 4.261 4.440 -0.179 18282 188 1 1 . 1 1 39 39 ASP CA C 40 56.580 56.580 56.626 -0.046 18282 189 1 1 . 1 1 39 39 ASP CB C 40 40.977 40.977 41.165 -0.188 18282 190 1 1 . 1 1 39 39 ASP H H 40 8.052 8.052 7.996 0.056 18282 191 1 1 . 1 1 40 40 THR N N 41 109.215 109.215 107.667 1.548 18282 192 1 1 . 1 1 40 40 THR C C 41 174.559 174.559 174.448 0.111 18282 193 1 1 . 1 1 40 40 THR H H 41 7.232 7.232 7.621 -0.389 18282 194 1 1 . 1 1 41 41 CYS N N 42 117.927 117.927 120.647 -2.720 18282 195 1 1 . 1 1 41 41 CYS CA C 42 55.865 55.865 58.169 -2.304 18282 196 1 1 . 1 1 41 41 CYS CB C 42 28.500 28.500 25.417 3.083 18282 197 1 1 . 1 1 41 41 CYS H H 42 7.197 7.197 8.281 -1.084 18282 198 1 1 . 1 1 42 42 PRO HA H 43 3.987 3.987 4.005 -0.018 18282 199 1 1 . 1 1 42 42 PRO C C 43 176.688 176.688 176.564 0.124 18282 200 1 1 . 1 1 42 42 PRO CA C 43 65.206 65.206 64.214 0.992 18282 201 1 1 . 1 1 42 42 PRO CB C 43 30.767 30.767 31.692 -0.925 18282 202 1 1 . 1 1 43 43 TRP N N 44 113.805 113.805 116.972 -3.167 18282 203 1 1 . 1 1 43 43 TRP HA H 44 4.361 4.361 4.394 -0.033 18282 204 1 1 . 1 1 43 43 TRP C C 44 176.982 176.982 175.015 1.967 18282 205 1 1 . 1 1 43 43 TRP CA C 44 61.758 61.758 57.450 4.308 18282 206 1 1 . 1 1 43 43 TRP CB C 44 27.771 27.771 28.872 -1.101 18282 207 1 1 . 1 1 43 43 TRP H H 44 6.632 6.632 7.769 -1.137 18282 208 1 1 . 1 1 44 44 PHE N N 45 123.019 123.019 113.491 9.528 18282 209 1 1 . 1 1 44 44 PHE HA H 45 4.043 4.043 4.186 -0.143 18282 210 1 1 . 1 1 44 44 PHE CA C 45 62.990 62.990 57.627 5.363 18282 211 1 1 . 1 1 44 44 PHE CB C 45 35.109 35.109 36.086 -0.977 18282 212 1 1 . 1 1 44 44 PHE H H 45 7.302 7.302 6.899 0.403 18282 213 1 1 . 1 1 45 45 PRO HA H 46 4.015 4.015 4.155 -0.140 18282 214 1 1 . 1 1 45 45 PRO C C 46 176.462 176.462 176.902 -0.440 18282 215 1 1 . 1 1 45 45 PRO CA C 46 64.582 64.582 64.277 0.305 18282 216 1 1 . 1 1 45 45 PRO CB C 46 30.254 30.254 31.317 -1.063 18282 217 1 1 . 1 1 46 46 GLN N N 47 114.404 114.404 117.937 -3.533 18282 218 1 1 . 1 1 46 46 GLN HA H 47 3.941 3.941 4.068 -0.127 18282 219 1 1 . 1 1 46 46 GLN C C 47 177.234 177.234 177.176 0.058 18282 220 1 1 . 1 1 46 46 GLN CA C 47 58.328 58.328 58.294 0.034 18282 221 1 1 . 1 1 46 46 GLN CB C 47 28.471 28.471 27.947 0.524 18282 222 1 1 . 1 1 46 46 GLN H H 47 6.544 6.544 8.345 -1.801 18282 223 1 1 . 1 1 47 47 GLU N N 48 117.356 117.356 117.290 0.066 18282 224 1 1 . 1 1 47 47 GLU HA H 48 4.085 4.085 4.325 -0.240 18282 225 1 1 . 1 1 47 47 GLU C C 48 179.130 179.130 176.542 2.588 18282 226 1 1 . 1 1 47 47 GLU CA C 48 58.215 58.215 56.197 2.018 18282 227 1 1 . 1 1 47 47 GLU CB C 48 29.247 29.247 30.845 -1.598 18282 228 1 1 . 1 1 47 47 GLU H H 48 7.710 7.710 7.698 0.012 18282 229 1 1 . 1 1 48 48 GLY N N 49 105.456 105.456 108.152 -2.696 18282 230 1 1 . 1 1 48 48 GLY C C 49 171.006 171.006 173.843 -2.837 18282 231 1 1 . 1 1 48 48 GLY CA C 49 47.085 47.085 45.665 1.420 18282 232 1 1 . 1 1 48 48 GLY H H 49 7.296 7.296 7.552 -0.256 18282 233 1 1 . 1 1 49 49 THR N N 50 114.015 114.015 114.492 -0.477 18282 234 1 1 . 1 1 49 49 THR HA H 50 4.248 4.248 4.521 -0.273 18282 235 1 1 . 1 1 49 49 THR CA C 50 61.830 61.830 59.609 2.221 18282 236 1 1 . 1 1 49 49 THR CB C 50 70.692 70.692 71.364 -0.672 18282 237 1 1 . 1 1 49 49 THR H H 50 7.599 7.599 7.760 -0.161 18282 238 1 1 . 1 1 50 50 ILE HA H 51 4.135 4.135 4.354 -0.219 18282 239 1 1 . 1 1 50 50 ILE C C 51 172.608 172.608 174.760 -2.152 18282 240 1 1 . 1 1 50 50 ILE CA C 51 59.075 59.075 60.334 -1.259 18282 241 1 1 . 1 1 50 50 ILE CB C 51 35.416 35.416 39.118 -3.702 18282 242 1 1 . 1 1 51 51 ASP N N 52 121.859 121.859 125.398 -3.539 18282 243 1 1 . 1 1 51 51 ASP HA H 52 4.625 4.625 4.994 -0.369 18282 244 1 1 . 1 1 51 51 ASP C C 52 175.770 175.770 175.622 0.148 18282 245 1 1 . 1 1 51 51 ASP CA C 52 51.634 51.634 53.104 -1.470 18282 246 1 1 . 1 1 51 51 ASP CB C 52 42.528 42.528 43.246 -0.718 18282 247 1 1 . 1 1 51 51 ASP H H 52 7.176 7.176 9.397 -2.221 18282 248 1 1 . 1 1 52 52 ILE N N 53 119.549 119.549 125.286 -5.737 18282 249 1 1 . 1 1 52 52 ILE HA H 53 4.150 4.150 4.318 -0.168 18282 250 1 1 . 1 1 52 52 ILE C C 53 176.961 176.961 177.746 -0.785 18282 251 1 1 . 1 1 52 52 ILE CA C 53 61.899 61.899 62.917 -1.018 18282 252 1 1 . 1 1 52 52 ILE CB C 53 37.700 37.700 38.365 -0.665 18282 253 1 1 . 1 1 52 52 ILE H H 53 8.777 8.777 8.836 -0.059 18282 254 1 1 . 1 1 53 53 LYS N N 54 123.515 123.515 121.928 1.587 18282 255 1 1 . 1 1 53 53 LYS HA H 54 4.116 4.116 4.058 0.058 18282 256 1 1 . 1 1 53 53 LYS C C 54 180.448 180.448 179.131 1.317 18282 257 1 1 . 1 1 53 53 LYS CA C 54 59.934 59.934 59.702 0.232 18282 258 1 1 . 1 1 53 53 LYS CB C 54 31.875 31.875 32.336 -0.461 18282 259 1 1 . 1 1 53 53 LYS H H 54 8.106 8.106 8.098 0.008 18282 260 1 1 . 1 1 54 54 ARG N N 55 120.371 120.371 117.910 2.461 18282 261 1 1 . 1 1 54 54 ARG HA H 55 4.422 4.422 4.007 0.415 18282 262 1 1 . 1 1 54 54 ARG C C 55 179.159 179.159 177.832 1.327 18282 263 1 1 . 1 1 54 54 ARG CA C 55 59.726 59.726 58.711 1.015 18282 264 1 1 . 1 1 54 54 ARG CB C 55 37.368 37.368 29.482 7.886 18282 265 1 1 . 1 1 54 54 ARG H H 55 9.183 9.183 9.284 -0.101 18282 266 1 1 . 1 1 55 55 TRP N N 56 120.755 120.755 120.704 0.051 18282 267 1 1 . 1 1 55 55 TRP HA H 56 4.747 4.747 3.800 0.947 18282 268 1 1 . 1 1 55 55 TRP C C 56 179.954 179.954 177.286 2.668 18282 269 1 1 . 1 1 55 55 TRP CA C 56 60.105 60.105 59.691 0.414 18282 270 1 1 . 1 1 55 55 TRP CB C 56 29.997 29.997 29.171 0.826 18282 271 1 1 . 1 1 55 55 TRP H H 56 8.927 8.927 7.816 1.111 18282 272 1 1 . 1 1 56 56 ARG N N 57 122.194 122.194 117.882 4.312 18282 273 1 1 . 1 1 56 56 ARG HA H 57 4.406 4.406 3.490 0.916 18282 274 1 1 . 1 1 56 56 ARG C C 57 178.101 178.101 178.259 -0.158 18282 275 1 1 . 1 1 56 56 ARG CA C 57 60.198 60.198 59.305 0.893 18282 276 1 1 . 1 1 56 56 ARG CB C 57 29.585 29.585 29.733 -0.148 18282 277 1 1 . 1 1 56 56 ARG H H 57 9.220 9.220 7.500 1.720 18282 278 1 1 . 1 1 57 57 ARG N N 58 120.674 120.674 120.125 0.549 18282 279 1 1 . 1 1 57 57 ARG HA H 58 4.186 4.186 3.915 0.271 18282 280 1 1 . 1 1 57 57 ARG C C 58 179.445 179.445 178.221 1.224 18282 281 1 1 . 1 1 57 57 ARG CA C 58 59.832 59.832 59.462 0.370 18282 282 1 1 . 1 1 57 57 ARG CB C 58 29.753 29.753 30.007 -0.254 18282 283 1 1 . 1 1 57 57 ARG H H 58 7.605 7.605 7.319 0.286 18282 284 1 1 . 1 1 58 58 VAL N N 59 121.833 121.833 118.115 3.718 18282 285 1 1 . 1 1 58 58 VAL HA H 59 3.675 3.675 3.741 -0.066 18282 286 1 1 . 1 1 58 58 VAL C C 59 176.565 176.565 177.127 -0.562 18282 287 1 1 . 1 1 58 58 VAL CA C 59 65.920 65.920 65.581 0.339 18282 288 1 1 . 1 1 58 58 VAL CB C 59 30.785 30.785 31.562 -0.777 18282 289 1 1 . 1 1 58 58 VAL H H 59 7.819 7.819 7.666 0.153 18282 290 1 1 . 1 1 59 59 GLY N N 60 106.521 106.521 106.510 0.011 18282 291 1 1 . 1 1 59 59 GLY C C 60 175.923 175.923 175.401 0.522 18282 292 1 1 . 1 1 59 59 GLY CA C 60 45.982 45.982 47.028 -1.046 18282 293 1 1 . 1 1 59 59 GLY H H 60 7.540 7.540 7.973 -0.433 18282 294 1 1 . 1 1 60 60 ASP N N 61 123.066 123.066 122.464 0.602 18282 295 1 1 . 1 1 60 60 ASP HA H 61 4.261 4.261 4.463 -0.202 18282 296 1 1 . 1 1 60 60 ASP C C 61 178.537 178.537 178.452 0.085 18282 297 1 1 . 1 1 60 60 ASP CA C 61 56.907 56.907 56.539 0.368 18282 298 1 1 . 1 1 60 60 ASP CB C 61 39.654 39.654 40.455 -0.801 18282 299 1 1 . 1 1 60 60 ASP H H 61 8.197 8.197 8.278 -0.082 18282 300 1 1 . 1 1 61 61 CYS N N 62 121.005 121.005 118.417 2.588 18282 301 1 1 . 1 1 61 61 CYS C C 62 177.083 177.083 177.280 -0.197 18282 302 1 1 . 1 1 61 61 CYS CA C 62 62.380 62.380 64.655 -2.275 18282 303 1 1 . 1 1 61 61 CYS CB C 62 26.011 26.011 27.093 -1.081 18282 304 1 1 . 1 1 61 61 CYS H H 62 7.858 7.858 7.715 0.143 18282 305 1 1 . 1 1 62 62 PHE N N 63 119.362 119.362 119.070 0.292 18282 306 1 1 . 1 1 62 62 PHE HA H 63 4.117 4.117 4.261 -0.144 18282 307 1 1 . 1 1 62 62 PHE C C 63 178.081 178.081 178.119 -0.038 18282 308 1 1 . 1 1 62 62 PHE CA C 63 57.843 57.843 62.170 -4.327 18282 309 1 1 . 1 1 62 62 PHE CB C 63 36.605 36.605 38.552 -1.947 18282 310 1 1 . 1 1 62 62 PHE H H 63 8.530 8.530 8.034 0.496 18282 311 1 1 . 1 1 63 63 GLN N N 64 118.829 118.829 119.921 -1.092 18282 312 1 1 . 1 1 63 63 GLN HA H 64 4.199 4.199 4.089 0.110 18282 313 1 1 . 1 1 63 63 GLN C C 64 177.645 177.645 177.912 -0.267 18282 314 1 1 . 1 1 63 63 GLN CA C 64 59.094 59.094 59.093 0.002 18282 315 1 1 . 1 1 63 63 GLN CB C 64 28.337 28.337 28.112 0.225 18282 316 1 1 . 1 1 63 63 GLN H H 64 8.236 8.236 8.555 -0.319 18282 317 1 1 . 1 1 64 64 ASP N N 65 120.234 120.234 120.283 -0.049 18282 318 1 1 . 1 1 64 64 ASP HA H 65 4.481 4.481 4.368 0.113 18282 319 1 1 . 1 1 64 64 ASP CA C 65 57.301 57.301 57.211 0.090 18282 320 1 1 . 1 1 64 64 ASP CB C 65 40.773 40.773 40.677 0.096 18282 321 1 1 . 1 1 64 64 ASP H H 65 8.257 8.257 8.298 -0.041 18282 322 1 1 . 1 1 65 65 TYR HA H 66 4.598 4.598 4.183 0.415 18282 323 1 1 . 1 1 65 65 TYR C C 66 178.524 178.524 176.992 1.532 18282 324 1 1 . 1 1 65 65 TYR CA C 66 60.355 60.355 60.884 -0.529 18282 325 1 1 . 1 1 65 65 TYR CB C 66 37.796 37.796 38.661 -0.865 18282 326 1 1 . 1 1 66 66 TYR N N 67 122.741 122.741 118.371 4.370 18282 327 1 1 . 1 1 66 66 TYR HA H 67 4.044 4.044 4.383 -0.339 18282 328 1 1 . 1 1 66 66 TYR C C 67 178.220 178.220 178.099 0.121 18282 329 1 1 . 1 1 66 66 TYR CA C 67 61.726 61.726 61.733 -0.007 18282 330 1 1 . 1 1 66 66 TYR CB C 67 38.932 38.932 39.193 -0.261 18282 331 1 1 . 1 1 66 66 TYR H H 67 9.083 9.083 8.300 0.783 18282 332 1 1 . 1 1 67 67 ASN N N 68 118.530 118.530 118.095 0.435 18282 333 1 1 . 1 1 67 67 ASN HA H 68 4.378 4.378 4.421 -0.043 18282 334 1 1 . 1 1 67 67 ASN C C 68 176.633 176.633 177.259 -0.626 18282 335 1 1 . 1 1 67 67 ASN CA C 68 55.293 55.293 55.929 -0.636 18282 336 1 1 . 1 1 67 67 ASN CB C 68 37.860 37.860 37.942 -0.082 18282 337 1 1 . 1 1 67 67 ASN H H 68 8.796 8.796 8.795 0.001 18282 338 1 1 . 1 1 68 68 THR N N 69 114.328 114.328 113.434 0.894 18282 339 1 1 . 1 1 68 68 THR HA H 69 3.872 3.872 3.845 0.027 18282 340 1 1 . 1 1 68 68 THR C C 69 174.832 174.832 175.137 -0.305 18282 341 1 1 . 1 1 68 68 THR CA C 69 65.224 65.224 64.936 0.288 18282 342 1 1 . 1 1 68 68 THR CB C 69 69.484 69.484 67.864 1.620 18282 343 1 1 . 1 1 68 68 THR H H 69 7.960 7.960 7.659 0.301 18282 344 1 1 . 1 1 69 69 PHE N N 70 118.107 118.107 120.239 -2.132 18282 345 1 1 . 1 1 69 69 PHE HA H 70 4.626 4.626 4.480 0.146 18282 346 1 1 . 1 1 69 69 PHE C C 70 176.495 176.495 175.611 0.884 18282 347 1 1 . 1 1 69 69 PHE CA C 70 58.409 58.409 57.611 0.798 18282 348 1 1 . 1 1 69 69 PHE CB C 70 40.742 40.742 38.290 2.452 18282 349 1 1 . 1 1 69 69 PHE H H 70 8.591 8.591 7.184 1.407 18282 350 1 1 . 1 1 70 70 GLY N N 71 109.309 109.309 109.512 -0.203 18282 351 1 1 . 1 1 70 70 GLY CA C 71 44.684 44.684 44.956 -0.272 18282 352 1 1 . 1 1 70 70 GLY H H 71 7.893 7.893 8.321 -0.428 18282 353 1 1 . 1 1 71 71 PRO HA H 72 4.691 4.691 4.516 0.175 18282 354 1 1 . 1 1 71 71 PRO C C 72 177.772 177.772 176.580 1.192 18282 355 1 1 . 1 1 71 71 PRO CA C 72 63.458 63.458 62.429 1.029 18282 356 1 1 . 1 1 71 71 PRO CB C 72 31.823 31.823 32.474 -0.651 18282 357 1 1 . 1 1 72 72 GLU N N 73 117.421 117.421 125.542 -8.121 18282 358 1 1 . 1 1 72 72 GLU HA H 73 4.061 4.061 4.217 -0.156 18282 359 1 1 . 1 1 72 72 GLU C C 73 177.236 177.236 177.276 -0.040 18282 360 1 1 . 1 1 72 72 GLU CA C 73 58.570 58.570 58.877 -0.307 18282 361 1 1 . 1 1 72 72 GLU CB C 73 28.853 28.853 29.462 -0.609 18282 362 1 1 . 1 1 72 72 GLU H H 73 8.595 8.595 9.001 -0.406 18282 363 1 1 . 1 1 73 73 LYS N N 74 116.846 116.846 119.360 -2.514 18282 364 1 1 . 1 1 73 73 LYS HA H 74 4.381 4.381 4.125 0.256 18282 365 1 1 . 1 1 73 73 LYS C C 74 175.662 175.662 176.636 -0.974 18282 366 1 1 . 1 1 73 73 LYS CA C 74 55.263 55.263 56.527 -1.264 18282 367 1 1 . 1 1 73 73 LYS CB C 74 33.891 33.891 31.636 2.255 18282 368 1 1 . 1 1 73 73 LYS H H 74 7.493 7.493 8.268 -0.775 18282 369 1 1 . 1 1 74 74 VAL N N 75 118.056 118.056 120.723 -2.667 18282 370 1 1 . 1 1 74 74 VAL HA H 75 4.423 4.423 4.057 0.366 18282 371 1 1 . 1 1 74 74 VAL CA C 75 58.438 58.438 61.820 -3.382 18282 372 1 1 . 1 1 74 74 VAL CB C 75 33.763 33.763 31.571 2.192 18282 373 1 1 . 1 1 74 74 VAL H H 75 7.342 7.342 8.245 -0.903 18282 374 1 1 . 1 1 75 75 PRO HA H 76 4.585 4.585 4.388 0.197 18282 375 1 1 . 1 1 75 75 PRO C C 76 178.543 178.543 177.626 0.917 18282 376 1 1 . 1 1 75 75 PRO CA C 76 61.911 61.911 63.124 -1.213 18282 377 1 1 . 1 1 75 75 PRO CB C 76 32.035 32.035 32.081 -0.046 18282 378 1 1 . 1 1 76 76 VAL N N 77 119.825 119.825 124.623 -4.798 18282 379 1 1 . 1 1 76 76 VAL HA H 77 3.921 3.921 3.836 0.085 18282 380 1 1 . 1 1 76 76 VAL CA C 77 65.316 65.316 64.913 0.403 18282 381 1 1 . 1 1 76 76 VAL CB C 77 31.316 31.316 31.205 0.111 18282 382 1 1 . 1 1 76 76 VAL H H 77 8.604 8.604 8.616 -0.012 18282 383 1 1 . 1 1 77 77 THR N N 78 109.390 109.390 113.220 -3.830 18282 384 1 1 . 1 1 77 77 THR HA H 78 3.914 3.914 4.127 -0.213 18282 385 1 1 . 1 1 77 77 THR C C 78 175.732 175.732 176.321 -0.589 18282 386 1 1 . 1 1 77 77 THR CA C 78 62.803 62.803 65.739 -2.936 18282 387 1 1 . 1 1 77 77 THR CB C 78 68.357 68.357 67.834 0.523 18282 388 1 1 . 1 1 77 77 THR H H 78 7.380 7.380 8.370 -0.990 18282 389 1 1 . 1 1 78 78 ALA N N 79 123.661 123.661 123.896 -0.235 18282 390 1 1 . 1 1 78 78 ALA HA H 79 4.001 4.001 4.326 -0.325 18282 391 1 1 . 1 1 78 78 ALA C C 79 179.527 179.527 180.030 -0.503 18282 392 1 1 . 1 1 78 78 ALA CA C 79 55.091 55.091 55.048 0.043 18282 393 1 1 . 1 1 78 78 ALA CB C 79 17.561 17.561 18.312 -0.751 18282 394 1 1 . 1 1 78 78 ALA H H 79 7.811 7.811 7.582 0.229 18282 395 1 1 . 1 1 79 79 PHE N N 80 114.258 114.258 118.135 -3.877 18282 396 1 1 . 1 1 79 79 PHE HA H 80 4.452 4.452 4.513 -0.061 18282 397 1 1 . 1 1 79 79 PHE C C 80 178.586 178.586 178.277 0.309 18282 398 1 1 . 1 1 79 79 PHE CA C 80 61.656 61.656 60.219 1.437 18282 399 1 1 . 1 1 79 79 PHE CB C 80 37.694 37.694 38.605 -0.911 18282 400 1 1 . 1 1 79 79 PHE H H 80 7.306 7.306 9.174 -1.868 18282 401 1 1 . 1 1 80 80 SER N N 81 116.865 116.865 116.328 0.537 18282 402 1 1 . 1 1 80 80 SER CA C 81 61.824 61.824 62.658 -0.834 18282 403 1 1 . 1 1 80 80 SER H H 81 7.733 7.733 7.869 -0.136 18282 404 1 1 . 1 1 81 81 TYR N N 82 121.932 121.932 122.108 -0.176 18282 405 1 1 . 1 1 81 81 TYR HA H 82 4.133 4.133 4.121 0.012 18282 406 1 1 . 1 1 81 81 TYR C C 82 177.701 177.701 177.471 0.230 18282 407 1 1 . 1 1 81 81 TYR CA C 82 60.027 60.027 62.295 -2.268 18282 408 1 1 . 1 1 81 81 TYR CB C 82 34.104 34.104 38.208 -4.104 18282 409 1 1 . 1 1 81 81 TYR H H 82 8.151 8.151 7.989 0.162 18282 410 1 1 . 1 1 82 82 TRP N N 83 120.817 120.817 120.256 0.561 18282 411 1 1 . 1 1 82 82 TRP HA H 83 4.436 4.436 4.253 0.183 18282 412 1 1 . 1 1 82 82 TRP CA C 83 63.975 63.975 61.077 2.898 18282 413 1 1 . 1 1 82 82 TRP CB C 83 28.557 28.557 29.412 -0.855 18282 414 1 1 . 1 1 82 82 TRP H H 83 8.645 8.645 8.209 0.437 18282 415 1 1 . 1 1 83 83 ASN HA H 84 4.230 4.230 3.751 0.479 18282 416 1 1 . 1 1 83 83 ASN C C 84 176.140 176.140 177.594 -1.454 18282 417 1 1 . 1 1 83 83 ASN CA C 84 56.683 56.683 55.909 0.774 18282 418 1 1 . 1 1 83 83 ASN CB C 84 39.116 39.116 37.695 1.421 18282 419 1 1 . 1 1 84 84 LEU N N 85 121.884 121.884 122.022 -0.138 18282 420 1 1 . 1 1 84 84 LEU HA H 85 4.054 4.054 4.086 -0.032 18282 421 1 1 . 1 1 84 84 LEU C C 85 178.369 178.369 178.276 0.093 18282 422 1 1 . 1 1 84 84 LEU CA C 85 58.228 58.228 57.706 0.521 18282 423 1 1 . 1 1 84 84 LEU CB C 85 41.576 41.576 41.825 -0.249 18282 424 1 1 . 1 1 84 84 LEU H H 85 7.751 7.751 7.890 -0.139 18282 425 1 1 . 1 1 85 85 ILE N N 86 116.825 116.825 119.138 -2.313 18282 426 1 1 . 1 1 85 85 ILE HA H 86 3.462 3.462 3.588 -0.126 18282 427 1 1 . 1 1 85 85 ILE C C 86 176.809 176.809 178.066 -1.257 18282 428 1 1 . 1 1 85 85 ILE CA C 86 61.345 61.345 65.426 -4.081 18282 429 1 1 . 1 1 85 85 ILE CB C 86 34.099 34.099 37.636 -3.537 18282 430 1 1 . 1 1 85 85 ILE H H 86 7.952 7.952 8.585 -0.633 18282 431 1 1 . 1 1 86 86 LYS N N 87 121.846 121.846 120.234 1.612 18282 432 1 1 . 1 1 86 86 LYS HA H 87 3.231 3.231 3.855 -0.624 18282 433 1 1 . 1 1 86 86 LYS C C 87 177.221 177.221 178.039 -0.818 18282 434 1 1 . 1 1 86 86 LYS CA C 87 60.033 60.033 59.804 0.229 18282 435 1 1 . 1 1 86 86 LYS CB C 87 31.005 31.005 31.820 -0.815 18282 436 1 1 . 1 1 86 86 LYS H H 87 7.876 7.876 7.795 0.081 18282 437 1 1 . 1 1 87 87 GLU N N 88 116.331 116.331 119.181 -2.850 18282 438 1 1 . 1 1 87 87 GLU HA H 88 3.861 3.861 4.315 -0.454 18282 439 1 1 . 1 1 87 87 GLU C C 88 178.810 178.810 178.735 0.075 18282 440 1 1 . 1 1 87 87 GLU CA C 88 58.949 58.949 58.206 0.743 18282 441 1 1 . 1 1 87 87 GLU CB C 88 29.221 29.221 28.678 0.543 18282 442 1 1 . 1 1 87 87 GLU H H 88 7.679 7.679 7.487 0.192 18282 443 1 1 . 1 1 88 88 LEU N N 89 118.090 118.090 121.590 -3.500 18282 444 1 1 . 1 1 88 88 LEU HA H 89 3.909 3.909 4.060 -0.151 18282 445 1 1 . 1 1 88 88 LEU CA C 89 57.688 57.688 57.854 -0.166 18282 446 1 1 . 1 1 88 88 LEU CB C 89 41.436 41.436 41.433 0.003 18282 447 1 1 . 1 1 88 88 LEU H H 89 7.441 7.441 8.143 -0.702 18282 448 1 1 . 1 1 89 89 ILE HA H 90 3.344 3.344 3.723 -0.379 18282 449 1 1 . 1 1 89 89 ILE CA C 90 65.082 65.082 64.329 0.753 18282 450 1 1 . 1 1 89 89 ILE CB C 90 37.556 37.556 38.121 -0.565 18282 451 1 1 . 1 1 90 90 ASP HA H 91 3.894 3.894 4.392 -0.498 18282 452 1 1 . 1 1 90 90 ASP CA C 91 57.678 57.678 56.052 1.626 18282 453 1 1 . 1 1 90 90 ASP CB C 91 40.546 40.546 40.702 -0.156 18282 454 1 1 . 1 1 91 91 LYS N N 92 119.422 119.422 118.978 0.444 18282 455 1 1 . 1 1 91 91 LYS CA C 92 54.600 54.600 57.213 -2.613 18282 456 1 1 . 1 1 91 91 LYS CB C 92 32.014 32.014 33.089 -1.075 18282 457 1 1 . 1 1 91 91 LYS H H 92 7.903 7.903 7.491 0.412 18282 458 1 1 . 1 1 92 92 LYS HA H 93 4.541 4.541 4.226 0.315 18282 459 1 1 . 1 1 92 92 LYS CA C 93 55.202 55.202 57.667 -2.465 18282 460 1 1 . 1 1 92 92 LYS CB C 93 31.758 31.758 32.743 -0.986 18282 461 1 1 . 1 1 93 93 GLU N N 94 115.922 115.922 119.013 -3.091 18282 462 1 1 . 1 1 93 93 GLU HA H 94 4.283 4.283 4.203 0.080 18282 463 1 1 . 1 1 93 93 GLU C C 94 175.613 175.613 176.287 -0.674 18282 464 1 1 . 1 1 93 93 GLU CA C 94 56.296 56.296 57.282 -0.986 18282 465 1 1 . 1 1 93 93 GLU CB C 94 29.415 29.415 29.440 -0.025 18282 466 1 1 . 1 1 93 93 GLU H H 94 8.140 8.140 8.041 0.099 18282 467 1 1 . 1 1 94 94 VAL N N 95 121.304 121.304 120.011 1.293 18282 468 1 1 . 1 1 94 94 VAL HA H 95 3.773 3.773 3.771 0.002 18282 469 1 1 . 1 1 94 94 VAL CA C 95 62.257 62.257 63.632 -1.375 18282 470 1 1 . 1 1 94 94 VAL CB C 95 32.047 32.047 31.791 0.256 18282 471 1 1 . 1 1 94 94 VAL H H 95 8.003 8.003 7.555 0.448 18282 472 1 1 . 1 1 95 95 ASN H H 96 7.518 7.518 8.539 -1.021 18282 473 1 1 . 1 1 96 96 PRO HA H 97 4.319 4.319 4.106 0.213 18282 474 1 1 . 1 1 96 96 PRO C C 97 179.088 179.088 177.970 1.118 18282 475 1 1 . 1 1 96 96 PRO CA C 97 64.963 64.963 65.020 -0.057 18282 476 1 1 . 1 1 96 96 PRO CB C 97 32.035 32.035 31.501 0.534 18282 477 1 1 . 1 1 97 97 GLN N N 98 117.793 117.793 117.810 -0.017 18282 478 1 1 . 1 1 97 97 GLN HA H 98 3.952 3.952 3.983 -0.031 18282 479 1 1 . 1 1 97 97 GLN C C 98 179.272 179.272 177.643 1.629 18282 480 1 1 . 1 1 97 97 GLN CA C 98 55.691 55.691 58.753 -3.062 18282 481 1 1 . 1 1 97 97 GLN CB C 98 28.378 28.378 27.451 0.927 18282 482 1 1 . 1 1 97 97 GLN H H 98 8.351 8.351 8.537 -0.186 18282 483 1 1 . 1 1 98 98 VAL N N 99 121.247 121.247 120.281 0.966 18282 484 1 1 . 1 1 98 98 VAL HA H 99 3.440 3.440 3.784 -0.344 18282 485 1 1 . 1 1 98 98 VAL CA C 99 67.776 67.776 65.900 1.876 18282 486 1 1 . 1 1 98 98 VAL CB C 99 31.574 31.574 31.760 -0.186 18282 487 1 1 . 1 1 98 98 VAL H H 99 7.901 7.901 7.773 0.128 18282 488 1 1 . 1 1 100 100 ALA HA H 101 4.218 4.218 4.121 0.097 18282 489 1 1 . 1 1 100 100 ALA C C 101 179.599 179.599 179.245 0.354 18282 490 1 1 . 1 1 100 100 ALA CA C 101 54.685 54.685 54.892 -0.207 18282 491 1 1 . 1 1 100 100 ALA CB C 101 17.562 17.562 18.016 -0.454 18282 492 1 1 . 1 1 101 101 ALA N N 102 119.533 119.533 120.962 -1.429 18282 493 1 1 . 1 1 101 101 ALA HA H 102 4.005 4.005 4.520 -0.515 18282 494 1 1 . 1 1 101 101 ALA C C 102 180.970 180.970 179.311 1.659 18282 495 1 1 . 1 1 101 101 ALA CA C 102 55.013 55.013 54.118 0.895 18282 496 1 1 . 1 1 101 101 ALA CB C 102 17.422 17.422 18.282 -0.860 18282 497 1 1 . 1 1 101 101 ALA H H 102 7.559 7.559 8.090 -0.531 18282 498 1 1 . 1 1 102 102 VAL N N 103 122.669 122.669 119.540 3.129 18282 499 1 1 . 1 1 102 102 VAL HA H 103 4.087 4.087 3.748 0.339 18282 500 1 1 . 1 1 102 102 VAL C C 103 175.666 175.666 177.081 -1.415 18282 501 1 1 . 1 1 102 102 VAL CA C 103 61.850 61.850 64.645 -2.795 18282 502 1 1 . 1 1 102 102 VAL CB C 103 32.576 32.576 30.977 1.599 18282 503 1 1 . 1 1 102 102 VAL H H 103 8.851 8.851 7.484 1.367 18282 504 1 1 . 1 1 103 103 ALA N N 104 128.048 128.048 122.412 5.636 18282 505 1 1 . 1 1 103 103 ALA HA H 104 4.288 4.288 3.975 0.313 18282 506 1 1 . 1 1 103 103 ALA C C 104 177.344 177.344 178.610 -1.266 18282 507 1 1 . 1 1 103 103 ALA CA C 104 52.194 52.194 54.920 -2.726 18282 508 1 1 . 1 1 103 103 ALA CB C 104 19.021 19.021 18.491 0.530 18282 509 1 1 . 1 1 103 103 ALA H H 104 8.374 8.374 7.929 0.445 18282 510 1 1 . 1 1 104 104 GLN N N 105 120.285 120.285 116.375 3.910 18282 511 1 1 . 1 1 104 104 GLN HA H 105 4.281 4.281 3.965 0.316 18282 512 1 1 . 1 1 104 104 GLN CA C 105 55.656 55.656 57.932 -2.276 18282 513 1 1 . 1 1 104 104 GLN CB C 105 32.581 32.581 28.863 3.719 18282 514 1 1 . 1 1 104 104 GLN H H 105 8.374 8.374 7.588 0.786 18282 515 1 1 . 1 1 105 105 THR HA H 106 4.293 4.293 4.022 0.271 18282 516 1 1 . 1 1 105 105 THR C C 106 174.384 174.384 175.551 -1.167 18282 517 1 1 . 1 1 105 105 THR CA C 106 61.663 61.663 64.531 -2.868 18282 518 1 1 . 1 1 105 105 THR CB C 106 69.458 69.458 69.093 0.365 18282 519 1 1 . 1 1 106 106 GLU N N 107 122.744 122.744 120.046 2.698 18282 520 1 1 . 1 1 106 106 GLU HA H 107 4.241 4.241 4.273 -0.032 18282 521 1 1 . 1 1 106 106 GLU C C 107 176.331 176.331 176.223 0.108 18282 522 1 1 . 1 1 106 106 GLU CA C 107 56.621 56.621 56.110 0.511 18282 523 1 1 . 1 1 106 106 GLU CB C 107 30.004 30.004 30.192 -0.188 18282 524 1 1 . 1 1 106 106 GLU H H 107 8.415 8.415 7.751 0.664 18282 525 1 1 . 1 1 107 107 GLU N N 108 121.993 121.993 119.026 2.967 18282 526 1 1 . 1 1 107 107 GLU HA H 108 4.184 4.184 4.519 -0.335 18282 527 1 1 . 1 1 107 107 GLU C C 108 176.404 176.404 177.851 -1.447 18282 528 1 1 . 1 1 107 107 GLU CA C 108 56.721 56.721 55.188 1.533 18282 529 1 1 . 1 1 107 107 GLU CB C 108 29.770 29.770 30.450 -0.679 18282 530 1 1 . 1 1 107 107 GLU H H 108 8.334 8.334 8.581 -0.247 18282 531 1 1 . 1 1 108 108 ILE N N 109 122.204 122.204 122.897 -0.693 18282 532 1 1 . 1 1 108 108 ILE HA H 109 4.052 4.052 3.754 0.298 18282 533 1 1 . 1 1 108 108 ILE C C 109 176.261 176.261 176.328 -0.067 18282 534 1 1 . 1 1 108 108 ILE CA C 109 61.245 61.245 63.371 -2.126 18282 535 1 1 . 1 1 108 108 ILE CB C 109 38.157 38.157 37.693 0.464 18282 536 1 1 . 1 1 108 108 ILE H H 109 8.068 8.068 8.940 -0.872 18282 537 1 1 . 1 1 109 109 LEU N N 110 125.608 125.608 119.200 6.408 18282 538 1 1 . 1 1 109 109 LEU HA H 110 4.295 4.295 4.071 0.224 18282 539 1 1 . 1 1 109 109 LEU C C 110 177.275 177.275 178.157 -0.882 18282 540 1 1 . 1 1 109 109 LEU CA C 110 55.103 55.103 56.258 -1.155 18282 541 1 1 . 1 1 109 109 LEU CB C 110 41.929 41.929 41.847 0.082 18282 542 1 1 . 1 1 109 109 LEU H H 110 8.187 8.187 7.496 0.691 18282 543 1 1 . 1 1 110 110 LYS N N 111 122.154 122.154 118.487 3.667 18282 544 1 1 . 1 1 110 110 LYS HA H 111 4.278 4.278 4.318 -0.040 18282 545 1 1 . 1 1 110 110 LYS C C 111 176.606 176.606 176.197 0.409 18282 546 1 1 . 1 1 110 110 LYS CA C 111 56.125 56.125 55.432 0.693 18282 547 1 1 . 1 1 110 110 LYS CB C 111 32.423 32.423 31.828 0.595 18282 548 1 1 . 1 1 110 110 LYS H H 111 8.206 8.206 7.995 0.211 18282 549 1 1 . 1 1 111 111 SER N N 112 116.381 116.381 122.102 -5.721 18282 550 1 1 . 1 1 111 111 SER HA H 112 4.395 4.395 4.283 0.112 18282 551 1 1 . 1 1 111 111 SER C C 112 175.168 175.168 174.695 0.473 18282 552 1 1 . 1 1 111 111 SER CA C 112 58.456 58.456 60.674 -2.218 18282 553 1 1 . 1 1 111 111 SER CB C 112 63.495 63.495 63.664 -0.169 18282 554 1 1 . 1 1 111 111 SER H H 112 8.217 8.217 8.616 -0.399 18282 555 1 1 . 1 1 112 112 ASN N N 113 119.799 119.799 115.846 3.953 18282 556 1 1 . 1 1 112 112 ASN HA H 113 4.699 4.699 4.981 -0.282 18282 557 1 1 . 1 1 112 112 ASN C C 113 175.552 175.552 174.270 1.282 18282 558 1 1 . 1 1 112 112 ASN CA C 113 53.592 53.592 52.069 1.523 18282 559 1 1 . 1 1 112 112 ASN CB C 113 38.772 38.772 40.364 -1.592 18282 560 1 1 . 1 1 112 112 ASN H H 113 7.950 7.950 7.860 0.090 18282 561 1 1 . 1 1 113 113 SER N N 114 115.430 115.430 114.096 1.334 18282 562 1 1 . 1 1 113 113 SER HA H 114 4.382 4.382 4.219 0.163 18282 563 1 1 . 1 1 113 113 SER C C 114 174.558 174.558 175.267 -0.709 18282 564 1 1 . 1 1 113 113 SER CA C 114 58.919 58.919 59.812 -0.893 18282 565 1 1 . 1 1 113 113 SER CB C 114 63.494 63.494 63.566 -0.072 18282 566 1 1 . 1 1 113 113 SER H H 114 7.970 7.970 8.492 -0.522 18282 567 1 1 . 1 1 114 114 GLN N N 115 121.973 121.973 120.546 1.427 18282 568 1 1 . 1 1 114 114 GLN HA H 115 4.347 4.347 4.182 0.165 18282 569 1 1 . 1 1 114 114 GLN C C 115 176.246 176.246 176.319 -0.073 18282 570 1 1 . 1 1 114 114 GLN CA C 115 56.036 56.036 56.944 -0.908 18282 571 1 1 . 1 1 114 114 GLN CB C 115 29.196 29.196 29.187 0.009 18282 572 1 1 . 1 1 114 114 GLN H H 115 8.382 8.382 7.771 0.611 18282 573 1 1 . 1 1 115 115 THR N N 116 114.701 114.701 111.099 3.602 18282 574 1 1 . 1 1 115 115 THR HA H 116 4.238 4.238 4.316 -0.078 18282 575 1 1 . 1 1 115 115 THR C C 116 174.276 174.276 175.793 -1.517 18282 576 1 1 . 1 1 115 115 THR CA C 116 62.221 62.221 61.215 1.006 18282 577 1 1 . 1 1 115 115 THR CB C 116 69.405 69.405 69.899 -0.494 18282 578 1 1 . 1 1 115 115 THR H H 116 8.070 8.070 8.370 -0.300 18282 579 1 1 . 1 1 116 116 ASP N N 117 122.566 122.566 117.894 4.672 18282 580 1 1 . 1 1 116 116 ASP HA H 117 4.575 4.575 4.385 0.190 18282 581 1 1 . 1 1 116 116 ASP C C 117 176.241 176.241 175.972 0.269 18282 582 1 1 . 1 1 116 116 ASP CA C 117 54.286 54.286 55.952 -1.666 18282 583 1 1 . 1 1 116 116 ASP CB C 117 40.609 40.609 40.441 0.168 18282 584 1 1 . 1 1 116 116 ASP H H 117 8.288 8.288 8.657 -0.369 18282 585 1 1 . 1 1 117 117 LEU N N 118 122.118 122.118 121.826 0.292 18282 586 1 1 . 1 1 117 117 LEU HA H 118 4.163 4.163 4.382 -0.219 18282 587 1 1 . 1 1 117 117 LEU C C 118 177.637 177.637 175.917 1.720 18282 588 1 1 . 1 1 117 117 LEU CA C 118 55.475 55.475 53.614 1.861 18282 589 1 1 . 1 1 117 117 LEU CB C 118 41.964 41.964 42.764 -0.800 18282 590 1 1 . 1 1 117 117 LEU H H 118 8.088 8.088 7.288 0.800 18282 591 1 1 . 1 1 118 118 GLU N N 119 119.527 119.527 122.871 -3.344 18282 592 1 1 . 1 1 118 118 GLU HA H 119 4.086 4.086 4.255 -0.169 18282 593 1 1 . 1 1 118 118 GLU C C 119 176.265 176.265 175.419 0.846 18282 594 1 1 . 1 1 118 118 GLU CA C 119 56.569 56.569 55.241 1.328 18282 595 1 1 . 1 1 118 118 GLU CB C 119 29.486 29.486 30.894 -1.408 18282 596 1 1 . 1 1 118 118 GLU H H 119 8.134 8.134 8.364 -0.230 18282 597 1 1 . 1 1 119 119 HIS N N 120 118.076 118.076 123.001 -4.925 18282 598 1 1 . 1 1 119 119 HIS HA H 120 4.485 4.485 4.887 -0.402 18282 599 1 1 . 1 1 119 119 HIS CA C 120 55.422 55.422 55.550 -0.128 18282 600 1 1 . 1 1 119 119 HIS CB C 120 28.628 28.628 31.315 -2.687 18282 601 1 1 . 1 1 119 119 HIS H H 120 8.134 8.134 7.975 0.159 18282 602 1 1 . 1 1 120 120 HIS N N 121 119.323 119.323 119.970 -0.647 18282 603 1 1 . 1 1 120 120 HIS HA H 121 4.242 4.242 4.948 -0.706 18282 604 1 1 . 1 1 120 120 HIS CA C 121 56.732 56.732 55.388 1.344 18282 605 1 1 . 1 1 120 120 HIS H H 121 8.372 8.372 8.767 -0.395 18282 606 1 1 . 1 1 121 121 HIS N N 122 126.032 126.032 122.599 3.433 18282 607 1 1 . 1 1 121 121 HIS CA C 122 57.036 57.036 59.071 -2.035 18282 608 1 1 . 1 1 121 121 HIS CB C 122 29.923 29.923 29.837 0.086 18282 609 1 1 . 1 1 121 121 HIS H H 122 7.900 7.900 9.048 -1.148 18282 610 1 1 . 1 1 122 122 HIS N N 123 121.012 121.012 116.324 4.688 18282 611 1 1 . 1 1 122 122 HIS HA H 123 4.595 4.595 4.354 0.241 18282 612 1 1 . 1 1 122 122 HIS CA C 123 55.372 55.372 59.100 -3.728 18282 613 1 1 . 1 1 122 122 HIS CB C 123 29.165 29.165 29.465 -0.300 18282 614 1 1 . 1 1 122 122 HIS H H 123 8.595 8.595 8.388 0.207 18282 615 1 1 . 1 1 123 123 HIS N N 124 120.343 120.343 115.616 4.727 18282 616 1 1 . 1 1 123 123 HIS CA C 124 57.380 57.380 58.385 -1.004 18282 617 1 1 . 1 1 123 123 HIS CB C 124 35.491 35.491 30.791 4.700 18282 618 1 1 . 1 1 123 123 HIS H H 124 8.558 8.558 8.205 0.353 18282 619 1 2 . 1 1 2 2 GLN N N 3 122.228 122.228 120.268 1.960 18282 620 1 2 . 1 1 2 2 GLN HA H 3 3.896 3.896 4.044 -0.148 18282 621 1 2 . 1 1 2 2 GLN C C 3 178.672 178.672 178.136 0.536 18282 622 1 2 . 1 1 2 2 GLN CA C 3 58.794 58.794 58.030 0.764 18282 623 1 2 . 1 1 2 2 GLN H H 3 9.310 9.310 8.513 0.797 18282 624 1 2 . 1 1 3 3 GLU N N 4 119.529 119.529 120.002 -0.473 18282 625 1 2 . 1 1 3 3 GLU C C 4 175.504 175.504 178.435 -2.931 18282 626 1 2 . 1 1 3 3 GLU CA C 4 59.561 59.561 58.645 0.916 18282 627 1 2 . 1 1 3 3 GLU CB C 4 28.876 28.876 29.182 -0.306 18282 628 1 2 . 1 1 3 3 GLU H H 4 8.489 8.489 8.800 -0.311 18282 629 1 2 . 1 1 4 4 LEU N N 5 114.832 114.832 121.350 -6.518 18282 630 1 2 . 1 1 4 4 LEU HA H 5 3.716 3.716 3.976 -0.260 18282 631 1 2 . 1 1 4 4 LEU C C 5 178.276 178.276 178.154 0.122 18282 632 1 2 . 1 1 4 4 LEU CA C 5 57.813 57.813 57.699 0.114 18282 633 1 2 . 1 1 4 4 LEU CB C 5 40.844 40.844 41.813 -0.969 18282 634 1 2 . 1 1 4 4 LEU H H 5 8.210 8.210 7.587 0.623 18282 635 1 2 . 1 1 5 5 SER N N 6 109.726 109.726 114.785 -5.059 18282 636 1 2 . 1 1 5 5 SER HA H 6 4.127 4.127 4.071 0.056 18282 637 1 2 . 1 1 5 5 SER C C 6 178.508 178.508 176.488 2.020 18282 638 1 2 . 1 1 5 5 SER CA C 6 60.401 60.401 62.256 -1.855 18282 639 1 2 . 1 1 5 5 SER CB C 6 63.535 63.535 62.990 0.545 18282 640 1 2 . 1 1 5 5 SER H H 6 8.247 8.247 8.052 0.195 18282 641 1 2 . 1 1 6 6 GLN N N 7 117.203 117.203 120.638 -3.435 18282 642 1 2 . 1 1 6 6 GLN HA H 7 4.026 4.026 4.043 -0.017 18282 643 1 2 . 1 1 6 6 GLN CA C 7 58.474 58.474 58.693 -0.219 18282 644 1 2 . 1 1 6 6 GLN H H 7 8.719 8.719 8.763 -0.044 18282 645 1 2 . 1 1 7 7 HIS C C 8 178.622 178.622 177.264 1.358 18282 646 1 2 . 1 1 8 8 GLU N N 9 120.357 120.357 119.062 1.295 18282 647 1 2 . 1 1 8 8 GLU HA H 9 3.969 3.969 4.018 -0.049 18282 648 1 2 . 1 1 8 8 GLU C C 9 178.408 178.408 179.093 -0.685 18282 649 1 2 . 1 1 8 8 GLU CA C 9 58.244 58.244 59.535 -1.291 18282 650 1 2 . 1 1 8 8 GLU CB C 9 29.013 29.013 29.686 -0.672 18282 651 1 2 . 1 1 8 8 GLU H H 9 7.701 7.701 7.876 -0.175 18282 652 1 2 . 1 1 9 9 ARG N N 10 118.791 118.791 118.226 0.565 18282 653 1 2 . 1 1 9 9 ARG HA H 10 4.124 4.124 3.973 0.151 18282 654 1 2 . 1 1 9 9 ARG C C 10 178.599 178.599 178.564 0.035 18282 655 1 2 . 1 1 9 9 ARG CA C 10 58.633 58.633 59.194 -0.561 18282 656 1 2 . 1 1 9 9 ARG CB C 10 29.005 29.005 30.213 -1.208 18282 657 1 2 . 1 1 9 9 ARG H H 10 8.910 8.910 7.782 1.128 18282 658 1 2 . 1 1 10 10 TYR N N 11 121.239 121.239 120.570 0.669 18282 659 1 2 . 1 1 10 10 TYR HA H 11 4.186 4.186 4.064 0.122 18282 660 1 2 . 1 1 10 10 TYR C C 11 176.644 176.644 177.768 -1.124 18282 661 1 2 . 1 1 10 10 TYR CA C 11 61.311 61.311 61.889 -0.578 18282 662 1 2 . 1 1 10 10 TYR CB C 11 37.956 37.956 38.144 -0.188 18282 663 1 2 . 1 1 10 10 TYR H H 11 7.562 7.562 8.446 -0.884 18282 664 1 2 . 1 1 11 11 VAL N N 12 119.249 119.249 118.732 0.517 18282 665 1 2 . 1 1 11 11 VAL HA H 12 3.119 3.119 3.460 -0.341 18282 666 1 2 . 1 1 11 11 VAL C C 12 177.275 177.275 177.661 -0.386 18282 667 1 2 . 1 1 11 11 VAL CA C 12 66.925 66.925 66.129 0.796 18282 668 1 2 . 1 1 11 11 VAL CB C 12 30.981 30.981 31.712 -0.731 18282 669 1 2 . 1 1 11 11 VAL H H 12 8.087 8.087 7.512 0.575 18282 670 1 2 . 1 1 12 12 GLU N N 13 119.569 119.569 119.279 0.290 18282 671 1 2 . 1 1 12 12 GLU HA H 13 4.213 4.213 3.965 0.248 18282 672 1 2 . 1 1 12 12 GLU C C 13 175.207 175.207 178.617 -3.410 18282 673 1 2 . 1 1 12 12 GLU CA C 13 55.971 55.971 58.846 -2.875 18282 674 1 2 . 1 1 12 12 GLU CB C 13 28.439 28.439 29.766 -1.327 18282 675 1 2 . 1 1 12 12 GLU H H 13 8.312 8.312 7.479 0.833 18282 676 1 2 . 1 1 13 13 GLN N N 14 119.375 119.375 119.880 -0.505 18282 677 1 2 . 1 1 13 13 GLN HA H 14 3.657 3.657 3.949 -0.292 18282 678 1 2 . 1 1 13 13 GLN CA C 14 54.294 54.294 58.547 -4.253 18282 679 1 2 . 1 1 13 13 GLN CB C 14 29.681 29.681 28.174 1.507 18282 680 1 2 . 1 1 13 13 GLN H H 14 7.690 7.690 8.657 -0.967 18282 681 1 2 . 1 1 14 14 LEU HA H 15 3.865 3.865 3.711 0.154 18282 682 1 2 . 1 1 14 14 LEU CA C 15 58.177 58.177 57.277 0.900 18282 683 1 2 . 1 1 14 14 LEU CB C 15 40.693 40.693 40.612 0.081 18282 684 1 2 . 1 1 15 15 LYS HA H 16 3.737 3.737 3.803 -0.066 18282 685 1 2 . 1 1 15 15 LYS C C 16 177.817 177.817 179.403 -1.586 18282 686 1 2 . 1 1 15 15 LYS CA C 16 60.352 60.352 59.373 0.979 18282 687 1 2 . 1 1 15 15 LYS CB C 16 32.106 32.106 31.942 0.164 18282 688 1 2 . 1 1 16 16 GLN N N 17 117.498 117.498 118.041 -0.543 18282 689 1 2 . 1 1 16 16 GLN HA H 17 3.864 3.864 4.004 -0.140 18282 690 1 2 . 1 1 16 16 GLN CA C 17 58.307 58.307 58.207 0.100 18282 691 1 2 . 1 1 16 16 GLN CB C 17 27.788 27.788 28.312 -0.524 18282 692 1 2 . 1 1 16 16 GLN H H 17 7.862 7.862 7.872 -0.010 18282 693 1 2 . 1 1 17 17 ALA HA H 18 3.793 3.793 3.935 -0.142 18282 694 1 2 . 1 1 17 17 ALA C C 18 179.147 179.147 179.987 -0.840 18282 695 1 2 . 1 1 17 17 ALA CA C 18 54.792 54.792 54.844 -0.052 18282 696 1 2 . 1 1 17 17 ALA CB C 18 17.693 17.693 18.090 -0.397 18282 697 1 2 . 1 1 18 18 LEU N N 19 117.278 117.278 118.110 -0.832 18282 698 1 2 . 1 1 18 18 LEU HA H 19 3.784 3.784 3.740 0.044 18282 699 1 2 . 1 1 18 18 LEU C C 19 174.935 174.935 179.121 -4.186 18282 700 1 2 . 1 1 18 18 LEU CA C 19 57.731 57.731 57.121 0.610 18282 701 1 2 . 1 1 18 18 LEU CB C 19 40.703 40.703 41.364 -0.661 18282 702 1 2 . 1 1 18 18 LEU H H 19 8.168 8.168 7.745 0.423 18282 703 1 2 . 1 1 19 19 LYS N N 20 118.025 118.025 120.147 -2.122 18282 704 1 2 . 1 1 19 19 LYS C C 20 177.982 177.982 179.055 -1.073 18282 705 1 2 . 1 1 19 19 LYS CA C 20 60.439 60.439 59.246 1.193 18282 706 1 2 . 1 1 19 19 LYS H H 20 8.345 8.345 7.569 0.776 18282 707 1 2 . 1 1 20 20 THR N N 21 116.345 116.345 112.757 3.588 18282 708 1 2 . 1 1 20 20 THR HA H 21 4.126 4.126 4.112 0.014 18282 709 1 2 . 1 1 20 20 THR C C 21 175.469 175.469 175.849 -0.380 18282 710 1 2 . 1 1 20 20 THR CA C 21 64.643 64.643 64.450 0.193 18282 711 1 2 . 1 1 20 20 THR CB C 21 68.652 68.652 68.505 0.147 18282 712 1 2 . 1 1 20 20 THR H H 21 7.896 7.896 7.478 0.418 18282 713 1 2 . 1 1 21 21 ARG N N 22 118.792 118.792 120.060 -1.268 18282 714 1 2 . 1 1 21 21 ARG HA H 22 4.375 4.375 4.270 0.105 18282 715 1 2 . 1 1 21 21 ARG C C 22 176.364 176.364 176.965 -0.601 18282 716 1 2 . 1 1 21 21 ARG CA C 22 54.157 54.157 55.474 -1.317 18282 717 1 2 . 1 1 21 21 ARG CB C 22 29.453 29.453 29.808 -0.355 18282 718 1 2 . 1 1 21 21 ARG H H 22 7.317 7.317 7.883 -0.566 18282 719 1 2 . 1 1 22 22 GLY N N 23 108.428 108.428 106.550 1.878 18282 720 1 2 . 1 1 22 22 GLY C C 23 174.154 174.154 174.142 0.012 18282 721 1 2 . 1 1 22 22 GLY CA C 23 45.953 45.953 45.235 0.718 18282 722 1 2 . 1 1 22 22 GLY H H 23 7.881 7.881 7.607 0.274 18282 723 1 2 . 1 1 23 23 VAL N N 24 117.319 117.319 117.744 -0.425 18282 724 1 2 . 1 1 23 23 VAL HA H 24 4.036 4.036 4.102 -0.066 18282 725 1 2 . 1 1 23 23 VAL C C 24 175.601 175.601 175.120 0.481 18282 726 1 2 . 1 1 23 23 VAL CA C 24 61.635 61.635 60.597 1.038 18282 727 1 2 . 1 1 23 23 VAL CB C 24 32.589 32.589 33.191 -0.602 18282 728 1 2 . 1 1 23 23 VAL H H 24 7.431 7.431 7.098 0.333 18282 729 1 2 . 1 1 24 24 LYS N N 25 127.424 127.424 123.658 3.766 18282 730 1 2 . 1 1 24 24 LYS HA H 25 4.336 4.336 4.584 -0.248 18282 731 1 2 . 1 1 24 24 LYS C C 25 175.550 175.550 175.087 0.463 18282 732 1 2 . 1 1 24 24 LYS CA C 25 55.811 55.811 55.559 0.252 18282 733 1 2 . 1 1 24 24 LYS CB C 25 32.269 32.269 34.281 -2.012 18282 734 1 2 . 1 1 24 24 LYS H H 25 8.665 8.665 8.435 0.230 18282 735 1 2 . 1 1 25 25 VAL N N 26 120.764 120.764 118.826 1.938 18282 736 1 2 . 1 1 25 25 VAL HA H 26 4.140 4.140 4.247 -0.107 18282 737 1 2 . 1 1 25 25 VAL C C 26 174.206 174.206 174.951 -0.745 18282 738 1 2 . 1 1 25 25 VAL CA C 26 60.316 60.316 61.224 -0.908 18282 739 1 2 . 1 1 25 25 VAL CB C 26 33.920 33.920 32.253 1.667 18282 740 1 2 . 1 1 25 25 VAL H H 26 7.545 7.545 8.252 -0.707 18282 741 1 2 . 1 1 26 26 LYS N N 27 125.707 125.707 125.841 -0.134 18282 742 1 2 . 1 1 26 26 LYS HA H 27 4.115 4.115 4.363 -0.248 18282 743 1 2 . 1 1 26 26 LYS CA C 27 55.211 55.211 54.285 0.926 18282 744 1 2 . 1 1 26 26 LYS CB C 27 31.930 31.930 35.579 -3.649 18282 745 1 2 . 1 1 26 26 LYS H H 27 8.608 8.608 8.171 0.437 18282 746 1 2 . 1 1 27 27 TYR CA C 28 56.418 56.418 62.028 -5.610 18282 747 1 2 . 1 1 27 27 TYR CB C 28 37.036 37.036 37.453 -0.417 18282 748 1 2 . 1 1 28 28 ALA N N 29 120.712 120.712 121.161 -0.449 18282 749 1 2 . 1 1 28 28 ALA HA H 29 3.712 3.712 4.004 -0.292 18282 750 1 2 . 1 1 28 28 ALA C C 29 180.210 180.210 179.579 0.631 18282 751 1 2 . 1 1 28 28 ALA CA C 29 54.911 54.911 54.642 0.269 18282 752 1 2 . 1 1 28 28 ALA CB C 29 18.034 18.034 17.468 0.566 18282 753 1 2 . 1 1 28 28 ALA H H 29 8.326 8.326 8.354 -0.028 18282 754 1 2 . 1 1 29 29 ASP N N 30 117.166 117.166 119.234 -2.068 18282 755 1 2 . 1 1 29 29 ASP HA H 30 4.379 4.379 4.357 0.022 18282 756 1 2 . 1 1 29 29 ASP C C 30 178.427 178.427 178.310 0.117 18282 757 1 2 . 1 1 29 29 ASP CA C 30 56.459 56.459 57.141 -0.682 18282 758 1 2 . 1 1 29 29 ASP CB C 30 39.962 39.962 39.809 0.153 18282 759 1 2 . 1 1 29 29 ASP H H 30 6.913 6.913 8.887 -1.974 18282 760 1 2 . 1 1 30 30 LEU N N 31 123.105 123.105 120.833 2.272 18282 761 1 2 . 1 1 30 30 LEU HA H 31 3.491 3.491 4.271 -0.779 18282 762 1 2 . 1 1 30 30 LEU CA C 31 56.841 56.841 57.895 -1.054 18282 763 1 2 . 1 1 30 30 LEU CB C 31 40.888 40.888 42.091 -1.203 18282 764 1 2 . 1 1 30 30 LEU H H 31 7.543 7.543 7.569 -0.026 18282 765 1 2 . 1 1 31 31 LEU HA H 32 3.611 3.611 3.915 -0.304 18282 766 1 2 . 1 1 31 31 LEU C C 32 179.120 179.120 179.319 -0.199 18282 767 1 2 . 1 1 31 31 LEU CA C 32 58.103 58.103 58.197 -0.094 18282 768 1 2 . 1 1 31 31 LEU CB C 32 40.594 40.594 41.212 -0.618 18282 769 1 2 . 1 1 32 32 LYS N N 33 118.074 118.074 118.618 -0.544 18282 770 1 2 . 1 1 32 32 LYS HA H 33 4.202 4.202 4.177 0.025 18282 771 1 2 . 1 1 32 32 LYS C C 33 180.044 180.044 178.828 1.216 18282 772 1 2 . 1 1 32 32 LYS CA C 33 59.081 59.081 59.104 -0.023 18282 773 1 2 . 1 1 32 32 LYS CB C 33 31.735 31.735 32.835 -1.100 18282 774 1 2 . 1 1 32 32 LYS H H 33 7.189 7.189 8.155 -0.966 18282 775 1 2 . 1 1 33 33 PHE N N 34 122.977 122.977 120.523 2.454 18282 776 1 2 . 1 1 33 33 PHE CA C 34 60.402 60.402 61.953 -1.550 18282 777 1 2 . 1 1 33 33 PHE H H 34 7.768 7.768 8.827 -1.059 18282 778 1 2 . 1 1 34 34 PHE HA H 35 3.800 3.800 4.102 -0.302 18282 779 1 2 . 1 1 34 34 PHE C C 35 176.355 176.355 177.019 -0.664 18282 780 1 2 . 1 1 34 34 PHE CA C 35 61.813 61.813 62.005 -0.192 18282 781 1 2 . 1 1 34 34 PHE CB C 35 37.164 37.164 39.129 -1.965 18282 782 1 2 . 1 1 35 35 ASP N N 36 119.969 119.969 119.680 0.289 18282 783 1 2 . 1 1 35 35 ASP C C 36 177.087 177.087 178.724 -1.637 18282 784 1 2 . 1 1 35 35 ASP CA C 36 58.278 58.278 56.967 1.311 18282 785 1 2 . 1 1 35 35 ASP CB C 36 39.578 39.578 40.367 -0.789 18282 786 1 2 . 1 1 35 35 ASP H H 36 8.338 8.338 7.931 0.407 18282 787 1 2 . 1 1 36 36 PHE N N 37 122.901 122.901 121.235 1.666 18282 788 1 2 . 1 1 36 36 PHE C C 37 178.788 178.788 177.067 1.721 18282 789 1 2 . 1 1 36 36 PHE CA C 37 61.416 61.416 61.327 0.089 18282 790 1 2 . 1 1 36 36 PHE CB C 37 38.369 38.369 39.207 -0.838 18282 791 1 2 . 1 1 36 36 PHE H H 37 7.860 7.860 8.249 -0.389 18282 792 1 2 . 1 1 37 37 VAL N N 38 122.329 122.329 113.548 8.781 18282 793 1 2 . 1 1 37 37 VAL HA H 38 3.100 3.100 3.614 -0.514 18282 794 1 2 . 1 1 37 37 VAL C C 38 176.147 176.147 177.512 -1.365 18282 795 1 2 . 1 1 37 37 VAL CA C 38 67.153 67.153 64.851 2.302 18282 796 1 2 . 1 1 37 37 VAL CB C 38 30.625 30.625 31.542 -0.917 18282 797 1 2 . 1 1 37 37 VAL H H 38 8.451 8.451 7.478 0.973 18282 798 1 2 . 1 1 38 38 LYS N N 39 118.837 118.837 119.724 -0.887 18282 799 1 2 . 1 1 38 38 LYS HA H 39 3.473 3.473 3.886 -0.413 18282 800 1 2 . 1 1 38 38 LYS C C 39 176.361 176.361 177.823 -1.462 18282 801 1 2 . 1 1 38 38 LYS CA C 39 59.519 59.519 59.228 0.291 18282 802 1 2 . 1 1 38 38 LYS CB C 39 31.628 31.628 32.082 -0.454 18282 803 1 2 . 1 1 38 38 LYS H H 39 7.581 7.581 7.574 0.007 18282 804 1 2 . 1 1 39 39 ASP N N 40 116.210 116.210 118.350 -2.140 18282 805 1 2 . 1 1 39 39 ASP HA H 40 4.261 4.261 4.405 -0.144 18282 806 1 2 . 1 1 39 39 ASP CA C 40 56.580 56.580 56.844 -0.265 18282 807 1 2 . 1 1 39 39 ASP CB C 40 40.977 40.977 40.903 0.074 18282 808 1 2 . 1 1 39 39 ASP H H 40 8.052 8.052 7.813 0.239 18282 809 1 2 . 1 1 40 40 THR N N 41 109.215 109.215 108.454 0.761 18282 810 1 2 . 1 1 40 40 THR C C 41 174.559 174.559 174.339 0.220 18282 811 1 2 . 1 1 40 40 THR H H 41 7.232 7.232 7.973 -0.741 18282 812 1 2 . 1 1 41 41 CYS N N 42 117.927 117.927 120.464 -2.537 18282 813 1 2 . 1 1 41 41 CYS CA C 42 55.865 55.865 57.923 -2.058 18282 814 1 2 . 1 1 41 41 CYS CB C 42 28.500 28.500 24.508 3.992 18282 815 1 2 . 1 1 41 41 CYS H H 42 7.197 7.197 8.510 -1.313 18282 816 1 2 . 1 1 42 42 PRO HA H 43 3.987 3.987 3.946 0.041 18282 817 1 2 . 1 1 42 42 PRO C C 43 176.688 176.688 177.364 -0.676 18282 818 1 2 . 1 1 42 42 PRO CA C 43 65.206 65.206 64.588 0.618 18282 819 1 2 . 1 1 42 42 PRO CB C 43 30.767 30.767 31.952 -1.185 18282 820 1 2 . 1 1 43 43 TRP N N 44 113.805 113.805 117.193 -3.388 18282 821 1 2 . 1 1 43 43 TRP HA H 44 4.361 4.361 4.658 -0.297 18282 822 1 2 . 1 1 43 43 TRP C C 44 176.982 176.982 175.480 1.502 18282 823 1 2 . 1 1 43 43 TRP CA C 44 61.758 61.758 57.141 4.617 18282 824 1 2 . 1 1 43 43 TRP CB C 44 27.771 27.771 28.440 -0.669 18282 825 1 2 . 1 1 43 43 TRP H H 44 6.632 6.632 8.011 -1.379 18282 826 1 2 . 1 1 44 44 PHE N N 45 123.019 123.019 115.890 7.129 18282 827 1 2 . 1 1 44 44 PHE HA H 45 4.043 4.043 4.148 -0.105 18282 828 1 2 . 1 1 44 44 PHE CA C 45 62.990 62.990 58.323 4.667 18282 829 1 2 . 1 1 44 44 PHE CB C 45 35.109 35.109 36.480 -1.371 18282 830 1 2 . 1 1 44 44 PHE H H 45 7.302 7.302 7.129 0.173 18282 831 1 2 . 1 1 45 45 PRO HA H 46 4.015 4.015 4.058 -0.043 18282 832 1 2 . 1 1 45 45 PRO C C 46 176.462 176.462 177.045 -0.583 18282 833 1 2 . 1 1 45 45 PRO CA C 46 64.582 64.582 64.288 0.294 18282 834 1 2 . 1 1 45 45 PRO CB C 46 30.254 30.254 31.347 -1.093 18282 835 1 2 . 1 1 46 46 GLN N N 47 114.404 114.404 117.858 -3.454 18282 836 1 2 . 1 1 46 46 GLN HA H 47 3.941 3.941 4.116 -0.175 18282 837 1 2 . 1 1 46 46 GLN C C 47 177.234 177.234 177.219 0.015 18282 838 1 2 . 1 1 46 46 GLN CA C 47 58.328 58.328 58.177 0.151 18282 839 1 2 . 1 1 46 46 GLN CB C 47 28.471 28.471 28.390 0.082 18282 840 1 2 . 1 1 46 46 GLN H H 47 6.544 6.544 8.548 -2.004 18282 841 1 2 . 1 1 47 47 GLU N N 48 117.356 117.356 117.941 -0.585 18282 842 1 2 . 1 1 47 47 GLU HA H 48 4.085 4.085 4.274 -0.189 18282 843 1 2 . 1 1 47 47 GLU C C 48 179.130 179.130 176.801 2.329 18282 844 1 2 . 1 1 47 47 GLU CA C 48 58.215 58.215 56.543 1.672 18282 845 1 2 . 1 1 47 47 GLU CB C 48 29.247 29.247 31.474 -2.227 18282 846 1 2 . 1 1 47 47 GLU H H 48 7.710 7.710 7.817 -0.107 18282 847 1 2 . 1 1 48 48 GLY N N 49 105.456 105.456 107.663 -2.207 18282 848 1 2 . 1 1 48 48 GLY C C 49 171.006 171.006 173.542 -2.536 18282 849 1 2 . 1 1 48 48 GLY CA C 49 47.085 47.085 44.940 2.145 18282 850 1 2 . 1 1 48 48 GLY H H 49 7.296 7.296 7.863 -0.567 18282 851 1 2 . 1 1 49 49 THR N N 50 114.015 114.015 115.440 -1.425 18282 852 1 2 . 1 1 49 49 THR HA H 50 4.248 4.248 4.692 -0.444 18282 853 1 2 . 1 1 49 49 THR CA C 50 61.830 61.830 59.709 2.121 18282 854 1 2 . 1 1 49 49 THR CB C 50 70.692 70.692 71.676 -0.984 18282 855 1 2 . 1 1 49 49 THR H H 50 7.599 7.599 7.533 0.066 18282 856 1 2 . 1 1 50 50 ILE HA H 51 4.135 4.135 4.618 -0.483 18282 857 1 2 . 1 1 50 50 ILE C C 51 172.608 172.608 174.830 -2.222 18282 858 1 2 . 1 1 50 50 ILE CA C 51 59.075 59.075 61.135 -2.060 18282 859 1 2 . 1 1 50 50 ILE CB C 51 35.416 35.416 39.808 -4.392 18282 860 1 2 . 1 1 51 51 ASP N N 52 121.859 121.859 126.711 -4.852 18282 861 1 2 . 1 1 51 51 ASP HA H 52 4.625 4.625 5.018 -0.393 18282 862 1 2 . 1 1 51 51 ASP C C 52 175.770 175.770 175.659 0.111 18282 863 1 2 . 1 1 51 51 ASP CA C 52 51.634 51.634 53.438 -1.804 18282 864 1 2 . 1 1 51 51 ASP CB C 52 42.528 42.528 42.285 0.243 18282 865 1 2 . 1 1 51 51 ASP H H 52 7.176 7.176 9.395 -2.219 18282 866 1 2 . 1 1 52 52 ILE N N 53 119.549 119.549 122.151 -2.602 18282 867 1 2 . 1 1 52 52 ILE HA H 53 4.150 4.150 4.429 -0.279 18282 868 1 2 . 1 1 52 52 ILE C C 53 176.961 176.961 177.158 -0.197 18282 869 1 2 . 1 1 52 52 ILE CA C 53 61.899 61.899 62.633 -0.734 18282 870 1 2 . 1 1 52 52 ILE CB C 53 37.700 37.700 39.237 -1.538 18282 871 1 2 . 1 1 52 52 ILE H H 53 8.777 8.777 8.758 0.019 18282 872 1 2 . 1 1 53 53 LYS N N 54 123.515 123.515 120.906 2.609 18282 873 1 2 . 1 1 53 53 LYS HA H 54 4.116 4.116 4.242 -0.126 18282 874 1 2 . 1 1 53 53 LYS C C 54 180.448 180.448 178.802 1.646 18282 875 1 2 . 1 1 53 53 LYS CA C 54 59.934 59.934 59.792 0.142 18282 876 1 2 . 1 1 53 53 LYS CB C 54 31.875 31.875 32.035 -0.160 18282 877 1 2 . 1 1 53 53 LYS H H 54 8.106 8.106 8.437 -0.331 18282 878 1 2 . 1 1 54 54 ARG N N 55 120.371 120.371 120.323 0.048 18282 879 1 2 . 1 1 54 54 ARG HA H 55 4.422 4.422 4.048 0.374 18282 880 1 2 . 1 1 54 54 ARG C C 55 179.159 179.159 178.162 0.997 18282 881 1 2 . 1 1 54 54 ARG CA C 55 59.726 59.726 59.120 0.606 18282 882 1 2 . 1 1 54 54 ARG CB C 55 37.368 37.368 29.777 7.591 18282 883 1 2 . 1 1 54 54 ARG H H 55 9.183 9.183 8.634 0.549 18282 884 1 2 . 1 1 55 55 TRP N N 56 120.755 120.755 119.766 0.989 18282 885 1 2 . 1 1 55 55 TRP HA H 56 4.747 4.747 3.930 0.817 18282 886 1 2 . 1 1 55 55 TRP C C 56 179.954 179.954 176.977 2.977 18282 887 1 2 . 1 1 55 55 TRP CA C 56 60.105 60.105 59.874 0.231 18282 888 1 2 . 1 1 55 55 TRP CB C 56 29.997 29.997 29.014 0.983 18282 889 1 2 . 1 1 55 55 TRP H H 56 8.927 8.927 8.429 0.498 18282 890 1 2 . 1 1 56 56 ARG N N 57 122.194 122.194 118.495 3.699 18282 891 1 2 . 1 1 56 56 ARG HA H 57 4.406 4.406 3.519 0.887 18282 892 1 2 . 1 1 56 56 ARG C C 57 178.101 178.101 178.707 -0.606 18282 893 1 2 . 1 1 56 56 ARG CA C 57 60.198 60.198 59.355 0.843 18282 894 1 2 . 1 1 56 56 ARG CB C 57 29.585 29.585 29.693 -0.108 18282 895 1 2 . 1 1 56 56 ARG H H 57 9.220 9.220 7.516 1.704 18282 896 1 2 . 1 1 57 57 ARG N N 58 120.674 120.674 119.784 0.890 18282 897 1 2 . 1 1 57 57 ARG HA H 58 4.186 4.186 3.945 0.241 18282 898 1 2 . 1 1 57 57 ARG C C 58 179.445 179.445 178.647 0.798 18282 899 1 2 . 1 1 57 57 ARG CA C 58 59.832 59.832 59.566 0.265 18282 900 1 2 . 1 1 57 57 ARG CB C 58 29.753 29.753 30.000 -0.247 18282 901 1 2 . 1 1 57 57 ARG H H 58 7.605 7.605 7.400 0.205 18282 902 1 2 . 1 1 58 58 VAL N N 59 121.833 121.833 119.126 2.707 18282 903 1 2 . 1 1 58 58 VAL HA H 59 3.675 3.675 3.710 -0.035 18282 904 1 2 . 1 1 58 58 VAL C C 59 176.565 176.565 177.131 -0.566 18282 905 1 2 . 1 1 58 58 VAL CA C 59 65.920 65.920 65.418 0.502 18282 906 1 2 . 1 1 58 58 VAL CB C 59 30.785 30.785 31.514 -0.729 18282 907 1 2 . 1 1 58 58 VAL H H 59 7.819 7.819 7.365 0.454 18282 908 1 2 . 1 1 59 59 GLY N N 60 106.521 106.521 106.701 -0.180 18282 909 1 2 . 1 1 59 59 GLY C C 60 175.923 175.923 175.651 0.272 18282 910 1 2 . 1 1 59 59 GLY CA C 60 45.982 45.982 47.184 -1.202 18282 911 1 2 . 1 1 59 59 GLY H H 60 7.540 7.540 7.729 -0.189 18282 912 1 2 . 1 1 60 60 ASP N N 61 123.066 123.066 123.294 -0.228 18282 913 1 2 . 1 1 60 60 ASP HA H 61 4.261 4.261 4.481 -0.220 18282 914 1 2 . 1 1 60 60 ASP C C 61 178.537 178.537 178.669 -0.132 18282 915 1 2 . 1 1 60 60 ASP CA C 61 56.907 56.907 57.215 -0.308 18282 916 1 2 . 1 1 60 60 ASP CB C 61 39.654 39.654 40.200 -0.546 18282 917 1 2 . 1 1 60 60 ASP H H 61 8.197 8.197 8.357 -0.160 18282 918 1 2 . 1 1 61 61 CYS N N 62 121.005 121.005 119.403 1.602 18282 919 1 2 . 1 1 61 61 CYS C C 62 177.083 177.083 176.730 0.353 18282 920 1 2 . 1 1 61 61 CYS CA C 62 62.380 62.380 64.264 -1.885 18282 921 1 2 . 1 1 61 61 CYS CB C 62 26.011 26.011 27.241 -1.230 18282 922 1 2 . 1 1 61 61 CYS H H 62 7.858 7.858 7.562 0.296 18282 923 1 2 . 1 1 62 62 PHE N N 63 119.362 119.362 118.709 0.653 18282 924 1 2 . 1 1 62 62 PHE HA H 63 4.117 4.117 4.318 -0.201 18282 925 1 2 . 1 1 62 62 PHE C C 63 178.081 178.081 178.186 -0.105 18282 926 1 2 . 1 1 62 62 PHE CA C 63 57.843 57.843 62.385 -4.542 18282 927 1 2 . 1 1 62 62 PHE CB C 63 36.605 36.605 38.830 -2.224 18282 928 1 2 . 1 1 62 62 PHE H H 63 8.530 8.530 8.001 0.529 18282 929 1 2 . 1 1 63 63 GLN N N 64 118.829 118.829 120.057 -1.228 18282 930 1 2 . 1 1 63 63 GLN HA H 64 4.199 4.199 4.073 0.126 18282 931 1 2 . 1 1 63 63 GLN C C 64 177.645 177.645 177.855 -0.210 18282 932 1 2 . 1 1 63 63 GLN CA C 64 59.094 59.094 59.460 -0.366 18282 933 1 2 . 1 1 63 63 GLN CB C 64 28.337 28.337 28.537 -0.200 18282 934 1 2 . 1 1 63 63 GLN H H 64 8.236 8.236 8.776 -0.540 18282 935 1 2 . 1 1 64 64 ASP N N 65 120.234 120.234 120.645 -0.411 18282 936 1 2 . 1 1 64 64 ASP HA H 65 4.481 4.481 4.315 0.166 18282 937 1 2 . 1 1 64 64 ASP CA C 65 57.301 57.301 57.069 0.232 18282 938 1 2 . 1 1 64 64 ASP CB C 65 40.773 40.773 40.419 0.354 18282 939 1 2 . 1 1 64 64 ASP H H 65 8.257 8.257 8.033 0.224 18282 940 1 2 . 1 1 65 65 TYR HA H 66 4.598 4.598 4.250 0.348 18282 941 1 2 . 1 1 65 65 TYR C C 66 178.524 178.524 178.553 -0.029 18282 942 1 2 . 1 1 65 65 TYR CA C 66 60.355 60.355 61.453 -1.099 18282 943 1 2 . 1 1 65 65 TYR CB C 66 37.796 37.796 38.495 -0.699 18282 944 1 2 . 1 1 66 66 TYR N N 67 122.741 122.741 120.148 2.593 18282 945 1 2 . 1 1 66 66 TYR HA H 67 4.044 4.044 4.397 -0.353 18282 946 1 2 . 1 1 66 66 TYR C C 67 178.220 178.220 178.274 -0.054 18282 947 1 2 . 1 1 66 66 TYR CA C 67 61.726 61.726 61.664 0.062 18282 948 1 2 . 1 1 66 66 TYR CB C 67 38.932 38.932 38.861 0.071 18282 949 1 2 . 1 1 66 66 TYR H H 67 9.083 9.083 8.709 0.374 18282 950 1 2 . 1 1 67 67 ASN N N 68 118.530 118.530 118.026 0.504 18282 951 1 2 . 1 1 67 67 ASN HA H 68 4.378 4.378 4.433 -0.055 18282 952 1 2 . 1 1 67 67 ASN C C 68 176.633 176.633 177.635 -1.002 18282 953 1 2 . 1 1 67 67 ASN CA C 68 55.293 55.293 55.938 -0.645 18282 954 1 2 . 1 1 67 67 ASN CB C 68 37.860 37.860 38.116 -0.256 18282 955 1 2 . 1 1 67 67 ASN H H 68 8.796 8.796 8.781 0.015 18282 956 1 2 . 1 1 68 68 THR N N 69 114.328 114.328 113.990 0.338 18282 957 1 2 . 1 1 68 68 THR HA H 69 3.872 3.872 3.889 -0.017 18282 958 1 2 . 1 1 68 68 THR C C 69 174.832 174.832 176.032 -1.200 18282 959 1 2 . 1 1 68 68 THR CA C 69 65.224 65.224 64.877 0.347 18282 960 1 2 . 1 1 68 68 THR CB C 69 69.484 69.484 68.531 0.953 18282 961 1 2 . 1 1 68 68 THR H H 69 7.960 7.960 7.798 0.162 18282 962 1 2 . 1 1 69 69 PHE N N 70 118.107 118.107 120.650 -2.543 18282 963 1 2 . 1 1 69 69 PHE HA H 70 4.626 4.626 4.267 0.359 18282 964 1 2 . 1 1 69 69 PHE C C 70 176.495 176.495 176.692 -0.197 18282 965 1 2 . 1 1 69 69 PHE CA C 70 58.409 58.409 59.197 -0.788 18282 966 1 2 . 1 1 69 69 PHE CB C 70 40.742 40.742 39.433 1.309 18282 967 1 2 . 1 1 69 69 PHE H H 70 8.591 8.591 7.508 1.083 18282 968 1 2 . 1 1 70 70 GLY N N 71 109.309 109.309 106.431 2.878 18282 969 1 2 . 1 1 70 70 GLY CA C 71 44.684 44.684 44.463 0.221 18282 970 1 2 . 1 1 70 70 GLY H H 71 7.893 7.893 7.811 0.082 18282 971 1 2 . 1 1 71 71 PRO HA H 72 4.691 4.691 4.529 0.162 18282 972 1 2 . 1 1 71 71 PRO C C 72 177.772 177.772 176.549 1.223 18282 973 1 2 . 1 1 71 71 PRO CA C 72 63.458 63.458 62.478 0.980 18282 974 1 2 . 1 1 71 71 PRO CB C 72 31.823 31.823 32.047 -0.224 18282 975 1 2 . 1 1 72 72 GLU N N 73 117.421 117.421 123.414 -5.993 18282 976 1 2 . 1 1 72 72 GLU HA H 73 4.061 4.061 4.249 -0.188 18282 977 1 2 . 1 1 72 72 GLU C C 73 177.236 177.236 177.550 -0.314 18282 978 1 2 . 1 1 72 72 GLU CA C 73 58.570 58.570 58.497 0.073 18282 979 1 2 . 1 1 72 72 GLU CB C 73 28.853 28.853 29.214 -0.361 18282 980 1 2 . 1 1 72 72 GLU H H 73 8.595 8.595 8.796 -0.201 18282 981 1 2 . 1 1 73 73 LYS N N 74 116.846 116.846 120.037 -3.191 18282 982 1 2 . 1 1 73 73 LYS HA H 74 4.381 4.381 4.166 0.215 18282 983 1 2 . 1 1 73 73 LYS C C 74 175.662 175.662 176.777 -1.115 18282 984 1 2 . 1 1 73 73 LYS CA C 74 55.263 55.263 57.216 -1.953 18282 985 1 2 . 1 1 73 73 LYS CB C 74 33.891 33.891 31.948 1.943 18282 986 1 2 . 1 1 73 73 LYS H H 74 7.493 7.493 8.105 -0.612 18282 987 1 2 . 1 1 74 74 VAL N N 75 118.056 118.056 121.328 -3.272 18282 988 1 2 . 1 1 74 74 VAL HA H 75 4.423 4.423 4.132 0.291 18282 989 1 2 . 1 1 74 74 VAL CA C 75 58.438 58.438 62.503 -4.065 18282 990 1 2 . 1 1 74 74 VAL CB C 75 33.763 33.763 31.099 2.664 18282 991 1 2 . 1 1 74 74 VAL H H 75 7.342 7.342 8.305 -0.963 18282 992 1 2 . 1 1 75 75 PRO HA H 76 4.585 4.585 4.429 0.156 18282 993 1 2 . 1 1 75 75 PRO C C 76 178.543 178.543 177.960 0.583 18282 994 1 2 . 1 1 75 75 PRO CA C 76 61.911 61.911 63.396 -1.485 18282 995 1 2 . 1 1 75 75 PRO CB C 76 32.035 32.035 32.384 -0.349 18282 996 1 2 . 1 1 76 76 VAL N N 77 119.825 119.825 123.822 -3.997 18282 997 1 2 . 1 1 76 76 VAL HA H 77 3.921 3.921 3.960 -0.039 18282 998 1 2 . 1 1 76 76 VAL CA C 77 65.316 65.316 64.213 1.103 18282 999 1 2 . 1 1 76 76 VAL CB C 77 31.316 31.316 31.737 -0.421 18282 1000 1 2 . 1 1 76 76 VAL H H 77 8.604 8.604 8.678 -0.074 18282 1001 1 2 . 1 1 77 77 THR N N 78 109.390 109.390 110.780 -1.390 18282 1002 1 2 . 1 1 77 77 THR HA H 78 3.914 3.914 3.969 -0.055 18282 1003 1 2 . 1 1 77 77 THR C C 78 175.732 175.732 175.886 -0.154 18282 1004 1 2 . 1 1 77 77 THR CA C 78 62.803 62.803 65.314 -2.511 18282 1005 1 2 . 1 1 77 77 THR CB C 78 68.357 68.357 68.463 -0.106 18282 1006 1 2 . 1 1 77 77 THR H H 78 7.380 7.380 8.370 -0.990 18282 1007 1 2 . 1 1 78 78 ALA N N 79 123.661 123.661 124.450 -0.789 18282 1008 1 2 . 1 1 78 78 ALA HA H 79 4.001 4.001 4.218 -0.217 18282 1009 1 2 . 1 1 78 78 ALA C C 79 179.527 179.527 179.142 0.385 18282 1010 1 2 . 1 1 78 78 ALA CA C 79 55.091 55.091 54.872 0.219 18282 1011 1 2 . 1 1 78 78 ALA CB C 79 17.561 17.561 18.555 -0.994 18282 1012 1 2 . 1 1 78 78 ALA H H 79 7.811 7.811 7.537 0.274 18282 1013 1 2 . 1 1 79 79 PHE N N 80 114.258 114.258 119.398 -5.140 18282 1014 1 2 . 1 1 79 79 PHE HA H 80 4.452 4.452 4.336 0.116 18282 1015 1 2 . 1 1 79 79 PHE C C 80 178.586 178.586 177.124 1.462 18282 1016 1 2 . 1 1 79 79 PHE CA C 80 61.656 61.656 60.545 1.111 18282 1017 1 2 . 1 1 79 79 PHE CB C 80 37.694 37.694 39.358 -1.664 18282 1018 1 2 . 1 1 79 79 PHE H H 80 7.306 7.306 9.082 -1.776 18282 1019 1 2 . 1 1 80 80 SER N N 81 116.865 116.865 116.284 0.581 18282 1020 1 2 . 1 1 80 80 SER CA C 81 61.824 61.824 61.953 -0.129 18282 1021 1 2 . 1 1 80 80 SER H H 81 7.733 7.733 7.913 -0.180 18282 1022 1 2 . 1 1 81 81 TYR N N 82 121.932 121.932 122.255 -0.323 18282 1023 1 2 . 1 1 81 81 TYR HA H 82 4.133 4.133 4.087 0.046 18282 1024 1 2 . 1 1 81 81 TYR C C 82 177.701 177.701 177.493 0.208 18282 1025 1 2 . 1 1 81 81 TYR CA C 82 60.027 60.027 61.927 -1.900 18282 1026 1 2 . 1 1 81 81 TYR CB C 82 34.104 34.104 38.283 -4.179 18282 1027 1 2 . 1 1 81 81 TYR H H 82 8.151 8.151 7.551 0.600 18282 1028 1 2 . 1 1 82 82 TRP N N 83 120.817 120.817 120.004 0.813 18282 1029 1 2 . 1 1 82 82 TRP HA H 83 4.436 4.436 4.272 0.164 18282 1030 1 2 . 1 1 82 82 TRP CA C 83 63.975 63.975 61.447 2.528 18282 1031 1 2 . 1 1 82 82 TRP CB C 83 28.557 28.557 29.333 -0.776 18282 1032 1 2 . 1 1 82 82 TRP H H 83 8.645 8.645 8.135 0.510 18282 1033 1 2 . 1 1 83 83 ASN HA H 84 4.230 4.230 3.896 0.334 18282 1034 1 2 . 1 1 83 83 ASN C C 84 176.140 176.140 177.576 -1.436 18282 1035 1 2 . 1 1 83 83 ASN CA C 84 56.683 56.683 55.922 0.761 18282 1036 1 2 . 1 1 83 83 ASN CB C 84 39.116 39.116 37.593 1.523 18282 1037 1 2 . 1 1 84 84 LEU N N 85 121.884 121.884 121.943 -0.059 18282 1038 1 2 . 1 1 84 84 LEU HA H 85 4.054 4.054 4.074 -0.020 18282 1039 1 2 . 1 1 84 84 LEU C C 85 178.369 178.369 178.241 0.128 18282 1040 1 2 . 1 1 84 84 LEU CA C 85 58.228 58.228 57.654 0.574 18282 1041 1 2 . 1 1 84 84 LEU CB C 85 41.576 41.576 41.822 -0.246 18282 1042 1 2 . 1 1 84 84 LEU H H 85 7.751 7.751 7.728 0.023 18282 1043 1 2 . 1 1 85 85 ILE N N 86 116.825 116.825 119.222 -2.397 18282 1044 1 2 . 1 1 85 85 ILE HA H 86 3.462 3.462 3.570 -0.108 18282 1045 1 2 . 1 1 85 85 ILE C C 86 176.809 176.809 177.976 -1.167 18282 1046 1 2 . 1 1 85 85 ILE CA C 86 61.345 61.345 65.495 -4.150 18282 1047 1 2 . 1 1 85 85 ILE CB C 86 34.099 34.099 37.662 -3.563 18282 1048 1 2 . 1 1 85 85 ILE H H 86 7.952 7.952 8.523 -0.571 18282 1049 1 2 . 1 1 86 86 LYS N N 87 121.846 121.846 119.991 1.855 18282 1050 1 2 . 1 1 86 86 LYS HA H 87 3.231 3.231 3.725 -0.494 18282 1051 1 2 . 1 1 86 86 LYS C C 87 177.221 177.221 177.990 -0.769 18282 1052 1 2 . 1 1 86 86 LYS CA C 87 60.033 60.033 59.675 0.358 18282 1053 1 2 . 1 1 86 86 LYS CB C 87 31.005 31.005 31.672 -0.666 18282 1054 1 2 . 1 1 86 86 LYS H H 87 7.876 7.876 7.749 0.127 18282 1055 1 2 . 1 1 87 87 GLU N N 88 116.331 116.331 119.458 -3.127 18282 1056 1 2 . 1 1 87 87 GLU HA H 88 3.861 3.861 4.294 -0.433 18282 1057 1 2 . 1 1 87 87 GLU C C 88 178.810 178.810 178.708 0.102 18282 1058 1 2 . 1 1 87 87 GLU CA C 88 58.949 58.949 58.161 0.788 18282 1059 1 2 . 1 1 87 87 GLU CB C 88 29.221 29.221 28.673 0.548 18282 1060 1 2 . 1 1 87 87 GLU H H 88 7.679 7.679 7.509 0.170 18282 1061 1 2 . 1 1 88 88 LEU N N 89 118.090 118.090 121.837 -3.747 18282 1062 1 2 . 1 1 88 88 LEU HA H 89 3.909 3.909 4.045 -0.136 18282 1063 1 2 . 1 1 88 88 LEU CA C 89 57.688 57.688 57.623 0.065 18282 1064 1 2 . 1 1 88 88 LEU CB C 89 41.436 41.436 41.667 -0.231 18282 1065 1 2 . 1 1 88 88 LEU H H 89 7.441 7.441 7.972 -0.531 18282 1066 1 2 . 1 1 89 89 ILE HA H 90 3.344 3.344 3.701 -0.357 18282 1067 1 2 . 1 1 89 89 ILE CA C 90 65.082 65.082 64.466 0.616 18282 1068 1 2 . 1 1 89 89 ILE CB C 90 37.556 37.556 38.017 -0.461 18282 1069 1 2 . 1 1 90 90 ASP HA H 91 3.894 3.894 4.336 -0.442 18282 1070 1 2 . 1 1 90 90 ASP CA C 91 57.678 57.678 56.174 1.504 18282 1071 1 2 . 1 1 90 90 ASP CB C 91 40.546 40.546 40.607 -0.061 18282 1072 1 2 . 1 1 91 91 LYS N N 92 119.422 119.422 118.826 0.596 18282 1073 1 2 . 1 1 91 91 LYS CA C 92 54.600 54.600 56.347 -1.747 18282 1074 1 2 . 1 1 91 91 LYS CB C 92 32.014 32.014 33.174 -1.160 18282 1075 1 2 . 1 1 91 91 LYS H H 92 7.903 7.903 7.473 0.430 18282 1076 1 2 . 1 1 92 92 LYS HA H 93 4.541 4.541 4.191 0.350 18282 1077 1 2 . 1 1 92 92 LYS CA C 93 55.202 55.202 56.854 -1.652 18282 1078 1 2 . 1 1 92 92 LYS CB C 93 31.758 31.758 31.935 -0.177 18282 1079 1 2 . 1 1 93 93 GLU N N 94 115.922 115.922 117.832 -1.910 18282 1080 1 2 . 1 1 93 93 GLU HA H 94 4.283 4.283 4.136 0.147 18282 1081 1 2 . 1 1 93 93 GLU C C 94 175.613 175.613 176.876 -1.263 18282 1082 1 2 . 1 1 93 93 GLU CA C 94 56.296 56.296 57.557 -1.261 18282 1083 1 2 . 1 1 93 93 GLU CB C 94 29.415 29.415 29.916 -0.501 18282 1084 1 2 . 1 1 93 93 GLU H H 94 8.140 8.140 8.231 -0.091 18282 1085 1 2 . 1 1 94 94 VAL N N 95 121.304 121.304 117.381 3.923 18282 1086 1 2 . 1 1 94 94 VAL HA H 95 3.773 3.773 3.990 -0.217 18282 1087 1 2 . 1 1 94 94 VAL CA C 95 62.257 62.257 62.319 -0.062 18282 1088 1 2 . 1 1 94 94 VAL CB C 95 32.047 32.047 32.260 -0.213 18282 1089 1 2 . 1 1 94 94 VAL H H 95 8.003 8.003 7.318 0.685 18282 1090 1 2 . 1 1 95 95 ASN H H 96 7.518 7.518 8.212 -0.694 18282 1091 1 2 . 1 1 96 96 PRO HA H 97 4.319 4.319 4.187 0.132 18282 1092 1 2 . 1 1 96 96 PRO C C 97 179.088 179.088 177.804 1.284 18282 1093 1 2 . 1 1 96 96 PRO CA C 97 64.963 64.963 65.040 -0.077 18282 1094 1 2 . 1 1 96 96 PRO CB C 97 32.035 32.035 31.430 0.605 18282 1095 1 2 . 1 1 97 97 GLN N N 98 117.793 117.793 116.150 1.643 18282 1096 1 2 . 1 1 97 97 GLN HA H 98 3.952 3.952 3.983 -0.031 18282 1097 1 2 . 1 1 97 97 GLN C C 98 179.272 179.272 177.012 2.260 18282 1098 1 2 . 1 1 97 97 GLN CA C 98 55.691 55.691 58.342 -2.651 18282 1099 1 2 . 1 1 97 97 GLN CB C 98 28.378 28.378 27.320 1.058 18282 1100 1 2 . 1 1 97 97 GLN H H 98 8.351 8.351 8.441 -0.090 18282 1101 1 2 . 1 1 98 98 VAL N N 99 121.247 121.247 120.166 1.081 18282 1102 1 2 . 1 1 98 98 VAL HA H 99 3.440 3.440 3.861 -0.421 18282 1103 1 2 . 1 1 98 98 VAL CA C 99 67.776 67.776 65.454 2.322 18282 1104 1 2 . 1 1 98 98 VAL CB C 99 31.574 31.574 31.386 0.188 18282 1105 1 2 . 1 1 98 98 VAL H H 99 7.901 7.901 7.579 0.322 18282 1106 1 2 . 1 1 100 100 ALA HA H 101 4.218 4.218 4.046 0.172 18282 1107 1 2 . 1 1 100 100 ALA C C 101 179.599 179.599 179.108 0.491 18282 1108 1 2 . 1 1 100 100 ALA CA C 101 54.685 54.685 54.644 0.041 18282 1109 1 2 . 1 1 100 100 ALA CB C 101 17.562 17.562 17.873 -0.311 18282 1110 1 2 . 1 1 101 101 ALA N N 102 119.533 119.533 121.174 -1.641 18282 1111 1 2 . 1 1 101 101 ALA HA H 102 4.005 4.005 3.978 0.027 18282 1112 1 2 . 1 1 101 101 ALA C C 102 180.970 180.970 179.208 1.762 18282 1113 1 2 . 1 1 101 101 ALA CA C 102 55.013 55.013 54.222 0.791 18282 1114 1 2 . 1 1 101 101 ALA CB C 102 17.422 17.422 18.108 -0.686 18282 1115 1 2 . 1 1 101 101 ALA H H 102 7.559 7.559 7.633 -0.074 18282 1116 1 2 . 1 1 102 102 VAL N N 103 122.669 122.669 117.881 4.788 18282 1117 1 2 . 1 1 102 102 VAL HA H 103 4.087 4.087 3.523 0.564 18282 1118 1 2 . 1 1 102 102 VAL C C 103 175.666 175.666 176.735 -1.069 18282 1119 1 2 . 1 1 102 102 VAL CA C 103 61.850 61.850 65.212 -3.362 18282 1120 1 2 . 1 1 102 102 VAL CB C 103 32.576 32.576 30.947 1.629 18282 1121 1 2 . 1 1 102 102 VAL H H 103 8.851 8.851 7.727 1.124 18282 1122 1 2 . 1 1 103 103 ALA N N 104 128.048 128.048 119.305 8.743 18282 1123 1 2 . 1 1 103 103 ALA HA H 104 4.288 4.288 4.029 0.259 18282 1124 1 2 . 1 1 103 103 ALA C C 104 177.344 177.344 177.274 0.070 18282 1125 1 2 . 1 1 103 103 ALA CA C 104 52.194 52.194 53.528 -1.334 18282 1126 1 2 . 1 1 103 103 ALA CB C 104 19.021 19.021 19.266 -0.245 18282 1127 1 2 . 1 1 103 103 ALA H H 104 8.374 8.374 7.679 0.695 18282 1128 1 2 . 1 1 104 104 GLN N N 105 120.285 120.285 115.163 5.122 18282 1129 1 2 . 1 1 104 104 GLN HA H 105 4.281 4.281 3.879 0.402 18282 1130 1 2 . 1 1 104 104 GLN CA C 105 55.656 55.656 57.442 -1.786 18282 1131 1 2 . 1 1 104 104 GLN CB C 105 32.581 32.581 27.699 4.882 18282 1132 1 2 . 1 1 104 104 GLN H H 105 8.374 8.374 7.659 0.715 18282 1133 1 2 . 1 1 105 105 THR HA H 106 4.293 4.293 4.568 -0.275 18282 1134 1 2 . 1 1 105 105 THR C C 106 174.384 174.384 174.436 -0.052 18282 1135 1 2 . 1 1 105 105 THR CA C 106 61.663 61.663 61.857 -0.194 18282 1136 1 2 . 1 1 105 105 THR CB C 106 69.458 69.458 69.273 0.185 18282 1137 1 2 . 1 1 106 106 GLU N N 107 122.744 122.744 125.596 -2.852 18282 1138 1 2 . 1 1 106 106 GLU HA H 107 4.241 4.241 4.446 -0.204 18282 1139 1 2 . 1 1 106 106 GLU C C 107 176.331 176.331 176.234 0.097 18282 1140 1 2 . 1 1 106 106 GLU CA C 107 56.621 56.621 56.092 0.529 18282 1141 1 2 . 1 1 106 106 GLU CB C 107 30.004 30.004 30.545 -0.541 18282 1142 1 2 . 1 1 106 106 GLU H H 107 8.415 8.415 8.538 -0.123 18282 1143 1 2 . 1 1 107 107 GLU N N 108 121.993 121.993 120.071 1.922 18282 1144 1 2 . 1 1 107 107 GLU HA H 108 4.184 4.184 4.616 -0.432 18282 1145 1 2 . 1 1 107 107 GLU C C 108 176.404 176.404 177.335 -0.931 18282 1146 1 2 . 1 1 107 107 GLU CA C 108 56.721 56.721 55.444 1.277 18282 1147 1 2 . 1 1 107 107 GLU CB C 108 29.770 29.770 30.536 -0.766 18282 1148 1 2 . 1 1 107 107 GLU H H 108 8.334 8.334 8.748 -0.414 18282 1149 1 2 . 1 1 108 108 ILE N N 109 122.204 122.204 123.500 -1.296 18282 1150 1 2 . 1 1 108 108 ILE HA H 109 4.052 4.052 3.776 0.276 18282 1151 1 2 . 1 1 108 108 ILE C C 109 176.261 176.261 176.949 -0.688 18282 1152 1 2 . 1 1 108 108 ILE CA C 109 61.245 61.245 63.623 -2.378 18282 1153 1 2 . 1 1 108 108 ILE CB C 109 38.157 38.157 37.650 0.507 18282 1154 1 2 . 1 1 108 108 ILE H H 109 8.068 8.068 9.035 -0.967 18282 1155 1 2 . 1 1 109 109 LEU N N 110 125.608 125.608 121.486 4.122 18282 1156 1 2 . 1 1 109 109 LEU HA H 110 4.295 4.295 3.897 0.398 18282 1157 1 2 . 1 1 109 109 LEU C C 110 177.275 177.275 178.715 -1.440 18282 1158 1 2 . 1 1 109 109 LEU CA C 110 55.103 55.103 57.735 -2.632 18282 1159 1 2 . 1 1 109 109 LEU CB C 110 41.929 41.929 41.252 0.677 18282 1160 1 2 . 1 1 109 109 LEU H H 110 8.187 8.187 7.725 0.462 18282 1161 1 2 . 1 1 110 110 LYS N N 111 122.154 122.154 119.186 2.968 18282 1162 1 2 . 1 1 110 110 LYS HA H 111 4.278 4.278 4.240 0.038 18282 1163 1 2 . 1 1 110 110 LYS C C 111 176.606 176.606 177.746 -1.140 18282 1164 1 2 . 1 1 110 110 LYS CA C 111 56.125 56.125 58.725 -2.600 18282 1165 1 2 . 1 1 110 110 LYS CB C 111 32.423 32.423 32.455 -0.032 18282 1166 1 2 . 1 1 110 110 LYS H H 111 8.206 8.206 8.240 -0.034 18282 1167 1 2 . 1 1 111 111 SER N N 112 116.381 116.381 113.102 3.279 18282 1168 1 2 . 1 1 111 111 SER HA H 112 4.395 4.395 4.247 0.148 18282 1169 1 2 . 1 1 111 111 SER C C 112 175.168 175.168 176.277 -1.109 18282 1170 1 2 . 1 1 111 111 SER CA C 112 58.456 58.456 61.030 -2.574 18282 1171 1 2 . 1 1 111 111 SER CB C 112 63.495 63.495 63.272 0.223 18282 1172 1 2 . 1 1 111 111 SER H H 112 8.217 8.217 7.736 0.481 18282 1173 1 2 . 1 1 112 112 ASN N N 113 119.799 119.799 119.317 0.482 18282 1174 1 2 . 1 1 112 112 ASN HA H 113 4.699 4.699 4.629 0.070 18282 1175 1 2 . 1 1 112 112 ASN C C 113 175.552 175.552 174.933 0.619 18282 1176 1 2 . 1 1 112 112 ASN CA C 113 53.592 53.592 54.718 -1.126 18282 1177 1 2 . 1 1 112 112 ASN CB C 113 38.772 38.772 39.958 -1.186 18282 1178 1 2 . 1 1 112 112 ASN H H 113 7.950 7.950 7.787 0.163 18282 1179 1 2 . 1 1 113 113 SER N N 114 115.430 115.430 111.090 4.340 18282 1180 1 2 . 1 1 113 113 SER HA H 114 4.382 4.382 4.717 -0.335 18282 1181 1 2 . 1 1 113 113 SER C C 114 174.558 174.558 172.612 1.946 18282 1182 1 2 . 1 1 113 113 SER CA C 114 58.919 58.919 57.881 1.038 18282 1183 1 2 . 1 1 113 113 SER CB C 114 63.494 63.494 64.481 -0.987 18282 1184 1 2 . 1 1 113 113 SER H H 114 7.970 7.970 7.825 0.145 18282 1185 1 2 . 1 1 114 114 GLN N N 115 121.973 121.973 120.486 1.487 18282 1186 1 2 . 1 1 114 114 GLN HA H 115 4.347 4.347 4.436 -0.089 18282 1187 1 2 . 1 1 114 114 GLN C C 115 176.246 176.246 176.595 -0.349 18282 1188 1 2 . 1 1 114 114 GLN CA C 115 56.036 56.036 56.529 -0.493 18282 1189 1 2 . 1 1 114 114 GLN CB C 115 29.196 29.196 29.174 0.022 18282 1190 1 2 . 1 1 114 114 GLN H H 115 8.382 8.382 8.769 -0.387 18282 1191 1 2 . 1 1 115 115 THR N N 116 114.701 114.701 111.151 3.550 18282 1192 1 2 . 1 1 115 115 THR HA H 116 4.238 4.238 4.111 0.127 18282 1193 1 2 . 1 1 115 115 THR C C 116 174.276 174.276 175.886 -1.610 18282 1194 1 2 . 1 1 115 115 THR CA C 116 62.221 62.221 64.555 -2.334 18282 1195 1 2 . 1 1 115 115 THR CB C 116 69.405 69.405 68.290 1.115 18282 1196 1 2 . 1 1 115 115 THR H H 116 8.070 8.070 7.952 0.118 18282 1197 1 2 . 1 1 116 116 ASP N N 117 122.566 122.566 121.548 1.018 18282 1198 1 2 . 1 1 116 116 ASP HA H 117 4.575 4.575 4.488 0.087 18282 1199 1 2 . 1 1 116 116 ASP C C 117 176.241 176.241 176.054 0.187 18282 1200 1 2 . 1 1 116 116 ASP CA C 117 54.286 54.286 56.419 -2.134 18282 1201 1 2 . 1 1 116 116 ASP CB C 117 40.609 40.609 40.902 -0.293 18282 1202 1 2 . 1 1 116 116 ASP H H 117 8.288 8.288 8.611 -0.323 18282 1203 1 2 . 1 1 117 117 LEU N N 118 122.118 122.118 119.171 2.947 18282 1204 1 2 . 1 1 117 117 LEU HA H 118 4.163 4.163 4.508 -0.345 18282 1205 1 2 . 1 1 117 117 LEU C C 118 177.637 177.637 176.112 1.525 18282 1206 1 2 . 1 1 117 117 LEU CA C 118 55.475 55.475 54.386 1.089 18282 1207 1 2 . 1 1 117 117 LEU CB C 118 41.964 41.964 42.586 -0.622 18282 1208 1 2 . 1 1 117 117 LEU H H 118 8.088 8.088 7.860 0.228 18282 1209 1 2 . 1 1 118 118 GLU N N 119 119.527 119.527 123.256 -3.729 18282 1210 1 2 . 1 1 118 118 GLU HA H 119 4.086 4.086 4.125 -0.039 18282 1211 1 2 . 1 1 118 118 GLU C C 119 176.265 176.265 175.647 0.618 18282 1212 1 2 . 1 1 118 118 GLU CA C 119 56.569 56.569 57.999 -1.430 18282 1213 1 2 . 1 1 118 118 GLU CB C 119 29.486 29.486 29.864 -0.378 18282 1214 1 2 . 1 1 118 118 GLU H H 119 8.134 8.134 8.517 -0.383 18282 1215 1 2 . 1 1 119 119 HIS N N 120 118.076 118.076 116.788 1.288 18282 1216 1 2 . 1 1 119 119 HIS HA H 120 4.485 4.485 4.715 -0.230 18282 1217 1 2 . 1 1 119 119 HIS CA C 120 55.422 55.422 54.928 0.494 18282 1218 1 2 . 1 1 119 119 HIS CB C 120 28.628 28.628 31.654 -3.026 18282 1219 1 2 . 1 1 119 119 HIS H H 120 8.134 8.134 7.747 0.387 18282 1220 1 2 . 1 1 120 120 HIS N N 121 119.323 119.323 119.725 -0.402 18282 1221 1 2 . 1 1 120 120 HIS HA H 121 4.242 4.242 4.555 -0.313 18282 1222 1 2 . 1 1 120 120 HIS CA C 121 56.732 56.732 55.892 0.841 18282 1223 1 2 . 1 1 120 120 HIS H H 121 8.372 8.372 8.555 -0.183 18282 1224 1 2 . 1 1 121 121 HIS N N 122 126.032 126.032 123.457 2.575 18282 1225 1 2 . 1 1 121 121 HIS CA C 122 57.036 57.036 55.681 1.355 18282 1226 1 2 . 1 1 121 121 HIS CB C 122 29.923 29.923 30.095 -0.172 18282 1227 1 2 . 1 1 121 121 HIS H H 122 7.900 7.900 8.417 -0.517 18282 1228 1 2 . 1 1 122 122 HIS N N 123 121.012 121.012 123.312 -2.300 18282 1229 1 2 . 1 1 122 122 HIS HA H 123 4.595 4.595 4.642 -0.047 18282 1230 1 2 . 1 1 122 122 HIS CA C 123 55.372 55.372 55.105 0.267 18282 1231 1 2 . 1 1 122 122 HIS CB C 123 29.165 29.165 31.733 -2.568 18282 1232 1 2 . 1 1 122 122 HIS H H 123 8.595 8.595 8.197 0.398 18282 1233 1 2 . 1 1 123 123 HIS N N 124 120.343 120.343 120.794 -0.451 18282 1234 1 2 . 1 1 123 123 HIS CA C 124 57.380 57.380 58.256 -0.876 18282 1235 1 2 . 1 1 123 123 HIS CB C 124 35.491 35.491 30.015 5.476 18282 1236 1 2 . 1 1 123 123 HIS H H 124 8.558 8.558 8.605 -0.047 18282 1237 1 3 . 1 1 2 2 GLN N N 3 122.228 122.228 120.178 2.050 18282 1238 1 3 . 1 1 2 2 GLN HA H 3 3.896 3.896 4.109 -0.213 18282 1239 1 3 . 1 1 2 2 GLN C C 3 178.672 178.672 178.015 0.657 18282 1240 1 3 . 1 1 2 2 GLN CA C 3 58.794 58.794 58.373 0.421 18282 1241 1 3 . 1 1 2 2 GLN H H 3 9.310 9.310 8.528 0.782 18282 1242 1 3 . 1 1 3 3 GLU N N 4 119.529 119.529 119.638 -0.109 18282 1243 1 3 . 1 1 3 3 GLU C C 4 175.504 175.504 178.745 -3.241 18282 1244 1 3 . 1 1 3 3 GLU CA C 4 59.561 59.561 58.602 0.959 18282 1245 1 3 . 1 1 3 3 GLU CB C 4 28.876 28.876 28.875 0.000 18282 1246 1 3 . 1 1 3 3 GLU H H 4 8.489 8.489 8.823 -0.334 18282 1247 1 3 . 1 1 4 4 LEU N N 5 114.832 114.832 121.442 -6.610 18282 1248 1 3 . 1 1 4 4 LEU HA H 5 3.716 3.716 3.979 -0.263 18282 1249 1 3 . 1 1 4 4 LEU C C 5 178.276 178.276 177.820 0.456 18282 1250 1 3 . 1 1 4 4 LEU CA C 5 57.813 57.813 57.939 -0.126 18282 1251 1 3 . 1 1 4 4 LEU CB C 5 40.844 40.844 41.845 -1.001 18282 1252 1 3 . 1 1 4 4 LEU H H 5 8.210 8.210 7.655 0.555 18282 1253 1 3 . 1 1 5 5 SER N N 6 109.726 109.726 113.855 -4.129 18282 1254 1 3 . 1 1 5 5 SER HA H 6 4.127 4.127 4.057 0.070 18282 1255 1 3 . 1 1 5 5 SER C C 6 178.508 178.508 177.052 1.456 18282 1256 1 3 . 1 1 5 5 SER CA C 6 60.401 60.401 61.472 -1.071 18282 1257 1 3 . 1 1 5 5 SER CB C 6 63.535 63.535 62.571 0.965 18282 1258 1 3 . 1 1 5 5 SER H H 6 8.247 8.247 7.979 0.268 18282 1259 1 3 . 1 1 6 6 GLN N N 7 117.203 117.203 120.299 -3.096 18282 1260 1 3 . 1 1 6 6 GLN HA H 7 4.026 4.026 4.048 -0.022 18282 1261 1 3 . 1 1 6 6 GLN CA C 7 58.474 58.474 58.520 -0.046 18282 1262 1 3 . 1 1 6 6 GLN H H 7 8.719 8.719 8.739 -0.020 18282 1263 1 3 . 1 1 7 7 HIS C C 8 178.622 178.622 177.511 1.111 18282 1264 1 3 . 1 1 8 8 GLU N N 9 120.357 120.357 118.866 1.491 18282 1265 1 3 . 1 1 8 8 GLU HA H 9 3.969 3.969 4.122 -0.153 18282 1266 1 3 . 1 1 8 8 GLU C C 9 178.408 178.408 179.191 -0.783 18282 1267 1 3 . 1 1 8 8 GLU CA C 9 58.244 58.244 59.681 -1.437 18282 1268 1 3 . 1 1 8 8 GLU CB C 9 29.013 29.013 29.527 -0.514 18282 1269 1 3 . 1 1 8 8 GLU H H 9 7.701 7.701 7.904 -0.203 18282 1270 1 3 . 1 1 9 9 ARG N N 10 118.791 118.791 118.749 0.042 18282 1271 1 3 . 1 1 9 9 ARG HA H 10 4.124 4.124 4.018 0.106 18282 1272 1 3 . 1 1 9 9 ARG C C 10 178.599 178.599 178.490 0.109 18282 1273 1 3 . 1 1 9 9 ARG CA C 10 58.633 58.633 59.214 -0.581 18282 1274 1 3 . 1 1 9 9 ARG CB C 10 29.005 29.005 30.229 -1.224 18282 1275 1 3 . 1 1 9 9 ARG H H 10 8.910 8.910 7.668 1.242 18282 1276 1 3 . 1 1 10 10 TYR N N 11 121.239 121.239 121.627 -0.388 18282 1277 1 3 . 1 1 10 10 TYR HA H 11 4.186 4.186 4.056 0.130 18282 1278 1 3 . 1 1 10 10 TYR C C 11 176.644 176.644 177.450 -0.806 18282 1279 1 3 . 1 1 10 10 TYR CA C 11 61.311 61.311 61.075 0.236 18282 1280 1 3 . 1 1 10 10 TYR CB C 11 37.956 37.956 37.785 0.172 18282 1281 1 3 . 1 1 10 10 TYR H H 11 7.562 7.562 8.340 -0.778 18282 1282 1 3 . 1 1 11 11 VAL N N 12 119.249 119.249 118.766 0.483 18282 1283 1 3 . 1 1 11 11 VAL HA H 12 3.119 3.119 2.671 0.448 18282 1284 1 3 . 1 1 11 11 VAL C C 12 177.275 177.275 177.805 -0.530 18282 1285 1 3 . 1 1 11 11 VAL CA C 12 66.925 66.925 66.413 0.512 18282 1286 1 3 . 1 1 11 11 VAL CB C 12 30.981 30.981 31.028 -0.047 18282 1287 1 3 . 1 1 11 11 VAL H H 12 8.087 8.087 7.365 0.722 18282 1288 1 3 . 1 1 12 12 GLU N N 13 119.569 119.569 119.304 0.265 18282 1289 1 3 . 1 1 12 12 GLU HA H 13 4.213 4.213 3.786 0.427 18282 1290 1 3 . 1 1 12 12 GLU C C 13 175.207 175.207 178.591 -3.384 18282 1291 1 3 . 1 1 12 12 GLU CA C 13 55.971 55.971 59.298 -3.327 18282 1292 1 3 . 1 1 12 12 GLU CB C 13 28.439 28.439 29.543 -1.104 18282 1293 1 3 . 1 1 12 12 GLU H H 13 8.312 8.312 7.429 0.883 18282 1294 1 3 . 1 1 13 13 GLN N N 14 119.375 119.375 120.179 -0.804 18282 1295 1 3 . 1 1 13 13 GLN HA H 14 3.657 3.657 3.973 -0.316 18282 1296 1 3 . 1 1 13 13 GLN CA C 14 54.294 54.294 58.450 -4.156 18282 1297 1 3 . 1 1 13 13 GLN CB C 14 29.681 29.681 28.288 1.393 18282 1298 1 3 . 1 1 13 13 GLN H H 14 7.690 7.690 8.746 -1.056 18282 1299 1 3 . 1 1 14 14 LEU HA H 15 3.865 3.865 3.919 -0.054 18282 1300 1 3 . 1 1 14 14 LEU CA C 15 58.177 58.177 57.957 0.220 18282 1301 1 3 . 1 1 14 14 LEU CB C 15 40.693 40.693 41.331 -0.638 18282 1302 1 3 . 1 1 15 15 LYS HA H 16 3.737 3.737 3.732 0.005 18282 1303 1 3 . 1 1 15 15 LYS C C 16 177.817 177.817 179.311 -1.494 18282 1304 1 3 . 1 1 15 15 LYS CA C 16 60.352 60.352 59.459 0.893 18282 1305 1 3 . 1 1 15 15 LYS CB C 16 32.106 32.106 32.034 0.072 18282 1306 1 3 . 1 1 16 16 GLN N N 17 117.498 117.498 118.624 -1.126 18282 1307 1 3 . 1 1 16 16 GLN HA H 17 3.864 3.864 3.873 -0.009 18282 1308 1 3 . 1 1 16 16 GLN CA C 17 58.307 58.307 58.836 -0.529 18282 1309 1 3 . 1 1 16 16 GLN CB C 17 27.788 27.788 28.577 -0.789 18282 1310 1 3 . 1 1 16 16 GLN H H 17 7.862 7.862 8.296 -0.434 18282 1311 1 3 . 1 1 17 17 ALA HA H 18 3.793 3.793 4.054 -0.261 18282 1312 1 3 . 1 1 17 17 ALA C C 18 179.147 179.147 178.826 0.321 18282 1313 1 3 . 1 1 17 17 ALA CA C 18 54.792 54.792 54.597 0.195 18282 1314 1 3 . 1 1 17 17 ALA CB C 18 17.693 17.693 18.294 -0.601 18282 1315 1 3 . 1 1 18 18 LEU N N 19 117.278 117.278 117.324 -0.046 18282 1316 1 3 . 1 1 18 18 LEU HA H 19 3.784 3.784 3.900 -0.116 18282 1317 1 3 . 1 1 18 18 LEU C C 19 174.935 174.935 178.606 -3.671 18282 1318 1 3 . 1 1 18 18 LEU CA C 19 57.731 57.731 56.440 1.291 18282 1319 1 3 . 1 1 18 18 LEU CB C 19 40.703 40.703 41.744 -1.041 18282 1320 1 3 . 1 1 18 18 LEU H H 19 8.168 8.168 7.037 1.131 18282 1321 1 3 . 1 1 19 19 LYS N N 20 118.025 118.025 119.621 -1.596 18282 1322 1 3 . 1 1 19 19 LYS C C 20 177.982 177.982 179.565 -1.583 18282 1323 1 3 . 1 1 19 19 LYS CA C 20 60.439 60.439 59.379 1.060 18282 1324 1 3 . 1 1 19 19 LYS H H 20 8.345 8.345 7.612 0.733 18282 1325 1 3 . 1 1 20 20 THR N N 21 116.345 116.345 112.962 3.383 18282 1326 1 3 . 1 1 20 20 THR HA H 21 4.126 4.126 4.074 0.052 18282 1327 1 3 . 1 1 20 20 THR C C 21 175.469 175.469 176.008 -0.539 18282 1328 1 3 . 1 1 20 20 THR CA C 21 64.643 64.643 64.568 0.075 18282 1329 1 3 . 1 1 20 20 THR CB C 21 68.652 68.652 68.838 -0.186 18282 1330 1 3 . 1 1 20 20 THR H H 21 7.896 7.896 7.694 0.202 18282 1331 1 3 . 1 1 21 21 ARG N N 22 118.792 118.792 118.871 -0.079 18282 1332 1 3 . 1 1 21 21 ARG HA H 22 4.375 4.375 4.263 0.112 18282 1333 1 3 . 1 1 21 21 ARG C C 22 176.364 176.364 177.203 -0.839 18282 1334 1 3 . 1 1 21 21 ARG CA C 22 54.157 54.157 55.555 -1.398 18282 1335 1 3 . 1 1 21 21 ARG CB C 22 29.453 29.453 30.170 -0.717 18282 1336 1 3 . 1 1 21 21 ARG H H 22 7.317 7.317 7.556 -0.239 18282 1337 1 3 . 1 1 22 22 GLY N N 23 108.428 108.428 107.003 1.425 18282 1338 1 3 . 1 1 22 22 GLY C C 23 174.154 174.154 174.034 0.120 18282 1339 1 3 . 1 1 22 22 GLY CA C 23 45.953 45.953 44.761 1.192 18282 1340 1 3 . 1 1 22 22 GLY H H 23 7.881 7.881 7.845 0.036 18282 1341 1 3 . 1 1 23 23 VAL N N 24 117.319 117.319 118.824 -1.505 18282 1342 1 3 . 1 1 23 23 VAL HA H 24 4.036 4.036 4.251 -0.215 18282 1343 1 3 . 1 1 23 23 VAL C C 24 175.601 175.601 174.891 0.710 18282 1344 1 3 . 1 1 23 23 VAL CA C 24 61.635 61.635 60.498 1.137 18282 1345 1 3 . 1 1 23 23 VAL CB C 24 32.589 32.589 34.138 -1.549 18282 1346 1 3 . 1 1 23 23 VAL H H 24 7.431 7.431 7.273 0.158 18282 1347 1 3 . 1 1 24 24 LYS N N 25 127.424 127.424 123.322 4.102 18282 1348 1 3 . 1 1 24 24 LYS HA H 25 4.336 4.336 4.617 -0.281 18282 1349 1 3 . 1 1 24 24 LYS C C 25 175.550 175.550 174.880 0.670 18282 1350 1 3 . 1 1 24 24 LYS CA C 25 55.811 55.811 55.819 -0.008 18282 1351 1 3 . 1 1 24 24 LYS CB C 25 32.269 32.269 33.336 -1.067 18282 1352 1 3 . 1 1 24 24 LYS H H 25 8.665 8.665 8.538 0.127 18282 1353 1 3 . 1 1 25 25 VAL N N 26 120.764 120.764 127.356 -6.592 18282 1354 1 3 . 1 1 25 25 VAL HA H 26 4.140 4.140 4.269 -0.129 18282 1355 1 3 . 1 1 25 25 VAL C C 26 174.206 174.206 174.908 -0.702 18282 1356 1 3 . 1 1 25 25 VAL CA C 26 60.316 60.316 61.041 -0.724 18282 1357 1 3 . 1 1 25 25 VAL CB C 26 33.920 33.920 32.707 1.213 18282 1358 1 3 . 1 1 25 25 VAL H H 26 7.545 7.545 8.512 -0.967 18282 1359 1 3 . 1 1 26 26 LYS N N 27 125.707 125.707 124.834 0.873 18282 1360 1 3 . 1 1 26 26 LYS HA H 27 4.115 4.115 4.292 -0.177 18282 1361 1 3 . 1 1 26 26 LYS CA C 27 55.211 55.211 55.901 -0.690 18282 1362 1 3 . 1 1 26 26 LYS CB C 27 31.930 31.930 32.971 -1.042 18282 1363 1 3 . 1 1 26 26 LYS H H 27 8.608 8.608 8.180 0.428 18282 1364 1 3 . 1 1 27 27 TYR CA C 28 56.418 56.418 62.001 -5.583 18282 1365 1 3 . 1 1 27 27 TYR CB C 28 37.036 37.036 36.880 0.156 18282 1366 1 3 . 1 1 28 28 ALA N N 29 120.712 120.712 121.143 -0.431 18282 1367 1 3 . 1 1 28 28 ALA HA H 29 3.712 3.712 4.003 -0.291 18282 1368 1 3 . 1 1 28 28 ALA C C 29 180.210 180.210 179.629 0.581 18282 1369 1 3 . 1 1 28 28 ALA CA C 29 54.911 54.911 54.616 0.295 18282 1370 1 3 . 1 1 28 28 ALA CB C 29 18.034 18.034 17.479 0.555 18282 1371 1 3 . 1 1 28 28 ALA H H 29 8.326 8.326 8.361 -0.035 18282 1372 1 3 . 1 1 29 29 ASP N N 30 117.166 117.166 119.157 -1.991 18282 1373 1 3 . 1 1 29 29 ASP HA H 30 4.379 4.379 4.424 -0.045 18282 1374 1 3 . 1 1 29 29 ASP C C 30 178.427 178.427 178.426 0.001 18282 1375 1 3 . 1 1 29 29 ASP CA C 30 56.459 56.459 56.971 -0.513 18282 1376 1 3 . 1 1 29 29 ASP CB C 30 39.962 39.962 40.799 -0.837 18282 1377 1 3 . 1 1 29 29 ASP H H 30 6.913 6.913 8.420 -1.507 18282 1378 1 3 . 1 1 30 30 LEU N N 31 123.105 123.105 120.234 2.871 18282 1379 1 3 . 1 1 30 30 LEU HA H 31 3.491 3.491 4.169 -0.678 18282 1380 1 3 . 1 1 30 30 LEU CA C 31 56.841 56.841 58.335 -1.494 18282 1381 1 3 . 1 1 30 30 LEU CB C 31 40.888 40.888 42.067 -1.179 18282 1382 1 3 . 1 1 30 30 LEU H H 31 7.543 7.543 7.986 -0.443 18282 1383 1 3 . 1 1 31 31 LEU HA H 32 3.611 3.611 3.974 -0.363 18282 1384 1 3 . 1 1 31 31 LEU C C 32 179.120 179.120 179.330 -0.210 18282 1385 1 3 . 1 1 31 31 LEU CA C 32 58.103 58.103 58.008 0.095 18282 1386 1 3 . 1 1 31 31 LEU CB C 32 40.594 40.594 41.180 -0.586 18282 1387 1 3 . 1 1 32 32 LYS N N 33 118.074 118.074 118.705 -0.631 18282 1388 1 3 . 1 1 32 32 LYS HA H 33 4.202 4.202 4.084 0.118 18282 1389 1 3 . 1 1 32 32 LYS C C 33 180.044 180.044 178.605 1.439 18282 1390 1 3 . 1 1 32 32 LYS CA C 33 59.081 59.081 59.018 0.063 18282 1391 1 3 . 1 1 32 32 LYS CB C 33 31.735 31.735 32.584 -0.849 18282 1392 1 3 . 1 1 32 32 LYS H H 33 7.189 7.189 7.775 -0.586 18282 1393 1 3 . 1 1 33 33 PHE N N 34 122.977 122.977 120.504 2.473 18282 1394 1 3 . 1 1 33 33 PHE CA C 34 60.402 60.402 62.084 -1.682 18282 1395 1 3 . 1 1 33 33 PHE H H 34 7.768 7.768 8.881 -1.113 18282 1396 1 3 . 1 1 34 34 PHE HA H 35 3.800 3.800 4.156 -0.356 18282 1397 1 3 . 1 1 34 34 PHE C C 35 176.355 176.355 177.240 -0.885 18282 1398 1 3 . 1 1 34 34 PHE CA C 35 61.813 61.813 62.034 -0.221 18282 1399 1 3 . 1 1 34 34 PHE CB C 35 37.164 37.164 38.992 -1.827 18282 1400 1 3 . 1 1 35 35 ASP N N 36 119.969 119.969 119.914 0.055 18282 1401 1 3 . 1 1 35 35 ASP C C 36 177.087 177.087 179.080 -1.993 18282 1402 1 3 . 1 1 35 35 ASP CA C 36 58.278 58.278 57.425 0.853 18282 1403 1 3 . 1 1 35 35 ASP CB C 36 39.578 39.578 40.351 -0.773 18282 1404 1 3 . 1 1 35 35 ASP H H 36 8.338 8.338 8.009 0.329 18282 1405 1 3 . 1 1 36 36 PHE N N 37 122.901 122.901 119.607 3.294 18282 1406 1 3 . 1 1 36 36 PHE C C 37 178.788 178.788 178.013 0.775 18282 1407 1 3 . 1 1 36 36 PHE CA C 37 61.416 61.416 60.146 1.270 18282 1408 1 3 . 1 1 36 36 PHE CB C 37 38.369 38.369 38.923 -0.554 18282 1409 1 3 . 1 1 36 36 PHE H H 37 7.860 7.860 8.378 -0.518 18282 1410 1 3 . 1 1 37 37 VAL N N 38 122.329 122.329 114.940 7.389 18282 1411 1 3 . 1 1 37 37 VAL HA H 38 3.100 3.100 3.581 -0.481 18282 1412 1 3 . 1 1 37 37 VAL C C 38 176.147 176.147 177.712 -1.565 18282 1413 1 3 . 1 1 37 37 VAL CA C 38 67.153 67.153 65.340 1.813 18282 1414 1 3 . 1 1 37 37 VAL CB C 38 30.625 30.625 31.783 -1.158 18282 1415 1 3 . 1 1 37 37 VAL H H 38 8.451 8.451 8.013 0.438 18282 1416 1 3 . 1 1 38 38 LYS N N 39 118.837 118.837 120.458 -1.621 18282 1417 1 3 . 1 1 38 38 LYS HA H 39 3.473 3.473 4.000 -0.527 18282 1418 1 3 . 1 1 38 38 LYS C C 39 176.361 176.361 178.121 -1.760 18282 1419 1 3 . 1 1 38 38 LYS CA C 39 59.519 59.519 59.515 0.004 18282 1420 1 3 . 1 1 38 38 LYS CB C 39 31.628 31.628 32.278 -0.650 18282 1421 1 3 . 1 1 38 38 LYS H H 39 7.581 7.581 8.273 -0.692 18282 1422 1 3 . 1 1 39 39 ASP N N 40 116.210 116.210 118.841 -2.631 18282 1423 1 3 . 1 1 39 39 ASP HA H 40 4.261 4.261 4.498 -0.237 18282 1424 1 3 . 1 1 39 39 ASP CA C 40 56.580 56.580 56.747 -0.167 18282 1425 1 3 . 1 1 39 39 ASP CB C 40 40.977 40.977 40.896 0.081 18282 1426 1 3 . 1 1 39 39 ASP H H 40 8.052 8.052 8.017 0.035 18282 1427 1 3 . 1 1 40 40 THR N N 41 109.215 109.215 107.633 1.582 18282 1428 1 3 . 1 1 40 40 THR C C 41 174.559 174.559 174.704 -0.145 18282 1429 1 3 . 1 1 40 40 THR H H 41 7.232 7.232 7.569 -0.337 18282 1430 1 3 . 1 1 41 41 CYS N N 42 117.927 117.927 119.716 -1.789 18282 1431 1 3 . 1 1 41 41 CYS CA C 42 55.865 55.865 58.228 -2.363 18282 1432 1 3 . 1 1 41 41 CYS CB C 42 28.500 28.500 26.725 1.775 18282 1433 1 3 . 1 1 41 41 CYS H H 42 7.197 7.197 8.248 -1.051 18282 1434 1 3 . 1 1 42 42 PRO HA H 43 3.987 3.987 3.878 0.109 18282 1435 1 3 . 1 1 42 42 PRO C C 43 176.688 176.688 176.541 0.147 18282 1436 1 3 . 1 1 42 42 PRO CA C 43 65.206 65.206 63.885 1.321 18282 1437 1 3 . 1 1 42 42 PRO CB C 43 30.767 30.767 31.884 -1.117 18282 1438 1 3 . 1 1 43 43 TRP N N 44 113.805 113.805 116.706 -2.901 18282 1439 1 3 . 1 1 43 43 TRP HA H 44 4.361 4.361 4.729 -0.368 18282 1440 1 3 . 1 1 43 43 TRP C C 44 176.982 176.982 175.874 1.108 18282 1441 1 3 . 1 1 43 43 TRP CA C 44 61.758 61.758 57.423 4.335 18282 1442 1 3 . 1 1 43 43 TRP CB C 44 27.771 27.771 28.994 -1.223 18282 1443 1 3 . 1 1 43 43 TRP H H 44 6.632 6.632 7.998 -1.366 18282 1444 1 3 . 1 1 44 44 PHE N N 45 123.019 123.019 112.827 10.192 18282 1445 1 3 . 1 1 44 44 PHE HA H 45 4.043 4.043 4.182 -0.139 18282 1446 1 3 . 1 1 44 44 PHE CA C 45 62.990 62.990 58.215 4.775 18282 1447 1 3 . 1 1 44 44 PHE CB C 45 35.109 35.109 36.139 -1.030 18282 1448 1 3 . 1 1 44 44 PHE H H 45 7.302 7.302 6.932 0.370 18282 1449 1 3 . 1 1 45 45 PRO HA H 46 4.015 4.015 4.151 -0.136 18282 1450 1 3 . 1 1 45 45 PRO C C 46 176.462 176.462 177.551 -1.089 18282 1451 1 3 . 1 1 45 45 PRO CA C 46 64.582 64.582 64.865 -0.283 18282 1452 1 3 . 1 1 45 45 PRO CB C 46 30.254 30.254 31.466 -1.212 18282 1453 1 3 . 1 1 46 46 GLN N N 47 114.404 114.404 117.328 -2.924 18282 1454 1 3 . 1 1 46 46 GLN HA H 47 3.941 3.941 4.059 -0.118 18282 1455 1 3 . 1 1 46 46 GLN C C 47 177.234 177.234 176.994 0.240 18282 1456 1 3 . 1 1 46 46 GLN CA C 47 58.328 58.328 58.351 -0.023 18282 1457 1 3 . 1 1 46 46 GLN CB C 47 28.471 28.471 28.470 0.001 18282 1458 1 3 . 1 1 46 46 GLN H H 47 6.544 6.544 8.305 -1.761 18282 1459 1 3 . 1 1 47 47 GLU N N 48 117.356 117.356 116.820 0.536 18282 1460 1 3 . 1 1 47 47 GLU HA H 48 4.085 4.085 4.298 -0.213 18282 1461 1 3 . 1 1 47 47 GLU C C 48 179.130 179.130 176.585 2.545 18282 1462 1 3 . 1 1 47 47 GLU CA C 48 58.215 58.215 56.266 1.950 18282 1463 1 3 . 1 1 47 47 GLU CB C 48 29.247 29.247 30.779 -1.532 18282 1464 1 3 . 1 1 47 47 GLU H H 48 7.710 7.710 7.924 -0.214 18282 1465 1 3 . 1 1 48 48 GLY N N 49 105.456 105.456 108.128 -2.672 18282 1466 1 3 . 1 1 48 48 GLY C C 49 171.006 171.006 174.038 -3.032 18282 1467 1 3 . 1 1 48 48 GLY CA C 49 47.085 47.085 45.827 1.258 18282 1468 1 3 . 1 1 48 48 GLY H H 49 7.296 7.296 7.674 -0.378 18282 1469 1 3 . 1 1 49 49 THR N N 50 114.015 114.015 116.573 -2.558 18282 1470 1 3 . 1 1 49 49 THR HA H 50 4.248 4.248 4.570 -0.322 18282 1471 1 3 . 1 1 49 49 THR CA C 50 61.830 61.830 59.919 1.911 18282 1472 1 3 . 1 1 49 49 THR CB C 50 70.692 70.692 71.270 -0.578 18282 1473 1 3 . 1 1 49 49 THR H H 50 7.599 7.599 7.848 -0.249 18282 1474 1 3 . 1 1 50 50 ILE HA H 51 4.135 4.135 4.435 -0.300 18282 1475 1 3 . 1 1 50 50 ILE C C 51 172.608 172.608 174.564 -1.956 18282 1476 1 3 . 1 1 50 50 ILE CA C 51 59.075 59.075 60.619 -1.544 18282 1477 1 3 . 1 1 50 50 ILE CB C 51 35.416 35.416 39.496 -4.080 18282 1478 1 3 . 1 1 51 51 ASP N N 52 121.859 121.859 126.863 -5.004 18282 1479 1 3 . 1 1 51 51 ASP HA H 52 4.625 4.625 4.962 -0.337 18282 1480 1 3 . 1 1 51 51 ASP C C 52 175.770 175.770 175.460 0.310 18282 1481 1 3 . 1 1 51 51 ASP CA C 52 51.634 51.634 53.411 -1.777 18282 1482 1 3 . 1 1 51 51 ASP CB C 52 42.528 42.528 42.241 0.287 18282 1483 1 3 . 1 1 51 51 ASP H H 52 7.176 7.176 9.444 -2.268 18282 1484 1 3 . 1 1 52 52 ILE N N 53 119.549 119.549 122.973 -3.424 18282 1485 1 3 . 1 1 52 52 ILE HA H 53 4.150 4.150 4.337 -0.187 18282 1486 1 3 . 1 1 52 52 ILE C C 53 176.961 176.961 177.572 -0.611 18282 1487 1 3 . 1 1 52 52 ILE CA C 53 61.899 61.899 62.552 -0.653 18282 1488 1 3 . 1 1 52 52 ILE CB C 53 37.700 37.700 38.692 -0.992 18282 1489 1 3 . 1 1 52 52 ILE H H 53 8.777 8.777 8.780 -0.003 18282 1490 1 3 . 1 1 53 53 LYS N N 54 123.515 123.515 120.525 2.990 18282 1491 1 3 . 1 1 53 53 LYS HA H 54 4.116 4.116 4.200 -0.084 18282 1492 1 3 . 1 1 53 53 LYS C C 54 180.448 180.448 178.973 1.475 18282 1493 1 3 . 1 1 53 53 LYS CA C 54 59.934 59.934 59.619 0.315 18282 1494 1 3 . 1 1 53 53 LYS CB C 54 31.875 31.875 32.069 -0.195 18282 1495 1 3 . 1 1 53 53 LYS H H 54 8.106 8.106 8.500 -0.394 18282 1496 1 3 . 1 1 54 54 ARG N N 55 120.371 120.371 119.978 0.393 18282 1497 1 3 . 1 1 54 54 ARG HA H 55 4.422 4.422 4.017 0.405 18282 1498 1 3 . 1 1 54 54 ARG C C 55 179.159 179.159 178.264 0.895 18282 1499 1 3 . 1 1 54 54 ARG CA C 55 59.726 59.726 59.329 0.397 18282 1500 1 3 . 1 1 54 54 ARG CB C 55 37.368 37.368 29.825 7.543 18282 1501 1 3 . 1 1 54 54 ARG H H 55 9.183 9.183 8.594 0.589 18282 1502 1 3 . 1 1 55 55 TRP N N 56 120.755 120.755 119.745 1.010 18282 1503 1 3 . 1 1 55 55 TRP HA H 56 4.747 4.747 3.864 0.883 18282 1504 1 3 . 1 1 55 55 TRP C C 56 179.954 179.954 177.224 2.730 18282 1505 1 3 . 1 1 55 55 TRP CA C 56 60.105 60.105 59.753 0.352 18282 1506 1 3 . 1 1 55 55 TRP CB C 56 29.997 29.997 29.099 0.898 18282 1507 1 3 . 1 1 55 55 TRP H H 56 8.927 8.927 8.476 0.451 18282 1508 1 3 . 1 1 56 56 ARG N N 57 122.194 122.194 118.389 3.805 18282 1509 1 3 . 1 1 56 56 ARG HA H 57 4.406 4.406 3.527 0.879 18282 1510 1 3 . 1 1 56 56 ARG C C 57 178.101 178.101 178.430 -0.329 18282 1511 1 3 . 1 1 56 56 ARG CA C 57 60.198 60.198 59.445 0.753 18282 1512 1 3 . 1 1 56 56 ARG CB C 57 29.585 29.585 29.769 -0.184 18282 1513 1 3 . 1 1 56 56 ARG H H 57 9.220 9.220 7.623 1.597 18282 1514 1 3 . 1 1 57 57 ARG N N 58 120.674 120.674 119.445 1.229 18282 1515 1 3 . 1 1 57 57 ARG HA H 58 4.186 4.186 3.906 0.280 18282 1516 1 3 . 1 1 57 57 ARG C C 58 179.445 179.445 178.247 1.198 18282 1517 1 3 . 1 1 57 57 ARG CA C 58 59.832 59.832 59.833 -0.001 18282 1518 1 3 . 1 1 57 57 ARG CB C 58 29.753 29.753 29.996 -0.243 18282 1519 1 3 . 1 1 57 57 ARG H H 58 7.605 7.605 7.326 0.279 18282 1520 1 3 . 1 1 58 58 VAL N N 59 121.833 121.833 118.604 3.229 18282 1521 1 3 . 1 1 58 58 VAL HA H 59 3.675 3.675 3.676 -0.001 18282 1522 1 3 . 1 1 58 58 VAL C C 59 176.565 176.565 177.242 -0.677 18282 1523 1 3 . 1 1 58 58 VAL CA C 59 65.920 65.920 65.284 0.636 18282 1524 1 3 . 1 1 58 58 VAL CB C 59 30.785 30.785 31.264 -0.479 18282 1525 1 3 . 1 1 58 58 VAL H H 59 7.819 7.819 7.303 0.516 18282 1526 1 3 . 1 1 59 59 GLY N N 60 106.521 106.521 107.219 -0.698 18282 1527 1 3 . 1 1 59 59 GLY C C 60 175.923 175.923 175.376 0.547 18282 1528 1 3 . 1 1 59 59 GLY CA C 60 45.982 45.982 46.727 -0.745 18282 1529 1 3 . 1 1 59 59 GLY H H 60 7.540 7.540 7.509 0.031 18282 1530 1 3 . 1 1 60 60 ASP N N 61 123.066 123.066 122.551 0.515 18282 1531 1 3 . 1 1 60 60 ASP HA H 61 4.261 4.261 4.448 -0.187 18282 1532 1 3 . 1 1 60 60 ASP C C 61 178.537 178.537 178.381 0.156 18282 1533 1 3 . 1 1 60 60 ASP CA C 61 56.907 56.907 56.700 0.207 18282 1534 1 3 . 1 1 60 60 ASP CB C 61 39.654 39.654 40.636 -0.982 18282 1535 1 3 . 1 1 60 60 ASP H H 61 8.197 8.197 8.265 -0.068 18282 1536 1 3 . 1 1 61 61 CYS N N 62 121.005 121.005 118.439 2.566 18282 1537 1 3 . 1 1 61 61 CYS C C 62 177.083 177.083 177.586 -0.503 18282 1538 1 3 . 1 1 61 61 CYS CA C 62 62.380 62.380 63.443 -1.063 18282 1539 1 3 . 1 1 61 61 CYS CB C 62 26.011 26.011 26.871 -0.860 18282 1540 1 3 . 1 1 61 61 CYS H H 62 7.858 7.858 7.836 0.022 18282 1541 1 3 . 1 1 62 62 PHE N N 63 119.362 119.362 119.719 -0.357 18282 1542 1 3 . 1 1 62 62 PHE HA H 63 4.117 4.117 4.298 -0.181 18282 1543 1 3 . 1 1 62 62 PHE C C 63 178.081 178.081 178.068 0.013 18282 1544 1 3 . 1 1 62 62 PHE CA C 63 57.843 57.843 61.768 -3.925 18282 1545 1 3 . 1 1 62 62 PHE CB C 63 36.605 36.605 38.284 -1.679 18282 1546 1 3 . 1 1 62 62 PHE H H 63 8.530 8.530 8.496 0.034 18282 1547 1 3 . 1 1 63 63 GLN N N 64 118.829 118.829 119.832 -1.003 18282 1548 1 3 . 1 1 63 63 GLN HA H 64 4.199 4.199 4.091 0.108 18282 1549 1 3 . 1 1 63 63 GLN C C 64 177.645 177.645 177.834 -0.189 18282 1550 1 3 . 1 1 63 63 GLN CA C 64 59.094 59.094 59.160 -0.066 18282 1551 1 3 . 1 1 63 63 GLN CB C 64 28.337 28.337 27.975 0.362 18282 1552 1 3 . 1 1 63 63 GLN H H 64 8.236 8.236 8.258 -0.022 18282 1553 1 3 . 1 1 64 64 ASP N N 65 120.234 120.234 120.345 -0.111 18282 1554 1 3 . 1 1 64 64 ASP HA H 65 4.481 4.481 4.319 0.162 18282 1555 1 3 . 1 1 64 64 ASP CA C 65 57.301 57.301 56.968 0.333 18282 1556 1 3 . 1 1 64 64 ASP CB C 65 40.773 40.773 40.363 0.410 18282 1557 1 3 . 1 1 64 64 ASP H H 65 8.257 8.257 7.610 0.647 18282 1558 1 3 . 1 1 65 65 TYR HA H 66 4.598 4.598 4.325 0.273 18282 1559 1 3 . 1 1 65 65 TYR C C 66 178.524 178.524 178.514 0.010 18282 1560 1 3 . 1 1 65 65 TYR CA C 66 60.355 60.355 60.955 -0.600 18282 1561 1 3 . 1 1 65 65 TYR CB C 66 37.796 37.796 38.102 -0.306 18282 1562 1 3 . 1 1 66 66 TYR N N 67 122.741 122.741 120.726 2.015 18282 1563 1 3 . 1 1 66 66 TYR HA H 67 4.044 4.044 4.117 -0.073 18282 1564 1 3 . 1 1 66 66 TYR C C 67 178.220 178.220 177.520 0.700 18282 1565 1 3 . 1 1 66 66 TYR CA C 67 61.726 61.726 61.837 -0.111 18282 1566 1 3 . 1 1 66 66 TYR CB C 67 38.932 38.932 38.498 0.434 18282 1567 1 3 . 1 1 66 66 TYR H H 67 9.083 9.083 8.732 0.351 18282 1568 1 3 . 1 1 67 67 ASN N N 68 118.530 118.530 116.011 2.519 18282 1569 1 3 . 1 1 67 67 ASN HA H 68 4.378 4.378 4.370 0.008 18282 1570 1 3 . 1 1 67 67 ASN C C 68 176.633 176.633 177.672 -1.039 18282 1571 1 3 . 1 1 67 67 ASN CA C 68 55.293 55.293 55.900 -0.607 18282 1572 1 3 . 1 1 67 67 ASN CB C 68 37.860 37.860 38.163 -0.303 18282 1573 1 3 . 1 1 67 67 ASN H H 68 8.796 8.796 8.120 0.676 18282 1574 1 3 . 1 1 68 68 THR N N 69 114.328 114.328 112.391 1.937 18282 1575 1 3 . 1 1 68 68 THR HA H 69 3.872 3.872 4.080 -0.208 18282 1576 1 3 . 1 1 68 68 THR C C 69 174.832 174.832 175.615 -0.783 18282 1577 1 3 . 1 1 68 68 THR CA C 69 65.224 65.224 64.941 0.283 18282 1578 1 3 . 1 1 68 68 THR CB C 69 69.484 69.484 68.656 0.828 18282 1579 1 3 . 1 1 68 68 THR H H 69 7.960 7.960 7.596 0.364 18282 1580 1 3 . 1 1 69 69 PHE N N 70 118.107 118.107 121.700 -3.593 18282 1581 1 3 . 1 1 69 69 PHE HA H 70 4.626 4.626 4.407 0.219 18282 1582 1 3 . 1 1 69 69 PHE C C 70 176.495 176.495 176.079 0.416 18282 1583 1 3 . 1 1 69 69 PHE CA C 70 58.409 58.409 59.741 -1.332 18282 1584 1 3 . 1 1 69 69 PHE CB C 70 40.742 40.742 39.612 1.130 18282 1585 1 3 . 1 1 69 69 PHE H H 70 8.591 8.591 7.477 1.114 18282 1586 1 3 . 1 1 70 70 GLY N N 71 109.309 109.309 106.552 2.757 18282 1587 1 3 . 1 1 70 70 GLY CA C 71 44.684 44.684 44.157 0.527 18282 1588 1 3 . 1 1 70 70 GLY H H 71 7.893 7.893 7.618 0.275 18282 1589 1 3 . 1 1 71 71 PRO HA H 72 4.691 4.691 4.422 0.269 18282 1590 1 3 . 1 1 71 71 PRO C C 72 177.772 177.772 176.840 0.932 18282 1591 1 3 . 1 1 71 71 PRO CA C 72 63.458 63.458 62.470 0.988 18282 1592 1 3 . 1 1 71 71 PRO CB C 72 31.823 31.823 32.193 -0.370 18282 1593 1 3 . 1 1 72 72 GLU N N 73 117.421 117.421 124.976 -7.555 18282 1594 1 3 . 1 1 72 72 GLU HA H 73 4.061 4.061 4.137 -0.076 18282 1595 1 3 . 1 1 72 72 GLU C C 73 177.236 177.236 177.175 0.061 18282 1596 1 3 . 1 1 72 72 GLU CA C 73 58.570 58.570 58.545 0.025 18282 1597 1 3 . 1 1 72 72 GLU CB C 73 28.853 28.853 30.033 -1.180 18282 1598 1 3 . 1 1 72 72 GLU H H 73 8.595 8.595 9.025 -0.430 18282 1599 1 3 . 1 1 73 73 LYS N N 74 116.846 116.846 116.186 0.660 18282 1600 1 3 . 1 1 73 73 LYS HA H 74 4.381 4.381 4.418 -0.037 18282 1601 1 3 . 1 1 73 73 LYS C C 74 175.662 175.662 175.907 -0.245 18282 1602 1 3 . 1 1 73 73 LYS CA C 74 55.263 55.263 56.075 -0.812 18282 1603 1 3 . 1 1 73 73 LYS CB C 74 33.891 33.891 33.533 0.358 18282 1604 1 3 . 1 1 73 73 LYS H H 74 7.493 7.493 8.253 -0.760 18282 1605 1 3 . 1 1 74 74 VAL N N 75 118.056 118.056 120.848 -2.792 18282 1606 1 3 . 1 1 74 74 VAL HA H 75 4.423 4.423 4.147 0.276 18282 1607 1 3 . 1 1 74 74 VAL CA C 75 58.438 58.438 62.582 -4.144 18282 1608 1 3 . 1 1 74 74 VAL CB C 75 33.763 33.763 30.948 2.815 18282 1609 1 3 . 1 1 74 74 VAL H H 75 7.342 7.342 8.347 -1.005 18282 1610 1 3 . 1 1 75 75 PRO HA H 76 4.585 4.585 4.596 -0.011 18282 1611 1 3 . 1 1 75 75 PRO C C 76 178.543 178.543 177.264 1.279 18282 1612 1 3 . 1 1 75 75 PRO CA C 76 61.911 61.911 63.327 -1.416 18282 1613 1 3 . 1 1 75 75 PRO CB C 76 32.035 32.035 32.513 -0.478 18282 1614 1 3 . 1 1 76 76 VAL N N 77 119.825 119.825 125.821 -5.996 18282 1615 1 3 . 1 1 76 76 VAL HA H 77 3.921 3.921 4.046 -0.125 18282 1616 1 3 . 1 1 76 76 VAL CA C 77 65.316 65.316 64.338 0.978 18282 1617 1 3 . 1 1 76 76 VAL CB C 77 31.316 31.316 31.670 -0.354 18282 1618 1 3 . 1 1 76 76 VAL H H 77 8.604 8.604 8.473 0.131 18282 1619 1 3 . 1 1 77 77 THR N N 78 109.390 109.390 113.153 -3.763 18282 1620 1 3 . 1 1 77 77 THR HA H 78 3.914 3.914 4.123 -0.209 18282 1621 1 3 . 1 1 77 77 THR C C 78 175.732 175.732 175.876 -0.144 18282 1622 1 3 . 1 1 77 77 THR CA C 78 62.803 62.803 65.356 -2.553 18282 1623 1 3 . 1 1 77 77 THR CB C 78 68.357 68.357 67.900 0.457 18282 1624 1 3 . 1 1 77 77 THR H H 78 7.380 7.380 8.349 -0.969 18282 1625 1 3 . 1 1 78 78 ALA N N 79 123.661 123.661 124.011 -0.350 18282 1626 1 3 . 1 1 78 78 ALA HA H 79 4.001 4.001 4.238 -0.237 18282 1627 1 3 . 1 1 78 78 ALA C C 79 179.527 179.527 179.546 -0.019 18282 1628 1 3 . 1 1 78 78 ALA CA C 79 55.091 55.091 54.851 0.240 18282 1629 1 3 . 1 1 78 78 ALA CB C 79 17.561 17.561 18.246 -0.685 18282 1630 1 3 . 1 1 78 78 ALA H H 79 7.811 7.811 7.604 0.207 18282 1631 1 3 . 1 1 79 79 PHE N N 80 114.258 114.258 118.780 -4.522 18282 1632 1 3 . 1 1 79 79 PHE HA H 80 4.452 4.452 4.389 0.063 18282 1633 1 3 . 1 1 79 79 PHE C C 80 178.586 178.586 177.218 1.368 18282 1634 1 3 . 1 1 79 79 PHE CA C 80 61.656 61.656 60.503 1.153 18282 1635 1 3 . 1 1 79 79 PHE CB C 80 37.694 37.694 39.154 -1.460 18282 1636 1 3 . 1 1 79 79 PHE H H 80 7.306 7.306 9.074 -1.768 18282 1637 1 3 . 1 1 80 80 SER N N 81 116.865 116.865 116.002 0.863 18282 1638 1 3 . 1 1 80 80 SER CA C 81 61.824 61.824 62.534 -0.710 18282 1639 1 3 . 1 1 80 80 SER H H 81 7.733 7.733 7.662 0.071 18282 1640 1 3 . 1 1 81 81 TYR N N 82 121.932 121.932 121.998 -0.066 18282 1641 1 3 . 1 1 81 81 TYR HA H 82 4.133 4.133 4.103 0.030 18282 1642 1 3 . 1 1 81 81 TYR C C 82 177.701 177.701 177.463 0.238 18282 1643 1 3 . 1 1 81 81 TYR CA C 82 60.027 60.027 62.215 -2.188 18282 1644 1 3 . 1 1 81 81 TYR CB C 82 34.104 34.104 38.107 -4.003 18282 1645 1 3 . 1 1 81 81 TYR H H 82 8.151 8.151 7.853 0.298 18282 1646 1 3 . 1 1 82 82 TRP N N 83 120.817 120.817 119.875 0.942 18282 1647 1 3 . 1 1 82 82 TRP HA H 83 4.436 4.436 4.247 0.189 18282 1648 1 3 . 1 1 82 82 TRP CA C 83 63.975 63.975 61.590 2.385 18282 1649 1 3 . 1 1 82 82 TRP CB C 83 28.557 28.557 29.380 -0.823 18282 1650 1 3 . 1 1 82 82 TRP H H 83 8.645 8.645 8.120 0.525 18282 1651 1 3 . 1 1 83 83 ASN HA H 84 4.230 4.230 4.027 0.203 18282 1652 1 3 . 1 1 83 83 ASN C C 84 176.140 176.140 177.600 -1.460 18282 1653 1 3 . 1 1 83 83 ASN CA C 84 56.683 56.683 55.970 0.713 18282 1654 1 3 . 1 1 83 83 ASN CB C 84 39.116 39.116 37.686 1.430 18282 1655 1 3 . 1 1 84 84 LEU N N 85 121.884 121.884 121.916 -0.032 18282 1656 1 3 . 1 1 84 84 LEU HA H 85 4.054 4.054 4.062 -0.008 18282 1657 1 3 . 1 1 84 84 LEU C C 85 178.369 178.369 178.239 0.130 18282 1658 1 3 . 1 1 84 84 LEU CA C 85 58.228 58.228 57.642 0.586 18282 1659 1 3 . 1 1 84 84 LEU CB C 85 41.576 41.576 41.780 -0.204 18282 1660 1 3 . 1 1 84 84 LEU H H 85 7.751 7.751 7.855 -0.104 18282 1661 1 3 . 1 1 85 85 ILE N N 86 116.825 116.825 118.702 -1.877 18282 1662 1 3 . 1 1 85 85 ILE HA H 86 3.462 3.462 3.438 0.024 18282 1663 1 3 . 1 1 85 85 ILE C C 86 176.809 176.809 177.676 -0.867 18282 1664 1 3 . 1 1 85 85 ILE CA C 86 61.345 61.345 65.234 -3.889 18282 1665 1 3 . 1 1 85 85 ILE CB C 86 34.099 34.099 37.492 -3.393 18282 1666 1 3 . 1 1 85 85 ILE H H 86 7.952 7.952 8.377 -0.425 18282 1667 1 3 . 1 1 86 86 LYS N N 87 121.846 121.846 119.476 2.370 18282 1668 1 3 . 1 1 86 86 LYS HA H 87 3.231 3.231 3.701 -0.470 18282 1669 1 3 . 1 1 86 86 LYS C C 87 177.221 177.221 178.110 -0.889 18282 1670 1 3 . 1 1 86 86 LYS CA C 87 60.033 60.033 59.630 0.403 18282 1671 1 3 . 1 1 86 86 LYS CB C 87 31.005 31.005 31.570 -0.565 18282 1672 1 3 . 1 1 86 86 LYS H H 87 7.876 7.876 7.692 0.184 18282 1673 1 3 . 1 1 87 87 GLU N N 88 116.331 116.331 119.854 -3.523 18282 1674 1 3 . 1 1 87 87 GLU HA H 88 3.861 3.861 4.080 -0.218 18282 1675 1 3 . 1 1 87 87 GLU C C 88 178.810 178.810 178.608 0.202 18282 1676 1 3 . 1 1 87 87 GLU CA C 88 58.949 58.949 58.378 0.571 18282 1677 1 3 . 1 1 87 87 GLU CB C 88 29.221 29.221 28.815 0.406 18282 1678 1 3 . 1 1 87 87 GLU H H 88 7.679 7.679 7.630 0.049 18282 1679 1 3 . 1 1 88 88 LEU N N 89 118.090 118.090 121.283 -3.193 18282 1680 1 3 . 1 1 88 88 LEU HA H 89 3.909 3.909 4.021 -0.112 18282 1681 1 3 . 1 1 88 88 LEU CA C 89 57.688 57.688 57.574 0.114 18282 1682 1 3 . 1 1 88 88 LEU CB C 89 41.436 41.436 41.645 -0.209 18282 1683 1 3 . 1 1 88 88 LEU H H 89 7.441 7.441 7.983 -0.542 18282 1684 1 3 . 1 1 89 89 ILE HA H 90 3.344 3.344 3.724 -0.380 18282 1685 1 3 . 1 1 89 89 ILE CA C 90 65.082 65.082 64.099 0.983 18282 1686 1 3 . 1 1 89 89 ILE CB C 90 37.556 37.556 38.178 -0.622 18282 1687 1 3 . 1 1 90 90 ASP HA H 91 3.894 3.894 4.345 -0.451 18282 1688 1 3 . 1 1 90 90 ASP CA C 91 57.678 57.678 55.786 1.892 18282 1689 1 3 . 1 1 90 90 ASP CB C 91 40.546 40.546 41.116 -0.570 18282 1690 1 3 . 1 1 91 91 LYS N N 92 119.422 119.422 119.201 0.221 18282 1691 1 3 . 1 1 91 91 LYS CA C 92 54.600 54.600 56.628 -2.028 18282 1692 1 3 . 1 1 91 91 LYS CB C 92 32.014 32.014 33.010 -0.996 18282 1693 1 3 . 1 1 91 91 LYS H H 92 7.903 7.903 7.691 0.211 18282 1694 1 3 . 1 1 92 92 LYS HA H 93 4.541 4.541 4.089 0.452 18282 1695 1 3 . 1 1 92 92 LYS CA C 93 55.202 55.202 57.694 -2.493 18282 1696 1 3 . 1 1 92 92 LYS CB C 93 31.758 31.758 32.373 -0.615 18282 1697 1 3 . 1 1 93 93 GLU N N 94 115.922 115.922 119.305 -3.383 18282 1698 1 3 . 1 1 93 93 GLU HA H 94 4.283 4.283 4.222 0.061 18282 1699 1 3 . 1 1 93 93 GLU C C 94 175.613 175.613 175.718 -0.105 18282 1700 1 3 . 1 1 93 93 GLU CA C 94 56.296 56.296 56.710 -0.414 18282 1701 1 3 . 1 1 93 93 GLU CB C 94 29.415 29.415 27.761 1.654 18282 1702 1 3 . 1 1 93 93 GLU H H 94 8.140 8.140 8.380 -0.240 18282 1703 1 3 . 1 1 94 94 VAL N N 95 121.304 121.304 115.827 5.477 18282 1704 1 3 . 1 1 94 94 VAL HA H 95 3.773 3.773 4.298 -0.525 18282 1705 1 3 . 1 1 94 94 VAL CA C 95 62.257 62.257 60.138 2.119 18282 1706 1 3 . 1 1 94 94 VAL CB C 95 32.047 32.047 34.366 -2.319 18282 1707 1 3 . 1 1 94 94 VAL H H 95 8.003 8.003 7.717 0.286 18282 1708 1 3 . 1 1 95 95 ASN H H 96 7.518 7.518 8.226 -0.708 18282 1709 1 3 . 1 1 96 96 PRO HA H 97 4.319 4.319 4.186 0.133 18282 1710 1 3 . 1 1 96 96 PRO C C 97 179.088 179.088 177.995 1.093 18282 1711 1 3 . 1 1 96 96 PRO CA C 97 64.963 64.963 65.114 -0.151 18282 1712 1 3 . 1 1 96 96 PRO CB C 97 32.035 32.035 31.556 0.479 18282 1713 1 3 . 1 1 97 97 GLN N N 98 117.793 117.793 117.059 0.734 18282 1714 1 3 . 1 1 97 97 GLN HA H 98 3.952 3.952 3.976 -0.024 18282 1715 1 3 . 1 1 97 97 GLN C C 98 179.272 179.272 177.338 1.934 18282 1716 1 3 . 1 1 97 97 GLN CA C 98 55.691 55.691 58.611 -2.920 18282 1717 1 3 . 1 1 97 97 GLN CB C 98 28.378 28.378 27.372 1.006 18282 1718 1 3 . 1 1 97 97 GLN H H 98 8.351 8.351 8.501 -0.150 18282 1719 1 3 . 1 1 98 98 VAL N N 99 121.247 121.247 119.554 1.693 18282 1720 1 3 . 1 1 98 98 VAL HA H 99 3.440 3.440 3.811 -0.371 18282 1721 1 3 . 1 1 98 98 VAL CA C 99 67.776 67.776 65.916 1.859 18282 1722 1 3 . 1 1 98 98 VAL CB C 99 31.574 31.574 31.377 0.197 18282 1723 1 3 . 1 1 98 98 VAL H H 99 7.901 7.901 7.603 0.298 18282 1724 1 3 . 1 1 100 100 ALA HA H 101 4.218 4.218 4.114 0.104 18282 1725 1 3 . 1 1 100 100 ALA C C 101 179.599 179.599 179.231 0.368 18282 1726 1 3 . 1 1 100 100 ALA CA C 101 54.685 54.685 54.707 -0.022 18282 1727 1 3 . 1 1 100 100 ALA CB C 101 17.562 17.562 17.916 -0.354 18282 1728 1 3 . 1 1 101 101 ALA N N 102 119.533 119.533 121.440 -1.907 18282 1729 1 3 . 1 1 101 101 ALA HA H 102 4.005 4.005 4.347 -0.342 18282 1730 1 3 . 1 1 101 101 ALA C C 102 180.970 180.970 179.405 1.565 18282 1731 1 3 . 1 1 101 101 ALA CA C 102 55.013 55.013 53.876 1.137 18282 1732 1 3 . 1 1 101 101 ALA CB C 102 17.422 17.422 18.148 -0.726 18282 1733 1 3 . 1 1 101 101 ALA H H 102 7.559 7.559 7.822 -0.263 18282 1734 1 3 . 1 1 102 102 VAL N N 103 122.669 122.669 119.161 3.508 18282 1735 1 3 . 1 1 102 102 VAL HA H 103 4.087 4.087 3.554 0.533 18282 1736 1 3 . 1 1 102 102 VAL C C 103 175.666 175.666 177.238 -1.572 18282 1737 1 3 . 1 1 102 102 VAL CA C 103 61.850 61.850 65.446 -3.596 18282 1738 1 3 . 1 1 102 102 VAL CB C 103 32.576 32.576 31.509 1.067 18282 1739 1 3 . 1 1 102 102 VAL H H 103 8.851 8.851 7.694 1.157 18282 1740 1 3 . 1 1 103 103 ALA N N 104 128.048 128.048 121.175 6.873 18282 1741 1 3 . 1 1 103 103 ALA HA H 104 4.288 4.288 3.987 0.301 18282 1742 1 3 . 1 1 103 103 ALA C C 104 177.344 177.344 178.290 -0.946 18282 1743 1 3 . 1 1 103 103 ALA CA C 104 52.194 52.194 54.355 -2.161 18282 1744 1 3 . 1 1 103 103 ALA CB C 104 19.021 19.021 18.509 0.512 18282 1745 1 3 . 1 1 103 103 ALA H H 104 8.374 8.374 7.420 0.954 18282 1746 1 3 . 1 1 104 104 GLN N N 105 120.285 120.285 116.050 4.235 18282 1747 1 3 . 1 1 104 104 GLN HA H 105 4.281 4.281 4.353 -0.072 18282 1748 1 3 . 1 1 104 104 GLN CA C 105 55.656 55.656 54.750 0.906 18282 1749 1 3 . 1 1 104 104 GLN CB C 105 32.581 32.581 28.238 4.343 18282 1750 1 3 . 1 1 104 104 GLN H H 105 8.374 8.374 7.404 0.970 18282 1751 1 3 . 1 1 105 105 THR HA H 106 4.293 4.293 3.997 0.296 18282 1752 1 3 . 1 1 105 105 THR C C 106 174.384 174.384 175.317 -0.933 18282 1753 1 3 . 1 1 105 105 THR CA C 106 61.663 61.663 65.150 -3.486 18282 1754 1 3 . 1 1 105 105 THR CB C 106 69.458 69.458 69.189 0.270 18282 1755 1 3 . 1 1 106 106 GLU N N 107 122.744 122.744 120.030 2.714 18282 1756 1 3 . 1 1 106 106 GLU HA H 107 4.241 4.241 4.321 -0.080 18282 1757 1 3 . 1 1 106 106 GLU C C 107 176.331 176.331 175.402 0.929 18282 1758 1 3 . 1 1 106 106 GLU CA C 107 56.621 56.621 56.371 0.250 18282 1759 1 3 . 1 1 106 106 GLU CB C 107 30.004 30.004 30.350 -0.346 18282 1760 1 3 . 1 1 106 106 GLU H H 107 8.415 8.415 8.186 0.229 18282 1761 1 3 . 1 1 107 107 GLU N N 108 121.993 121.993 118.724 3.269 18282 1762 1 3 . 1 1 107 107 GLU HA H 108 4.184 4.184 4.679 -0.495 18282 1763 1 3 . 1 1 107 107 GLU C C 108 176.404 176.404 177.583 -1.179 18282 1764 1 3 . 1 1 107 107 GLU CA C 108 56.721 56.721 55.545 1.176 18282 1765 1 3 . 1 1 107 107 GLU CB C 108 29.770 29.770 30.424 -0.654 18282 1766 1 3 . 1 1 107 107 GLU H H 108 8.334 8.334 8.681 -0.347 18282 1767 1 3 . 1 1 108 108 ILE N N 109 122.204 122.204 120.550 1.654 18282 1768 1 3 . 1 1 108 108 ILE HA H 109 4.052 4.052 3.988 0.064 18282 1769 1 3 . 1 1 108 108 ILE C C 109 176.261 176.261 175.775 0.486 18282 1770 1 3 . 1 1 108 108 ILE CA C 109 61.245 61.245 62.858 -1.613 18282 1771 1 3 . 1 1 108 108 ILE CB C 109 38.157 38.157 37.748 0.409 18282 1772 1 3 . 1 1 108 108 ILE H H 109 8.068 8.068 8.908 -0.840 18282 1773 1 3 . 1 1 109 109 LEU N N 110 125.608 125.608 119.837 5.771 18282 1774 1 3 . 1 1 109 109 LEU HA H 110 4.295 4.295 4.358 -0.063 18282 1775 1 3 . 1 1 109 109 LEU C C 110 177.275 177.275 177.194 0.081 18282 1776 1 3 . 1 1 109 109 LEU CA C 110 55.103 55.103 55.197 -0.094 18282 1777 1 3 . 1 1 109 109 LEU CB C 110 41.929 41.929 42.026 -0.097 18282 1778 1 3 . 1 1 109 109 LEU H H 110 8.187 8.187 7.568 0.619 18282 1779 1 3 . 1 1 110 110 LYS N N 111 122.154 122.154 119.283 2.871 18282 1780 1 3 . 1 1 110 110 LYS HA H 111 4.278 4.278 4.552 -0.274 18282 1781 1 3 . 1 1 110 110 LYS C C 111 176.606 176.606 175.178 1.428 18282 1782 1 3 . 1 1 110 110 LYS CA C 111 56.125 56.125 54.821 1.304 18282 1783 1 3 . 1 1 110 110 LYS CB C 111 32.423 32.423 36.134 -3.711 18282 1784 1 3 . 1 1 110 110 LYS H H 111 8.206 8.206 8.046 0.160 18282 1785 1 3 . 1 1 111 111 SER N N 112 116.381 116.381 117.590 -1.209 18282 1786 1 3 . 1 1 111 111 SER HA H 112 4.395 4.395 4.350 0.045 18282 1787 1 3 . 1 1 111 111 SER C C 112 175.168 175.168 174.760 0.408 18282 1788 1 3 . 1 1 111 111 SER CA C 112 58.456 58.456 58.607 -0.151 18282 1789 1 3 . 1 1 111 111 SER CB C 112 63.495 63.495 64.315 -0.820 18282 1790 1 3 . 1 1 111 111 SER H H 112 8.217 8.217 8.438 -0.221 18282 1791 1 3 . 1 1 112 112 ASN N N 113 119.799 119.799 117.108 2.691 18282 1792 1 3 . 1 1 112 112 ASN HA H 113 4.699 4.699 4.675 0.024 18282 1793 1 3 . 1 1 112 112 ASN C C 113 175.552 175.552 176.112 -0.560 18282 1794 1 3 . 1 1 112 112 ASN CA C 113 53.592 53.592 54.929 -1.337 18282 1795 1 3 . 1 1 112 112 ASN CB C 113 38.772 38.772 38.668 0.104 18282 1796 1 3 . 1 1 112 112 ASN H H 113 7.950 7.950 8.536 -0.586 18282 1797 1 3 . 1 1 113 113 SER N N 114 115.430 115.430 117.612 -2.182 18282 1798 1 3 . 1 1 113 113 SER HA H 114 4.382 4.382 4.379 0.003 18282 1799 1 3 . 1 1 113 113 SER C C 114 174.558 174.558 173.806 0.752 18282 1800 1 3 . 1 1 113 113 SER CA C 114 58.919 58.919 59.546 -0.627 18282 1801 1 3 . 1 1 113 113 SER CB C 114 63.494 63.494 63.610 -0.116 18282 1802 1 3 . 1 1 113 113 SER H H 114 7.970 7.970 7.710 0.260 18282 1803 1 3 . 1 1 114 114 GLN N N 115 121.973 121.973 120.427 1.546 18282 1804 1 3 . 1 1 114 114 GLN HA H 115 4.347 4.347 4.182 0.165 18282 1805 1 3 . 1 1 114 114 GLN C C 115 176.246 176.246 175.210 1.036 18282 1806 1 3 . 1 1 114 114 GLN CA C 115 56.036 56.036 57.048 -1.012 18282 1807 1 3 . 1 1 114 114 GLN CB C 115 29.196 29.196 29.029 0.167 18282 1808 1 3 . 1 1 114 114 GLN H H 115 8.382 8.382 8.400 -0.018 18282 1809 1 3 . 1 1 115 115 THR N N 116 114.701 114.701 111.103 3.598 18282 1810 1 3 . 1 1 115 115 THR HA H 116 4.238 4.238 4.471 -0.233 18282 1811 1 3 . 1 1 115 115 THR C C 116 174.276 174.276 175.475 -1.199 18282 1812 1 3 . 1 1 115 115 THR CA C 116 62.221 62.221 60.910 1.311 18282 1813 1 3 . 1 1 115 115 THR CB C 116 69.405 69.405 70.529 -1.124 18282 1814 1 3 . 1 1 115 115 THR H H 116 8.070 8.070 8.450 -0.380 18282 1815 1 3 . 1 1 116 116 ASP N N 117 122.566 122.566 120.412 2.154 18282 1816 1 3 . 1 1 116 116 ASP HA H 117 4.575 4.575 4.338 0.237 18282 1817 1 3 . 1 1 116 116 ASP C C 117 176.241 176.241 175.911 0.330 18282 1818 1 3 . 1 1 116 116 ASP CA C 117 54.286 54.286 56.859 -2.573 18282 1819 1 3 . 1 1 116 116 ASP CB C 117 40.609 40.609 40.782 -0.173 18282 1820 1 3 . 1 1 116 116 ASP H H 117 8.288 8.288 8.712 -0.424 18282 1821 1 3 . 1 1 117 117 LEU N N 118 122.118 122.118 119.505 2.613 18282 1822 1 3 . 1 1 117 117 LEU HA H 118 4.163 4.163 4.470 -0.307 18282 1823 1 3 . 1 1 117 117 LEU C C 118 177.637 177.637 176.963 0.674 18282 1824 1 3 . 1 1 117 117 LEU CA C 118 55.475 55.475 53.618 1.857 18282 1825 1 3 . 1 1 117 117 LEU CB C 118 41.964 41.964 42.808 -0.844 18282 1826 1 3 . 1 1 117 117 LEU H H 118 8.088 8.088 7.342 0.746 18282 1827 1 3 . 1 1 118 118 GLU N N 119 119.527 119.527 123.039 -3.512 18282 1828 1 3 . 1 1 118 118 GLU HA H 119 4.086 4.086 3.925 0.161 18282 1829 1 3 . 1 1 118 118 GLU C C 119 176.265 176.265 175.810 0.455 18282 1830 1 3 . 1 1 118 118 GLU CA C 119 56.569 56.569 57.849 -1.280 18282 1831 1 3 . 1 1 118 118 GLU CB C 119 29.486 29.486 30.199 -0.713 18282 1832 1 3 . 1 1 118 118 GLU H H 119 8.134 8.134 8.741 -0.607 18282 1833 1 3 . 1 1 119 119 HIS N N 120 118.076 118.076 115.307 2.769 18282 1834 1 3 . 1 1 119 119 HIS HA H 120 4.485 4.485 4.630 -0.145 18282 1835 1 3 . 1 1 119 119 HIS CA C 120 55.422 55.422 55.610 -0.188 18282 1836 1 3 . 1 1 119 119 HIS CB C 120 28.628 28.628 31.042 -2.414 18282 1837 1 3 . 1 1 119 119 HIS H H 120 8.134 8.134 7.645 0.489 18282 1838 1 3 . 1 1 120 120 HIS N N 121 119.323 119.323 120.911 -1.588 18282 1839 1 3 . 1 1 120 120 HIS HA H 121 4.242 4.242 4.811 -0.569 18282 1840 1 3 . 1 1 120 120 HIS CA C 121 56.732 56.732 54.858 1.874 18282 1841 1 3 . 1 1 120 120 HIS H H 121 8.372 8.372 8.296 0.076 18282 1842 1 3 . 1 1 121 121 HIS N N 122 126.032 126.032 123.101 2.931 18282 1843 1 3 . 1 1 121 121 HIS CA C 122 57.036 57.036 59.078 -2.042 18282 1844 1 3 . 1 1 121 121 HIS CB C 122 29.923 29.923 30.019 -0.096 18282 1845 1 3 . 1 1 121 121 HIS H H 122 7.900 7.900 8.822 -0.922 18282 1846 1 3 . 1 1 122 122 HIS N N 123 121.012 121.012 116.543 4.469 18282 1847 1 3 . 1 1 122 122 HIS HA H 123 4.595 4.595 4.278 0.317 18282 1848 1 3 . 1 1 122 122 HIS CA C 123 55.372 55.372 58.262 -2.890 18282 1849 1 3 . 1 1 122 122 HIS CB C 123 29.165 29.165 29.933 -0.768 18282 1850 1 3 . 1 1 122 122 HIS H H 123 8.595 8.595 8.218 0.377 18282 1851 1 3 . 1 1 123 123 HIS N N 124 120.343 120.343 115.607 4.736 18282 1852 1 3 . 1 1 123 123 HIS CA C 124 57.380 57.380 55.255 2.125 18282 1853 1 3 . 1 1 123 123 HIS CB C 124 35.491 35.491 31.204 4.287 18282 1854 1 3 . 1 1 123 123 HIS H H 124 8.558 8.558 8.145 0.413 18282 1855 1 4 . 1 1 2 2 GLN N N 3 122.228 122.228 120.472 1.756 18282 1856 1 4 . 1 1 2 2 GLN HA H 3 3.896 3.896 4.012 -0.116 18282 1857 1 4 . 1 1 2 2 GLN C C 3 178.672 178.672 178.006 0.666 18282 1858 1 4 . 1 1 2 2 GLN CA C 3 58.794 58.794 58.593 0.201 18282 1859 1 4 . 1 1 2 2 GLN H H 3 9.310 9.310 8.581 0.729 18282 1860 1 4 . 1 1 3 3 GLU N N 4 119.529 119.529 119.323 0.206 18282 1861 1 4 . 1 1 3 3 GLU C C 4 175.504 175.504 178.562 -3.058 18282 1862 1 4 . 1 1 3 3 GLU CA C 4 59.561 59.561 58.219 1.341 18282 1863 1 4 . 1 1 3 3 GLU CB C 4 28.876 28.876 28.890 -0.014 18282 1864 1 4 . 1 1 3 3 GLU H H 4 8.489 8.489 8.727 -0.238 18282 1865 1 4 . 1 1 4 4 LEU N N 5 114.832 114.832 122.291 -7.459 18282 1866 1 4 . 1 1 4 4 LEU HA H 5 3.716 3.716 3.992 -0.276 18282 1867 1 4 . 1 1 4 4 LEU C C 5 178.276 178.276 178.034 0.242 18282 1868 1 4 . 1 1 4 4 LEU CA C 5 57.813 57.813 57.866 -0.053 18282 1869 1 4 . 1 1 4 4 LEU CB C 5 40.844 40.844 41.631 -0.787 18282 1870 1 4 . 1 1 4 4 LEU H H 5 8.210 8.210 8.026 0.184 18282 1871 1 4 . 1 1 5 5 SER N N 6 109.726 109.726 114.061 -4.335 18282 1872 1 4 . 1 1 5 5 SER HA H 6 4.127 4.127 4.074 0.053 18282 1873 1 4 . 1 1 5 5 SER C C 6 178.508 178.508 177.068 1.440 18282 1874 1 4 . 1 1 5 5 SER CA C 6 60.401 60.401 62.019 -1.618 18282 1875 1 4 . 1 1 5 5 SER CB C 6 63.535 63.535 62.868 0.667 18282 1876 1 4 . 1 1 5 5 SER H H 6 8.247 8.247 7.721 0.526 18282 1877 1 4 . 1 1 6 6 GLN N N 7 117.203 117.203 119.660 -2.457 18282 1878 1 4 . 1 1 6 6 GLN HA H 7 4.026 4.026 4.088 -0.062 18282 1879 1 4 . 1 1 6 6 GLN CA C 7 58.474 58.474 58.611 -0.137 18282 1880 1 4 . 1 1 6 6 GLN H H 7 8.719 8.719 8.637 0.082 18282 1881 1 4 . 1 1 7 7 HIS C C 8 178.622 178.622 177.377 1.245 18282 1882 1 4 . 1 1 8 8 GLU N N 9 120.357 120.357 118.505 1.852 18282 1883 1 4 . 1 1 8 8 GLU HA H 9 3.969 3.969 4.048 -0.079 18282 1884 1 4 . 1 1 8 8 GLU C C 9 178.408 178.408 179.187 -0.779 18282 1885 1 4 . 1 1 8 8 GLU CA C 9 58.244 58.244 59.682 -1.438 18282 1886 1 4 . 1 1 8 8 GLU CB C 9 29.013 29.013 29.425 -0.412 18282 1887 1 4 . 1 1 8 8 GLU H H 9 7.701 7.701 7.874 -0.173 18282 1888 1 4 . 1 1 9 9 ARG N N 10 118.791 118.791 118.811 -0.020 18282 1889 1 4 . 1 1 9 9 ARG HA H 10 4.124 4.124 4.004 0.120 18282 1890 1 4 . 1 1 9 9 ARG C C 10 178.599 178.599 178.536 0.063 18282 1891 1 4 . 1 1 9 9 ARG CA C 10 58.633 58.633 59.286 -0.653 18282 1892 1 4 . 1 1 9 9 ARG CB C 10 29.005 29.005 30.118 -1.113 18282 1893 1 4 . 1 1 9 9 ARG H H 10 8.910 8.910 7.530 1.380 18282 1894 1 4 . 1 1 10 10 TYR N N 11 121.239 121.239 122.067 -0.828 18282 1895 1 4 . 1 1 10 10 TYR HA H 11 4.186 4.186 4.087 0.099 18282 1896 1 4 . 1 1 10 10 TYR C C 11 176.644 176.644 177.322 -0.678 18282 1897 1 4 . 1 1 10 10 TYR CA C 11 61.311 61.311 61.043 0.268 18282 1898 1 4 . 1 1 10 10 TYR CB C 11 37.956 37.956 37.725 0.231 18282 1899 1 4 . 1 1 10 10 TYR H H 11 7.562 7.562 8.423 -0.861 18282 1900 1 4 . 1 1 11 11 VAL N N 12 119.249 119.249 119.322 -0.073 18282 1901 1 4 . 1 1 11 11 VAL HA H 12 3.119 3.119 2.677 0.442 18282 1902 1 4 . 1 1 11 11 VAL C C 12 177.275 177.275 178.203 -0.928 18282 1903 1 4 . 1 1 11 11 VAL CA C 12 66.925 66.925 66.123 0.802 18282 1904 1 4 . 1 1 11 11 VAL CB C 12 30.981 30.981 31.021 -0.040 18282 1905 1 4 . 1 1 11 11 VAL H H 12 8.087 8.087 7.267 0.820 18282 1906 1 4 . 1 1 12 12 GLU N N 13 119.569 119.569 118.414 1.155 18282 1907 1 4 . 1 1 12 12 GLU HA H 13 4.213 4.213 3.968 0.245 18282 1908 1 4 . 1 1 12 12 GLU C C 13 175.207 175.207 178.978 -3.771 18282 1909 1 4 . 1 1 12 12 GLU CA C 13 55.971 55.971 59.217 -3.246 18282 1910 1 4 . 1 1 12 12 GLU CB C 13 28.439 28.439 29.282 -0.843 18282 1911 1 4 . 1 1 12 12 GLU H H 13 8.312 8.312 7.454 0.858 18282 1912 1 4 . 1 1 13 13 GLN N N 14 119.375 119.375 120.743 -1.368 18282 1913 1 4 . 1 1 13 13 GLN HA H 14 3.657 3.657 4.048 -0.391 18282 1914 1 4 . 1 1 13 13 GLN CA C 14 54.294 54.294 58.339 -4.045 18282 1915 1 4 . 1 1 13 13 GLN CB C 14 29.681 29.681 28.237 1.444 18282 1916 1 4 . 1 1 13 13 GLN H H 14 7.690 7.690 8.741 -1.051 18282 1917 1 4 . 1 1 14 14 LEU HA H 15 3.865 3.865 3.977 -0.112 18282 1918 1 4 . 1 1 14 14 LEU CA C 15 58.177 58.177 57.643 0.534 18282 1919 1 4 . 1 1 14 14 LEU CB C 15 40.693 40.693 41.294 -0.601 18282 1920 1 4 . 1 1 15 15 LYS HA H 16 3.737 3.737 3.916 -0.179 18282 1921 1 4 . 1 1 15 15 LYS C C 16 177.817 177.817 179.617 -1.800 18282 1922 1 4 . 1 1 15 15 LYS CA C 16 60.352 60.352 59.432 0.920 18282 1923 1 4 . 1 1 15 15 LYS CB C 16 32.106 32.106 32.120 -0.014 18282 1924 1 4 . 1 1 16 16 GLN N N 17 117.498 117.498 118.586 -1.088 18282 1925 1 4 . 1 1 16 16 GLN HA H 17 3.864 3.864 4.056 -0.192 18282 1926 1 4 . 1 1 16 16 GLN CA C 17 58.307 58.307 58.293 0.014 18282 1927 1 4 . 1 1 16 16 GLN CB C 17 27.788 27.788 28.731 -0.943 18282 1928 1 4 . 1 1 16 16 GLN H H 17 7.862 7.862 7.981 -0.119 18282 1929 1 4 . 1 1 17 17 ALA HA H 18 3.793 3.793 4.032 -0.239 18282 1930 1 4 . 1 1 17 17 ALA C C 18 179.147 179.147 178.805 0.342 18282 1931 1 4 . 1 1 17 17 ALA CA C 18 54.792 54.792 54.788 0.004 18282 1932 1 4 . 1 1 17 17 ALA CB C 18 17.693 17.693 18.317 -0.624 18282 1933 1 4 . 1 1 18 18 LEU N N 19 117.278 117.278 117.602 -0.324 18282 1934 1 4 . 1 1 18 18 LEU HA H 19 3.784 3.784 3.990 -0.206 18282 1935 1 4 . 1 1 18 18 LEU C C 19 174.935 174.935 179.004 -4.069 18282 1936 1 4 . 1 1 18 18 LEU CA C 19 57.731 57.731 56.741 0.990 18282 1937 1 4 . 1 1 18 18 LEU CB C 19 40.703 40.703 41.764 -1.060 18282 1938 1 4 . 1 1 18 18 LEU H H 19 8.168 8.168 7.474 0.694 18282 1939 1 4 . 1 1 19 19 LYS N N 20 118.025 118.025 121.114 -3.089 18282 1940 1 4 . 1 1 19 19 LYS C C 20 177.982 177.982 178.997 -1.015 18282 1941 1 4 . 1 1 19 19 LYS CA C 20 60.439 60.439 59.304 1.135 18282 1942 1 4 . 1 1 19 19 LYS H H 20 8.345 8.345 7.627 0.718 18282 1943 1 4 . 1 1 20 20 THR N N 21 116.345 116.345 111.306 5.039 18282 1944 1 4 . 1 1 20 20 THR HA H 21 4.126 4.126 4.185 -0.059 18282 1945 1 4 . 1 1 20 20 THR C C 21 175.469 175.469 175.685 -0.216 18282 1946 1 4 . 1 1 20 20 THR CA C 21 64.643 64.643 64.152 0.491 18282 1947 1 4 . 1 1 20 20 THR CB C 21 68.652 68.652 68.581 0.071 18282 1948 1 4 . 1 1 20 20 THR H H 21 7.896 7.896 7.605 0.291 18282 1949 1 4 . 1 1 21 21 ARG N N 22 118.792 118.792 119.779 -0.987 18282 1950 1 4 . 1 1 21 21 ARG HA H 22 4.375 4.375 4.286 0.089 18282 1951 1 4 . 1 1 21 21 ARG C C 22 176.364 176.364 176.623 -0.259 18282 1952 1 4 . 1 1 21 21 ARG CA C 22 54.157 54.157 55.145 -0.988 18282 1953 1 4 . 1 1 21 21 ARG CB C 22 29.453 29.453 29.455 -0.002 18282 1954 1 4 . 1 1 21 21 ARG H H 22 7.317 7.317 7.958 -0.641 18282 1955 1 4 . 1 1 22 22 GLY N N 23 108.428 108.428 106.734 1.694 18282 1956 1 4 . 1 1 22 22 GLY C C 23 174.154 174.154 174.225 -0.071 18282 1957 1 4 . 1 1 22 22 GLY CA C 23 45.953 45.953 45.056 0.896 18282 1958 1 4 . 1 1 22 22 GLY H H 23 7.881 7.881 7.620 0.261 18282 1959 1 4 . 1 1 23 23 VAL N N 24 117.319 117.319 119.023 -1.704 18282 1960 1 4 . 1 1 23 23 VAL HA H 24 4.036 4.036 4.162 -0.126 18282 1961 1 4 . 1 1 23 23 VAL C C 24 175.601 175.601 175.074 0.527 18282 1962 1 4 . 1 1 23 23 VAL CA C 24 61.635 61.635 60.933 0.702 18282 1963 1 4 . 1 1 23 23 VAL CB C 24 32.589 32.589 33.219 -0.630 18282 1964 1 4 . 1 1 23 23 VAL H H 24 7.431 7.431 7.368 0.063 18282 1965 1 4 . 1 1 24 24 LYS N N 25 127.424 127.424 122.333 5.091 18282 1966 1 4 . 1 1 24 24 LYS HA H 25 4.336 4.336 4.668 -0.332 18282 1967 1 4 . 1 1 24 24 LYS C C 25 175.550 175.550 174.825 0.725 18282 1968 1 4 . 1 1 24 24 LYS CA C 25 55.811 55.811 55.400 0.411 18282 1969 1 4 . 1 1 24 24 LYS CB C 25 32.269 32.269 33.949 -1.680 18282 1970 1 4 . 1 1 24 24 LYS H H 25 8.665 8.665 8.322 0.343 18282 1971 1 4 . 1 1 25 25 VAL N N 26 120.764 120.764 118.426 2.338 18282 1972 1 4 . 1 1 25 25 VAL HA H 26 4.140 4.140 4.612 -0.472 18282 1973 1 4 . 1 1 25 25 VAL C C 26 174.206 174.206 174.979 -0.773 18282 1974 1 4 . 1 1 25 25 VAL CA C 26 60.316 60.316 60.496 -0.180 18282 1975 1 4 . 1 1 25 25 VAL CB C 26 33.920 33.920 33.139 0.781 18282 1976 1 4 . 1 1 25 25 VAL H H 26 7.545 7.545 8.275 -0.730 18282 1977 1 4 . 1 1 26 26 LYS N N 27 125.707 125.707 124.752 0.955 18282 1978 1 4 . 1 1 26 26 LYS HA H 27 4.115 4.115 4.513 -0.398 18282 1979 1 4 . 1 1 26 26 LYS CA C 27 55.211 55.211 54.589 0.622 18282 1980 1 4 . 1 1 26 26 LYS CB C 27 31.930 31.930 34.370 -2.440 18282 1981 1 4 . 1 1 26 26 LYS H H 27 8.608 8.608 8.320 0.288 18282 1982 1 4 . 1 1 27 27 TYR CA C 28 56.418 56.418 61.955 -5.537 18282 1983 1 4 . 1 1 27 27 TYR CB C 28 37.036 37.036 37.271 -0.235 18282 1984 1 4 . 1 1 28 28 ALA N N 29 120.712 120.712 121.242 -0.530 18282 1985 1 4 . 1 1 28 28 ALA HA H 29 3.712 3.712 4.047 -0.335 18282 1986 1 4 . 1 1 28 28 ALA C C 29 180.210 180.210 179.653 0.557 18282 1987 1 4 . 1 1 28 28 ALA CA C 29 54.911 54.911 54.750 0.161 18282 1988 1 4 . 1 1 28 28 ALA CB C 29 18.034 18.034 17.516 0.518 18282 1989 1 4 . 1 1 28 28 ALA H H 29 8.326 8.326 8.556 -0.230 18282 1990 1 4 . 1 1 29 29 ASP N N 30 117.166 117.166 119.671 -2.505 18282 1991 1 4 . 1 1 29 29 ASP HA H 30 4.379 4.379 4.492 -0.113 18282 1992 1 4 . 1 1 29 29 ASP C C 30 178.427 178.427 178.749 -0.322 18282 1993 1 4 . 1 1 29 29 ASP CA C 30 56.459 56.459 57.422 -0.963 18282 1994 1 4 . 1 1 29 29 ASP CB C 30 39.962 39.962 40.266 -0.304 18282 1995 1 4 . 1 1 29 29 ASP H H 30 6.913 6.913 8.207 -1.294 18282 1996 1 4 . 1 1 30 30 LEU N N 31 123.105 123.105 120.037 3.068 18282 1997 1 4 . 1 1 30 30 LEU HA H 31 3.491 3.491 4.272 -0.781 18282 1998 1 4 . 1 1 30 30 LEU CA C 31 56.841 56.841 58.038 -1.197 18282 1999 1 4 . 1 1 30 30 LEU CB C 31 40.888 40.888 42.079 -1.191 18282 2000 1 4 . 1 1 30 30 LEU H H 31 7.543 7.543 7.745 -0.202 18282 2001 1 4 . 1 1 31 31 LEU HA H 32 3.611 3.611 3.991 -0.380 18282 2002 1 4 . 1 1 31 31 LEU C C 32 179.120 179.120 179.669 -0.549 18282 2003 1 4 . 1 1 31 31 LEU CA C 32 58.103 58.103 58.020 0.083 18282 2004 1 4 . 1 1 31 31 LEU CB C 32 40.594 40.594 41.467 -0.873 18282 2005 1 4 . 1 1 32 32 LYS N N 33 118.074 118.074 119.046 -0.972 18282 2006 1 4 . 1 1 32 32 LYS HA H 33 4.202 4.202 4.577 -0.375 18282 2007 1 4 . 1 1 32 32 LYS C C 33 180.044 180.044 179.226 0.818 18282 2008 1 4 . 1 1 32 32 LYS CA C 33 59.081 59.081 58.680 0.401 18282 2009 1 4 . 1 1 32 32 LYS CB C 33 31.735 31.735 33.206 -1.471 18282 2010 1 4 . 1 1 32 32 LYS H H 33 7.189 7.189 8.267 -1.078 18282 2011 1 4 . 1 1 33 33 PHE N N 34 122.977 122.977 120.383 2.594 18282 2012 1 4 . 1 1 33 33 PHE CA C 34 60.402 60.402 62.191 -1.789 18282 2013 1 4 . 1 1 33 33 PHE H H 34 7.768 7.768 8.747 -0.979 18282 2014 1 4 . 1 1 34 34 PHE HA H 35 3.800 3.800 4.272 -0.472 18282 2015 1 4 . 1 1 34 34 PHE C C 35 176.355 176.355 177.345 -0.990 18282 2016 1 4 . 1 1 34 34 PHE CA C 35 61.813 61.813 61.212 0.602 18282 2017 1 4 . 1 1 34 34 PHE CB C 35 37.164 37.164 39.102 -1.938 18282 2018 1 4 . 1 1 35 35 ASP N N 36 119.969 119.969 119.830 0.139 18282 2019 1 4 . 1 1 35 35 ASP C C 36 177.087 177.087 178.216 -1.129 18282 2020 1 4 . 1 1 35 35 ASP CA C 36 58.278 58.278 57.453 0.825 18282 2021 1 4 . 1 1 35 35 ASP CB C 36 39.578 39.578 40.653 -1.075 18282 2022 1 4 . 1 1 35 35 ASP H H 36 8.338 8.338 7.996 0.342 18282 2023 1 4 . 1 1 36 36 PHE N N 37 122.901 122.901 121.278 1.623 18282 2024 1 4 . 1 1 36 36 PHE C C 37 178.788 178.788 177.251 1.537 18282 2025 1 4 . 1 1 36 36 PHE CA C 37 61.416 61.416 61.880 -0.464 18282 2026 1 4 . 1 1 36 36 PHE CB C 37 38.369 38.369 39.516 -1.147 18282 2027 1 4 . 1 1 36 36 PHE H H 37 7.860 7.860 8.517 -0.657 18282 2028 1 4 . 1 1 37 37 VAL N N 38 122.329 122.329 115.520 6.809 18282 2029 1 4 . 1 1 37 37 VAL HA H 38 3.100 3.100 3.921 -0.821 18282 2030 1 4 . 1 1 37 37 VAL C C 38 176.147 176.147 178.322 -2.175 18282 2031 1 4 . 1 1 37 37 VAL CA C 38 67.153 67.153 65.440 1.713 18282 2032 1 4 . 1 1 37 37 VAL CB C 38 30.625 30.625 31.467 -0.842 18282 2033 1 4 . 1 1 37 37 VAL H H 38 8.451 8.451 8.037 0.414 18282 2034 1 4 . 1 1 38 38 LYS N N 39 118.837 118.837 121.462 -2.625 18282 2035 1 4 . 1 1 38 38 LYS HA H 39 3.473 3.473 4.136 -0.663 18282 2036 1 4 . 1 1 38 38 LYS C C 39 176.361 176.361 178.245 -1.884 18282 2037 1 4 . 1 1 38 38 LYS CA C 39 59.519 59.519 59.555 -0.036 18282 2038 1 4 . 1 1 38 38 LYS CB C 39 31.628 31.628 32.367 -0.739 18282 2039 1 4 . 1 1 38 38 LYS H H 39 7.581 7.581 7.830 -0.249 18282 2040 1 4 . 1 1 39 39 ASP N N 40 116.210 116.210 118.180 -1.970 18282 2041 1 4 . 1 1 39 39 ASP HA H 40 4.261 4.261 4.560 -0.299 18282 2042 1 4 . 1 1 39 39 ASP CA C 40 56.580 56.580 56.511 0.069 18282 2043 1 4 . 1 1 39 39 ASP CB C 40 40.977 40.977 40.717 0.260 18282 2044 1 4 . 1 1 39 39 ASP H H 40 8.052 8.052 7.821 0.231 18282 2045 1 4 . 1 1 40 40 THR N N 41 109.215 109.215 111.924 -2.709 18282 2046 1 4 . 1 1 40 40 THR C C 41 174.559 174.559 175.877 -1.318 18282 2047 1 4 . 1 1 40 40 THR H H 41 7.232 7.232 7.883 -0.651 18282 2048 1 4 . 1 1 41 41 CYS N N 42 117.927 117.927 121.031 -3.104 18282 2049 1 4 . 1 1 41 41 CYS CA C 42 55.865 55.865 59.492 -3.627 18282 2050 1 4 . 1 1 41 41 CYS CB C 42 28.500 28.500 25.902 2.598 18282 2051 1 4 . 1 1 41 41 CYS H H 42 7.197 7.197 8.524 -1.327 18282 2052 1 4 . 1 1 42 42 PRO HA H 43 3.987 3.987 4.100 -0.113 18282 2053 1 4 . 1 1 42 42 PRO C C 43 176.688 176.688 175.608 1.080 18282 2054 1 4 . 1 1 42 42 PRO CA C 43 65.206 65.206 64.313 0.893 18282 2055 1 4 . 1 1 42 42 PRO CB C 43 30.767 30.767 31.884 -1.117 18282 2056 1 4 . 1 1 43 43 TRP N N 44 113.805 113.805 117.520 -3.715 18282 2057 1 4 . 1 1 43 43 TRP HA H 44 4.361 4.361 4.654 -0.293 18282 2058 1 4 . 1 1 43 43 TRP C C 44 176.982 176.982 175.484 1.498 18282 2059 1 4 . 1 1 43 43 TRP CA C 44 61.758 61.758 56.159 5.599 18282 2060 1 4 . 1 1 43 43 TRP CB C 44 27.771 27.771 28.509 -0.738 18282 2061 1 4 . 1 1 43 43 TRP H H 44 6.632 6.632 7.928 -1.296 18282 2062 1 4 . 1 1 44 44 PHE N N 45 123.019 123.019 116.089 6.930 18282 2063 1 4 . 1 1 44 44 PHE HA H 45 4.043 4.043 4.170 -0.127 18282 2064 1 4 . 1 1 44 44 PHE CA C 45 62.990 62.990 57.986 5.003 18282 2065 1 4 . 1 1 44 44 PHE CB C 45 35.109 35.109 36.518 -1.409 18282 2066 1 4 . 1 1 44 44 PHE H H 45 7.302 7.302 7.161 0.141 18282 2067 1 4 . 1 1 45 45 PRO HA H 46 4.015 4.015 4.051 -0.036 18282 2068 1 4 . 1 1 45 45 PRO C C 46 176.462 176.462 177.127 -0.665 18282 2069 1 4 . 1 1 45 45 PRO CA C 46 64.582 64.582 64.478 0.104 18282 2070 1 4 . 1 1 45 45 PRO CB C 46 30.254 30.254 31.478 -1.224 18282 2071 1 4 . 1 1 46 46 GLN N N 47 114.404 114.404 117.486 -3.082 18282 2072 1 4 . 1 1 46 46 GLN HA H 47 3.941 3.941 4.113 -0.172 18282 2073 1 4 . 1 1 46 46 GLN C C 47 177.234 177.234 176.768 0.466 18282 2074 1 4 . 1 1 46 46 GLN CA C 47 58.328 58.328 58.422 -0.094 18282 2075 1 4 . 1 1 46 46 GLN CB C 47 28.471 28.471 29.056 -0.585 18282 2076 1 4 . 1 1 46 46 GLN H H 47 6.544 6.544 8.463 -1.919 18282 2077 1 4 . 1 1 47 47 GLU N N 48 117.356 117.356 115.102 2.254 18282 2078 1 4 . 1 1 47 47 GLU HA H 48 4.085 4.085 4.275 -0.190 18282 2079 1 4 . 1 1 47 47 GLU C C 48 179.130 179.130 177.080 2.050 18282 2080 1 4 . 1 1 47 47 GLU CA C 48 58.215 58.215 56.419 1.796 18282 2081 1 4 . 1 1 47 47 GLU CB C 48 29.247 29.247 31.084 -1.837 18282 2082 1 4 . 1 1 47 47 GLU H H 48 7.710 7.710 7.738 -0.028 18282 2083 1 4 . 1 1 48 48 GLY N N 49 105.456 105.456 110.270 -4.814 18282 2084 1 4 . 1 1 48 48 GLY C C 49 171.006 171.006 173.201 -2.195 18282 2085 1 4 . 1 1 48 48 GLY CA C 49 47.085 47.085 45.476 1.609 18282 2086 1 4 . 1 1 48 48 GLY H H 49 7.296 7.296 8.162 -0.866 18282 2087 1 4 . 1 1 49 49 THR N N 50 114.015 114.015 112.902 1.113 18282 2088 1 4 . 1 1 49 49 THR HA H 50 4.248 4.248 4.852 -0.604 18282 2089 1 4 . 1 1 49 49 THR CA C 50 61.830 61.830 59.057 2.773 18282 2090 1 4 . 1 1 49 49 THR CB C 50 70.692 70.692 71.222 -0.530 18282 2091 1 4 . 1 1 49 49 THR H H 50 7.599 7.599 7.452 0.147 18282 2092 1 4 . 1 1 50 50 ILE HA H 51 4.135 4.135 4.245 -0.110 18282 2093 1 4 . 1 1 50 50 ILE C C 51 172.608 172.608 174.612 -2.004 18282 2094 1 4 . 1 1 50 50 ILE CA C 51 59.075 59.075 60.743 -1.668 18282 2095 1 4 . 1 1 50 50 ILE CB C 51 35.416 35.416 39.283 -3.867 18282 2096 1 4 . 1 1 51 51 ASP N N 52 121.859 121.859 126.578 -4.719 18282 2097 1 4 . 1 1 51 51 ASP HA H 52 4.625 4.625 4.974 -0.349 18282 2098 1 4 . 1 1 51 51 ASP C C 52 175.770 175.770 176.114 -0.344 18282 2099 1 4 . 1 1 51 51 ASP CA C 52 51.634 51.634 52.763 -1.129 18282 2100 1 4 . 1 1 51 51 ASP CB C 52 42.528 42.528 43.053 -0.525 18282 2101 1 4 . 1 1 51 51 ASP H H 52 7.176 7.176 9.499 -2.323 18282 2102 1 4 . 1 1 52 52 ILE N N 53 119.549 119.549 124.556 -5.007 18282 2103 1 4 . 1 1 52 52 ILE HA H 53 4.150 4.150 4.122 0.028 18282 2104 1 4 . 1 1 52 52 ILE C C 53 176.961 176.961 177.285 -0.324 18282 2105 1 4 . 1 1 52 52 ILE CA C 53 61.899 61.899 61.842 0.057 18282 2106 1 4 . 1 1 52 52 ILE CB C 53 37.700 37.700 37.834 -0.134 18282 2107 1 4 . 1 1 52 52 ILE H H 53 8.777 8.777 8.941 -0.164 18282 2108 1 4 . 1 1 53 53 LYS N N 54 123.515 123.515 120.630 2.885 18282 2109 1 4 . 1 1 53 53 LYS HA H 54 4.116 4.116 4.164 -0.048 18282 2110 1 4 . 1 1 53 53 LYS C C 54 180.448 180.448 178.797 1.651 18282 2111 1 4 . 1 1 53 53 LYS CA C 54 59.934 59.934 59.081 0.852 18282 2112 1 4 . 1 1 53 53 LYS CB C 54 31.875 31.875 32.553 -0.679 18282 2113 1 4 . 1 1 53 53 LYS H H 54 8.106 8.106 8.190 -0.084 18282 2114 1 4 . 1 1 54 54 ARG N N 55 120.371 120.371 119.227 1.144 18282 2115 1 4 . 1 1 54 54 ARG HA H 55 4.422 4.422 3.899 0.523 18282 2116 1 4 . 1 1 54 54 ARG C C 55 179.159 179.159 177.794 1.365 18282 2117 1 4 . 1 1 54 54 ARG CA C 55 59.726 59.726 59.099 0.627 18282 2118 1 4 . 1 1 54 54 ARG CB C 55 37.368 37.368 29.956 7.412 18282 2119 1 4 . 1 1 54 54 ARG H H 55 9.183 9.183 8.856 0.327 18282 2120 1 4 . 1 1 55 55 TRP N N 56 120.755 120.755 120.501 0.254 18282 2121 1 4 . 1 1 55 55 TRP HA H 56 4.747 4.747 3.725 1.022 18282 2122 1 4 . 1 1 55 55 TRP C C 56 179.954 179.954 177.119 2.835 18282 2123 1 4 . 1 1 55 55 TRP CA C 56 60.105 60.105 59.566 0.539 18282 2124 1 4 . 1 1 55 55 TRP CB C 56 29.997 29.997 29.206 0.791 18282 2125 1 4 . 1 1 55 55 TRP H H 56 8.927 8.927 7.512 1.415 18282 2126 1 4 . 1 1 56 56 ARG N N 57 122.194 122.194 117.526 4.668 18282 2127 1 4 . 1 1 56 56 ARG HA H 57 4.406 4.406 3.283 1.123 18282 2128 1 4 . 1 1 56 56 ARG C C 57 178.101 178.101 177.995 0.106 18282 2129 1 4 . 1 1 56 56 ARG CA C 57 60.198 60.198 59.532 0.666 18282 2130 1 4 . 1 1 56 56 ARG CB C 57 29.585 29.585 29.306 0.279 18282 2131 1 4 . 1 1 56 56 ARG H H 57 9.220 9.220 7.405 1.815 18282 2132 1 4 . 1 1 57 57 ARG N N 58 120.674 120.674 119.768 0.906 18282 2133 1 4 . 1 1 57 57 ARG HA H 58 4.186 4.186 3.922 0.264 18282 2134 1 4 . 1 1 57 57 ARG C C 58 179.445 179.445 178.064 1.381 18282 2135 1 4 . 1 1 57 57 ARG CA C 58 59.832 59.832 59.416 0.416 18282 2136 1 4 . 1 1 57 57 ARG CB C 58 29.753 29.753 29.710 0.043 18282 2137 1 4 . 1 1 57 57 ARG H H 58 7.605 7.605 7.231 0.374 18282 2138 1 4 . 1 1 58 58 VAL N N 59 121.833 121.833 118.184 3.649 18282 2139 1 4 . 1 1 58 58 VAL HA H 59 3.675 3.675 3.863 -0.188 18282 2140 1 4 . 1 1 58 58 VAL C C 59 176.565 176.565 177.159 -0.594 18282 2141 1 4 . 1 1 58 58 VAL CA C 59 65.920 65.920 64.956 0.964 18282 2142 1 4 . 1 1 58 58 VAL CB C 59 30.785 30.785 31.145 -0.360 18282 2143 1 4 . 1 1 58 58 VAL H H 59 7.819 7.819 7.407 0.412 18282 2144 1 4 . 1 1 59 59 GLY N N 60 106.521 106.521 107.239 -0.718 18282 2145 1 4 . 1 1 59 59 GLY C C 60 175.923 175.923 175.504 0.419 18282 2146 1 4 . 1 1 59 59 GLY CA C 60 45.982 45.982 46.751 -0.769 18282 2147 1 4 . 1 1 59 59 GLY H H 60 7.540 7.540 7.867 -0.327 18282 2148 1 4 . 1 1 60 60 ASP N N 61 123.066 123.066 123.148 -0.082 18282 2149 1 4 . 1 1 60 60 ASP HA H 61 4.261 4.261 4.441 -0.180 18282 2150 1 4 . 1 1 60 60 ASP C C 61 178.537 178.537 178.107 0.430 18282 2151 1 4 . 1 1 60 60 ASP CA C 61 56.907 56.907 56.558 0.349 18282 2152 1 4 . 1 1 60 60 ASP CB C 61 39.654 39.654 40.496 -0.842 18282 2153 1 4 . 1 1 60 60 ASP H H 61 8.197 8.197 8.266 -0.069 18282 2154 1 4 . 1 1 61 61 CYS N N 62 121.005 121.005 118.696 2.309 18282 2155 1 4 . 1 1 61 61 CYS C C 62 177.083 177.083 177.219 -0.136 18282 2156 1 4 . 1 1 61 61 CYS CA C 62 62.380 62.380 63.742 -1.362 18282 2157 1 4 . 1 1 61 61 CYS CB C 62 26.011 26.011 27.453 -1.442 18282 2158 1 4 . 1 1 61 61 CYS H H 62 7.858 7.858 7.501 0.357 18282 2159 1 4 . 1 1 62 62 PHE N N 63 119.362 119.362 119.476 -0.114 18282 2160 1 4 . 1 1 62 62 PHE HA H 63 4.117 4.117 4.290 -0.173 18282 2161 1 4 . 1 1 62 62 PHE C C 63 178.081 178.081 178.015 0.066 18282 2162 1 4 . 1 1 62 62 PHE CA C 63 57.843 57.843 61.612 -3.769 18282 2163 1 4 . 1 1 62 62 PHE CB C 63 36.605 36.605 38.364 -1.759 18282 2164 1 4 . 1 1 62 62 PHE H H 63 8.530 8.530 7.924 0.606 18282 2165 1 4 . 1 1 63 63 GLN N N 64 118.829 118.829 119.916 -1.087 18282 2166 1 4 . 1 1 63 63 GLN HA H 64 4.199 4.199 4.016 0.183 18282 2167 1 4 . 1 1 63 63 GLN C C 64 177.645 177.645 177.788 -0.143 18282 2168 1 4 . 1 1 63 63 GLN CA C 64 59.094 59.094 59.524 -0.430 18282 2169 1 4 . 1 1 63 63 GLN CB C 64 28.337 28.337 28.554 -0.217 18282 2170 1 4 . 1 1 63 63 GLN H H 64 8.236 8.236 7.810 0.426 18282 2171 1 4 . 1 1 64 64 ASP N N 65 120.234 120.234 120.583 -0.349 18282 2172 1 4 . 1 1 64 64 ASP HA H 65 4.481 4.481 4.332 0.149 18282 2173 1 4 . 1 1 64 64 ASP CA C 65 57.301 57.301 57.050 0.251 18282 2174 1 4 . 1 1 64 64 ASP CB C 65 40.773 40.773 40.425 0.348 18282 2175 1 4 . 1 1 64 64 ASP H H 65 8.257 8.257 7.748 0.509 18282 2176 1 4 . 1 1 65 65 TYR HA H 66 4.598 4.598 4.186 0.412 18282 2177 1 4 . 1 1 65 65 TYR C C 66 178.524 178.524 178.523 0.001 18282 2178 1 4 . 1 1 65 65 TYR CA C 66 60.355 60.355 61.603 -1.248 18282 2179 1 4 . 1 1 65 65 TYR CB C 66 37.796 37.796 38.231 -0.435 18282 2180 1 4 . 1 1 66 66 TYR N N 67 122.741 122.741 120.667 2.074 18282 2181 1 4 . 1 1 66 66 TYR HA H 67 4.044 4.044 4.258 -0.214 18282 2182 1 4 . 1 1 66 66 TYR C C 67 178.220 178.220 177.754 0.466 18282 2183 1 4 . 1 1 66 66 TYR CA C 67 61.726 61.726 62.341 -0.615 18282 2184 1 4 . 1 1 66 66 TYR CB C 67 38.932 38.932 38.527 0.405 18282 2185 1 4 . 1 1 66 66 TYR H H 67 9.083 9.083 8.895 0.188 18282 2186 1 4 . 1 1 67 67 ASN N N 68 118.530 118.530 115.638 2.892 18282 2187 1 4 . 1 1 67 67 ASN HA H 68 4.378 4.378 4.691 -0.313 18282 2188 1 4 . 1 1 67 67 ASN C C 68 176.633 176.633 176.648 -0.015 18282 2189 1 4 . 1 1 67 67 ASN CA C 68 55.293 55.293 56.187 -0.894 18282 2190 1 4 . 1 1 67 67 ASN CB C 68 37.860 37.860 38.049 -0.189 18282 2191 1 4 . 1 1 67 67 ASN H H 68 8.796 8.796 8.679 0.117 18282 2192 1 4 . 1 1 68 68 THR N N 69 114.328 114.328 109.405 4.923 18282 2193 1 4 . 1 1 68 68 THR HA H 69 3.872 3.872 4.026 -0.154 18282 2194 1 4 . 1 1 68 68 THR C C 69 174.832 174.832 174.896 -0.064 18282 2195 1 4 . 1 1 68 68 THR CA C 69 65.224 65.224 64.104 1.120 18282 2196 1 4 . 1 1 68 68 THR CB C 69 69.484 69.484 68.915 0.569 18282 2197 1 4 . 1 1 68 68 THR H H 69 7.960 7.960 7.396 0.564 18282 2198 1 4 . 1 1 69 69 PHE N N 70 118.107 118.107 120.959 -2.852 18282 2199 1 4 . 1 1 69 69 PHE HA H 70 4.626 4.626 4.681 -0.055 18282 2200 1 4 . 1 1 69 69 PHE C C 70 176.495 176.495 176.458 0.037 18282 2201 1 4 . 1 1 69 69 PHE CA C 70 58.409 58.409 58.884 -0.475 18282 2202 1 4 . 1 1 69 69 PHE CB C 70 40.742 40.742 40.809 -0.067 18282 2203 1 4 . 1 1 69 69 PHE H H 70 8.591 8.591 7.907 0.684 18282 2204 1 4 . 1 1 70 70 GLY N N 71 109.309 109.309 105.400 3.909 18282 2205 1 4 . 1 1 70 70 GLY CA C 71 44.684 44.684 43.917 0.767 18282 2206 1 4 . 1 1 70 70 GLY H H 71 7.893 7.893 8.488 -0.595 18282 2207 1 4 . 1 1 71 71 PRO HA H 72 4.691 4.691 4.988 -0.297 18282 2208 1 4 . 1 1 71 71 PRO C C 72 177.772 177.772 177.078 0.694 18282 2209 1 4 . 1 1 71 71 PRO CA C 72 63.458 63.458 64.099 -0.641 18282 2210 1 4 . 1 1 71 71 PRO CB C 72 31.823 31.823 32.184 -0.361 18282 2211 1 4 . 1 1 72 72 GLU N N 73 117.421 117.421 118.735 -1.314 18282 2212 1 4 . 1 1 72 72 GLU HA H 73 4.061 4.061 4.206 -0.145 18282 2213 1 4 . 1 1 72 72 GLU C C 73 177.236 177.236 177.212 0.024 18282 2214 1 4 . 1 1 72 72 GLU CA C 73 58.570 58.570 58.147 0.423 18282 2215 1 4 . 1 1 72 72 GLU CB C 73 28.853 28.853 29.026 -0.173 18282 2216 1 4 . 1 1 72 72 GLU H H 73 8.595 8.595 8.609 -0.014 18282 2217 1 4 . 1 1 73 73 LYS N N 74 116.846 116.846 118.388 -1.542 18282 2218 1 4 . 1 1 73 73 LYS HA H 74 4.381 4.381 4.222 0.159 18282 2219 1 4 . 1 1 73 73 LYS C C 74 175.662 175.662 177.118 -1.456 18282 2220 1 4 . 1 1 73 73 LYS CA C 74 55.263 55.263 56.313 -1.050 18282 2221 1 4 . 1 1 73 73 LYS CB C 74 33.891 33.891 32.482 1.409 18282 2222 1 4 . 1 1 73 73 LYS H H 74 7.493 7.493 8.114 -0.621 18282 2223 1 4 . 1 1 74 74 VAL N N 75 118.056 118.056 119.495 -1.439 18282 2224 1 4 . 1 1 74 74 VAL HA H 75 4.423 4.423 3.681 0.742 18282 2225 1 4 . 1 1 74 74 VAL CA C 75 58.438 58.438 62.217 -3.779 18282 2226 1 4 . 1 1 74 74 VAL CB C 75 33.763 33.763 30.297 3.466 18282 2227 1 4 . 1 1 74 74 VAL H H 75 7.342 7.342 7.600 -0.258 18282 2228 1 4 . 1 1 75 75 PRO HA H 76 4.585 4.585 4.294 0.291 18282 2229 1 4 . 1 1 75 75 PRO C C 76 178.543 178.543 177.843 0.700 18282 2230 1 4 . 1 1 75 75 PRO CA C 76 61.911 61.911 63.074 -1.163 18282 2231 1 4 . 1 1 75 75 PRO CB C 76 32.035 32.035 32.200 -0.165 18282 2232 1 4 . 1 1 76 76 VAL N N 77 119.825 119.825 123.908 -4.083 18282 2233 1 4 . 1 1 76 76 VAL HA H 77 3.921 3.921 3.720 0.201 18282 2234 1 4 . 1 1 76 76 VAL CA C 77 65.316 65.316 64.438 0.878 18282 2235 1 4 . 1 1 76 76 VAL CB C 77 31.316 31.316 31.474 -0.158 18282 2236 1 4 . 1 1 76 76 VAL H H 77 8.604 8.604 8.428 0.176 18282 2237 1 4 . 1 1 77 77 THR N N 78 109.390 109.390 112.936 -3.546 18282 2238 1 4 . 1 1 77 77 THR HA H 78 3.914 3.914 4.023 -0.109 18282 2239 1 4 . 1 1 77 77 THR C C 78 175.732 175.732 175.832 -0.100 18282 2240 1 4 . 1 1 77 77 THR CA C 78 62.803 62.803 65.329 -2.526 18282 2241 1 4 . 1 1 77 77 THR CB C 78 68.357 68.357 67.768 0.589 18282 2242 1 4 . 1 1 77 77 THR H H 78 7.380 7.380 8.196 -0.816 18282 2243 1 4 . 1 1 78 78 ALA N N 79 123.661 123.661 123.513 0.148 18282 2244 1 4 . 1 1 78 78 ALA HA H 79 4.001 4.001 4.055 -0.054 18282 2245 1 4 . 1 1 78 78 ALA C C 79 179.527 179.527 178.922 0.605 18282 2246 1 4 . 1 1 78 78 ALA CA C 79 55.091 55.091 54.534 0.557 18282 2247 1 4 . 1 1 78 78 ALA CB C 79 17.561 17.561 17.970 -0.409 18282 2248 1 4 . 1 1 78 78 ALA H H 79 7.811 7.811 7.372 0.439 18282 2249 1 4 . 1 1 79 79 PHE N N 80 114.258 114.258 117.244 -2.986 18282 2250 1 4 . 1 1 79 79 PHE HA H 80 4.452 4.452 3.212 1.240 18282 2251 1 4 . 1 1 79 79 PHE C C 80 178.586 178.586 177.622 0.964 18282 2252 1 4 . 1 1 79 79 PHE CA C 80 61.656 61.656 60.125 1.531 18282 2253 1 4 . 1 1 79 79 PHE CB C 80 37.694 37.694 38.192 -0.498 18282 2254 1 4 . 1 1 79 79 PHE H H 80 7.306 7.306 8.329 -1.023 18282 2255 1 4 . 1 1 80 80 SER N N 81 116.865 116.865 115.929 0.936 18282 2256 1 4 . 1 1 80 80 SER CA C 81 61.824 61.824 62.290 -0.466 18282 2257 1 4 . 1 1 80 80 SER H H 81 7.733 7.733 7.619 0.114 18282 2258 1 4 . 1 1 81 81 TYR N N 82 121.932 121.932 122.337 -0.405 18282 2259 1 4 . 1 1 81 81 TYR HA H 82 4.133 4.133 4.093 0.040 18282 2260 1 4 . 1 1 81 81 TYR C C 82 177.701 177.701 177.906 -0.205 18282 2261 1 4 . 1 1 81 81 TYR CA C 82 60.027 60.027 62.309 -2.282 18282 2262 1 4 . 1 1 81 81 TYR CB C 82 34.104 34.104 38.393 -4.289 18282 2263 1 4 . 1 1 81 81 TYR H H 82 8.151 8.151 7.441 0.710 18282 2264 1 4 . 1 1 82 82 TRP N N 83 120.817 120.817 117.584 3.233 18282 2265 1 4 . 1 1 82 82 TRP HA H 83 4.436 4.436 4.422 0.014 18282 2266 1 4 . 1 1 82 82 TRP CA C 83 63.975 63.975 58.156 5.819 18282 2267 1 4 . 1 1 82 82 TRP CB C 83 28.557 28.557 28.157 0.400 18282 2268 1 4 . 1 1 82 82 TRP H H 83 8.645 8.645 7.535 1.110 18282 2269 1 4 . 1 1 83 83 ASN HA H 84 4.230 4.230 4.547 -0.317 18282 2270 1 4 . 1 1 83 83 ASN C C 84 176.140 176.140 177.955 -1.815 18282 2271 1 4 . 1 1 83 83 ASN CA C 84 56.683 56.683 56.257 0.426 18282 2272 1 4 . 1 1 83 83 ASN CB C 84 39.116 39.116 37.907 1.210 18282 2273 1 4 . 1 1 84 84 LEU N N 85 121.884 121.884 122.054 -0.170 18282 2274 1 4 . 1 1 84 84 LEU HA H 85 4.054 4.054 4.173 -0.119 18282 2275 1 4 . 1 1 84 84 LEU C C 85 178.369 178.369 178.484 -0.115 18282 2276 1 4 . 1 1 84 84 LEU CA C 85 58.228 58.228 57.872 0.356 18282 2277 1 4 . 1 1 84 84 LEU CB C 85 41.576 41.576 41.989 -0.413 18282 2278 1 4 . 1 1 84 84 LEU H H 85 7.751 7.751 8.027 -0.276 18282 2279 1 4 . 1 1 85 85 ILE N N 86 116.825 116.825 118.746 -1.921 18282 2280 1 4 . 1 1 85 85 ILE HA H 86 3.462 3.462 3.565 -0.103 18282 2281 1 4 . 1 1 85 85 ILE C C 86 176.809 176.809 177.681 -0.872 18282 2282 1 4 . 1 1 85 85 ILE CA C 86 61.345 61.345 65.421 -4.076 18282 2283 1 4 . 1 1 85 85 ILE CB C 86 34.099 34.099 37.643 -3.544 18282 2284 1 4 . 1 1 85 85 ILE H H 86 7.952 7.952 8.627 -0.675 18282 2285 1 4 . 1 1 86 86 LYS N N 87 121.846 121.846 120.798 1.048 18282 2286 1 4 . 1 1 86 86 LYS HA H 87 3.231 3.231 4.006 -0.775 18282 2287 1 4 . 1 1 86 86 LYS C C 87 177.221 177.221 178.352 -1.131 18282 2288 1 4 . 1 1 86 86 LYS CA C 87 60.033 60.033 59.915 0.118 18282 2289 1 4 . 1 1 86 86 LYS CB C 87 31.005 31.005 32.436 -1.431 18282 2290 1 4 . 1 1 86 86 LYS H H 87 7.876 7.876 8.135 -0.259 18282 2291 1 4 . 1 1 87 87 GLU N N 88 116.331 116.331 118.738 -2.407 18282 2292 1 4 . 1 1 87 87 GLU HA H 88 3.861 3.861 4.398 -0.537 18282 2293 1 4 . 1 1 87 87 GLU C C 88 178.810 178.810 178.609 0.201 18282 2294 1 4 . 1 1 87 87 GLU CA C 88 58.949 58.949 58.080 0.869 18282 2295 1 4 . 1 1 87 87 GLU CB C 88 29.221 29.221 28.973 0.248 18282 2296 1 4 . 1 1 87 87 GLU H H 88 7.679 7.679 7.691 -0.012 18282 2297 1 4 . 1 1 88 88 LEU N N 89 118.090 118.090 120.736 -2.646 18282 2298 1 4 . 1 1 88 88 LEU HA H 89 3.909 3.909 4.051 -0.142 18282 2299 1 4 . 1 1 88 88 LEU CA C 89 57.688 57.688 58.052 -0.364 18282 2300 1 4 . 1 1 88 88 LEU CB C 89 41.436 41.436 42.077 -0.641 18282 2301 1 4 . 1 1 88 88 LEU H H 89 7.441 7.441 8.022 -0.581 18282 2302 1 4 . 1 1 89 89 ILE HA H 90 3.344 3.344 3.707 -0.363 18282 2303 1 4 . 1 1 89 89 ILE CA C 90 65.082 65.082 64.610 0.472 18282 2304 1 4 . 1 1 89 89 ILE CB C 90 37.556 37.556 37.659 -0.103 18282 2305 1 4 . 1 1 90 90 ASP HA H 91 3.894 3.894 4.407 -0.513 18282 2306 1 4 . 1 1 90 90 ASP CA C 91 57.678 57.678 55.633 2.045 18282 2307 1 4 . 1 1 90 90 ASP CB C 91 40.546 40.546 40.591 -0.045 18282 2308 1 4 . 1 1 91 91 LYS N N 92 119.422 119.422 120.690 -1.268 18282 2309 1 4 . 1 1 91 91 LYS CA C 92 54.600 54.600 56.565 -1.965 18282 2310 1 4 . 1 1 91 91 LYS CB C 92 32.014 32.014 33.145 -1.131 18282 2311 1 4 . 1 1 91 91 LYS H H 92 7.903 7.903 7.410 0.493 18282 2312 1 4 . 1 1 92 92 LYS HA H 93 4.541 4.541 4.083 0.458 18282 2313 1 4 . 1 1 92 92 LYS CA C 93 55.202 55.202 58.685 -3.483 18282 2314 1 4 . 1 1 92 92 LYS CB C 93 31.758 31.758 32.596 -0.838 18282 2315 1 4 . 1 1 93 93 GLU N N 94 115.922 115.922 119.283 -3.361 18282 2316 1 4 . 1 1 93 93 GLU HA H 94 4.283 4.283 4.398 -0.115 18282 2317 1 4 . 1 1 93 93 GLU C C 94 175.613 175.613 176.366 -0.753 18282 2318 1 4 . 1 1 93 93 GLU CA C 94 56.296 56.296 55.047 1.249 18282 2319 1 4 . 1 1 93 93 GLU CB C 94 29.415 29.415 28.826 0.589 18282 2320 1 4 . 1 1 93 93 GLU H H 94 8.140 8.140 8.418 -0.278 18282 2321 1 4 . 1 1 94 94 VAL N N 95 121.304 121.304 119.354 1.950 18282 2322 1 4 . 1 1 94 94 VAL HA H 95 3.773 3.773 3.684 0.089 18282 2323 1 4 . 1 1 94 94 VAL CA C 95 62.257 62.257 64.998 -2.740 18282 2324 1 4 . 1 1 94 94 VAL CB C 95 32.047 32.047 32.189 -0.142 18282 2325 1 4 . 1 1 94 94 VAL H H 95 8.003 8.003 7.468 0.535 18282 2326 1 4 . 1 1 95 95 ASN H H 96 7.518 7.518 7.873 -0.355 18282 2327 1 4 . 1 1 96 96 PRO HA H 97 4.319 4.319 4.217 0.102 18282 2328 1 4 . 1 1 96 96 PRO C C 97 179.088 179.088 177.853 1.235 18282 2329 1 4 . 1 1 96 96 PRO CA C 97 64.963 64.963 64.790 0.173 18282 2330 1 4 . 1 1 96 96 PRO CB C 97 32.035 32.035 31.830 0.205 18282 2331 1 4 . 1 1 97 97 GLN N N 98 117.793 117.793 117.005 0.788 18282 2332 1 4 . 1 1 97 97 GLN HA H 98 3.952 3.952 4.010 -0.058 18282 2333 1 4 . 1 1 97 97 GLN C C 98 179.272 179.272 177.510 1.762 18282 2334 1 4 . 1 1 97 97 GLN CA C 98 55.691 55.691 58.422 -2.731 18282 2335 1 4 . 1 1 97 97 GLN CB C 98 28.378 28.378 26.992 1.386 18282 2336 1 4 . 1 1 97 97 GLN H H 98 8.351 8.351 8.463 -0.112 18282 2337 1 4 . 1 1 98 98 VAL N N 99 121.247 121.247 120.834 0.413 18282 2338 1 4 . 1 1 98 98 VAL HA H 99 3.440 3.440 3.716 -0.276 18282 2339 1 4 . 1 1 98 98 VAL CA C 99 67.776 67.776 66.048 1.728 18282 2340 1 4 . 1 1 98 98 VAL CB C 99 31.574 31.574 31.492 0.082 18282 2341 1 4 . 1 1 98 98 VAL H H 99 7.901 7.901 7.480 0.421 18282 2342 1 4 . 1 1 100 100 ALA HA H 101 4.218 4.218 4.088 0.130 18282 2343 1 4 . 1 1 100 100 ALA C C 101 179.599 179.599 179.428 0.171 18282 2344 1 4 . 1 1 100 100 ALA CA C 101 54.685 54.685 54.777 -0.092 18282 2345 1 4 . 1 1 100 100 ALA CB C 101 17.562 17.562 17.992 -0.430 18282 2346 1 4 . 1 1 101 101 ALA N N 102 119.533 119.533 120.568 -1.035 18282 2347 1 4 . 1 1 101 101 ALA HA H 102 4.005 4.005 4.112 -0.107 18282 2348 1 4 . 1 1 101 101 ALA C C 102 180.970 180.970 178.642 2.328 18282 2349 1 4 . 1 1 101 101 ALA CA C 102 55.013 55.013 54.001 1.012 18282 2350 1 4 . 1 1 101 101 ALA CB C 102 17.422 17.422 18.268 -0.846 18282 2351 1 4 . 1 1 101 101 ALA H H 102 7.559 7.559 7.818 -0.259 18282 2352 1 4 . 1 1 102 102 VAL N N 103 122.669 122.669 118.129 4.540 18282 2353 1 4 . 1 1 102 102 VAL HA H 103 4.087 4.087 3.612 0.475 18282 2354 1 4 . 1 1 102 102 VAL C C 103 175.666 175.666 177.565 -1.899 18282 2355 1 4 . 1 1 102 102 VAL CA C 103 61.850 61.850 65.662 -3.812 18282 2356 1 4 . 1 1 102 102 VAL CB C 103 32.576 32.576 32.010 0.566 18282 2357 1 4 . 1 1 102 102 VAL H H 103 8.851 8.851 7.792 1.059 18282 2358 1 4 . 1 1 103 103 ALA N N 104 128.048 128.048 120.821 7.227 18282 2359 1 4 . 1 1 103 103 ALA HA H 104 4.288 4.288 4.064 0.225 18282 2360 1 4 . 1 1 103 103 ALA C C 104 177.344 177.344 177.766 -0.422 18282 2361 1 4 . 1 1 103 103 ALA CA C 104 52.194 52.194 54.126 -1.931 18282 2362 1 4 . 1 1 103 103 ALA CB C 104 19.021 19.021 19.100 -0.079 18282 2363 1 4 . 1 1 103 103 ALA H H 104 8.374 8.374 7.503 0.871 18282 2364 1 4 . 1 1 104 104 GLN N N 105 120.285 120.285 116.565 3.720 18282 2365 1 4 . 1 1 104 104 GLN HA H 105 4.281 4.281 4.536 -0.255 18282 2366 1 4 . 1 1 104 104 GLN CA C 105 55.656 55.656 55.258 0.398 18282 2367 1 4 . 1 1 104 104 GLN CB C 105 32.581 32.581 32.055 0.526 18282 2368 1 4 . 1 1 104 104 GLN H H 105 8.374 8.374 7.960 0.414 18282 2369 1 4 . 1 1 105 105 THR HA H 106 4.293 4.293 4.467 -0.174 18282 2370 1 4 . 1 1 105 105 THR C C 106 174.384 174.384 173.684 0.700 18282 2371 1 4 . 1 1 105 105 THR CA C 106 61.663 61.663 61.043 0.620 18282 2372 1 4 . 1 1 105 105 THR CB C 106 69.458 69.458 70.092 -0.634 18282 2373 1 4 . 1 1 106 106 GLU N N 107 122.744 122.744 123.075 -0.331 18282 2374 1 4 . 1 1 106 106 GLU HA H 107 4.241 4.241 3.906 0.335 18282 2375 1 4 . 1 1 106 106 GLU C C 107 176.331 176.331 175.439 0.892 18282 2376 1 4 . 1 1 106 106 GLU CA C 107 56.621 56.621 57.692 -1.071 18282 2377 1 4 . 1 1 106 106 GLU CB C 107 30.004 30.004 29.511 0.493 18282 2378 1 4 . 1 1 106 106 GLU H H 107 8.415 8.415 8.555 -0.140 18282 2379 1 4 . 1 1 107 107 GLU N N 108 121.993 121.993 120.926 1.067 18282 2380 1 4 . 1 1 107 107 GLU HA H 108 4.184 4.184 4.593 -0.409 18282 2381 1 4 . 1 1 107 107 GLU C C 108 176.404 176.404 177.544 -1.140 18282 2382 1 4 . 1 1 107 107 GLU CA C 108 56.721 56.721 55.239 1.482 18282 2383 1 4 . 1 1 107 107 GLU CB C 108 29.770 29.770 30.813 -1.043 18282 2384 1 4 . 1 1 107 107 GLU H H 108 8.334 8.334 8.496 -0.162 18282 2385 1 4 . 1 1 108 108 ILE N N 109 122.204 122.204 123.609 -1.405 18282 2386 1 4 . 1 1 108 108 ILE HA H 109 4.052 4.052 3.768 0.284 18282 2387 1 4 . 1 1 108 108 ILE C C 109 176.261 176.261 176.932 -0.671 18282 2388 1 4 . 1 1 108 108 ILE CA C 109 61.245 61.245 63.602 -2.357 18282 2389 1 4 . 1 1 108 108 ILE CB C 109 38.157 38.157 37.744 0.413 18282 2390 1 4 . 1 1 108 108 ILE H H 109 8.068 8.068 9.062 -0.994 18282 2391 1 4 . 1 1 109 109 LEU N N 110 125.608 125.608 121.337 4.271 18282 2392 1 4 . 1 1 109 109 LEU HA H 110 4.295 4.295 3.949 0.346 18282 2393 1 4 . 1 1 109 109 LEU C C 110 177.275 177.275 178.947 -1.672 18282 2394 1 4 . 1 1 109 109 LEU CA C 110 55.103 55.103 57.803 -2.700 18282 2395 1 4 . 1 1 109 109 LEU CB C 110 41.929 41.929 41.344 0.585 18282 2396 1 4 . 1 1 109 109 LEU H H 110 8.187 8.187 7.631 0.556 18282 2397 1 4 . 1 1 110 110 LYS N N 111 122.154 122.154 119.183 2.971 18282 2398 1 4 . 1 1 110 110 LYS HA H 111 4.278 4.278 4.235 0.043 18282 2399 1 4 . 1 1 110 110 LYS C C 111 176.606 176.606 177.724 -1.118 18282 2400 1 4 . 1 1 110 110 LYS CA C 111 56.125 56.125 58.843 -2.718 18282 2401 1 4 . 1 1 110 110 LYS CB C 111 32.423 32.423 32.405 0.018 18282 2402 1 4 . 1 1 110 110 LYS H H 111 8.206 8.206 8.340 -0.134 18282 2403 1 4 . 1 1 111 111 SER N N 112 116.381 116.381 113.018 3.363 18282 2404 1 4 . 1 1 111 111 SER HA H 112 4.395 4.395 4.237 0.158 18282 2405 1 4 . 1 1 111 111 SER C C 112 175.168 175.168 176.333 -1.165 18282 2406 1 4 . 1 1 111 111 SER CA C 112 58.456 58.456 60.814 -2.358 18282 2407 1 4 . 1 1 111 111 SER CB C 112 63.495 63.495 63.118 0.377 18282 2408 1 4 . 1 1 111 111 SER H H 112 8.217 8.217 7.689 0.528 18282 2409 1 4 . 1 1 112 112 ASN N N 113 119.799 119.799 119.755 0.044 18282 2410 1 4 . 1 1 112 112 ASN HA H 113 4.699 4.699 4.635 0.064 18282 2411 1 4 . 1 1 112 112 ASN C C 113 175.552 175.552 175.203 0.349 18282 2412 1 4 . 1 1 112 112 ASN CA C 113 53.592 53.592 54.766 -1.174 18282 2413 1 4 . 1 1 112 112 ASN CB C 113 38.772 38.772 39.660 -0.888 18282 2414 1 4 . 1 1 112 112 ASN H H 113 7.950 7.950 7.711 0.239 18282 2415 1 4 . 1 1 113 113 SER N N 114 115.430 115.430 110.740 4.690 18282 2416 1 4 . 1 1 113 113 SER HA H 114 4.382 4.382 4.663 -0.281 18282 2417 1 4 . 1 1 113 113 SER C C 114 174.558 174.558 172.581 1.977 18282 2418 1 4 . 1 1 113 113 SER CA C 114 58.919 58.919 58.040 0.879 18282 2419 1 4 . 1 1 113 113 SER CB C 114 63.494 63.494 65.467 -1.973 18282 2420 1 4 . 1 1 113 113 SER H H 114 7.970 7.970 7.733 0.237 18282 2421 1 4 . 1 1 114 114 GLN N N 115 121.973 121.973 122.259 -0.286 18282 2422 1 4 . 1 1 114 114 GLN HA H 115 4.347 4.347 4.393 -0.046 18282 2423 1 4 . 1 1 114 114 GLN C C 115 176.246 176.246 176.579 -0.333 18282 2424 1 4 . 1 1 114 114 GLN CA C 115 56.036 56.036 56.532 -0.496 18282 2425 1 4 . 1 1 114 114 GLN CB C 115 29.196 29.196 29.089 0.107 18282 2426 1 4 . 1 1 114 114 GLN H H 115 8.382 8.382 8.760 -0.378 18282 2427 1 4 . 1 1 115 115 THR N N 116 114.701 114.701 110.943 3.758 18282 2428 1 4 . 1 1 115 115 THR HA H 116 4.238 4.238 4.065 0.173 18282 2429 1 4 . 1 1 115 115 THR C C 116 174.276 174.276 175.540 -1.264 18282 2430 1 4 . 1 1 115 115 THR CA C 116 62.221 62.221 64.265 -2.044 18282 2431 1 4 . 1 1 115 115 THR CB C 116 69.405 69.405 68.676 0.729 18282 2432 1 4 . 1 1 115 115 THR H H 116 8.070 8.070 7.957 0.113 18282 2433 1 4 . 1 1 116 116 ASP N N 117 122.566 122.566 122.076 0.490 18282 2434 1 4 . 1 1 116 116 ASP HA H 117 4.575 4.575 4.531 0.044 18282 2435 1 4 . 1 1 116 116 ASP C C 117 176.241 176.241 175.703 0.538 18282 2436 1 4 . 1 1 116 116 ASP CA C 117 54.286 54.286 55.941 -1.655 18282 2437 1 4 . 1 1 116 116 ASP CB C 117 40.609 40.609 40.968 -0.359 18282 2438 1 4 . 1 1 116 116 ASP H H 117 8.288 8.288 8.626 -0.338 18282 2439 1 4 . 1 1 117 117 LEU N N 118 122.118 122.118 120.123 1.995 18282 2440 1 4 . 1 1 117 117 LEU HA H 118 4.163 4.163 4.604 -0.441 18282 2441 1 4 . 1 1 117 117 LEU C C 118 177.637 177.637 174.384 3.253 18282 2442 1 4 . 1 1 117 117 LEU CA C 118 55.475 55.475 54.558 0.917 18282 2443 1 4 . 1 1 117 117 LEU CB C 118 41.964 41.964 44.196 -2.232 18282 2444 1 4 . 1 1 117 117 LEU H H 118 8.088 8.088 7.899 0.189 18282 2445 1 4 . 1 1 118 118 GLU N N 119 119.527 119.527 124.074 -4.547 18282 2446 1 4 . 1 1 118 118 GLU HA H 119 4.086 4.086 4.484 -0.398 18282 2447 1 4 . 1 1 118 118 GLU C C 119 176.265 176.265 175.128 1.137 18282 2448 1 4 . 1 1 118 118 GLU CA C 119 56.569 56.569 54.978 1.591 18282 2449 1 4 . 1 1 118 118 GLU CB C 119 29.486 29.486 31.933 -2.447 18282 2450 1 4 . 1 1 118 118 GLU H H 119 8.134 8.134 8.494 -0.360 18282 2451 1 4 . 1 1 119 119 HIS N N 120 118.076 118.076 124.019 -5.943 18282 2452 1 4 . 1 1 119 119 HIS HA H 120 4.485 4.485 4.673 -0.188 18282 2453 1 4 . 1 1 119 119 HIS CA C 120 55.422 55.422 55.872 -0.450 18282 2454 1 4 . 1 1 119 119 HIS CB C 120 28.628 28.628 30.532 -1.904 18282 2455 1 4 . 1 1 119 119 HIS H H 120 8.134 8.134 8.597 -0.463 18282 2456 1 4 . 1 1 120 120 HIS N N 121 119.323 119.323 123.710 -4.387 18282 2457 1 4 . 1 1 120 120 HIS HA H 121 4.242 4.242 4.657 -0.415 18282 2458 1 4 . 1 1 120 120 HIS CA C 121 56.732 56.732 54.486 2.245 18282 2459 1 4 . 1 1 120 120 HIS H H 121 8.372 8.372 8.187 0.185 18282 2460 1 4 . 1 1 121 121 HIS N N 122 126.032 126.032 119.615 6.417 18282 2461 1 4 . 1 1 121 121 HIS CA C 122 57.036 57.036 55.741 1.295 18282 2462 1 4 . 1 1 121 121 HIS CB C 122 29.923 29.923 31.547 -1.624 18282 2463 1 4 . 1 1 121 121 HIS H H 122 7.900 7.900 8.471 -0.571 18282 2464 1 4 . 1 1 122 122 HIS N N 123 121.012 121.012 121.025 -0.013 18282 2465 1 4 . 1 1 122 122 HIS HA H 123 4.595 4.595 4.829 -0.234 18282 2466 1 4 . 1 1 122 122 HIS CA C 123 55.372 55.372 55.404 -0.031 18282 2467 1 4 . 1 1 122 122 HIS CB C 123 29.165 29.165 31.521 -2.356 18282 2468 1 4 . 1 1 122 122 HIS H H 123 8.595 8.595 8.635 -0.040 18282 2469 1 4 . 1 1 123 123 HIS N N 124 120.343 120.343 121.055 -0.712 18282 2470 1 4 . 1 1 123 123 HIS CA C 124 57.380 57.380 55.592 1.788 18282 2471 1 4 . 1 1 123 123 HIS CB C 124 35.491 35.491 29.883 5.608 18282 2472 1 4 . 1 1 123 123 HIS H H 124 8.558 8.558 8.596 -0.038 18282 2473 1 5 . 1 1 2 2 GLN N N 3 122.228 122.228 120.232 1.996 18282 2474 1 5 . 1 1 2 2 GLN HA H 3 3.896 3.896 4.044 -0.148 18282 2475 1 5 . 1 1 2 2 GLN C C 3 178.672 178.672 177.998 0.674 18282 2476 1 5 . 1 1 2 2 GLN CA C 3 58.794 58.794 58.006 0.788 18282 2477 1 5 . 1 1 2 2 GLN H H 3 9.310 9.310 8.411 0.899 18282 2478 1 5 . 1 1 3 3 GLU N N 4 119.529 119.529 120.740 -1.211 18282 2479 1 5 . 1 1 3 3 GLU C C 4 175.504 175.504 178.413 -2.909 18282 2480 1 5 . 1 1 3 3 GLU CA C 4 59.561 59.561 58.556 1.005 18282 2481 1 5 . 1 1 3 3 GLU CB C 4 28.876 28.876 29.099 -0.223 18282 2482 1 5 . 1 1 3 3 GLU H H 4 8.489 8.489 8.630 -0.141 18282 2483 1 5 . 1 1 4 4 LEU N N 5 114.832 114.832 121.572 -6.740 18282 2484 1 5 . 1 1 4 4 LEU HA H 5 3.716 3.716 3.907 -0.191 18282 2485 1 5 . 1 1 4 4 LEU C C 5 178.276 178.276 177.975 0.301 18282 2486 1 5 . 1 1 4 4 LEU CA C 5 57.813 57.813 57.678 0.134 18282 2487 1 5 . 1 1 4 4 LEU CB C 5 40.844 40.844 41.740 -0.896 18282 2488 1 5 . 1 1 4 4 LEU H H 5 8.210 8.210 7.985 0.225 18282 2489 1 5 . 1 1 5 5 SER N N 6 109.726 109.726 114.265 -4.539 18282 2490 1 5 . 1 1 5 5 SER HA H 6 4.127 4.127 4.048 0.079 18282 2491 1 5 . 1 1 5 5 SER C C 6 178.508 178.508 177.081 1.427 18282 2492 1 5 . 1 1 5 5 SER CA C 6 60.401 60.401 61.767 -1.366 18282 2493 1 5 . 1 1 5 5 SER CB C 6 63.535 63.535 62.515 1.020 18282 2494 1 5 . 1 1 5 5 SER H H 6 8.247 8.247 7.945 0.302 18282 2495 1 5 . 1 1 6 6 GLN N N 7 117.203 117.203 120.363 -3.160 18282 2496 1 5 . 1 1 6 6 GLN HA H 7 4.026 4.026 4.109 -0.083 18282 2497 1 5 . 1 1 6 6 GLN CA C 7 58.474 58.474 58.306 0.168 18282 2498 1 5 . 1 1 6 6 GLN H H 7 8.719 8.719 8.902 -0.183 18282 2499 1 5 . 1 1 7 7 HIS C C 8 178.622 178.622 177.515 1.107 18282 2500 1 5 . 1 1 8 8 GLU N N 9 120.357 120.357 118.136 2.221 18282 2501 1 5 . 1 1 8 8 GLU HA H 9 3.969 3.969 4.078 -0.109 18282 2502 1 5 . 1 1 8 8 GLU C C 9 178.408 178.408 179.314 -0.906 18282 2503 1 5 . 1 1 8 8 GLU CA C 9 58.244 58.244 59.562 -1.318 18282 2504 1 5 . 1 1 8 8 GLU CB C 9 29.013 29.013 29.157 -0.144 18282 2505 1 5 . 1 1 8 8 GLU H H 9 7.701 7.701 7.857 -0.156 18282 2506 1 5 . 1 1 9 9 ARG N N 10 118.791 118.791 118.949 -0.158 18282 2507 1 5 . 1 1 9 9 ARG HA H 10 4.124 4.124 4.041 0.083 18282 2508 1 5 . 1 1 9 9 ARG C C 10 178.599 178.599 178.624 -0.025 18282 2509 1 5 . 1 1 9 9 ARG CA C 10 58.633 58.633 59.120 -0.487 18282 2510 1 5 . 1 1 9 9 ARG CB C 10 29.005 29.005 30.157 -1.152 18282 2511 1 5 . 1 1 9 9 ARG H H 10 8.910 8.910 7.583 1.327 18282 2512 1 5 . 1 1 10 10 TYR N N 11 121.239 121.239 121.979 -0.740 18282 2513 1 5 . 1 1 10 10 TYR HA H 11 4.186 4.186 4.044 0.142 18282 2514 1 5 . 1 1 10 10 TYR C C 11 176.644 176.644 177.787 -1.143 18282 2515 1 5 . 1 1 10 10 TYR CA C 11 61.311 61.311 61.663 -0.353 18282 2516 1 5 . 1 1 10 10 TYR CB C 11 37.956 37.956 38.196 -0.240 18282 2517 1 5 . 1 1 10 10 TYR H H 11 7.562 7.562 8.416 -0.854 18282 2518 1 5 . 1 1 11 11 VAL N N 12 119.249 119.249 118.446 0.803 18282 2519 1 5 . 1 1 11 11 VAL HA H 12 3.119 3.119 3.462 -0.343 18282 2520 1 5 . 1 1 11 11 VAL C C 12 177.275 177.275 178.351 -1.076 18282 2521 1 5 . 1 1 11 11 VAL CA C 12 66.925 66.925 66.860 0.065 18282 2522 1 5 . 1 1 11 11 VAL CB C 12 30.981 30.981 31.307 -0.326 18282 2523 1 5 . 1 1 11 11 VAL H H 12 8.087 8.087 7.600 0.487 18282 2524 1 5 . 1 1 12 12 GLU N N 13 119.569 119.569 118.273 1.296 18282 2525 1 5 . 1 1 12 12 GLU HA H 13 4.213 4.213 3.932 0.281 18282 2526 1 5 . 1 1 12 12 GLU C C 13 175.207 175.207 178.919 -3.712 18282 2527 1 5 . 1 1 12 12 GLU CA C 13 55.971 55.971 59.033 -3.062 18282 2528 1 5 . 1 1 12 12 GLU CB C 13 28.439 28.439 29.441 -1.002 18282 2529 1 5 . 1 1 12 12 GLU H H 13 8.312 8.312 7.523 0.789 18282 2530 1 5 . 1 1 13 13 GLN N N 14 119.375 119.375 120.061 -0.686 18282 2531 1 5 . 1 1 13 13 GLN HA H 14 3.657 3.657 4.001 -0.344 18282 2532 1 5 . 1 1 13 13 GLN CA C 14 54.294 54.294 58.305 -4.011 18282 2533 1 5 . 1 1 13 13 GLN CB C 14 29.681 29.681 28.351 1.330 18282 2534 1 5 . 1 1 13 13 GLN H H 14 7.690 7.690 8.681 -0.991 18282 2535 1 5 . 1 1 14 14 LEU HA H 15 3.865 3.865 3.714 0.151 18282 2536 1 5 . 1 1 14 14 LEU CA C 15 58.177 58.177 57.244 0.933 18282 2537 1 5 . 1 1 14 14 LEU CB C 15 40.693 40.693 40.762 -0.069 18282 2538 1 5 . 1 1 15 15 LYS HA H 16 3.737 3.737 3.822 -0.085 18282 2539 1 5 . 1 1 15 15 LYS C C 16 177.817 177.817 179.227 -1.410 18282 2540 1 5 . 1 1 15 15 LYS CA C 16 60.352 60.352 59.373 0.979 18282 2541 1 5 . 1 1 15 15 LYS CB C 16 32.106 32.106 31.899 0.207 18282 2542 1 5 . 1 1 16 16 GLN N N 17 117.498 117.498 119.185 -1.687 18282 2543 1 5 . 1 1 16 16 GLN HA H 17 3.864 3.864 3.942 -0.078 18282 2544 1 5 . 1 1 16 16 GLN CA C 17 58.307 58.307 58.633 -0.326 18282 2545 1 5 . 1 1 16 16 GLN CB C 17 27.788 27.788 28.554 -0.766 18282 2546 1 5 . 1 1 16 16 GLN H H 17 7.862 7.862 7.477 0.385 18282 2547 1 5 . 1 1 17 17 ALA HA H 18 3.793 3.793 3.992 -0.199 18282 2548 1 5 . 1 1 17 17 ALA C C 18 179.147 179.147 179.495 -0.348 18282 2549 1 5 . 1 1 17 17 ALA CA C 18 54.792 54.792 54.589 0.203 18282 2550 1 5 . 1 1 17 17 ALA CB C 18 17.693 17.693 18.108 -0.415 18282 2551 1 5 . 1 1 18 18 LEU N N 19 117.278 117.278 117.865 -0.587 18282 2552 1 5 . 1 1 18 18 LEU HA H 19 3.784 3.784 3.842 -0.058 18282 2553 1 5 . 1 1 18 18 LEU C C 19 174.935 174.935 178.998 -4.063 18282 2554 1 5 . 1 1 18 18 LEU CA C 19 57.731 57.731 56.789 0.942 18282 2555 1 5 . 1 1 18 18 LEU CB C 19 40.703 40.703 41.743 -1.040 18282 2556 1 5 . 1 1 18 18 LEU H H 19 8.168 8.168 7.404 0.764 18282 2557 1 5 . 1 1 19 19 LYS N N 20 118.025 118.025 119.774 -1.749 18282 2558 1 5 . 1 1 19 19 LYS C C 20 177.982 177.982 179.295 -1.313 18282 2559 1 5 . 1 1 19 19 LYS CA C 20 60.439 60.439 59.528 0.911 18282 2560 1 5 . 1 1 19 19 LYS H H 20 8.345 8.345 7.634 0.711 18282 2561 1 5 . 1 1 20 20 THR N N 21 116.345 116.345 111.911 4.434 18282 2562 1 5 . 1 1 20 20 THR HA H 21 4.126 4.126 4.044 0.082 18282 2563 1 5 . 1 1 20 20 THR C C 21 175.469 175.469 176.000 -0.531 18282 2564 1 5 . 1 1 20 20 THR CA C 21 64.643 64.643 64.536 0.107 18282 2565 1 5 . 1 1 20 20 THR CB C 21 68.652 68.652 68.762 -0.110 18282 2566 1 5 . 1 1 20 20 THR H H 21 7.896 7.896 7.542 0.354 18282 2567 1 5 . 1 1 21 21 ARG N N 22 118.792 118.792 119.501 -0.709 18282 2568 1 5 . 1 1 21 21 ARG HA H 22 4.375 4.375 4.172 0.203 18282 2569 1 5 . 1 1 21 21 ARG C C 22 176.364 176.364 176.702 -0.338 18282 2570 1 5 . 1 1 21 21 ARG CA C 22 54.157 54.157 55.231 -1.074 18282 2571 1 5 . 1 1 21 21 ARG CB C 22 29.453 29.453 29.147 0.306 18282 2572 1 5 . 1 1 21 21 ARG H H 22 7.317 7.317 7.949 -0.632 18282 2573 1 5 . 1 1 22 22 GLY N N 23 108.428 108.428 106.271 2.157 18282 2574 1 5 . 1 1 22 22 GLY C C 23 174.154 174.154 173.934 0.220 18282 2575 1 5 . 1 1 22 22 GLY CA C 23 45.953 45.953 45.223 0.730 18282 2576 1 5 . 1 1 22 22 GLY H H 23 7.881 7.881 7.745 0.136 18282 2577 1 5 . 1 1 23 23 VAL N N 24 117.319 117.319 119.560 -2.241 18282 2578 1 5 . 1 1 23 23 VAL HA H 24 4.036 4.036 4.335 -0.299 18282 2579 1 5 . 1 1 23 23 VAL C C 24 175.601 175.601 175.475 0.126 18282 2580 1 5 . 1 1 23 23 VAL CA C 24 61.635 61.635 60.416 1.219 18282 2581 1 5 . 1 1 23 23 VAL CB C 24 32.589 32.589 34.063 -1.474 18282 2582 1 5 . 1 1 23 23 VAL H H 24 7.431 7.431 7.400 0.031 18282 2583 1 5 . 1 1 24 24 LYS N N 25 127.424 127.424 123.406 4.018 18282 2584 1 5 . 1 1 24 24 LYS HA H 25 4.336 4.336 4.626 -0.290 18282 2585 1 5 . 1 1 24 24 LYS C C 25 175.550 175.550 174.942 0.608 18282 2586 1 5 . 1 1 24 24 LYS CA C 25 55.811 55.811 55.727 0.084 18282 2587 1 5 . 1 1 24 24 LYS CB C 25 32.269 32.269 33.283 -1.014 18282 2588 1 5 . 1 1 24 24 LYS H H 25 8.665 8.665 8.441 0.224 18282 2589 1 5 . 1 1 25 25 VAL N N 26 120.764 120.764 125.968 -5.204 18282 2590 1 5 . 1 1 25 25 VAL HA H 26 4.140 4.140 4.180 -0.040 18282 2591 1 5 . 1 1 25 25 VAL C C 26 174.206 174.206 174.784 -0.578 18282 2592 1 5 . 1 1 25 25 VAL CA C 26 60.316 60.316 60.823 -0.507 18282 2593 1 5 . 1 1 25 25 VAL CB C 26 33.920 33.920 32.101 1.819 18282 2594 1 5 . 1 1 25 25 VAL H H 26 7.545 7.545 8.405 -0.860 18282 2595 1 5 . 1 1 26 26 LYS N N 27 125.707 125.707 124.911 0.796 18282 2596 1 5 . 1 1 26 26 LYS HA H 27 4.115 4.115 4.317 -0.202 18282 2597 1 5 . 1 1 26 26 LYS CA C 27 55.211 55.211 55.780 -0.569 18282 2598 1 5 . 1 1 26 26 LYS CB C 27 31.930 31.930 33.012 -1.082 18282 2599 1 5 . 1 1 26 26 LYS H H 27 8.608 8.608 8.023 0.585 18282 2600 1 5 . 1 1 27 27 TYR CA C 28 56.418 56.418 62.106 -5.688 18282 2601 1 5 . 1 1 27 27 TYR CB C 28 37.036 37.036 36.954 0.082 18282 2602 1 5 . 1 1 28 28 ALA N N 29 120.712 120.712 120.817 -0.105 18282 2603 1 5 . 1 1 28 28 ALA HA H 29 3.712 3.712 4.030 -0.318 18282 2604 1 5 . 1 1 28 28 ALA C C 29 180.210 180.210 179.622 0.588 18282 2605 1 5 . 1 1 28 28 ALA CA C 29 54.911 54.911 54.576 0.335 18282 2606 1 5 . 1 1 28 28 ALA CB C 29 18.034 18.034 17.504 0.530 18282 2607 1 5 . 1 1 28 28 ALA H H 29 8.326 8.326 8.304 0.022 18282 2608 1 5 . 1 1 29 29 ASP N N 30 117.166 117.166 119.084 -1.918 18282 2609 1 5 . 1 1 29 29 ASP HA H 30 4.379 4.379 4.424 -0.045 18282 2610 1 5 . 1 1 29 29 ASP C C 30 178.427 178.427 178.348 0.079 18282 2611 1 5 . 1 1 29 29 ASP CA C 30 56.459 56.459 57.053 -0.594 18282 2612 1 5 . 1 1 29 29 ASP CB C 30 39.962 39.962 40.805 -0.843 18282 2613 1 5 . 1 1 29 29 ASP H H 30 6.913 6.913 8.498 -1.585 18282 2614 1 5 . 1 1 30 30 LEU N N 31 123.105 123.105 120.186 2.919 18282 2615 1 5 . 1 1 30 30 LEU HA H 31 3.491 3.491 4.237 -0.746 18282 2616 1 5 . 1 1 30 30 LEU CA C 31 56.841 56.841 58.253 -1.412 18282 2617 1 5 . 1 1 30 30 LEU CB C 31 40.888 40.888 42.125 -1.237 18282 2618 1 5 . 1 1 30 30 LEU H H 31 7.543 7.543 7.711 -0.168 18282 2619 1 5 . 1 1 31 31 LEU HA H 32 3.611 3.611 3.965 -0.354 18282 2620 1 5 . 1 1 31 31 LEU C C 32 179.120 179.120 179.368 -0.248 18282 2621 1 5 . 1 1 31 31 LEU CA C 32 58.103 58.103 58.109 -0.006 18282 2622 1 5 . 1 1 31 31 LEU CB C 32 40.594 40.594 41.142 -0.548 18282 2623 1 5 . 1 1 32 32 LYS N N 33 118.074 118.074 118.754 -0.680 18282 2624 1 5 . 1 1 32 32 LYS HA H 33 4.202 4.202 4.139 0.063 18282 2625 1 5 . 1 1 32 32 LYS C C 33 180.044 180.044 178.659 1.385 18282 2626 1 5 . 1 1 32 32 LYS CA C 33 59.081 59.081 59.035 0.046 18282 2627 1 5 . 1 1 32 32 LYS CB C 33 31.735 31.735 32.614 -0.879 18282 2628 1 5 . 1 1 32 32 LYS H H 33 7.189 7.189 7.666 -0.477 18282 2629 1 5 . 1 1 33 33 PHE N N 34 122.977 122.977 120.750 2.227 18282 2630 1 5 . 1 1 33 33 PHE CA C 34 60.402 60.402 61.984 -1.582 18282 2631 1 5 . 1 1 33 33 PHE H H 34 7.768 7.768 8.877 -1.109 18282 2632 1 5 . 1 1 34 34 PHE HA H 35 3.800 3.800 4.142 -0.342 18282 2633 1 5 . 1 1 34 34 PHE C C 35 176.355 176.355 177.236 -0.881 18282 2634 1 5 . 1 1 34 34 PHE CA C 35 61.813 61.813 62.106 -0.293 18282 2635 1 5 . 1 1 34 34 PHE CB C 35 37.164 37.164 39.008 -1.844 18282 2636 1 5 . 1 1 35 35 ASP N N 36 119.969 119.969 120.087 -0.118 18282 2637 1 5 . 1 1 35 35 ASP C C 36 177.087 177.087 179.210 -2.123 18282 2638 1 5 . 1 1 35 35 ASP CA C 36 58.278 58.278 57.632 0.646 18282 2639 1 5 . 1 1 35 35 ASP CB C 36 39.578 39.578 40.397 -0.819 18282 2640 1 5 . 1 1 35 35 ASP H H 36 8.338 8.338 8.004 0.334 18282 2641 1 5 . 1 1 36 36 PHE N N 37 122.901 122.901 119.160 3.741 18282 2642 1 5 . 1 1 36 36 PHE C C 37 178.788 178.788 177.570 1.218 18282 2643 1 5 . 1 1 36 36 PHE CA C 37 61.416 61.416 60.956 0.460 18282 2644 1 5 . 1 1 36 36 PHE CB C 37 38.369 38.369 38.782 -0.413 18282 2645 1 5 . 1 1 36 36 PHE H H 37 7.860 7.860 8.464 -0.604 18282 2646 1 5 . 1 1 37 37 VAL N N 38 122.329 122.329 114.503 7.826 18282 2647 1 5 . 1 1 37 37 VAL HA H 38 3.100 3.100 3.669 -0.569 18282 2648 1 5 . 1 1 37 37 VAL C C 38 176.147 176.147 177.548 -1.401 18282 2649 1 5 . 1 1 37 37 VAL CA C 38 67.153 67.153 65.427 1.726 18282 2650 1 5 . 1 1 37 37 VAL CB C 38 30.625 30.625 31.742 -1.117 18282 2651 1 5 . 1 1 37 37 VAL H H 38 8.451 8.451 7.900 0.551 18282 2652 1 5 . 1 1 38 38 LYS N N 39 118.837 118.837 119.959 -1.122 18282 2653 1 5 . 1 1 38 38 LYS HA H 39 3.473 3.473 3.917 -0.444 18282 2654 1 5 . 1 1 38 38 LYS C C 39 176.361 176.361 177.964 -1.603 18282 2655 1 5 . 1 1 38 38 LYS CA C 39 59.519 59.519 59.266 0.253 18282 2656 1 5 . 1 1 38 38 LYS CB C 39 31.628 31.628 32.216 -0.588 18282 2657 1 5 . 1 1 38 38 LYS H H 39 7.581 7.581 8.268 -0.687 18282 2658 1 5 . 1 1 39 39 ASP N N 40 116.210 116.210 117.951 -1.741 18282 2659 1 5 . 1 1 39 39 ASP HA H 40 4.261 4.261 4.460 -0.199 18282 2660 1 5 . 1 1 39 39 ASP CA C 40 56.580 56.580 56.827 -0.247 18282 2661 1 5 . 1 1 39 39 ASP CB C 40 40.977 40.977 41.041 -0.064 18282 2662 1 5 . 1 1 39 39 ASP H H 40 8.052 8.052 7.986 0.066 18282 2663 1 5 . 1 1 40 40 THR N N 41 109.215 109.215 108.989 0.226 18282 2664 1 5 . 1 1 40 40 THR C C 41 174.559 174.559 174.680 -0.121 18282 2665 1 5 . 1 1 40 40 THR H H 41 7.232 7.232 7.942 -0.710 18282 2666 1 5 . 1 1 41 41 CYS N N 42 117.927 117.927 121.017 -3.090 18282 2667 1 5 . 1 1 41 41 CYS CA C 42 55.865 55.865 58.825 -2.960 18282 2668 1 5 . 1 1 41 41 CYS CB C 42 28.500 28.500 25.813 2.687 18282 2669 1 5 . 1 1 41 41 CYS H H 42 7.197 7.197 8.591 -1.394 18282 2670 1 5 . 1 1 42 42 PRO HA H 43 3.987 3.987 4.394 -0.407 18282 2671 1 5 . 1 1 42 42 PRO C C 43 176.688 176.688 177.496 -0.808 18282 2672 1 5 . 1 1 42 42 PRO CA C 43 65.206 65.206 64.591 0.615 18282 2673 1 5 . 1 1 42 42 PRO CB C 43 30.767 30.767 31.925 -1.158 18282 2674 1 5 . 1 1 43 43 TRP N N 44 113.805 113.805 117.356 -3.551 18282 2675 1 5 . 1 1 43 43 TRP HA H 44 4.361 4.361 4.740 -0.379 18282 2676 1 5 . 1 1 43 43 TRP C C 44 176.982 176.982 176.107 0.875 18282 2677 1 5 . 1 1 43 43 TRP CA C 44 61.758 61.758 57.982 3.776 18282 2678 1 5 . 1 1 43 43 TRP CB C 44 27.771 27.771 28.998 -1.227 18282 2679 1 5 . 1 1 43 43 TRP H H 44 6.632 6.632 7.854 -1.222 18282 2680 1 5 . 1 1 44 44 PHE N N 45 123.019 123.019 118.506 4.513 18282 2681 1 5 . 1 1 44 44 PHE HA H 45 4.043 4.043 4.154 -0.111 18282 2682 1 5 . 1 1 44 44 PHE CA C 45 62.990 62.990 57.793 5.197 18282 2683 1 5 . 1 1 44 44 PHE CB C 45 35.109 35.109 37.466 -2.357 18282 2684 1 5 . 1 1 44 44 PHE H H 45 7.302 7.302 7.669 -0.367 18282 2685 1 5 . 1 1 45 45 PRO HA H 46 4.015 4.015 4.085 -0.070 18282 2686 1 5 . 1 1 45 45 PRO C C 46 176.462 176.462 176.522 -0.060 18282 2687 1 5 . 1 1 45 45 PRO CA C 46 64.582 64.582 63.708 0.874 18282 2688 1 5 . 1 1 45 45 PRO CB C 46 30.254 30.254 31.128 -0.874 18282 2689 1 5 . 1 1 46 46 GLN N N 47 114.404 114.404 117.179 -2.775 18282 2690 1 5 . 1 1 46 46 GLN HA H 47 3.941 3.941 3.730 0.211 18282 2691 1 5 . 1 1 46 46 GLN C C 47 177.234 177.234 177.157 0.077 18282 2692 1 5 . 1 1 46 46 GLN CA C 47 58.328 58.328 58.319 0.009 18282 2693 1 5 . 1 1 46 46 GLN CB C 47 28.471 28.471 27.279 1.192 18282 2694 1 5 . 1 1 46 46 GLN H H 47 6.544 6.544 7.800 -1.256 18282 2695 1 5 . 1 1 47 47 GLU N N 48 117.356 117.356 117.371 -0.015 18282 2696 1 5 . 1 1 47 47 GLU HA H 48 4.085 4.085 4.159 -0.074 18282 2697 1 5 . 1 1 47 47 GLU C C 48 179.130 179.130 176.453 2.677 18282 2698 1 5 . 1 1 47 47 GLU CA C 48 58.215 58.215 55.908 2.307 18282 2699 1 5 . 1 1 47 47 GLU CB C 48 29.247 29.247 30.772 -1.525 18282 2700 1 5 . 1 1 47 47 GLU H H 48 7.710 7.710 6.941 0.769 18282 2701 1 5 . 1 1 48 48 GLY N N 49 105.456 105.456 107.717 -2.261 18282 2702 1 5 . 1 1 48 48 GLY C C 49 171.006 171.006 173.719 -2.713 18282 2703 1 5 . 1 1 48 48 GLY CA C 49 47.085 47.085 45.394 1.691 18282 2704 1 5 . 1 1 48 48 GLY H H 49 7.296 7.296 7.385 -0.089 18282 2705 1 5 . 1 1 49 49 THR N N 50 114.015 114.015 114.593 -0.578 18282 2706 1 5 . 1 1 49 49 THR HA H 50 4.248 4.248 4.597 -0.349 18282 2707 1 5 . 1 1 49 49 THR CA C 50 61.830 61.830 59.870 1.960 18282 2708 1 5 . 1 1 49 49 THR CB C 50 70.692 70.692 71.582 -0.890 18282 2709 1 5 . 1 1 49 49 THR H H 50 7.599 7.599 7.625 -0.026 18282 2710 1 5 . 1 1 50 50 ILE HA H 51 4.135 4.135 4.538 -0.403 18282 2711 1 5 . 1 1 50 50 ILE C C 51 172.608 172.608 174.960 -2.352 18282 2712 1 5 . 1 1 50 50 ILE CA C 51 59.075 59.075 60.927 -1.852 18282 2713 1 5 . 1 1 50 50 ILE CB C 51 35.416 35.416 39.158 -3.742 18282 2714 1 5 . 1 1 51 51 ASP N N 52 121.859 121.859 126.127 -4.268 18282 2715 1 5 . 1 1 51 51 ASP HA H 52 4.625 4.625 4.873 -0.248 18282 2716 1 5 . 1 1 51 51 ASP C C 52 175.770 175.770 175.536 0.234 18282 2717 1 5 . 1 1 51 51 ASP CA C 52 51.634 51.634 53.313 -1.679 18282 2718 1 5 . 1 1 51 51 ASP CB C 52 42.528 42.528 42.022 0.506 18282 2719 1 5 . 1 1 51 51 ASP H H 52 7.176 7.176 8.962 -1.786 18282 2720 1 5 . 1 1 52 52 ILE N N 53 119.549 119.549 122.284 -2.735 18282 2721 1 5 . 1 1 52 52 ILE HA H 53 4.150 4.150 4.350 -0.200 18282 2722 1 5 . 1 1 52 52 ILE C C 53 176.961 176.961 177.124 -0.163 18282 2723 1 5 . 1 1 52 52 ILE CA C 53 61.899 61.899 62.509 -0.610 18282 2724 1 5 . 1 1 52 52 ILE CB C 53 37.700 37.700 39.157 -1.458 18282 2725 1 5 . 1 1 52 52 ILE H H 53 8.777 8.777 8.677 0.100 18282 2726 1 5 . 1 1 53 53 LYS N N 54 123.515 123.515 120.877 2.638 18282 2727 1 5 . 1 1 53 53 LYS HA H 54 4.116 4.116 4.218 -0.102 18282 2728 1 5 . 1 1 53 53 LYS C C 54 180.448 180.448 178.771 1.677 18282 2729 1 5 . 1 1 53 53 LYS CA C 54 59.934 59.934 59.638 0.296 18282 2730 1 5 . 1 1 53 53 LYS CB C 54 31.875 31.875 32.026 -0.151 18282 2731 1 5 . 1 1 53 53 LYS H H 54 8.106 8.106 8.408 -0.302 18282 2732 1 5 . 1 1 54 54 ARG N N 55 120.371 120.371 120.276 0.095 18282 2733 1 5 . 1 1 54 54 ARG HA H 55 4.422 4.422 4.034 0.388 18282 2734 1 5 . 1 1 54 54 ARG C C 55 179.159 179.159 178.146 1.013 18282 2735 1 5 . 1 1 54 54 ARG CA C 55 59.726 59.726 59.034 0.692 18282 2736 1 5 . 1 1 54 54 ARG CB C 55 37.368 37.368 29.778 7.590 18282 2737 1 5 . 1 1 54 54 ARG H H 55 9.183 9.183 8.588 0.595 18282 2738 1 5 . 1 1 55 55 TRP N N 56 120.755 120.755 120.038 0.717 18282 2739 1 5 . 1 1 55 55 TRP HA H 56 4.747 4.747 3.939 0.808 18282 2740 1 5 . 1 1 55 55 TRP C C 56 179.954 179.954 177.105 2.849 18282 2741 1 5 . 1 1 55 55 TRP CA C 56 60.105 60.105 59.604 0.501 18282 2742 1 5 . 1 1 55 55 TRP CB C 56 29.997 29.997 28.886 1.111 18282 2743 1 5 . 1 1 55 55 TRP H H 56 8.927 8.927 8.287 0.640 18282 2744 1 5 . 1 1 56 56 ARG N N 57 122.194 122.194 119.595 2.599 18282 2745 1 5 . 1 1 56 56 ARG HA H 57 4.406 4.406 3.479 0.927 18282 2746 1 5 . 1 1 56 56 ARG C C 57 178.101 178.101 178.210 -0.109 18282 2747 1 5 . 1 1 56 56 ARG CA C 57 60.198 60.198 59.192 1.006 18282 2748 1 5 . 1 1 56 56 ARG CB C 57 29.585 29.585 29.903 -0.318 18282 2749 1 5 . 1 1 56 56 ARG H H 57 9.220 9.220 7.560 1.660 18282 2750 1 5 . 1 1 57 57 ARG N N 58 120.674 120.674 118.998 1.676 18282 2751 1 5 . 1 1 57 57 ARG HA H 58 4.186 4.186 3.914 0.272 18282 2752 1 5 . 1 1 57 57 ARG C C 58 179.445 179.445 178.533 0.912 18282 2753 1 5 . 1 1 57 57 ARG CA C 58 59.832 59.832 59.483 0.349 18282 2754 1 5 . 1 1 57 57 ARG CB C 58 29.753 29.753 29.901 -0.148 18282 2755 1 5 . 1 1 57 57 ARG H H 58 7.605 7.605 7.471 0.134 18282 2756 1 5 . 1 1 58 58 VAL N N 59 121.833 121.833 118.721 3.112 18282 2757 1 5 . 1 1 58 58 VAL HA H 59 3.675 3.675 3.783 -0.108 18282 2758 1 5 . 1 1 58 58 VAL C C 59 176.565 176.565 177.334 -0.769 18282 2759 1 5 . 1 1 58 58 VAL CA C 59 65.920 65.920 65.490 0.430 18282 2760 1 5 . 1 1 58 58 VAL CB C 59 30.785 30.785 31.157 -0.372 18282 2761 1 5 . 1 1 58 58 VAL H H 59 7.819 7.819 7.347 0.472 18282 2762 1 5 . 1 1 59 59 GLY N N 60 106.521 106.521 107.870 -1.349 18282 2763 1 5 . 1 1 59 59 GLY C C 60 175.923 175.923 175.780 0.143 18282 2764 1 5 . 1 1 59 59 GLY CA C 60 45.982 45.982 47.026 -1.044 18282 2765 1 5 . 1 1 59 59 GLY H H 60 7.540 7.540 7.427 0.113 18282 2766 1 5 . 1 1 60 60 ASP N N 61 123.066 123.066 123.301 -0.235 18282 2767 1 5 . 1 1 60 60 ASP HA H 61 4.261 4.261 4.516 -0.255 18282 2768 1 5 . 1 1 60 60 ASP C C 61 178.537 178.537 178.525 0.012 18282 2769 1 5 . 1 1 60 60 ASP CA C 61 56.907 56.907 56.848 0.059 18282 2770 1 5 . 1 1 60 60 ASP CB C 61 39.654 39.654 40.294 -0.640 18282 2771 1 5 . 1 1 60 60 ASP H H 61 8.197 8.197 8.326 -0.129 18282 2772 1 5 . 1 1 61 61 CYS N N 62 121.005 121.005 118.544 2.461 18282 2773 1 5 . 1 1 61 61 CYS C C 62 177.083 177.083 177.380 -0.297 18282 2774 1 5 . 1 1 61 61 CYS CA C 62 62.380 62.380 63.142 -0.762 18282 2775 1 5 . 1 1 61 61 CYS CB C 62 26.011 26.011 26.885 -0.874 18282 2776 1 5 . 1 1 61 61 CYS H H 62 7.858 7.858 7.690 0.168 18282 2777 1 5 . 1 1 62 62 PHE N N 63 119.362 119.362 119.832 -0.470 18282 2778 1 5 . 1 1 62 62 PHE HA H 63 4.117 4.117 4.315 -0.198 18282 2779 1 5 . 1 1 62 62 PHE C C 63 178.081 178.081 178.055 0.026 18282 2780 1 5 . 1 1 62 62 PHE CA C 63 57.843 57.843 61.710 -3.867 18282 2781 1 5 . 1 1 62 62 PHE CB C 63 36.605 36.605 38.440 -1.835 18282 2782 1 5 . 1 1 62 62 PHE H H 63 8.530 8.530 8.603 -0.073 18282 2783 1 5 . 1 1 63 63 GLN N N 64 118.829 118.829 120.415 -1.586 18282 2784 1 5 . 1 1 63 63 GLN HA H 64 4.199 4.199 4.027 0.172 18282 2785 1 5 . 1 1 63 63 GLN C C 64 177.645 177.645 178.003 -0.358 18282 2786 1 5 . 1 1 63 63 GLN CA C 64 59.094 59.094 59.574 -0.480 18282 2787 1 5 . 1 1 63 63 GLN CB C 64 28.337 28.337 28.529 -0.192 18282 2788 1 5 . 1 1 63 63 GLN H H 64 8.236 8.236 8.406 -0.170 18282 2789 1 5 . 1 1 64 64 ASP N N 65 120.234 120.234 120.292 -0.058 18282 2790 1 5 . 1 1 64 64 ASP HA H 65 4.481 4.481 4.332 0.149 18282 2791 1 5 . 1 1 64 64 ASP CA C 65 57.301 57.301 56.963 0.338 18282 2792 1 5 . 1 1 64 64 ASP CB C 65 40.773 40.773 40.437 0.336 18282 2793 1 5 . 1 1 64 64 ASP H H 65 8.257 8.257 7.710 0.547 18282 2794 1 5 . 1 1 65 65 TYR HA H 66 4.598 4.598 4.091 0.507 18282 2795 1 5 . 1 1 65 65 TYR C C 66 178.524 178.524 178.374 0.150 18282 2796 1 5 . 1 1 65 65 TYR CA C 66 60.355 60.355 61.656 -1.301 18282 2797 1 5 . 1 1 65 65 TYR CB C 66 37.796 37.796 38.367 -0.571 18282 2798 1 5 . 1 1 66 66 TYR N N 67 122.741 122.741 120.200 2.541 18282 2799 1 5 . 1 1 66 66 TYR HA H 67 4.044 4.044 4.358 -0.314 18282 2800 1 5 . 1 1 66 66 TYR C C 67 178.220 178.220 177.476 0.744 18282 2801 1 5 . 1 1 66 66 TYR CA C 67 61.726 61.726 62.068 -0.342 18282 2802 1 5 . 1 1 66 66 TYR CB C 67 38.932 38.932 38.653 0.279 18282 2803 1 5 . 1 1 66 66 TYR H H 67 9.083 9.083 8.846 0.237 18282 2804 1 5 . 1 1 67 67 ASN N N 68 118.530 118.530 116.310 2.220 18282 2805 1 5 . 1 1 67 67 ASN HA H 68 4.378 4.378 4.485 -0.107 18282 2806 1 5 . 1 1 67 67 ASN C C 68 176.633 176.633 176.516 0.117 18282 2807 1 5 . 1 1 67 67 ASN CA C 68 55.293 55.293 56.143 -0.850 18282 2808 1 5 . 1 1 67 67 ASN CB C 68 37.860 37.860 37.390 0.470 18282 2809 1 5 . 1 1 67 67 ASN H H 68 8.796 8.796 8.300 0.496 18282 2810 1 5 . 1 1 68 68 THR N N 69 114.328 114.328 110.262 4.066 18282 2811 1 5 . 1 1 68 68 THR HA H 69 3.872 3.872 3.952 -0.080 18282 2812 1 5 . 1 1 68 68 THR C C 69 174.832 174.832 174.623 0.209 18282 2813 1 5 . 1 1 68 68 THR CA C 69 65.224 65.224 64.127 1.097 18282 2814 1 5 . 1 1 68 68 THR CB C 69 69.484 69.484 68.158 1.326 18282 2815 1 5 . 1 1 68 68 THR H H 69 7.960 7.960 7.367 0.593 18282 2816 1 5 . 1 1 69 69 PHE N N 70 118.107 118.107 120.451 -2.344 18282 2817 1 5 . 1 1 69 69 PHE HA H 70 4.626 4.626 4.656 -0.030 18282 2818 1 5 . 1 1 69 69 PHE C C 70 176.495 176.495 176.361 0.134 18282 2819 1 5 . 1 1 69 69 PHE CA C 70 58.409 58.409 58.964 -0.555 18282 2820 1 5 . 1 1 69 69 PHE CB C 70 40.742 40.742 40.576 0.166 18282 2821 1 5 . 1 1 69 69 PHE H H 70 8.591 8.591 7.449 1.142 18282 2822 1 5 . 1 1 70 70 GLY N N 71 109.309 109.309 105.040 4.269 18282 2823 1 5 . 1 1 70 70 GLY CA C 71 44.684 44.684 45.215 -0.532 18282 2824 1 5 . 1 1 70 70 GLY H H 71 7.893 7.893 7.867 0.026 18282 2825 1 5 . 1 1 71 71 PRO HA H 72 4.691 4.691 4.905 -0.214 18282 2826 1 5 . 1 1 71 71 PRO C C 72 177.772 177.772 176.530 1.242 18282 2827 1 5 . 1 1 71 71 PRO CA C 72 63.458 63.458 63.526 -0.068 18282 2828 1 5 . 1 1 71 71 PRO CB C 72 31.823 31.823 31.909 -0.086 18282 2829 1 5 . 1 1 72 72 GLU N N 73 117.421 117.421 119.446 -2.025 18282 2830 1 5 . 1 1 72 72 GLU HA H 73 4.061 4.061 4.228 -0.167 18282 2831 1 5 . 1 1 72 72 GLU C C 73 177.236 177.236 177.653 -0.417 18282 2832 1 5 . 1 1 72 72 GLU CA C 73 58.570 58.570 58.010 0.560 18282 2833 1 5 . 1 1 72 72 GLU CB C 73 28.853 28.853 29.302 -0.449 18282 2834 1 5 . 1 1 72 72 GLU H H 73 8.595 8.595 8.036 0.559 18282 2835 1 5 . 1 1 73 73 LYS N N 74 116.846 116.846 119.954 -3.108 18282 2836 1 5 . 1 1 73 73 LYS HA H 74 4.381 4.381 4.225 0.156 18282 2837 1 5 . 1 1 73 73 LYS C C 74 175.662 175.662 176.978 -1.316 18282 2838 1 5 . 1 1 73 73 LYS CA C 74 55.263 55.263 57.127 -1.865 18282 2839 1 5 . 1 1 73 73 LYS CB C 74 33.891 33.891 33.082 0.809 18282 2840 1 5 . 1 1 73 73 LYS H H 74 7.493 7.493 8.165 -0.672 18282 2841 1 5 . 1 1 74 74 VAL N N 75 118.056 118.056 119.821 -1.765 18282 2842 1 5 . 1 1 74 74 VAL HA H 75 4.423 4.423 3.857 0.566 18282 2843 1 5 . 1 1 74 74 VAL CA C 75 58.438 58.438 62.660 -4.222 18282 2844 1 5 . 1 1 74 74 VAL CB C 75 33.763 33.763 30.785 2.978 18282 2845 1 5 . 1 1 74 74 VAL H H 75 7.342 7.342 8.354 -1.012 18282 2846 1 5 . 1 1 75 75 PRO HA H 76 4.585 4.585 4.417 0.168 18282 2847 1 5 . 1 1 75 75 PRO C C 76 178.543 178.543 177.703 0.840 18282 2848 1 5 . 1 1 75 75 PRO CA C 76 61.911 61.911 63.042 -1.131 18282 2849 1 5 . 1 1 75 75 PRO CB C 76 32.035 32.035 32.239 -0.204 18282 2850 1 5 . 1 1 76 76 VAL N N 77 119.825 119.825 124.759 -4.934 18282 2851 1 5 . 1 1 76 76 VAL HA H 77 3.921 3.921 3.974 -0.053 18282 2852 1 5 . 1 1 76 76 VAL CA C 77 65.316 65.316 65.257 0.059 18282 2853 1 5 . 1 1 76 76 VAL CB C 77 31.316 31.316 31.587 -0.271 18282 2854 1 5 . 1 1 76 76 VAL H H 77 8.604 8.604 8.578 0.026 18282 2855 1 5 . 1 1 77 77 THR N N 78 109.390 109.390 113.107 -3.717 18282 2856 1 5 . 1 1 77 77 THR HA H 78 3.914 3.914 4.144 -0.230 18282 2857 1 5 . 1 1 77 77 THR C C 78 175.732 175.732 176.039 -0.307 18282 2858 1 5 . 1 1 77 77 THR CA C 78 62.803 62.803 65.400 -2.597 18282 2859 1 5 . 1 1 77 77 THR CB C 78 68.357 68.357 68.530 -0.173 18282 2860 1 5 . 1 1 77 77 THR H H 78 7.380 7.380 8.368 -0.988 18282 2861 1 5 . 1 1 78 78 ALA N N 79 123.661 123.661 124.205 -0.544 18282 2862 1 5 . 1 1 78 78 ALA HA H 79 4.001 4.001 4.263 -0.262 18282 2863 1 5 . 1 1 78 78 ALA C C 79 179.527 179.527 179.659 -0.132 18282 2864 1 5 . 1 1 78 78 ALA CA C 79 55.091 55.091 54.875 0.216 18282 2865 1 5 . 1 1 78 78 ALA CB C 79 17.561 17.561 18.312 -0.751 18282 2866 1 5 . 1 1 78 78 ALA H H 79 7.811 7.811 7.723 0.088 18282 2867 1 5 . 1 1 79 79 PHE N N 80 114.258 114.258 119.485 -5.227 18282 2868 1 5 . 1 1 79 79 PHE HA H 80 4.452 4.452 4.372 0.080 18282 2869 1 5 . 1 1 79 79 PHE C C 80 178.586 178.586 177.453 1.133 18282 2870 1 5 . 1 1 79 79 PHE CA C 80 61.656 61.656 60.389 1.267 18282 2871 1 5 . 1 1 79 79 PHE CB C 80 37.694 37.694 39.317 -1.623 18282 2872 1 5 . 1 1 79 79 PHE H H 80 7.306 7.306 8.929 -1.623 18282 2873 1 5 . 1 1 80 80 SER N N 81 116.865 116.865 116.113 0.752 18282 2874 1 5 . 1 1 80 80 SER CA C 81 61.824 61.824 62.212 -0.388 18282 2875 1 5 . 1 1 80 80 SER H H 81 7.733 7.733 7.822 -0.089 18282 2876 1 5 . 1 1 81 81 TYR N N 82 121.932 121.932 121.575 0.357 18282 2877 1 5 . 1 1 81 81 TYR HA H 82 4.133 4.133 4.161 -0.028 18282 2878 1 5 . 1 1 81 81 TYR C C 82 177.701 177.701 177.678 0.023 18282 2879 1 5 . 1 1 81 81 TYR CA C 82 60.027 60.027 61.867 -1.840 18282 2880 1 5 . 1 1 81 81 TYR CB C 82 34.104 34.104 38.103 -3.999 18282 2881 1 5 . 1 1 81 81 TYR H H 82 8.151 8.151 7.942 0.209 18282 2882 1 5 . 1 1 82 82 TRP N N 83 120.817 120.817 120.383 0.434 18282 2883 1 5 . 1 1 82 82 TRP HA H 83 4.436 4.436 4.230 0.206 18282 2884 1 5 . 1 1 82 82 TRP CA C 83 63.975 63.975 61.583 2.392 18282 2885 1 5 . 1 1 82 82 TRP CB C 83 28.557 28.557 29.324 -0.767 18282 2886 1 5 . 1 1 82 82 TRP H H 83 8.645 8.645 8.417 0.228 18282 2887 1 5 . 1 1 83 83 ASN HA H 84 4.230 4.230 3.901 0.329 18282 2888 1 5 . 1 1 83 83 ASN C C 84 176.140 176.140 177.559 -1.419 18282 2889 1 5 . 1 1 83 83 ASN CA C 84 56.683 56.683 55.882 0.801 18282 2890 1 5 . 1 1 83 83 ASN CB C 84 39.116 39.116 37.501 1.615 18282 2891 1 5 . 1 1 84 84 LEU N N 85 121.884 121.884 121.814 0.070 18282 2892 1 5 . 1 1 84 84 LEU HA H 85 4.054 4.054 4.063 -0.009 18282 2893 1 5 . 1 1 84 84 LEU C C 85 178.369 178.369 178.334 0.035 18282 2894 1 5 . 1 1 84 84 LEU CA C 85 58.228 58.228 57.619 0.609 18282 2895 1 5 . 1 1 84 84 LEU CB C 85 41.576 41.576 41.852 -0.276 18282 2896 1 5 . 1 1 84 84 LEU H H 85 7.751 7.751 7.474 0.277 18282 2897 1 5 . 1 1 85 85 ILE N N 86 116.825 116.825 119.204 -2.379 18282 2898 1 5 . 1 1 85 85 ILE HA H 86 3.462 3.462 3.574 -0.112 18282 2899 1 5 . 1 1 85 85 ILE C C 86 176.809 176.809 177.857 -1.048 18282 2900 1 5 . 1 1 85 85 ILE CA C 86 61.345 61.345 65.483 -4.138 18282 2901 1 5 . 1 1 85 85 ILE CB C 86 34.099 34.099 37.710 -3.611 18282 2902 1 5 . 1 1 85 85 ILE H H 86 7.952 7.952 8.619 -0.667 18282 2903 1 5 . 1 1 86 86 LYS N N 87 121.846 121.846 119.837 2.009 18282 2904 1 5 . 1 1 86 86 LYS HA H 87 3.231 3.231 3.733 -0.502 18282 2905 1 5 . 1 1 86 86 LYS C C 87 177.221 177.221 177.994 -0.773 18282 2906 1 5 . 1 1 86 86 LYS CA C 87 60.033 60.033 59.941 0.092 18282 2907 1 5 . 1 1 86 86 LYS CB C 87 31.005 31.005 31.607 -0.602 18282 2908 1 5 . 1 1 86 86 LYS H H 87 7.876 7.876 7.714 0.162 18282 2909 1 5 . 1 1 87 87 GLU N N 88 116.331 116.331 118.520 -2.189 18282 2910 1 5 . 1 1 87 87 GLU HA H 88 3.861 3.861 4.078 -0.217 18282 2911 1 5 . 1 1 87 87 GLU C C 88 178.810 178.810 178.728 0.082 18282 2912 1 5 . 1 1 87 87 GLU CA C 88 58.949 58.949 58.152 0.797 18282 2913 1 5 . 1 1 87 87 GLU CB C 88 29.221 29.221 28.433 0.788 18282 2914 1 5 . 1 1 87 87 GLU H H 88 7.679 7.679 7.488 0.191 18282 2915 1 5 . 1 1 88 88 LEU N N 89 118.090 118.090 121.357 -3.267 18282 2916 1 5 . 1 1 88 88 LEU HA H 89 3.909 3.909 4.015 -0.106 18282 2917 1 5 . 1 1 88 88 LEU CA C 89 57.688 57.688 58.173 -0.485 18282 2918 1 5 . 1 1 88 88 LEU CB C 89 41.436 41.436 41.974 -0.538 18282 2919 1 5 . 1 1 88 88 LEU H H 89 7.441 7.441 8.110 -0.669 18282 2920 1 5 . 1 1 89 89 ILE HA H 90 3.344 3.344 3.720 -0.376 18282 2921 1 5 . 1 1 89 89 ILE CA C 90 65.082 65.082 64.669 0.413 18282 2922 1 5 . 1 1 89 89 ILE CB C 90 37.556 37.556 37.686 -0.130 18282 2923 1 5 . 1 1 90 90 ASP HA H 91 3.894 3.894 4.486 -0.592 18282 2924 1 5 . 1 1 90 90 ASP CA C 91 57.678 57.678 55.243 2.435 18282 2925 1 5 . 1 1 90 90 ASP CB C 91 40.546 40.546 40.717 -0.171 18282 2926 1 5 . 1 1 91 91 LYS N N 92 119.422 119.422 120.088 -0.666 18282 2927 1 5 . 1 1 91 91 LYS CA C 92 54.600 54.600 56.371 -1.771 18282 2928 1 5 . 1 1 91 91 LYS CB C 92 32.014 32.014 33.189 -1.175 18282 2929 1 5 . 1 1 91 91 LYS H H 92 7.903 7.903 7.484 0.419 18282 2930 1 5 . 1 1 92 92 LYS HA H 93 4.541 4.541 4.327 0.214 18282 2931 1 5 . 1 1 92 92 LYS CA C 93 55.202 55.202 58.005 -2.803 18282 2932 1 5 . 1 1 92 92 LYS CB C 93 31.758 31.758 32.486 -0.728 18282 2933 1 5 . 1 1 93 93 GLU N N 94 115.922 115.922 117.195 -1.273 18282 2934 1 5 . 1 1 93 93 GLU HA H 94 4.283 4.283 4.163 0.120 18282 2935 1 5 . 1 1 93 93 GLU C C 94 175.613 175.613 176.324 -0.711 18282 2936 1 5 . 1 1 93 93 GLU CA C 94 56.296 56.296 57.051 -0.755 18282 2937 1 5 . 1 1 93 93 GLU CB C 94 29.415 29.415 29.596 -0.181 18282 2938 1 5 . 1 1 93 93 GLU H H 94 8.140 8.140 8.300 -0.160 18282 2939 1 5 . 1 1 94 94 VAL N N 95 121.304 121.304 119.584 1.720 18282 2940 1 5 . 1 1 94 94 VAL HA H 95 3.773 3.773 3.910 -0.137 18282 2941 1 5 . 1 1 94 94 VAL CA C 95 62.257 62.257 62.636 -0.380 18282 2942 1 5 . 1 1 94 94 VAL CB C 95 32.047 32.047 31.970 0.077 18282 2943 1 5 . 1 1 94 94 VAL H H 95 8.003 8.003 7.428 0.575 18282 2944 1 5 . 1 1 95 95 ASN H H 96 7.518 7.518 8.566 -1.048 18282 2945 1 5 . 1 1 96 96 PRO HA H 97 4.319 4.319 4.111 0.208 18282 2946 1 5 . 1 1 96 96 PRO C C 97 179.088 179.088 177.901 1.187 18282 2947 1 5 . 1 1 96 96 PRO CA C 97 64.963 64.963 65.067 -0.103 18282 2948 1 5 . 1 1 96 96 PRO CB C 97 32.035 32.035 31.526 0.509 18282 2949 1 5 . 1 1 97 97 GLN N N 98 117.793 117.793 117.024 0.769 18282 2950 1 5 . 1 1 97 97 GLN HA H 98 3.952 3.952 3.992 -0.040 18282 2951 1 5 . 1 1 97 97 GLN C C 98 179.272 179.272 177.413 1.859 18282 2952 1 5 . 1 1 97 97 GLN CA C 98 55.691 55.691 58.721 -3.030 18282 2953 1 5 . 1 1 97 97 GLN CB C 98 28.378 28.378 27.547 0.832 18282 2954 1 5 . 1 1 97 97 GLN H H 98 8.351 8.351 8.402 -0.051 18282 2955 1 5 . 1 1 98 98 VAL N N 99 121.247 121.247 120.291 0.956 18282 2956 1 5 . 1 1 98 98 VAL HA H 99 3.440 3.440 3.837 -0.397 18282 2957 1 5 . 1 1 98 98 VAL CA C 99 67.776 67.776 66.003 1.773 18282 2958 1 5 . 1 1 98 98 VAL CB C 99 31.574 31.574 31.347 0.227 18282 2959 1 5 . 1 1 98 98 VAL H H 99 7.901 7.901 8.039 -0.138 18282 2960 1 5 . 1 1 100 100 ALA HA H 101 4.218 4.218 4.140 0.078 18282 2961 1 5 . 1 1 100 100 ALA C C 101 179.599 179.599 179.385 0.214 18282 2962 1 5 . 1 1 100 100 ALA CA C 101 54.685 54.685 54.974 -0.289 18282 2963 1 5 . 1 1 100 100 ALA CB C 101 17.562 17.562 18.116 -0.554 18282 2964 1 5 . 1 1 101 101 ALA N N 102 119.533 119.533 121.201 -1.668 18282 2965 1 5 . 1 1 101 101 ALA HA H 102 4.005 4.005 4.465 -0.460 18282 2966 1 5 . 1 1 101 101 ALA C C 102 180.970 180.970 179.738 1.232 18282 2967 1 5 . 1 1 101 101 ALA CA C 102 55.013 55.013 54.225 0.788 18282 2968 1 5 . 1 1 101 101 ALA CB C 102 17.422 17.422 18.247 -0.825 18282 2969 1 5 . 1 1 101 101 ALA H H 102 7.559 7.559 8.179 -0.620 18282 2970 1 5 . 1 1 102 102 VAL N N 103 122.669 122.669 118.468 4.201 18282 2971 1 5 . 1 1 102 102 VAL HA H 103 4.087 4.087 3.688 0.399 18282 2972 1 5 . 1 1 102 102 VAL C C 103 175.666 175.666 176.869 -1.203 18282 2973 1 5 . 1 1 102 102 VAL CA C 103 61.850 61.850 65.259 -3.409 18282 2974 1 5 . 1 1 102 102 VAL CB C 103 32.576 32.576 31.608 0.968 18282 2975 1 5 . 1 1 102 102 VAL H H 103 8.851 8.851 7.436 1.415 18282 2976 1 5 . 1 1 103 103 ALA N N 104 128.048 128.048 120.133 7.915 18282 2977 1 5 . 1 1 103 103 ALA HA H 104 4.288 4.288 3.989 0.299 18282 2978 1 5 . 1 1 103 103 ALA C C 104 177.344 177.344 177.818 -0.474 18282 2979 1 5 . 1 1 103 103 ALA CA C 104 52.194 52.194 54.014 -1.820 18282 2980 1 5 . 1 1 103 103 ALA CB C 104 19.021 19.021 19.240 -0.219 18282 2981 1 5 . 1 1 103 103 ALA H H 104 8.374 8.374 8.002 0.372 18282 2982 1 5 . 1 1 104 104 GLN N N 105 120.285 120.285 114.878 5.407 18282 2983 1 5 . 1 1 104 104 GLN HA H 105 4.281 4.281 3.626 0.655 18282 2984 1 5 . 1 1 104 104 GLN CA C 105 55.656 55.656 57.941 -2.285 18282 2985 1 5 . 1 1 104 104 GLN CB C 105 32.581 32.581 26.697 5.884 18282 2986 1 5 . 1 1 104 104 GLN H H 105 8.374 8.374 8.122 0.252 18282 2987 1 5 . 1 1 105 105 THR HA H 106 4.293 4.293 4.470 -0.177 18282 2988 1 5 . 1 1 105 105 THR C C 106 174.384 174.384 173.810 0.574 18282 2989 1 5 . 1 1 105 105 THR CA C 106 61.663 61.663 62.248 -0.585 18282 2990 1 5 . 1 1 105 105 THR CB C 106 69.458 69.458 70.369 -0.911 18282 2991 1 5 . 1 1 106 106 GLU N N 107 122.744 122.744 119.838 2.906 18282 2992 1 5 . 1 1 106 106 GLU HA H 107 4.241 4.241 4.536 -0.295 18282 2993 1 5 . 1 1 106 106 GLU C C 107 176.331 176.331 175.155 1.176 18282 2994 1 5 . 1 1 106 106 GLU CA C 107 56.621 56.621 55.344 1.277 18282 2995 1 5 . 1 1 106 106 GLU CB C 107 30.004 30.004 31.709 -1.705 18282 2996 1 5 . 1 1 106 106 GLU H H 107 8.415 8.415 8.296 0.119 18282 2997 1 5 . 1 1 107 107 GLU N N 108 121.993 121.993 121.319 0.674 18282 2998 1 5 . 1 1 107 107 GLU HA H 108 4.184 4.184 4.645 -0.461 18282 2999 1 5 . 1 1 107 107 GLU C C 108 176.404 176.404 177.307 -0.903 18282 3000 1 5 . 1 1 107 107 GLU CA C 108 56.721 56.721 55.502 1.219 18282 3001 1 5 . 1 1 107 107 GLU CB C 108 29.770 29.770 30.110 -0.340 18282 3002 1 5 . 1 1 107 107 GLU H H 108 8.334 8.334 8.830 -0.496 18282 3003 1 5 . 1 1 108 108 ILE N N 109 122.204 122.204 122.293 -0.089 18282 3004 1 5 . 1 1 108 108 ILE HA H 109 4.052 4.052 3.731 0.321 18282 3005 1 5 . 1 1 108 108 ILE C C 109 176.261 176.261 175.636 0.625 18282 3006 1 5 . 1 1 108 108 ILE CA C 109 61.245 61.245 62.822 -1.577 18282 3007 1 5 . 1 1 108 108 ILE CB C 109 38.157 38.157 37.916 0.241 18282 3008 1 5 . 1 1 108 108 ILE H H 109 8.068 8.068 8.792 -0.724 18282 3009 1 5 . 1 1 109 109 LEU N N 110 125.608 125.608 119.391 6.217 18282 3010 1 5 . 1 1 109 109 LEU HA H 110 4.295 4.295 4.129 0.166 18282 3011 1 5 . 1 1 109 109 LEU C C 110 177.275 177.275 178.642 -1.367 18282 3012 1 5 . 1 1 109 109 LEU CA C 110 55.103 55.103 56.755 -1.652 18282 3013 1 5 . 1 1 109 109 LEU CB C 110 41.929 41.929 41.895 0.034 18282 3014 1 5 . 1 1 109 109 LEU H H 110 8.187 8.187 7.472 0.715 18282 3015 1 5 . 1 1 110 110 LYS N N 111 122.154 122.154 117.260 4.894 18282 3016 1 5 . 1 1 110 110 LYS HA H 111 4.278 4.278 4.005 0.273 18282 3017 1 5 . 1 1 110 110 LYS C C 111 176.606 176.606 177.654 -1.048 18282 3018 1 5 . 1 1 110 110 LYS CA C 111 56.125 56.125 58.541 -2.416 18282 3019 1 5 . 1 1 110 110 LYS CB C 111 32.423 32.423 32.928 -0.505 18282 3020 1 5 . 1 1 110 110 LYS H H 111 8.206 8.206 8.241 -0.035 18282 3021 1 5 . 1 1 111 111 SER N N 112 116.381 116.381 115.168 1.213 18282 3022 1 5 . 1 1 111 111 SER HA H 112 4.395 4.395 4.105 0.290 18282 3023 1 5 . 1 1 111 111 SER C C 112 175.168 175.168 174.933 0.235 18282 3024 1 5 . 1 1 111 111 SER CA C 112 58.456 58.456 59.962 -1.506 18282 3025 1 5 . 1 1 111 111 SER CB C 112 63.495 63.495 62.149 1.346 18282 3026 1 5 . 1 1 111 111 SER H H 112 8.217 8.217 7.806 0.411 18282 3027 1 5 . 1 1 112 112 ASN N N 113 119.799 119.799 120.382 -0.583 18282 3028 1 5 . 1 1 112 112 ASN HA H 113 4.699 4.699 4.683 0.016 18282 3029 1 5 . 1 1 112 112 ASN C C 113 175.552 175.552 175.928 -0.376 18282 3030 1 5 . 1 1 112 112 ASN CA C 113 53.592 53.592 55.028 -1.436 18282 3031 1 5 . 1 1 112 112 ASN CB C 113 38.772 38.772 38.689 0.083 18282 3032 1 5 . 1 1 112 112 ASN H H 113 7.950 7.950 8.635 -0.685 18282 3033 1 5 . 1 1 113 113 SER N N 114 115.430 115.430 116.223 -0.793 18282 3034 1 5 . 1 1 113 113 SER HA H 114 4.382 4.382 4.626 -0.244 18282 3035 1 5 . 1 1 113 113 SER C C 114 174.558 174.558 174.119 0.439 18282 3036 1 5 . 1 1 113 113 SER CA C 114 58.919 58.919 57.915 1.004 18282 3037 1 5 . 1 1 113 113 SER CB C 114 63.494 63.494 63.944 -0.450 18282 3038 1 5 . 1 1 113 113 SER H H 114 7.970 7.970 7.721 0.249 18282 3039 1 5 . 1 1 114 114 GLN N N 115 121.973 121.973 126.240 -4.267 18282 3040 1 5 . 1 1 114 114 GLN HA H 115 4.347 4.347 4.431 -0.083 18282 3041 1 5 . 1 1 114 114 GLN C C 115 176.246 176.246 176.788 -0.542 18282 3042 1 5 . 1 1 114 114 GLN CA C 115 56.036 56.036 56.140 -0.104 18282 3043 1 5 . 1 1 114 114 GLN CB C 115 29.196 29.196 28.102 1.094 18282 3044 1 5 . 1 1 114 114 GLN H H 115 8.382 8.382 8.897 -0.515 18282 3045 1 5 . 1 1 115 115 THR N N 116 114.701 114.701 111.899 2.802 18282 3046 1 5 . 1 1 115 115 THR HA H 116 4.238 4.238 4.317 -0.079 18282 3047 1 5 . 1 1 115 115 THR C C 116 174.276 174.276 175.099 -0.823 18282 3048 1 5 . 1 1 115 115 THR CA C 116 62.221 62.221 64.373 -2.151 18282 3049 1 5 . 1 1 115 115 THR CB C 116 69.405 69.405 68.308 1.097 18282 3050 1 5 . 1 1 115 115 THR H H 116 8.070 8.070 8.122 -0.052 18282 3051 1 5 . 1 1 116 116 ASP N N 117 122.566 122.566 120.860 1.706 18282 3052 1 5 . 1 1 116 116 ASP HA H 117 4.575 4.575 4.565 0.010 18282 3053 1 5 . 1 1 116 116 ASP C C 117 176.241 176.241 177.200 -0.959 18282 3054 1 5 . 1 1 116 116 ASP CA C 117 54.286 54.286 55.886 -1.601 18282 3055 1 5 . 1 1 116 116 ASP CB C 117 40.609 40.609 40.264 0.345 18282 3056 1 5 . 1 1 116 116 ASP H H 117 8.288 8.288 8.165 0.123 18282 3057 1 5 . 1 1 117 117 LEU N N 118 122.118 122.118 120.001 2.117 18282 3058 1 5 . 1 1 117 117 LEU HA H 118 4.163 4.163 4.186 -0.023 18282 3059 1 5 . 1 1 117 117 LEU C C 118 177.637 177.637 176.870 0.767 18282 3060 1 5 . 1 1 117 117 LEU CA C 118 55.475 55.475 56.191 -0.716 18282 3061 1 5 . 1 1 117 117 LEU CB C 118 41.964 41.964 42.983 -1.019 18282 3062 1 5 . 1 1 117 117 LEU H H 118 8.088 8.088 7.833 0.255 18282 3063 1 5 . 1 1 118 118 GLU N N 119 119.527 119.527 115.797 3.730 18282 3064 1 5 . 1 1 118 118 GLU HA H 119 4.086 4.086 3.886 0.200 18282 3065 1 5 . 1 1 118 118 GLU C C 119 176.265 176.265 174.707 1.558 18282 3066 1 5 . 1 1 118 118 GLU CA C 119 56.569 56.569 57.281 -0.712 18282 3067 1 5 . 1 1 118 118 GLU CB C 119 29.486 29.486 26.667 2.819 18282 3068 1 5 . 1 1 118 118 GLU H H 119 8.134 8.134 8.165 -0.031 18282 3069 1 5 . 1 1 119 119 HIS N N 120 118.076 118.076 118.382 -0.306 18282 3070 1 5 . 1 1 119 119 HIS HA H 120 4.485 4.485 4.413 0.072 18282 3071 1 5 . 1 1 119 119 HIS CA C 120 55.422 55.422 56.532 -1.110 18282 3072 1 5 . 1 1 119 119 HIS CB C 120 28.628 28.628 30.422 -1.794 18282 3073 1 5 . 1 1 119 119 HIS H H 120 8.134 8.134 7.872 0.262 18282 3074 1 5 . 1 1 120 120 HIS N N 121 119.323 119.323 123.064 -3.741 18282 3075 1 5 . 1 1 120 120 HIS HA H 121 4.242 4.242 4.700 -0.458 18282 3076 1 5 . 1 1 120 120 HIS CA C 121 56.732 56.732 54.491 2.241 18282 3077 1 5 . 1 1 120 120 HIS H H 121 8.372 8.372 7.961 0.411 18282 3078 1 5 . 1 1 121 121 HIS N N 122 126.032 126.032 119.979 6.053 18282 3079 1 5 . 1 1 121 121 HIS CA C 122 57.036 57.036 55.355 1.681 18282 3080 1 5 . 1 1 121 121 HIS CB C 122 29.923 29.923 31.423 -1.500 18282 3081 1 5 . 1 1 121 121 HIS H H 122 7.900 7.900 8.497 -0.597 18282 3082 1 5 . 1 1 122 122 HIS N N 123 121.012 121.012 121.057 -0.045 18282 3083 1 5 . 1 1 122 122 HIS HA H 123 4.595 4.595 4.578 0.017 18282 3084 1 5 . 1 1 122 122 HIS CA C 123 55.372 55.372 55.087 0.285 18282 3085 1 5 . 1 1 122 122 HIS CB C 123 29.165 29.165 31.097 -1.932 18282 3086 1 5 . 1 1 122 122 HIS H H 123 8.595 8.595 8.402 0.193 18282 3087 1 5 . 1 1 123 123 HIS N N 124 120.343 120.343 120.148 0.195 18282 3088 1 5 . 1 1 123 123 HIS CA C 124 57.380 57.380 55.491 1.889 18282 3089 1 5 . 1 1 123 123 HIS CB C 124 35.491 35.491 30.988 4.503 18282 3090 1 5 . 1 1 123 123 HIS H H 124 8.558 8.558 8.394 0.164 18282 3091 1 6 . 1 1 2 2 GLN N N 3 122.228 122.228 120.689 1.539 18282 3092 1 6 . 1 1 2 2 GLN HA H 3 3.896 3.896 4.045 -0.149 18282 3093 1 6 . 1 1 2 2 GLN C C 3 178.672 178.672 178.025 0.647 18282 3094 1 6 . 1 1 2 2 GLN CA C 3 58.794 58.794 58.174 0.620 18282 3095 1 6 . 1 1 2 2 GLN H H 3 9.310 9.310 8.584 0.726 18282 3096 1 6 . 1 1 3 3 GLU N N 4 119.529 119.529 120.008 -0.479 18282 3097 1 6 . 1 1 3 3 GLU C C 4 175.504 175.504 178.752 -3.248 18282 3098 1 6 . 1 1 3 3 GLU CA C 4 59.561 59.561 58.773 0.788 18282 3099 1 6 . 1 1 3 3 GLU CB C 4 28.876 28.876 28.805 0.071 18282 3100 1 6 . 1 1 3 3 GLU H H 4 8.489 8.489 8.785 -0.296 18282 3101 1 6 . 1 1 4 4 LEU N N 5 114.832 114.832 121.980 -7.148 18282 3102 1 6 . 1 1 4 4 LEU HA H 5 3.716 3.716 3.949 -0.233 18282 3103 1 6 . 1 1 4 4 LEU C C 5 178.276 178.276 178.086 0.190 18282 3104 1 6 . 1 1 4 4 LEU CA C 5 57.813 57.813 57.808 0.005 18282 3105 1 6 . 1 1 4 4 LEU CB C 5 40.844 40.844 41.690 -0.846 18282 3106 1 6 . 1 1 4 4 LEU H H 5 8.210 8.210 7.561 0.649 18282 3107 1 6 . 1 1 5 5 SER N N 6 109.726 109.726 114.566 -4.840 18282 3108 1 6 . 1 1 5 5 SER HA H 6 4.127 4.127 4.118 0.009 18282 3109 1 6 . 1 1 5 5 SER C C 6 178.508 178.508 176.816 1.692 18282 3110 1 6 . 1 1 5 5 SER CA C 6 60.401 60.401 62.012 -1.611 18282 3111 1 6 . 1 1 5 5 SER CB C 6 63.535 63.535 62.802 0.733 18282 3112 1 6 . 1 1 5 5 SER H H 6 8.247 8.247 8.460 -0.213 18282 3113 1 6 . 1 1 6 6 GLN N N 7 117.203 117.203 119.025 -1.822 18282 3114 1 6 . 1 1 6 6 GLN HA H 7 4.026 4.026 4.139 -0.113 18282 3115 1 6 . 1 1 6 6 GLN CA C 7 58.474 58.474 58.197 0.277 18282 3116 1 6 . 1 1 6 6 GLN H H 7 8.719 8.719 8.314 0.405 18282 3117 1 6 . 1 1 7 7 HIS C C 8 178.622 178.622 177.213 1.409 18282 3118 1 6 . 1 1 8 8 GLU N N 9 120.357 120.357 119.456 0.901 18282 3119 1 6 . 1 1 8 8 GLU HA H 9 3.969 3.969 4.158 -0.189 18282 3120 1 6 . 1 1 8 8 GLU C C 9 178.408 178.408 179.116 -0.708 18282 3121 1 6 . 1 1 8 8 GLU CA C 9 58.244 58.244 59.711 -1.467 18282 3122 1 6 . 1 1 8 8 GLU CB C 9 29.013 29.013 29.652 -0.639 18282 3123 1 6 . 1 1 8 8 GLU H H 9 7.701 7.701 7.851 -0.150 18282 3124 1 6 . 1 1 9 9 ARG N N 10 118.791 118.791 117.981 0.810 18282 3125 1 6 . 1 1 9 9 ARG HA H 10 4.124 4.124 4.001 0.123 18282 3126 1 6 . 1 1 9 9 ARG C C 10 178.599 178.599 178.635 -0.036 18282 3127 1 6 . 1 1 9 9 ARG CA C 10 58.633 58.633 59.097 -0.464 18282 3128 1 6 . 1 1 9 9 ARG CB C 10 29.005 29.005 30.161 -1.156 18282 3129 1 6 . 1 1 9 9 ARG H H 10 8.910 8.910 7.678 1.232 18282 3130 1 6 . 1 1 10 10 TYR N N 11 121.239 121.239 120.858 0.381 18282 3131 1 6 . 1 1 10 10 TYR HA H 11 4.186 4.186 4.054 0.132 18282 3132 1 6 . 1 1 10 10 TYR C C 11 176.644 176.644 177.495 -0.851 18282 3133 1 6 . 1 1 10 10 TYR CA C 11 61.311 61.311 61.602 -0.291 18282 3134 1 6 . 1 1 10 10 TYR CB C 11 37.956 37.956 38.123 -0.167 18282 3135 1 6 . 1 1 10 10 TYR H H 11 7.562 7.562 8.544 -0.982 18282 3136 1 6 . 1 1 11 11 VAL N N 12 119.249 119.249 118.366 0.883 18282 3137 1 6 . 1 1 11 11 VAL HA H 12 3.119 3.119 3.513 -0.394 18282 3138 1 6 . 1 1 11 11 VAL C C 12 177.275 177.275 178.267 -0.992 18282 3139 1 6 . 1 1 11 11 VAL CA C 12 66.925 66.925 66.434 0.491 18282 3140 1 6 . 1 1 11 11 VAL CB C 12 30.981 30.981 31.444 -0.463 18282 3141 1 6 . 1 1 11 11 VAL H H 12 8.087 8.087 7.550 0.537 18282 3142 1 6 . 1 1 12 12 GLU N N 13 119.569 119.569 118.276 1.293 18282 3143 1 6 . 1 1 12 12 GLU HA H 13 4.213 4.213 3.905 0.308 18282 3144 1 6 . 1 1 12 12 GLU C C 13 175.207 175.207 178.847 -3.640 18282 3145 1 6 . 1 1 12 12 GLU CA C 13 55.971 55.971 59.150 -3.179 18282 3146 1 6 . 1 1 12 12 GLU CB C 13 28.439 28.439 29.451 -1.012 18282 3147 1 6 . 1 1 12 12 GLU H H 13 8.312 8.312 7.528 0.784 18282 3148 1 6 . 1 1 13 13 GLN N N 14 119.375 119.375 120.138 -0.763 18282 3149 1 6 . 1 1 13 13 GLN HA H 14 3.657 3.657 4.014 -0.357 18282 3150 1 6 . 1 1 13 13 GLN CA C 14 54.294 54.294 58.265 -3.971 18282 3151 1 6 . 1 1 13 13 GLN CB C 14 29.681 29.681 28.370 1.311 18282 3152 1 6 . 1 1 13 13 GLN H H 14 7.690 7.690 8.688 -0.998 18282 3153 1 6 . 1 1 14 14 LEU HA H 15 3.865 3.865 3.706 0.159 18282 3154 1 6 . 1 1 14 14 LEU CA C 15 58.177 58.177 57.344 0.833 18282 3155 1 6 . 1 1 14 14 LEU CB C 15 40.693 40.693 40.718 -0.025 18282 3156 1 6 . 1 1 15 15 LYS HA H 16 3.737 3.737 3.867 -0.130 18282 3157 1 6 . 1 1 15 15 LYS C C 16 177.817 177.817 179.474 -1.657 18282 3158 1 6 . 1 1 15 15 LYS CA C 16 60.352 60.352 59.518 0.834 18282 3159 1 6 . 1 1 15 15 LYS CB C 16 32.106 32.106 31.990 0.116 18282 3160 1 6 . 1 1 16 16 GLN N N 17 117.498 117.498 118.344 -0.846 18282 3161 1 6 . 1 1 16 16 GLN HA H 17 3.864 3.864 3.936 -0.072 18282 3162 1 6 . 1 1 16 16 GLN CA C 17 58.307 58.307 58.632 -0.325 18282 3163 1 6 . 1 1 16 16 GLN CB C 17 27.788 27.788 28.541 -0.753 18282 3164 1 6 . 1 1 16 16 GLN H H 17 7.862 7.862 7.442 0.420 18282 3165 1 6 . 1 1 17 17 ALA HA H 18 3.793 3.793 3.968 -0.175 18282 3166 1 6 . 1 1 17 17 ALA C C 18 179.147 179.147 180.081 -0.934 18282 3167 1 6 . 1 1 17 17 ALA CA C 18 54.792 54.792 54.830 -0.038 18282 3168 1 6 . 1 1 17 17 ALA CB C 18 17.693 17.693 18.156 -0.463 18282 3169 1 6 . 1 1 18 18 LEU N N 19 117.278 117.278 118.936 -1.658 18282 3170 1 6 . 1 1 18 18 LEU HA H 19 3.784 3.784 3.734 0.050 18282 3171 1 6 . 1 1 18 18 LEU C C 19 174.935 174.935 178.885 -3.950 18282 3172 1 6 . 1 1 18 18 LEU CA C 19 57.731 57.731 57.400 0.331 18282 3173 1 6 . 1 1 18 18 LEU CB C 19 40.703 40.703 41.358 -0.655 18282 3174 1 6 . 1 1 18 18 LEU H H 19 8.168 8.168 8.051 0.117 18282 3175 1 6 . 1 1 19 19 LYS N N 20 118.025 118.025 119.073 -1.048 18282 3176 1 6 . 1 1 19 19 LYS C C 20 177.982 177.982 179.006 -1.024 18282 3177 1 6 . 1 1 19 19 LYS CA C 20 60.439 60.439 59.388 1.051 18282 3178 1 6 . 1 1 19 19 LYS H H 20 8.345 8.345 7.632 0.713 18282 3179 1 6 . 1 1 20 20 THR N N 21 116.345 116.345 113.593 2.752 18282 3180 1 6 . 1 1 20 20 THR HA H 21 4.126 4.126 4.075 0.051 18282 3181 1 6 . 1 1 20 20 THR C C 21 175.469 175.469 175.925 -0.456 18282 3182 1 6 . 1 1 20 20 THR CA C 21 64.643 64.643 64.619 0.024 18282 3183 1 6 . 1 1 20 20 THR CB C 21 68.652 68.652 68.953 -0.301 18282 3184 1 6 . 1 1 20 20 THR H H 21 7.896 7.896 7.508 0.388 18282 3185 1 6 . 1 1 21 21 ARG N N 22 118.792 118.792 119.717 -0.925 18282 3186 1 6 . 1 1 21 21 ARG HA H 22 4.375 4.375 4.312 0.063 18282 3187 1 6 . 1 1 21 21 ARG C C 22 176.364 176.364 177.007 -0.643 18282 3188 1 6 . 1 1 21 21 ARG CA C 22 54.157 54.157 55.477 -1.320 18282 3189 1 6 . 1 1 21 21 ARG CB C 22 29.453 29.453 29.717 -0.264 18282 3190 1 6 . 1 1 21 21 ARG H H 22 7.317 7.317 8.068 -0.751 18282 3191 1 6 . 1 1 22 22 GLY N N 23 108.428 108.428 106.479 1.949 18282 3192 1 6 . 1 1 22 22 GLY C C 23 174.154 174.154 174.169 -0.015 18282 3193 1 6 . 1 1 22 22 GLY CA C 23 45.953 45.953 45.111 0.842 18282 3194 1 6 . 1 1 22 22 GLY H H 23 7.881 7.881 7.649 0.232 18282 3195 1 6 . 1 1 23 23 VAL N N 24 117.319 117.319 118.066 -0.747 18282 3196 1 6 . 1 1 23 23 VAL HA H 24 4.036 4.036 4.152 -0.116 18282 3197 1 6 . 1 1 23 23 VAL C C 24 175.601 175.601 175.224 0.377 18282 3198 1 6 . 1 1 23 23 VAL CA C 24 61.635 61.635 60.721 0.914 18282 3199 1 6 . 1 1 23 23 VAL CB C 24 32.589 32.589 33.282 -0.693 18282 3200 1 6 . 1 1 23 23 VAL H H 24 7.431 7.431 7.186 0.245 18282 3201 1 6 . 1 1 24 24 LYS N N 25 127.424 127.424 123.005 4.419 18282 3202 1 6 . 1 1 24 24 LYS HA H 25 4.336 4.336 4.701 -0.365 18282 3203 1 6 . 1 1 24 24 LYS C C 25 175.550 175.550 174.944 0.606 18282 3204 1 6 . 1 1 24 24 LYS CA C 25 55.811 55.811 55.444 0.367 18282 3205 1 6 . 1 1 24 24 LYS CB C 25 32.269 32.269 33.871 -1.603 18282 3206 1 6 . 1 1 24 24 LYS H H 25 8.665 8.665 8.419 0.246 18282 3207 1 6 . 1 1 25 25 VAL N N 26 120.764 120.764 120.798 -0.034 18282 3208 1 6 . 1 1 25 25 VAL HA H 26 4.140 4.140 4.377 -0.237 18282 3209 1 6 . 1 1 25 25 VAL C C 26 174.206 174.206 175.050 -0.844 18282 3210 1 6 . 1 1 25 25 VAL CA C 26 60.316 60.316 60.217 0.099 18282 3211 1 6 . 1 1 25 25 VAL CB C 26 33.920 33.920 32.655 1.265 18282 3212 1 6 . 1 1 25 25 VAL H H 26 7.545 7.545 8.267 -0.722 18282 3213 1 6 . 1 1 26 26 LYS N N 27 125.707 125.707 124.339 1.368 18282 3214 1 6 . 1 1 26 26 LYS HA H 27 4.115 4.115 4.588 -0.473 18282 3215 1 6 . 1 1 26 26 LYS CA C 27 55.211 55.211 54.774 0.437 18282 3216 1 6 . 1 1 26 26 LYS CB C 27 31.930 31.930 34.044 -2.114 18282 3217 1 6 . 1 1 26 26 LYS H H 27 8.608 8.608 7.811 0.797 18282 3218 1 6 . 1 1 27 27 TYR CA C 28 56.418 56.418 61.786 -5.368 18282 3219 1 6 . 1 1 27 27 TYR CB C 28 37.036 37.036 37.060 -0.025 18282 3220 1 6 . 1 1 28 28 ALA N N 29 120.712 120.712 120.536 0.176 18282 3221 1 6 . 1 1 28 28 ALA HA H 29 3.712 3.712 4.049 -0.337 18282 3222 1 6 . 1 1 28 28 ALA C C 29 180.210 180.210 179.642 0.568 18282 3223 1 6 . 1 1 28 28 ALA CA C 29 54.911 54.911 54.608 0.303 18282 3224 1 6 . 1 1 28 28 ALA CB C 29 18.034 18.034 17.459 0.575 18282 3225 1 6 . 1 1 28 28 ALA H H 29 8.326 8.326 8.440 -0.114 18282 3226 1 6 . 1 1 29 29 ASP N N 30 117.166 117.166 119.338 -2.172 18282 3227 1 6 . 1 1 29 29 ASP HA H 30 4.379 4.379 4.419 -0.040 18282 3228 1 6 . 1 1 29 29 ASP C C 30 178.427 178.427 178.401 0.026 18282 3229 1 6 . 1 1 29 29 ASP CA C 30 56.459 56.459 57.034 -0.575 18282 3230 1 6 . 1 1 29 29 ASP CB C 30 39.962 39.962 40.651 -0.689 18282 3231 1 6 . 1 1 29 29 ASP H H 30 6.913 6.913 8.451 -1.538 18282 3232 1 6 . 1 1 30 30 LEU N N 31 123.105 123.105 120.134 2.971 18282 3233 1 6 . 1 1 30 30 LEU HA H 31 3.491 3.491 4.218 -0.727 18282 3234 1 6 . 1 1 30 30 LEU CA C 31 56.841 56.841 58.072 -1.230 18282 3235 1 6 . 1 1 30 30 LEU CB C 31 40.888 40.888 42.171 -1.283 18282 3236 1 6 . 1 1 30 30 LEU H H 31 7.543 7.543 7.589 -0.046 18282 3237 1 6 . 1 1 31 31 LEU HA H 32 3.611 3.611 3.959 -0.348 18282 3238 1 6 . 1 1 31 31 LEU C C 32 179.120 179.120 179.404 -0.284 18282 3239 1 6 . 1 1 31 31 LEU CA C 32 58.103 58.103 58.124 -0.021 18282 3240 1 6 . 1 1 31 31 LEU CB C 32 40.594 40.594 41.158 -0.564 18282 3241 1 6 . 1 1 32 32 LYS N N 33 118.074 118.074 118.907 -0.833 18282 3242 1 6 . 1 1 32 32 LYS HA H 33 4.202 4.202 4.158 0.044 18282 3243 1 6 . 1 1 32 32 LYS C C 33 180.044 180.044 178.618 1.426 18282 3244 1 6 . 1 1 32 32 LYS CA C 33 59.081 59.081 59.072 0.010 18282 3245 1 6 . 1 1 32 32 LYS CB C 33 31.735 31.735 32.625 -0.890 18282 3246 1 6 . 1 1 32 32 LYS H H 33 7.189 7.189 7.949 -0.760 18282 3247 1 6 . 1 1 33 33 PHE N N 34 122.977 122.977 120.721 2.256 18282 3248 1 6 . 1 1 33 33 PHE CA C 34 60.402 60.402 61.934 -1.532 18282 3249 1 6 . 1 1 33 33 PHE H H 34 7.768 7.768 8.697 -0.929 18282 3250 1 6 . 1 1 34 34 PHE HA H 35 3.800 3.800 4.113 -0.313 18282 3251 1 6 . 1 1 34 34 PHE C C 35 176.355 176.355 177.146 -0.791 18282 3252 1 6 . 1 1 34 34 PHE CA C 35 61.813 61.813 62.016 -0.203 18282 3253 1 6 . 1 1 34 34 PHE CB C 35 37.164 37.164 39.018 -1.854 18282 3254 1 6 . 1 1 35 35 ASP N N 36 119.969 119.969 119.993 -0.024 18282 3255 1 6 . 1 1 35 35 ASP C C 36 177.087 177.087 178.988 -1.901 18282 3256 1 6 . 1 1 35 35 ASP CA C 36 58.278 58.278 57.469 0.809 18282 3257 1 6 . 1 1 35 35 ASP CB C 36 39.578 39.578 40.292 -0.714 18282 3258 1 6 . 1 1 35 35 ASP H H 36 8.338 8.338 7.974 0.364 18282 3259 1 6 . 1 1 36 36 PHE N N 37 122.901 122.901 119.250 3.651 18282 3260 1 6 . 1 1 36 36 PHE C C 37 178.788 178.788 177.846 0.942 18282 3261 1 6 . 1 1 36 36 PHE CA C 37 61.416 61.416 60.703 0.713 18282 3262 1 6 . 1 1 36 36 PHE CB C 37 38.369 38.369 38.846 -0.477 18282 3263 1 6 . 1 1 36 36 PHE H H 37 7.860 7.860 8.327 -0.467 18282 3264 1 6 . 1 1 37 37 VAL N N 38 122.329 122.329 114.126 8.203 18282 3265 1 6 . 1 1 37 37 VAL HA H 38 3.100 3.100 3.640 -0.540 18282 3266 1 6 . 1 1 37 37 VAL C C 38 176.147 176.147 177.455 -1.308 18282 3267 1 6 . 1 1 37 37 VAL CA C 38 67.153 67.153 65.175 1.978 18282 3268 1 6 . 1 1 37 37 VAL CB C 38 30.625 30.625 31.672 -1.047 18282 3269 1 6 . 1 1 37 37 VAL H H 38 8.451 8.451 7.517 0.934 18282 3270 1 6 . 1 1 38 38 LYS N N 39 118.837 118.837 120.038 -1.201 18282 3271 1 6 . 1 1 38 38 LYS HA H 39 3.473 3.473 3.876 -0.403 18282 3272 1 6 . 1 1 38 38 LYS C C 39 176.361 176.361 178.429 -2.068 18282 3273 1 6 . 1 1 38 38 LYS CA C 39 59.519 59.519 59.598 -0.079 18282 3274 1 6 . 1 1 38 38 LYS CB C 39 31.628 31.628 32.238 -0.610 18282 3275 1 6 . 1 1 38 38 LYS H H 39 7.581 7.581 8.242 -0.661 18282 3276 1 6 . 1 1 39 39 ASP N N 40 116.210 116.210 117.560 -1.350 18282 3277 1 6 . 1 1 39 39 ASP HA H 40 4.261 4.261 4.449 -0.188 18282 3278 1 6 . 1 1 39 39 ASP CA C 40 56.580 56.580 56.441 0.139 18282 3279 1 6 . 1 1 39 39 ASP CB C 40 40.977 40.977 40.793 0.184 18282 3280 1 6 . 1 1 39 39 ASP H H 40 8.052 8.052 7.950 0.102 18282 3281 1 6 . 1 1 40 40 THR N N 41 109.215 109.215 107.559 1.656 18282 3282 1 6 . 1 1 40 40 THR C C 41 174.559 174.559 175.201 -0.642 18282 3283 1 6 . 1 1 40 40 THR H H 41 7.232 7.232 7.842 -0.610 18282 3284 1 6 . 1 1 41 41 CYS N N 42 117.927 117.927 119.948 -2.021 18282 3285 1 6 . 1 1 41 41 CYS CA C 42 55.865 55.865 58.556 -2.691 18282 3286 1 6 . 1 1 41 41 CYS CB C 42 28.500 28.500 26.205 2.295 18282 3287 1 6 . 1 1 41 41 CYS H H 42 7.197 7.197 8.450 -1.253 18282 3288 1 6 . 1 1 42 42 PRO HA H 43 3.987 3.987 4.426 -0.439 18282 3289 1 6 . 1 1 42 42 PRO C C 43 176.688 176.688 178.292 -1.604 18282 3290 1 6 . 1 1 42 42 PRO CA C 43 65.206 65.206 64.433 0.773 18282 3291 1 6 . 1 1 42 42 PRO CB C 43 30.767 30.767 32.083 -1.316 18282 3292 1 6 . 1 1 43 43 TRP N N 44 113.805 113.805 119.618 -5.813 18282 3293 1 6 . 1 1 43 43 TRP HA H 44 4.361 4.361 4.595 -0.234 18282 3294 1 6 . 1 1 43 43 TRP C C 44 176.982 176.982 175.857 1.125 18282 3295 1 6 . 1 1 43 43 TRP CA C 44 61.758 61.758 58.605 3.153 18282 3296 1 6 . 1 1 43 43 TRP CB C 44 27.771 27.771 28.880 -1.109 18282 3297 1 6 . 1 1 43 43 TRP H H 44 6.632 6.632 8.117 -1.485 18282 3298 1 6 . 1 1 44 44 PHE N N 45 123.019 123.019 117.617 5.402 18282 3299 1 6 . 1 1 44 44 PHE HA H 45 4.043 4.043 4.169 -0.126 18282 3300 1 6 . 1 1 44 44 PHE CA C 45 62.990 62.990 58.156 4.834 18282 3301 1 6 . 1 1 44 44 PHE CB C 45 35.109 35.109 37.336 -2.227 18282 3302 1 6 . 1 1 44 44 PHE H H 45 7.302 7.302 7.618 -0.316 18282 3303 1 6 . 1 1 45 45 PRO HA H 46 4.015 4.015 4.276 -0.261 18282 3304 1 6 . 1 1 45 45 PRO C C 46 176.462 176.462 176.720 -0.258 18282 3305 1 6 . 1 1 45 45 PRO CA C 46 64.582 64.582 63.975 0.607 18282 3306 1 6 . 1 1 45 45 PRO CB C 46 30.254 30.254 31.476 -1.222 18282 3307 1 6 . 1 1 46 46 GLN N N 47 114.404 114.404 118.229 -3.825 18282 3308 1 6 . 1 1 46 46 GLN HA H 47 3.941 3.941 3.870 0.071 18282 3309 1 6 . 1 1 46 46 GLN C C 47 177.234 177.234 176.823 0.411 18282 3310 1 6 . 1 1 46 46 GLN CA C 47 58.328 58.328 58.295 0.033 18282 3311 1 6 . 1 1 46 46 GLN CB C 47 28.471 28.471 27.764 0.707 18282 3312 1 6 . 1 1 46 46 GLN H H 47 6.544 6.544 7.990 -1.446 18282 3313 1 6 . 1 1 47 47 GLU N N 48 117.356 117.356 117.084 0.272 18282 3314 1 6 . 1 1 47 47 GLU HA H 48 4.085 4.085 4.266 -0.181 18282 3315 1 6 . 1 1 47 47 GLU C C 48 179.130 179.130 176.586 2.544 18282 3316 1 6 . 1 1 47 47 GLU CA C 48 58.215 58.215 55.886 2.329 18282 3317 1 6 . 1 1 47 47 GLU CB C 48 29.247 29.247 30.942 -1.695 18282 3318 1 6 . 1 1 47 47 GLU H H 48 7.710 7.710 7.355 0.355 18282 3319 1 6 . 1 1 48 48 GLY N N 49 105.456 105.456 108.645 -3.189 18282 3320 1 6 . 1 1 48 48 GLY C C 49 171.006 171.006 173.346 -2.340 18282 3321 1 6 . 1 1 48 48 GLY CA C 49 47.085 47.085 45.545 1.540 18282 3322 1 6 . 1 1 48 48 GLY H H 49 7.296 7.296 7.539 -0.243 18282 3323 1 6 . 1 1 49 49 THR N N 50 114.015 114.015 114.013 0.002 18282 3324 1 6 . 1 1 49 49 THR HA H 50 4.248 4.248 4.889 -0.641 18282 3325 1 6 . 1 1 49 49 THR CA C 50 61.830 61.830 59.872 1.958 18282 3326 1 6 . 1 1 49 49 THR CB C 50 70.692 70.692 71.347 -0.655 18282 3327 1 6 . 1 1 49 49 THR H H 50 7.599 7.599 7.650 -0.051 18282 3328 1 6 . 1 1 50 50 ILE HA H 51 4.135 4.135 4.294 -0.159 18282 3329 1 6 . 1 1 50 50 ILE C C 51 172.608 172.608 174.736 -2.128 18282 3330 1 6 . 1 1 50 50 ILE CA C 51 59.075 59.075 61.330 -2.255 18282 3331 1 6 . 1 1 50 50 ILE CB C 51 35.416 35.416 38.721 -3.305 18282 3332 1 6 . 1 1 51 51 ASP N N 52 121.859 121.859 125.360 -3.501 18282 3333 1 6 . 1 1 51 51 ASP HA H 52 4.625 4.625 4.667 -0.042 18282 3334 1 6 . 1 1 51 51 ASP C C 52 175.770 175.770 175.234 0.536 18282 3335 1 6 . 1 1 51 51 ASP CA C 52 51.634 51.634 53.011 -1.377 18282 3336 1 6 . 1 1 51 51 ASP CB C 52 42.528 42.528 41.954 0.574 18282 3337 1 6 . 1 1 51 51 ASP H H 52 7.176 7.176 7.627 -0.451 18282 3338 1 6 . 1 1 52 52 ILE N N 53 119.549 119.549 122.411 -2.862 18282 3339 1 6 . 1 1 52 52 ILE HA H 53 4.150 4.150 4.007 0.143 18282 3340 1 6 . 1 1 52 52 ILE C C 53 176.961 176.961 177.059 -0.098 18282 3341 1 6 . 1 1 52 52 ILE CA C 53 61.899 61.899 62.286 -0.387 18282 3342 1 6 . 1 1 52 52 ILE CB C 53 37.700 37.700 38.858 -1.158 18282 3343 1 6 . 1 1 52 52 ILE H H 53 8.777 8.777 8.477 0.300 18282 3344 1 6 . 1 1 53 53 LYS N N 54 123.515 123.515 120.280 3.235 18282 3345 1 6 . 1 1 53 53 LYS HA H 54 4.116 4.116 4.233 -0.117 18282 3346 1 6 . 1 1 53 53 LYS C C 54 180.448 180.448 179.100 1.348 18282 3347 1 6 . 1 1 53 53 LYS CA C 54 59.934 59.934 59.145 0.789 18282 3348 1 6 . 1 1 53 53 LYS CB C 54 31.875 31.875 31.889 -0.014 18282 3349 1 6 . 1 1 53 53 LYS H H 54 8.106 8.106 8.441 -0.335 18282 3350 1 6 . 1 1 54 54 ARG N N 55 120.371 120.371 120.093 0.278 18282 3351 1 6 . 1 1 54 54 ARG HA H 55 4.422 4.422 4.088 0.334 18282 3352 1 6 . 1 1 54 54 ARG C C 55 179.159 179.159 178.520 0.639 18282 3353 1 6 . 1 1 54 54 ARG CA C 55 59.726 59.726 59.467 0.259 18282 3354 1 6 . 1 1 54 54 ARG CB C 55 37.368 37.368 29.844 7.524 18282 3355 1 6 . 1 1 54 54 ARG H H 55 9.183 9.183 8.528 0.655 18282 3356 1 6 . 1 1 55 55 TRP N N 56 120.755 120.755 120.739 0.016 18282 3357 1 6 . 1 1 55 55 TRP HA H 56 4.747 4.747 4.267 0.480 18282 3358 1 6 . 1 1 55 55 TRP C C 56 179.954 179.954 177.596 2.358 18282 3359 1 6 . 1 1 55 55 TRP CA C 56 60.105 60.105 59.572 0.533 18282 3360 1 6 . 1 1 55 55 TRP CB C 56 29.997 29.997 28.993 1.004 18282 3361 1 6 . 1 1 55 55 TRP H H 56 8.927 8.927 8.221 0.706 18282 3362 1 6 . 1 1 56 56 ARG N N 57 122.194 122.194 119.877 2.317 18282 3363 1 6 . 1 1 56 56 ARG HA H 57 4.406 4.406 3.611 0.795 18282 3364 1 6 . 1 1 56 56 ARG C C 57 178.101 178.101 178.355 -0.254 18282 3365 1 6 . 1 1 56 56 ARG CA C 57 60.198 60.198 59.576 0.622 18282 3366 1 6 . 1 1 56 56 ARG CB C 57 29.585 29.585 29.952 -0.367 18282 3367 1 6 . 1 1 56 56 ARG H H 57 9.220 9.220 7.474 1.746 18282 3368 1 6 . 1 1 57 57 ARG N N 58 120.674 120.674 118.884 1.790 18282 3369 1 6 . 1 1 57 57 ARG HA H 58 4.186 4.186 3.985 0.201 18282 3370 1 6 . 1 1 57 57 ARG C C 58 179.445 179.445 178.728 0.717 18282 3371 1 6 . 1 1 57 57 ARG CA C 58 59.832 59.832 59.691 0.141 18282 3372 1 6 . 1 1 57 57 ARG CB C 58 29.753 29.753 30.111 -0.358 18282 3373 1 6 . 1 1 57 57 ARG H H 58 7.605 7.605 7.533 0.072 18282 3374 1 6 . 1 1 58 58 VAL N N 59 121.833 121.833 118.753 3.080 18282 3375 1 6 . 1 1 58 58 VAL HA H 59 3.675 3.675 3.933 -0.258 18282 3376 1 6 . 1 1 58 58 VAL C C 59 176.565 176.565 177.358 -0.793 18282 3377 1 6 . 1 1 58 58 VAL CA C 59 65.920 65.920 65.276 0.644 18282 3378 1 6 . 1 1 58 58 VAL CB C 59 30.785 30.785 31.653 -0.868 18282 3379 1 6 . 1 1 58 58 VAL H H 59 7.819 7.819 7.506 0.312 18282 3380 1 6 . 1 1 59 59 GLY N N 60 106.521 106.521 107.970 -1.449 18282 3381 1 6 . 1 1 59 59 GLY C C 60 175.923 175.923 175.550 0.373 18282 3382 1 6 . 1 1 59 59 GLY CA C 60 45.982 45.982 47.161 -1.179 18282 3383 1 6 . 1 1 59 59 GLY H H 60 7.540 7.540 8.239 -0.699 18282 3384 1 6 . 1 1 60 60 ASP N N 61 123.066 123.066 123.082 -0.016 18282 3385 1 6 . 1 1 60 60 ASP HA H 61 4.261 4.261 4.566 -0.305 18282 3386 1 6 . 1 1 60 60 ASP C C 61 178.537 178.537 178.719 -0.182 18282 3387 1 6 . 1 1 60 60 ASP CA C 61 56.907 56.907 56.768 0.139 18282 3388 1 6 . 1 1 60 60 ASP CB C 61 39.654 39.654 40.385 -0.731 18282 3389 1 6 . 1 1 60 60 ASP H H 61 8.197 8.197 8.466 -0.269 18282 3390 1 6 . 1 1 61 61 CYS N N 62 121.005 121.005 119.664 1.341 18282 3391 1 6 . 1 1 61 61 CYS C C 62 177.083 177.083 176.755 0.328 18282 3392 1 6 . 1 1 61 61 CYS CA C 62 62.380 62.380 63.391 -1.011 18282 3393 1 6 . 1 1 61 61 CYS CB C 62 26.011 26.011 26.732 -0.721 18282 3394 1 6 . 1 1 61 61 CYS H H 62 7.858 7.858 7.728 0.130 18282 3395 1 6 . 1 1 62 62 PHE N N 63 119.362 119.362 118.911 0.451 18282 3396 1 6 . 1 1 62 62 PHE HA H 63 4.117 4.117 4.223 -0.106 18282 3397 1 6 . 1 1 62 62 PHE C C 63 178.081 178.081 178.348 -0.267 18282 3398 1 6 . 1 1 62 62 PHE CA C 63 57.843 57.843 62.325 -4.482 18282 3399 1 6 . 1 1 62 62 PHE CB C 63 36.605 36.605 38.462 -1.857 18282 3400 1 6 . 1 1 62 62 PHE H H 63 8.530 8.530 8.697 -0.167 18282 3401 1 6 . 1 1 63 63 GLN N N 64 118.829 118.829 119.540 -0.711 18282 3402 1 6 . 1 1 63 63 GLN HA H 64 4.199 4.199 4.205 -0.006 18282 3403 1 6 . 1 1 63 63 GLN C C 64 177.645 177.645 178.130 -0.485 18282 3404 1 6 . 1 1 63 63 GLN CA C 64 59.094 59.094 59.459 -0.365 18282 3405 1 6 . 1 1 63 63 GLN CB C 64 28.337 28.337 28.616 -0.279 18282 3406 1 6 . 1 1 63 63 GLN H H 64 8.236 8.236 8.710 -0.474 18282 3407 1 6 . 1 1 64 64 ASP N N 65 120.234 120.234 120.457 -0.223 18282 3408 1 6 . 1 1 64 64 ASP HA H 65 4.481 4.481 4.329 0.152 18282 3409 1 6 . 1 1 64 64 ASP CA C 65 57.301 57.301 56.962 0.339 18282 3410 1 6 . 1 1 64 64 ASP CB C 65 40.773 40.773 40.311 0.462 18282 3411 1 6 . 1 1 64 64 ASP H H 65 8.257 8.257 8.168 0.089 18282 3412 1 6 . 1 1 65 65 TYR HA H 66 4.598 4.598 4.339 0.259 18282 3413 1 6 . 1 1 65 65 TYR C C 66 178.524 178.524 178.672 -0.148 18282 3414 1 6 . 1 1 65 65 TYR CA C 66 60.355 60.355 61.423 -1.068 18282 3415 1 6 . 1 1 65 65 TYR CB C 66 37.796 37.796 38.411 -0.615 18282 3416 1 6 . 1 1 66 66 TYR N N 67 122.741 122.741 120.565 2.176 18282 3417 1 6 . 1 1 66 66 TYR HA H 67 4.044 4.044 4.199 -0.155 18282 3418 1 6 . 1 1 66 66 TYR C C 67 178.220 178.220 177.050 1.170 18282 3419 1 6 . 1 1 66 66 TYR CA C 67 61.726 61.726 62.142 -0.416 18282 3420 1 6 . 1 1 66 66 TYR CB C 67 38.932 38.932 38.515 0.417 18282 3421 1 6 . 1 1 66 66 TYR H H 67 9.083 9.083 8.719 0.364 18282 3422 1 6 . 1 1 67 67 ASN N N 68 118.530 118.530 115.722 2.808 18282 3423 1 6 . 1 1 67 67 ASN HA H 68 4.378 4.378 4.556 -0.178 18282 3424 1 6 . 1 1 67 67 ASN C C 68 176.633 176.633 177.808 -1.175 18282 3425 1 6 . 1 1 67 67 ASN CA C 68 55.293 55.293 55.364 -0.071 18282 3426 1 6 . 1 1 67 67 ASN CB C 68 37.860 37.860 38.815 -0.955 18282 3427 1 6 . 1 1 67 67 ASN H H 68 8.796 8.796 8.575 0.221 18282 3428 1 6 . 1 1 68 68 THR N N 69 114.328 114.328 112.522 1.806 18282 3429 1 6 . 1 1 68 68 THR HA H 69 3.872 3.872 4.155 -0.283 18282 3430 1 6 . 1 1 68 68 THR C C 69 174.832 174.832 175.029 -0.197 18282 3431 1 6 . 1 1 68 68 THR CA C 69 65.224 65.224 64.604 0.620 18282 3432 1 6 . 1 1 68 68 THR CB C 69 69.484 69.484 68.383 1.101 18282 3433 1 6 . 1 1 68 68 THR H H 69 7.960 7.960 7.750 0.210 18282 3434 1 6 . 1 1 69 69 PHE N N 70 118.107 118.107 119.959 -1.852 18282 3435 1 6 . 1 1 69 69 PHE HA H 70 4.626 4.626 4.789 -0.163 18282 3436 1 6 . 1 1 69 69 PHE C C 70 176.495 176.495 175.305 1.190 18282 3437 1 6 . 1 1 69 69 PHE CA C 70 58.409 58.409 57.662 0.747 18282 3438 1 6 . 1 1 69 69 PHE CB C 70 40.742 40.742 39.894 0.848 18282 3439 1 6 . 1 1 69 69 PHE H H 70 8.591 8.591 8.137 0.454 18282 3440 1 6 . 1 1 70 70 GLY N N 71 109.309 109.309 108.329 0.980 18282 3441 1 6 . 1 1 70 70 GLY CA C 71 44.684 44.684 45.352 -0.668 18282 3442 1 6 . 1 1 70 70 GLY H H 71 7.893 7.893 7.235 0.658 18282 3443 1 6 . 1 1 71 71 PRO HA H 72 4.691 4.691 4.651 0.040 18282 3444 1 6 . 1 1 71 71 PRO C C 72 177.772 177.772 176.629 1.143 18282 3445 1 6 . 1 1 71 71 PRO CA C 72 63.458 63.458 62.398 1.060 18282 3446 1 6 . 1 1 71 71 PRO CB C 72 31.823 31.823 33.179 -1.356 18282 3447 1 6 . 1 1 72 72 GLU N N 73 117.421 117.421 123.458 -6.037 18282 3448 1 6 . 1 1 72 72 GLU HA H 73 4.061 4.061 4.079 -0.018 18282 3449 1 6 . 1 1 72 72 GLU C C 73 177.236 177.236 177.350 -0.114 18282 3450 1 6 . 1 1 72 72 GLU CA C 73 58.570 58.570 58.252 0.318 18282 3451 1 6 . 1 1 72 72 GLU CB C 73 28.853 28.853 30.090 -1.237 18282 3452 1 6 . 1 1 72 72 GLU H H 73 8.595 8.595 8.612 -0.017 18282 3453 1 6 . 1 1 73 73 LYS N N 74 116.846 116.846 119.685 -2.839 18282 3454 1 6 . 1 1 73 73 LYS HA H 74 4.381 4.381 4.252 0.129 18282 3455 1 6 . 1 1 73 73 LYS C C 74 175.662 175.662 175.564 0.098 18282 3456 1 6 . 1 1 73 73 LYS CA C 74 55.263 55.263 57.184 -1.921 18282 3457 1 6 . 1 1 73 73 LYS CB C 74 33.891 33.891 32.253 1.638 18282 3458 1 6 . 1 1 73 73 LYS H H 74 7.493 7.493 8.205 -0.712 18282 3459 1 6 . 1 1 74 74 VAL N N 75 118.056 118.056 119.566 -1.510 18282 3460 1 6 . 1 1 74 74 VAL HA H 75 4.423 4.423 3.988 0.435 18282 3461 1 6 . 1 1 74 74 VAL CA C 75 58.438 58.438 62.184 -3.746 18282 3462 1 6 . 1 1 74 74 VAL CB C 75 33.763 33.763 31.306 2.457 18282 3463 1 6 . 1 1 74 74 VAL H H 75 7.342 7.342 7.692 -0.350 18282 3464 1 6 . 1 1 75 75 PRO HA H 76 4.585 4.585 4.536 0.049 18282 3465 1 6 . 1 1 75 75 PRO C C 76 178.543 178.543 177.622 0.921 18282 3466 1 6 . 1 1 75 75 PRO CA C 76 61.911 61.911 62.926 -1.015 18282 3467 1 6 . 1 1 75 75 PRO CB C 76 32.035 32.035 32.485 -0.450 18282 3468 1 6 . 1 1 76 76 VAL N N 77 119.825 119.825 125.657 -5.832 18282 3469 1 6 . 1 1 76 76 VAL HA H 77 3.921 3.921 4.060 -0.139 18282 3470 1 6 . 1 1 76 76 VAL CA C 77 65.316 65.316 64.672 0.644 18282 3471 1 6 . 1 1 76 76 VAL CB C 77 31.316 31.316 31.318 -0.002 18282 3472 1 6 . 1 1 76 76 VAL H H 77 8.604 8.604 8.541 0.063 18282 3473 1 6 . 1 1 77 77 THR N N 78 109.390 109.390 111.593 -2.203 18282 3474 1 6 . 1 1 77 77 THR HA H 78 3.914 3.914 4.164 -0.250 18282 3475 1 6 . 1 1 77 77 THR C C 78 175.732 175.732 175.955 -0.223 18282 3476 1 6 . 1 1 77 77 THR CA C 78 62.803 62.803 65.080 -2.277 18282 3477 1 6 . 1 1 77 77 THR CB C 78 68.357 68.357 68.492 -0.135 18282 3478 1 6 . 1 1 77 77 THR H H 78 7.380 7.380 8.306 -0.926 18282 3479 1 6 . 1 1 78 78 ALA N N 79 123.661 123.661 123.741 -0.080 18282 3480 1 6 . 1 1 78 78 ALA HA H 79 4.001 4.001 4.306 -0.305 18282 3481 1 6 . 1 1 78 78 ALA C C 79 179.527 179.527 179.441 0.086 18282 3482 1 6 . 1 1 78 78 ALA CA C 79 55.091 55.091 54.619 0.472 18282 3483 1 6 . 1 1 78 78 ALA CB C 79 17.561 17.561 18.384 -0.823 18282 3484 1 6 . 1 1 78 78 ALA H H 79 7.811 7.811 7.647 0.164 18282 3485 1 6 . 1 1 79 79 PHE N N 80 114.258 114.258 119.269 -5.011 18282 3486 1 6 . 1 1 79 79 PHE HA H 80 4.452 4.452 4.320 0.132 18282 3487 1 6 . 1 1 79 79 PHE C C 80 178.586 178.586 177.024 1.562 18282 3488 1 6 . 1 1 79 79 PHE CA C 80 61.656 61.656 60.888 0.768 18282 3489 1 6 . 1 1 79 79 PHE CB C 80 37.694 37.694 39.134 -1.440 18282 3490 1 6 . 1 1 79 79 PHE H H 80 7.306 7.306 9.133 -1.827 18282 3491 1 6 . 1 1 80 80 SER N N 81 116.865 116.865 115.759 1.106 18282 3492 1 6 . 1 1 80 80 SER CA C 81 61.824 61.824 62.240 -0.416 18282 3493 1 6 . 1 1 80 80 SER H H 81 7.733 7.733 7.922 -0.189 18282 3494 1 6 . 1 1 81 81 TYR N N 82 121.932 121.932 122.005 -0.073 18282 3495 1 6 . 1 1 81 81 TYR HA H 82 4.133 4.133 4.164 -0.031 18282 3496 1 6 . 1 1 81 81 TYR C C 82 177.701 177.701 177.549 0.152 18282 3497 1 6 . 1 1 81 81 TYR CA C 82 60.027 60.027 62.043 -2.016 18282 3498 1 6 . 1 1 81 81 TYR CB C 82 34.104 34.104 38.343 -4.239 18282 3499 1 6 . 1 1 81 81 TYR H H 82 8.151 8.151 7.588 0.563 18282 3500 1 6 . 1 1 82 82 TRP N N 83 120.817 120.817 119.739 1.078 18282 3501 1 6 . 1 1 82 82 TRP HA H 83 4.436 4.436 4.266 0.170 18282 3502 1 6 . 1 1 82 82 TRP CA C 83 63.975 63.975 60.693 3.282 18282 3503 1 6 . 1 1 82 82 TRP CB C 83 28.557 28.557 29.394 -0.837 18282 3504 1 6 . 1 1 82 82 TRP H H 83 8.645 8.645 8.068 0.577 18282 3505 1 6 . 1 1 83 83 ASN HA H 84 4.230 4.230 4.378 -0.148 18282 3506 1 6 . 1 1 83 83 ASN C C 84 176.140 176.140 177.879 -1.739 18282 3507 1 6 . 1 1 83 83 ASN CA C 84 56.683 56.683 56.192 0.491 18282 3508 1 6 . 1 1 83 83 ASN CB C 84 39.116 39.116 37.676 1.440 18282 3509 1 6 . 1 1 84 84 LEU N N 85 121.884 121.884 121.988 -0.104 18282 3510 1 6 . 1 1 84 84 LEU HA H 85 4.054 4.054 4.135 -0.081 18282 3511 1 6 . 1 1 84 84 LEU C C 85 178.369 178.369 178.344 0.025 18282 3512 1 6 . 1 1 84 84 LEU CA C 85 58.228 58.228 57.788 0.440 18282 3513 1 6 . 1 1 84 84 LEU CB C 85 41.576 41.576 41.911 -0.335 18282 3514 1 6 . 1 1 84 84 LEU H H 85 7.751 7.751 8.090 -0.339 18282 3515 1 6 . 1 1 85 85 ILE N N 86 116.825 116.825 119.236 -2.411 18282 3516 1 6 . 1 1 85 85 ILE HA H 86 3.462 3.462 3.567 -0.105 18282 3517 1 6 . 1 1 85 85 ILE C C 86 176.809 176.809 177.857 -1.048 18282 3518 1 6 . 1 1 85 85 ILE CA C 86 61.345 61.345 65.528 -4.183 18282 3519 1 6 . 1 1 85 85 ILE CB C 86 34.099 34.099 37.669 -3.570 18282 3520 1 6 . 1 1 85 85 ILE H H 86 7.952 7.952 8.594 -0.642 18282 3521 1 6 . 1 1 86 86 LYS N N 87 121.846 121.846 119.686 2.160 18282 3522 1 6 . 1 1 86 86 LYS HA H 87 3.231 3.231 3.623 -0.392 18282 3523 1 6 . 1 1 86 86 LYS C C 87 177.221 177.221 178.085 -0.864 18282 3524 1 6 . 1 1 86 86 LYS CA C 87 60.033 60.033 59.867 0.167 18282 3525 1 6 . 1 1 86 86 LYS CB C 87 31.005 31.005 31.923 -0.918 18282 3526 1 6 . 1 1 86 86 LYS H H 87 7.876 7.876 7.840 0.036 18282 3527 1 6 . 1 1 87 87 GLU N N 88 116.331 116.331 118.915 -2.584 18282 3528 1 6 . 1 1 87 87 GLU HA H 88 3.861 3.861 4.518 -0.657 18282 3529 1 6 . 1 1 87 87 GLU C C 88 178.810 178.810 178.771 0.039 18282 3530 1 6 . 1 1 87 87 GLU CA C 88 58.949 58.949 58.112 0.837 18282 3531 1 6 . 1 1 87 87 GLU CB C 88 29.221 29.221 28.578 0.643 18282 3532 1 6 . 1 1 87 87 GLU H H 88 7.679 7.679 7.620 0.059 18282 3533 1 6 . 1 1 88 88 LEU N N 89 118.090 118.090 120.575 -2.485 18282 3534 1 6 . 1 1 88 88 LEU HA H 89 3.909 3.909 4.012 -0.103 18282 3535 1 6 . 1 1 88 88 LEU CA C 89 57.688 57.688 57.888 -0.200 18282 3536 1 6 . 1 1 88 88 LEU CB C 89 41.436 41.436 41.904 -0.468 18282 3537 1 6 . 1 1 88 88 LEU H H 89 7.441 7.441 7.988 -0.547 18282 3538 1 6 . 1 1 89 89 ILE HA H 90 3.344 3.344 3.680 -0.336 18282 3539 1 6 . 1 1 89 89 ILE CA C 90 65.082 65.082 64.611 0.471 18282 3540 1 6 . 1 1 89 89 ILE CB C 90 37.556 37.556 38.045 -0.489 18282 3541 1 6 . 1 1 90 90 ASP HA H 91 3.894 3.894 4.481 -0.587 18282 3542 1 6 . 1 1 90 90 ASP CA C 91 57.678 57.678 55.095 2.583 18282 3543 1 6 . 1 1 90 90 ASP CB C 91 40.546 40.546 39.952 0.594 18282 3544 1 6 . 1 1 91 91 LYS N N 92 119.422 119.422 119.315 0.107 18282 3545 1 6 . 1 1 91 91 LYS CA C 92 54.600 54.600 57.890 -3.290 18282 3546 1 6 . 1 1 91 91 LYS CB C 92 32.014 32.014 32.475 -0.461 18282 3547 1 6 . 1 1 91 91 LYS H H 92 7.903 7.903 7.817 0.086 18282 3548 1 6 . 1 1 92 92 LYS HA H 93 4.541 4.541 3.898 0.643 18282 3549 1 6 . 1 1 92 92 LYS CA C 93 55.202 55.202 59.219 -4.017 18282 3550 1 6 . 1 1 92 92 LYS CB C 93 31.758 31.758 30.993 0.765 18282 3551 1 6 . 1 1 93 93 GLU N N 94 115.922 115.922 122.728 -6.806 18282 3552 1 6 . 1 1 93 93 GLU HA H 94 4.283 4.283 4.267 0.016 18282 3553 1 6 . 1 1 93 93 GLU C C 94 175.613 175.613 176.332 -0.719 18282 3554 1 6 . 1 1 93 93 GLU CA C 94 56.296 56.296 55.701 0.595 18282 3555 1 6 . 1 1 93 93 GLU CB C 94 29.415 29.415 28.904 0.511 18282 3556 1 6 . 1 1 93 93 GLU H H 94 8.140 8.140 7.968 0.172 18282 3557 1 6 . 1 1 94 94 VAL N N 95 121.304 121.304 120.639 0.665 18282 3558 1 6 . 1 1 94 94 VAL HA H 95 3.773 3.773 4.144 -0.371 18282 3559 1 6 . 1 1 94 94 VAL CA C 95 62.257 62.257 61.678 0.579 18282 3560 1 6 . 1 1 94 94 VAL CB C 95 32.047 32.047 32.928 -0.881 18282 3561 1 6 . 1 1 94 94 VAL H H 95 8.003 8.003 7.973 0.030 18282 3562 1 6 . 1 1 95 95 ASN H H 96 7.518 7.518 8.550 -1.032 18282 3563 1 6 . 1 1 96 96 PRO HA H 97 4.319 4.319 4.034 0.285 18282 3564 1 6 . 1 1 96 96 PRO C C 97 179.088 179.088 178.325 0.763 18282 3565 1 6 . 1 1 96 96 PRO CA C 97 64.963 64.963 65.516 -0.553 18282 3566 1 6 . 1 1 96 96 PRO CB C 97 32.035 32.035 31.676 0.359 18282 3567 1 6 . 1 1 97 97 GLN N N 98 117.793 117.793 117.825 -0.032 18282 3568 1 6 . 1 1 97 97 GLN HA H 98 3.952 3.952 4.094 -0.142 18282 3569 1 6 . 1 1 97 97 GLN C C 98 179.272 179.272 178.163 1.109 18282 3570 1 6 . 1 1 97 97 GLN CA C 98 55.691 55.691 58.938 -3.247 18282 3571 1 6 . 1 1 97 97 GLN CB C 98 28.378 28.378 28.177 0.201 18282 3572 1 6 . 1 1 97 97 GLN H H 98 8.351 8.351 8.602 -0.251 18282 3573 1 6 . 1 1 98 98 VAL N N 99 121.247 121.247 119.056 2.191 18282 3574 1 6 . 1 1 98 98 VAL HA H 99 3.440 3.440 3.749 -0.309 18282 3575 1 6 . 1 1 98 98 VAL CA C 99 67.776 67.776 66.218 1.558 18282 3576 1 6 . 1 1 98 98 VAL CB C 99 31.574 31.574 31.372 0.202 18282 3577 1 6 . 1 1 98 98 VAL H H 99 7.901 7.901 8.148 -0.247 18282 3578 1 6 . 1 1 100 100 ALA HA H 101 4.218 4.218 4.050 0.168 18282 3579 1 6 . 1 1 100 100 ALA C C 101 179.599 179.599 178.937 0.662 18282 3580 1 6 . 1 1 100 100 ALA CA C 101 54.685 54.685 54.665 0.020 18282 3581 1 6 . 1 1 100 100 ALA CB C 101 17.562 17.562 17.995 -0.433 18282 3582 1 6 . 1 1 101 101 ALA N N 102 119.533 119.533 121.207 -1.674 18282 3583 1 6 . 1 1 101 101 ALA HA H 102 4.005 4.005 4.344 -0.339 18282 3584 1 6 . 1 1 101 101 ALA C C 102 180.970 180.970 179.547 1.423 18282 3585 1 6 . 1 1 101 101 ALA CA C 102 55.013 55.013 54.435 0.578 18282 3586 1 6 . 1 1 101 101 ALA CB C 102 17.422 17.422 18.235 -0.813 18282 3587 1 6 . 1 1 101 101 ALA H H 102 7.559 7.559 7.920 -0.361 18282 3588 1 6 . 1 1 102 102 VAL N N 103 122.669 122.669 118.455 4.214 18282 3589 1 6 . 1 1 102 102 VAL HA H 103 4.087 4.087 3.723 0.364 18282 3590 1 6 . 1 1 102 102 VAL C C 103 175.666 175.666 176.673 -1.007 18282 3591 1 6 . 1 1 102 102 VAL CA C 103 61.850 61.850 64.422 -2.572 18282 3592 1 6 . 1 1 102 102 VAL CB C 103 32.576 32.576 30.979 1.597 18282 3593 1 6 . 1 1 102 102 VAL H H 103 8.851 8.851 7.733 1.118 18282 3594 1 6 . 1 1 103 103 ALA N N 104 128.048 128.048 121.026 7.022 18282 3595 1 6 . 1 1 103 103 ALA HA H 104 4.288 4.288 4.091 0.197 18282 3596 1 6 . 1 1 103 103 ALA C C 104 177.344 177.344 178.110 -0.766 18282 3597 1 6 . 1 1 103 103 ALA CA C 104 52.194 52.194 53.731 -1.537 18282 3598 1 6 . 1 1 103 103 ALA CB C 104 19.021 19.021 18.891 0.130 18282 3599 1 6 . 1 1 103 103 ALA H H 104 8.374 8.374 7.529 0.845 18282 3600 1 6 . 1 1 104 104 GLN N N 105 120.285 120.285 116.929 3.356 18282 3601 1 6 . 1 1 104 104 GLN HA H 105 4.281 4.281 4.192 0.089 18282 3602 1 6 . 1 1 104 104 GLN CA C 105 55.656 55.656 56.237 -0.581 18282 3603 1 6 . 1 1 104 104 GLN CB C 105 32.581 32.581 28.643 3.938 18282 3604 1 6 . 1 1 104 104 GLN H H 105 8.374 8.374 7.955 0.419 18282 3605 1 6 . 1 1 105 105 THR HA H 106 4.293 4.293 4.125 0.168 18282 3606 1 6 . 1 1 105 105 THR C C 106 174.384 174.384 174.955 -0.571 18282 3607 1 6 . 1 1 105 105 THR CA C 106 61.663 61.663 62.989 -1.326 18282 3608 1 6 . 1 1 105 105 THR CB C 106 69.458 69.458 69.077 0.381 18282 3609 1 6 . 1 1 106 106 GLU N N 107 122.744 122.744 121.028 1.716 18282 3610 1 6 . 1 1 106 106 GLU HA H 107 4.241 4.241 4.379 -0.138 18282 3611 1 6 . 1 1 106 106 GLU C C 107 176.331 176.331 175.250 1.081 18282 3612 1 6 . 1 1 106 106 GLU CA C 107 56.621 56.621 56.144 0.477 18282 3613 1 6 . 1 1 106 106 GLU CB C 107 30.004 30.004 30.240 -0.236 18282 3614 1 6 . 1 1 106 106 GLU H H 107 8.415 8.415 8.032 0.383 18282 3615 1 6 . 1 1 107 107 GLU N N 108 121.993 121.993 119.981 2.012 18282 3616 1 6 . 1 1 107 107 GLU HA H 108 4.184 4.184 4.523 -0.339 18282 3617 1 6 . 1 1 107 107 GLU C C 108 176.404 176.404 177.925 -1.521 18282 3618 1 6 . 1 1 107 107 GLU CA C 108 56.721 56.721 55.735 0.986 18282 3619 1 6 . 1 1 107 107 GLU CB C 108 29.770 29.770 30.693 -0.923 18282 3620 1 6 . 1 1 107 107 GLU H H 108 8.334 8.334 8.635 -0.301 18282 3621 1 6 . 1 1 108 108 ILE N N 109 122.204 122.204 120.549 1.655 18282 3622 1 6 . 1 1 108 108 ILE HA H 109 4.052 4.052 3.898 0.154 18282 3623 1 6 . 1 1 108 108 ILE C C 109 176.261 176.261 175.620 0.641 18282 3624 1 6 . 1 1 108 108 ILE CA C 109 61.245 61.245 63.465 -2.220 18282 3625 1 6 . 1 1 108 108 ILE CB C 109 38.157 38.157 37.586 0.571 18282 3626 1 6 . 1 1 108 108 ILE H H 109 8.068 8.068 8.844 -0.776 18282 3627 1 6 . 1 1 109 109 LEU N N 110 125.608 125.608 118.300 7.308 18282 3628 1 6 . 1 1 109 109 LEU HA H 110 4.295 4.295 4.444 -0.149 18282 3629 1 6 . 1 1 109 109 LEU C C 110 177.275 177.275 177.640 -0.365 18282 3630 1 6 . 1 1 109 109 LEU CA C 110 55.103 55.103 54.601 0.502 18282 3631 1 6 . 1 1 109 109 LEU CB C 110 41.929 41.929 41.442 0.487 18282 3632 1 6 . 1 1 109 109 LEU H H 110 8.187 8.187 7.396 0.791 18282 3633 1 6 . 1 1 110 110 LYS N N 111 122.154 122.154 120.222 1.932 18282 3634 1 6 . 1 1 110 110 LYS HA H 111 4.278 4.278 4.234 0.044 18282 3635 1 6 . 1 1 110 110 LYS C C 111 176.606 176.606 177.108 -0.502 18282 3636 1 6 . 1 1 110 110 LYS CA C 111 56.125 56.125 58.255 -2.130 18282 3637 1 6 . 1 1 110 110 LYS CB C 111 32.423 32.423 32.372 0.051 18282 3638 1 6 . 1 1 110 110 LYS H H 111 8.206 8.206 8.030 0.176 18282 3639 1 6 . 1 1 111 111 SER N N 112 116.381 116.381 113.936 2.445 18282 3640 1 6 . 1 1 111 111 SER HA H 112 4.395 4.395 4.251 0.144 18282 3641 1 6 . 1 1 111 111 SER C C 112 175.168 175.168 176.211 -1.043 18282 3642 1 6 . 1 1 111 111 SER CA C 112 58.456 58.456 60.776 -2.320 18282 3643 1 6 . 1 1 111 111 SER CB C 112 63.495 63.495 62.998 0.496 18282 3644 1 6 . 1 1 111 111 SER H H 112 8.217 8.217 8.144 0.073 18282 3645 1 6 . 1 1 112 112 ASN N N 113 119.799 119.799 118.959 0.840 18282 3646 1 6 . 1 1 112 112 ASN HA H 113 4.699 4.699 4.578 0.121 18282 3647 1 6 . 1 1 112 112 ASN C C 113 175.552 175.552 175.627 -0.075 18282 3648 1 6 . 1 1 112 112 ASN CA C 113 53.592 53.592 55.035 -1.443 18282 3649 1 6 . 1 1 112 112 ASN CB C 113 38.772 38.772 39.118 -0.346 18282 3650 1 6 . 1 1 112 112 ASN H H 113 7.950 7.950 8.015 -0.065 18282 3651 1 6 . 1 1 113 113 SER N N 114 115.430 115.430 110.159 5.271 18282 3652 1 6 . 1 1 113 113 SER HA H 114 4.382 4.382 4.648 -0.266 18282 3653 1 6 . 1 1 113 113 SER C C 114 174.558 174.558 173.327 1.231 18282 3654 1 6 . 1 1 113 113 SER CA C 114 58.919 58.919 57.095 1.824 18282 3655 1 6 . 1 1 113 113 SER CB C 114 63.494 63.494 64.364 -0.870 18282 3656 1 6 . 1 1 113 113 SER H H 114 7.970 7.970 7.534 0.436 18282 3657 1 6 . 1 1 114 114 GLN N N 115 121.973 121.973 120.034 1.939 18282 3658 1 6 . 1 1 114 114 GLN HA H 115 4.347 4.347 4.129 0.218 18282 3659 1 6 . 1 1 114 114 GLN C C 115 176.246 176.246 175.924 0.322 18282 3660 1 6 . 1 1 114 114 GLN CA C 115 56.036 56.036 58.711 -2.675 18282 3661 1 6 . 1 1 114 114 GLN CB C 115 29.196 29.196 29.329 -0.133 18282 3662 1 6 . 1 1 114 114 GLN H H 115 8.382 8.382 8.852 -0.470 18282 3663 1 6 . 1 1 115 115 THR N N 116 114.701 114.701 105.664 9.037 18282 3664 1 6 . 1 1 115 115 THR HA H 116 4.238 4.238 4.513 -0.275 18282 3665 1 6 . 1 1 115 115 THR C C 116 174.276 174.276 173.622 0.654 18282 3666 1 6 . 1 1 115 115 THR CA C 116 62.221 62.221 60.160 2.061 18282 3667 1 6 . 1 1 115 115 THR CB C 116 69.405 69.405 71.671 -2.266 18282 3668 1 6 . 1 1 115 115 THR H H 116 8.070 8.070 7.378 0.692 18282 3669 1 6 . 1 1 116 116 ASP N N 117 122.566 122.566 120.764 1.802 18282 3670 1 6 . 1 1 116 116 ASP HA H 117 4.575 4.575 4.430 0.145 18282 3671 1 6 . 1 1 116 116 ASP C C 117 176.241 176.241 177.836 -1.595 18282 3672 1 6 . 1 1 116 116 ASP CA C 117 54.286 54.286 56.975 -2.689 18282 3673 1 6 . 1 1 116 116 ASP CB C 117 40.609 40.609 40.578 0.031 18282 3674 1 6 . 1 1 116 116 ASP H H 117 8.288 8.288 8.711 -0.423 18282 3675 1 6 . 1 1 117 117 LEU N N 118 122.118 122.118 119.462 2.656 18282 3676 1 6 . 1 1 117 117 LEU HA H 118 4.163 4.163 4.159 0.004 18282 3677 1 6 . 1 1 117 117 LEU C C 118 177.637 177.637 176.405 1.232 18282 3678 1 6 . 1 1 117 117 LEU CA C 118 55.475 55.475 55.802 -0.327 18282 3679 1 6 . 1 1 117 117 LEU CB C 118 41.964 41.964 42.661 -0.697 18282 3680 1 6 . 1 1 117 117 LEU H H 118 8.088 8.088 7.596 0.492 18282 3681 1 6 . 1 1 118 118 GLU N N 119 119.527 119.527 116.644 2.883 18282 3682 1 6 . 1 1 118 118 GLU HA H 119 4.086 4.086 3.902 0.184 18282 3683 1 6 . 1 1 118 118 GLU C C 119 176.265 176.265 174.483 1.782 18282 3684 1 6 . 1 1 118 118 GLU CA C 119 56.569 56.569 57.146 -0.577 18282 3685 1 6 . 1 1 118 118 GLU CB C 119 29.486 29.486 29.498 -0.012 18282 3686 1 6 . 1 1 118 118 GLU H H 119 8.134 8.134 7.724 0.410 18282 3687 1 6 . 1 1 119 119 HIS N N 120 118.076 118.076 122.631 -4.555 18282 3688 1 6 . 1 1 119 119 HIS HA H 120 4.485 4.485 4.624 -0.139 18282 3689 1 6 . 1 1 119 119 HIS CA C 120 55.422 55.422 55.281 0.142 18282 3690 1 6 . 1 1 119 119 HIS CB C 120 28.628 28.628 31.770 -3.142 18282 3691 1 6 . 1 1 119 119 HIS H H 120 8.134 8.134 8.377 -0.243 18282 3692 1 6 . 1 1 120 120 HIS N N 121 119.323 119.323 121.621 -2.298 18282 3693 1 6 . 1 1 120 120 HIS HA H 121 4.242 4.242 4.711 -0.469 18282 3694 1 6 . 1 1 120 120 HIS CA C 121 56.732 56.732 55.394 1.338 18282 3695 1 6 . 1 1 120 120 HIS H H 121 8.372 8.372 8.254 0.118 18282 3696 1 6 . 1 1 121 121 HIS N N 122 126.032 126.032 121.159 4.873 18282 3697 1 6 . 1 1 121 121 HIS CA C 122 57.036 57.036 55.120 1.916 18282 3698 1 6 . 1 1 121 121 HIS CB C 122 29.923 29.923 31.439 -1.516 18282 3699 1 6 . 1 1 121 121 HIS H H 122 7.900 7.900 8.469 -0.569 18282 3700 1 6 . 1 1 122 122 HIS N N 123 121.012 121.012 120.344 0.668 18282 3701 1 6 . 1 1 122 122 HIS HA H 123 4.595 4.595 4.604 -0.009 18282 3702 1 6 . 1 1 122 122 HIS CA C 123 55.372 55.372 55.262 0.110 18282 3703 1 6 . 1 1 122 122 HIS CB C 123 29.165 29.165 30.677 -1.512 18282 3704 1 6 . 1 1 122 122 HIS H H 123 8.595 8.595 8.395 0.200 18282 3705 1 6 . 1 1 123 123 HIS N N 124 120.343 120.343 120.163 0.180 18282 3706 1 6 . 1 1 123 123 HIS CA C 124 57.380 57.380 55.545 1.835 18282 3707 1 6 . 1 1 123 123 HIS CB C 124 35.491 35.491 31.166 4.325 18282 3708 1 6 . 1 1 123 123 HIS H H 124 8.558 8.558 8.385 0.173 18282 3709 1 7 . 1 1 2 2 GLN N N 3 122.228 122.228 120.647 1.581 18282 3710 1 7 . 1 1 2 2 GLN HA H 3 3.896 3.896 4.109 -0.213 18282 3711 1 7 . 1 1 2 2 GLN C C 3 178.672 178.672 178.240 0.432 18282 3712 1 7 . 1 1 2 2 GLN CA C 3 58.794 58.794 58.113 0.681 18282 3713 1 7 . 1 1 2 2 GLN H H 3 9.310 9.310 8.590 0.720 18282 3714 1 7 . 1 1 3 3 GLU N N 4 119.529 119.529 120.032 -0.503 18282 3715 1 7 . 1 1 3 3 GLU C C 4 175.504 175.504 178.627 -3.123 18282 3716 1 7 . 1 1 3 3 GLU CA C 4 59.561 59.561 58.193 1.368 18282 3717 1 7 . 1 1 3 3 GLU CB C 4 28.876 28.876 28.852 0.024 18282 3718 1 7 . 1 1 3 3 GLU H H 4 8.489 8.489 8.668 -0.179 18282 3719 1 7 . 1 1 4 4 LEU N N 5 114.832 114.832 122.091 -7.259 18282 3720 1 7 . 1 1 4 4 LEU HA H 5 3.716 3.716 3.931 -0.215 18282 3721 1 7 . 1 1 4 4 LEU C C 5 178.276 178.276 177.999 0.277 18282 3722 1 7 . 1 1 4 4 LEU CA C 5 57.813 57.813 57.798 0.015 18282 3723 1 7 . 1 1 4 4 LEU CB C 5 40.844 40.844 41.554 -0.710 18282 3724 1 7 . 1 1 4 4 LEU H H 5 8.210 8.210 8.212 -0.002 18282 3725 1 7 . 1 1 5 5 SER N N 6 109.726 109.726 113.804 -4.078 18282 3726 1 7 . 1 1 5 5 SER HA H 6 4.127 4.127 4.063 0.064 18282 3727 1 7 . 1 1 5 5 SER C C 6 178.508 178.508 176.960 1.548 18282 3728 1 7 . 1 1 5 5 SER CA C 6 60.401 60.401 62.085 -1.684 18282 3729 1 7 . 1 1 5 5 SER CB C 6 63.535 63.535 62.867 0.668 18282 3730 1 7 . 1 1 5 5 SER H H 6 8.247 8.247 7.815 0.432 18282 3731 1 7 . 1 1 6 6 GLN N N 7 117.203 117.203 120.251 -3.048 18282 3732 1 7 . 1 1 6 6 GLN HA H 7 4.026 4.026 4.020 0.006 18282 3733 1 7 . 1 1 6 6 GLN CA C 7 58.474 58.474 58.770 -0.296 18282 3734 1 7 . 1 1 6 6 GLN H H 7 8.719 8.719 8.625 0.094 18282 3735 1 7 . 1 1 7 7 HIS C C 8 178.622 178.622 177.546 1.076 18282 3736 1 7 . 1 1 8 8 GLU N N 9 120.357 120.357 118.100 2.257 18282 3737 1 7 . 1 1 8 8 GLU HA H 9 3.969 3.969 4.091 -0.122 18282 3738 1 7 . 1 1 8 8 GLU C C 9 178.408 178.408 179.316 -0.908 18282 3739 1 7 . 1 1 8 8 GLU CA C 9 58.244 58.244 59.506 -1.262 18282 3740 1 7 . 1 1 8 8 GLU CB C 9 29.013 29.013 29.183 -0.170 18282 3741 1 7 . 1 1 8 8 GLU H H 9 7.701 7.701 7.926 -0.225 18282 3742 1 7 . 1 1 9 9 ARG N N 10 118.791 118.791 118.963 -0.172 18282 3743 1 7 . 1 1 9 9 ARG HA H 10 4.124 4.124 4.003 0.121 18282 3744 1 7 . 1 1 9 9 ARG C C 10 178.599 178.599 178.568 0.031 18282 3745 1 7 . 1 1 9 9 ARG CA C 10 58.633 58.633 59.260 -0.627 18282 3746 1 7 . 1 1 9 9 ARG CB C 10 29.005 29.005 30.122 -1.117 18282 3747 1 7 . 1 1 9 9 ARG H H 10 8.910 8.910 7.592 1.318 18282 3748 1 7 . 1 1 10 10 TYR N N 11 121.239 121.239 121.772 -0.533 18282 3749 1 7 . 1 1 10 10 TYR HA H 11 4.186 4.186 4.063 0.123 18282 3750 1 7 . 1 1 10 10 TYR C C 11 176.644 176.644 177.859 -1.215 18282 3751 1 7 . 1 1 10 10 TYR CA C 11 61.311 61.311 61.841 -0.530 18282 3752 1 7 . 1 1 10 10 TYR CB C 11 37.956 37.956 38.135 -0.179 18282 3753 1 7 . 1 1 10 10 TYR H H 11 7.562 7.562 8.386 -0.824 18282 3754 1 7 . 1 1 11 11 VAL N N 12 119.249 119.249 118.997 0.252 18282 3755 1 7 . 1 1 11 11 VAL HA H 12 3.119 3.119 3.525 -0.406 18282 3756 1 7 . 1 1 11 11 VAL C C 12 177.275 177.275 178.312 -1.037 18282 3757 1 7 . 1 1 11 11 VAL CA C 12 66.925 66.925 66.546 0.379 18282 3758 1 7 . 1 1 11 11 VAL CB C 12 30.981 30.981 31.467 -0.486 18282 3759 1 7 . 1 1 11 11 VAL H H 12 8.087 8.087 7.543 0.544 18282 3760 1 7 . 1 1 12 12 GLU N N 13 119.569 119.569 117.849 1.720 18282 3761 1 7 . 1 1 12 12 GLU HA H 13 4.213 4.213 3.964 0.249 18282 3762 1 7 . 1 1 12 12 GLU C C 13 175.207 175.207 178.944 -3.737 18282 3763 1 7 . 1 1 12 12 GLU CA C 13 55.971 55.971 58.726 -2.755 18282 3764 1 7 . 1 1 12 12 GLU CB C 13 28.439 28.439 29.343 -0.904 18282 3765 1 7 . 1 1 12 12 GLU H H 13 8.312 8.312 7.516 0.796 18282 3766 1 7 . 1 1 13 13 GLN N N 14 119.375 119.375 120.462 -1.087 18282 3767 1 7 . 1 1 13 13 GLN HA H 14 3.657 3.657 4.008 -0.351 18282 3768 1 7 . 1 1 13 13 GLN CA C 14 54.294 54.294 58.293 -3.999 18282 3769 1 7 . 1 1 13 13 GLN CB C 14 29.681 29.681 28.230 1.451 18282 3770 1 7 . 1 1 13 13 GLN H H 14 7.690 7.690 8.746 -1.056 18282 3771 1 7 . 1 1 14 14 LEU HA H 15 3.865 3.865 3.759 0.106 18282 3772 1 7 . 1 1 14 14 LEU CA C 15 58.177 58.177 57.299 0.878 18282 3773 1 7 . 1 1 14 14 LEU CB C 15 40.693 40.693 40.667 0.026 18282 3774 1 7 . 1 1 15 15 LYS HA H 16 3.737 3.737 3.857 -0.120 18282 3775 1 7 . 1 1 15 15 LYS C C 16 177.817 177.817 179.455 -1.638 18282 3776 1 7 . 1 1 15 15 LYS CA C 16 60.352 60.352 59.519 0.833 18282 3777 1 7 . 1 1 15 15 LYS CB C 16 32.106 32.106 32.011 0.095 18282 3778 1 7 . 1 1 16 16 GLN N N 17 117.498 117.498 118.596 -1.098 18282 3779 1 7 . 1 1 16 16 GLN HA H 17 3.864 3.864 3.981 -0.117 18282 3780 1 7 . 1 1 16 16 GLN CA C 17 58.307 58.307 58.436 -0.129 18282 3781 1 7 . 1 1 16 16 GLN CB C 17 27.788 27.788 28.602 -0.814 18282 3782 1 7 . 1 1 16 16 GLN H H 17 7.862 7.862 7.726 0.136 18282 3783 1 7 . 1 1 17 17 ALA HA H 18 3.793 3.793 3.979 -0.186 18282 3784 1 7 . 1 1 17 17 ALA C C 18 179.147 179.147 180.078 -0.931 18282 3785 1 7 . 1 1 17 17 ALA CA C 18 54.792 54.792 54.808 -0.016 18282 3786 1 7 . 1 1 17 17 ALA CB C 18 17.693 17.693 18.166 -0.473 18282 3787 1 7 . 1 1 18 18 LEU N N 19 117.278 117.278 118.868 -1.590 18282 3788 1 7 . 1 1 18 18 LEU HA H 19 3.784 3.784 3.742 0.042 18282 3789 1 7 . 1 1 18 18 LEU C C 19 174.935 174.935 178.863 -3.928 18282 3790 1 7 . 1 1 18 18 LEU CA C 19 57.731 57.731 57.352 0.379 18282 3791 1 7 . 1 1 18 18 LEU CB C 19 40.703 40.703 41.392 -0.689 18282 3792 1 7 . 1 1 18 18 LEU H H 19 8.168 8.168 7.829 0.339 18282 3793 1 7 . 1 1 19 19 LYS N N 20 118.025 118.025 119.093 -1.068 18282 3794 1 7 . 1 1 19 19 LYS C C 20 177.982 177.982 178.988 -1.006 18282 3795 1 7 . 1 1 19 19 LYS CA C 20 60.439 60.439 59.403 1.036 18282 3796 1 7 . 1 1 19 19 LYS H H 20 8.345 8.345 7.643 0.702 18282 3797 1 7 . 1 1 20 20 THR N N 21 116.345 116.345 113.757 2.588 18282 3798 1 7 . 1 1 20 20 THR HA H 21 4.126 4.126 4.057 0.069 18282 3799 1 7 . 1 1 20 20 THR C C 21 175.469 175.469 175.917 -0.448 18282 3800 1 7 . 1 1 20 20 THR CA C 21 64.643 64.643 64.700 -0.057 18282 3801 1 7 . 1 1 20 20 THR CB C 21 68.652 68.652 68.919 -0.267 18282 3802 1 7 . 1 1 20 20 THR H H 21 7.896 7.896 7.624 0.272 18282 3803 1 7 . 1 1 21 21 ARG N N 22 118.792 118.792 119.298 -0.506 18282 3804 1 7 . 1 1 21 21 ARG HA H 22 4.375 4.375 4.210 0.165 18282 3805 1 7 . 1 1 21 21 ARG C C 22 176.364 176.364 176.599 -0.235 18282 3806 1 7 . 1 1 21 21 ARG CA C 22 54.157 54.157 55.506 -1.349 18282 3807 1 7 . 1 1 21 21 ARG CB C 22 29.453 29.453 29.685 -0.232 18282 3808 1 7 . 1 1 21 21 ARG H H 22 7.317 7.317 8.032 -0.715 18282 3809 1 7 . 1 1 22 22 GLY N N 23 108.428 108.428 107.139 1.289 18282 3810 1 7 . 1 1 22 22 GLY C C 23 174.154 174.154 174.098 0.056 18282 3811 1 7 . 1 1 22 22 GLY CA C 23 45.953 45.953 45.433 0.520 18282 3812 1 7 . 1 1 22 22 GLY H H 23 7.881 7.881 7.713 0.168 18282 3813 1 7 . 1 1 23 23 VAL N N 24 117.319 117.319 116.978 0.341 18282 3814 1 7 . 1 1 23 23 VAL HA H 24 4.036 4.036 4.054 -0.018 18282 3815 1 7 . 1 1 23 23 VAL C C 24 175.601 175.601 174.996 0.605 18282 3816 1 7 . 1 1 23 23 VAL CA C 24 61.635 61.635 60.799 0.836 18282 3817 1 7 . 1 1 23 23 VAL CB C 24 32.589 32.589 32.997 -0.408 18282 3818 1 7 . 1 1 23 23 VAL H H 24 7.431 7.431 7.039 0.392 18282 3819 1 7 . 1 1 24 24 LYS N N 25 127.424 127.424 123.974 3.450 18282 3820 1 7 . 1 1 24 24 LYS HA H 25 4.336 4.336 4.497 -0.161 18282 3821 1 7 . 1 1 24 24 LYS C C 25 175.550 175.550 174.798 0.752 18282 3822 1 7 . 1 1 24 24 LYS CA C 25 55.811 55.811 55.605 0.206 18282 3823 1 7 . 1 1 24 24 LYS CB C 25 32.269 32.269 33.918 -1.649 18282 3824 1 7 . 1 1 24 24 LYS H H 25 8.665 8.665 8.371 0.294 18282 3825 1 7 . 1 1 25 25 VAL N N 26 120.764 120.764 119.777 0.987 18282 3826 1 7 . 1 1 25 25 VAL HA H 26 4.140 4.140 4.314 -0.174 18282 3827 1 7 . 1 1 25 25 VAL C C 26 174.206 174.206 175.218 -1.012 18282 3828 1 7 . 1 1 25 25 VAL CA C 26 60.316 60.316 60.603 -0.287 18282 3829 1 7 . 1 1 25 25 VAL CB C 26 33.920 33.920 32.273 1.647 18282 3830 1 7 . 1 1 25 25 VAL H H 26 7.545 7.545 8.289 -0.744 18282 3831 1 7 . 1 1 26 26 LYS N N 27 125.707 125.707 127.424 -1.717 18282 3832 1 7 . 1 1 26 26 LYS HA H 27 4.115 4.115 4.444 -0.329 18282 3833 1 7 . 1 1 26 26 LYS CA C 27 55.211 55.211 54.427 0.784 18282 3834 1 7 . 1 1 26 26 LYS CB C 27 31.930 31.930 35.436 -3.506 18282 3835 1 7 . 1 1 26 26 LYS H H 27 8.608 8.608 7.937 0.671 18282 3836 1 7 . 1 1 27 27 TYR CA C 28 56.418 56.418 62.357 -5.939 18282 3837 1 7 . 1 1 27 27 TYR CB C 28 37.036 37.036 37.549 -0.513 18282 3838 1 7 . 1 1 28 28 ALA N N 29 120.712 120.712 120.661 0.051 18282 3839 1 7 . 1 1 28 28 ALA HA H 29 3.712 3.712 4.046 -0.334 18282 3840 1 7 . 1 1 28 28 ALA C C 29 180.210 180.210 179.662 0.548 18282 3841 1 7 . 1 1 28 28 ALA CA C 29 54.911 54.911 54.588 0.323 18282 3842 1 7 . 1 1 28 28 ALA CB C 29 18.034 18.034 17.483 0.551 18282 3843 1 7 . 1 1 28 28 ALA H H 29 8.326 8.326 8.380 -0.054 18282 3844 1 7 . 1 1 29 29 ASP N N 30 117.166 117.166 119.374 -2.208 18282 3845 1 7 . 1 1 29 29 ASP HA H 30 4.379 4.379 4.398 -0.019 18282 3846 1 7 . 1 1 29 29 ASP C C 30 178.427 178.427 178.323 0.104 18282 3847 1 7 . 1 1 29 29 ASP CA C 30 56.459 56.459 57.121 -0.662 18282 3848 1 7 . 1 1 29 29 ASP CB C 30 39.962 39.962 40.502 -0.540 18282 3849 1 7 . 1 1 29 29 ASP H H 30 6.913 6.913 8.561 -1.648 18282 3850 1 7 . 1 1 30 30 LEU N N 31 123.105 123.105 120.194 2.911 18282 3851 1 7 . 1 1 30 30 LEU HA H 31 3.491 3.491 4.145 -0.654 18282 3852 1 7 . 1 1 30 30 LEU CA C 31 56.841 56.841 58.070 -1.229 18282 3853 1 7 . 1 1 30 30 LEU CB C 31 40.888 40.888 42.078 -1.190 18282 3854 1 7 . 1 1 30 30 LEU H H 31 7.543 7.543 7.515 0.028 18282 3855 1 7 . 1 1 31 31 LEU HA H 32 3.611 3.611 3.984 -0.373 18282 3856 1 7 . 1 1 31 31 LEU C C 32 179.120 179.120 179.712 -0.592 18282 3857 1 7 . 1 1 31 31 LEU CA C 32 58.103 58.103 57.973 0.130 18282 3858 1 7 . 1 1 31 31 LEU CB C 32 40.594 40.594 41.208 -0.614 18282 3859 1 7 . 1 1 32 32 LYS N N 33 118.074 118.074 118.870 -0.796 18282 3860 1 7 . 1 1 32 32 LYS HA H 33 4.202 4.202 3.841 0.361 18282 3861 1 7 . 1 1 32 32 LYS C C 33 180.044 180.044 179.090 0.954 18282 3862 1 7 . 1 1 32 32 LYS CA C 33 59.081 59.081 59.421 -0.340 18282 3863 1 7 . 1 1 32 32 LYS CB C 33 31.735 31.735 32.393 -0.658 18282 3864 1 7 . 1 1 32 32 LYS H H 33 7.189 7.189 8.106 -0.917 18282 3865 1 7 . 1 1 33 33 PHE N N 34 122.977 122.977 119.562 3.415 18282 3866 1 7 . 1 1 33 33 PHE CA C 34 60.402 60.402 61.345 -0.943 18282 3867 1 7 . 1 1 33 33 PHE H H 34 7.768 7.768 8.844 -1.076 18282 3868 1 7 . 1 1 34 34 PHE HA H 35 3.800 3.800 4.080 -0.280 18282 3869 1 7 . 1 1 34 34 PHE C C 35 176.355 176.355 177.314 -0.959 18282 3870 1 7 . 1 1 34 34 PHE CA C 35 61.813 61.813 62.267 -0.454 18282 3871 1 7 . 1 1 34 34 PHE CB C 35 37.164 37.164 38.958 -1.794 18282 3872 1 7 . 1 1 35 35 ASP N N 36 119.969 119.969 118.654 1.315 18282 3873 1 7 . 1 1 35 35 ASP C C 36 177.087 177.087 179.049 -1.962 18282 3874 1 7 . 1 1 35 35 ASP CA C 36 58.278 58.278 57.497 0.781 18282 3875 1 7 . 1 1 35 35 ASP CB C 36 39.578 39.578 40.471 -0.893 18282 3876 1 7 . 1 1 35 35 ASP H H 36 8.338 8.338 8.063 0.275 18282 3877 1 7 . 1 1 36 36 PHE N N 37 122.901 122.901 119.817 3.084 18282 3878 1 7 . 1 1 36 36 PHE C C 37 178.788 178.788 177.643 1.145 18282 3879 1 7 . 1 1 36 36 PHE CA C 37 61.416 61.416 60.356 1.060 18282 3880 1 7 . 1 1 36 36 PHE CB C 37 38.369 38.369 38.532 -0.163 18282 3881 1 7 . 1 1 36 36 PHE H H 37 7.860 7.860 7.848 0.012 18282 3882 1 7 . 1 1 37 37 VAL N N 38 122.329 122.329 115.012 7.317 18282 3883 1 7 . 1 1 37 37 VAL HA H 38 3.100 3.100 3.725 -0.625 18282 3884 1 7 . 1 1 37 37 VAL C C 38 176.147 176.147 177.941 -1.794 18282 3885 1 7 . 1 1 37 37 VAL CA C 38 67.153 67.153 65.861 1.292 18282 3886 1 7 . 1 1 37 37 VAL CB C 38 30.625 30.625 31.789 -1.164 18282 3887 1 7 . 1 1 37 37 VAL H H 38 8.451 8.451 8.788 -0.337 18282 3888 1 7 . 1 1 38 38 LYS N N 39 118.837 118.837 120.348 -1.511 18282 3889 1 7 . 1 1 38 38 LYS HA H 39 3.473 3.473 3.960 -0.487 18282 3890 1 7 . 1 1 38 38 LYS C C 39 176.361 176.361 179.201 -2.840 18282 3891 1 7 . 1 1 38 38 LYS CA C 39 59.519 59.519 59.263 0.256 18282 3892 1 7 . 1 1 38 38 LYS CB C 39 31.628 31.628 31.938 -0.310 18282 3893 1 7 . 1 1 38 38 LYS H H 39 7.581 7.581 7.882 -0.301 18282 3894 1 7 . 1 1 39 39 ASP N N 40 116.210 116.210 119.954 -3.744 18282 3895 1 7 . 1 1 39 39 ASP HA H 40 4.261 4.261 4.473 -0.212 18282 3896 1 7 . 1 1 39 39 ASP CA C 40 56.580 56.580 57.108 -0.528 18282 3897 1 7 . 1 1 39 39 ASP CB C 40 40.977 40.977 40.870 0.107 18282 3898 1 7 . 1 1 39 39 ASP H H 40 8.052 8.052 8.199 -0.147 18282 3899 1 7 . 1 1 40 40 THR N N 41 109.215 109.215 107.445 1.770 18282 3900 1 7 . 1 1 40 40 THR C C 41 174.559 174.559 174.871 -0.312 18282 3901 1 7 . 1 1 40 40 THR H H 41 7.232 7.232 7.599 -0.367 18282 3902 1 7 . 1 1 41 41 CYS N N 42 117.927 117.927 121.345 -3.418 18282 3903 1 7 . 1 1 41 41 CYS CA C 42 55.865 55.865 59.913 -4.048 18282 3904 1 7 . 1 1 41 41 CYS CB C 42 28.500 28.500 26.442 2.058 18282 3905 1 7 . 1 1 41 41 CYS H H 42 7.197 7.197 8.488 -1.291 18282 3906 1 7 . 1 1 42 42 PRO HA H 43 3.987 3.987 4.383 -0.396 18282 3907 1 7 . 1 1 42 42 PRO C C 43 176.688 176.688 176.185 0.503 18282 3908 1 7 . 1 1 42 42 PRO CA C 43 65.206 65.206 63.940 1.266 18282 3909 1 7 . 1 1 42 42 PRO CB C 43 30.767 30.767 32.149 -1.382 18282 3910 1 7 . 1 1 43 43 TRP N N 44 113.805 113.805 118.406 -4.601 18282 3911 1 7 . 1 1 43 43 TRP HA H 44 4.361 4.361 4.649 -0.288 18282 3912 1 7 . 1 1 43 43 TRP C C 44 176.982 176.982 176.109 0.873 18282 3913 1 7 . 1 1 43 43 TRP CA C 44 61.758 61.758 57.110 4.648 18282 3914 1 7 . 1 1 43 43 TRP CB C 44 27.771 27.771 28.525 -0.754 18282 3915 1 7 . 1 1 43 43 TRP H H 44 6.632 6.632 8.057 -1.425 18282 3916 1 7 . 1 1 44 44 PHE N N 45 123.019 123.019 118.936 4.083 18282 3917 1 7 . 1 1 44 44 PHE HA H 45 4.043 4.043 4.144 -0.101 18282 3918 1 7 . 1 1 44 44 PHE CA C 45 62.990 62.990 57.698 5.292 18282 3919 1 7 . 1 1 44 44 PHE CB C 45 35.109 35.109 37.585 -2.476 18282 3920 1 7 . 1 1 44 44 PHE H H 45 7.302 7.302 7.683 -0.381 18282 3921 1 7 . 1 1 45 45 PRO HA H 46 4.015 4.015 4.167 -0.152 18282 3922 1 7 . 1 1 45 45 PRO C C 46 176.462 176.462 176.836 -0.374 18282 3923 1 7 . 1 1 45 45 PRO CA C 46 64.582 64.582 63.944 0.638 18282 3924 1 7 . 1 1 45 45 PRO CB C 46 30.254 30.254 31.479 -1.225 18282 3925 1 7 . 1 1 46 46 GLN N N 47 114.404 114.404 117.312 -2.908 18282 3926 1 7 . 1 1 46 46 GLN HA H 47 3.941 3.941 3.717 0.224 18282 3927 1 7 . 1 1 46 46 GLN C C 47 177.234 177.234 176.900 0.334 18282 3928 1 7 . 1 1 46 46 GLN CA C 47 58.328 58.328 58.202 0.126 18282 3929 1 7 . 1 1 46 46 GLN CB C 47 28.471 28.471 27.546 0.926 18282 3930 1 7 . 1 1 46 46 GLN H H 47 6.544 6.544 7.778 -1.234 18282 3931 1 7 . 1 1 47 47 GLU N N 48 117.356 117.356 116.826 0.530 18282 3932 1 7 . 1 1 47 47 GLU HA H 48 4.085 4.085 4.282 -0.197 18282 3933 1 7 . 1 1 47 47 GLU C C 48 179.130 179.130 176.992 2.138 18282 3934 1 7 . 1 1 47 47 GLU CA C 48 58.215 58.215 55.931 2.284 18282 3935 1 7 . 1 1 47 47 GLU CB C 48 29.247 29.247 31.082 -1.835 18282 3936 1 7 . 1 1 47 47 GLU H H 48 7.710 7.710 7.278 0.432 18282 3937 1 7 . 1 1 48 48 GLY N N 49 105.456 105.456 108.580 -3.124 18282 3938 1 7 . 1 1 48 48 GLY C C 49 171.006 171.006 174.192 -3.186 18282 3939 1 7 . 1 1 48 48 GLY CA C 49 47.085 47.085 45.502 1.583 18282 3940 1 7 . 1 1 48 48 GLY H H 49 7.296 7.296 7.616 -0.320 18282 3941 1 7 . 1 1 49 49 THR N N 50 114.015 114.015 113.937 0.078 18282 3942 1 7 . 1 1 49 49 THR HA H 50 4.248 4.248 4.535 -0.287 18282 3943 1 7 . 1 1 49 49 THR CA C 50 61.830 61.830 59.710 2.120 18282 3944 1 7 . 1 1 49 49 THR CB C 50 70.692 70.692 71.423 -0.731 18282 3945 1 7 . 1 1 49 49 THR H H 50 7.599 7.599 7.533 0.066 18282 3946 1 7 . 1 1 50 50 ILE HA H 51 4.135 4.135 4.561 -0.426 18282 3947 1 7 . 1 1 50 50 ILE C C 51 172.608 172.608 174.820 -2.212 18282 3948 1 7 . 1 1 50 50 ILE CA C 51 59.075 59.075 61.608 -2.533 18282 3949 1 7 . 1 1 50 50 ILE CB C 51 35.416 35.416 38.869 -3.453 18282 3950 1 7 . 1 1 51 51 ASP N N 52 121.859 121.859 126.630 -4.771 18282 3951 1 7 . 1 1 51 51 ASP HA H 52 4.625 4.625 4.884 -0.259 18282 3952 1 7 . 1 1 51 51 ASP C C 52 175.770 175.770 175.436 0.334 18282 3953 1 7 . 1 1 51 51 ASP CA C 52 51.634 51.634 52.938 -1.304 18282 3954 1 7 . 1 1 51 51 ASP CB C 52 42.528 42.528 42.795 -0.267 18282 3955 1 7 . 1 1 51 51 ASP H H 52 7.176 7.176 9.122 -1.946 18282 3956 1 7 . 1 1 52 52 ILE N N 53 119.549 119.549 125.105 -5.556 18282 3957 1 7 . 1 1 52 52 ILE HA H 53 4.150 4.150 4.279 -0.129 18282 3958 1 7 . 1 1 52 52 ILE C C 53 176.961 176.961 177.597 -0.636 18282 3959 1 7 . 1 1 52 52 ILE CA C 53 61.899 61.899 62.645 -0.746 18282 3960 1 7 . 1 1 52 52 ILE CB C 53 37.700 37.700 38.482 -0.782 18282 3961 1 7 . 1 1 52 52 ILE H H 53 8.777 8.777 8.738 0.039 18282 3962 1 7 . 1 1 53 53 LYS N N 54 123.515 123.515 121.955 1.560 18282 3963 1 7 . 1 1 53 53 LYS HA H 54 4.116 4.116 3.982 0.134 18282 3964 1 7 . 1 1 53 53 LYS C C 54 180.448 180.448 179.082 1.366 18282 3965 1 7 . 1 1 53 53 LYS CA C 54 59.934 59.934 59.789 0.145 18282 3966 1 7 . 1 1 53 53 LYS CB C 54 31.875 31.875 32.243 -0.368 18282 3967 1 7 . 1 1 53 53 LYS H H 54 8.106 8.106 8.149 -0.043 18282 3968 1 7 . 1 1 54 54 ARG N N 55 120.371 120.371 117.599 2.772 18282 3969 1 7 . 1 1 54 54 ARG HA H 55 4.422 4.422 4.005 0.417 18282 3970 1 7 . 1 1 54 54 ARG C C 55 179.159 179.159 177.871 1.288 18282 3971 1 7 . 1 1 54 54 ARG CA C 55 59.726 59.726 58.704 1.022 18282 3972 1 7 . 1 1 54 54 ARG CB C 55 37.368 37.368 29.550 7.817 18282 3973 1 7 . 1 1 54 54 ARG H H 55 9.183 9.183 8.863 0.320 18282 3974 1 7 . 1 1 55 55 TRP N N 56 120.755 120.755 121.211 -0.456 18282 3975 1 7 . 1 1 55 55 TRP HA H 56 4.747 4.747 3.813 0.934 18282 3976 1 7 . 1 1 55 55 TRP C C 56 179.954 179.954 177.591 2.363 18282 3977 1 7 . 1 1 55 55 TRP CA C 56 60.105 60.105 59.534 0.571 18282 3978 1 7 . 1 1 55 55 TRP CB C 56 29.997 29.997 29.008 0.989 18282 3979 1 7 . 1 1 55 55 TRP H H 56 8.927 8.927 7.692 1.235 18282 3980 1 7 . 1 1 56 56 ARG N N 57 122.194 122.194 118.148 4.046 18282 3981 1 7 . 1 1 56 56 ARG HA H 57 4.406 4.406 3.483 0.923 18282 3982 1 7 . 1 1 56 56 ARG C C 57 178.101 178.101 178.599 -0.498 18282 3983 1 7 . 1 1 56 56 ARG CA C 57 60.198 60.198 59.709 0.489 18282 3984 1 7 . 1 1 56 56 ARG CB C 57 29.585 29.585 29.696 -0.111 18282 3985 1 7 . 1 1 56 56 ARG H H 57 9.220 9.220 7.449 1.771 18282 3986 1 7 . 1 1 57 57 ARG N N 58 120.674 120.674 119.199 1.475 18282 3987 1 7 . 1 1 57 57 ARG HA H 58 4.186 4.186 3.960 0.226 18282 3988 1 7 . 1 1 57 57 ARG C C 58 179.445 179.445 178.403 1.042 18282 3989 1 7 . 1 1 57 57 ARG CA C 58 59.832 59.832 58.829 1.003 18282 3990 1 7 . 1 1 57 57 ARG CB C 58 29.753 29.753 29.613 0.140 18282 3991 1 7 . 1 1 57 57 ARG H H 58 7.605 7.605 7.383 0.222 18282 3992 1 7 . 1 1 58 58 VAL N N 59 121.833 121.833 119.066 2.767 18282 3993 1 7 . 1 1 58 58 VAL HA H 59 3.675 3.675 3.802 -0.127 18282 3994 1 7 . 1 1 58 58 VAL C C 59 176.565 176.565 177.460 -0.895 18282 3995 1 7 . 1 1 58 58 VAL CA C 59 65.920 65.920 65.432 0.488 18282 3996 1 7 . 1 1 58 58 VAL CB C 59 30.785 30.785 31.012 -0.227 18282 3997 1 7 . 1 1 58 58 VAL H H 59 7.819 7.819 7.627 0.192 18282 3998 1 7 . 1 1 59 59 GLY N N 60 106.521 106.521 107.955 -1.434 18282 3999 1 7 . 1 1 59 59 GLY C C 60 175.923 175.923 175.714 0.209 18282 4000 1 7 . 1 1 59 59 GLY CA C 60 45.982 45.982 46.948 -0.966 18282 4001 1 7 . 1 1 59 59 GLY H H 60 7.540 7.540 7.867 -0.327 18282 4002 1 7 . 1 1 60 60 ASP N N 61 123.066 123.066 122.706 0.360 18282 4003 1 7 . 1 1 60 60 ASP HA H 61 4.261 4.261 4.450 -0.189 18282 4004 1 7 . 1 1 60 60 ASP C C 61 178.537 178.537 178.720 -0.183 18282 4005 1 7 . 1 1 60 60 ASP CA C 61 56.907 56.907 57.006 -0.099 18282 4006 1 7 . 1 1 60 60 ASP CB C 61 39.654 39.654 40.352 -0.698 18282 4007 1 7 . 1 1 60 60 ASP H H 61 8.197 8.197 8.308 -0.111 18282 4008 1 7 . 1 1 61 61 CYS N N 62 121.005 121.005 118.794 2.211 18282 4009 1 7 . 1 1 61 61 CYS C C 62 177.083 177.083 177.388 -0.305 18282 4010 1 7 . 1 1 61 61 CYS CA C 62 62.380 62.380 64.224 -1.844 18282 4011 1 7 . 1 1 61 61 CYS CB C 62 26.011 26.011 27.674 -1.663 18282 4012 1 7 . 1 1 61 61 CYS H H 62 7.858 7.858 7.887 -0.029 18282 4013 1 7 . 1 1 62 62 PHE N N 63 119.362 119.362 119.388 -0.026 18282 4014 1 7 . 1 1 62 62 PHE HA H 63 4.117 4.117 4.207 -0.090 18282 4015 1 7 . 1 1 62 62 PHE C C 63 178.081 178.081 177.976 0.105 18282 4016 1 7 . 1 1 62 62 PHE CA C 63 57.843 57.843 61.601 -3.758 18282 4017 1 7 . 1 1 62 62 PHE CB C 63 36.605 36.605 38.337 -1.732 18282 4018 1 7 . 1 1 62 62 PHE H H 63 8.530 8.530 8.546 -0.016 18282 4019 1 7 . 1 1 63 63 GLN N N 64 118.829 118.829 119.682 -0.853 18282 4020 1 7 . 1 1 63 63 GLN HA H 64 4.199 4.199 4.047 0.152 18282 4021 1 7 . 1 1 63 63 GLN C C 64 177.645 177.645 177.704 -0.059 18282 4022 1 7 . 1 1 63 63 GLN CA C 64 59.094 59.094 59.271 -0.177 18282 4023 1 7 . 1 1 63 63 GLN CB C 64 28.337 28.337 27.983 0.354 18282 4024 1 7 . 1 1 63 63 GLN H H 64 8.236 8.236 8.385 -0.149 18282 4025 1 7 . 1 1 64 64 ASP N N 65 120.234 120.234 120.083 0.151 18282 4026 1 7 . 1 1 64 64 ASP HA H 65 4.481 4.481 4.314 0.167 18282 4027 1 7 . 1 1 64 64 ASP CA C 65 57.301 57.301 57.290 0.011 18282 4028 1 7 . 1 1 64 64 ASP CB C 65 40.773 40.773 40.707 0.066 18282 4029 1 7 . 1 1 64 64 ASP H H 65 8.257 8.257 7.757 0.500 18282 4030 1 7 . 1 1 65 65 TYR HA H 66 4.598 4.598 3.901 0.697 18282 4031 1 7 . 1 1 65 65 TYR C C 66 178.524 178.524 177.723 0.801 18282 4032 1 7 . 1 1 65 65 TYR CA C 66 60.355 60.355 61.228 -0.873 18282 4033 1 7 . 1 1 65 65 TYR CB C 66 37.796 37.796 38.200 -0.404 18282 4034 1 7 . 1 1 66 66 TYR N N 67 122.741 122.741 120.308 2.433 18282 4035 1 7 . 1 1 66 66 TYR HA H 67 4.044 4.044 4.262 -0.218 18282 4036 1 7 . 1 1 66 66 TYR C C 67 178.220 178.220 177.387 0.833 18282 4037 1 7 . 1 1 66 66 TYR CA C 67 61.726 61.726 61.589 0.137 18282 4038 1 7 . 1 1 66 66 TYR CB C 67 38.932 38.932 38.702 0.230 18282 4039 1 7 . 1 1 66 66 TYR H H 67 9.083 9.083 8.531 0.552 18282 4040 1 7 . 1 1 67 67 ASN N N 68 118.530 118.530 116.617 1.913 18282 4041 1 7 . 1 1 67 67 ASN HA H 68 4.378 4.378 4.251 0.127 18282 4042 1 7 . 1 1 67 67 ASN C C 68 176.633 176.633 177.382 -0.749 18282 4043 1 7 . 1 1 67 67 ASN CA C 68 55.293 55.293 55.780 -0.487 18282 4044 1 7 . 1 1 67 67 ASN CB C 68 37.860 37.860 38.164 -0.304 18282 4045 1 7 . 1 1 67 67 ASN H H 68 8.796 8.796 7.902 0.894 18282 4046 1 7 . 1 1 68 68 THR N N 69 114.328 114.328 112.817 1.511 18282 4047 1 7 . 1 1 68 68 THR HA H 69 3.872 3.872 3.822 0.050 18282 4048 1 7 . 1 1 68 68 THR C C 69 174.832 174.832 175.935 -1.103 18282 4049 1 7 . 1 1 68 68 THR CA C 69 65.224 65.224 64.909 0.315 18282 4050 1 7 . 1 1 68 68 THR CB C 69 69.484 69.484 68.384 1.100 18282 4051 1 7 . 1 1 68 68 THR H H 69 7.960 7.960 7.298 0.662 18282 4052 1 7 . 1 1 69 69 PHE N N 70 118.107 118.107 121.345 -3.238 18282 4053 1 7 . 1 1 69 69 PHE HA H 70 4.626 4.626 4.397 0.229 18282 4054 1 7 . 1 1 69 69 PHE C C 70 176.495 176.495 176.724 -0.229 18282 4055 1 7 . 1 1 69 69 PHE CA C 70 58.409 58.409 58.558 -0.149 18282 4056 1 7 . 1 1 69 69 PHE CB C 70 40.742 40.742 38.816 1.926 18282 4057 1 7 . 1 1 69 69 PHE H H 70 8.591 8.591 6.976 1.615 18282 4058 1 7 . 1 1 70 70 GLY N N 71 109.309 109.309 106.510 2.799 18282 4059 1 7 . 1 1 70 70 GLY CA C 71 44.684 44.684 44.192 0.492 18282 4060 1 7 . 1 1 70 70 GLY H H 71 7.893 7.893 7.471 0.422 18282 4061 1 7 . 1 1 71 71 PRO HA H 72 4.691 4.691 4.450 0.241 18282 4062 1 7 . 1 1 71 71 PRO C C 72 177.772 177.772 176.874 0.898 18282 4063 1 7 . 1 1 71 71 PRO CA C 72 63.458 63.458 62.536 0.922 18282 4064 1 7 . 1 1 71 71 PRO CB C 72 31.823 31.823 32.360 -0.537 18282 4065 1 7 . 1 1 72 72 GLU N N 73 117.421 117.421 125.981 -8.560 18282 4066 1 7 . 1 1 72 72 GLU HA H 73 4.061 4.061 4.079 -0.018 18282 4067 1 7 . 1 1 72 72 GLU C C 73 177.236 177.236 176.975 0.261 18282 4068 1 7 . 1 1 72 72 GLU CA C 73 58.570 58.570 58.483 0.086 18282 4069 1 7 . 1 1 72 72 GLU CB C 73 28.853 28.853 30.070 -1.217 18282 4070 1 7 . 1 1 72 72 GLU H H 73 8.595 8.595 8.989 -0.394 18282 4071 1 7 . 1 1 73 73 LYS N N 74 116.846 116.846 116.917 -0.071 18282 4072 1 7 . 1 1 73 73 LYS HA H 74 4.381 4.381 4.420 -0.039 18282 4073 1 7 . 1 1 73 73 LYS C C 74 175.662 175.662 175.764 -0.102 18282 4074 1 7 . 1 1 73 73 LYS CA C 74 55.263 55.263 56.171 -0.908 18282 4075 1 7 . 1 1 73 73 LYS CB C 74 33.891 33.891 32.385 1.506 18282 4076 1 7 . 1 1 73 73 LYS H H 74 7.493 7.493 8.345 -0.852 18282 4077 1 7 . 1 1 74 74 VAL N N 75 118.056 118.056 120.550 -2.494 18282 4078 1 7 . 1 1 74 74 VAL HA H 75 4.423 4.423 4.091 0.332 18282 4079 1 7 . 1 1 74 74 VAL CA C 75 58.438 58.438 62.143 -3.705 18282 4080 1 7 . 1 1 74 74 VAL CB C 75 33.763 33.763 31.373 2.389 18282 4081 1 7 . 1 1 74 74 VAL H H 75 7.342 7.342 8.140 -0.798 18282 4082 1 7 . 1 1 75 75 PRO HA H 76 4.585 4.585 4.482 0.103 18282 4083 1 7 . 1 1 75 75 PRO C C 76 178.543 178.543 177.369 1.174 18282 4084 1 7 . 1 1 75 75 PRO CA C 76 61.911 61.911 63.036 -1.125 18282 4085 1 7 . 1 1 75 75 PRO CB C 76 32.035 32.035 32.429 -0.394 18282 4086 1 7 . 1 1 76 76 VAL N N 77 119.825 119.825 126.068 -6.243 18282 4087 1 7 . 1 1 76 76 VAL HA H 77 3.921 3.921 3.910 0.011 18282 4088 1 7 . 1 1 76 76 VAL CA C 77 65.316 65.316 64.774 0.542 18282 4089 1 7 . 1 1 76 76 VAL CB C 77 31.316 31.316 31.301 0.015 18282 4090 1 7 . 1 1 76 76 VAL H H 77 8.604 8.604 8.487 0.117 18282 4091 1 7 . 1 1 77 77 THR N N 78 109.390 109.390 113.081 -3.691 18282 4092 1 7 . 1 1 77 77 THR HA H 78 3.914 3.914 4.117 -0.203 18282 4093 1 7 . 1 1 77 77 THR C C 78 175.732 175.732 176.087 -0.355 18282 4094 1 7 . 1 1 77 77 THR CA C 78 62.803 62.803 65.563 -2.760 18282 4095 1 7 . 1 1 77 77 THR CB C 78 68.357 68.357 68.522 -0.165 18282 4096 1 7 . 1 1 77 77 THR H H 78 7.380 7.380 8.343 -0.963 18282 4097 1 7 . 1 1 78 78 ALA N N 79 123.661 123.661 124.353 -0.692 18282 4098 1 7 . 1 1 78 78 ALA HA H 79 4.001 4.001 4.416 -0.415 18282 4099 1 7 . 1 1 78 78 ALA C C 79 179.527 179.527 179.643 -0.116 18282 4100 1 7 . 1 1 78 78 ALA CA C 79 55.091 55.091 54.987 0.103 18282 4101 1 7 . 1 1 78 78 ALA CB C 79 17.561 17.561 18.682 -1.121 18282 4102 1 7 . 1 1 78 78 ALA H H 79 7.811 7.811 7.719 0.092 18282 4103 1 7 . 1 1 79 79 PHE N N 80 114.258 114.258 118.437 -4.179 18282 4104 1 7 . 1 1 79 79 PHE HA H 80 4.452 4.452 4.502 -0.050 18282 4105 1 7 . 1 1 79 79 PHE C C 80 178.586 178.586 177.897 0.689 18282 4106 1 7 . 1 1 79 79 PHE CA C 80 61.656 61.656 60.014 1.642 18282 4107 1 7 . 1 1 79 79 PHE CB C 80 37.694 37.694 38.669 -0.975 18282 4108 1 7 . 1 1 79 79 PHE H H 80 7.306 7.306 9.164 -1.858 18282 4109 1 7 . 1 1 80 80 SER N N 81 116.865 116.865 116.503 0.362 18282 4110 1 7 . 1 1 80 80 SER CA C 81 61.824 61.824 62.157 -0.333 18282 4111 1 7 . 1 1 80 80 SER H H 81 7.733 7.733 8.044 -0.311 18282 4112 1 7 . 1 1 81 81 TYR N N 82 121.932 121.932 122.346 -0.414 18282 4113 1 7 . 1 1 81 81 TYR HA H 82 4.133 4.133 4.208 -0.075 18282 4114 1 7 . 1 1 81 81 TYR C C 82 177.701 177.701 177.689 0.012 18282 4115 1 7 . 1 1 81 81 TYR CA C 82 60.027 60.027 61.592 -1.565 18282 4116 1 7 . 1 1 81 81 TYR CB C 82 34.104 34.104 38.253 -4.149 18282 4117 1 7 . 1 1 81 81 TYR H H 82 8.151 8.151 7.548 0.603 18282 4118 1 7 . 1 1 82 82 TRP N N 83 120.817 120.817 120.235 0.582 18282 4119 1 7 . 1 1 82 82 TRP HA H 83 4.436 4.436 4.246 0.190 18282 4120 1 7 . 1 1 82 82 TRP CA C 83 63.975 63.975 61.043 2.932 18282 4121 1 7 . 1 1 82 82 TRP CB C 83 28.557 28.557 29.424 -0.867 18282 4122 1 7 . 1 1 82 82 TRP H H 83 8.645 8.645 8.171 0.474 18282 4123 1 7 . 1 1 83 83 ASN HA H 84 4.230 4.230 3.751 0.479 18282 4124 1 7 . 1 1 83 83 ASN C C 84 176.140 176.140 177.619 -1.479 18282 4125 1 7 . 1 1 83 83 ASN CA C 84 56.683 56.683 55.932 0.750 18282 4126 1 7 . 1 1 83 83 ASN CB C 84 39.116 39.116 37.745 1.371 18282 4127 1 7 . 1 1 84 84 LEU N N 85 121.884 121.884 121.965 -0.081 18282 4128 1 7 . 1 1 84 84 LEU HA H 85 4.054 4.054 4.084 -0.030 18282 4129 1 7 . 1 1 84 84 LEU C C 85 178.369 178.369 178.395 -0.026 18282 4130 1 7 . 1 1 84 84 LEU CA C 85 58.228 58.228 57.754 0.474 18282 4131 1 7 . 1 1 84 84 LEU CB C 85 41.576 41.576 41.907 -0.331 18282 4132 1 7 . 1 1 84 84 LEU H H 85 7.751 7.751 8.008 -0.257 18282 4133 1 7 . 1 1 85 85 ILE N N 86 116.825 116.825 119.152 -2.327 18282 4134 1 7 . 1 1 85 85 ILE HA H 86 3.462 3.462 3.598 -0.136 18282 4135 1 7 . 1 1 85 85 ILE C C 86 176.809 176.809 177.895 -1.086 18282 4136 1 7 . 1 1 85 85 ILE CA C 86 61.345 61.345 65.537 -4.192 18282 4137 1 7 . 1 1 85 85 ILE CB C 86 34.099 34.099 37.758 -3.659 18282 4138 1 7 . 1 1 85 85 ILE H H 86 7.952 7.952 8.630 -0.678 18282 4139 1 7 . 1 1 86 86 LYS N N 87 121.846 121.846 120.162 1.684 18282 4140 1 7 . 1 1 86 86 LYS HA H 87 3.231 3.231 3.886 -0.655 18282 4141 1 7 . 1 1 86 86 LYS C C 87 177.221 177.221 178.410 -1.189 18282 4142 1 7 . 1 1 86 86 LYS CA C 87 60.033 60.033 59.783 0.250 18282 4143 1 7 . 1 1 86 86 LYS CB C 87 31.005 31.005 31.834 -0.829 18282 4144 1 7 . 1 1 86 86 LYS H H 87 7.876 7.876 7.817 0.059 18282 4145 1 7 . 1 1 87 87 GLU N N 88 116.331 116.331 119.313 -2.982 18282 4146 1 7 . 1 1 87 87 GLU HA H 88 3.861 3.861 4.102 -0.241 18282 4147 1 7 . 1 1 87 87 GLU C C 88 178.810 178.810 178.743 0.067 18282 4148 1 7 . 1 1 87 87 GLU CA C 88 58.949 58.949 58.260 0.689 18282 4149 1 7 . 1 1 87 87 GLU CB C 88 29.221 29.221 28.941 0.280 18282 4150 1 7 . 1 1 87 87 GLU H H 88 7.679 7.679 7.560 0.119 18282 4151 1 7 . 1 1 88 88 LEU N N 89 118.090 118.090 121.197 -3.107 18282 4152 1 7 . 1 1 88 88 LEU HA H 89 3.909 3.909 4.049 -0.140 18282 4153 1 7 . 1 1 88 88 LEU CA C 89 57.688 57.688 58.053 -0.365 18282 4154 1 7 . 1 1 88 88 LEU CB C 89 41.436 41.436 42.042 -0.606 18282 4155 1 7 . 1 1 88 88 LEU H H 89 7.441 7.441 8.077 -0.636 18282 4156 1 7 . 1 1 89 89 ILE HA H 90 3.344 3.344 3.711 -0.367 18282 4157 1 7 . 1 1 89 89 ILE CA C 90 65.082 65.082 64.932 0.150 18282 4158 1 7 . 1 1 89 89 ILE CB C 90 37.556 37.556 37.785 -0.229 18282 4159 1 7 . 1 1 90 90 ASP HA H 91 3.894 3.894 4.367 -0.473 18282 4160 1 7 . 1 1 90 90 ASP CA C 91 57.678 57.678 55.864 1.814 18282 4161 1 7 . 1 1 90 90 ASP CB C 91 40.546 40.546 41.093 -0.547 18282 4162 1 7 . 1 1 91 91 LYS N N 92 119.422 119.422 119.162 0.260 18282 4163 1 7 . 1 1 91 91 LYS CA C 92 54.600 54.600 56.102 -1.502 18282 4164 1 7 . 1 1 91 91 LYS CB C 92 32.014 32.014 32.843 -0.829 18282 4165 1 7 . 1 1 91 91 LYS H H 92 7.903 7.903 7.631 0.272 18282 4166 1 7 . 1 1 92 92 LYS HA H 93 4.541 4.541 4.123 0.418 18282 4167 1 7 . 1 1 92 92 LYS CA C 93 55.202 55.202 58.103 -2.901 18282 4168 1 7 . 1 1 92 92 LYS CB C 93 31.758 31.758 32.456 -0.698 18282 4169 1 7 . 1 1 93 93 GLU N N 94 115.922 115.922 118.898 -2.976 18282 4170 1 7 . 1 1 93 93 GLU HA H 94 4.283 4.283 4.275 0.008 18282 4171 1 7 . 1 1 93 93 GLU C C 94 175.613 175.613 175.705 -0.092 18282 4172 1 7 . 1 1 93 93 GLU CA C 94 56.296 56.296 56.107 0.189 18282 4173 1 7 . 1 1 93 93 GLU CB C 94 29.415 29.415 27.383 2.032 18282 4174 1 7 . 1 1 93 93 GLU H H 94 8.140 8.140 8.298 -0.158 18282 4175 1 7 . 1 1 94 94 VAL N N 95 121.304 121.304 116.958 4.346 18282 4176 1 7 . 1 1 94 94 VAL HA H 95 3.773 3.773 4.353 -0.580 18282 4177 1 7 . 1 1 94 94 VAL CA C 95 62.257 62.257 60.595 1.662 18282 4178 1 7 . 1 1 94 94 VAL CB C 95 32.047 32.047 33.232 -1.185 18282 4179 1 7 . 1 1 94 94 VAL H H 95 8.003 8.003 7.812 0.191 18282 4180 1 7 . 1 1 95 95 ASN H H 96 7.518 7.518 8.594 -1.076 18282 4181 1 7 . 1 1 96 96 PRO HA H 97 4.319 4.319 4.210 0.109 18282 4182 1 7 . 1 1 96 96 PRO C C 97 179.088 179.088 177.966 1.122 18282 4183 1 7 . 1 1 96 96 PRO CA C 97 64.963 64.963 64.523 0.440 18282 4184 1 7 . 1 1 96 96 PRO CB C 97 32.035 32.035 31.717 0.318 18282 4185 1 7 . 1 1 97 97 GLN N N 98 117.793 117.793 117.371 0.422 18282 4186 1 7 . 1 1 97 97 GLN HA H 98 3.952 3.952 4.223 -0.271 18282 4187 1 7 . 1 1 97 97 GLN C C 98 179.272 179.272 177.573 1.699 18282 4188 1 7 . 1 1 97 97 GLN CA C 98 55.691 55.691 58.547 -2.856 18282 4189 1 7 . 1 1 97 97 GLN CB C 98 28.378 28.378 27.217 1.161 18282 4190 1 7 . 1 1 97 97 GLN H H 98 8.351 8.351 8.207 0.144 18282 4191 1 7 . 1 1 98 98 VAL N N 99 121.247 121.247 120.293 0.954 18282 4192 1 7 . 1 1 98 98 VAL HA H 99 3.440 3.440 3.881 -0.441 18282 4193 1 7 . 1 1 98 98 VAL CA C 99 67.776 67.776 65.698 2.078 18282 4194 1 7 . 1 1 98 98 VAL CB C 99 31.574 31.574 31.497 0.077 18282 4195 1 7 . 1 1 98 98 VAL H H 99 7.901 7.901 7.602 0.299 18282 4196 1 7 . 1 1 100 100 ALA HA H 101 4.218 4.218 4.148 0.070 18282 4197 1 7 . 1 1 100 100 ALA C C 101 179.599 179.599 179.528 0.071 18282 4198 1 7 . 1 1 100 100 ALA CA C 101 54.685 54.685 54.862 -0.177 18282 4199 1 7 . 1 1 100 100 ALA CB C 101 17.562 17.562 17.953 -0.391 18282 4200 1 7 . 1 1 101 101 ALA N N 102 119.533 119.533 121.195 -1.662 18282 4201 1 7 . 1 1 101 101 ALA HA H 102 4.005 4.005 4.261 -0.256 18282 4202 1 7 . 1 1 101 101 ALA C C 102 180.970 180.970 179.209 1.761 18282 4203 1 7 . 1 1 101 101 ALA CA C 102 55.013 55.013 54.184 0.830 18282 4204 1 7 . 1 1 101 101 ALA CB C 102 17.422 17.422 18.302 -0.880 18282 4205 1 7 . 1 1 101 101 ALA H H 102 7.559 7.559 7.719 -0.160 18282 4206 1 7 . 1 1 102 102 VAL N N 103 122.669 122.669 119.831 2.838 18282 4207 1 7 . 1 1 102 102 VAL HA H 103 4.087 4.087 3.683 0.404 18282 4208 1 7 . 1 1 102 102 VAL C C 103 175.666 175.666 177.448 -1.782 18282 4209 1 7 . 1 1 102 102 VAL CA C 103 61.850 61.850 64.983 -3.133 18282 4210 1 7 . 1 1 102 102 VAL CB C 103 32.576 32.576 31.105 1.471 18282 4211 1 7 . 1 1 102 102 VAL H H 103 8.851 8.851 7.900 0.951 18282 4212 1 7 . 1 1 103 103 ALA N N 104 128.048 128.048 121.961 6.087 18282 4213 1 7 . 1 1 103 103 ALA HA H 104 4.288 4.288 3.954 0.335 18282 4214 1 7 . 1 1 103 103 ALA C C 104 177.344 177.344 178.872 -1.528 18282 4215 1 7 . 1 1 103 103 ALA CA C 104 52.194 52.194 54.568 -2.374 18282 4216 1 7 . 1 1 103 103 ALA CB C 104 19.021 19.021 18.469 0.552 18282 4217 1 7 . 1 1 103 103 ALA H H 104 8.374 8.374 7.666 0.708 18282 4218 1 7 . 1 1 104 104 GLN N N 105 120.285 120.285 117.086 3.199 18282 4219 1 7 . 1 1 104 104 GLN HA H 105 4.281 4.281 4.156 0.125 18282 4220 1 7 . 1 1 104 104 GLN CA C 105 55.656 55.656 57.410 -1.754 18282 4221 1 7 . 1 1 104 104 GLN CB C 105 32.581 32.581 29.186 3.395 18282 4222 1 7 . 1 1 104 104 GLN H H 105 8.374 8.374 7.696 0.678 18282 4223 1 7 . 1 1 105 105 THR HA H 106 4.293 4.293 4.504 -0.211 18282 4224 1 7 . 1 1 105 105 THR C C 106 174.384 174.384 173.148 1.236 18282 4225 1 7 . 1 1 105 105 THR CA C 106 61.663 61.663 61.068 0.595 18282 4226 1 7 . 1 1 105 105 THR CB C 106 69.458 69.458 70.682 -1.224 18282 4227 1 7 . 1 1 106 106 GLU N N 107 122.744 122.744 119.798 2.946 18282 4228 1 7 . 1 1 106 106 GLU HA H 107 4.241 4.241 4.482 -0.241 18282 4229 1 7 . 1 1 106 106 GLU C C 107 176.331 176.331 175.553 0.778 18282 4230 1 7 . 1 1 106 106 GLU CA C 107 56.621 56.621 54.847 1.774 18282 4231 1 7 . 1 1 106 106 GLU CB C 107 30.004 30.004 32.057 -2.053 18282 4232 1 7 . 1 1 106 106 GLU H H 107 8.415 8.415 8.337 0.078 18282 4233 1 7 . 1 1 107 107 GLU N N 108 121.993 121.993 121.507 0.486 18282 4234 1 7 . 1 1 107 107 GLU HA H 108 4.184 4.184 4.705 -0.521 18282 4235 1 7 . 1 1 107 107 GLU C C 108 176.404 176.404 177.795 -1.391 18282 4236 1 7 . 1 1 107 107 GLU CA C 108 56.721 56.721 55.334 1.387 18282 4237 1 7 . 1 1 107 107 GLU CB C 108 29.770 29.770 30.472 -0.702 18282 4238 1 7 . 1 1 107 107 GLU H H 108 8.334 8.334 8.760 -0.426 18282 4239 1 7 . 1 1 108 108 ILE N N 109 122.204 122.204 121.344 0.860 18282 4240 1 7 . 1 1 108 108 ILE HA H 109 4.052 4.052 3.753 0.299 18282 4241 1 7 . 1 1 108 108 ILE C C 109 176.261 176.261 177.043 -0.782 18282 4242 1 7 . 1 1 108 108 ILE CA C 109 61.245 61.245 63.563 -2.318 18282 4243 1 7 . 1 1 108 108 ILE CB C 109 38.157 38.157 37.691 0.466 18282 4244 1 7 . 1 1 108 108 ILE H H 109 8.068 8.068 8.915 -0.847 18282 4245 1 7 . 1 1 109 109 LEU N N 110 125.608 125.608 120.901 4.707 18282 4246 1 7 . 1 1 109 109 LEU HA H 110 4.295 4.295 3.940 0.355 18282 4247 1 7 . 1 1 109 109 LEU C C 110 177.275 177.275 178.938 -1.663 18282 4248 1 7 . 1 1 109 109 LEU CA C 110 55.103 55.103 57.607 -2.504 18282 4249 1 7 . 1 1 109 109 LEU CB C 110 41.929 41.929 41.462 0.467 18282 4250 1 7 . 1 1 109 109 LEU H H 110 8.187 8.187 7.623 0.564 18282 4251 1 7 . 1 1 110 110 LYS N N 111 122.154 122.154 119.128 3.026 18282 4252 1 7 . 1 1 110 110 LYS HA H 111 4.278 4.278 4.283 -0.005 18282 4253 1 7 . 1 1 110 110 LYS C C 111 176.606 176.606 177.594 -0.988 18282 4254 1 7 . 1 1 110 110 LYS CA C 111 56.125 56.125 58.570 -2.445 18282 4255 1 7 . 1 1 110 110 LYS CB C 111 32.423 32.423 32.495 -0.072 18282 4256 1 7 . 1 1 110 110 LYS H H 111 8.206 8.206 8.262 -0.056 18282 4257 1 7 . 1 1 111 111 SER N N 112 116.381 116.381 112.927 3.454 18282 4258 1 7 . 1 1 111 111 SER HA H 112 4.395 4.395 4.195 0.200 18282 4259 1 7 . 1 1 111 111 SER C C 112 175.168 175.168 176.702 -1.534 18282 4260 1 7 . 1 1 111 111 SER CA C 112 58.456 58.456 60.874 -2.418 18282 4261 1 7 . 1 1 111 111 SER CB C 112 63.495 63.495 63.408 0.087 18282 4262 1 7 . 1 1 111 111 SER H H 112 8.217 8.217 7.578 0.639 18282 4263 1 7 . 1 1 112 112 ASN N N 113 119.799 119.799 119.114 0.685 18282 4264 1 7 . 1 1 112 112 ASN HA H 113 4.699 4.699 4.631 0.068 18282 4265 1 7 . 1 1 112 112 ASN C C 113 175.552 175.552 175.085 0.467 18282 4266 1 7 . 1 1 112 112 ASN CA C 113 53.592 53.592 54.770 -1.178 18282 4267 1 7 . 1 1 112 112 ASN CB C 113 38.772 38.772 39.598 -0.826 18282 4268 1 7 . 1 1 112 112 ASN H H 113 7.950 7.950 7.719 0.231 18282 4269 1 7 . 1 1 113 113 SER N N 114 115.430 115.430 109.755 5.675 18282 4270 1 7 . 1 1 113 113 SER HA H 114 4.382 4.382 4.755 -0.373 18282 4271 1 7 . 1 1 113 113 SER C C 114 174.558 174.558 172.857 1.701 18282 4272 1 7 . 1 1 113 113 SER CA C 114 58.919 58.919 57.530 1.389 18282 4273 1 7 . 1 1 113 113 SER CB C 114 63.494 63.494 64.834 -1.340 18282 4274 1 7 . 1 1 113 113 SER H H 114 7.970 7.970 7.684 0.286 18282 4275 1 7 . 1 1 114 114 GLN N N 115 121.973 121.973 120.159 1.814 18282 4276 1 7 . 1 1 114 114 GLN HA H 115 4.347 4.347 4.502 -0.155 18282 4277 1 7 . 1 1 114 114 GLN C C 115 176.246 176.246 176.599 -0.353 18282 4278 1 7 . 1 1 114 114 GLN CA C 115 56.036 56.036 56.595 -0.559 18282 4279 1 7 . 1 1 114 114 GLN CB C 115 29.196 29.196 29.179 0.017 18282 4280 1 7 . 1 1 114 114 GLN H H 115 8.382 8.382 8.749 -0.367 18282 4281 1 7 . 1 1 115 115 THR N N 116 114.701 114.701 113.440 1.261 18282 4282 1 7 . 1 1 115 115 THR HA H 116 4.238 4.238 4.055 0.183 18282 4283 1 7 . 1 1 115 115 THR C C 116 174.276 174.276 175.219 -0.943 18282 4284 1 7 . 1 1 115 115 THR CA C 116 62.221 62.221 64.732 -2.511 18282 4285 1 7 . 1 1 115 115 THR CB C 116 69.405 69.405 68.870 0.535 18282 4286 1 7 . 1 1 115 115 THR H H 116 8.070 8.070 8.063 0.007 18282 4287 1 7 . 1 1 116 116 ASP N N 117 122.566 122.566 119.025 3.541 18282 4288 1 7 . 1 1 116 116 ASP HA H 117 4.575 4.575 4.553 0.022 18282 4289 1 7 . 1 1 116 116 ASP C C 117 176.241 176.241 175.533 0.708 18282 4290 1 7 . 1 1 116 116 ASP CA C 117 54.286 54.286 55.864 -1.578 18282 4291 1 7 . 1 1 116 116 ASP CB C 117 40.609 40.609 41.152 -0.543 18282 4292 1 7 . 1 1 116 116 ASP H H 117 8.288 8.288 8.619 -0.331 18282 4293 1 7 . 1 1 117 117 LEU N N 118 122.118 122.118 119.477 2.641 18282 4294 1 7 . 1 1 117 117 LEU HA H 118 4.163 4.163 4.568 -0.405 18282 4295 1 7 . 1 1 117 117 LEU C C 118 177.637 177.637 175.190 2.447 18282 4296 1 7 . 1 1 117 117 LEU CA C 118 55.475 55.475 53.718 1.757 18282 4297 1 7 . 1 1 117 117 LEU CB C 118 41.964 41.964 44.580 -2.615 18282 4298 1 7 . 1 1 117 117 LEU H H 118 8.088 8.088 7.873 0.215 18282 4299 1 7 . 1 1 118 118 GLU N N 119 119.527 119.527 122.273 -2.746 18282 4300 1 7 . 1 1 118 118 GLU HA H 119 4.086 4.086 4.495 -0.409 18282 4301 1 7 . 1 1 118 118 GLU C C 119 176.265 176.265 174.921 1.344 18282 4302 1 7 . 1 1 118 118 GLU CA C 119 56.569 56.569 55.300 1.269 18282 4303 1 7 . 1 1 118 118 GLU CB C 119 29.486 29.486 32.569 -3.083 18282 4304 1 7 . 1 1 118 118 GLU H H 119 8.134 8.134 8.410 -0.276 18282 4305 1 7 . 1 1 119 119 HIS N N 120 118.076 118.076 120.990 -2.914 18282 4306 1 7 . 1 1 119 119 HIS HA H 120 4.485 4.485 4.815 -0.330 18282 4307 1 7 . 1 1 119 119 HIS CA C 120 55.422 55.422 55.269 0.153 18282 4308 1 7 . 1 1 119 119 HIS CB C 120 28.628 28.628 31.519 -2.891 18282 4309 1 7 . 1 1 119 119 HIS H H 120 8.134 8.134 8.334 -0.200 18282 4310 1 7 . 1 1 120 120 HIS N N 121 119.323 119.323 120.463 -1.140 18282 4311 1 7 . 1 1 120 120 HIS HA H 121 4.242 4.242 4.909 -0.667 18282 4312 1 7 . 1 1 120 120 HIS CA C 121 56.732 56.732 55.370 1.362 18282 4313 1 7 . 1 1 120 120 HIS H H 121 8.372 8.372 8.625 -0.253 18282 4314 1 7 . 1 1 121 121 HIS N N 122 126.032 126.032 119.175 6.857 18282 4315 1 7 . 1 1 121 121 HIS CA C 122 57.036 57.036 57.324 -0.288 18282 4316 1 7 . 1 1 121 121 HIS CB C 122 29.923 29.923 30.274 -0.351 18282 4317 1 7 . 1 1 121 121 HIS H H 122 7.900 7.900 8.493 -0.593 18282 4318 1 7 . 1 1 122 122 HIS N N 123 121.012 121.012 116.403 4.609 18282 4319 1 7 . 1 1 122 122 HIS HA H 123 4.595 4.595 4.780 -0.185 18282 4320 1 7 . 1 1 122 122 HIS CA C 123 55.372 55.372 55.952 -0.580 18282 4321 1 7 . 1 1 122 122 HIS CB C 123 29.165 29.165 30.734 -1.569 18282 4322 1 7 . 1 1 122 122 HIS H H 123 8.595 8.595 8.207 0.388 18282 4323 1 7 . 1 1 123 123 HIS N N 124 120.343 120.343 121.518 -1.175 18282 4324 1 7 . 1 1 123 123 HIS CA C 124 57.380 57.380 58.686 -1.306 18282 4325 1 7 . 1 1 123 123 HIS CB C 124 35.491 35.491 30.784 4.707 18282 4326 1 7 . 1 1 123 123 HIS H H 124 8.558 8.558 8.919 -0.361 18282 4327 1 8 . 1 1 2 2 GLN N N 3 122.228 122.228 119.980 2.248 18282 4328 1 8 . 1 1 2 2 GLN HA H 3 3.896 3.896 4.080 -0.184 18282 4329 1 8 . 1 1 2 2 GLN C C 3 178.672 178.672 177.829 0.843 18282 4330 1 8 . 1 1 2 2 GLN CA C 3 58.794 58.794 57.766 1.028 18282 4331 1 8 . 1 1 2 2 GLN H H 3 9.310 9.310 8.432 0.878 18282 4332 1 8 . 1 1 3 3 GLU N N 4 119.529 119.529 120.556 -1.027 18282 4333 1 8 . 1 1 3 3 GLU C C 4 175.504 175.504 178.430 -2.926 18282 4334 1 8 . 1 1 3 3 GLU CA C 4 59.561 59.561 58.561 1.000 18282 4335 1 8 . 1 1 3 3 GLU CB C 4 28.876 28.876 28.802 0.074 18282 4336 1 8 . 1 1 3 3 GLU H H 4 8.489 8.489 8.660 -0.171 18282 4337 1 8 . 1 1 4 4 LEU N N 5 114.832 114.832 121.836 -7.004 18282 4338 1 8 . 1 1 4 4 LEU HA H 5 3.716 3.716 3.954 -0.238 18282 4339 1 8 . 1 1 4 4 LEU C C 5 178.276 178.276 178.509 -0.233 18282 4340 1 8 . 1 1 4 4 LEU CA C 5 57.813 57.813 58.148 -0.335 18282 4341 1 8 . 1 1 4 4 LEU CB C 5 40.844 40.844 41.692 -0.848 18282 4342 1 8 . 1 1 4 4 LEU H H 5 8.210 8.210 7.843 0.367 18282 4343 1 8 . 1 1 5 5 SER N N 6 109.726 109.726 115.588 -5.862 18282 4344 1 8 . 1 1 5 5 SER HA H 6 4.127 4.127 4.172 -0.045 18282 4345 1 8 . 1 1 5 5 SER C C 6 178.508 178.508 177.034 1.474 18282 4346 1 8 . 1 1 5 5 SER CA C 6 60.401 60.401 61.289 -0.888 18282 4347 1 8 . 1 1 5 5 SER CB C 6 63.535 63.535 62.158 1.377 18282 4348 1 8 . 1 1 5 5 SER H H 6 8.247 8.247 8.151 0.096 18282 4349 1 8 . 1 1 6 6 GLN N N 7 117.203 117.203 121.286 -4.083 18282 4350 1 8 . 1 1 6 6 GLN HA H 7 4.026 4.026 4.106 -0.080 18282 4351 1 8 . 1 1 6 6 GLN CA C 7 58.474 58.474 58.041 0.433 18282 4352 1 8 . 1 1 6 6 GLN H H 7 8.719 8.719 8.733 -0.014 18282 4353 1 8 . 1 1 7 7 HIS C C 8 178.622 178.622 177.584 1.038 18282 4354 1 8 . 1 1 8 8 GLU N N 9 120.357 120.357 119.024 1.333 18282 4355 1 8 . 1 1 8 8 GLU HA H 9 3.969 3.969 4.112 -0.143 18282 4356 1 8 . 1 1 8 8 GLU C C 9 178.408 178.408 179.318 -0.910 18282 4357 1 8 . 1 1 8 8 GLU CA C 9 58.244 58.244 60.026 -1.782 18282 4358 1 8 . 1 1 8 8 GLU CB C 9 29.013 29.013 29.168 -0.155 18282 4359 1 8 . 1 1 8 8 GLU H H 9 7.701 7.701 7.944 -0.243 18282 4360 1 8 . 1 1 9 9 ARG N N 10 118.791 118.791 119.467 -0.676 18282 4361 1 8 . 1 1 9 9 ARG HA H 10 4.124 4.124 4.044 0.080 18282 4362 1 8 . 1 1 9 9 ARG C C 10 178.599 178.599 178.558 0.041 18282 4363 1 8 . 1 1 9 9 ARG CA C 10 58.633 58.633 59.133 -0.500 18282 4364 1 8 . 1 1 9 9 ARG CB C 10 29.005 29.005 30.217 -1.212 18282 4365 1 8 . 1 1 9 9 ARG H H 10 8.910 8.910 7.671 1.239 18282 4366 1 8 . 1 1 10 10 TYR N N 11 121.239 121.239 120.901 0.338 18282 4367 1 8 . 1 1 10 10 TYR HA H 11 4.186 4.186 4.106 0.080 18282 4368 1 8 . 1 1 10 10 TYR C C 11 176.644 176.644 177.589 -0.945 18282 4369 1 8 . 1 1 10 10 TYR CA C 11 61.311 61.311 62.013 -0.702 18282 4370 1 8 . 1 1 10 10 TYR CB C 11 37.956 37.956 38.151 -0.195 18282 4371 1 8 . 1 1 10 10 TYR H H 11 7.562 7.562 8.611 -1.049 18282 4372 1 8 . 1 1 11 11 VAL N N 12 119.249 119.249 118.732 0.517 18282 4373 1 8 . 1 1 11 11 VAL HA H 12 3.119 3.119 3.501 -0.382 18282 4374 1 8 . 1 1 11 11 VAL C C 12 177.275 177.275 178.021 -0.746 18282 4375 1 8 . 1 1 11 11 VAL CA C 12 66.925 66.925 66.067 0.858 18282 4376 1 8 . 1 1 11 11 VAL CB C 12 30.981 30.981 31.669 -0.688 18282 4377 1 8 . 1 1 11 11 VAL H H 12 8.087 8.087 7.487 0.600 18282 4378 1 8 . 1 1 12 12 GLU N N 13 119.569 119.569 118.036 1.533 18282 4379 1 8 . 1 1 12 12 GLU HA H 13 4.213 4.213 3.970 0.243 18282 4380 1 8 . 1 1 12 12 GLU C C 13 175.207 175.207 178.841 -3.634 18282 4381 1 8 . 1 1 12 12 GLU CA C 13 55.971 55.971 59.075 -3.104 18282 4382 1 8 . 1 1 12 12 GLU CB C 13 28.439 28.439 29.600 -1.161 18282 4383 1 8 . 1 1 12 12 GLU H H 13 8.312 8.312 7.546 0.766 18282 4384 1 8 . 1 1 13 13 GLN N N 14 119.375 119.375 120.154 -0.779 18282 4385 1 8 . 1 1 13 13 GLN HA H 14 3.657 3.657 4.028 -0.371 18282 4386 1 8 . 1 1 13 13 GLN CA C 14 54.294 54.294 58.266 -3.972 18282 4387 1 8 . 1 1 13 13 GLN CB C 14 29.681 29.681 28.436 1.245 18282 4388 1 8 . 1 1 13 13 GLN H H 14 7.690 7.690 8.739 -1.049 18282 4389 1 8 . 1 1 14 14 LEU HA H 15 3.865 3.865 3.760 0.105 18282 4390 1 8 . 1 1 14 14 LEU CA C 15 58.177 58.177 57.324 0.853 18282 4391 1 8 . 1 1 14 14 LEU CB C 15 40.693 40.693 40.870 -0.177 18282 4392 1 8 . 1 1 15 15 LYS HA H 16 3.737 3.737 3.854 -0.117 18282 4393 1 8 . 1 1 15 15 LYS C C 16 177.817 177.817 179.184 -1.367 18282 4394 1 8 . 1 1 15 15 LYS CA C 16 60.352 60.352 59.447 0.905 18282 4395 1 8 . 1 1 15 15 LYS CB C 16 32.106 32.106 31.928 0.178 18282 4396 1 8 . 1 1 16 16 GLN N N 17 117.498 117.498 119.026 -1.528 18282 4397 1 8 . 1 1 16 16 GLN HA H 17 3.864 3.864 4.028 -0.164 18282 4398 1 8 . 1 1 16 16 GLN CA C 17 58.307 58.307 58.554 -0.247 18282 4399 1 8 . 1 1 16 16 GLN CB C 17 27.788 27.788 28.558 -0.770 18282 4400 1 8 . 1 1 16 16 GLN H H 17 7.862 7.862 7.481 0.381 18282 4401 1 8 . 1 1 17 17 ALA HA H 18 3.793 3.793 3.950 -0.157 18282 4402 1 8 . 1 1 17 17 ALA C C 18 179.147 179.147 179.311 -0.164 18282 4403 1 8 . 1 1 17 17 ALA CA C 18 54.792 54.792 54.878 -0.086 18282 4404 1 8 . 1 1 17 17 ALA CB C 18 17.693 17.693 18.286 -0.593 18282 4405 1 8 . 1 1 18 18 LEU N N 19 117.278 117.278 116.968 0.310 18282 4406 1 8 . 1 1 18 18 LEU HA H 19 3.784 3.784 3.850 -0.066 18282 4407 1 8 . 1 1 18 18 LEU C C 19 174.935 174.935 178.616 -3.681 18282 4408 1 8 . 1 1 18 18 LEU CA C 19 57.731 57.731 56.823 0.908 18282 4409 1 8 . 1 1 18 18 LEU CB C 19 40.703 40.703 41.432 -0.730 18282 4410 1 8 . 1 1 18 18 LEU H H 19 8.168 8.168 7.499 0.669 18282 4411 1 8 . 1 1 19 19 LYS N N 20 118.025 118.025 120.554 -2.529 18282 4412 1 8 . 1 1 19 19 LYS C C 20 177.982 177.982 179.367 -1.385 18282 4413 1 8 . 1 1 19 19 LYS CA C 20 60.439 60.439 59.314 1.125 18282 4414 1 8 . 1 1 19 19 LYS H H 20 8.345 8.345 7.576 0.769 18282 4415 1 8 . 1 1 20 20 THR N N 21 116.345 116.345 112.430 3.915 18282 4416 1 8 . 1 1 20 20 THR HA H 21 4.126 4.126 4.198 -0.072 18282 4417 1 8 . 1 1 20 20 THR C C 21 175.469 175.469 175.888 -0.419 18282 4418 1 8 . 1 1 20 20 THR CA C 21 64.643 64.643 63.615 1.028 18282 4419 1 8 . 1 1 20 20 THR CB C 21 68.652 68.652 68.635 0.017 18282 4420 1 8 . 1 1 20 20 THR H H 21 7.896 7.896 7.684 0.212 18282 4421 1 8 . 1 1 21 21 ARG N N 22 118.792 118.792 119.094 -0.302 18282 4422 1 8 . 1 1 21 21 ARG HA H 22 4.375 4.375 4.297 0.078 18282 4423 1 8 . 1 1 21 21 ARG C C 22 176.364 176.364 177.198 -0.834 18282 4424 1 8 . 1 1 21 21 ARG CA C 22 54.157 54.157 55.361 -1.204 18282 4425 1 8 . 1 1 21 21 ARG CB C 22 29.453 29.453 30.080 -0.627 18282 4426 1 8 . 1 1 21 21 ARG H H 22 7.317 7.317 7.575 -0.258 18282 4427 1 8 . 1 1 22 22 GLY N N 23 108.428 108.428 106.344 2.084 18282 4428 1 8 . 1 1 22 22 GLY C C 23 174.154 174.154 174.129 0.025 18282 4429 1 8 . 1 1 22 22 GLY CA C 23 45.953 45.953 44.822 1.131 18282 4430 1 8 . 1 1 22 22 GLY H H 23 7.881 7.881 7.470 0.411 18282 4431 1 8 . 1 1 23 23 VAL N N 24 117.319 117.319 118.908 -1.589 18282 4432 1 8 . 1 1 23 23 VAL HA H 24 4.036 4.036 4.329 -0.293 18282 4433 1 8 . 1 1 23 23 VAL C C 24 175.601 175.601 175.115 0.486 18282 4434 1 8 . 1 1 23 23 VAL CA C 24 61.635 61.635 60.311 1.324 18282 4435 1 8 . 1 1 23 23 VAL CB C 24 32.589 32.589 34.141 -1.552 18282 4436 1 8 . 1 1 23 23 VAL H H 24 7.431 7.431 7.490 -0.059 18282 4437 1 8 . 1 1 24 24 LYS N N 25 127.424 127.424 123.212 4.212 18282 4438 1 8 . 1 1 24 24 LYS HA H 25 4.336 4.336 4.742 -0.406 18282 4439 1 8 . 1 1 24 24 LYS C C 25 175.550 175.550 175.043 0.507 18282 4440 1 8 . 1 1 24 24 LYS CA C 25 55.811 55.811 55.416 0.395 18282 4441 1 8 . 1 1 24 24 LYS CB C 25 32.269 32.269 33.744 -1.475 18282 4442 1 8 . 1 1 24 24 LYS H H 25 8.665 8.665 8.435 0.230 18282 4443 1 8 . 1 1 25 25 VAL N N 26 120.764 120.764 119.313 1.451 18282 4444 1 8 . 1 1 25 25 VAL HA H 26 4.140 4.140 4.626 -0.486 18282 4445 1 8 . 1 1 25 25 VAL C C 26 174.206 174.206 174.762 -0.556 18282 4446 1 8 . 1 1 25 25 VAL CA C 26 60.316 60.316 61.105 -0.788 18282 4447 1 8 . 1 1 25 25 VAL CB C 26 33.920 33.920 32.361 1.559 18282 4448 1 8 . 1 1 25 25 VAL H H 26 7.545 7.545 8.464 -0.919 18282 4449 1 8 . 1 1 26 26 LYS N N 27 125.707 125.707 125.910 -0.203 18282 4450 1 8 . 1 1 26 26 LYS HA H 27 4.115 4.115 4.638 -0.523 18282 4451 1 8 . 1 1 26 26 LYS CA C 27 55.211 55.211 53.902 1.309 18282 4452 1 8 . 1 1 26 26 LYS CB C 27 31.930 31.930 36.682 -4.752 18282 4453 1 8 . 1 1 26 26 LYS H H 27 8.608 8.608 8.546 0.062 18282 4454 1 8 . 1 1 27 27 TYR CA C 28 56.418 56.418 61.343 -4.925 18282 4455 1 8 . 1 1 27 27 TYR CB C 28 37.036 37.036 37.782 -0.747 18282 4456 1 8 . 1 1 28 28 ALA N N 29 120.712 120.712 119.976 0.736 18282 4457 1 8 . 1 1 28 28 ALA HA H 29 3.712 3.712 3.845 -0.133 18282 4458 1 8 . 1 1 28 28 ALA C C 29 180.210 180.210 179.511 0.699 18282 4459 1 8 . 1 1 28 28 ALA CA C 29 54.911 54.911 54.563 0.347 18282 4460 1 8 . 1 1 28 28 ALA CB C 29 18.034 18.034 17.603 0.431 18282 4461 1 8 . 1 1 28 28 ALA H H 29 8.326 8.326 8.275 0.051 18282 4462 1 8 . 1 1 29 29 ASP N N 30 117.166 117.166 119.442 -2.276 18282 4463 1 8 . 1 1 29 29 ASP HA H 30 4.379 4.379 4.305 0.074 18282 4464 1 8 . 1 1 29 29 ASP C C 30 178.427 178.427 178.306 0.121 18282 4465 1 8 . 1 1 29 29 ASP CA C 30 56.459 56.459 58.284 -1.825 18282 4466 1 8 . 1 1 29 29 ASP CB C 30 39.962 39.962 40.518 -0.556 18282 4467 1 8 . 1 1 29 29 ASP H H 30 6.913 6.913 8.793 -1.880 18282 4468 1 8 . 1 1 30 30 LEU N N 31 123.105 123.105 119.961 3.144 18282 4469 1 8 . 1 1 30 30 LEU HA H 31 3.491 3.491 4.145 -0.654 18282 4470 1 8 . 1 1 30 30 LEU CA C 31 56.841 56.841 58.080 -1.239 18282 4471 1 8 . 1 1 30 30 LEU CB C 31 40.888 40.888 41.825 -0.937 18282 4472 1 8 . 1 1 30 30 LEU H H 31 7.543 7.543 7.392 0.151 18282 4473 1 8 . 1 1 31 31 LEU HA H 32 3.611 3.611 3.795 -0.184 18282 4474 1 8 . 1 1 31 31 LEU C C 32 179.120 179.120 179.385 -0.265 18282 4475 1 8 . 1 1 31 31 LEU CA C 32 58.103 58.103 58.027 0.076 18282 4476 1 8 . 1 1 31 31 LEU CB C 32 40.594 40.594 40.976 -0.382 18282 4477 1 8 . 1 1 32 32 LYS N N 33 118.074 118.074 118.688 -0.614 18282 4478 1 8 . 1 1 32 32 LYS HA H 33 4.202 4.202 4.109 0.093 18282 4479 1 8 . 1 1 32 32 LYS C C 33 180.044 180.044 178.683 1.361 18282 4480 1 8 . 1 1 32 32 LYS CA C 33 59.081 59.081 59.027 0.054 18282 4481 1 8 . 1 1 32 32 LYS CB C 33 31.735 31.735 32.570 -0.835 18282 4482 1 8 . 1 1 32 32 LYS H H 33 7.189 7.189 7.576 -0.387 18282 4483 1 8 . 1 1 33 33 PHE N N 34 122.977 122.977 120.552 2.425 18282 4484 1 8 . 1 1 33 33 PHE CA C 34 60.402 60.402 61.856 -1.454 18282 4485 1 8 . 1 1 33 33 PHE H H 34 7.768 7.768 8.663 -0.895 18282 4486 1 8 . 1 1 34 34 PHE HA H 35 3.800 3.800 4.035 -0.235 18282 4487 1 8 . 1 1 34 34 PHE C C 35 176.355 176.355 176.971 -0.616 18282 4488 1 8 . 1 1 34 34 PHE CA C 35 61.813 61.813 62.150 -0.337 18282 4489 1 8 . 1 1 34 34 PHE CB C 35 37.164 37.164 39.114 -1.950 18282 4490 1 8 . 1 1 35 35 ASP N N 36 119.969 119.969 119.207 0.762 18282 4491 1 8 . 1 1 35 35 ASP C C 36 177.087 177.087 178.837 -1.750 18282 4492 1 8 . 1 1 35 35 ASP CA C 36 58.278 58.278 56.993 1.285 18282 4493 1 8 . 1 1 35 35 ASP CB C 36 39.578 39.578 40.307 -0.729 18282 4494 1 8 . 1 1 35 35 ASP H H 36 8.338 8.338 7.934 0.404 18282 4495 1 8 . 1 1 36 36 PHE N N 37 122.901 122.901 120.205 2.696 18282 4496 1 8 . 1 1 36 36 PHE C C 37 178.788 178.788 177.701 1.087 18282 4497 1 8 . 1 1 36 36 PHE CA C 37 61.416 61.416 60.546 0.870 18282 4498 1 8 . 1 1 36 36 PHE CB C 37 38.369 38.369 39.020 -0.651 18282 4499 1 8 . 1 1 36 36 PHE H H 37 7.860 7.860 7.982 -0.122 18282 4500 1 8 . 1 1 37 37 VAL N N 38 122.329 122.329 114.308 8.021 18282 4501 1 8 . 1 1 37 37 VAL HA H 38 3.100 3.100 3.552 -0.452 18282 4502 1 8 . 1 1 37 37 VAL C C 38 176.147 176.147 177.701 -1.554 18282 4503 1 8 . 1 1 37 37 VAL CA C 38 67.153 67.153 65.676 1.477 18282 4504 1 8 . 1 1 37 37 VAL CB C 38 30.625 30.625 31.393 -0.768 18282 4505 1 8 . 1 1 37 37 VAL H H 38 8.451 8.451 7.514 0.937 18282 4506 1 8 . 1 1 38 38 LYS N N 39 118.837 118.837 118.416 0.421 18282 4507 1 8 . 1 1 38 38 LYS HA H 39 3.473 3.473 3.848 -0.375 18282 4508 1 8 . 1 1 38 38 LYS C C 39 176.361 176.361 177.695 -1.334 18282 4509 1 8 . 1 1 38 38 LYS CA C 39 59.519 59.519 58.668 0.851 18282 4510 1 8 . 1 1 38 38 LYS CB C 39 31.628 31.628 31.447 0.181 18282 4511 1 8 . 1 1 38 38 LYS H H 39 7.581 7.581 7.525 0.056 18282 4512 1 8 . 1 1 39 39 ASP N N 40 116.210 116.210 117.801 -1.591 18282 4513 1 8 . 1 1 39 39 ASP HA H 40 4.261 4.261 4.455 -0.194 18282 4514 1 8 . 1 1 39 39 ASP CA C 40 56.580 56.580 56.543 0.037 18282 4515 1 8 . 1 1 39 39 ASP CB C 40 40.977 40.977 40.840 0.137 18282 4516 1 8 . 1 1 39 39 ASP H H 40 8.052 8.052 7.721 0.331 18282 4517 1 8 . 1 1 40 40 THR N N 41 109.215 109.215 107.550 1.665 18282 4518 1 8 . 1 1 40 40 THR C C 41 174.559 174.559 174.432 0.127 18282 4519 1 8 . 1 1 40 40 THR H H 41 7.232 7.232 7.704 -0.472 18282 4520 1 8 . 1 1 41 41 CYS N N 42 117.927 117.927 119.736 -1.809 18282 4521 1 8 . 1 1 41 41 CYS CA C 42 55.865 55.865 58.960 -3.095 18282 4522 1 8 . 1 1 41 41 CYS CB C 42 28.500 28.500 25.494 3.006 18282 4523 1 8 . 1 1 41 41 CYS H H 42 7.197 7.197 8.660 -1.463 18282 4524 1 8 . 1 1 42 42 PRO HA H 43 3.987 3.987 4.378 -0.391 18282 4525 1 8 . 1 1 42 42 PRO C C 43 176.688 176.688 176.858 -0.170 18282 4526 1 8 . 1 1 42 42 PRO CA C 43 65.206 65.206 64.043 1.163 18282 4527 1 8 . 1 1 42 42 PRO CB C 43 30.767 30.767 31.972 -1.205 18282 4528 1 8 . 1 1 43 43 TRP N N 44 113.805 113.805 117.934 -4.129 18282 4529 1 8 . 1 1 43 43 TRP HA H 44 4.361 4.361 4.563 -0.202 18282 4530 1 8 . 1 1 43 43 TRP C C 44 176.982 176.982 176.201 0.781 18282 4531 1 8 . 1 1 43 43 TRP CA C 44 61.758 61.758 57.692 4.066 18282 4532 1 8 . 1 1 43 43 TRP CB C 44 27.771 27.771 29.119 -1.348 18282 4533 1 8 . 1 1 43 43 TRP H H 44 6.632 6.632 8.004 -1.372 18282 4534 1 8 . 1 1 44 44 PHE N N 45 123.019 123.019 117.259 5.760 18282 4535 1 8 . 1 1 44 44 PHE HA H 45 4.043 4.043 4.160 -0.117 18282 4536 1 8 . 1 1 44 44 PHE CA C 45 62.990 62.990 58.162 4.828 18282 4537 1 8 . 1 1 44 44 PHE CB C 45 35.109 35.109 37.305 -2.196 18282 4538 1 8 . 1 1 44 44 PHE H H 45 7.302 7.302 7.599 -0.297 18282 4539 1 8 . 1 1 45 45 PRO HA H 46 4.015 4.015 4.284 -0.269 18282 4540 1 8 . 1 1 45 45 PRO C C 46 176.462 176.462 176.651 -0.189 18282 4541 1 8 . 1 1 45 45 PRO CA C 46 64.582 64.582 64.007 0.575 18282 4542 1 8 . 1 1 45 45 PRO CB C 46 30.254 30.254 31.390 -1.136 18282 4543 1 8 . 1 1 46 46 GLN N N 47 114.404 114.404 118.167 -3.763 18282 4544 1 8 . 1 1 46 46 GLN HA H 47 3.941 3.941 3.872 0.069 18282 4545 1 8 . 1 1 46 46 GLN C C 47 177.234 177.234 176.750 0.484 18282 4546 1 8 . 1 1 46 46 GLN CA C 47 58.328 58.328 58.189 0.139 18282 4547 1 8 . 1 1 46 46 GLN CB C 47 28.471 28.471 27.993 0.478 18282 4548 1 8 . 1 1 46 46 GLN H H 47 6.544 6.544 8.013 -1.469 18282 4549 1 8 . 1 1 47 47 GLU N N 48 117.356 117.356 116.820 0.536 18282 4550 1 8 . 1 1 47 47 GLU HA H 48 4.085 4.085 4.260 -0.175 18282 4551 1 8 . 1 1 47 47 GLU C C 48 179.130 179.130 176.510 2.620 18282 4552 1 8 . 1 1 47 47 GLU CA C 48 58.215 58.215 55.964 2.251 18282 4553 1 8 . 1 1 47 47 GLU CB C 48 29.247 29.247 30.931 -1.684 18282 4554 1 8 . 1 1 47 47 GLU H H 48 7.710 7.710 7.309 0.401 18282 4555 1 8 . 1 1 48 48 GLY N N 49 105.456 105.456 108.511 -3.055 18282 4556 1 8 . 1 1 48 48 GLY C C 49 171.006 171.006 173.227 -2.221 18282 4557 1 8 . 1 1 48 48 GLY CA C 49 47.085 47.085 45.400 1.685 18282 4558 1 8 . 1 1 48 48 GLY H H 49 7.296 7.296 7.544 -0.248 18282 4559 1 8 . 1 1 49 49 THR N N 50 114.015 114.015 114.060 -0.045 18282 4560 1 8 . 1 1 49 49 THR HA H 50 4.248 4.248 4.946 -0.698 18282 4561 1 8 . 1 1 49 49 THR CA C 50 61.830 61.830 60.109 1.720 18282 4562 1 8 . 1 1 49 49 THR CB C 50 70.692 70.692 71.728 -1.036 18282 4563 1 8 . 1 1 49 49 THR H H 50 7.599 7.599 7.609 -0.010 18282 4564 1 8 . 1 1 50 50 ILE HA H 51 4.135 4.135 4.440 -0.305 18282 4565 1 8 . 1 1 50 50 ILE C C 51 172.608 172.608 174.607 -1.999 18282 4566 1 8 . 1 1 50 50 ILE CA C 51 59.075 59.075 61.178 -2.103 18282 4567 1 8 . 1 1 50 50 ILE CB C 51 35.416 35.416 38.873 -3.457 18282 4568 1 8 . 1 1 51 51 ASP N N 52 121.859 121.859 125.992 -4.133 18282 4569 1 8 . 1 1 51 51 ASP HA H 52 4.625 4.625 4.574 0.051 18282 4570 1 8 . 1 1 51 51 ASP C C 52 175.770 175.770 174.969 0.801 18282 4571 1 8 . 1 1 51 51 ASP CA C 52 51.634 51.634 52.998 -1.364 18282 4572 1 8 . 1 1 51 51 ASP CB C 52 42.528 42.528 41.705 0.823 18282 4573 1 8 . 1 1 51 51 ASP H H 52 7.176 7.176 7.606 -0.430 18282 4574 1 8 . 1 1 52 52 ILE N N 53 119.549 119.549 122.914 -3.365 18282 4575 1 8 . 1 1 52 52 ILE HA H 53 4.150 4.150 3.931 0.219 18282 4576 1 8 . 1 1 52 52 ILE C C 53 176.961 176.961 177.260 -0.299 18282 4577 1 8 . 1 1 52 52 ILE CA C 53 61.899 61.899 62.245 -0.346 18282 4578 1 8 . 1 1 52 52 ILE CB C 53 37.700 37.700 38.372 -0.672 18282 4579 1 8 . 1 1 52 52 ILE H H 53 8.777 8.777 8.466 0.311 18282 4580 1 8 . 1 1 53 53 LYS N N 54 123.515 123.515 120.682 2.833 18282 4581 1 8 . 1 1 53 53 LYS HA H 54 4.116 4.116 4.065 0.051 18282 4582 1 8 . 1 1 53 53 LYS C C 54 180.448 180.448 178.571 1.877 18282 4583 1 8 . 1 1 53 53 LYS CA C 54 59.934 59.934 59.549 0.385 18282 4584 1 8 . 1 1 53 53 LYS CB C 54 31.875 31.875 31.921 -0.046 18282 4585 1 8 . 1 1 53 53 LYS H H 54 8.106 8.106 8.197 -0.091 18282 4586 1 8 . 1 1 54 54 ARG N N 55 120.371 120.371 120.133 0.238 18282 4587 1 8 . 1 1 54 54 ARG HA H 55 4.422 4.422 4.009 0.413 18282 4588 1 8 . 1 1 54 54 ARG C C 55 179.159 179.159 178.255 0.904 18282 4589 1 8 . 1 1 54 54 ARG CA C 55 59.726 59.726 59.084 0.642 18282 4590 1 8 . 1 1 54 54 ARG CB C 55 37.368 37.368 29.752 7.616 18282 4591 1 8 . 1 1 54 54 ARG H H 55 9.183 9.183 8.501 0.682 18282 4592 1 8 . 1 1 55 55 TRP N N 56 120.755 120.755 120.129 0.626 18282 4593 1 8 . 1 1 55 55 TRP HA H 56 4.747 4.747 4.233 0.514 18282 4594 1 8 . 1 1 55 55 TRP C C 56 179.954 179.954 177.114 2.840 18282 4595 1 8 . 1 1 55 55 TRP CA C 56 60.105 60.105 59.872 0.233 18282 4596 1 8 . 1 1 55 55 TRP CB C 56 29.997 29.997 28.962 1.035 18282 4597 1 8 . 1 1 55 55 TRP H H 56 8.927 8.927 8.314 0.613 18282 4598 1 8 . 1 1 56 56 ARG N N 57 122.194 122.194 118.648 3.546 18282 4599 1 8 . 1 1 56 56 ARG HA H 57 4.406 4.406 3.402 1.004 18282 4600 1 8 . 1 1 56 56 ARG C C 57 178.101 178.101 178.826 -0.725 18282 4601 1 8 . 1 1 56 56 ARG CA C 57 60.198 60.198 59.757 0.441 18282 4602 1 8 . 1 1 56 56 ARG CB C 57 29.585 29.585 29.602 -0.018 18282 4603 1 8 . 1 1 56 56 ARG H H 57 9.220 9.220 7.201 2.019 18282 4604 1 8 . 1 1 57 57 ARG N N 58 120.674 120.674 119.587 1.087 18282 4605 1 8 . 1 1 57 57 ARG HA H 58 4.186 4.186 3.944 0.242 18282 4606 1 8 . 1 1 57 57 ARG C C 58 179.445 179.445 178.508 0.937 18282 4607 1 8 . 1 1 57 57 ARG CA C 58 59.832 59.832 59.947 -0.115 18282 4608 1 8 . 1 1 57 57 ARG CB C 58 29.753 29.753 30.059 -0.306 18282 4609 1 8 . 1 1 57 57 ARG H H 58 7.605 7.605 7.411 0.194 18282 4610 1 8 . 1 1 58 58 VAL N N 59 121.833 121.833 118.797 3.036 18282 4611 1 8 . 1 1 58 58 VAL HA H 59 3.675 3.675 3.944 -0.269 18282 4612 1 8 . 1 1 58 58 VAL C C 59 176.565 176.565 177.485 -0.920 18282 4613 1 8 . 1 1 58 58 VAL CA C 59 65.920 65.920 65.276 0.644 18282 4614 1 8 . 1 1 58 58 VAL CB C 59 30.785 30.785 31.354 -0.569 18282 4615 1 8 . 1 1 58 58 VAL H H 59 7.819 7.819 7.408 0.411 18282 4616 1 8 . 1 1 59 59 GLY N N 60 106.521 106.521 108.127 -1.606 18282 4617 1 8 . 1 1 59 59 GLY C C 60 175.923 175.923 175.540 0.383 18282 4618 1 8 . 1 1 59 59 GLY CA C 60 45.982 45.982 47.178 -1.196 18282 4619 1 8 . 1 1 59 59 GLY H H 60 7.540 7.540 8.238 -0.698 18282 4620 1 8 . 1 1 60 60 ASP N N 61 123.066 123.066 123.035 0.031 18282 4621 1 8 . 1 1 60 60 ASP HA H 61 4.261 4.261 4.535 -0.274 18282 4622 1 8 . 1 1 60 60 ASP C C 61 178.537 178.537 178.490 0.047 18282 4623 1 8 . 1 1 60 60 ASP CA C 61 56.907 56.907 56.974 -0.067 18282 4624 1 8 . 1 1 60 60 ASP CB C 61 39.654 39.654 40.482 -0.828 18282 4625 1 8 . 1 1 60 60 ASP H H 61 8.197 8.197 8.378 -0.181 18282 4626 1 8 . 1 1 61 61 CYS N N 62 121.005 121.005 118.826 2.179 18282 4627 1 8 . 1 1 61 61 CYS C C 62 177.083 177.083 177.571 -0.488 18282 4628 1 8 . 1 1 61 61 CYS CA C 62 62.380 62.380 64.489 -2.109 18282 4629 1 8 . 1 1 61 61 CYS CB C 62 26.011 26.011 27.693 -1.682 18282 4630 1 8 . 1 1 61 61 CYS H H 62 7.858 7.858 7.634 0.224 18282 4631 1 8 . 1 1 62 62 PHE N N 63 119.362 119.362 119.153 0.209 18282 4632 1 8 . 1 1 62 62 PHE HA H 63 4.117 4.117 4.229 -0.112 18282 4633 1 8 . 1 1 62 62 PHE C C 63 178.081 178.081 178.177 -0.096 18282 4634 1 8 . 1 1 62 62 PHE CA C 63 57.843 57.843 62.249 -4.406 18282 4635 1 8 . 1 1 62 62 PHE CB C 63 36.605 36.605 38.218 -1.613 18282 4636 1 8 . 1 1 62 62 PHE H H 63 8.530 8.530 8.897 -0.367 18282 4637 1 8 . 1 1 63 63 GLN N N 64 118.829 118.829 119.709 -0.880 18282 4638 1 8 . 1 1 63 63 GLN HA H 64 4.199 4.199 4.221 -0.022 18282 4639 1 8 . 1 1 63 63 GLN C C 64 177.645 177.645 178.140 -0.495 18282 4640 1 8 . 1 1 63 63 GLN CA C 64 59.094 59.094 59.487 -0.393 18282 4641 1 8 . 1 1 63 63 GLN CB C 64 28.337 28.337 28.627 -0.290 18282 4642 1 8 . 1 1 63 63 GLN H H 64 8.236 8.236 8.859 -0.623 18282 4643 1 8 . 1 1 64 64 ASP N N 65 120.234 120.234 120.338 -0.104 18282 4644 1 8 . 1 1 64 64 ASP HA H 65 4.481 4.481 4.332 0.149 18282 4645 1 8 . 1 1 64 64 ASP CA C 65 57.301 57.301 57.204 0.097 18282 4646 1 8 . 1 1 64 64 ASP CB C 65 40.773 40.773 40.472 0.300 18282 4647 1 8 . 1 1 64 64 ASP H H 65 8.257 8.257 8.223 0.034 18282 4648 1 8 . 1 1 65 65 TYR HA H 66 4.598 4.598 4.363 0.235 18282 4649 1 8 . 1 1 65 65 TYR C C 66 178.524 178.524 178.598 -0.074 18282 4650 1 8 . 1 1 65 65 TYR CA C 66 60.355 60.355 61.033 -0.678 18282 4651 1 8 . 1 1 65 65 TYR CB C 66 37.796 37.796 38.348 -0.552 18282 4652 1 8 . 1 1 66 66 TYR N N 67 122.741 122.741 120.830 1.911 18282 4653 1 8 . 1 1 66 66 TYR HA H 67 4.044 4.044 4.185 -0.141 18282 4654 1 8 . 1 1 66 66 TYR C C 67 178.220 178.220 177.240 0.980 18282 4655 1 8 . 1 1 66 66 TYR CA C 67 61.726 61.726 62.141 -0.415 18282 4656 1 8 . 1 1 66 66 TYR CB C 67 38.932 38.932 38.521 0.411 18282 4657 1 8 . 1 1 66 66 TYR H H 67 9.083 9.083 8.877 0.206 18282 4658 1 8 . 1 1 67 67 ASN N N 68 118.530 118.530 115.815 2.715 18282 4659 1 8 . 1 1 67 67 ASN HA H 68 4.378 4.378 4.505 -0.127 18282 4660 1 8 . 1 1 67 67 ASN C C 68 176.633 176.633 178.052 -1.419 18282 4661 1 8 . 1 1 67 67 ASN CA C 68 55.293 55.293 55.497 -0.204 18282 4662 1 8 . 1 1 67 67 ASN CB C 68 37.860 37.860 38.871 -1.011 18282 4663 1 8 . 1 1 67 67 ASN H H 68 8.796 8.796 8.560 0.236 18282 4664 1 8 . 1 1 68 68 THR N N 69 114.328 114.328 111.637 2.691 18282 4665 1 8 . 1 1 68 68 THR HA H 69 3.872 3.872 4.099 -0.227 18282 4666 1 8 . 1 1 68 68 THR C C 69 174.832 174.832 174.935 -0.103 18282 4667 1 8 . 1 1 68 68 THR CA C 69 65.224 65.224 65.141 0.083 18282 4668 1 8 . 1 1 68 68 THR CB C 69 69.484 69.484 68.707 0.777 18282 4669 1 8 . 1 1 68 68 THR H H 69 7.960 7.960 7.719 0.241 18282 4670 1 8 . 1 1 69 69 PHE N N 70 118.107 118.107 120.008 -1.901 18282 4671 1 8 . 1 1 69 69 PHE HA H 70 4.626 4.626 4.751 -0.125 18282 4672 1 8 . 1 1 69 69 PHE C C 70 176.495 176.495 174.912 1.583 18282 4673 1 8 . 1 1 69 69 PHE CA C 70 58.409 58.409 57.509 0.900 18282 4674 1 8 . 1 1 69 69 PHE CB C 70 40.742 40.742 39.844 0.898 18282 4675 1 8 . 1 1 69 69 PHE H H 70 8.591 8.591 7.977 0.614 18282 4676 1 8 . 1 1 70 70 GLY N N 71 109.309 109.309 108.628 0.681 18282 4677 1 8 . 1 1 70 70 GLY CA C 71 44.684 44.684 45.099 -0.415 18282 4678 1 8 . 1 1 70 70 GLY H H 71 7.893 7.893 7.246 0.647 18282 4679 1 8 . 1 1 71 71 PRO HA H 72 4.691 4.691 4.597 0.094 18282 4680 1 8 . 1 1 71 71 PRO C C 72 177.772 177.772 176.972 0.800 18282 4681 1 8 . 1 1 71 71 PRO CA C 72 63.458 63.458 62.437 1.021 18282 4682 1 8 . 1 1 71 71 PRO CB C 72 31.823 31.823 32.623 -0.800 18282 4683 1 8 . 1 1 72 72 GLU N N 73 117.421 117.421 122.867 -5.446 18282 4684 1 8 . 1 1 72 72 GLU HA H 73 4.061 4.061 4.138 -0.077 18282 4685 1 8 . 1 1 72 72 GLU C C 73 177.236 177.236 177.661 -0.425 18282 4686 1 8 . 1 1 72 72 GLU CA C 73 58.570 58.570 58.511 0.058 18282 4687 1 8 . 1 1 72 72 GLU CB C 73 28.853 28.853 29.390 -0.537 18282 4688 1 8 . 1 1 72 72 GLU H H 73 8.595 8.595 8.666 -0.071 18282 4689 1 8 . 1 1 73 73 LYS N N 74 116.846 116.846 120.049 -3.203 18282 4690 1 8 . 1 1 73 73 LYS HA H 74 4.381 4.381 4.244 0.137 18282 4691 1 8 . 1 1 73 73 LYS C C 74 175.662 175.662 175.680 -0.018 18282 4692 1 8 . 1 1 73 73 LYS CA C 74 55.263 55.263 56.736 -1.473 18282 4693 1 8 . 1 1 73 73 LYS CB C 74 33.891 33.891 32.338 1.553 18282 4694 1 8 . 1 1 73 73 LYS H H 74 7.493 7.493 8.126 -0.633 18282 4695 1 8 . 1 1 74 74 VAL N N 75 118.056 118.056 119.726 -1.670 18282 4696 1 8 . 1 1 74 74 VAL HA H 75 4.423 4.423 3.959 0.464 18282 4697 1 8 . 1 1 74 74 VAL CA C 75 58.438 58.438 61.939 -3.501 18282 4698 1 8 . 1 1 74 74 VAL CB C 75 33.763 33.763 31.160 2.603 18282 4699 1 8 . 1 1 74 74 VAL H H 75 7.342 7.342 7.701 -0.359 18282 4700 1 8 . 1 1 75 75 PRO HA H 76 4.585 4.585 4.510 0.075 18282 4701 1 8 . 1 1 75 75 PRO C C 76 178.543 178.543 177.620 0.923 18282 4702 1 8 . 1 1 75 75 PRO CA C 76 61.911 61.911 62.812 -0.901 18282 4703 1 8 . 1 1 75 75 PRO CB C 76 32.035 32.035 32.529 -0.494 18282 4704 1 8 . 1 1 76 76 VAL N N 77 119.825 119.825 125.927 -6.102 18282 4705 1 8 . 1 1 76 76 VAL HA H 77 3.921 3.921 3.946 -0.025 18282 4706 1 8 . 1 1 76 76 VAL CA C 77 65.316 65.316 64.461 0.855 18282 4707 1 8 . 1 1 76 76 VAL CB C 77 31.316 31.316 31.180 0.136 18282 4708 1 8 . 1 1 76 76 VAL H H 77 8.604 8.604 8.539 0.065 18282 4709 1 8 . 1 1 77 77 THR N N 78 109.390 109.390 113.285 -3.895 18282 4710 1 8 . 1 1 77 77 THR HA H 78 3.914 3.914 4.080 -0.166 18282 4711 1 8 . 1 1 77 77 THR C C 78 175.732 175.732 176.424 -0.692 18282 4712 1 8 . 1 1 77 77 THR CA C 78 62.803 62.803 65.557 -2.754 18282 4713 1 8 . 1 1 77 77 THR CB C 78 68.357 68.357 67.880 0.477 18282 4714 1 8 . 1 1 77 77 THR H H 78 7.380 7.380 8.382 -1.002 18282 4715 1 8 . 1 1 78 78 ALA N N 79 123.661 123.661 124.384 -0.723 18282 4716 1 8 . 1 1 78 78 ALA HA H 79 4.001 4.001 4.070 -0.069 18282 4717 1 8 . 1 1 78 78 ALA C C 79 179.527 179.527 178.991 0.536 18282 4718 1 8 . 1 1 78 78 ALA CA C 79 55.091 55.091 54.521 0.570 18282 4719 1 8 . 1 1 78 78 ALA CB C 79 17.561 17.561 17.811 -0.250 18282 4720 1 8 . 1 1 78 78 ALA H H 79 7.811 7.811 7.465 0.346 18282 4721 1 8 . 1 1 79 79 PHE N N 80 114.258 114.258 118.491 -4.233 18282 4722 1 8 . 1 1 79 79 PHE HA H 80 4.452 4.452 3.840 0.612 18282 4723 1 8 . 1 1 79 79 PHE C C 80 178.586 178.586 177.057 1.529 18282 4724 1 8 . 1 1 79 79 PHE CA C 80 61.656 61.656 60.096 1.560 18282 4725 1 8 . 1 1 79 79 PHE CB C 80 37.694 37.694 38.995 -1.301 18282 4726 1 8 . 1 1 79 79 PHE H H 80 7.306 7.306 8.966 -1.660 18282 4727 1 8 . 1 1 80 80 SER N N 81 116.865 116.865 115.268 1.597 18282 4728 1 8 . 1 1 80 80 SER CA C 81 61.824 61.824 62.395 -0.571 18282 4729 1 8 . 1 1 80 80 SER H H 81 7.733 7.733 7.924 -0.191 18282 4730 1 8 . 1 1 81 81 TYR N N 82 121.932 121.932 121.740 0.192 18282 4731 1 8 . 1 1 81 81 TYR HA H 82 4.133 4.133 4.218 -0.085 18282 4732 1 8 . 1 1 81 81 TYR C C 82 177.701 177.701 178.065 -0.364 18282 4733 1 8 . 1 1 81 81 TYR CA C 82 60.027 60.027 62.365 -2.338 18282 4734 1 8 . 1 1 81 81 TYR CB C 82 34.104 34.104 38.086 -3.982 18282 4735 1 8 . 1 1 81 81 TYR H H 82 8.151 8.151 7.433 0.718 18282 4736 1 8 . 1 1 82 82 TRP N N 83 120.817 120.817 118.273 2.544 18282 4737 1 8 . 1 1 82 82 TRP HA H 83 4.436 4.436 4.394 0.042 18282 4738 1 8 . 1 1 82 82 TRP CA C 83 63.975 63.975 58.814 5.161 18282 4739 1 8 . 1 1 82 82 TRP CB C 83 28.557 28.557 28.273 0.284 18282 4740 1 8 . 1 1 82 82 TRP H H 83 8.645 8.645 7.921 0.724 18282 4741 1 8 . 1 1 83 83 ASN HA H 84 4.230 4.230 4.352 -0.122 18282 4742 1 8 . 1 1 83 83 ASN C C 84 176.140 176.140 177.839 -1.699 18282 4743 1 8 . 1 1 83 83 ASN CA C 84 56.683 56.683 56.132 0.551 18282 4744 1 8 . 1 1 83 83 ASN CB C 84 39.116 39.116 37.758 1.358 18282 4745 1 8 . 1 1 84 84 LEU N N 85 121.884 121.884 122.042 -0.158 18282 4746 1 8 . 1 1 84 84 LEU HA H 85 4.054 4.054 4.165 -0.111 18282 4747 1 8 . 1 1 84 84 LEU C C 85 178.369 178.369 178.518 -0.149 18282 4748 1 8 . 1 1 84 84 LEU CA C 85 58.228 58.228 57.820 0.408 18282 4749 1 8 . 1 1 84 84 LEU CB C 85 41.576 41.576 41.939 -0.363 18282 4750 1 8 . 1 1 84 84 LEU H H 85 7.751 7.751 7.708 0.043 18282 4751 1 8 . 1 1 85 85 ILE N N 86 116.825 116.825 119.195 -2.370 18282 4752 1 8 . 1 1 85 85 ILE HA H 86 3.462 3.462 3.698 -0.236 18282 4753 1 8 . 1 1 85 85 ILE C C 86 176.809 176.809 178.029 -1.220 18282 4754 1 8 . 1 1 85 85 ILE CA C 86 61.345 61.345 65.583 -4.238 18282 4755 1 8 . 1 1 85 85 ILE CB C 86 34.099 34.099 37.809 -3.710 18282 4756 1 8 . 1 1 85 85 ILE H H 86 7.952 7.952 8.755 -0.803 18282 4757 1 8 . 1 1 86 86 LYS N N 87 121.846 121.846 120.431 1.415 18282 4758 1 8 . 1 1 86 86 LYS HA H 87 3.231 3.231 3.985 -0.754 18282 4759 1 8 . 1 1 86 86 LYS C C 87 177.221 177.221 178.493 -1.272 18282 4760 1 8 . 1 1 86 86 LYS CA C 87 60.033 60.033 60.001 0.032 18282 4761 1 8 . 1 1 86 86 LYS CB C 87 31.005 31.005 32.312 -1.307 18282 4762 1 8 . 1 1 86 86 LYS H H 87 7.876 7.876 8.069 -0.193 18282 4763 1 8 . 1 1 87 87 GLU N N 88 116.331 116.331 119.882 -3.551 18282 4764 1 8 . 1 1 87 87 GLU HA H 88 3.861 3.861 4.181 -0.320 18282 4765 1 8 . 1 1 87 87 GLU C C 88 178.810 178.810 178.806 0.004 18282 4766 1 8 . 1 1 87 87 GLU CA C 88 58.949 58.949 58.494 0.455 18282 4767 1 8 . 1 1 87 87 GLU CB C 88 29.221 29.221 29.071 0.150 18282 4768 1 8 . 1 1 87 87 GLU H H 88 7.679 7.679 7.773 -0.094 18282 4769 1 8 . 1 1 88 88 LEU N N 89 118.090 118.090 121.962 -3.872 18282 4770 1 8 . 1 1 88 88 LEU HA H 89 3.909 3.909 4.101 -0.192 18282 4771 1 8 . 1 1 88 88 LEU CA C 89 57.688 57.688 58.027 -0.339 18282 4772 1 8 . 1 1 88 88 LEU CB C 89 41.436 41.436 41.499 -0.063 18282 4773 1 8 . 1 1 88 88 LEU H H 89 7.441 7.441 8.246 -0.805 18282 4774 1 8 . 1 1 89 89 ILE HA H 90 3.344 3.344 3.756 -0.412 18282 4775 1 8 . 1 1 89 89 ILE CA C 90 65.082 65.082 64.295 0.787 18282 4776 1 8 . 1 1 89 89 ILE CB C 90 37.556 37.556 38.014 -0.458 18282 4777 1 8 . 1 1 90 90 ASP HA H 91 3.894 3.894 4.432 -0.538 18282 4778 1 8 . 1 1 90 90 ASP CA C 91 57.678 57.678 55.214 2.464 18282 4779 1 8 . 1 1 90 90 ASP CB C 91 40.546 40.546 41.286 -0.740 18282 4780 1 8 . 1 1 91 91 LYS N N 92 119.422 119.422 120.583 -1.161 18282 4781 1 8 . 1 1 91 91 LYS CA C 92 54.600 54.600 57.447 -2.847 18282 4782 1 8 . 1 1 91 91 LYS CB C 92 32.014 32.014 32.901 -0.887 18282 4783 1 8 . 1 1 91 91 LYS H H 92 7.903 7.903 7.832 0.071 18282 4784 1 8 . 1 1 92 92 LYS HA H 93 4.541 4.541 4.236 0.305 18282 4785 1 8 . 1 1 92 92 LYS CA C 93 55.202 55.202 58.386 -3.184 18282 4786 1 8 . 1 1 92 92 LYS CB C 93 31.758 31.758 32.602 -0.845 18282 4787 1 8 . 1 1 93 93 GLU N N 94 115.922 115.922 118.777 -2.855 18282 4788 1 8 . 1 1 93 93 GLU HA H 94 4.283 4.283 4.476 -0.193 18282 4789 1 8 . 1 1 93 93 GLU C C 94 175.613 175.613 175.345 0.268 18282 4790 1 8 . 1 1 93 93 GLU CA C 94 56.296 56.296 55.680 0.616 18282 4791 1 8 . 1 1 93 93 GLU CB C 94 29.415 29.415 28.862 0.553 18282 4792 1 8 . 1 1 93 93 GLU H H 94 8.140 8.140 8.303 -0.163 18282 4793 1 8 . 1 1 94 94 VAL N N 95 121.304 121.304 120.086 1.218 18282 4794 1 8 . 1 1 94 94 VAL HA H 95 3.773 3.773 4.012 -0.239 18282 4795 1 8 . 1 1 94 94 VAL CA C 95 62.257 62.257 62.407 -0.151 18282 4796 1 8 . 1 1 94 94 VAL CB C 95 32.047 32.047 32.350 -0.303 18282 4797 1 8 . 1 1 94 94 VAL H H 95 8.003 8.003 7.408 0.595 18282 4798 1 8 . 1 1 95 95 ASN H H 96 7.518 7.518 8.621 -1.103 18282 4799 1 8 . 1 1 96 96 PRO HA H 97 4.319 4.319 4.050 0.269 18282 4800 1 8 . 1 1 96 96 PRO C C 97 179.088 179.088 178.349 0.739 18282 4801 1 8 . 1 1 96 96 PRO CA C 97 64.963 64.963 65.484 -0.521 18282 4802 1 8 . 1 1 96 96 PRO CB C 97 32.035 32.035 31.693 0.342 18282 4803 1 8 . 1 1 97 97 GLN N N 98 117.793 117.793 117.684 0.109 18282 4804 1 8 . 1 1 97 97 GLN HA H 98 3.952 3.952 4.131 -0.179 18282 4805 1 8 . 1 1 97 97 GLN C C 98 179.272 179.272 178.272 1.000 18282 4806 1 8 . 1 1 97 97 GLN CA C 98 55.691 55.691 58.993 -3.302 18282 4807 1 8 . 1 1 97 97 GLN CB C 98 28.378 28.378 28.191 0.187 18282 4808 1 8 . 1 1 97 97 GLN H H 98 8.351 8.351 8.700 -0.349 18282 4809 1 8 . 1 1 98 98 VAL N N 99 121.247 121.247 119.393 1.854 18282 4810 1 8 . 1 1 98 98 VAL HA H 99 3.440 3.440 3.660 -0.220 18282 4811 1 8 . 1 1 98 98 VAL CA C 99 67.776 67.776 66.037 1.740 18282 4812 1 8 . 1 1 98 98 VAL CB C 99 31.574 31.574 31.650 -0.076 18282 4813 1 8 . 1 1 98 98 VAL H H 99 7.901 7.901 7.896 0.005 18282 4814 1 8 . 1 1 100 100 ALA HA H 101 4.218 4.218 4.124 0.094 18282 4815 1 8 . 1 1 100 100 ALA C C 101 179.599 179.599 179.298 0.301 18282 4816 1 8 . 1 1 100 100 ALA CA C 101 54.685 54.685 54.853 -0.168 18282 4817 1 8 . 1 1 100 100 ALA CB C 101 17.562 17.562 17.977 -0.414 18282 4818 1 8 . 1 1 101 101 ALA N N 102 119.533 119.533 121.369 -1.836 18282 4819 1 8 . 1 1 101 101 ALA HA H 102 4.005 4.005 4.404 -0.399 18282 4820 1 8 . 1 1 101 101 ALA C C 102 180.970 180.970 179.384 1.586 18282 4821 1 8 . 1 1 101 101 ALA CA C 102 55.013 55.013 54.075 0.938 18282 4822 1 8 . 1 1 101 101 ALA CB C 102 17.422 17.422 18.279 -0.857 18282 4823 1 8 . 1 1 101 101 ALA H H 102 7.559 7.559 7.885 -0.326 18282 4824 1 8 . 1 1 102 102 VAL N N 103 122.669 122.669 117.935 4.734 18282 4825 1 8 . 1 1 102 102 VAL HA H 103 4.087 4.087 3.751 0.336 18282 4826 1 8 . 1 1 102 102 VAL C C 103 175.666 175.666 176.766 -1.100 18282 4827 1 8 . 1 1 102 102 VAL CA C 103 61.850 61.850 64.857 -3.007 18282 4828 1 8 . 1 1 102 102 VAL CB C 103 32.576 32.576 30.894 1.682 18282 4829 1 8 . 1 1 102 102 VAL H H 103 8.851 8.851 7.738 1.113 18282 4830 1 8 . 1 1 103 103 ALA N N 104 128.048 128.048 120.340 7.708 18282 4831 1 8 . 1 1 103 103 ALA HA H 104 4.288 4.288 4.145 0.143 18282 4832 1 8 . 1 1 103 103 ALA C C 104 177.344 177.344 178.207 -0.863 18282 4833 1 8 . 1 1 103 103 ALA CA C 104 52.194 52.194 53.145 -0.952 18282 4834 1 8 . 1 1 103 103 ALA CB C 104 19.021 19.021 19.148 -0.127 18282 4835 1 8 . 1 1 103 103 ALA H H 104 8.374 8.374 7.361 1.013 18282 4836 1 8 . 1 1 104 104 GLN N N 105 120.285 120.285 118.649 1.636 18282 4837 1 8 . 1 1 104 104 GLN HA H 105 4.281 4.281 4.173 0.108 18282 4838 1 8 . 1 1 104 104 GLN CA C 105 55.656 55.656 56.184 -0.529 18282 4839 1 8 . 1 1 104 104 GLN CB C 105 32.581 32.581 27.377 5.204 18282 4840 1 8 . 1 1 104 104 GLN H H 105 8.374 8.374 7.817 0.557 18282 4841 1 8 . 1 1 105 105 THR HA H 106 4.293 4.293 4.096 0.197 18282 4842 1 8 . 1 1 105 105 THR C C 106 174.384 174.384 175.281 -0.897 18282 4843 1 8 . 1 1 105 105 THR CA C 106 61.663 61.663 64.882 -3.219 18282 4844 1 8 . 1 1 105 105 THR CB C 106 69.458 69.458 69.302 0.156 18282 4845 1 8 . 1 1 106 106 GLU N N 107 122.744 122.744 120.507 2.237 18282 4846 1 8 . 1 1 106 106 GLU HA H 107 4.241 4.241 4.528 -0.287 18282 4847 1 8 . 1 1 106 106 GLU C C 107 176.331 176.331 175.088 1.243 18282 4848 1 8 . 1 1 106 106 GLU CA C 107 56.621 56.621 55.339 1.282 18282 4849 1 8 . 1 1 106 106 GLU CB C 107 30.004 30.004 31.705 -1.701 18282 4850 1 8 . 1 1 106 106 GLU H H 107 8.415 8.415 8.251 0.164 18282 4851 1 8 . 1 1 107 107 GLU N N 108 121.993 121.993 122.248 -0.255 18282 4852 1 8 . 1 1 107 107 GLU HA H 108 4.184 4.184 4.267 -0.083 18282 4853 1 8 . 1 1 107 107 GLU C C 108 176.404 176.404 178.293 -1.889 18282 4854 1 8 . 1 1 107 107 GLU CA C 108 56.721 56.721 56.251 0.470 18282 4855 1 8 . 1 1 107 107 GLU CB C 108 29.770 29.770 30.400 -0.630 18282 4856 1 8 . 1 1 107 107 GLU H H 108 8.334 8.334 8.582 -0.248 18282 4857 1 8 . 1 1 108 108 ILE N N 109 122.204 122.204 121.211 0.993 18282 4858 1 8 . 1 1 108 108 ILE HA H 109 4.052 4.052 3.854 0.198 18282 4859 1 8 . 1 1 108 108 ILE C C 109 176.261 176.261 175.645 0.616 18282 4860 1 8 . 1 1 108 108 ILE CA C 109 61.245 61.245 63.432 -2.187 18282 4861 1 8 . 1 1 108 108 ILE CB C 109 38.157 38.157 37.701 0.456 18282 4862 1 8 . 1 1 108 108 ILE H H 109 8.068 8.068 8.726 -0.658 18282 4863 1 8 . 1 1 109 109 LEU N N 110 125.608 125.608 119.376 6.232 18282 4864 1 8 . 1 1 109 109 LEU HA H 110 4.295 4.295 4.414 -0.119 18282 4865 1 8 . 1 1 109 109 LEU C C 110 177.275 177.275 176.328 0.947 18282 4866 1 8 . 1 1 109 109 LEU CA C 110 55.103 55.103 54.361 0.742 18282 4867 1 8 . 1 1 109 109 LEU CB C 110 41.929 41.929 41.936 -0.007 18282 4868 1 8 . 1 1 109 109 LEU H H 110 8.187 8.187 7.432 0.755 18282 4869 1 8 . 1 1 110 110 LYS N N 111 122.154 122.154 120.367 1.787 18282 4870 1 8 . 1 1 110 110 LYS HA H 111 4.278 4.278 4.467 -0.189 18282 4871 1 8 . 1 1 110 110 LYS C C 111 176.606 176.606 175.524 1.082 18282 4872 1 8 . 1 1 110 110 LYS CA C 111 56.125 56.125 55.875 0.250 18282 4873 1 8 . 1 1 110 110 LYS CB C 111 32.423 32.423 34.221 -1.798 18282 4874 1 8 . 1 1 110 110 LYS H H 111 8.206 8.206 7.878 0.328 18282 4875 1 8 . 1 1 111 111 SER N N 112 116.381 116.381 123.333 -6.952 18282 4876 1 8 . 1 1 111 111 SER HA H 112 4.395 4.395 4.601 -0.206 18282 4877 1 8 . 1 1 111 111 SER C C 112 175.168 175.168 175.313 -0.145 18282 4878 1 8 . 1 1 111 111 SER CA C 112 58.456 58.456 57.831 0.625 18282 4879 1 8 . 1 1 111 111 SER CB C 112 63.495 63.495 63.640 -0.145 18282 4880 1 8 . 1 1 111 111 SER H H 112 8.217 8.217 8.250 -0.033 18282 4881 1 8 . 1 1 112 112 ASN N N 113 119.799 119.799 120.799 -1.000 18282 4882 1 8 . 1 1 112 112 ASN HA H 113 4.699 4.699 4.635 0.064 18282 4883 1 8 . 1 1 112 112 ASN C C 113 175.552 175.552 175.270 0.282 18282 4884 1 8 . 1 1 112 112 ASN CA C 113 53.592 53.592 54.462 -0.870 18282 4885 1 8 . 1 1 112 112 ASN CB C 113 38.772 38.772 38.999 -0.228 18282 4886 1 8 . 1 1 112 112 ASN H H 113 7.950 7.950 8.507 -0.557 18282 4887 1 8 . 1 1 113 113 SER N N 114 115.430 115.430 113.992 1.438 18282 4888 1 8 . 1 1 113 113 SER HA H 114 4.382 4.382 4.710 -0.328 18282 4889 1 8 . 1 1 113 113 SER C C 114 174.558 174.558 172.749 1.809 18282 4890 1 8 . 1 1 113 113 SER CA C 114 58.919 58.919 57.592 1.327 18282 4891 1 8 . 1 1 113 113 SER CB C 114 63.494 63.494 65.299 -1.804 18282 4892 1 8 . 1 1 113 113 SER H H 114 7.970 7.970 7.947 0.024 18282 4893 1 8 . 1 1 114 114 GLN N N 115 121.973 121.973 123.966 -1.993 18282 4894 1 8 . 1 1 114 114 GLN HA H 115 4.347 4.347 4.393 -0.046 18282 4895 1 8 . 1 1 114 114 GLN C C 115 176.246 176.246 176.217 0.029 18282 4896 1 8 . 1 1 114 114 GLN CA C 115 56.036 56.036 55.389 0.647 18282 4897 1 8 . 1 1 114 114 GLN CB C 115 29.196 29.196 28.231 0.965 18282 4898 1 8 . 1 1 114 114 GLN H H 115 8.382 8.382 8.783 -0.401 18282 4899 1 8 . 1 1 115 115 THR N N 116 114.701 114.701 118.805 -4.104 18282 4900 1 8 . 1 1 115 115 THR HA H 116 4.238 4.238 4.023 0.215 18282 4901 1 8 . 1 1 115 115 THR C C 116 174.276 174.276 175.225 -0.949 18282 4902 1 8 . 1 1 115 115 THR CA C 116 62.221 62.221 65.040 -2.819 18282 4903 1 8 . 1 1 115 115 THR CB C 116 69.405 69.405 68.963 0.441 18282 4904 1 8 . 1 1 115 115 THR H H 116 8.070 8.070 8.045 0.025 18282 4905 1 8 . 1 1 116 116 ASP N N 117 122.566 122.566 119.733 2.833 18282 4906 1 8 . 1 1 116 116 ASP HA H 117 4.575 4.575 4.501 0.074 18282 4907 1 8 . 1 1 116 116 ASP C C 117 176.241 176.241 175.392 0.849 18282 4908 1 8 . 1 1 116 116 ASP CA C 117 54.286 54.286 56.118 -1.832 18282 4909 1 8 . 1 1 116 116 ASP CB C 117 40.609 40.609 40.982 -0.373 18282 4910 1 8 . 1 1 116 116 ASP H H 117 8.288 8.288 8.568 -0.280 18282 4911 1 8 . 1 1 117 117 LEU N N 118 122.118 122.118 119.842 2.276 18282 4912 1 8 . 1 1 117 117 LEU HA H 118 4.163 4.163 4.554 -0.391 18282 4913 1 8 . 1 1 117 117 LEU C C 118 177.637 177.637 175.685 1.952 18282 4914 1 8 . 1 1 117 117 LEU CA C 118 55.475 55.475 53.802 1.673 18282 4915 1 8 . 1 1 117 117 LEU CB C 118 41.964 41.964 43.764 -1.800 18282 4916 1 8 . 1 1 117 117 LEU H H 118 8.088 8.088 7.733 0.355 18282 4917 1 8 . 1 1 118 118 GLU N N 119 119.527 119.527 123.512 -3.985 18282 4918 1 8 . 1 1 118 118 GLU HA H 119 4.086 4.086 4.502 -0.416 18282 4919 1 8 . 1 1 118 118 GLU C C 119 176.265 176.265 175.231 1.034 18282 4920 1 8 . 1 1 118 118 GLU CA C 119 56.569 56.569 55.470 1.099 18282 4921 1 8 . 1 1 118 118 GLU CB C 119 29.486 29.486 31.224 -1.738 18282 4922 1 8 . 1 1 118 118 GLU H H 119 8.134 8.134 8.461 -0.327 18282 4923 1 8 . 1 1 119 119 HIS N N 120 118.076 118.076 121.863 -3.787 18282 4924 1 8 . 1 1 119 119 HIS HA H 120 4.485 4.485 4.600 -0.115 18282 4925 1 8 . 1 1 119 119 HIS CA C 120 55.422 55.422 55.233 0.189 18282 4926 1 8 . 1 1 119 119 HIS CB C 120 28.628 28.628 31.211 -2.583 18282 4927 1 8 . 1 1 119 119 HIS H H 120 8.134 8.134 8.396 -0.262 18282 4928 1 8 . 1 1 120 120 HIS N N 121 119.323 119.323 120.243 -0.920 18282 4929 1 8 . 1 1 120 120 HIS HA H 121 4.242 4.242 4.776 -0.534 18282 4930 1 8 . 1 1 120 120 HIS CA C 121 56.732 56.732 55.711 1.021 18282 4931 1 8 . 1 1 120 120 HIS H H 121 8.372 8.372 8.559 -0.187 18282 4932 1 8 . 1 1 121 121 HIS N N 122 126.032 126.032 120.489 5.543 18282 4933 1 8 . 1 1 121 121 HIS CA C 122 57.036 57.036 57.891 -0.855 18282 4934 1 8 . 1 1 121 121 HIS CB C 122 29.923 29.923 30.180 -0.257 18282 4935 1 8 . 1 1 121 121 HIS H H 122 7.900 7.900 8.653 -0.753 18282 4936 1 8 . 1 1 122 122 HIS N N 123 121.012 121.012 115.802 5.210 18282 4937 1 8 . 1 1 122 122 HIS HA H 123 4.595 4.595 4.858 -0.263 18282 4938 1 8 . 1 1 122 122 HIS CA C 123 55.372 55.372 54.993 0.379 18282 4939 1 8 . 1 1 122 122 HIS CB C 123 29.165 29.165 31.672 -2.507 18282 4940 1 8 . 1 1 122 122 HIS H H 123 8.595 8.595 7.917 0.678 18282 4941 1 8 . 1 1 123 123 HIS N N 124 120.343 120.343 121.083 -0.740 18282 4942 1 8 . 1 1 123 123 HIS CA C 124 57.380 57.380 57.986 -0.606 18282 4943 1 8 . 1 1 123 123 HIS CB C 124 35.491 35.491 30.607 4.884 18282 4944 1 8 . 1 1 123 123 HIS H H 124 8.558 8.558 8.888 -0.330 18282 4945 1 9 . 1 1 2 2 GLN N N 3 122.228 122.228 119.550 2.678 18282 4946 1 9 . 1 1 2 2 GLN HA H 3 3.896 3.896 3.827 0.069 18282 4947 1 9 . 1 1 2 2 GLN C C 3 178.672 178.672 176.179 2.493 18282 4948 1 9 . 1 1 2 2 GLN CA C 3 58.794 58.794 58.578 0.216 18282 4949 1 9 . 1 1 2 2 GLN H H 3 9.310 9.310 8.671 0.639 18282 4950 1 9 . 1 1 3 3 GLU N N 4 119.529 119.529 119.604 -0.075 18282 4951 1 9 . 1 1 3 3 GLU C C 4 175.504 175.504 177.950 -2.446 18282 4952 1 9 . 1 1 3 3 GLU CA C 4 59.561 59.561 58.558 1.003 18282 4953 1 9 . 1 1 3 3 GLU CB C 4 28.876 28.876 29.357 -0.481 18282 4954 1 9 . 1 1 3 3 GLU H H 4 8.489 8.489 8.504 -0.015 18282 4955 1 9 . 1 1 4 4 LEU N N 5 114.832 114.832 115.555 -0.723 18282 4956 1 9 . 1 1 4 4 LEU HA H 5 3.716 3.716 4.835 -1.119 18282 4957 1 9 . 1 1 4 4 LEU C C 5 178.276 178.276 178.615 -0.339 18282 4958 1 9 . 1 1 4 4 LEU CA C 5 57.813 57.813 57.229 0.584 18282 4959 1 9 . 1 1 4 4 LEU CB C 5 40.844 40.844 42.047 -1.203 18282 4960 1 9 . 1 1 4 4 LEU H H 5 8.210 8.210 7.787 0.423 18282 4961 1 9 . 1 1 5 5 SER N N 6 109.726 109.726 116.570 -6.844 18282 4962 1 9 . 1 1 5 5 SER HA H 6 4.127 4.127 4.029 0.098 18282 4963 1 9 . 1 1 5 5 SER C C 6 178.508 178.508 177.030 1.478 18282 4964 1 9 . 1 1 5 5 SER CA C 6 60.401 60.401 62.279 -1.877 18282 4965 1 9 . 1 1 5 5 SER CB C 6 63.535 63.535 62.284 1.251 18282 4966 1 9 . 1 1 5 5 SER H H 6 8.247 8.247 8.883 -0.636 18282 4967 1 9 . 1 1 6 6 GLN N N 7 117.203 117.203 119.650 -2.447 18282 4968 1 9 . 1 1 6 6 GLN HA H 7 4.026 4.026 4.057 -0.031 18282 4969 1 9 . 1 1 6 6 GLN CA C 7 58.474 58.474 58.579 -0.105 18282 4970 1 9 . 1 1 6 6 GLN H H 7 8.719 8.719 8.242 0.477 18282 4971 1 9 . 1 1 7 7 HIS C C 8 178.622 178.622 178.036 0.586 18282 4972 1 9 . 1 1 8 8 GLU N N 9 120.357 120.357 118.976 1.381 18282 4973 1 9 . 1 1 8 8 GLU HA H 9 3.969 3.969 4.075 -0.106 18282 4974 1 9 . 1 1 8 8 GLU C C 9 178.408 178.408 179.172 -0.764 18282 4975 1 9 . 1 1 8 8 GLU CA C 9 58.244 58.244 59.333 -1.089 18282 4976 1 9 . 1 1 8 8 GLU CB C 9 29.013 29.013 29.230 -0.217 18282 4977 1 9 . 1 1 8 8 GLU H H 9 7.701 7.701 8.761 -1.060 18282 4978 1 9 . 1 1 9 9 ARG N N 10 118.791 118.791 118.945 -0.154 18282 4979 1 9 . 1 1 9 9 ARG HA H 10 4.124 4.124 4.097 0.027 18282 4980 1 9 . 1 1 9 9 ARG C C 10 178.599 178.599 178.708 -0.109 18282 4981 1 9 . 1 1 9 9 ARG CA C 10 58.633 58.633 59.162 -0.529 18282 4982 1 9 . 1 1 9 9 ARG CB C 10 29.005 29.005 30.313 -1.308 18282 4983 1 9 . 1 1 9 9 ARG H H 10 8.910 8.910 8.576 0.334 18282 4984 1 9 . 1 1 10 10 TYR N N 11 121.239 121.239 120.672 0.567 18282 4985 1 9 . 1 1 10 10 TYR HA H 11 4.186 4.186 4.102 0.084 18282 4986 1 9 . 1 1 10 10 TYR C C 11 176.644 176.644 177.307 -0.663 18282 4987 1 9 . 1 1 10 10 TYR CA C 11 61.311 61.311 60.904 0.407 18282 4988 1 9 . 1 1 10 10 TYR CB C 11 37.956 37.956 38.080 -0.124 18282 4989 1 9 . 1 1 10 10 TYR H H 11 7.562 7.562 7.727 -0.165 18282 4990 1 9 . 1 1 11 11 VAL N N 12 119.249 119.249 117.318 1.931 18282 4991 1 9 . 1 1 11 11 VAL HA H 12 3.119 3.119 3.453 -0.334 18282 4992 1 9 . 1 1 11 11 VAL C C 12 177.275 177.275 178.194 -0.919 18282 4993 1 9 . 1 1 11 11 VAL CA C 12 66.925 66.925 65.961 0.964 18282 4994 1 9 . 1 1 11 11 VAL CB C 12 30.981 30.981 31.628 -0.646 18282 4995 1 9 . 1 1 11 11 VAL H H 12 8.087 8.087 7.556 0.531 18282 4996 1 9 . 1 1 12 12 GLU N N 13 119.569 119.569 118.554 1.015 18282 4997 1 9 . 1 1 12 12 GLU HA H 13 4.213 4.213 3.982 0.231 18282 4998 1 9 . 1 1 12 12 GLU C C 13 175.207 175.207 179.011 -3.804 18282 4999 1 9 . 1 1 12 12 GLU CA C 13 55.971 55.971 59.148 -3.177 18282 5000 1 9 . 1 1 12 12 GLU CB C 13 28.439 28.439 29.444 -1.005 18282 5001 1 9 . 1 1 12 12 GLU H H 13 8.312 8.312 8.012 0.300 18282 5002 1 9 . 1 1 13 13 GLN N N 14 119.375 119.375 119.126 0.249 18282 5003 1 9 . 1 1 13 13 GLN HA H 14 3.657 3.657 4.022 -0.365 18282 5004 1 9 . 1 1 13 13 GLN CA C 14 54.294 54.294 58.894 -4.600 18282 5005 1 9 . 1 1 13 13 GLN CB C 14 29.681 29.681 28.267 1.413 18282 5006 1 9 . 1 1 13 13 GLN H H 14 7.690 7.690 8.472 -0.782 18282 5007 1 9 . 1 1 14 14 LEU HA H 15 3.865 3.865 4.115 -0.250 18282 5008 1 9 . 1 1 14 14 LEU CA C 15 58.177 58.177 57.199 0.978 18282 5009 1 9 . 1 1 14 14 LEU CB C 15 40.693 40.693 41.273 -0.580 18282 5010 1 9 . 1 1 15 15 LYS HA H 16 3.737 3.737 3.831 -0.094 18282 5011 1 9 . 1 1 15 15 LYS C C 16 177.817 177.817 179.314 -1.497 18282 5012 1 9 . 1 1 15 15 LYS CA C 16 60.352 60.352 59.555 0.797 18282 5013 1 9 . 1 1 15 15 LYS CB C 16 32.106 32.106 31.965 0.141 18282 5014 1 9 . 1 1 16 16 GLN N N 17 117.498 117.498 118.565 -1.067 18282 5015 1 9 . 1 1 16 16 GLN HA H 17 3.864 3.864 3.942 -0.078 18282 5016 1 9 . 1 1 16 16 GLN CA C 17 58.307 58.307 58.778 -0.471 18282 5017 1 9 . 1 1 16 16 GLN CB C 17 27.788 27.788 28.646 -0.859 18282 5018 1 9 . 1 1 16 16 GLN H H 17 7.862 7.862 8.542 -0.680 18282 5019 1 9 . 1 1 17 17 ALA HA H 18 3.793 3.793 4.048 -0.255 18282 5020 1 9 . 1 1 17 17 ALA C C 18 179.147 179.147 179.610 -0.463 18282 5021 1 9 . 1 1 17 17 ALA CA C 18 54.792 54.792 54.690 0.102 18282 5022 1 9 . 1 1 17 17 ALA CB C 18 17.693 17.693 18.213 -0.520 18282 5023 1 9 . 1 1 18 18 LEU N N 19 117.278 117.278 117.418 -0.140 18282 5024 1 9 . 1 1 18 18 LEU HA H 19 3.784 3.784 4.046 -0.262 18282 5025 1 9 . 1 1 18 18 LEU C C 19 174.935 174.935 178.485 -3.550 18282 5026 1 9 . 1 1 18 18 LEU CA C 19 57.731 57.731 56.485 1.246 18282 5027 1 9 . 1 1 18 18 LEU CB C 19 40.703 40.703 41.872 -1.169 18282 5028 1 9 . 1 1 18 18 LEU H H 19 8.168 8.168 7.413 0.755 18282 5029 1 9 . 1 1 19 19 LYS N N 20 118.025 118.025 120.934 -2.909 18282 5030 1 9 . 1 1 19 19 LYS C C 20 177.982 177.982 179.393 -1.411 18282 5031 1 9 . 1 1 19 19 LYS CA C 20 60.439 60.439 59.368 1.071 18282 5032 1 9 . 1 1 19 19 LYS H H 20 8.345 8.345 7.787 0.558 18282 5033 1 9 . 1 1 20 20 THR N N 21 116.345 116.345 112.968 3.377 18282 5034 1 9 . 1 1 20 20 THR HA H 21 4.126 4.126 4.117 0.009 18282 5035 1 9 . 1 1 20 20 THR C C 21 175.469 175.469 176.181 -0.712 18282 5036 1 9 . 1 1 20 20 THR CA C 21 64.643 64.643 64.694 -0.051 18282 5037 1 9 . 1 1 20 20 THR CB C 21 68.652 68.652 68.850 -0.198 18282 5038 1 9 . 1 1 20 20 THR H H 21 7.896 7.896 7.804 0.092 18282 5039 1 9 . 1 1 21 21 ARG N N 22 118.792 118.792 119.028 -0.236 18282 5040 1 9 . 1 1 21 21 ARG HA H 22 4.375 4.375 4.175 0.200 18282 5041 1 9 . 1 1 21 21 ARG C C 22 176.364 176.364 176.850 -0.486 18282 5042 1 9 . 1 1 21 21 ARG CA C 22 54.157 54.157 55.604 -1.447 18282 5043 1 9 . 1 1 21 21 ARG CB C 22 29.453 29.453 29.834 -0.381 18282 5044 1 9 . 1 1 21 21 ARG H H 22 7.317 7.317 7.677 -0.360 18282 5045 1 9 . 1 1 22 22 GLY N N 23 108.428 108.428 106.149 2.279 18282 5046 1 9 . 1 1 22 22 GLY C C 23 174.154 174.154 174.112 0.042 18282 5047 1 9 . 1 1 22 22 GLY CA C 23 45.953 45.953 44.862 1.091 18282 5048 1 9 . 1 1 22 22 GLY H H 23 7.881 7.881 7.710 0.171 18282 5049 1 9 . 1 1 23 23 VAL N N 24 117.319 117.319 119.371 -2.052 18282 5050 1 9 . 1 1 23 23 VAL HA H 24 4.036 4.036 4.390 -0.354 18282 5051 1 9 . 1 1 23 23 VAL C C 24 175.601 175.601 175.646 -0.045 18282 5052 1 9 . 1 1 23 23 VAL CA C 24 61.635 61.635 61.072 0.563 18282 5053 1 9 . 1 1 23 23 VAL CB C 24 32.589 32.589 34.260 -1.671 18282 5054 1 9 . 1 1 23 23 VAL H H 24 7.431 7.431 7.547 -0.116 18282 5055 1 9 . 1 1 24 24 LYS N N 25 127.424 127.424 122.161 5.263 18282 5056 1 9 . 1 1 24 24 LYS HA H 25 4.336 4.336 4.733 -0.397 18282 5057 1 9 . 1 1 24 24 LYS C C 25 175.550 175.550 174.918 0.632 18282 5058 1 9 . 1 1 24 24 LYS CA C 25 55.811 55.811 55.359 0.452 18282 5059 1 9 . 1 1 24 24 LYS CB C 25 32.269 32.269 34.077 -1.808 18282 5060 1 9 . 1 1 24 24 LYS H H 25 8.665 8.665 8.345 0.320 18282 5061 1 9 . 1 1 25 25 VAL N N 26 120.764 120.764 119.430 1.334 18282 5062 1 9 . 1 1 25 25 VAL HA H 26 4.140 4.140 4.546 -0.406 18282 5063 1 9 . 1 1 25 25 VAL C C 26 174.206 174.206 174.929 -0.723 18282 5064 1 9 . 1 1 25 25 VAL CA C 26 60.316 60.316 60.683 -0.367 18282 5065 1 9 . 1 1 25 25 VAL CB C 26 33.920 33.920 33.963 -0.043 18282 5066 1 9 . 1 1 25 25 VAL H H 26 7.545 7.545 8.208 -0.663 18282 5067 1 9 . 1 1 26 26 LYS N N 27 125.707 125.707 123.137 2.570 18282 5068 1 9 . 1 1 26 26 LYS HA H 27 4.115 4.115 4.583 -0.468 18282 5069 1 9 . 1 1 26 26 LYS CA C 27 55.211 55.211 54.356 0.855 18282 5070 1 9 . 1 1 26 26 LYS CB C 27 31.930 31.930 34.141 -2.211 18282 5071 1 9 . 1 1 26 26 LYS H H 27 8.608 8.608 8.025 0.583 18282 5072 1 9 . 1 1 27 27 TYR CA C 28 56.418 56.418 61.722 -5.304 18282 5073 1 9 . 1 1 27 27 TYR CB C 28 37.036 37.036 36.930 0.106 18282 5074 1 9 . 1 1 28 28 ALA N N 29 120.712 120.712 121.174 -0.462 18282 5075 1 9 . 1 1 28 28 ALA HA H 29 3.712 3.712 4.037 -0.325 18282 5076 1 9 . 1 1 28 28 ALA C C 29 180.210 180.210 179.688 0.522 18282 5077 1 9 . 1 1 28 28 ALA CA C 29 54.911 54.911 54.686 0.225 18282 5078 1 9 . 1 1 28 28 ALA CB C 29 18.034 18.034 17.519 0.515 18282 5079 1 9 . 1 1 28 28 ALA H H 29 8.326 8.326 8.443 -0.117 18282 5080 1 9 . 1 1 29 29 ASP N N 30 117.166 117.166 119.402 -2.236 18282 5081 1 9 . 1 1 29 29 ASP HA H 30 4.379 4.379 4.439 -0.060 18282 5082 1 9 . 1 1 29 29 ASP C C 30 178.427 178.427 178.628 -0.201 18282 5083 1 9 . 1 1 29 29 ASP CA C 30 56.459 56.459 57.358 -0.898 18282 5084 1 9 . 1 1 29 29 ASP CB C 30 39.962 39.962 40.265 -0.303 18282 5085 1 9 . 1 1 29 29 ASP H H 30 6.913 6.913 8.570 -1.657 18282 5086 1 9 . 1 1 30 30 LEU N N 31 123.105 123.105 120.356 2.749 18282 5087 1 9 . 1 1 30 30 LEU HA H 31 3.491 3.491 4.161 -0.670 18282 5088 1 9 . 1 1 30 30 LEU CA C 31 56.841 56.841 58.038 -1.196 18282 5089 1 9 . 1 1 30 30 LEU CB C 31 40.888 40.888 41.951 -1.063 18282 5090 1 9 . 1 1 30 30 LEU H H 31 7.543 7.543 7.558 -0.015 18282 5091 1 9 . 1 1 31 31 LEU HA H 32 3.611 3.611 3.973 -0.362 18282 5092 1 9 . 1 1 31 31 LEU C C 32 179.120 179.120 179.742 -0.622 18282 5093 1 9 . 1 1 31 31 LEU CA C 32 58.103 58.103 58.072 0.031 18282 5094 1 9 . 1 1 31 31 LEU CB C 32 40.594 40.594 41.377 -0.783 18282 5095 1 9 . 1 1 32 32 LYS N N 33 118.074 118.074 118.939 -0.865 18282 5096 1 9 . 1 1 32 32 LYS HA H 33 4.202 4.202 4.207 -0.005 18282 5097 1 9 . 1 1 32 32 LYS C C 33 180.044 180.044 179.062 0.982 18282 5098 1 9 . 1 1 32 32 LYS CA C 33 59.081 59.081 59.029 0.052 18282 5099 1 9 . 1 1 32 32 LYS CB C 33 31.735 31.735 32.887 -1.152 18282 5100 1 9 . 1 1 32 32 LYS H H 33 7.189 7.189 7.761 -0.572 18282 5101 1 9 . 1 1 33 33 PHE N N 34 122.977 122.977 120.557 2.420 18282 5102 1 9 . 1 1 33 33 PHE CA C 34 60.402 60.402 61.899 -1.497 18282 5103 1 9 . 1 1 33 33 PHE H H 34 7.768 7.768 8.893 -1.125 18282 5104 1 9 . 1 1 34 34 PHE HA H 35 3.800 3.800 4.167 -0.367 18282 5105 1 9 . 1 1 34 34 PHE C C 35 176.355 176.355 177.372 -1.017 18282 5106 1 9 . 1 1 34 34 PHE CA C 35 61.813 61.813 61.564 0.249 18282 5107 1 9 . 1 1 34 34 PHE CB C 35 37.164 37.164 38.966 -1.802 18282 5108 1 9 . 1 1 35 35 ASP N N 36 119.969 119.969 119.692 0.277 18282 5109 1 9 . 1 1 35 35 ASP C C 36 177.087 177.087 178.860 -1.773 18282 5110 1 9 . 1 1 35 35 ASP CA C 36 58.278 58.278 56.551 1.727 18282 5111 1 9 . 1 1 35 35 ASP CB C 36 39.578 39.578 40.656 -1.077 18282 5112 1 9 . 1 1 35 35 ASP H H 36 8.338 8.338 7.946 0.392 18282 5113 1 9 . 1 1 36 36 PHE N N 37 122.901 122.901 121.330 1.571 18282 5114 1 9 . 1 1 36 36 PHE C C 37 178.788 178.788 176.620 2.168 18282 5115 1 9 . 1 1 36 36 PHE CA C 37 61.416 61.416 60.201 1.215 18282 5116 1 9 . 1 1 36 36 PHE CB C 37 38.369 38.369 39.077 -0.708 18282 5117 1 9 . 1 1 36 36 PHE H H 37 7.860 7.860 8.102 -0.242 18282 5118 1 9 . 1 1 37 37 VAL N N 38 122.329 122.329 114.513 7.816 18282 5119 1 9 . 1 1 37 37 VAL HA H 38 3.100 3.100 3.279 -0.179 18282 5120 1 9 . 1 1 37 37 VAL C C 38 176.147 176.147 177.497 -1.350 18282 5121 1 9 . 1 1 37 37 VAL CA C 38 67.153 67.153 64.941 2.212 18282 5122 1 9 . 1 1 37 37 VAL CB C 38 30.625 30.625 31.431 -0.806 18282 5123 1 9 . 1 1 37 37 VAL H H 38 8.451 8.451 7.640 0.811 18282 5124 1 9 . 1 1 38 38 LYS N N 39 118.837 118.837 119.385 -0.548 18282 5125 1 9 . 1 1 38 38 LYS HA H 39 3.473 3.473 3.730 -0.257 18282 5126 1 9 . 1 1 38 38 LYS C C 39 176.361 176.361 177.644 -1.283 18282 5127 1 9 . 1 1 38 38 LYS CA C 39 59.519 59.519 58.631 0.888 18282 5128 1 9 . 1 1 38 38 LYS CB C 39 31.628 31.628 31.768 -0.140 18282 5129 1 9 . 1 1 38 38 LYS H H 39 7.581 7.581 7.956 -0.375 18282 5130 1 9 . 1 1 39 39 ASP N N 40 116.210 116.210 118.061 -1.851 18282 5131 1 9 . 1 1 39 39 ASP HA H 40 4.261 4.261 4.403 -0.142 18282 5132 1 9 . 1 1 39 39 ASP CA C 40 56.580 56.580 56.529 0.051 18282 5133 1 9 . 1 1 39 39 ASP CB C 40 40.977 40.977 41.026 -0.049 18282 5134 1 9 . 1 1 39 39 ASP H H 40 8.052 8.052 7.660 0.392 18282 5135 1 9 . 1 1 40 40 THR N N 41 109.215 109.215 107.999 1.216 18282 5136 1 9 . 1 1 40 40 THR C C 41 174.559 174.559 174.770 -0.211 18282 5137 1 9 . 1 1 40 40 THR H H 41 7.232 7.232 7.463 -0.231 18282 5138 1 9 . 1 1 41 41 CYS N N 42 117.927 117.927 121.713 -3.786 18282 5139 1 9 . 1 1 41 41 CYS CA C 42 55.865 55.865 59.871 -4.006 18282 5140 1 9 . 1 1 41 41 CYS CB C 42 28.500 28.500 26.512 1.988 18282 5141 1 9 . 1 1 41 41 CYS H H 42 7.197 7.197 8.466 -1.269 18282 5142 1 9 . 1 1 42 42 PRO HA H 43 3.987 3.987 4.375 -0.388 18282 5143 1 9 . 1 1 42 42 PRO C C 43 176.688 176.688 176.905 -0.217 18282 5144 1 9 . 1 1 42 42 PRO CA C 43 65.206 65.206 64.019 1.187 18282 5145 1 9 . 1 1 42 42 PRO CB C 43 30.767 30.767 32.091 -1.324 18282 5146 1 9 . 1 1 43 43 TRP N N 44 113.805 113.805 118.963 -5.158 18282 5147 1 9 . 1 1 43 43 TRP HA H 44 4.361 4.361 4.577 -0.216 18282 5148 1 9 . 1 1 43 43 TRP C C 44 176.982 176.982 175.604 1.378 18282 5149 1 9 . 1 1 43 43 TRP CA C 44 61.758 61.758 57.940 3.818 18282 5150 1 9 . 1 1 43 43 TRP CB C 44 27.771 27.771 28.013 -0.242 18282 5151 1 9 . 1 1 43 43 TRP H H 44 6.632 6.632 7.942 -1.310 18282 5152 1 9 . 1 1 44 44 PHE N N 45 123.019 123.019 118.819 4.200 18282 5153 1 9 . 1 1 44 44 PHE HA H 45 4.043 4.043 4.129 -0.086 18282 5154 1 9 . 1 1 44 44 PHE CA C 45 62.990 62.990 57.638 5.352 18282 5155 1 9 . 1 1 44 44 PHE CB C 45 35.109 35.109 37.858 -2.749 18282 5156 1 9 . 1 1 44 44 PHE H H 45 7.302 7.302 7.705 -0.403 18282 5157 1 9 . 1 1 45 45 PRO HA H 46 4.015 4.015 4.287 -0.272 18282 5158 1 9 . 1 1 45 45 PRO C C 46 176.462 176.462 176.300 0.162 18282 5159 1 9 . 1 1 45 45 PRO CA C 46 64.582 64.582 63.506 1.076 18282 5160 1 9 . 1 1 45 45 PRO CB C 46 30.254 30.254 31.584 -1.330 18282 5161 1 9 . 1 1 46 46 GLN N N 47 114.404 114.404 117.621 -3.217 18282 5162 1 9 . 1 1 46 46 GLN HA H 47 3.941 3.941 3.799 0.142 18282 5163 1 9 . 1 1 46 46 GLN C C 47 177.234 177.234 176.297 0.937 18282 5164 1 9 . 1 1 46 46 GLN CA C 47 58.328 58.328 58.203 0.125 18282 5165 1 9 . 1 1 46 46 GLN CB C 47 28.471 28.471 27.642 0.829 18282 5166 1 9 . 1 1 46 46 GLN H H 47 6.544 6.544 7.512 -0.968 18282 5167 1 9 . 1 1 47 47 GLU N N 48 117.356 117.356 116.584 0.772 18282 5168 1 9 . 1 1 47 47 GLU HA H 48 4.085 4.085 4.263 -0.178 18282 5169 1 9 . 1 1 47 47 GLU C C 48 179.130 179.130 176.726 2.404 18282 5170 1 9 . 1 1 47 47 GLU CA C 48 58.215 58.215 56.307 1.908 18282 5171 1 9 . 1 1 47 47 GLU CB C 48 29.247 29.247 30.944 -1.697 18282 5172 1 9 . 1 1 47 47 GLU H H 48 7.710 7.710 7.537 0.173 18282 5173 1 9 . 1 1 48 48 GLY N N 49 105.456 105.456 108.575 -3.119 18282 5174 1 9 . 1 1 48 48 GLY C C 49 171.006 171.006 173.448 -2.442 18282 5175 1 9 . 1 1 48 48 GLY CA C 49 47.085 47.085 45.607 1.478 18282 5176 1 9 . 1 1 48 48 GLY H H 49 7.296 7.296 7.583 -0.287 18282 5177 1 9 . 1 1 49 49 THR N N 50 114.015 114.015 112.839 1.176 18282 5178 1 9 . 1 1 49 49 THR HA H 50 4.248 4.248 4.718 -0.470 18282 5179 1 9 . 1 1 49 49 THR CA C 50 61.830 61.830 59.804 2.026 18282 5180 1 9 . 1 1 49 49 THR CB C 50 70.692 70.692 71.031 -0.339 18282 5181 1 9 . 1 1 49 49 THR H H 50 7.599 7.599 7.428 0.171 18282 5182 1 9 . 1 1 50 50 ILE HA H 51 4.135 4.135 4.601 -0.466 18282 5183 1 9 . 1 1 50 50 ILE C C 51 172.608 172.608 174.767 -2.159 18282 5184 1 9 . 1 1 50 50 ILE CA C 51 59.075 59.075 61.774 -2.699 18282 5185 1 9 . 1 1 50 50 ILE CB C 51 35.416 35.416 38.888 -3.471 18282 5186 1 9 . 1 1 51 51 ASP N N 52 121.859 121.859 125.774 -3.915 18282 5187 1 9 . 1 1 51 51 ASP HA H 52 4.625 4.625 4.781 -0.156 18282 5188 1 9 . 1 1 51 51 ASP C C 52 175.770 175.770 175.382 0.388 18282 5189 1 9 . 1 1 51 51 ASP CA C 52 51.634 51.634 53.191 -1.557 18282 5190 1 9 . 1 1 51 51 ASP CB C 52 42.528 42.528 41.927 0.601 18282 5191 1 9 . 1 1 51 51 ASP H H 52 7.176 7.176 8.548 -1.372 18282 5192 1 9 . 1 1 52 52 ILE N N 53 119.549 119.549 122.011 -2.462 18282 5193 1 9 . 1 1 52 52 ILE HA H 53 4.150 4.150 4.190 -0.040 18282 5194 1 9 . 1 1 52 52 ILE C C 53 176.961 176.961 176.984 -0.023 18282 5195 1 9 . 1 1 52 52 ILE CA C 53 61.899 61.899 62.542 -0.643 18282 5196 1 9 . 1 1 52 52 ILE CB C 53 37.700 37.700 39.141 -1.441 18282 5197 1 9 . 1 1 52 52 ILE H H 53 8.777 8.777 8.602 0.175 18282 5198 1 9 . 1 1 53 53 LYS N N 54 123.515 123.515 120.903 2.612 18282 5199 1 9 . 1 1 53 53 LYS HA H 54 4.116 4.116 4.034 0.082 18282 5200 1 9 . 1 1 53 53 LYS C C 54 180.448 180.448 178.570 1.878 18282 5201 1 9 . 1 1 53 53 LYS CA C 54 59.934 59.934 59.804 0.129 18282 5202 1 9 . 1 1 53 53 LYS CB C 54 31.875 31.875 31.826 0.049 18282 5203 1 9 . 1 1 53 53 LYS H H 54 8.106 8.106 8.237 -0.131 18282 5204 1 9 . 1 1 54 54 ARG N N 55 120.371 120.371 119.891 0.480 18282 5205 1 9 . 1 1 54 54 ARG HA H 55 4.422 4.422 3.958 0.464 18282 5206 1 9 . 1 1 54 54 ARG C C 55 179.159 179.159 178.187 0.972 18282 5207 1 9 . 1 1 54 54 ARG CA C 55 59.726 59.726 59.012 0.714 18282 5208 1 9 . 1 1 54 54 ARG CB C 55 37.368 37.368 29.656 7.712 18282 5209 1 9 . 1 1 54 54 ARG H H 55 9.183 9.183 8.513 0.670 18282 5210 1 9 . 1 1 55 55 TRP N N 56 120.755 120.755 119.786 0.969 18282 5211 1 9 . 1 1 55 55 TRP HA H 56 4.747 4.747 3.856 0.891 18282 5212 1 9 . 1 1 55 55 TRP C C 56 179.954 179.954 176.791 3.163 18282 5213 1 9 . 1 1 55 55 TRP CA C 56 60.105 60.105 59.581 0.524 18282 5214 1 9 . 1 1 55 55 TRP CB C 56 29.997 29.997 28.767 1.230 18282 5215 1 9 . 1 1 55 55 TRP H H 56 8.927 8.927 8.237 0.690 18282 5216 1 9 . 1 1 56 56 ARG N N 57 122.194 122.194 118.469 3.725 18282 5217 1 9 . 1 1 56 56 ARG HA H 57 4.406 4.406 3.126 1.280 18282 5218 1 9 . 1 1 56 56 ARG C C 57 178.101 178.101 178.615 -0.514 18282 5219 1 9 . 1 1 56 56 ARG CA C 57 60.198 60.198 59.160 1.038 18282 5220 1 9 . 1 1 56 56 ARG CB C 57 29.585 29.585 29.407 0.178 18282 5221 1 9 . 1 1 56 56 ARG H H 57 9.220 9.220 7.354 1.866 18282 5222 1 9 . 1 1 57 57 ARG N N 58 120.674 120.674 119.565 1.109 18282 5223 1 9 . 1 1 57 57 ARG HA H 58 4.186 4.186 3.898 0.288 18282 5224 1 9 . 1 1 57 57 ARG C C 58 179.445 179.445 178.422 1.023 18282 5225 1 9 . 1 1 57 57 ARG CA C 58 59.832 59.832 59.797 0.035 18282 5226 1 9 . 1 1 57 57 ARG CB C 58 29.753 29.753 29.943 -0.190 18282 5227 1 9 . 1 1 57 57 ARG H H 58 7.605 7.605 7.323 0.282 18282 5228 1 9 . 1 1 58 58 VAL N N 59 121.833 121.833 118.976 2.857 18282 5229 1 9 . 1 1 58 58 VAL HA H 59 3.675 3.675 3.943 -0.268 18282 5230 1 9 . 1 1 58 58 VAL C C 59 176.565 176.565 177.741 -1.176 18282 5231 1 9 . 1 1 58 58 VAL CA C 59 65.920 65.920 65.682 0.238 18282 5232 1 9 . 1 1 58 58 VAL CB C 59 30.785 30.785 31.229 -0.444 18282 5233 1 9 . 1 1 58 58 VAL H H 59 7.819 7.819 7.378 0.441 18282 5234 1 9 . 1 1 59 59 GLY N N 60 106.521 106.521 107.946 -1.425 18282 5235 1 9 . 1 1 59 59 GLY C C 60 175.923 175.923 175.747 0.176 18282 5236 1 9 . 1 1 59 59 GLY CA C 60 45.982 45.982 46.937 -0.955 18282 5237 1 9 . 1 1 59 59 GLY H H 60 7.540 7.540 7.906 -0.366 18282 5238 1 9 . 1 1 60 60 ASP N N 61 123.066 123.066 123.564 -0.498 18282 5239 1 9 . 1 1 60 60 ASP HA H 61 4.261 4.261 4.464 -0.203 18282 5240 1 9 . 1 1 60 60 ASP C C 61 178.537 178.537 178.801 -0.264 18282 5241 1 9 . 1 1 60 60 ASP CA C 61 56.907 56.907 57.276 -0.368 18282 5242 1 9 . 1 1 60 60 ASP CB C 61 39.654 39.654 40.298 -0.644 18282 5243 1 9 . 1 1 60 60 ASP H H 61 8.197 8.197 8.405 -0.208 18282 5244 1 9 . 1 1 61 61 CYS N N 62 121.005 121.005 119.173 1.832 18282 5245 1 9 . 1 1 61 61 CYS C C 62 177.083 177.083 176.973 0.110 18282 5246 1 9 . 1 1 61 61 CYS CA C 62 62.380 62.380 64.698 -2.318 18282 5247 1 9 . 1 1 61 61 CYS CB C 62 26.011 26.011 27.709 -1.698 18282 5248 1 9 . 1 1 61 61 CYS H H 62 7.858 7.858 8.134 -0.276 18282 5249 1 9 . 1 1 62 62 PHE N N 63 119.362 119.362 118.711 0.651 18282 5250 1 9 . 1 1 62 62 PHE HA H 63 4.117 4.117 4.282 -0.165 18282 5251 1 9 . 1 1 62 62 PHE C C 63 178.081 178.081 177.970 0.111 18282 5252 1 9 . 1 1 62 62 PHE CA C 63 57.843 57.843 62.449 -4.606 18282 5253 1 9 . 1 1 62 62 PHE CB C 63 36.605 36.605 38.794 -2.189 18282 5254 1 9 . 1 1 62 62 PHE H H 63 8.530 8.530 8.069 0.461 18282 5255 1 9 . 1 1 63 63 GLN N N 64 118.829 118.829 119.768 -0.939 18282 5256 1 9 . 1 1 63 63 GLN HA H 64 4.199 4.199 4.092 0.107 18282 5257 1 9 . 1 1 63 63 GLN C C 64 177.645 177.645 178.242 -0.597 18282 5258 1 9 . 1 1 63 63 GLN CA C 64 59.094 59.094 59.471 -0.377 18282 5259 1 9 . 1 1 63 63 GLN CB C 64 28.337 28.337 28.510 -0.173 18282 5260 1 9 . 1 1 63 63 GLN H H 64 8.236 8.236 8.693 -0.457 18282 5261 1 9 . 1 1 64 64 ASP N N 65 120.234 120.234 120.962 -0.728 18282 5262 1 9 . 1 1 64 64 ASP HA H 65 4.481 4.481 4.487 -0.006 18282 5263 1 9 . 1 1 64 64 ASP CA C 65 57.301 57.301 56.906 0.396 18282 5264 1 9 . 1 1 64 64 ASP CB C 65 40.773 40.773 40.419 0.354 18282 5265 1 9 . 1 1 64 64 ASP H H 65 8.257 8.257 8.198 0.059 18282 5266 1 9 . 1 1 65 65 TYR HA H 66 4.598 4.598 4.367 0.231 18282 5267 1 9 . 1 1 65 65 TYR C C 66 178.524 178.524 178.588 -0.064 18282 5268 1 9 . 1 1 65 65 TYR CA C 66 60.355 60.355 61.155 -0.800 18282 5269 1 9 . 1 1 65 65 TYR CB C 66 37.796 37.796 38.668 -0.872 18282 5270 1 9 . 1 1 66 66 TYR N N 67 122.741 122.741 120.040 2.701 18282 5271 1 9 . 1 1 66 66 TYR HA H 67 4.044 4.044 4.221 -0.177 18282 5272 1 9 . 1 1 66 66 TYR C C 67 178.220 178.220 178.543 -0.323 18282 5273 1 9 . 1 1 66 66 TYR CA C 67 61.726 61.726 61.918 -0.192 18282 5274 1 9 . 1 1 66 66 TYR CB C 67 38.932 38.932 38.737 0.195 18282 5275 1 9 . 1 1 66 66 TYR H H 67 9.083 9.083 9.022 0.061 18282 5276 1 9 . 1 1 67 67 ASN N N 68 118.530 118.530 116.896 1.634 18282 5277 1 9 . 1 1 67 67 ASN HA H 68 4.378 4.378 4.475 -0.097 18282 5278 1 9 . 1 1 67 67 ASN C C 68 176.633 176.633 177.525 -0.892 18282 5279 1 9 . 1 1 67 67 ASN CA C 68 55.293 55.293 56.449 -1.156 18282 5280 1 9 . 1 1 67 67 ASN CB C 68 37.860 37.860 38.452 -0.592 18282 5281 1 9 . 1 1 67 67 ASN H H 68 8.796 8.796 8.754 0.042 18282 5282 1 9 . 1 1 68 68 THR N N 69 114.328 114.328 110.513 3.815 18282 5283 1 9 . 1 1 68 68 THR HA H 69 3.872 3.872 4.132 -0.260 18282 5284 1 9 . 1 1 68 68 THR C C 69 174.832 174.832 175.217 -0.385 18282 5285 1 9 . 1 1 68 68 THR CA C 69 65.224 65.224 64.600 0.624 18282 5286 1 9 . 1 1 68 68 THR CB C 69 69.484 69.484 68.495 0.989 18282 5287 1 9 . 1 1 68 68 THR H H 69 7.960 7.960 7.696 0.264 18282 5288 1 9 . 1 1 69 69 PHE N N 70 118.107 118.107 120.669 -2.562 18282 5289 1 9 . 1 1 69 69 PHE HA H 70 4.626 4.626 4.597 0.029 18282 5290 1 9 . 1 1 69 69 PHE C C 70 176.495 176.495 175.476 1.019 18282 5291 1 9 . 1 1 69 69 PHE CA C 70 58.409 58.409 57.757 0.652 18282 5292 1 9 . 1 1 69 69 PHE CB C 70 40.742 40.742 39.483 1.259 18282 5293 1 9 . 1 1 69 69 PHE H H 70 8.591 8.591 7.674 0.917 18282 5294 1 9 . 1 1 70 70 GLY N N 71 109.309 109.309 108.277 1.032 18282 5295 1 9 . 1 1 70 70 GLY CA C 71 44.684 44.684 45.600 -0.916 18282 5296 1 9 . 1 1 70 70 GLY H H 71 7.893 7.893 7.647 0.246 18282 5297 1 9 . 1 1 71 71 PRO HA H 72 4.691 4.691 4.584 0.107 18282 5298 1 9 . 1 1 71 71 PRO C C 72 177.772 177.772 175.908 1.864 18282 5299 1 9 . 1 1 71 71 PRO CA C 72 63.458 63.458 63.049 0.409 18282 5300 1 9 . 1 1 71 71 PRO CB C 72 31.823 31.823 31.904 -0.081 18282 5301 1 9 . 1 1 72 72 GLU N N 73 117.421 117.421 123.047 -5.626 18282 5302 1 9 . 1 1 72 72 GLU HA H 73 4.061 4.061 4.177 -0.116 18282 5303 1 9 . 1 1 72 72 GLU C C 73 177.236 177.236 177.416 -0.180 18282 5304 1 9 . 1 1 72 72 GLU CA C 73 58.570 58.570 58.395 0.175 18282 5305 1 9 . 1 1 72 72 GLU CB C 73 28.853 28.853 29.639 -0.785 18282 5306 1 9 . 1 1 72 72 GLU H H 73 8.595 8.595 8.481 0.114 18282 5307 1 9 . 1 1 73 73 LYS N N 74 116.846 116.846 118.655 -1.809 18282 5308 1 9 . 1 1 73 73 LYS HA H 74 4.381 4.381 4.364 0.017 18282 5309 1 9 . 1 1 73 73 LYS C C 74 175.662 175.662 175.643 0.019 18282 5310 1 9 . 1 1 73 73 LYS CA C 74 55.263 55.263 55.951 -0.688 18282 5311 1 9 . 1 1 73 73 LYS CB C 74 33.891 33.891 32.868 1.023 18282 5312 1 9 . 1 1 73 73 LYS H H 74 7.493 7.493 7.906 -0.413 18282 5313 1 9 . 1 1 74 74 VAL N N 75 118.056 118.056 118.921 -0.865 18282 5314 1 9 . 1 1 74 74 VAL HA H 75 4.423 4.423 4.029 0.394 18282 5315 1 9 . 1 1 74 74 VAL CA C 75 58.438 58.438 62.428 -3.990 18282 5316 1 9 . 1 1 74 74 VAL CB C 75 33.763 33.763 31.522 2.241 18282 5317 1 9 . 1 1 74 74 VAL H H 75 7.342 7.342 7.932 -0.590 18282 5318 1 9 . 1 1 75 75 PRO HA H 76 4.585 4.585 4.556 0.029 18282 5319 1 9 . 1 1 75 75 PRO C C 76 178.543 178.543 177.563 0.980 18282 5320 1 9 . 1 1 75 75 PRO CA C 76 61.911 61.911 63.173 -1.262 18282 5321 1 9 . 1 1 75 75 PRO CB C 76 32.035 32.035 32.438 -0.403 18282 5322 1 9 . 1 1 76 76 VAL N N 77 119.825 119.825 125.329 -5.504 18282 5323 1 9 . 1 1 76 76 VAL HA H 77 3.921 3.921 3.863 0.058 18282 5324 1 9 . 1 1 76 76 VAL CA C 77 65.316 65.316 64.439 0.877 18282 5325 1 9 . 1 1 76 76 VAL CB C 77 31.316 31.316 31.475 -0.159 18282 5326 1 9 . 1 1 76 76 VAL H H 77 8.604 8.604 8.430 0.174 18282 5327 1 9 . 1 1 77 77 THR N N 78 109.390 109.390 114.928 -5.538 18282 5328 1 9 . 1 1 77 77 THR HA H 78 3.914 3.914 4.037 -0.123 18282 5329 1 9 . 1 1 77 77 THR C C 78 175.732 175.732 175.531 0.201 18282 5330 1 9 . 1 1 77 77 THR CA C 78 62.803 62.803 65.680 -2.877 18282 5331 1 9 . 1 1 77 77 THR CB C 78 68.357 68.357 67.600 0.757 18282 5332 1 9 . 1 1 77 77 THR H H 78 7.380 7.380 8.260 -0.880 18282 5333 1 9 . 1 1 78 78 ALA N N 79 123.661 123.661 123.907 -0.246 18282 5334 1 9 . 1 1 78 78 ALA HA H 79 4.001 4.001 4.042 -0.041 18282 5335 1 9 . 1 1 78 78 ALA C C 79 179.527 179.527 178.569 0.958 18282 5336 1 9 . 1 1 78 78 ALA CA C 79 55.091 55.091 54.515 0.576 18282 5337 1 9 . 1 1 78 78 ALA CB C 79 17.561 17.561 18.203 -0.642 18282 5338 1 9 . 1 1 78 78 ALA H H 79 7.811 7.811 7.342 0.469 18282 5339 1 9 . 1 1 79 79 PHE N N 80 114.258 114.258 117.216 -2.958 18282 5340 1 9 . 1 1 79 79 PHE HA H 80 4.452 4.452 3.192 1.260 18282 5341 1 9 . 1 1 79 79 PHE C C 80 178.586 178.586 177.287 1.299 18282 5342 1 9 . 1 1 79 79 PHE CA C 80 61.656 61.656 60.452 1.204 18282 5343 1 9 . 1 1 79 79 PHE CB C 80 37.694 37.694 38.153 -0.459 18282 5344 1 9 . 1 1 79 79 PHE H H 80 7.306 7.306 8.860 -1.554 18282 5345 1 9 . 1 1 80 80 SER N N 81 116.865 116.865 115.948 0.917 18282 5346 1 9 . 1 1 80 80 SER CA C 81 61.824 61.824 61.986 -0.162 18282 5347 1 9 . 1 1 80 80 SER H H 81 7.733 7.733 7.697 0.036 18282 5348 1 9 . 1 1 81 81 TYR N N 82 121.932 121.932 122.782 -0.850 18282 5349 1 9 . 1 1 81 81 TYR HA H 82 4.133 4.133 4.240 -0.107 18282 5350 1 9 . 1 1 81 81 TYR C C 82 177.701 177.701 178.149 -0.448 18282 5351 1 9 . 1 1 81 81 TYR CA C 82 60.027 60.027 62.113 -2.086 18282 5352 1 9 . 1 1 81 81 TYR CB C 82 34.104 34.104 38.151 -4.047 18282 5353 1 9 . 1 1 81 81 TYR H H 82 8.151 8.151 7.478 0.673 18282 5354 1 9 . 1 1 82 82 TRP N N 83 120.817 120.817 117.061 3.756 18282 5355 1 9 . 1 1 82 82 TRP HA H 83 4.436 4.436 4.487 -0.051 18282 5356 1 9 . 1 1 82 82 TRP CA C 83 63.975 63.975 58.213 5.762 18282 5357 1 9 . 1 1 82 82 TRP CB C 83 28.557 28.557 28.301 0.256 18282 5358 1 9 . 1 1 82 82 TRP H H 83 8.645 8.645 7.689 0.956 18282 5359 1 9 . 1 1 83 83 ASN HA H 84 4.230 4.230 4.563 -0.333 18282 5360 1 9 . 1 1 83 83 ASN C C 84 176.140 176.140 178.010 -1.870 18282 5361 1 9 . 1 1 83 83 ASN CA C 84 56.683 56.683 56.356 0.327 18282 5362 1 9 . 1 1 83 83 ASN CB C 84 39.116 39.116 38.142 0.975 18282 5363 1 9 . 1 1 84 84 LEU N N 85 121.884 121.884 122.232 -0.348 18282 5364 1 9 . 1 1 84 84 LEU HA H 85 4.054 4.054 4.155 -0.101 18282 5365 1 9 . 1 1 84 84 LEU C C 85 178.369 178.369 178.555 -0.186 18282 5366 1 9 . 1 1 84 84 LEU CA C 85 58.228 58.228 58.425 -0.197 18282 5367 1 9 . 1 1 84 84 LEU CB C 85 41.576 41.576 42.246 -0.670 18282 5368 1 9 . 1 1 84 84 LEU H H 85 7.751 7.751 8.086 -0.335 18282 5369 1 9 . 1 1 85 85 ILE N N 86 116.825 116.825 118.896 -2.071 18282 5370 1 9 . 1 1 85 85 ILE HA H 86 3.462 3.462 3.686 -0.224 18282 5371 1 9 . 1 1 85 85 ILE C C 86 176.809 176.809 177.689 -0.880 18282 5372 1 9 . 1 1 85 85 ILE CA C 86 61.345 61.345 65.388 -4.043 18282 5373 1 9 . 1 1 85 85 ILE CB C 86 34.099 34.099 37.990 -3.892 18282 5374 1 9 . 1 1 85 85 ILE H H 86 7.952 7.952 8.724 -0.772 18282 5375 1 9 . 1 1 86 86 LYS N N 87 121.846 121.846 120.593 1.253 18282 5376 1 9 . 1 1 86 86 LYS HA H 87 3.231 3.231 4.052 -0.821 18282 5377 1 9 . 1 1 86 86 LYS C C 87 177.221 177.221 178.562 -1.341 18282 5378 1 9 . 1 1 86 86 LYS CA C 87 60.033 60.033 60.096 -0.063 18282 5379 1 9 . 1 1 86 86 LYS CB C 87 31.005 31.005 32.395 -1.390 18282 5380 1 9 . 1 1 86 86 LYS H H 87 7.876 7.876 8.237 -0.361 18282 5381 1 9 . 1 1 87 87 GLU N N 88 116.331 116.331 118.576 -2.245 18282 5382 1 9 . 1 1 87 87 GLU HA H 88 3.861 3.861 4.237 -0.376 18282 5383 1 9 . 1 1 87 87 GLU C C 88 178.810 178.810 178.863 -0.053 18282 5384 1 9 . 1 1 87 87 GLU CA C 88 58.949 58.949 58.177 0.772 18282 5385 1 9 . 1 1 87 87 GLU CB C 88 29.221 29.221 28.958 0.263 18282 5386 1 9 . 1 1 87 87 GLU H H 88 7.679 7.679 7.753 -0.074 18282 5387 1 9 . 1 1 88 88 LEU N N 89 118.090 118.090 121.388 -3.298 18282 5388 1 9 . 1 1 88 88 LEU HA H 89 3.909 3.909 4.051 -0.142 18282 5389 1 9 . 1 1 88 88 LEU CA C 89 57.688 57.688 58.239 -0.551 18282 5390 1 9 . 1 1 88 88 LEU CB C 89 41.436 41.436 41.990 -0.554 18282 5391 1 9 . 1 1 88 88 LEU H H 89 7.441 7.441 8.052 -0.611 18282 5392 1 9 . 1 1 89 89 ILE HA H 90 3.344 3.344 3.715 -0.371 18282 5393 1 9 . 1 1 89 89 ILE CA C 90 65.082 65.082 64.950 0.133 18282 5394 1 9 . 1 1 89 89 ILE CB C 90 37.556 37.556 37.770 -0.214 18282 5395 1 9 . 1 1 90 90 ASP HA H 91 3.894 3.894 4.509 -0.615 18282 5396 1 9 . 1 1 90 90 ASP CA C 91 57.678 57.678 55.196 2.482 18282 5397 1 9 . 1 1 90 90 ASP CB C 91 40.546 40.546 40.287 0.259 18282 5398 1 9 . 1 1 91 91 LYS N N 92 119.422 119.422 120.249 -0.827 18282 5399 1 9 . 1 1 91 91 LYS CA C 92 54.600 54.600 56.981 -2.381 18282 5400 1 9 . 1 1 91 91 LYS CB C 92 32.014 32.014 33.293 -1.279 18282 5401 1 9 . 1 1 91 91 LYS H H 92 7.903 7.903 7.356 0.547 18282 5402 1 9 . 1 1 92 92 LYS HA H 93 4.541 4.541 4.067 0.474 18282 5403 1 9 . 1 1 92 92 LYS CA C 93 55.202 55.202 59.093 -3.892 18282 5404 1 9 . 1 1 92 92 LYS CB C 93 31.758 31.758 32.424 -0.666 18282 5405 1 9 . 1 1 93 93 GLU N N 94 115.922 115.922 116.995 -1.073 18282 5406 1 9 . 1 1 93 93 GLU HA H 94 4.283 4.283 4.269 0.014 18282 5407 1 9 . 1 1 93 93 GLU C C 94 175.613 175.613 176.354 -0.741 18282 5408 1 9 . 1 1 93 93 GLU CA C 94 56.296 56.296 56.353 -0.057 18282 5409 1 9 . 1 1 93 93 GLU CB C 94 29.415 29.415 29.292 0.123 18282 5410 1 9 . 1 1 93 93 GLU H H 94 8.140 8.140 8.239 -0.099 18282 5411 1 9 . 1 1 94 94 VAL N N 95 121.304 121.304 115.219 6.085 18282 5412 1 9 . 1 1 94 94 VAL HA H 95 3.773 3.773 3.611 0.162 18282 5413 1 9 . 1 1 94 94 VAL CA C 95 62.257 62.257 64.576 -2.319 18282 5414 1 9 . 1 1 94 94 VAL CB C 95 32.047 32.047 31.192 0.856 18282 5415 1 9 . 1 1 94 94 VAL H H 95 8.003 8.003 7.554 0.449 18282 5416 1 9 . 1 1 95 95 ASN H H 96 7.518 7.518 7.962 -0.444 18282 5417 1 9 . 1 1 96 96 PRO HA H 97 4.319 4.319 4.176 0.143 18282 5418 1 9 . 1 1 96 96 PRO C C 97 179.088 179.088 177.449 1.639 18282 5419 1 9 . 1 1 96 96 PRO CA C 97 64.963 64.963 65.019 -0.056 18282 5420 1 9 . 1 1 96 96 PRO CB C 97 32.035 32.035 31.687 0.348 18282 5421 1 9 . 1 1 97 97 GLN N N 98 117.793 117.793 115.762 2.031 18282 5422 1 9 . 1 1 97 97 GLN HA H 98 3.952 3.952 4.104 -0.152 18282 5423 1 9 . 1 1 97 97 GLN C C 98 179.272 179.272 177.335 1.937 18282 5424 1 9 . 1 1 97 97 GLN CA C 98 55.691 55.691 58.257 -2.566 18282 5425 1 9 . 1 1 97 97 GLN CB C 98 28.378 28.378 27.298 1.080 18282 5426 1 9 . 1 1 97 97 GLN H H 98 8.351 8.351 8.393 -0.042 18282 5427 1 9 . 1 1 98 98 VAL N N 99 121.247 121.247 120.952 0.295 18282 5428 1 9 . 1 1 98 98 VAL HA H 99 3.440 3.440 3.719 -0.279 18282 5429 1 9 . 1 1 98 98 VAL CA C 99 67.776 67.776 66.058 1.718 18282 5430 1 9 . 1 1 98 98 VAL CB C 99 31.574 31.574 31.423 0.151 18282 5431 1 9 . 1 1 98 98 VAL H H 99 7.901 7.901 7.630 0.271 18282 5432 1 9 . 1 1 100 100 ALA HA H 101 4.218 4.218 4.095 0.123 18282 5433 1 9 . 1 1 100 100 ALA C C 101 179.599 179.599 178.985 0.614 18282 5434 1 9 . 1 1 100 100 ALA CA C 101 54.685 54.685 54.435 0.250 18282 5435 1 9 . 1 1 100 100 ALA CB C 101 17.562 17.562 17.963 -0.401 18282 5436 1 9 . 1 1 101 101 ALA N N 102 119.533 119.533 121.905 -2.372 18282 5437 1 9 . 1 1 101 101 ALA HA H 102 4.005 4.005 4.082 -0.077 18282 5438 1 9 . 1 1 101 101 ALA C C 102 180.970 180.970 179.434 1.536 18282 5439 1 9 . 1 1 101 101 ALA CA C 102 55.013 55.013 54.396 0.617 18282 5440 1 9 . 1 1 101 101 ALA CB C 102 17.422 17.422 18.095 -0.673 18282 5441 1 9 . 1 1 101 101 ALA H H 102 7.559 7.559 7.831 -0.272 18282 5442 1 9 . 1 1 102 102 VAL N N 103 122.669 122.669 117.710 4.959 18282 5443 1 9 . 1 1 102 102 VAL HA H 103 4.087 4.087 3.726 0.361 18282 5444 1 9 . 1 1 102 102 VAL C C 103 175.666 175.666 176.994 -1.328 18282 5445 1 9 . 1 1 102 102 VAL CA C 103 61.850 61.850 65.220 -3.370 18282 5446 1 9 . 1 1 102 102 VAL CB C 103 32.576 32.576 30.949 1.627 18282 5447 1 9 . 1 1 102 102 VAL H H 103 8.851 8.851 7.548 1.303 18282 5448 1 9 . 1 1 103 103 ALA N N 104 128.048 128.048 121.103 6.945 18282 5449 1 9 . 1 1 103 103 ALA HA H 104 4.288 4.288 4.086 0.202 18282 5450 1 9 . 1 1 103 103 ALA C C 104 177.344 177.344 177.847 -0.503 18282 5451 1 9 . 1 1 103 103 ALA CA C 104 52.194 52.194 54.011 -1.817 18282 5452 1 9 . 1 1 103 103 ALA CB C 104 19.021 19.021 19.205 -0.184 18282 5453 1 9 . 1 1 103 103 ALA H H 104 8.374 8.374 7.798 0.576 18282 5454 1 9 . 1 1 104 104 GLN N N 105 120.285 120.285 118.604 1.681 18282 5455 1 9 . 1 1 104 104 GLN HA H 105 4.281 4.281 4.355 -0.074 18282 5456 1 9 . 1 1 104 104 GLN CA C 105 55.656 55.656 55.544 0.112 18282 5457 1 9 . 1 1 104 104 GLN CB C 105 32.581 32.581 28.605 3.976 18282 5458 1 9 . 1 1 104 104 GLN H H 105 8.374 8.374 7.655 0.719 18282 5459 1 9 . 1 1 105 105 THR HA H 106 4.293 4.293 4.091 0.202 18282 5460 1 9 . 1 1 105 105 THR C C 106 174.384 174.384 175.192 -0.808 18282 5461 1 9 . 1 1 105 105 THR CA C 106 61.663 61.663 63.218 -1.555 18282 5462 1 9 . 1 1 105 105 THR CB C 106 69.458 69.458 69.269 0.189 18282 5463 1 9 . 1 1 106 106 GLU N N 107 122.744 122.744 121.616 1.128 18282 5464 1 9 . 1 1 106 106 GLU HA H 107 4.241 4.241 4.222 0.019 18282 5465 1 9 . 1 1 106 106 GLU C C 107 176.331 176.331 175.693 0.638 18282 5466 1 9 . 1 1 106 106 GLU CA C 107 56.621 56.621 56.492 0.129 18282 5467 1 9 . 1 1 106 106 GLU CB C 107 30.004 30.004 30.462 -0.458 18282 5468 1 9 . 1 1 106 106 GLU H H 107 8.415 8.415 8.236 0.179 18282 5469 1 9 . 1 1 107 107 GLU N N 108 121.993 121.993 120.992 1.001 18282 5470 1 9 . 1 1 107 107 GLU HA H 108 4.184 4.184 4.243 -0.059 18282 5471 1 9 . 1 1 107 107 GLU C C 108 176.404 176.404 178.514 -2.110 18282 5472 1 9 . 1 1 107 107 GLU CA C 108 56.721 56.721 56.301 0.420 18282 5473 1 9 . 1 1 107 107 GLU CB C 108 29.770 29.770 30.084 -0.314 18282 5474 1 9 . 1 1 107 107 GLU H H 108 8.334 8.334 8.641 -0.307 18282 5475 1 9 . 1 1 108 108 ILE N N 109 122.204 122.204 119.068 3.136 18282 5476 1 9 . 1 1 108 108 ILE HA H 109 4.052 4.052 3.979 0.073 18282 5477 1 9 . 1 1 108 108 ILE C C 109 176.261 176.261 175.496 0.765 18282 5478 1 9 . 1 1 108 108 ILE CA C 109 61.245 61.245 63.360 -2.115 18282 5479 1 9 . 1 1 108 108 ILE CB C 109 38.157 38.157 37.283 0.874 18282 5480 1 9 . 1 1 108 108 ILE H H 109 8.068 8.068 8.686 -0.618 18282 5481 1 9 . 1 1 109 109 LEU N N 110 125.608 125.608 119.378 6.230 18282 5482 1 9 . 1 1 109 109 LEU HA H 110 4.295 4.295 4.524 -0.229 18282 5483 1 9 . 1 1 109 109 LEU C C 110 177.275 177.275 176.748 0.527 18282 5484 1 9 . 1 1 109 109 LEU CA C 110 55.103 55.103 53.864 1.239 18282 5485 1 9 . 1 1 109 109 LEU CB C 110 41.929 41.929 42.515 -0.586 18282 5486 1 9 . 1 1 109 109 LEU H H 110 8.187 8.187 7.332 0.855 18282 5487 1 9 . 1 1 110 110 LYS N N 111 122.154 122.154 120.367 1.787 18282 5488 1 9 . 1 1 110 110 LYS HA H 111 4.278 4.278 4.536 -0.258 18282 5489 1 9 . 1 1 110 110 LYS C C 111 176.606 176.606 176.001 0.605 18282 5490 1 9 . 1 1 110 110 LYS CA C 111 56.125 56.125 55.652 0.473 18282 5491 1 9 . 1 1 110 110 LYS CB C 111 32.423 32.423 34.202 -1.779 18282 5492 1 9 . 1 1 110 110 LYS H H 111 8.206 8.206 7.957 0.249 18282 5493 1 9 . 1 1 111 111 SER N N 112 116.381 116.381 121.813 -5.432 18282 5494 1 9 . 1 1 111 111 SER HA H 112 4.395 4.395 4.625 -0.230 18282 5495 1 9 . 1 1 111 111 SER C C 112 175.168 175.168 175.739 -0.571 18282 5496 1 9 . 1 1 111 111 SER CA C 112 58.456 58.456 58.181 0.275 18282 5497 1 9 . 1 1 111 111 SER CB C 112 63.495 63.495 64.541 -1.046 18282 5498 1 9 . 1 1 111 111 SER H H 112 8.217 8.217 8.189 0.028 18282 5499 1 9 . 1 1 112 112 ASN N N 113 119.799 119.799 117.997 1.802 18282 5500 1 9 . 1 1 112 112 ASN HA H 113 4.699 4.699 4.556 0.143 18282 5501 1 9 . 1 1 112 112 ASN C C 113 175.552 175.552 175.934 -0.382 18282 5502 1 9 . 1 1 112 112 ASN CA C 113 53.592 53.592 55.600 -2.008 18282 5503 1 9 . 1 1 112 112 ASN CB C 113 38.772 38.772 38.904 -0.132 18282 5504 1 9 . 1 1 112 112 ASN H H 113 7.950 7.950 8.903 -0.953 18282 5505 1 9 . 1 1 113 113 SER N N 114 115.430 115.430 108.418 7.012 18282 5506 1 9 . 1 1 113 113 SER HA H 114 4.382 4.382 4.515 -0.133 18282 5507 1 9 . 1 1 113 113 SER C C 114 174.558 174.558 174.197 0.361 18282 5508 1 9 . 1 1 113 113 SER CA C 114 58.919 58.919 58.307 0.612 18282 5509 1 9 . 1 1 113 113 SER CB C 114 63.494 63.494 64.961 -1.467 18282 5510 1 9 . 1 1 113 113 SER H H 114 7.970 7.970 7.627 0.343 18282 5511 1 9 . 1 1 114 114 GLN N N 115 121.973 121.973 122.608 -0.635 18282 5512 1 9 . 1 1 114 114 GLN HA H 115 4.347 4.347 4.482 -0.135 18282 5513 1 9 . 1 1 114 114 GLN C C 115 176.246 176.246 176.408 -0.162 18282 5514 1 9 . 1 1 114 114 GLN CA C 115 56.036 56.036 55.982 0.054 18282 5515 1 9 . 1 1 114 114 GLN CB C 115 29.196 29.196 29.200 -0.004 18282 5516 1 9 . 1 1 114 114 GLN H H 115 8.382 8.382 7.843 0.539 18282 5517 1 9 . 1 1 115 115 THR N N 116 114.701 114.701 113.527 1.174 18282 5518 1 9 . 1 1 115 115 THR HA H 116 4.238 4.238 4.267 -0.029 18282 5519 1 9 . 1 1 115 115 THR C C 116 174.276 174.276 175.442 -1.166 18282 5520 1 9 . 1 1 115 115 THR CA C 116 62.221 62.221 61.708 0.513 18282 5521 1 9 . 1 1 115 115 THR CB C 116 69.405 69.405 69.635 -0.230 18282 5522 1 9 . 1 1 115 115 THR H H 116 8.070 8.070 8.352 -0.282 18282 5523 1 9 . 1 1 116 116 ASP N N 117 122.566 122.566 119.350 3.216 18282 5524 1 9 . 1 1 116 116 ASP HA H 117 4.575 4.575 4.730 -0.155 18282 5525 1 9 . 1 1 116 116 ASP C C 117 176.241 176.241 176.828 -0.587 18282 5526 1 9 . 1 1 116 116 ASP CA C 117 54.286 54.286 55.870 -1.584 18282 5527 1 9 . 1 1 116 116 ASP CB C 117 40.609 40.609 40.328 0.281 18282 5528 1 9 . 1 1 116 116 ASP H H 117 8.288 8.288 8.779 -0.491 18282 5529 1 9 . 1 1 117 117 LEU N N 118 122.118 122.118 118.293 3.825 18282 5530 1 9 . 1 1 117 117 LEU HA H 118 4.163 4.163 4.138 0.025 18282 5531 1 9 . 1 1 117 117 LEU C C 118 177.637 177.637 177.226 0.411 18282 5532 1 9 . 1 1 117 117 LEU CA C 118 55.475 55.475 55.950 -0.475 18282 5533 1 9 . 1 1 117 117 LEU CB C 118 41.964 41.964 42.426 -0.462 18282 5534 1 9 . 1 1 117 117 LEU H H 118 8.088 8.088 7.282 0.806 18282 5535 1 9 . 1 1 118 118 GLU N N 119 119.527 119.527 114.740 4.787 18282 5536 1 9 . 1 1 118 118 GLU HA H 119 4.086 4.086 3.952 0.134 18282 5537 1 9 . 1 1 118 118 GLU C C 119 176.265 176.265 175.932 0.333 18282 5538 1 9 . 1 1 118 118 GLU CA C 119 56.569 56.569 56.816 -0.247 18282 5539 1 9 . 1 1 118 118 GLU CB C 119 29.486 29.486 27.758 1.728 18282 5540 1 9 . 1 1 118 118 GLU H H 119 8.134 8.134 7.723 0.411 18282 5541 1 9 . 1 1 119 119 HIS N N 120 118.076 118.076 120.372 -2.296 18282 5542 1 9 . 1 1 119 119 HIS HA H 120 4.485 4.485 4.267 0.218 18282 5543 1 9 . 1 1 119 119 HIS CA C 120 55.422 55.422 58.830 -3.408 18282 5544 1 9 . 1 1 119 119 HIS CB C 120 28.628 28.628 30.371 -1.743 18282 5545 1 9 . 1 1 119 119 HIS H H 120 8.134 8.134 8.679 -0.545 18282 5546 1 9 . 1 1 120 120 HIS N N 121 119.323 119.323 116.398 2.925 18282 5547 1 9 . 1 1 120 120 HIS HA H 121 4.242 4.242 4.660 -0.418 18282 5548 1 9 . 1 1 120 120 HIS CA C 121 56.732 56.732 55.383 1.349 18282 5549 1 9 . 1 1 120 120 HIS H H 121 8.372 8.372 8.183 0.189 18282 5550 1 9 . 1 1 121 121 HIS N N 122 126.032 126.032 123.602 2.430 18282 5551 1 9 . 1 1 121 121 HIS CA C 122 57.036 57.036 58.094 -1.058 18282 5552 1 9 . 1 1 121 121 HIS CB C 122 29.923 29.923 30.260 -0.337 18282 5553 1 9 . 1 1 121 121 HIS H H 122 7.900 7.900 8.709 -0.809 18282 5554 1 9 . 1 1 122 122 HIS N N 123 121.012 121.012 116.937 4.075 18282 5555 1 9 . 1 1 122 122 HIS HA H 123 4.595 4.595 4.773 -0.178 18282 5556 1 9 . 1 1 122 122 HIS CA C 123 55.372 55.372 55.300 0.072 18282 5557 1 9 . 1 1 122 122 HIS CB C 123 29.165 29.165 31.441 -2.276 18282 5558 1 9 . 1 1 122 122 HIS H H 123 8.595 8.595 8.208 0.387 18282 5559 1 9 . 1 1 123 123 HIS N N 124 120.343 120.343 120.604 -0.261 18282 5560 1 9 . 1 1 123 123 HIS CA C 124 57.380 57.380 58.523 -1.143 18282 5561 1 9 . 1 1 123 123 HIS CB C 124 35.491 35.491 30.180 5.311 18282 5562 1 9 . 1 1 123 123 HIS H H 124 8.558 8.558 8.961 -0.403 18282 5563 1 10 . 1 1 2 2 GLN N N 3 122.228 122.228 120.782 1.446 18282 5564 1 10 . 1 1 2 2 GLN HA H 3 3.896 3.896 4.050 -0.154 18282 5565 1 10 . 1 1 2 2 GLN C C 3 178.672 178.672 178.020 0.652 18282 5566 1 10 . 1 1 2 2 GLN CA C 3 58.794 58.794 58.287 0.507 18282 5567 1 10 . 1 1 2 2 GLN H H 3 9.310 9.310 8.593 0.717 18282 5568 1 10 . 1 1 3 3 GLU N N 4 119.529 119.529 119.792 -0.263 18282 5569 1 10 . 1 1 3 3 GLU C C 4 175.504 175.504 178.630 -3.126 18282 5570 1 10 . 1 1 3 3 GLU CA C 4 59.561 59.561 58.623 0.938 18282 5571 1 10 . 1 1 3 3 GLU CB C 4 28.876 28.876 28.805 0.071 18282 5572 1 10 . 1 1 3 3 GLU H H 4 8.489 8.489 8.803 -0.314 18282 5573 1 10 . 1 1 4 4 LEU N N 5 114.832 114.832 121.738 -6.906 18282 5574 1 10 . 1 1 4 4 LEU HA H 5 3.716 3.716 3.898 -0.182 18282 5575 1 10 . 1 1 4 4 LEU C C 5 178.276 178.276 177.932 0.344 18282 5576 1 10 . 1 1 4 4 LEU CA C 5 57.813 57.813 57.899 -0.086 18282 5577 1 10 . 1 1 4 4 LEU CB C 5 40.844 40.844 41.715 -0.871 18282 5578 1 10 . 1 1 4 4 LEU H H 5 8.210 8.210 7.555 0.655 18282 5579 1 10 . 1 1 5 5 SER N N 6 109.726 109.726 114.471 -4.745 18282 5580 1 10 . 1 1 5 5 SER HA H 6 4.127 4.127 4.022 0.105 18282 5581 1 10 . 1 1 5 5 SER C C 6 178.508 178.508 176.890 1.618 18282 5582 1 10 . 1 1 5 5 SER CA C 6 60.401 60.401 61.576 -1.175 18282 5583 1 10 . 1 1 5 5 SER CB C 6 63.535 63.535 62.857 0.678 18282 5584 1 10 . 1 1 5 5 SER H H 6 8.247 8.247 8.281 -0.034 18282 5585 1 10 . 1 1 6 6 GLN N N 7 117.203 117.203 119.293 -2.090 18282 5586 1 10 . 1 1 6 6 GLN HA H 7 4.026 4.026 4.051 -0.025 18282 5587 1 10 . 1 1 6 6 GLN CA C 7 58.474 58.474 58.667 -0.193 18282 5588 1 10 . 1 1 6 6 GLN H H 7 8.719 8.719 8.548 0.171 18282 5589 1 10 . 1 1 7 7 HIS C C 8 178.622 178.622 177.399 1.223 18282 5590 1 10 . 1 1 8 8 GLU N N 9 120.357 120.357 118.426 1.931 18282 5591 1 10 . 1 1 8 8 GLU HA H 9 3.969 3.969 4.189 -0.220 18282 5592 1 10 . 1 1 8 8 GLU C C 9 178.408 178.408 179.252 -0.844 18282 5593 1 10 . 1 1 8 8 GLU CA C 9 58.244 58.244 59.620 -1.376 18282 5594 1 10 . 1 1 8 8 GLU CB C 9 29.013 29.013 29.163 -0.150 18282 5595 1 10 . 1 1 8 8 GLU H H 9 7.701 7.701 7.778 -0.077 18282 5596 1 10 . 1 1 9 9 ARG N N 10 118.791 118.791 118.358 0.433 18282 5597 1 10 . 1 1 9 9 ARG HA H 10 4.124 4.124 4.024 0.100 18282 5598 1 10 . 1 1 9 9 ARG C C 10 178.599 178.599 178.551 0.048 18282 5599 1 10 . 1 1 9 9 ARG CA C 10 58.633 58.633 59.057 -0.424 18282 5600 1 10 . 1 1 9 9 ARG CB C 10 29.005 29.005 29.970 -0.965 18282 5601 1 10 . 1 1 9 9 ARG H H 10 8.910 8.910 7.631 1.279 18282 5602 1 10 . 1 1 10 10 TYR N N 11 121.239 121.239 121.001 0.238 18282 5603 1 10 . 1 1 10 10 TYR HA H 11 4.186 4.186 4.105 0.081 18282 5604 1 10 . 1 1 10 10 TYR C C 11 176.644 176.644 177.561 -0.917 18282 5605 1 10 . 1 1 10 10 TYR CA C 11 61.311 61.311 61.748 -0.438 18282 5606 1 10 . 1 1 10 10 TYR CB C 11 37.956 37.956 38.266 -0.310 18282 5607 1 10 . 1 1 10 10 TYR H H 11 7.562 7.562 8.148 -0.586 18282 5608 1 10 . 1 1 11 11 VAL N N 12 119.249 119.249 118.537 0.712 18282 5609 1 10 . 1 1 11 11 VAL HA H 12 3.119 3.119 3.634 -0.515 18282 5610 1 10 . 1 1 11 11 VAL C C 12 177.275 177.275 178.390 -1.115 18282 5611 1 10 . 1 1 11 11 VAL CA C 12 66.925 66.925 66.467 0.458 18282 5612 1 10 . 1 1 11 11 VAL CB C 12 30.981 30.981 31.410 -0.429 18282 5613 1 10 . 1 1 11 11 VAL H H 12 8.087 8.087 7.551 0.536 18282 5614 1 10 . 1 1 12 12 GLU N N 13 119.569 119.569 117.963 1.606 18282 5615 1 10 . 1 1 12 12 GLU HA H 13 4.213 4.213 4.071 0.142 18282 5616 1 10 . 1 1 12 12 GLU C C 13 175.207 175.207 179.095 -3.888 18282 5617 1 10 . 1 1 12 12 GLU CA C 13 55.971 55.971 58.555 -2.584 18282 5618 1 10 . 1 1 12 12 GLU CB C 13 28.439 28.439 29.132 -0.693 18282 5619 1 10 . 1 1 12 12 GLU H H 13 8.312 8.312 7.569 0.743 18282 5620 1 10 . 1 1 13 13 GLN N N 14 119.375 119.375 120.472 -1.097 18282 5621 1 10 . 1 1 13 13 GLN HA H 14 3.657 3.657 4.013 -0.356 18282 5622 1 10 . 1 1 13 13 GLN CA C 14 54.294 54.294 58.118 -3.824 18282 5623 1 10 . 1 1 13 13 GLN CB C 14 29.681 29.681 28.256 1.425 18282 5624 1 10 . 1 1 13 13 GLN H H 14 7.690 7.690 8.688 -0.998 18282 5625 1 10 . 1 1 14 14 LEU HA H 15 3.865 3.865 3.732 0.133 18282 5626 1 10 . 1 1 14 14 LEU CA C 15 58.177 58.177 57.161 1.016 18282 5627 1 10 . 1 1 14 14 LEU CB C 15 40.693 40.693 40.796 -0.103 18282 5628 1 10 . 1 1 15 15 LYS HA H 16 3.737 3.737 3.678 0.059 18282 5629 1 10 . 1 1 15 15 LYS C C 16 177.817 177.817 178.954 -1.137 18282 5630 1 10 . 1 1 15 15 LYS CA C 16 60.352 60.352 59.470 0.882 18282 5631 1 10 . 1 1 15 15 LYS CB C 16 32.106 32.106 31.835 0.271 18282 5632 1 10 . 1 1 16 16 GLN N N 17 117.498 117.498 118.356 -0.858 18282 5633 1 10 . 1 1 16 16 GLN HA H 17 3.864 3.864 3.879 -0.015 18282 5634 1 10 . 1 1 16 16 GLN CA C 17 58.307 58.307 58.932 -0.625 18282 5635 1 10 . 1 1 16 16 GLN CB C 17 27.788 27.788 28.452 -0.664 18282 5636 1 10 . 1 1 16 16 GLN H H 17 7.862 7.862 7.616 0.246 18282 5637 1 10 . 1 1 17 17 ALA HA H 18 3.793 3.793 4.015 -0.222 18282 5638 1 10 . 1 1 17 17 ALA C C 18 179.147 179.147 179.340 -0.193 18282 5639 1 10 . 1 1 17 17 ALA CA C 18 54.792 54.792 54.447 0.345 18282 5640 1 10 . 1 1 17 17 ALA CB C 18 17.693 17.693 17.946 -0.253 18282 5641 1 10 . 1 1 18 18 LEU N N 19 117.278 117.278 117.445 -0.167 18282 5642 1 10 . 1 1 18 18 LEU HA H 19 3.784 3.784 3.960 -0.176 18282 5643 1 10 . 1 1 18 18 LEU C C 19 174.935 174.935 178.442 -3.507 18282 5644 1 10 . 1 1 18 18 LEU CA C 19 57.731 57.731 56.432 1.299 18282 5645 1 10 . 1 1 18 18 LEU CB C 19 40.703 40.703 41.669 -0.966 18282 5646 1 10 . 1 1 18 18 LEU H H 19 8.168 8.168 7.261 0.907 18282 5647 1 10 . 1 1 19 19 LYS N N 20 118.025 118.025 120.997 -2.972 18282 5648 1 10 . 1 1 19 19 LYS C C 20 177.982 177.982 179.285 -1.303 18282 5649 1 10 . 1 1 19 19 LYS CA C 20 60.439 60.439 59.344 1.095 18282 5650 1 10 . 1 1 19 19 LYS H H 20 8.345 8.345 7.787 0.558 18282 5651 1 10 . 1 1 20 20 THR N N 21 116.345 116.345 112.816 3.529 18282 5652 1 10 . 1 1 20 20 THR HA H 21 4.126 4.126 4.102 0.024 18282 5653 1 10 . 1 1 20 20 THR C C 21 175.469 175.469 176.188 -0.719 18282 5654 1 10 . 1 1 20 20 THR CA C 21 64.643 64.643 64.603 0.040 18282 5655 1 10 . 1 1 20 20 THR CB C 21 68.652 68.652 68.812 -0.160 18282 5656 1 10 . 1 1 20 20 THR H H 21 7.896 7.896 7.718 0.178 18282 5657 1 10 . 1 1 21 21 ARG N N 22 118.792 118.792 119.035 -0.243 18282 5658 1 10 . 1 1 21 21 ARG HA H 22 4.375 4.375 4.179 0.196 18282 5659 1 10 . 1 1 21 21 ARG C C 22 176.364 176.364 176.794 -0.430 18282 5660 1 10 . 1 1 21 21 ARG CA C 22 54.157 54.157 55.611 -1.454 18282 5661 1 10 . 1 1 21 21 ARG CB C 22 29.453 29.453 29.944 -0.491 18282 5662 1 10 . 1 1 21 21 ARG H H 22 7.317 7.317 7.715 -0.398 18282 5663 1 10 . 1 1 22 22 GLY N N 23 108.428 108.428 106.754 1.674 18282 5664 1 10 . 1 1 22 22 GLY C C 23 174.154 174.154 174.003 0.151 18282 5665 1 10 . 1 1 22 22 GLY CA C 23 45.953 45.953 44.812 1.141 18282 5666 1 10 . 1 1 22 22 GLY H H 23 7.881 7.881 7.737 0.144 18282 5667 1 10 . 1 1 23 23 VAL N N 24 117.319 117.319 117.916 -0.597 18282 5668 1 10 . 1 1 23 23 VAL HA H 24 4.036 4.036 4.229 -0.193 18282 5669 1 10 . 1 1 23 23 VAL C C 24 175.601 175.601 175.349 0.252 18282 5670 1 10 . 1 1 23 23 VAL CA C 24 61.635 61.635 60.216 1.419 18282 5671 1 10 . 1 1 23 23 VAL CB C 24 32.589 32.589 33.672 -1.083 18282 5672 1 10 . 1 1 23 23 VAL H H 24 7.431 7.431 7.236 0.195 18282 5673 1 10 . 1 1 24 24 LYS N N 25 127.424 127.424 122.309 5.115 18282 5674 1 10 . 1 1 24 24 LYS HA H 25 4.336 4.336 4.472 -0.136 18282 5675 1 10 . 1 1 24 24 LYS C C 25 175.550 175.550 175.244 0.306 18282 5676 1 10 . 1 1 24 24 LYS CA C 25 55.811 55.811 55.369 0.442 18282 5677 1 10 . 1 1 24 24 LYS CB C 25 32.269 32.269 34.062 -1.793 18282 5678 1 10 . 1 1 24 24 LYS H H 25 8.665 8.665 8.462 0.203 18282 5679 1 10 . 1 1 25 25 VAL N N 26 120.764 120.764 117.286 3.478 18282 5680 1 10 . 1 1 25 25 VAL HA H 26 4.140 4.140 4.292 -0.152 18282 5681 1 10 . 1 1 25 25 VAL C C 26 174.206 174.206 175.717 -1.511 18282 5682 1 10 . 1 1 25 25 VAL CA C 26 60.316 60.316 60.938 -0.622 18282 5683 1 10 . 1 1 25 25 VAL CB C 26 33.920 33.920 31.603 2.317 18282 5684 1 10 . 1 1 25 25 VAL H H 26 7.545 7.545 8.244 -0.699 18282 5685 1 10 . 1 1 26 26 LYS N N 27 125.707 125.707 119.472 6.235 18282 5686 1 10 . 1 1 26 26 LYS HA H 27 4.115 4.115 4.022 0.093 18282 5687 1 10 . 1 1 26 26 LYS CA C 27 55.211 55.211 57.063 -1.852 18282 5688 1 10 . 1 1 26 26 LYS CB C 27 31.930 31.930 32.429 -0.499 18282 5689 1 10 . 1 1 26 26 LYS H H 27 8.608 8.608 7.207 1.401 18282 5690 1 10 . 1 1 27 27 TYR CA C 28 56.418 56.418 62.084 -5.666 18282 5691 1 10 . 1 1 27 27 TYR CB C 28 37.036 37.036 37.264 -0.228 18282 5692 1 10 . 1 1 28 28 ALA N N 29 120.712 120.712 121.090 -0.378 18282 5693 1 10 . 1 1 28 28 ALA HA H 29 3.712 3.712 4.027 -0.315 18282 5694 1 10 . 1 1 28 28 ALA C C 29 180.210 180.210 179.595 0.615 18282 5695 1 10 . 1 1 28 28 ALA CA C 29 54.911 54.911 54.754 0.157 18282 5696 1 10 . 1 1 28 28 ALA CB C 29 18.034 18.034 17.439 0.595 18282 5697 1 10 . 1 1 28 28 ALA H H 29 8.326 8.326 8.562 -0.236 18282 5698 1 10 . 1 1 29 29 ASP N N 30 117.166 117.166 119.493 -2.327 18282 5699 1 10 . 1 1 29 29 ASP HA H 30 4.379 4.379 4.373 0.006 18282 5700 1 10 . 1 1 29 29 ASP C C 30 178.427 178.427 178.529 -0.102 18282 5701 1 10 . 1 1 29 29 ASP CA C 30 56.459 56.459 57.559 -1.100 18282 5702 1 10 . 1 1 29 29 ASP CB C 30 39.962 39.962 40.439 -0.477 18282 5703 1 10 . 1 1 29 29 ASP H H 30 6.913 6.913 8.004 -1.091 18282 5704 1 10 . 1 1 30 30 LEU N N 31 123.105 123.105 120.306 2.799 18282 5705 1 10 . 1 1 30 30 LEU HA H 31 3.491 3.491 4.285 -0.794 18282 5706 1 10 . 1 1 30 30 LEU CA C 31 56.841 56.841 58.030 -1.189 18282 5707 1 10 . 1 1 30 30 LEU CB C 31 40.888 40.888 42.104 -1.216 18282 5708 1 10 . 1 1 30 30 LEU H H 31 7.543 7.543 7.715 -0.172 18282 5709 1 10 . 1 1 31 31 LEU HA H 32 3.611 3.611 3.952 -0.341 18282 5710 1 10 . 1 1 31 31 LEU C C 32 179.120 179.120 179.404 -0.284 18282 5711 1 10 . 1 1 31 31 LEU CA C 32 58.103 58.103 58.163 -0.060 18282 5712 1 10 . 1 1 31 31 LEU CB C 32 40.594 40.594 41.154 -0.560 18282 5713 1 10 . 1 1 32 32 LYS N N 33 118.074 118.074 118.767 -0.693 18282 5714 1 10 . 1 1 32 32 LYS HA H 33 4.202 4.202 4.168 0.034 18282 5715 1 10 . 1 1 32 32 LYS C C 33 180.044 180.044 178.666 1.378 18282 5716 1 10 . 1 1 32 32 LYS CA C 33 59.081 59.081 59.059 0.022 18282 5717 1 10 . 1 1 32 32 LYS CB C 33 31.735 31.735 32.634 -0.899 18282 5718 1 10 . 1 1 32 32 LYS H H 33 7.189 7.189 7.789 -0.600 18282 5719 1 10 . 1 1 33 33 PHE N N 34 122.977 122.977 120.743 2.234 18282 5720 1 10 . 1 1 33 33 PHE CA C 34 60.402 60.402 61.522 -1.120 18282 5721 1 10 . 1 1 33 33 PHE H H 34 7.768 7.768 8.678 -0.910 18282 5722 1 10 . 1 1 34 34 PHE HA H 35 3.800 3.800 3.978 -0.177 18282 5723 1 10 . 1 1 34 34 PHE C C 35 176.355 176.355 177.091 -0.736 18282 5724 1 10 . 1 1 34 34 PHE CA C 35 61.813 61.813 62.070 -0.257 18282 5725 1 10 . 1 1 34 34 PHE CB C 35 37.164 37.164 39.048 -1.885 18282 5726 1 10 . 1 1 35 35 ASP N N 36 119.969 119.969 120.015 -0.046 18282 5727 1 10 . 1 1 35 35 ASP C C 36 177.087 177.087 179.021 -1.934 18282 5728 1 10 . 1 1 35 35 ASP CA C 36 58.278 58.278 57.388 0.890 18282 5729 1 10 . 1 1 35 35 ASP CB C 36 39.578 39.578 40.326 -0.748 18282 5730 1 10 . 1 1 35 35 ASP H H 36 8.338 8.338 7.969 0.369 18282 5731 1 10 . 1 1 36 36 PHE N N 37 122.901 122.901 119.441 3.460 18282 5732 1 10 . 1 1 36 36 PHE C C 37 178.788 178.788 177.913 0.875 18282 5733 1 10 . 1 1 36 36 PHE CA C 37 61.416 61.416 60.544 0.872 18282 5734 1 10 . 1 1 36 36 PHE CB C 37 38.369 38.369 38.791 -0.423 18282 5735 1 10 . 1 1 36 36 PHE H H 37 7.860 7.860 8.294 -0.434 18282 5736 1 10 . 1 1 37 37 VAL N N 38 122.329 122.329 114.232 8.097 18282 5737 1 10 . 1 1 37 37 VAL HA H 38 3.100 3.100 3.711 -0.611 18282 5738 1 10 . 1 1 37 37 VAL C C 38 176.147 176.147 177.518 -1.371 18282 5739 1 10 . 1 1 37 37 VAL CA C 38 67.153 67.153 65.367 1.786 18282 5740 1 10 . 1 1 37 37 VAL CB C 38 30.625 30.625 31.591 -0.966 18282 5741 1 10 . 1 1 37 37 VAL H H 38 8.451 8.451 7.537 0.914 18282 5742 1 10 . 1 1 38 38 LYS N N 39 118.837 118.837 119.908 -1.071 18282 5743 1 10 . 1 1 38 38 LYS HA H 39 3.473 3.473 3.883 -0.410 18282 5744 1 10 . 1 1 38 38 LYS C C 39 176.361 176.361 178.401 -2.040 18282 5745 1 10 . 1 1 38 38 LYS CA C 39 59.519 59.519 59.521 -0.002 18282 5746 1 10 . 1 1 38 38 LYS CB C 39 31.628 31.628 32.197 -0.569 18282 5747 1 10 . 1 1 38 38 LYS H H 39 7.581 7.581 8.231 -0.650 18282 5748 1 10 . 1 1 39 39 ASP N N 40 116.210 116.210 117.979 -1.769 18282 5749 1 10 . 1 1 39 39 ASP HA H 40 4.261 4.261 4.493 -0.232 18282 5750 1 10 . 1 1 39 39 ASP CA C 40 56.580 56.580 56.595 -0.015 18282 5751 1 10 . 1 1 39 39 ASP CB C 40 40.977 40.977 40.898 0.079 18282 5752 1 10 . 1 1 39 39 ASP H H 40 8.052 8.052 8.076 -0.024 18282 5753 1 10 . 1 1 40 40 THR N N 41 109.215 109.215 107.652 1.563 18282 5754 1 10 . 1 1 40 40 THR C C 41 174.559 174.559 174.983 -0.424 18282 5755 1 10 . 1 1 40 40 THR H H 41 7.232 7.232 7.828 -0.596 18282 5756 1 10 . 1 1 41 41 CYS N N 42 117.927 117.927 119.920 -1.993 18282 5757 1 10 . 1 1 41 41 CYS CA C 42 55.865 55.865 58.631 -2.766 18282 5758 1 10 . 1 1 41 41 CYS CB C 42 28.500 28.500 25.762 2.738 18282 5759 1 10 . 1 1 41 41 CYS H H 42 7.197 7.197 8.525 -1.328 18282 5760 1 10 . 1 1 42 42 PRO HA H 43 3.987 3.987 4.439 -0.452 18282 5761 1 10 . 1 1 42 42 PRO C C 43 176.688 176.688 176.452 0.236 18282 5762 1 10 . 1 1 42 42 PRO CA C 43 65.206 65.206 64.127 1.079 18282 5763 1 10 . 1 1 42 42 PRO CB C 43 30.767 30.767 32.002 -1.235 18282 5764 1 10 . 1 1 43 43 TRP N N 44 113.805 113.805 117.793 -3.988 18282 5765 1 10 . 1 1 43 43 TRP HA H 44 4.361 4.361 4.769 -0.408 18282 5766 1 10 . 1 1 43 43 TRP C C 44 176.982 176.982 176.002 0.980 18282 5767 1 10 . 1 1 43 43 TRP CA C 44 61.758 61.758 57.267 4.491 18282 5768 1 10 . 1 1 43 43 TRP CB C 44 27.771 27.771 28.943 -1.172 18282 5769 1 10 . 1 1 43 43 TRP H H 44 6.632 6.632 8.002 -1.370 18282 5770 1 10 . 1 1 44 44 PHE N N 45 123.019 123.019 119.348 3.671 18282 5771 1 10 . 1 1 44 44 PHE HA H 45 4.043 4.043 4.159 -0.116 18282 5772 1 10 . 1 1 44 44 PHE CA C 45 62.990 62.990 57.801 5.189 18282 5773 1 10 . 1 1 44 44 PHE CB C 45 35.109 35.109 37.647 -2.538 18282 5774 1 10 . 1 1 44 44 PHE H H 45 7.302 7.302 7.602 -0.300 18282 5775 1 10 . 1 1 45 45 PRO HA H 46 4.015 4.015 4.205 -0.190 18282 5776 1 10 . 1 1 45 45 PRO C C 46 176.462 176.462 176.663 -0.201 18282 5777 1 10 . 1 1 45 45 PRO CA C 46 64.582 64.582 63.912 0.670 18282 5778 1 10 . 1 1 45 45 PRO CB C 46 30.254 30.254 31.296 -1.042 18282 5779 1 10 . 1 1 46 46 GLN N N 47 114.404 114.404 118.244 -3.840 18282 5780 1 10 . 1 1 46 46 GLN HA H 47 3.941 3.941 3.816 0.125 18282 5781 1 10 . 1 1 46 46 GLN C C 47 177.234 177.234 176.658 0.576 18282 5782 1 10 . 1 1 46 46 GLN CA C 47 58.328 58.328 58.181 0.146 18282 5783 1 10 . 1 1 46 46 GLN CB C 47 28.471 28.471 27.522 0.949 18282 5784 1 10 . 1 1 46 46 GLN H H 47 6.544 6.544 7.603 -1.059 18282 5785 1 10 . 1 1 47 47 GLU N N 48 117.356 117.356 116.740 0.616 18282 5786 1 10 . 1 1 47 47 GLU HA H 48 4.085 4.085 4.260 -0.175 18282 5787 1 10 . 1 1 47 47 GLU C C 48 179.130 179.130 176.412 2.718 18282 5788 1 10 . 1 1 47 47 GLU CA C 48 58.215 58.215 56.248 1.967 18282 5789 1 10 . 1 1 47 47 GLU CB C 48 29.247 29.247 31.409 -2.162 18282 5790 1 10 . 1 1 47 47 GLU H H 48 7.710 7.710 7.249 0.461 18282 5791 1 10 . 1 1 48 48 GLY N N 49 105.456 105.456 108.608 -3.152 18282 5792 1 10 . 1 1 48 48 GLY C C 49 171.006 171.006 173.292 -2.286 18282 5793 1 10 . 1 1 48 48 GLY CA C 49 47.085 47.085 45.574 1.511 18282 5794 1 10 . 1 1 48 48 GLY H H 49 7.296 7.296 7.578 -0.282 18282 5795 1 10 . 1 1 49 49 THR N N 50 114.015 114.015 113.248 0.767 18282 5796 1 10 . 1 1 49 49 THR HA H 50 4.248 4.248 4.922 -0.674 18282 5797 1 10 . 1 1 49 49 THR CA C 50 61.830 61.830 59.807 2.023 18282 5798 1 10 . 1 1 49 49 THR CB C 50 70.692 70.692 71.492 -0.800 18282 5799 1 10 . 1 1 49 49 THR H H 50 7.599 7.599 7.585 0.014 18282 5800 1 10 . 1 1 50 50 ILE HA H 51 4.135 4.135 4.499 -0.364 18282 5801 1 10 . 1 1 50 50 ILE C C 51 172.608 172.608 174.762 -2.154 18282 5802 1 10 . 1 1 50 50 ILE CA C 51 59.075 59.075 61.755 -2.680 18282 5803 1 10 . 1 1 50 50 ILE CB C 51 35.416 35.416 38.484 -3.068 18282 5804 1 10 . 1 1 51 51 ASP N N 52 121.859 121.859 126.829 -4.970 18282 5805 1 10 . 1 1 51 51 ASP HA H 52 4.625 4.625 4.830 -0.205 18282 5806 1 10 . 1 1 51 51 ASP C C 52 175.770 175.770 175.493 0.277 18282 5807 1 10 . 1 1 51 51 ASP CA C 52 51.634 51.634 52.910 -1.276 18282 5808 1 10 . 1 1 51 51 ASP CB C 52 42.528 42.528 42.059 0.469 18282 5809 1 10 . 1 1 51 51 ASP H H 52 7.176 7.176 8.336 -1.160 18282 5810 1 10 . 1 1 52 52 ILE N N 53 119.549 119.549 122.355 -2.806 18282 5811 1 10 . 1 1 52 52 ILE HA H 53 4.150 4.150 4.156 -0.006 18282 5812 1 10 . 1 1 52 52 ILE C C 53 176.961 176.961 177.327 -0.366 18282 5813 1 10 . 1 1 52 52 ILE CA C 53 61.899 61.899 62.543 -0.644 18282 5814 1 10 . 1 1 52 52 ILE CB C 53 37.700 37.700 38.437 -0.737 18282 5815 1 10 . 1 1 52 52 ILE H H 53 8.777 8.777 8.637 0.140 18282 5816 1 10 . 1 1 53 53 LYS N N 54 123.515 123.515 121.455 2.060 18282 5817 1 10 . 1 1 53 53 LYS HA H 54 4.116 4.116 4.008 0.108 18282 5818 1 10 . 1 1 53 53 LYS C C 54 180.448 180.448 179.103 1.345 18282 5819 1 10 . 1 1 53 53 LYS CA C 54 59.934 59.934 59.832 0.102 18282 5820 1 10 . 1 1 53 53 LYS CB C 54 31.875 31.875 31.742 0.133 18282 5821 1 10 . 1 1 53 53 LYS H H 54 8.106 8.106 8.365 -0.259 18282 5822 1 10 . 1 1 54 54 ARG N N 55 120.371 120.371 118.529 1.842 18282 5823 1 10 . 1 1 54 54 ARG HA H 55 4.422 4.422 4.027 0.395 18282 5824 1 10 . 1 1 54 54 ARG C C 55 179.159 179.159 178.159 1.000 18282 5825 1 10 . 1 1 54 54 ARG CA C 55 59.726 59.726 59.006 0.720 18282 5826 1 10 . 1 1 54 54 ARG CB C 55 37.368 37.368 29.543 7.825 18282 5827 1 10 . 1 1 54 54 ARG H H 55 9.183 9.183 8.272 0.911 18282 5828 1 10 . 1 1 55 55 TRP N N 56 120.755 120.755 120.760 -0.005 18282 5829 1 10 . 1 1 55 55 TRP HA H 56 4.747 4.747 3.922 0.825 18282 5830 1 10 . 1 1 55 55 TRP C C 56 179.954 179.954 177.596 2.358 18282 5831 1 10 . 1 1 55 55 TRP CA C 56 60.105 60.105 59.817 0.288 18282 5832 1 10 . 1 1 55 55 TRP CB C 56 29.997 29.997 29.108 0.889 18282 5833 1 10 . 1 1 55 55 TRP H H 56 8.927 8.927 7.447 1.480 18282 5834 1 10 . 1 1 56 56 ARG N N 57 122.194 122.194 118.345 3.849 18282 5835 1 10 . 1 1 56 56 ARG HA H 57 4.406 4.406 3.420 0.986 18282 5836 1 10 . 1 1 56 56 ARG C C 57 178.101 178.101 178.622 -0.521 18282 5837 1 10 . 1 1 56 56 ARG CA C 57 60.198 60.198 59.971 0.227 18282 5838 1 10 . 1 1 56 56 ARG CB C 57 29.585 29.585 29.844 -0.259 18282 5839 1 10 . 1 1 56 56 ARG H H 57 9.220 9.220 7.483 1.737 18282 5840 1 10 . 1 1 57 57 ARG N N 58 120.674 120.674 120.072 0.602 18282 5841 1 10 . 1 1 57 57 ARG HA H 58 4.186 4.186 4.171 0.015 18282 5842 1 10 . 1 1 57 57 ARG C C 58 179.445 179.445 178.849 0.596 18282 5843 1 10 . 1 1 57 57 ARG CA C 58 59.832 59.832 59.512 0.320 18282 5844 1 10 . 1 1 57 57 ARG CB C 58 29.753 29.753 30.049 -0.296 18282 5845 1 10 . 1 1 57 57 ARG H H 58 7.605 7.605 7.396 0.208 18282 5846 1 10 . 1 1 58 58 VAL N N 59 121.833 121.833 118.773 3.060 18282 5847 1 10 . 1 1 58 58 VAL HA H 59 3.675 3.675 3.928 -0.253 18282 5848 1 10 . 1 1 58 58 VAL C C 59 176.565 176.565 177.513 -0.948 18282 5849 1 10 . 1 1 58 58 VAL CA C 59 65.920 65.920 65.283 0.637 18282 5850 1 10 . 1 1 58 58 VAL CB C 59 30.785 30.785 31.351 -0.566 18282 5851 1 10 . 1 1 58 58 VAL H H 59 7.819 7.819 7.711 0.108 18282 5852 1 10 . 1 1 59 59 GLY N N 60 106.521 106.521 107.706 -1.185 18282 5853 1 10 . 1 1 59 59 GLY C C 60 175.923 175.923 175.499 0.424 18282 5854 1 10 . 1 1 59 59 GLY CA C 60 45.982 45.982 47.033 -1.051 18282 5855 1 10 . 1 1 59 59 GLY H H 60 7.540 7.540 8.011 -0.471 18282 5856 1 10 . 1 1 60 60 ASP N N 61 123.066 123.066 122.179 0.887 18282 5857 1 10 . 1 1 60 60 ASP HA H 61 4.261 4.261 4.411 -0.150 18282 5858 1 10 . 1 1 60 60 ASP C C 61 178.537 178.537 178.427 0.110 18282 5859 1 10 . 1 1 60 60 ASP CA C 61 56.907 56.907 56.357 0.550 18282 5860 1 10 . 1 1 60 60 ASP CB C 61 39.654 39.654 40.270 -0.616 18282 5861 1 10 . 1 1 60 60 ASP H H 61 8.197 8.197 8.288 -0.091 18282 5862 1 10 . 1 1 61 61 CYS N N 62 121.005 121.005 119.125 1.880 18282 5863 1 10 . 1 1 61 61 CYS C C 62 177.083 177.083 177.427 -0.344 18282 5864 1 10 . 1 1 61 61 CYS CA C 62 62.380 62.380 63.897 -1.517 18282 5865 1 10 . 1 1 61 61 CYS CB C 62 26.011 26.011 27.670 -1.659 18282 5866 1 10 . 1 1 61 61 CYS H H 62 7.858 7.858 7.581 0.277 18282 5867 1 10 . 1 1 62 62 PHE N N 63 119.362 119.362 119.128 0.234 18282 5868 1 10 . 1 1 62 62 PHE HA H 63 4.117 4.117 4.314 -0.197 18282 5869 1 10 . 1 1 62 62 PHE C C 63 178.081 178.081 177.896 0.185 18282 5870 1 10 . 1 1 62 62 PHE CA C 63 57.843 57.843 62.143 -4.300 18282 5871 1 10 . 1 1 62 62 PHE CB C 63 36.605 36.605 38.660 -2.055 18282 5872 1 10 . 1 1 62 62 PHE H H 63 8.530 8.530 8.443 0.087 18282 5873 1 10 . 1 1 63 63 GLN N N 64 118.829 118.829 120.247 -1.418 18282 5874 1 10 . 1 1 63 63 GLN HA H 64 4.199 4.199 4.042 0.157 18282 5875 1 10 . 1 1 63 63 GLN C C 64 177.645 177.645 177.777 -0.132 18282 5876 1 10 . 1 1 63 63 GLN CA C 64 59.094 59.094 59.638 -0.544 18282 5877 1 10 . 1 1 63 63 GLN CB C 64 28.337 28.337 28.525 -0.188 18282 5878 1 10 . 1 1 63 63 GLN H H 64 8.236 8.236 8.249 -0.013 18282 5879 1 10 . 1 1 64 64 ASP N N 65 120.234 120.234 120.221 0.013 18282 5880 1 10 . 1 1 64 64 ASP HA H 65 4.481 4.481 4.340 0.141 18282 5881 1 10 . 1 1 64 64 ASP CA C 65 57.301 57.301 56.911 0.390 18282 5882 1 10 . 1 1 64 64 ASP CB C 65 40.773 40.773 40.410 0.363 18282 5883 1 10 . 1 1 64 64 ASP H H 65 8.257 8.257 7.718 0.539 18282 5884 1 10 . 1 1 65 65 TYR HA H 66 4.598 4.598 4.169 0.429 18282 5885 1 10 . 1 1 65 65 TYR C C 66 178.524 178.524 178.434 0.090 18282 5886 1 10 . 1 1 65 65 TYR CA C 66 60.355 60.355 61.514 -1.159 18282 5887 1 10 . 1 1 65 65 TYR CB C 66 37.796 37.796 38.135 -0.338 18282 5888 1 10 . 1 1 66 66 TYR N N 67 122.741 122.741 120.155 2.586 18282 5889 1 10 . 1 1 66 66 TYR HA H 67 4.044 4.044 4.356 -0.312 18282 5890 1 10 . 1 1 66 66 TYR C C 67 178.220 178.220 177.715 0.505 18282 5891 1 10 . 1 1 66 66 TYR CA C 67 61.726 61.726 61.605 0.122 18282 5892 1 10 . 1 1 66 66 TYR CB C 67 38.932 38.932 38.666 0.266 18282 5893 1 10 . 1 1 66 66 TYR H H 67 9.083 9.083 8.661 0.422 18282 5894 1 10 . 1 1 67 67 ASN N N 68 118.530 118.530 116.585 1.945 18282 5895 1 10 . 1 1 67 67 ASN HA H 68 4.378 4.378 4.345 0.033 18282 5896 1 10 . 1 1 67 67 ASN C C 68 176.633 176.633 177.464 -0.831 18282 5897 1 10 . 1 1 67 67 ASN CA C 68 55.293 55.293 55.894 -0.601 18282 5898 1 10 . 1 1 67 67 ASN CB C 68 37.860 37.860 38.073 -0.213 18282 5899 1 10 . 1 1 67 67 ASN H H 68 8.796 8.796 7.970 0.826 18282 5900 1 10 . 1 1 68 68 THR N N 69 114.328 114.328 113.439 0.889 18282 5901 1 10 . 1 1 68 68 THR HA H 69 3.872 3.872 3.928 -0.056 18282 5902 1 10 . 1 1 68 68 THR C C 69 174.832 174.832 176.042 -1.210 18282 5903 1 10 . 1 1 68 68 THR CA C 69 65.224 65.224 64.694 0.530 18282 5904 1 10 . 1 1 68 68 THR CB C 69 69.484 69.484 68.469 1.015 18282 5905 1 10 . 1 1 68 68 THR H H 69 7.960 7.960 7.569 0.391 18282 5906 1 10 . 1 1 69 69 PHE N N 70 118.107 118.107 121.190 -3.083 18282 5907 1 10 . 1 1 69 69 PHE HA H 70 4.626 4.626 4.287 0.339 18282 5908 1 10 . 1 1 69 69 PHE C C 70 176.495 176.495 176.747 -0.252 18282 5909 1 10 . 1 1 69 69 PHE CA C 70 58.409 58.409 59.523 -1.114 18282 5910 1 10 . 1 1 69 69 PHE CB C 70 40.742 40.742 39.486 1.256 18282 5911 1 10 . 1 1 69 69 PHE H H 70 8.591 8.591 7.473 1.118 18282 5912 1 10 . 1 1 70 70 GLY N N 71 109.309 109.309 106.690 2.619 18282 5913 1 10 . 1 1 70 70 GLY CA C 71 44.684 44.684 44.216 0.468 18282 5914 1 10 . 1 1 70 70 GLY H H 71 7.893 7.893 7.491 0.402 18282 5915 1 10 . 1 1 71 71 PRO HA H 72 4.691 4.691 4.416 0.275 18282 5916 1 10 . 1 1 71 71 PRO C C 72 177.772 177.772 177.165 0.607 18282 5917 1 10 . 1 1 71 71 PRO CA C 72 63.458 63.458 62.731 0.727 18282 5918 1 10 . 1 1 71 71 PRO CB C 72 31.823 31.823 32.565 -0.742 18282 5919 1 10 . 1 1 72 72 GLU N N 73 117.421 117.421 125.471 -8.050 18282 5920 1 10 . 1 1 72 72 GLU HA H 73 4.061 4.061 4.159 -0.098 18282 5921 1 10 . 1 1 72 72 GLU C C 73 177.236 177.236 177.054 0.182 18282 5922 1 10 . 1 1 72 72 GLU CA C 73 58.570 58.570 58.428 0.142 18282 5923 1 10 . 1 1 72 72 GLU CB C 73 28.853 28.853 30.042 -1.189 18282 5924 1 10 . 1 1 72 72 GLU H H 73 8.595 8.595 9.118 -0.523 18282 5925 1 10 . 1 1 73 73 LYS N N 74 116.846 116.846 117.075 -0.229 18282 5926 1 10 . 1 1 73 73 LYS HA H 74 4.381 4.381 4.420 -0.039 18282 5927 1 10 . 1 1 73 73 LYS C C 74 175.662 175.662 175.715 -0.053 18282 5928 1 10 . 1 1 73 73 LYS CA C 74 55.263 55.263 56.097 -0.834 18282 5929 1 10 . 1 1 73 73 LYS CB C 74 33.891 33.891 32.654 1.237 18282 5930 1 10 . 1 1 73 73 LYS H H 74 7.493 7.493 8.227 -0.734 18282 5931 1 10 . 1 1 74 74 VAL N N 75 118.056 118.056 120.644 -2.588 18282 5932 1 10 . 1 1 74 74 VAL HA H 75 4.423 4.423 4.061 0.362 18282 5933 1 10 . 1 1 74 74 VAL CA C 75 58.438 58.438 62.052 -3.614 18282 5934 1 10 . 1 1 74 74 VAL CB C 75 33.763 33.763 31.517 2.246 18282 5935 1 10 . 1 1 74 74 VAL H H 75 7.342 7.342 8.104 -0.762 18282 5936 1 10 . 1 1 75 75 PRO HA H 76 4.585 4.585 4.429 0.156 18282 5937 1 10 . 1 1 75 75 PRO C C 76 178.543 178.543 177.151 1.392 18282 5938 1 10 . 1 1 75 75 PRO CA C 76 61.911 61.911 62.955 -1.044 18282 5939 1 10 . 1 1 75 75 PRO CB C 76 32.035 32.035 32.442 -0.407 18282 5940 1 10 . 1 1 76 76 VAL N N 77 119.825 119.825 126.519 -6.694 18282 5941 1 10 . 1 1 76 76 VAL HA H 77 3.921 3.921 3.891 0.030 18282 5942 1 10 . 1 1 76 76 VAL CA C 77 65.316 65.316 64.382 0.934 18282 5943 1 10 . 1 1 76 76 VAL CB C 77 31.316 31.316 31.101 0.215 18282 5944 1 10 . 1 1 76 76 VAL H H 77 8.604 8.604 8.485 0.119 18282 5945 1 10 . 1 1 77 77 THR N N 78 109.390 109.390 113.957 -4.567 18282 5946 1 10 . 1 1 77 77 THR HA H 78 3.914 3.914 4.065 -0.151 18282 5947 1 10 . 1 1 77 77 THR C C 78 175.732 175.732 176.121 -0.389 18282 5948 1 10 . 1 1 77 77 THR CA C 78 62.803 62.803 66.101 -3.298 18282 5949 1 10 . 1 1 77 77 THR CB C 78 68.357 68.357 68.005 0.352 18282 5950 1 10 . 1 1 77 77 THR H H 78 7.380 7.380 8.391 -1.011 18282 5951 1 10 . 1 1 78 78 ALA N N 79 123.661 123.661 124.221 -0.560 18282 5952 1 10 . 1 1 78 78 ALA HA H 79 4.001 4.001 4.299 -0.298 18282 5953 1 10 . 1 1 78 78 ALA C C 79 179.527 179.527 179.684 -0.157 18282 5954 1 10 . 1 1 78 78 ALA CA C 79 55.091 55.091 55.029 0.062 18282 5955 1 10 . 1 1 78 78 ALA CB C 79 17.561 17.561 18.578 -1.017 18282 5956 1 10 . 1 1 78 78 ALA H H 79 7.811 7.811 7.456 0.355 18282 5957 1 10 . 1 1 79 79 PHE N N 80 114.258 114.258 118.650 -4.392 18282 5958 1 10 . 1 1 79 79 PHE HA H 80 4.452 4.452 4.488 -0.036 18282 5959 1 10 . 1 1 79 79 PHE C C 80 178.586 178.586 177.815 0.771 18282 5960 1 10 . 1 1 79 79 PHE CA C 80 61.656 61.656 59.721 1.935 18282 5961 1 10 . 1 1 79 79 PHE CB C 80 37.694 37.694 38.694 -1.000 18282 5962 1 10 . 1 1 79 79 PHE H H 80 7.306 7.306 9.051 -1.745 18282 5963 1 10 . 1 1 80 80 SER N N 81 116.865 116.865 116.412 0.453 18282 5964 1 10 . 1 1 80 80 SER CA C 81 61.824 61.824 62.100 -0.276 18282 5965 1 10 . 1 1 80 80 SER H H 81 7.733 7.733 8.112 -0.379 18282 5966 1 10 . 1 1 81 81 TYR N N 82 121.932 121.932 122.097 -0.165 18282 5967 1 10 . 1 1 81 81 TYR HA H 82 4.133 4.133 4.135 -0.002 18282 5968 1 10 . 1 1 81 81 TYR C C 82 177.701 177.701 177.608 0.093 18282 5969 1 10 . 1 1 81 81 TYR CA C 82 60.027 60.027 61.407 -1.380 18282 5970 1 10 . 1 1 81 81 TYR CB C 82 34.104 34.104 38.204 -4.100 18282 5971 1 10 . 1 1 81 81 TYR H H 82 8.151 8.151 7.578 0.573 18282 5972 1 10 . 1 1 82 82 TRP N N 83 120.817 120.817 120.199 0.618 18282 5973 1 10 . 1 1 82 82 TRP HA H 83 4.436 4.436 4.194 0.242 18282 5974 1 10 . 1 1 82 82 TRP CA C 83 63.975 63.975 60.977 2.998 18282 5975 1 10 . 1 1 82 82 TRP CB C 83 28.557 28.557 29.358 -0.801 18282 5976 1 10 . 1 1 82 82 TRP H H 83 8.645 8.645 8.080 0.565 18282 5977 1 10 . 1 1 83 83 ASN HA H 84 4.230 4.230 3.799 0.431 18282 5978 1 10 . 1 1 83 83 ASN C C 84 176.140 176.140 177.583 -1.443 18282 5979 1 10 . 1 1 83 83 ASN CA C 84 56.683 56.683 55.909 0.774 18282 5980 1 10 . 1 1 83 83 ASN CB C 84 39.116 39.116 37.669 1.447 18282 5981 1 10 . 1 1 84 84 LEU N N 85 121.884 121.884 121.873 0.011 18282 5982 1 10 . 1 1 84 84 LEU HA H 85 4.054 4.054 4.068 -0.014 18282 5983 1 10 . 1 1 84 84 LEU C C 85 178.369 178.369 178.422 -0.053 18282 5984 1 10 . 1 1 84 84 LEU CA C 85 58.228 58.228 57.744 0.484 18282 5985 1 10 . 1 1 84 84 LEU CB C 85 41.576 41.576 41.850 -0.274 18282 5986 1 10 . 1 1 84 84 LEU H H 85 7.751 7.751 7.884 -0.133 18282 5987 1 10 . 1 1 85 85 ILE N N 86 116.825 116.825 119.107 -2.282 18282 5988 1 10 . 1 1 85 85 ILE HA H 86 3.462 3.462 3.622 -0.160 18282 5989 1 10 . 1 1 85 85 ILE C C 86 176.809 176.809 177.886 -1.077 18282 5990 1 10 . 1 1 85 85 ILE CA C 86 61.345 61.345 65.480 -4.135 18282 5991 1 10 . 1 1 85 85 ILE CB C 86 34.099 34.099 37.741 -3.642 18282 5992 1 10 . 1 1 85 85 ILE H H 86 7.952 7.952 8.629 -0.677 18282 5993 1 10 . 1 1 86 86 LYS N N 87 121.846 121.846 120.416 1.430 18282 5994 1 10 . 1 1 86 86 LYS HA H 87 3.231 3.231 3.832 -0.601 18282 5995 1 10 . 1 1 86 86 LYS C C 87 177.221 177.221 178.219 -0.998 18282 5996 1 10 . 1 1 86 86 LYS CA C 87 60.033 60.033 59.573 0.460 18282 5997 1 10 . 1 1 86 86 LYS CB C 87 31.005 31.005 31.872 -0.867 18282 5998 1 10 . 1 1 86 86 LYS H H 87 7.876 7.876 7.746 0.130 18282 5999 1 10 . 1 1 87 87 GLU N N 88 116.331 116.331 118.977 -2.646 18282 6000 1 10 . 1 1 87 87 GLU HA H 88 3.861 3.861 4.126 -0.265 18282 6001 1 10 . 1 1 87 87 GLU C C 88 178.810 178.810 178.815 -0.005 18282 6002 1 10 . 1 1 87 87 GLU CA C 88 58.949 58.949 58.076 0.873 18282 6003 1 10 . 1 1 87 87 GLU CB C 88 29.221 29.221 28.982 0.239 18282 6004 1 10 . 1 1 87 87 GLU H H 88 7.679 7.679 7.549 0.130 18282 6005 1 10 . 1 1 88 88 LEU N N 89 118.090 118.090 121.431 -3.341 18282 6006 1 10 . 1 1 88 88 LEU HA H 89 3.909 3.909 4.064 -0.155 18282 6007 1 10 . 1 1 88 88 LEU CA C 89 57.688 57.688 57.834 -0.146 18282 6008 1 10 . 1 1 88 88 LEU CB C 89 41.436 41.436 41.482 -0.046 18282 6009 1 10 . 1 1 88 88 LEU H H 89 7.441 7.441 8.158 -0.717 18282 6010 1 10 . 1 1 89 89 ILE HA H 90 3.344 3.344 3.759 -0.415 18282 6011 1 10 . 1 1 89 89 ILE CA C 90 65.082 65.082 64.722 0.360 18282 6012 1 10 . 1 1 89 89 ILE CB C 90 37.556 37.556 37.544 0.012 18282 6013 1 10 . 1 1 90 90 ASP HA H 91 3.894 3.894 4.439 -0.545 18282 6014 1 10 . 1 1 90 90 ASP CA C 91 57.678 57.678 55.641 2.037 18282 6015 1 10 . 1 1 90 90 ASP CB C 91 40.546 40.546 40.395 0.151 18282 6016 1 10 . 1 1 91 91 LYS N N 92 119.422 119.422 119.967 -0.545 18282 6017 1 10 . 1 1 91 91 LYS CA C 92 54.600 54.600 56.791 -2.191 18282 6018 1 10 . 1 1 91 91 LYS CB C 92 32.014 32.014 33.243 -1.229 18282 6019 1 10 . 1 1 91 91 LYS H H 92 7.903 7.903 7.326 0.577 18282 6020 1 10 . 1 1 92 92 LYS HA H 93 4.541 4.541 4.046 0.495 18282 6021 1 10 . 1 1 92 92 LYS CA C 93 55.202 55.202 59.002 -3.800 18282 6022 1 10 . 1 1 92 92 LYS CB C 93 31.758 31.758 32.366 -0.608 18282 6023 1 10 . 1 1 93 93 GLU N N 94 115.922 115.922 116.018 -0.096 18282 6024 1 10 . 1 1 93 93 GLU HA H 94 4.283 4.283 4.261 0.022 18282 6025 1 10 . 1 1 93 93 GLU C C 94 175.613 175.613 177.166 -1.553 18282 6026 1 10 . 1 1 93 93 GLU CA C 94 56.296 56.296 56.596 -0.299 18282 6027 1 10 . 1 1 93 93 GLU CB C 94 29.415 29.415 28.960 0.455 18282 6028 1 10 . 1 1 93 93 GLU H H 94 8.140 8.140 8.262 -0.122 18282 6029 1 10 . 1 1 94 94 VAL N N 95 121.304 121.304 115.721 5.583 18282 6030 1 10 . 1 1 94 94 VAL HA H 95 3.773 3.773 3.598 0.175 18282 6031 1 10 . 1 1 94 94 VAL CA C 95 62.257 62.257 64.781 -2.524 18282 6032 1 10 . 1 1 94 94 VAL CB C 95 32.047 32.047 30.532 1.515 18282 6033 1 10 . 1 1 94 94 VAL H H 95 8.003 8.003 7.791 0.212 18282 6034 1 10 . 1 1 95 95 ASN H H 96 7.518 7.518 7.987 -0.469 18282 6035 1 10 . 1 1 96 96 PRO HA H 97 4.319 4.319 4.100 0.219 18282 6036 1 10 . 1 1 96 96 PRO C C 97 179.088 179.088 177.669 1.419 18282 6037 1 10 . 1 1 96 96 PRO CA C 97 64.963 64.963 65.016 -0.053 18282 6038 1 10 . 1 1 96 96 PRO CB C 97 32.035 32.035 31.764 0.272 18282 6039 1 10 . 1 1 97 97 GLN N N 98 117.793 117.793 117.235 0.558 18282 6040 1 10 . 1 1 97 97 GLN HA H 98 3.952 3.952 4.072 -0.120 18282 6041 1 10 . 1 1 97 97 GLN C C 98 179.272 179.272 177.488 1.784 18282 6042 1 10 . 1 1 97 97 GLN CA C 98 55.691 55.691 58.436 -2.745 18282 6043 1 10 . 1 1 97 97 GLN CB C 98 28.378 28.378 27.351 1.027 18282 6044 1 10 . 1 1 97 97 GLN H H 98 8.351 8.351 8.522 -0.171 18282 6045 1 10 . 1 1 98 98 VAL N N 99 121.247 121.247 120.751 0.496 18282 6046 1 10 . 1 1 98 98 VAL HA H 99 3.440 3.440 3.723 -0.283 18282 6047 1 10 . 1 1 98 98 VAL CA C 99 67.776 67.776 65.935 1.841 18282 6048 1 10 . 1 1 98 98 VAL CB C 99 31.574 31.574 31.724 -0.150 18282 6049 1 10 . 1 1 98 98 VAL H H 99 7.901 7.901 7.956 -0.055 18282 6050 1 10 . 1 1 100 100 ALA HA H 101 4.218 4.218 4.103 0.115 18282 6051 1 10 . 1 1 100 100 ALA C C 101 179.599 179.599 178.971 0.628 18282 6052 1 10 . 1 1 100 100 ALA CA C 101 54.685 54.685 54.579 0.106 18282 6053 1 10 . 1 1 100 100 ALA CB C 101 17.562 17.562 18.053 -0.491 18282 6054 1 10 . 1 1 101 101 ALA N N 102 119.533 119.533 121.746 -2.213 18282 6055 1 10 . 1 1 101 101 ALA HA H 102 4.005 4.005 4.237 -0.232 18282 6056 1 10 . 1 1 101 101 ALA C C 102 180.970 180.970 179.762 1.208 18282 6057 1 10 . 1 1 101 101 ALA CA C 102 55.013 55.013 54.671 0.342 18282 6058 1 10 . 1 1 101 101 ALA CB C 102 17.422 17.422 17.998 -0.576 18282 6059 1 10 . 1 1 101 101 ALA H H 102 7.559 7.559 7.919 -0.360 18282 6060 1 10 . 1 1 102 102 VAL N N 103 122.669 122.669 118.307 4.362 18282 6061 1 10 . 1 1 102 102 VAL HA H 103 4.087 4.087 3.769 0.318 18282 6062 1 10 . 1 1 102 102 VAL C C 103 175.666 175.666 176.934 -1.268 18282 6063 1 10 . 1 1 102 102 VAL CA C 103 61.850 61.850 64.771 -2.921 18282 6064 1 10 . 1 1 102 102 VAL CB C 103 32.576 32.576 30.882 1.694 18282 6065 1 10 . 1 1 102 102 VAL H H 103 8.851 8.851 7.523 1.328 18282 6066 1 10 . 1 1 103 103 ALA N N 104 128.048 128.048 119.162 8.886 18282 6067 1 10 . 1 1 103 103 ALA HA H 104 4.288 4.288 4.107 0.181 18282 6068 1 10 . 1 1 103 103 ALA C C 104 177.344 177.344 176.909 0.435 18282 6069 1 10 . 1 1 103 103 ALA CA C 104 52.194 52.194 53.474 -1.280 18282 6070 1 10 . 1 1 103 103 ALA CB C 104 19.021 19.021 19.489 -0.468 18282 6071 1 10 . 1 1 103 103 ALA H H 104 8.374 8.374 8.154 0.220 18282 6072 1 10 . 1 1 104 104 GLN N N 105 120.285 120.285 114.269 6.016 18282 6073 1 10 . 1 1 104 104 GLN HA H 105 4.281 4.281 4.048 0.233 18282 6074 1 10 . 1 1 104 104 GLN CA C 105 55.656 55.656 56.450 -0.795 18282 6075 1 10 . 1 1 104 104 GLN CB C 105 32.581 32.581 27.809 4.772 18282 6076 1 10 . 1 1 104 104 GLN H H 105 8.374 8.374 7.675 0.699 18282 6077 1 10 . 1 1 105 105 THR HA H 106 4.293 4.293 4.133 0.160 18282 6078 1 10 . 1 1 105 105 THR C C 106 174.384 174.384 174.869 -0.485 18282 6079 1 10 . 1 1 105 105 THR CA C 106 61.663 61.663 64.356 -2.692 18282 6080 1 10 . 1 1 105 105 THR CB C 106 69.458 69.458 69.069 0.389 18282 6081 1 10 . 1 1 106 106 GLU N N 107 122.744 122.744 119.962 2.782 18282 6082 1 10 . 1 1 106 106 GLU HA H 107 4.241 4.241 4.566 -0.325 18282 6083 1 10 . 1 1 106 106 GLU C C 107 176.331 176.331 174.966 1.365 18282 6084 1 10 . 1 1 106 106 GLU CA C 107 56.621 56.621 54.941 1.680 18282 6085 1 10 . 1 1 106 106 GLU CB C 107 30.004 30.004 32.100 -2.096 18282 6086 1 10 . 1 1 106 106 GLU H H 107 8.415 8.415 7.705 0.710 18282 6087 1 10 . 1 1 107 107 GLU N N 108 121.993 121.993 120.806 1.187 18282 6088 1 10 . 1 1 107 107 GLU HA H 108 4.184 4.184 4.503 -0.319 18282 6089 1 10 . 1 1 107 107 GLU C C 108 176.404 176.404 177.967 -1.563 18282 6090 1 10 . 1 1 107 107 GLU CA C 108 56.721 56.721 55.710 1.011 18282 6091 1 10 . 1 1 107 107 GLU CB C 108 29.770 29.770 29.703 0.067 18282 6092 1 10 . 1 1 107 107 GLU H H 108 8.334 8.334 8.816 -0.482 18282 6093 1 10 . 1 1 108 108 ILE N N 109 122.204 122.204 124.056 -1.852 18282 6094 1 10 . 1 1 108 108 ILE HA H 109 4.052 4.052 3.718 0.334 18282 6095 1 10 . 1 1 108 108 ILE C C 109 176.261 176.261 176.927 -0.666 18282 6096 1 10 . 1 1 108 108 ILE CA C 109 61.245 61.245 63.818 -2.572 18282 6097 1 10 . 1 1 108 108 ILE CB C 109 38.157 38.157 37.753 0.404 18282 6098 1 10 . 1 1 108 108 ILE H H 109 8.068 8.068 8.930 -0.862 18282 6099 1 10 . 1 1 109 109 LEU N N 110 125.608 125.608 121.088 4.520 18282 6100 1 10 . 1 1 109 109 LEU HA H 110 4.295 4.295 3.921 0.374 18282 6101 1 10 . 1 1 109 109 LEU C C 110 177.275 177.275 179.051 -1.776 18282 6102 1 10 . 1 1 109 109 LEU CA C 110 55.103 55.103 57.918 -2.815 18282 6103 1 10 . 1 1 109 109 LEU CB C 110 41.929 41.929 41.293 0.636 18282 6104 1 10 . 1 1 109 109 LEU H H 110 8.187 8.187 7.684 0.503 18282 6105 1 10 . 1 1 110 110 LYS N N 111 122.154 122.154 119.231 2.923 18282 6106 1 10 . 1 1 110 110 LYS HA H 111 4.278 4.278 4.246 0.032 18282 6107 1 10 . 1 1 110 110 LYS C C 111 176.606 176.606 177.622 -1.016 18282 6108 1 10 . 1 1 110 110 LYS CA C 111 56.125 56.125 58.732 -2.607 18282 6109 1 10 . 1 1 110 110 LYS CB C 111 32.423 32.423 32.470 -0.047 18282 6110 1 10 . 1 1 110 110 LYS H H 111 8.206 8.206 8.455 -0.249 18282 6111 1 10 . 1 1 111 111 SER N N 112 116.381 116.381 113.335 3.046 18282 6112 1 10 . 1 1 111 111 SER HA H 112 4.395 4.395 4.240 0.155 18282 6113 1 10 . 1 1 111 111 SER C C 112 175.168 175.168 176.440 -1.272 18282 6114 1 10 . 1 1 111 111 SER CA C 112 58.456 58.456 61.091 -2.635 18282 6115 1 10 . 1 1 111 111 SER CB C 112 63.495 63.495 63.409 0.086 18282 6116 1 10 . 1 1 111 111 SER H H 112 8.217 8.217 7.616 0.601 18282 6117 1 10 . 1 1 112 112 ASN N N 113 119.799 119.799 119.150 0.649 18282 6118 1 10 . 1 1 112 112 ASN HA H 113 4.699 4.699 4.638 0.061 18282 6119 1 10 . 1 1 112 112 ASN C C 113 175.552 175.552 175.497 0.055 18282 6120 1 10 . 1 1 112 112 ASN CA C 113 53.592 53.592 55.119 -1.527 18282 6121 1 10 . 1 1 112 112 ASN CB C 113 38.772 38.772 39.339 -0.567 18282 6122 1 10 . 1 1 112 112 ASN H H 113 7.950 7.950 7.981 -0.031 18282 6123 1 10 . 1 1 113 113 SER N N 114 115.430 115.430 112.287 3.143 18282 6124 1 10 . 1 1 113 113 SER HA H 114 4.382 4.382 4.666 -0.284 18282 6125 1 10 . 1 1 113 113 SER C C 114 174.558 174.558 173.120 1.438 18282 6126 1 10 . 1 1 113 113 SER CA C 114 58.919 58.919 58.202 0.717 18282 6127 1 10 . 1 1 113 113 SER CB C 114 63.494 63.494 64.480 -0.986 18282 6128 1 10 . 1 1 113 113 SER H H 114 7.970 7.970 7.936 0.034 18282 6129 1 10 . 1 1 114 114 GLN N N 115 121.973 121.973 126.595 -4.622 18282 6130 1 10 . 1 1 114 114 GLN HA H 115 4.347 4.347 4.379 -0.032 18282 6131 1 10 . 1 1 114 114 GLN C C 115 176.246 176.246 176.495 -0.249 18282 6132 1 10 . 1 1 114 114 GLN CA C 115 56.036 56.036 56.050 -0.014 18282 6133 1 10 . 1 1 114 114 GLN CB C 115 29.196 29.196 28.177 1.019 18282 6134 1 10 . 1 1 114 114 GLN H H 115 8.382 8.382 8.815 -0.433 18282 6135 1 10 . 1 1 115 115 THR N N 116 114.701 114.701 112.825 1.876 18282 6136 1 10 . 1 1 115 115 THR HA H 116 4.238 4.238 3.967 0.271 18282 6137 1 10 . 1 1 115 115 THR C C 116 174.276 174.276 176.348 -2.072 18282 6138 1 10 . 1 1 115 115 THR CA C 116 62.221 62.221 65.264 -3.043 18282 6139 1 10 . 1 1 115 115 THR CB C 116 69.405 69.405 68.649 0.756 18282 6140 1 10 . 1 1 115 115 THR H H 116 8.070 8.070 7.533 0.537 18282 6141 1 10 . 1 1 116 116 ASP N N 117 122.566 122.566 122.825 -0.259 18282 6142 1 10 . 1 1 116 116 ASP HA H 117 4.575 4.575 4.431 0.144 18282 6143 1 10 . 1 1 116 116 ASP C C 117 176.241 176.241 175.846 0.395 18282 6144 1 10 . 1 1 116 116 ASP CA C 117 54.286 54.286 56.205 -1.919 18282 6145 1 10 . 1 1 116 116 ASP CB C 117 40.609 40.609 41.079 -0.470 18282 6146 1 10 . 1 1 116 116 ASP H H 117 8.288 8.288 8.295 -0.007 18282 6147 1 10 . 1 1 117 117 LEU N N 118 122.118 122.118 120.371 1.747 18282 6148 1 10 . 1 1 117 117 LEU HA H 118 4.163 4.163 4.410 -0.247 18282 6149 1 10 . 1 1 117 117 LEU C C 118 177.637 177.637 176.071 1.566 18282 6150 1 10 . 1 1 117 117 LEU CA C 118 55.475 55.475 53.625 1.850 18282 6151 1 10 . 1 1 117 117 LEU CB C 118 41.964 41.964 41.261 0.703 18282 6152 1 10 . 1 1 117 117 LEU H H 118 8.088 8.088 7.979 0.109 18282 6153 1 10 . 1 1 118 118 GLU N N 119 119.527 119.527 121.681 -2.154 18282 6154 1 10 . 1 1 118 118 GLU HA H 119 4.086 4.086 4.143 -0.057 18282 6155 1 10 . 1 1 118 118 GLU C C 119 176.265 176.265 175.787 0.478 18282 6156 1 10 . 1 1 118 118 GLU CA C 119 56.569 56.569 58.017 -1.448 18282 6157 1 10 . 1 1 118 118 GLU CB C 119 29.486 29.486 30.328 -0.842 18282 6158 1 10 . 1 1 118 118 GLU H H 119 8.134 8.134 8.413 -0.279 18282 6159 1 10 . 1 1 119 119 HIS N N 120 118.076 118.076 113.299 4.777 18282 6160 1 10 . 1 1 119 119 HIS HA H 120 4.485 4.485 4.585 -0.100 18282 6161 1 10 . 1 1 119 119 HIS CA C 120 55.422 55.422 54.816 0.606 18282 6162 1 10 . 1 1 119 119 HIS CB C 120 28.628 28.628 30.203 -1.575 18282 6163 1 10 . 1 1 119 119 HIS H H 120 8.134 8.134 7.393 0.741 18282 6164 1 10 . 1 1 120 120 HIS N N 121 119.323 119.323 117.899 1.424 18282 6165 1 10 . 1 1 120 120 HIS HA H 121 4.242 4.242 4.855 -0.613 18282 6166 1 10 . 1 1 120 120 HIS CA C 121 56.732 56.732 55.456 1.276 18282 6167 1 10 . 1 1 120 120 HIS H H 121 8.372 8.372 8.404 -0.032 18282 6168 1 10 . 1 1 121 121 HIS N N 122 126.032 126.032 121.036 4.996 18282 6169 1 10 . 1 1 121 121 HIS CA C 122 57.036 57.036 55.970 1.066 18282 6170 1 10 . 1 1 121 121 HIS CB C 122 29.923 29.923 31.664 -1.741 18282 6171 1 10 . 1 1 121 121 HIS H H 122 7.900 7.900 8.757 -0.857 18282 6172 1 10 . 1 1 122 122 HIS N N 123 121.012 121.012 123.897 -2.885 18282 6173 1 10 . 1 1 122 122 HIS HA H 123 4.595 4.595 4.374 0.221 18282 6174 1 10 . 1 1 122 122 HIS CA C 123 55.372 55.372 57.852 -2.481 18282 6175 1 10 . 1 1 122 122 HIS CB C 123 29.165 29.165 30.108 -0.943 18282 6176 1 10 . 1 1 122 122 HIS H H 123 8.595 8.595 9.021 -0.426 18282 6177 1 10 . 1 1 123 123 HIS N N 124 120.343 120.343 116.203 4.140 18282 6178 1 10 . 1 1 123 123 HIS CA C 124 57.380 57.380 58.293 -0.913 18282 6179 1 10 . 1 1 123 123 HIS CB C 124 35.491 35.491 29.730 5.761 18282 6180 1 10 . 1 1 123 123 HIS H H 124 8.558 8.558 8.625 -0.067 18282 6181 1 11 . 1 1 2 2 GLN N N 3 122.228 122.228 120.255 1.973 18282 6182 1 11 . 1 1 2 2 GLN HA H 3 3.896 3.896 4.068 -0.172 18282 6183 1 11 . 1 1 2 2 GLN C C 3 178.672 178.672 178.224 0.448 18282 6184 1 11 . 1 1 2 2 GLN CA C 3 58.794 58.794 58.150 0.644 18282 6185 1 11 . 1 1 2 2 GLN H H 3 9.310 9.310 8.597 0.713 18282 6186 1 11 . 1 1 3 3 GLU N N 4 119.529 119.529 119.794 -0.265 18282 6187 1 11 . 1 1 3 3 GLU C C 4 175.504 175.504 178.621 -3.117 18282 6188 1 11 . 1 1 3 3 GLU CA C 4 59.561 59.561 58.352 1.209 18282 6189 1 11 . 1 1 3 3 GLU CB C 4 28.876 28.876 28.819 0.057 18282 6190 1 11 . 1 1 3 3 GLU H H 4 8.489 8.489 8.778 -0.289 18282 6191 1 11 . 1 1 4 4 LEU N N 5 114.832 114.832 122.239 -7.407 18282 6192 1 11 . 1 1 4 4 LEU HA H 5 3.716 3.716 3.961 -0.245 18282 6193 1 11 . 1 1 4 4 LEU C C 5 178.276 178.276 178.016 0.260 18282 6194 1 11 . 1 1 4 4 LEU CA C 5 57.813 57.813 57.905 -0.092 18282 6195 1 11 . 1 1 4 4 LEU CB C 5 40.844 40.844 41.693 -0.849 18282 6196 1 11 . 1 1 4 4 LEU H H 5 8.210 8.210 7.684 0.526 18282 6197 1 11 . 1 1 5 5 SER N N 6 109.726 109.726 114.586 -4.860 18282 6198 1 11 . 1 1 5 5 SER HA H 6 4.127 4.127 4.132 -0.005 18282 6199 1 11 . 1 1 5 5 SER C C 6 178.508 178.508 176.919 1.589 18282 6200 1 11 . 1 1 5 5 SER CA C 6 60.401 60.401 61.823 -1.422 18282 6201 1 11 . 1 1 5 5 SER CB C 6 63.535 63.535 62.726 0.809 18282 6202 1 11 . 1 1 5 5 SER H H 6 8.247 8.247 7.996 0.251 18282 6203 1 11 . 1 1 6 6 GLN N N 7 117.203 117.203 119.240 -2.037 18282 6204 1 11 . 1 1 6 6 GLN HA H 7 4.026 4.026 4.125 -0.099 18282 6205 1 11 . 1 1 6 6 GLN CA C 7 58.474 58.474 58.356 0.118 18282 6206 1 11 . 1 1 6 6 GLN H H 7 8.719 8.719 8.788 -0.069 18282 6207 1 11 . 1 1 7 7 HIS C C 8 178.622 178.622 177.303 1.319 18282 6208 1 11 . 1 1 8 8 GLU N N 9 120.357 120.357 119.370 0.987 18282 6209 1 11 . 1 1 8 8 GLU HA H 9 3.969 3.969 4.153 -0.184 18282 6210 1 11 . 1 1 8 8 GLU C C 9 178.408 178.408 179.122 -0.714 18282 6211 1 11 . 1 1 8 8 GLU CA C 9 58.244 58.244 59.648 -1.404 18282 6212 1 11 . 1 1 8 8 GLU CB C 9 29.013 29.013 29.663 -0.649 18282 6213 1 11 . 1 1 8 8 GLU H H 9 7.701 7.701 7.861 -0.160 18282 6214 1 11 . 1 1 9 9 ARG N N 10 118.791 118.791 118.188 0.603 18282 6215 1 11 . 1 1 9 9 ARG HA H 10 4.124 4.124 3.993 0.131 18282 6216 1 11 . 1 1 9 9 ARG C C 10 178.599 178.599 178.680 -0.081 18282 6217 1 11 . 1 1 9 9 ARG CA C 10 58.633 58.633 59.146 -0.513 18282 6218 1 11 . 1 1 9 9 ARG CB C 10 29.005 29.005 30.158 -1.153 18282 6219 1 11 . 1 1 9 9 ARG H H 10 8.910 8.910 7.666 1.244 18282 6220 1 11 . 1 1 10 10 TYR N N 11 121.239 121.239 120.673 0.566 18282 6221 1 11 . 1 1 10 10 TYR HA H 11 4.186 4.186 4.078 0.108 18282 6222 1 11 . 1 1 10 10 TYR C C 11 176.644 176.644 177.709 -1.065 18282 6223 1 11 . 1 1 10 10 TYR CA C 11 61.311 61.311 61.705 -0.394 18282 6224 1 11 . 1 1 10 10 TYR CB C 11 37.956 37.956 38.060 -0.104 18282 6225 1 11 . 1 1 10 10 TYR H H 11 7.562 7.562 8.629 -1.067 18282 6226 1 11 . 1 1 11 11 VAL N N 12 119.249 119.249 118.722 0.527 18282 6227 1 11 . 1 1 11 11 VAL HA H 12 3.119 3.119 3.545 -0.426 18282 6228 1 11 . 1 1 11 11 VAL C C 12 177.275 177.275 178.040 -0.765 18282 6229 1 11 . 1 1 11 11 VAL CA C 12 66.925 66.925 66.123 0.802 18282 6230 1 11 . 1 1 11 11 VAL CB C 12 30.981 30.981 31.750 -0.769 18282 6231 1 11 . 1 1 11 11 VAL H H 12 8.087 8.087 7.524 0.563 18282 6232 1 11 . 1 1 12 12 GLU N N 13 119.569 119.569 118.418 1.151 18282 6233 1 11 . 1 1 12 12 GLU HA H 13 4.213 4.213 3.932 0.281 18282 6234 1 11 . 1 1 12 12 GLU C C 13 175.207 175.207 178.732 -3.525 18282 6235 1 11 . 1 1 12 12 GLU CA C 13 55.971 55.971 59.205 -3.234 18282 6236 1 11 . 1 1 12 12 GLU CB C 13 28.439 28.439 29.636 -1.197 18282 6237 1 11 . 1 1 12 12 GLU H H 13 8.312 8.312 7.536 0.776 18282 6238 1 11 . 1 1 13 13 GLN N N 14 119.375 119.375 120.280 -0.905 18282 6239 1 11 . 1 1 13 13 GLN HA H 14 3.657 3.657 3.984 -0.327 18282 6240 1 11 . 1 1 13 13 GLN CA C 14 54.294 54.294 58.495 -4.201 18282 6241 1 11 . 1 1 13 13 GLN CB C 14 29.681 29.681 28.320 1.361 18282 6242 1 11 . 1 1 13 13 GLN H H 14 7.690 7.690 8.844 -1.154 18282 6243 1 11 . 1 1 14 14 LEU HA H 15 3.865 3.865 3.714 0.151 18282 6244 1 11 . 1 1 14 14 LEU CA C 15 58.177 58.177 57.345 0.832 18282 6245 1 11 . 1 1 14 14 LEU CB C 15 40.693 40.693 40.695 -0.002 18282 6246 1 11 . 1 1 15 15 LYS HA H 16 3.737 3.737 3.785 -0.048 18282 6247 1 11 . 1 1 15 15 LYS C C 16 177.817 177.817 179.462 -1.645 18282 6248 1 11 . 1 1 15 15 LYS CA C 16 60.352 60.352 59.388 0.964 18282 6249 1 11 . 1 1 15 15 LYS CB C 16 32.106 32.106 32.033 0.073 18282 6250 1 11 . 1 1 16 16 GLN N N 17 117.498 117.498 118.430 -0.932 18282 6251 1 11 . 1 1 16 16 GLN HA H 17 3.864 3.864 3.983 -0.119 18282 6252 1 11 . 1 1 16 16 GLN CA C 17 58.307 58.307 58.383 -0.076 18282 6253 1 11 . 1 1 16 16 GLN CB C 17 27.788 27.788 28.576 -0.788 18282 6254 1 11 . 1 1 16 16 GLN H H 17 7.862 7.862 7.816 0.046 18282 6255 1 11 . 1 1 17 17 ALA HA H 18 3.793 3.793 3.990 -0.197 18282 6256 1 11 . 1 1 17 17 ALA C C 18 179.147 179.147 179.184 -0.037 18282 6257 1 11 . 1 1 17 17 ALA CA C 18 54.792 54.792 54.702 0.090 18282 6258 1 11 . 1 1 17 17 ALA CB C 18 17.693 17.693 18.200 -0.507 18282 6259 1 11 . 1 1 18 18 LEU N N 19 117.278 117.278 117.140 0.138 18282 6260 1 11 . 1 1 18 18 LEU HA H 19 3.784 3.784 3.947 -0.163 18282 6261 1 11 . 1 1 18 18 LEU C C 19 174.935 174.935 178.461 -3.526 18282 6262 1 11 . 1 1 18 18 LEU CA C 19 57.731 57.731 56.435 1.296 18282 6263 1 11 . 1 1 18 18 LEU CB C 19 40.703 40.703 41.716 -1.013 18282 6264 1 11 . 1 1 18 18 LEU H H 19 8.168 8.168 7.398 0.770 18282 6265 1 11 . 1 1 19 19 LYS N N 20 118.025 118.025 120.459 -2.434 18282 6266 1 11 . 1 1 19 19 LYS C C 20 177.982 177.982 179.191 -1.209 18282 6267 1 11 . 1 1 19 19 LYS CA C 20 60.439 60.439 59.304 1.135 18282 6268 1 11 . 1 1 19 19 LYS H H 20 8.345 8.345 7.570 0.775 18282 6269 1 11 . 1 1 20 20 THR N N 21 116.345 116.345 111.305 5.040 18282 6270 1 11 . 1 1 20 20 THR HA H 21 4.126 4.126 4.120 0.006 18282 6271 1 11 . 1 1 20 20 THR C C 21 175.469 175.469 175.912 -0.443 18282 6272 1 11 . 1 1 20 20 THR CA C 21 64.643 64.643 64.132 0.511 18282 6273 1 11 . 1 1 20 20 THR CB C 21 68.652 68.652 68.776 -0.124 18282 6274 1 11 . 1 1 20 20 THR H H 21 7.896 7.896 7.573 0.323 18282 6275 1 11 . 1 1 21 21 ARG N N 22 118.792 118.792 120.267 -1.475 18282 6276 1 11 . 1 1 21 21 ARG HA H 22 4.375 4.375 4.298 0.077 18282 6277 1 11 . 1 1 21 21 ARG C C 22 176.364 176.364 176.961 -0.597 18282 6278 1 11 . 1 1 21 21 ARG CA C 22 54.157 54.157 54.980 -0.823 18282 6279 1 11 . 1 1 21 21 ARG CB C 22 29.453 29.453 29.189 0.264 18282 6280 1 11 . 1 1 21 21 ARG H H 22 7.317 7.317 7.738 -0.421 18282 6281 1 11 . 1 1 22 22 GLY N N 23 108.428 108.428 106.695 1.733 18282 6282 1 11 . 1 1 22 22 GLY C C 23 174.154 174.154 173.985 0.169 18282 6283 1 11 . 1 1 22 22 GLY CA C 23 45.953 45.953 45.007 0.946 18282 6284 1 11 . 1 1 22 22 GLY H H 23 7.881 7.881 7.637 0.244 18282 6285 1 11 . 1 1 23 23 VAL N N 24 117.319 117.319 118.900 -1.581 18282 6286 1 11 . 1 1 23 23 VAL HA H 24 4.036 4.036 4.231 -0.195 18282 6287 1 11 . 1 1 23 23 VAL C C 24 175.601 175.601 175.256 0.345 18282 6288 1 11 . 1 1 23 23 VAL CA C 24 61.635 61.635 60.665 0.970 18282 6289 1 11 . 1 1 23 23 VAL CB C 24 32.589 32.589 33.476 -0.887 18282 6290 1 11 . 1 1 23 23 VAL H H 24 7.431 7.431 7.269 0.162 18282 6291 1 11 . 1 1 24 24 LYS N N 25 127.424 127.424 123.032 4.392 18282 6292 1 11 . 1 1 24 24 LYS HA H 25 4.336 4.336 4.539 -0.203 18282 6293 1 11 . 1 1 24 24 LYS C C 25 175.550 175.550 174.984 0.566 18282 6294 1 11 . 1 1 24 24 LYS CA C 25 55.811 55.811 55.379 0.432 18282 6295 1 11 . 1 1 24 24 LYS CB C 25 32.269 32.269 34.428 -2.159 18282 6296 1 11 . 1 1 24 24 LYS H H 25 8.665 8.665 8.310 0.355 18282 6297 1 11 . 1 1 25 25 VAL N N 26 120.764 120.764 117.814 2.950 18282 6298 1 11 . 1 1 25 25 VAL HA H 26 4.140 4.140 4.564 -0.424 18282 6299 1 11 . 1 1 25 25 VAL C C 26 174.206 174.206 174.617 -0.411 18282 6300 1 11 . 1 1 25 25 VAL CA C 26 60.316 60.316 61.001 -0.684 18282 6301 1 11 . 1 1 25 25 VAL CB C 26 33.920 33.920 32.319 1.601 18282 6302 1 11 . 1 1 25 25 VAL H H 26 7.545 7.545 8.320 -0.775 18282 6303 1 11 . 1 1 26 26 LYS N N 27 125.707 125.707 125.858 -0.151 18282 6304 1 11 . 1 1 26 26 LYS HA H 27 4.115 4.115 4.600 -0.485 18282 6305 1 11 . 1 1 26 26 LYS CA C 27 55.211 55.211 54.007 1.204 18282 6306 1 11 . 1 1 26 26 LYS CB C 27 31.930 31.930 36.179 -4.249 18282 6307 1 11 . 1 1 26 26 LYS H H 27 8.608 8.608 9.202 -0.594 18282 6308 1 11 . 1 1 27 27 TYR CA C 28 56.418 56.418 62.075 -5.657 18282 6309 1 11 . 1 1 27 27 TYR CB C 28 37.036 37.036 37.469 -0.433 18282 6310 1 11 . 1 1 28 28 ALA N N 29 120.712 120.712 120.711 0.001 18282 6311 1 11 . 1 1 28 28 ALA HA H 29 3.712 3.712 4.045 -0.333 18282 6312 1 11 . 1 1 28 28 ALA C C 29 180.210 180.210 179.562 0.648 18282 6313 1 11 . 1 1 28 28 ALA CA C 29 54.911 54.911 54.657 0.253 18282 6314 1 11 . 1 1 28 28 ALA CB C 29 18.034 18.034 17.578 0.456 18282 6315 1 11 . 1 1 28 28 ALA H H 29 8.326 8.326 8.317 0.009 18282 6316 1 11 . 1 1 29 29 ASP N N 30 117.166 117.166 119.665 -2.499 18282 6317 1 11 . 1 1 29 29 ASP HA H 30 4.379 4.379 4.316 0.063 18282 6318 1 11 . 1 1 29 29 ASP C C 30 178.427 178.427 178.539 -0.112 18282 6319 1 11 . 1 1 29 29 ASP CA C 30 56.459 56.459 58.475 -2.016 18282 6320 1 11 . 1 1 29 29 ASP CB C 30 39.962 39.962 40.546 -0.584 18282 6321 1 11 . 1 1 29 29 ASP H H 30 6.913 6.913 8.908 -1.995 18282 6322 1 11 . 1 1 30 30 LEU N N 31 123.105 123.105 120.022 3.083 18282 6323 1 11 . 1 1 30 30 LEU HA H 31 3.491 3.491 4.244 -0.753 18282 6324 1 11 . 1 1 30 30 LEU CA C 31 56.841 56.841 58.304 -1.463 18282 6325 1 11 . 1 1 30 30 LEU CB C 31 40.888 40.888 42.016 -1.128 18282 6326 1 11 . 1 1 30 30 LEU H H 31 7.543 7.543 7.577 -0.034 18282 6327 1 11 . 1 1 31 31 LEU HA H 32 3.611 3.611 3.954 -0.343 18282 6328 1 11 . 1 1 31 31 LEU C C 32 179.120 179.120 179.417 -0.297 18282 6329 1 11 . 1 1 31 31 LEU CA C 32 58.103 58.103 58.097 0.006 18282 6330 1 11 . 1 1 31 31 LEU CB C 32 40.594 40.594 41.178 -0.584 18282 6331 1 11 . 1 1 32 32 LYS N N 33 118.074 118.074 118.644 -0.570 18282 6332 1 11 . 1 1 32 32 LYS HA H 33 4.202 4.202 4.154 0.048 18282 6333 1 11 . 1 1 32 32 LYS C C 33 180.044 180.044 178.644 1.400 18282 6334 1 11 . 1 1 32 32 LYS CA C 33 59.081 59.081 58.996 0.085 18282 6335 1 11 . 1 1 32 32 LYS CB C 33 31.735 31.735 32.696 -0.960 18282 6336 1 11 . 1 1 32 32 LYS H H 33 7.189 7.189 8.021 -0.832 18282 6337 1 11 . 1 1 33 33 PHE N N 34 122.977 122.977 120.813 2.164 18282 6338 1 11 . 1 1 33 33 PHE CA C 34 60.402 60.402 61.683 -1.281 18282 6339 1 11 . 1 1 33 33 PHE H H 34 7.768 7.768 8.860 -1.092 18282 6340 1 11 . 1 1 34 34 PHE HA H 35 3.800 3.800 4.078 -0.278 18282 6341 1 11 . 1 1 34 34 PHE C C 35 176.355 176.355 177.185 -0.830 18282 6342 1 11 . 1 1 34 34 PHE CA C 35 61.813 61.813 62.072 -0.259 18282 6343 1 11 . 1 1 34 34 PHE CB C 35 37.164 37.164 39.027 -1.863 18282 6344 1 11 . 1 1 35 35 ASP N N 36 119.969 119.969 119.927 0.042 18282 6345 1 11 . 1 1 35 35 ASP C C 36 177.087 177.087 178.999 -1.912 18282 6346 1 11 . 1 1 35 35 ASP CA C 36 58.278 58.278 57.446 0.832 18282 6347 1 11 . 1 1 35 35 ASP CB C 36 39.578 39.578 40.289 -0.711 18282 6348 1 11 . 1 1 35 35 ASP H H 36 8.338 8.338 7.978 0.360 18282 6349 1 11 . 1 1 36 36 PHE N N 37 122.901 122.901 119.478 3.423 18282 6350 1 11 . 1 1 36 36 PHE C C 37 178.788 178.788 178.007 0.781 18282 6351 1 11 . 1 1 36 36 PHE CA C 37 61.416 61.416 60.706 0.710 18282 6352 1 11 . 1 1 36 36 PHE CB C 37 38.369 38.369 38.717 -0.348 18282 6353 1 11 . 1 1 36 36 PHE H H 37 7.860 7.860 8.323 -0.463 18282 6354 1 11 . 1 1 37 37 VAL N N 38 122.329 122.329 114.631 7.698 18282 6355 1 11 . 1 1 37 37 VAL HA H 38 3.100 3.100 3.691 -0.591 18282 6356 1 11 . 1 1 37 37 VAL C C 38 176.147 176.147 177.693 -1.546 18282 6357 1 11 . 1 1 37 37 VAL CA C 38 67.153 67.153 65.166 1.987 18282 6358 1 11 . 1 1 37 37 VAL CB C 38 30.625 30.625 31.803 -1.178 18282 6359 1 11 . 1 1 37 37 VAL H H 38 8.451 8.451 7.752 0.699 18282 6360 1 11 . 1 1 38 38 LYS N N 39 118.837 118.837 120.580 -1.743 18282 6361 1 11 . 1 1 38 38 LYS HA H 39 3.473 3.473 3.990 -0.517 18282 6362 1 11 . 1 1 38 38 LYS C C 39 176.361 176.361 178.187 -1.826 18282 6363 1 11 . 1 1 38 38 LYS CA C 39 59.519 59.519 59.524 -0.005 18282 6364 1 11 . 1 1 38 38 LYS CB C 39 31.628 31.628 32.286 -0.658 18282 6365 1 11 . 1 1 38 38 LYS H H 39 7.581 7.581 8.280 -0.699 18282 6366 1 11 . 1 1 39 39 ASP N N 40 116.210 116.210 118.908 -2.698 18282 6367 1 11 . 1 1 39 39 ASP HA H 40 4.261 4.261 4.474 -0.213 18282 6368 1 11 . 1 1 39 39 ASP CA C 40 56.580 56.580 56.787 -0.207 18282 6369 1 11 . 1 1 39 39 ASP CB C 40 40.977 40.977 40.841 0.136 18282 6370 1 11 . 1 1 39 39 ASP H H 40 8.052 8.052 8.281 -0.229 18282 6371 1 11 . 1 1 40 40 THR N N 41 109.215 109.215 108.971 0.244 18282 6372 1 11 . 1 1 40 40 THR C C 41 174.559 174.559 174.391 0.168 18282 6373 1 11 . 1 1 40 40 THR H H 41 7.232 7.232 7.622 -0.390 18282 6374 1 11 . 1 1 41 41 CYS N N 42 117.927 117.927 119.724 -1.797 18282 6375 1 11 . 1 1 41 41 CYS CA C 42 55.865 55.865 58.296 -2.431 18282 6376 1 11 . 1 1 41 41 CYS CB C 42 28.500 28.500 25.674 2.826 18282 6377 1 11 . 1 1 41 41 CYS H H 42 7.197 7.197 8.264 -1.067 18282 6378 1 11 . 1 1 42 42 PRO HA H 43 3.987 3.987 3.913 0.074 18282 6379 1 11 . 1 1 42 42 PRO C C 43 176.688 176.688 176.433 0.255 18282 6380 1 11 . 1 1 42 42 PRO CA C 43 65.206 65.206 63.854 1.352 18282 6381 1 11 . 1 1 42 42 PRO CB C 43 30.767 30.767 32.037 -1.270 18282 6382 1 11 . 1 1 43 43 TRP N N 44 113.805 113.805 115.871 -2.066 18282 6383 1 11 . 1 1 43 43 TRP HA H 44 4.361 4.361 4.698 -0.337 18282 6384 1 11 . 1 1 43 43 TRP C C 44 176.982 176.982 175.857 1.125 18282 6385 1 11 . 1 1 43 43 TRP CA C 44 61.758 61.758 57.536 4.222 18282 6386 1 11 . 1 1 43 43 TRP CB C 44 27.771 27.771 28.633 -0.862 18282 6387 1 11 . 1 1 43 43 TRP H H 44 6.632 6.632 7.942 -1.310 18282 6388 1 11 . 1 1 44 44 PHE N N 45 123.019 123.019 113.461 9.558 18282 6389 1 11 . 1 1 44 44 PHE HA H 45 4.043 4.043 4.177 -0.134 18282 6390 1 11 . 1 1 44 44 PHE CA C 45 62.990 62.990 58.158 4.832 18282 6391 1 11 . 1 1 44 44 PHE CB C 45 35.109 35.109 36.183 -1.074 18282 6392 1 11 . 1 1 44 44 PHE H H 45 7.302 7.302 6.926 0.376 18282 6393 1 11 . 1 1 45 45 PRO HA H 46 4.015 4.015 4.165 -0.150 18282 6394 1 11 . 1 1 45 45 PRO C C 46 176.462 176.462 177.503 -1.041 18282 6395 1 11 . 1 1 45 45 PRO CA C 46 64.582 64.582 64.902 -0.320 18282 6396 1 11 . 1 1 45 45 PRO CB C 46 30.254 30.254 31.543 -1.289 18282 6397 1 11 . 1 1 46 46 GLN N N 47 114.404 114.404 117.208 -2.804 18282 6398 1 11 . 1 1 46 46 GLN HA H 47 3.941 3.941 4.072 -0.131 18282 6399 1 11 . 1 1 46 46 GLN C C 47 177.234 177.234 177.284 -0.050 18282 6400 1 11 . 1 1 46 46 GLN CA C 47 58.328 58.328 58.404 -0.076 18282 6401 1 11 . 1 1 46 46 GLN CB C 47 28.471 28.471 28.401 0.070 18282 6402 1 11 . 1 1 46 46 GLN H H 47 6.544 6.544 8.220 -1.676 18282 6403 1 11 . 1 1 47 47 GLU N N 48 117.356 117.356 116.877 0.479 18282 6404 1 11 . 1 1 47 47 GLU HA H 48 4.085 4.085 4.340 -0.255 18282 6405 1 11 . 1 1 47 47 GLU C C 48 179.130 179.130 177.301 1.829 18282 6406 1 11 . 1 1 47 47 GLU CA C 48 58.215 58.215 56.376 1.839 18282 6407 1 11 . 1 1 47 47 GLU CB C 48 29.247 29.247 31.165 -1.918 18282 6408 1 11 . 1 1 47 47 GLU H H 48 7.710 7.710 8.211 -0.501 18282 6409 1 11 . 1 1 48 48 GLY N N 49 105.456 105.456 108.519 -3.063 18282 6410 1 11 . 1 1 48 48 GLY C C 49 171.006 171.006 173.739 -2.733 18282 6411 1 11 . 1 1 48 48 GLY CA C 49 47.085 47.085 45.213 1.872 18282 6412 1 11 . 1 1 48 48 GLY H H 49 7.296 7.296 7.954 -0.658 18282 6413 1 11 . 1 1 49 49 THR N N 50 114.015 114.015 114.454 -0.439 18282 6414 1 11 . 1 1 49 49 THR HA H 50 4.248 4.248 4.676 -0.428 18282 6415 1 11 . 1 1 49 49 THR CA C 50 61.830 61.830 59.532 2.298 18282 6416 1 11 . 1 1 49 49 THR CB C 50 70.692 70.692 71.564 -0.872 18282 6417 1 11 . 1 1 49 49 THR H H 50 7.599 7.599 7.517 0.082 18282 6418 1 11 . 1 1 50 50 ILE HA H 51 4.135 4.135 4.485 -0.350 18282 6419 1 11 . 1 1 50 50 ILE C C 51 172.608 172.608 174.724 -2.116 18282 6420 1 11 . 1 1 50 50 ILE CA C 51 59.075 59.075 60.788 -1.713 18282 6421 1 11 . 1 1 50 50 ILE CB C 51 35.416 35.416 39.648 -4.232 18282 6422 1 11 . 1 1 51 51 ASP N N 52 121.859 121.859 127.420 -5.561 18282 6423 1 11 . 1 1 51 51 ASP HA H 52 4.625 4.625 5.042 -0.417 18282 6424 1 11 . 1 1 51 51 ASP C C 52 175.770 175.770 175.694 0.076 18282 6425 1 11 . 1 1 51 51 ASP CA C 52 51.634 51.634 53.272 -1.637 18282 6426 1 11 . 1 1 51 51 ASP CB C 52 42.528 42.528 42.375 0.153 18282 6427 1 11 . 1 1 51 51 ASP H H 52 7.176 7.176 9.560 -2.384 18282 6428 1 11 . 1 1 52 52 ILE N N 53 119.549 119.549 123.480 -3.931 18282 6429 1 11 . 1 1 52 52 ILE HA H 53 4.150 4.150 4.363 -0.213 18282 6430 1 11 . 1 1 52 52 ILE C C 53 176.961 176.961 177.465 -0.504 18282 6431 1 11 . 1 1 52 52 ILE CA C 53 61.899 61.899 62.712 -0.813 18282 6432 1 11 . 1 1 52 52 ILE CB C 53 37.700 37.700 38.695 -0.995 18282 6433 1 11 . 1 1 52 52 ILE H H 53 8.777 8.777 8.750 0.027 18282 6434 1 11 . 1 1 53 53 LYS N N 54 123.515 123.515 120.937 2.578 18282 6435 1 11 . 1 1 53 53 LYS HA H 54 4.116 4.116 4.089 0.027 18282 6436 1 11 . 1 1 53 53 LYS C C 54 180.448 180.448 178.682 1.766 18282 6437 1 11 . 1 1 53 53 LYS CA C 54 59.934 59.934 59.733 0.201 18282 6438 1 11 . 1 1 53 53 LYS CB C 54 31.875 31.875 32.350 -0.475 18282 6439 1 11 . 1 1 53 53 LYS H H 54 8.106 8.106 8.363 -0.257 18282 6440 1 11 . 1 1 54 54 ARG N N 55 120.371 120.371 119.556 0.815 18282 6441 1 11 . 1 1 54 54 ARG HA H 55 4.422 4.422 4.003 0.419 18282 6442 1 11 . 1 1 54 54 ARG C C 55 179.159 179.159 177.906 1.253 18282 6443 1 11 . 1 1 54 54 ARG CA C 55 59.726 59.726 59.300 0.427 18282 6444 1 11 . 1 1 54 54 ARG CB C 55 37.368 37.368 29.614 7.754 18282 6445 1 11 . 1 1 54 54 ARG H H 55 9.183 9.183 8.478 0.705 18282 6446 1 11 . 1 1 55 55 TRP N N 56 120.755 120.755 118.894 1.861 18282 6447 1 11 . 1 1 55 55 TRP HA H 56 4.747 4.747 3.860 0.887 18282 6448 1 11 . 1 1 55 55 TRP C C 56 179.954 179.954 177.443 2.511 18282 6449 1 11 . 1 1 55 55 TRP CA C 56 60.105 60.105 59.995 0.110 18282 6450 1 11 . 1 1 55 55 TRP CB C 56 29.997 29.997 29.138 0.859 18282 6451 1 11 . 1 1 55 55 TRP H H 56 8.927 8.927 7.758 1.169 18282 6452 1 11 . 1 1 56 56 ARG N N 57 122.194 122.194 117.587 4.607 18282 6453 1 11 . 1 1 56 56 ARG HA H 57 4.406 4.406 3.498 0.908 18282 6454 1 11 . 1 1 56 56 ARG C C 57 178.101 178.101 178.425 -0.324 18282 6455 1 11 . 1 1 56 56 ARG CA C 57 60.198 60.198 59.630 0.568 18282 6456 1 11 . 1 1 56 56 ARG CB C 57 29.585 29.585 29.741 -0.155 18282 6457 1 11 . 1 1 56 56 ARG H H 57 9.220 9.220 7.442 1.778 18282 6458 1 11 . 1 1 57 57 ARG N N 58 120.674 120.674 119.883 0.791 18282 6459 1 11 . 1 1 57 57 ARG HA H 58 4.186 4.186 3.916 0.270 18282 6460 1 11 . 1 1 57 57 ARG C C 58 179.445 179.445 178.745 0.700 18282 6461 1 11 . 1 1 57 57 ARG CA C 58 59.832 59.832 59.475 0.357 18282 6462 1 11 . 1 1 57 57 ARG CB C 58 29.753 29.753 29.843 -0.090 18282 6463 1 11 . 1 1 57 57 ARG H H 58 7.605 7.605 7.428 0.177 18282 6464 1 11 . 1 1 58 58 VAL N N 59 121.833 121.833 119.256 2.577 18282 6465 1 11 . 1 1 58 58 VAL HA H 59 3.675 3.675 3.797 -0.122 18282 6466 1 11 . 1 1 58 58 VAL C C 59 176.565 176.565 177.222 -0.657 18282 6467 1 11 . 1 1 58 58 VAL CA C 59 65.920 65.920 65.414 0.506 18282 6468 1 11 . 1 1 58 58 VAL CB C 59 30.785 30.785 31.267 -0.482 18282 6469 1 11 . 1 1 58 58 VAL H H 59 7.819 7.819 7.716 0.103 18282 6470 1 11 . 1 1 59 59 GLY N N 60 106.521 106.521 106.946 -0.425 18282 6471 1 11 . 1 1 59 59 GLY C C 60 175.923 175.923 175.798 0.125 18282 6472 1 11 . 1 1 59 59 GLY CA C 60 45.982 45.982 46.945 -0.963 18282 6473 1 11 . 1 1 59 59 GLY H H 60 7.540 7.540 8.032 -0.492 18282 6474 1 11 . 1 1 60 60 ASP N N 61 123.066 123.066 123.612 -0.546 18282 6475 1 11 . 1 1 60 60 ASP HA H 61 4.261 4.261 4.508 -0.247 18282 6476 1 11 . 1 1 60 60 ASP C C 61 178.537 178.537 178.365 0.172 18282 6477 1 11 . 1 1 60 60 ASP CA C 61 56.907 56.907 57.238 -0.331 18282 6478 1 11 . 1 1 60 60 ASP CB C 61 39.654 39.654 40.541 -0.887 18282 6479 1 11 . 1 1 60 60 ASP H H 61 8.197 8.197 8.140 0.057 18282 6480 1 11 . 1 1 61 61 CYS N N 62 121.005 121.005 119.130 1.875 18282 6481 1 11 . 1 1 61 61 CYS C C 62 177.083 177.083 176.641 0.442 18282 6482 1 11 . 1 1 61 61 CYS CA C 62 62.380 62.380 64.227 -1.847 18282 6483 1 11 . 1 1 61 61 CYS CB C 62 26.011 26.011 27.211 -1.200 18282 6484 1 11 . 1 1 61 61 CYS H H 62 7.858 7.858 7.593 0.266 18282 6485 1 11 . 1 1 62 62 PHE N N 63 119.362 119.362 118.515 0.847 18282 6486 1 11 . 1 1 62 62 PHE HA H 63 4.117 4.117 4.316 -0.199 18282 6487 1 11 . 1 1 62 62 PHE C C 63 178.081 178.081 178.024 0.057 18282 6488 1 11 . 1 1 62 62 PHE CA C 63 57.843 57.843 62.168 -4.325 18282 6489 1 11 . 1 1 62 62 PHE CB C 63 36.605 36.605 38.773 -2.168 18282 6490 1 11 . 1 1 62 62 PHE H H 63 8.530 8.530 7.925 0.605 18282 6491 1 11 . 1 1 63 63 GLN N N 64 118.829 118.829 120.339 -1.510 18282 6492 1 11 . 1 1 63 63 GLN HA H 64 4.199 4.199 4.023 0.176 18282 6493 1 11 . 1 1 63 63 GLN C C 64 177.645 177.645 177.853 -0.208 18282 6494 1 11 . 1 1 63 63 GLN CA C 64 59.094 59.094 59.516 -0.422 18282 6495 1 11 . 1 1 63 63 GLN CB C 64 28.337 28.337 28.474 -0.137 18282 6496 1 11 . 1 1 63 63 GLN H H 64 8.236 8.236 8.323 -0.087 18282 6497 1 11 . 1 1 64 64 ASP N N 65 120.234 120.234 120.256 -0.022 18282 6498 1 11 . 1 1 64 64 ASP HA H 65 4.481 4.481 4.335 0.146 18282 6499 1 11 . 1 1 64 64 ASP CA C 65 57.301 57.301 56.915 0.386 18282 6500 1 11 . 1 1 64 64 ASP CB C 65 40.773 40.773 40.423 0.350 18282 6501 1 11 . 1 1 64 64 ASP H H 65 8.257 8.257 7.806 0.451 18282 6502 1 11 . 1 1 65 65 TYR HA H 66 4.598 4.598 4.259 0.339 18282 6503 1 11 . 1 1 65 65 TYR C C 66 178.524 178.524 178.484 0.040 18282 6504 1 11 . 1 1 65 65 TYR CA C 66 60.355 60.355 61.383 -1.028 18282 6505 1 11 . 1 1 65 65 TYR CB C 66 37.796 37.796 38.174 -0.378 18282 6506 1 11 . 1 1 66 66 TYR N N 67 122.741 122.741 120.203 2.538 18282 6507 1 11 . 1 1 66 66 TYR HA H 67 4.044 4.044 4.197 -0.153 18282 6508 1 11 . 1 1 66 66 TYR C C 67 178.220 178.220 177.621 0.599 18282 6509 1 11 . 1 1 66 66 TYR CA C 67 61.726 61.726 61.831 -0.105 18282 6510 1 11 . 1 1 66 66 TYR CB C 67 38.932 38.932 38.479 0.453 18282 6511 1 11 . 1 1 66 66 TYR H H 67 9.083 9.083 8.908 0.175 18282 6512 1 11 . 1 1 67 67 ASN N N 68 118.530 118.530 116.237 2.293 18282 6513 1 11 . 1 1 67 67 ASN HA H 68 4.378 4.378 4.361 0.017 18282 6514 1 11 . 1 1 67 67 ASN C C 68 176.633 176.633 177.421 -0.788 18282 6515 1 11 . 1 1 67 67 ASN CA C 68 55.293 55.293 55.833 -0.540 18282 6516 1 11 . 1 1 67 67 ASN CB C 68 37.860 37.860 38.037 -0.177 18282 6517 1 11 . 1 1 67 67 ASN H H 68 8.796 8.796 7.931 0.865 18282 6518 1 11 . 1 1 68 68 THR N N 69 114.328 114.328 113.622 0.706 18282 6519 1 11 . 1 1 68 68 THR HA H 69 3.872 3.872 4.023 -0.151 18282 6520 1 11 . 1 1 68 68 THR C C 69 174.832 174.832 176.326 -1.494 18282 6521 1 11 . 1 1 68 68 THR CA C 69 65.224 65.224 64.838 0.386 18282 6522 1 11 . 1 1 68 68 THR CB C 69 69.484 69.484 68.729 0.755 18282 6523 1 11 . 1 1 68 68 THR H H 69 7.960 7.960 7.501 0.459 18282 6524 1 11 . 1 1 69 69 PHE N N 70 118.107 118.107 121.575 -3.468 18282 6525 1 11 . 1 1 69 69 PHE HA H 70 4.626 4.626 4.285 0.341 18282 6526 1 11 . 1 1 69 69 PHE C C 70 176.495 176.495 176.477 0.018 18282 6527 1 11 . 1 1 69 69 PHE CA C 70 58.409 58.409 59.730 -1.321 18282 6528 1 11 . 1 1 69 69 PHE CB C 70 40.742 40.742 39.642 1.100 18282 6529 1 11 . 1 1 69 69 PHE H H 70 8.591 8.591 7.637 0.954 18282 6530 1 11 . 1 1 70 70 GLY N N 71 109.309 109.309 106.884 2.425 18282 6531 1 11 . 1 1 70 70 GLY CA C 71 44.684 44.684 44.130 0.554 18282 6532 1 11 . 1 1 70 70 GLY H H 71 7.893 7.893 7.460 0.433 18282 6533 1 11 . 1 1 71 71 PRO HA H 72 4.691 4.691 4.401 0.290 18282 6534 1 11 . 1 1 71 71 PRO C C 72 177.772 177.772 176.866 0.906 18282 6535 1 11 . 1 1 71 71 PRO CA C 72 63.458 63.458 62.537 0.921 18282 6536 1 11 . 1 1 71 71 PRO CB C 72 31.823 31.823 32.164 -0.341 18282 6537 1 11 . 1 1 72 72 GLU N N 73 117.421 117.421 125.309 -7.888 18282 6538 1 11 . 1 1 72 72 GLU HA H 73 4.061 4.061 4.119 -0.058 18282 6539 1 11 . 1 1 72 72 GLU C C 73 177.236 177.236 177.166 0.070 18282 6540 1 11 . 1 1 72 72 GLU CA C 73 58.570 58.570 58.534 0.036 18282 6541 1 11 . 1 1 72 72 GLU CB C 73 28.853 28.853 30.017 -1.164 18282 6542 1 11 . 1 1 72 72 GLU H H 73 8.595 8.595 9.008 -0.413 18282 6543 1 11 . 1 1 73 73 LYS N N 74 116.846 116.846 116.743 0.103 18282 6544 1 11 . 1 1 73 73 LYS HA H 74 4.381 4.381 4.443 -0.062 18282 6545 1 11 . 1 1 73 73 LYS C C 74 175.662 175.662 175.552 0.110 18282 6546 1 11 . 1 1 73 73 LYS CA C 74 55.263 55.263 56.102 -0.839 18282 6547 1 11 . 1 1 73 73 LYS CB C 74 33.891 33.891 32.932 0.959 18282 6548 1 11 . 1 1 73 73 LYS H H 74 7.493 7.493 8.216 -0.723 18282 6549 1 11 . 1 1 74 74 VAL N N 75 118.056 118.056 120.446 -2.390 18282 6550 1 11 . 1 1 74 74 VAL HA H 75 4.423 4.423 4.070 0.353 18282 6551 1 11 . 1 1 74 74 VAL CA C 75 58.438 58.438 62.546 -4.108 18282 6552 1 11 . 1 1 74 74 VAL CB C 75 33.763 33.763 31.055 2.708 18282 6553 1 11 . 1 1 74 74 VAL H H 75 7.342 7.342 8.139 -0.797 18282 6554 1 11 . 1 1 75 75 PRO HA H 76 4.585 4.585 4.450 0.135 18282 6555 1 11 . 1 1 75 75 PRO C C 76 178.543 178.543 177.392 1.151 18282 6556 1 11 . 1 1 75 75 PRO CA C 76 61.911 61.911 62.854 -0.943 18282 6557 1 11 . 1 1 75 75 PRO CB C 76 32.035 32.035 32.523 -0.488 18282 6558 1 11 . 1 1 76 76 VAL N N 77 119.825 119.825 126.660 -6.835 18282 6559 1 11 . 1 1 76 76 VAL HA H 77 3.921 3.921 3.910 0.011 18282 6560 1 11 . 1 1 76 76 VAL CA C 77 65.316 65.316 64.162 1.154 18282 6561 1 11 . 1 1 76 76 VAL CB C 77 31.316 31.316 31.104 0.212 18282 6562 1 11 . 1 1 76 76 VAL H H 77 8.604 8.604 8.477 0.127 18282 6563 1 11 . 1 1 77 77 THR N N 78 109.390 109.390 113.423 -4.033 18282 6564 1 11 . 1 1 77 77 THR HA H 78 3.914 3.914 3.977 -0.063 18282 6565 1 11 . 1 1 77 77 THR C C 78 175.732 175.732 176.197 -0.465 18282 6566 1 11 . 1 1 77 77 THR CA C 78 62.803 62.803 65.955 -3.152 18282 6567 1 11 . 1 1 77 77 THR CB C 78 68.357 68.357 68.280 0.077 18282 6568 1 11 . 1 1 77 77 THR H H 78 7.380 7.380 8.398 -1.018 18282 6569 1 11 . 1 1 78 78 ALA N N 79 123.661 123.661 124.194 -0.533 18282 6570 1 11 . 1 1 78 78 ALA HA H 79 4.001 4.001 4.331 -0.330 18282 6571 1 11 . 1 1 78 78 ALA C C 79 179.527 179.527 180.039 -0.512 18282 6572 1 11 . 1 1 78 78 ALA CA C 79 55.091 55.091 55.007 0.084 18282 6573 1 11 . 1 1 78 78 ALA CB C 79 17.561 17.561 18.354 -0.792 18282 6574 1 11 . 1 1 78 78 ALA H H 79 7.811 7.811 7.614 0.197 18282 6575 1 11 . 1 1 79 79 PHE N N 80 114.258 114.258 118.217 -3.959 18282 6576 1 11 . 1 1 79 79 PHE HA H 80 4.452 4.452 4.603 -0.151 18282 6577 1 11 . 1 1 79 79 PHE C C 80 178.586 178.586 178.084 0.502 18282 6578 1 11 . 1 1 79 79 PHE CA C 80 61.656 61.656 59.746 1.910 18282 6579 1 11 . 1 1 79 79 PHE CB C 80 37.694 37.694 38.626 -0.932 18282 6580 1 11 . 1 1 79 79 PHE H H 80 7.306 7.306 9.092 -1.786 18282 6581 1 11 . 1 1 80 80 SER N N 81 116.865 116.865 116.100 0.765 18282 6582 1 11 . 1 1 80 80 SER CA C 81 61.824 61.824 62.039 -0.215 18282 6583 1 11 . 1 1 80 80 SER H H 81 7.733 7.733 7.868 -0.135 18282 6584 1 11 . 1 1 81 81 TYR N N 82 121.932 121.932 121.932 0.000 18282 6585 1 11 . 1 1 81 81 TYR HA H 82 4.133 4.133 4.125 0.008 18282 6586 1 11 . 1 1 81 81 TYR C C 82 177.701 177.701 177.497 0.204 18282 6587 1 11 . 1 1 81 81 TYR CA C 82 60.027 60.027 62.289 -2.262 18282 6588 1 11 . 1 1 81 81 TYR CB C 82 34.104 34.104 38.156 -4.051 18282 6589 1 11 . 1 1 81 81 TYR H H 82 8.151 8.151 7.853 0.298 18282 6590 1 11 . 1 1 82 82 TRP N N 83 120.817 120.817 119.942 0.875 18282 6591 1 11 . 1 1 82 82 TRP HA H 83 4.436 4.436 4.260 0.176 18282 6592 1 11 . 1 1 82 82 TRP CA C 83 63.975 63.975 61.214 2.761 18282 6593 1 11 . 1 1 82 82 TRP CB C 83 28.557 28.557 29.340 -0.783 18282 6594 1 11 . 1 1 82 82 TRP H H 83 8.645 8.645 8.155 0.490 18282 6595 1 11 . 1 1 83 83 ASN HA H 84 4.230 4.230 3.796 0.434 18282 6596 1 11 . 1 1 83 83 ASN C C 84 176.140 176.140 177.578 -1.438 18282 6597 1 11 . 1 1 83 83 ASN CA C 84 56.683 56.683 55.946 0.737 18282 6598 1 11 . 1 1 83 83 ASN CB C 84 39.116 39.116 37.769 1.347 18282 6599 1 11 . 1 1 84 84 LEU N N 85 121.884 121.884 121.964 -0.080 18282 6600 1 11 . 1 1 84 84 LEU HA H 85 4.054 4.054 4.058 -0.004 18282 6601 1 11 . 1 1 84 84 LEU C C 85 178.369 178.369 178.330 0.039 18282 6602 1 11 . 1 1 84 84 LEU CA C 85 58.228 58.228 57.734 0.494 18282 6603 1 11 . 1 1 84 84 LEU CB C 85 41.576 41.576 41.826 -0.250 18282 6604 1 11 . 1 1 84 84 LEU H H 85 7.751 7.751 7.953 -0.202 18282 6605 1 11 . 1 1 85 85 ILE N N 86 116.825 116.825 118.843 -2.018 18282 6606 1 11 . 1 1 85 85 ILE HA H 86 3.462 3.462 3.582 -0.120 18282 6607 1 11 . 1 1 85 85 ILE C C 86 176.809 176.809 177.998 -1.189 18282 6608 1 11 . 1 1 85 85 ILE CA C 86 61.345 61.345 65.314 -3.969 18282 6609 1 11 . 1 1 85 85 ILE CB C 86 34.099 34.099 37.633 -3.534 18282 6610 1 11 . 1 1 85 85 ILE H H 86 7.952 7.952 8.487 -0.535 18282 6611 1 11 . 1 1 86 86 LYS N N 87 121.846 121.846 119.661 2.185 18282 6612 1 11 . 1 1 86 86 LYS HA H 87 3.231 3.231 3.877 -0.646 18282 6613 1 11 . 1 1 86 86 LYS C C 87 177.221 177.221 178.113 -0.892 18282 6614 1 11 . 1 1 86 86 LYS CA C 87 60.033 60.033 59.757 0.276 18282 6615 1 11 . 1 1 86 86 LYS CB C 87 31.005 31.005 31.723 -0.718 18282 6616 1 11 . 1 1 86 86 LYS H H 87 7.876 7.876 7.769 0.107 18282 6617 1 11 . 1 1 87 87 GLU N N 88 116.331 116.331 119.586 -3.255 18282 6618 1 11 . 1 1 87 87 GLU HA H 88 3.861 3.861 4.118 -0.257 18282 6619 1 11 . 1 1 87 87 GLU C C 88 178.810 178.810 178.610 0.200 18282 6620 1 11 . 1 1 87 87 GLU CA C 88 58.949 58.949 58.298 0.651 18282 6621 1 11 . 1 1 87 87 GLU CB C 88 29.221 29.221 28.823 0.398 18282 6622 1 11 . 1 1 87 87 GLU H H 88 7.679 7.679 7.593 0.086 18282 6623 1 11 . 1 1 88 88 LEU N N 89 118.090 118.090 121.877 -3.787 18282 6624 1 11 . 1 1 88 88 LEU HA H 89 3.909 3.909 4.052 -0.143 18282 6625 1 11 . 1 1 88 88 LEU CA C 89 57.688 57.688 57.890 -0.202 18282 6626 1 11 . 1 1 88 88 LEU CB C 89 41.436 41.436 41.480 -0.044 18282 6627 1 11 . 1 1 88 88 LEU H H 89 7.441 7.441 8.174 -0.733 18282 6628 1 11 . 1 1 89 89 ILE HA H 90 3.344 3.344 3.729 -0.385 18282 6629 1 11 . 1 1 89 89 ILE CA C 90 65.082 65.082 64.343 0.739 18282 6630 1 11 . 1 1 89 89 ILE CB C 90 37.556 37.556 37.990 -0.434 18282 6631 1 11 . 1 1 90 90 ASP HA H 91 3.894 3.894 4.361 -0.467 18282 6632 1 11 . 1 1 90 90 ASP CA C 91 57.678 57.678 55.865 1.813 18282 6633 1 11 . 1 1 90 90 ASP CB C 91 40.546 40.546 41.059 -0.513 18282 6634 1 11 . 1 1 91 91 LYS N N 92 119.422 119.422 118.558 0.864 18282 6635 1 11 . 1 1 91 91 LYS CA C 92 54.600 54.600 56.165 -1.565 18282 6636 1 11 . 1 1 91 91 LYS CB C 92 32.014 32.014 33.027 -1.013 18282 6637 1 11 . 1 1 91 91 LYS H H 92 7.903 7.903 7.448 0.455 18282 6638 1 11 . 1 1 92 92 LYS HA H 93 4.541 4.541 4.123 0.418 18282 6639 1 11 . 1 1 92 92 LYS CA C 93 55.202 55.202 57.468 -2.266 18282 6640 1 11 . 1 1 92 92 LYS CB C 93 31.758 31.758 32.086 -0.328 18282 6641 1 11 . 1 1 93 93 GLU N N 94 115.922 115.922 118.304 -2.382 18282 6642 1 11 . 1 1 93 93 GLU HA H 94 4.283 4.283 4.122 0.161 18282 6643 1 11 . 1 1 93 93 GLU C C 94 175.613 175.613 177.214 -1.601 18282 6644 1 11 . 1 1 93 93 GLU CA C 94 56.296 56.296 57.825 -1.530 18282 6645 1 11 . 1 1 93 93 GLU CB C 94 29.415 29.415 29.678 -0.263 18282 6646 1 11 . 1 1 93 93 GLU H H 94 8.140 8.140 8.307 -0.167 18282 6647 1 11 . 1 1 94 94 VAL N N 95 121.304 121.304 117.883 3.421 18282 6648 1 11 . 1 1 94 94 VAL HA H 95 3.773 3.773 3.964 -0.191 18282 6649 1 11 . 1 1 94 94 VAL CA C 95 62.257 62.257 62.263 -0.006 18282 6650 1 11 . 1 1 94 94 VAL CB C 95 32.047 32.047 31.973 0.074 18282 6651 1 11 . 1 1 94 94 VAL H H 95 8.003 8.003 7.355 0.648 18282 6652 1 11 . 1 1 95 95 ASN H H 96 7.518 7.518 8.121 -0.603 18282 6653 1 11 . 1 1 96 96 PRO HA H 97 4.319 4.319 4.121 0.198 18282 6654 1 11 . 1 1 96 96 PRO C C 97 179.088 179.088 177.812 1.276 18282 6655 1 11 . 1 1 96 96 PRO CA C 97 64.963 64.963 65.249 -0.286 18282 6656 1 11 . 1 1 96 96 PRO CB C 97 32.035 32.035 31.650 0.385 18282 6657 1 11 . 1 1 97 97 GLN N N 98 117.793 117.793 116.046 1.747 18282 6658 1 11 . 1 1 97 97 GLN HA H 98 3.952 3.952 4.162 -0.210 18282 6659 1 11 . 1 1 97 97 GLN C C 98 179.272 179.272 177.902 1.370 18282 6660 1 11 . 1 1 97 97 GLN CA C 98 55.691 55.691 58.592 -2.901 18282 6661 1 11 . 1 1 97 97 GLN CB C 98 28.378 28.378 27.605 0.773 18282 6662 1 11 . 1 1 97 97 GLN H H 98 8.351 8.351 8.683 -0.332 18282 6663 1 11 . 1 1 98 98 VAL N N 99 121.247 121.247 120.591 0.656 18282 6664 1 11 . 1 1 98 98 VAL HA H 99 3.440 3.440 3.774 -0.334 18282 6665 1 11 . 1 1 98 98 VAL CA C 99 67.776 67.776 66.041 1.735 18282 6666 1 11 . 1 1 98 98 VAL CB C 99 31.574 31.574 31.671 -0.097 18282 6667 1 11 . 1 1 98 98 VAL H H 99 7.901 7.901 7.888 0.013 18282 6668 1 11 . 1 1 100 100 ALA HA H 101 4.218 4.218 4.037 0.181 18282 6669 1 11 . 1 1 100 100 ALA C C 101 179.599 179.599 179.220 0.379 18282 6670 1 11 . 1 1 100 100 ALA CA C 101 54.685 54.685 54.690 -0.005 18282 6671 1 11 . 1 1 100 100 ALA CB C 101 17.562 17.562 17.856 -0.294 18282 6672 1 11 . 1 1 101 101 ALA N N 102 119.533 119.533 121.443 -1.910 18282 6673 1 11 . 1 1 101 101 ALA HA H 102 4.005 4.005 4.033 -0.028 18282 6674 1 11 . 1 1 101 101 ALA C C 102 180.970 180.970 179.124 1.846 18282 6675 1 11 . 1 1 101 101 ALA CA C 102 55.013 55.013 54.075 0.938 18282 6676 1 11 . 1 1 101 101 ALA CB C 102 17.422 17.422 18.170 -0.748 18282 6677 1 11 . 1 1 101 101 ALA H H 102 7.559 7.559 7.605 -0.046 18282 6678 1 11 . 1 1 102 102 VAL N N 103 122.669 122.669 118.762 3.907 18282 6679 1 11 . 1 1 102 102 VAL HA H 103 4.087 4.087 3.586 0.501 18282 6680 1 11 . 1 1 102 102 VAL C C 103 175.666 175.666 177.308 -1.642 18282 6681 1 11 . 1 1 102 102 VAL CA C 103 61.850 61.850 65.247 -3.397 18282 6682 1 11 . 1 1 102 102 VAL CB C 103 32.576 32.576 30.594 1.982 18282 6683 1 11 . 1 1 102 102 VAL H H 103 8.851 8.851 7.966 0.885 18282 6684 1 11 . 1 1 103 103 ALA N N 104 128.048 128.048 121.946 6.102 18282 6685 1 11 . 1 1 103 103 ALA HA H 104 4.288 4.288 3.934 0.354 18282 6686 1 11 . 1 1 103 103 ALA C C 104 177.344 177.344 179.621 -2.277 18282 6687 1 11 . 1 1 103 103 ALA CA C 104 52.194 52.194 55.128 -2.934 18282 6688 1 11 . 1 1 103 103 ALA CB C 104 19.021 19.021 18.296 0.725 18282 6689 1 11 . 1 1 103 103 ALA H H 104 8.374 8.374 7.718 0.656 18282 6690 1 11 . 1 1 104 104 GLN N N 105 120.285 120.285 116.720 3.565 18282 6691 1 11 . 1 1 104 104 GLN HA H 105 4.281 4.281 4.110 0.171 18282 6692 1 11 . 1 1 104 104 GLN CA C 105 55.656 55.656 57.405 -1.749 18282 6693 1 11 . 1 1 104 104 GLN CB C 105 32.581 32.581 28.540 4.041 18282 6694 1 11 . 1 1 104 104 GLN H H 105 8.374 8.374 7.602 0.772 18282 6695 1 11 . 1 1 105 105 THR HA H 106 4.293 4.293 3.953 0.340 18282 6696 1 11 . 1 1 105 105 THR C C 106 174.384 174.384 174.825 -0.441 18282 6697 1 11 . 1 1 105 105 THR CA C 106 61.663 61.663 63.369 -1.706 18282 6698 1 11 . 1 1 105 105 THR CB C 106 69.458 69.458 69.083 0.375 18282 6699 1 11 . 1 1 106 106 GLU N N 107 122.744 122.744 118.181 4.563 18282 6700 1 11 . 1 1 106 106 GLU HA H 107 4.241 4.241 3.880 0.361 18282 6701 1 11 . 1 1 106 106 GLU C C 107 176.331 176.331 175.273 1.058 18282 6702 1 11 . 1 1 106 106 GLU CA C 107 56.621 56.621 57.886 -1.265 18282 6703 1 11 . 1 1 106 106 GLU CB C 107 30.004 30.004 29.507 0.497 18282 6704 1 11 . 1 1 106 106 GLU H H 107 8.415 8.415 7.496 0.919 18282 6705 1 11 . 1 1 107 107 GLU N N 108 121.993 121.993 120.586 1.407 18282 6706 1 11 . 1 1 107 107 GLU HA H 108 4.184 4.184 4.515 -0.331 18282 6707 1 11 . 1 1 107 107 GLU C C 108 176.404 176.404 177.858 -1.454 18282 6708 1 11 . 1 1 107 107 GLU CA C 108 56.721 56.721 55.993 0.728 18282 6709 1 11 . 1 1 107 107 GLU CB C 108 29.770 29.770 29.720 0.050 18282 6710 1 11 . 1 1 107 107 GLU H H 108 8.334 8.334 8.561 -0.227 18282 6711 1 11 . 1 1 108 108 ILE N N 109 122.204 122.204 121.452 0.752 18282 6712 1 11 . 1 1 108 108 ILE HA H 109 4.052 4.052 3.979 0.073 18282 6713 1 11 . 1 1 108 108 ILE C C 109 176.261 176.261 175.987 0.274 18282 6714 1 11 . 1 1 108 108 ILE CA C 109 61.245 61.245 63.554 -2.309 18282 6715 1 11 . 1 1 108 108 ILE CB C 109 38.157 38.157 37.456 0.701 18282 6716 1 11 . 1 1 108 108 ILE H H 109 8.068 8.068 8.930 -0.862 18282 6717 1 11 . 1 1 109 109 LEU N N 110 125.608 125.608 119.191 6.417 18282 6718 1 11 . 1 1 109 109 LEU HA H 110 4.295 4.295 4.359 -0.064 18282 6719 1 11 . 1 1 109 109 LEU C C 110 177.275 177.275 175.566 1.709 18282 6720 1 11 . 1 1 109 109 LEU CA C 110 55.103 55.103 54.382 0.721 18282 6721 1 11 . 1 1 109 109 LEU CB C 110 41.929 41.929 41.846 0.083 18282 6722 1 11 . 1 1 109 109 LEU H H 110 8.187 8.187 7.448 0.739 18282 6723 1 11 . 1 1 110 110 LYS N N 111 122.154 122.154 118.703 3.451 18282 6724 1 11 . 1 1 110 110 LYS HA H 111 4.278 4.278 4.532 -0.254 18282 6725 1 11 . 1 1 110 110 LYS C C 111 176.606 176.606 175.328 1.278 18282 6726 1 11 . 1 1 110 110 LYS CA C 111 56.125 56.125 55.512 0.613 18282 6727 1 11 . 1 1 110 110 LYS CB C 111 32.423 32.423 34.636 -2.213 18282 6728 1 11 . 1 1 110 110 LYS H H 111 8.206 8.206 7.785 0.421 18282 6729 1 11 . 1 1 111 111 SER N N 112 116.381 116.381 122.339 -5.958 18282 6730 1 11 . 1 1 111 111 SER HA H 112 4.395 4.395 4.669 -0.274 18282 6731 1 11 . 1 1 111 111 SER C C 112 175.168 175.168 175.681 -0.513 18282 6732 1 11 . 1 1 111 111 SER CA C 112 58.456 58.456 57.957 0.499 18282 6733 1 11 . 1 1 111 111 SER CB C 112 63.495 63.495 64.006 -0.511 18282 6734 1 11 . 1 1 111 111 SER H H 112 8.217 8.217 8.095 0.122 18282 6735 1 11 . 1 1 112 112 ASN N N 113 119.799 119.799 120.279 -0.480 18282 6736 1 11 . 1 1 112 112 ASN HA H 113 4.699 4.699 4.706 -0.007 18282 6737 1 11 . 1 1 112 112 ASN C C 113 175.552 175.552 175.611 -0.059 18282 6738 1 11 . 1 1 112 112 ASN CA C 113 53.592 53.592 54.742 -1.150 18282 6739 1 11 . 1 1 112 112 ASN CB C 113 38.772 38.772 38.783 -0.011 18282 6740 1 11 . 1 1 112 112 ASN H H 113 7.950 7.950 8.649 -0.699 18282 6741 1 11 . 1 1 113 113 SER N N 114 115.430 115.430 113.022 2.408 18282 6742 1 11 . 1 1 113 113 SER HA H 114 4.382 4.382 4.710 -0.328 18282 6743 1 11 . 1 1 113 113 SER C C 114 174.558 174.558 172.965 1.593 18282 6744 1 11 . 1 1 113 113 SER CA C 114 58.919 58.919 57.624 1.295 18282 6745 1 11 . 1 1 113 113 SER CB C 114 63.494 63.494 65.065 -1.571 18282 6746 1 11 . 1 1 113 113 SER H H 114 7.970 7.970 7.658 0.312 18282 6747 1 11 . 1 1 114 114 GLN N N 115 121.973 121.973 122.368 -0.395 18282 6748 1 11 . 1 1 114 114 GLN HA H 115 4.347 4.347 4.460 -0.113 18282 6749 1 11 . 1 1 114 114 GLN C C 115 176.246 176.246 175.713 0.533 18282 6750 1 11 . 1 1 114 114 GLN CA C 115 56.036 56.036 55.633 0.403 18282 6751 1 11 . 1 1 114 114 GLN CB C 115 29.196 29.196 29.850 -0.654 18282 6752 1 11 . 1 1 114 114 GLN H H 115 8.382 8.382 8.654 -0.272 18282 6753 1 11 . 1 1 115 115 THR N N 116 114.701 114.701 115.958 -1.257 18282 6754 1 11 . 1 1 115 115 THR HA H 116 4.238 4.238 4.432 -0.194 18282 6755 1 11 . 1 1 115 115 THR C C 116 174.276 174.276 175.228 -0.952 18282 6756 1 11 . 1 1 115 115 THR CA C 116 62.221 62.221 62.559 -0.338 18282 6757 1 11 . 1 1 115 115 THR CB C 116 69.405 69.405 69.804 -0.399 18282 6758 1 11 . 1 1 115 115 THR H H 116 8.070 8.070 8.705 -0.635 18282 6759 1 11 . 1 1 116 116 ASP N N 117 122.566 122.566 121.679 0.887 18282 6760 1 11 . 1 1 116 116 ASP HA H 117 4.575 4.575 4.575 -0.000 18282 6761 1 11 . 1 1 116 116 ASP C C 117 176.241 176.241 177.825 -1.584 18282 6762 1 11 . 1 1 116 116 ASP CA C 117 54.286 54.286 56.251 -1.964 18282 6763 1 11 . 1 1 116 116 ASP CB C 117 40.609 40.609 40.323 0.286 18282 6764 1 11 . 1 1 116 116 ASP H H 117 8.288 8.288 8.625 -0.337 18282 6765 1 11 . 1 1 117 117 LEU N N 118 122.118 122.118 119.887 2.231 18282 6766 1 11 . 1 1 117 117 LEU HA H 118 4.163 4.163 4.285 -0.122 18282 6767 1 11 . 1 1 117 117 LEU C C 118 177.637 177.637 176.451 1.186 18282 6768 1 11 . 1 1 117 117 LEU CA C 118 55.475 55.475 56.328 -0.853 18282 6769 1 11 . 1 1 117 117 LEU CB C 118 41.964 41.964 42.296 -0.332 18282 6770 1 11 . 1 1 117 117 LEU H H 118 8.088 8.088 8.176 -0.088 18282 6771 1 11 . 1 1 118 118 GLU N N 119 119.527 119.527 118.067 1.460 18282 6772 1 11 . 1 1 118 118 GLU HA H 119 4.086 4.086 3.875 0.211 18282 6773 1 11 . 1 1 118 118 GLU C C 119 176.265 176.265 174.613 1.652 18282 6774 1 11 . 1 1 118 118 GLU CA C 119 56.569 56.569 57.300 -0.731 18282 6775 1 11 . 1 1 118 118 GLU CB C 119 29.486 29.486 29.677 -0.191 18282 6776 1 11 . 1 1 118 118 GLU H H 119 8.134 8.134 8.263 -0.129 18282 6777 1 11 . 1 1 119 119 HIS N N 120 118.076 118.076 121.393 -3.317 18282 6778 1 11 . 1 1 119 119 HIS HA H 120 4.485 4.485 4.691 -0.206 18282 6779 1 11 . 1 1 119 119 HIS CA C 120 55.422 55.422 54.511 0.911 18282 6780 1 11 . 1 1 119 119 HIS CB C 120 28.628 28.628 30.831 -2.203 18282 6781 1 11 . 1 1 119 119 HIS H H 120 8.134 8.134 7.576 0.558 18282 6782 1 11 . 1 1 120 120 HIS N N 121 119.323 119.323 118.192 1.131 18282 6783 1 11 . 1 1 120 120 HIS HA H 121 4.242 4.242 4.767 -0.525 18282 6784 1 11 . 1 1 120 120 HIS CA C 121 56.732 56.732 55.422 1.310 18282 6785 1 11 . 1 1 120 120 HIS H H 121 8.372 8.372 8.545 -0.173 18282 6786 1 11 . 1 1 121 121 HIS N N 122 126.032 126.032 120.455 5.577 18282 6787 1 11 . 1 1 121 121 HIS CA C 122 57.036 57.036 55.338 1.698 18282 6788 1 11 . 1 1 121 121 HIS CB C 122 29.923 29.923 31.629 -1.706 18282 6789 1 11 . 1 1 121 121 HIS H H 122 7.900 7.900 9.078 -1.178 18282 6790 1 11 . 1 1 122 122 HIS N N 123 121.012 121.012 120.859 0.153 18282 6791 1 11 . 1 1 122 122 HIS HA H 123 4.595 4.595 4.431 0.164 18282 6792 1 11 . 1 1 122 122 HIS CA C 123 55.372 55.372 58.177 -2.805 18282 6793 1 11 . 1 1 122 122 HIS CB C 123 29.165 29.165 30.060 -0.895 18282 6794 1 11 . 1 1 122 122 HIS H H 123 8.595 8.595 8.855 -0.260 18282 6795 1 11 . 1 1 123 123 HIS N N 124 120.343 120.343 116.453 3.890 18282 6796 1 11 . 1 1 123 123 HIS CA C 124 57.380 57.380 58.427 -1.047 18282 6797 1 11 . 1 1 123 123 HIS CB C 124 35.491 35.491 29.776 5.715 18282 6798 1 11 . 1 1 123 123 HIS H H 124 8.558 8.558 8.552 0.006 18282 6799 1 12 . 1 1 2 2 GLN N N 3 122.228 122.228 120.659 1.569 18282 6800 1 12 . 1 1 2 2 GLN HA H 3 3.896 3.896 4.090 -0.194 18282 6801 1 12 . 1 1 2 2 GLN C C 3 178.672 178.672 178.146 0.526 18282 6802 1 12 . 1 1 2 2 GLN CA C 3 58.794 58.794 57.999 0.795 18282 6803 1 12 . 1 1 2 2 GLN H H 3 9.310 9.310 8.621 0.689 18282 6804 1 12 . 1 1 3 3 GLU N N 4 119.529 119.529 119.675 -0.146 18282 6805 1 12 . 1 1 3 3 GLU C C 4 175.504 175.504 178.752 -3.248 18282 6806 1 12 . 1 1 3 3 GLU CA C 4 59.561 59.561 58.781 0.780 18282 6807 1 12 . 1 1 3 3 GLU CB C 4 28.876 28.876 28.773 0.103 18282 6808 1 12 . 1 1 3 3 GLU H H 4 8.489 8.489 8.868 -0.379 18282 6809 1 12 . 1 1 4 4 LEU N N 5 114.832 114.832 122.303 -7.471 18282 6810 1 12 . 1 1 4 4 LEU HA H 5 3.716 3.716 3.966 -0.250 18282 6811 1 12 . 1 1 4 4 LEU C C 5 178.276 178.276 178.071 0.205 18282 6812 1 12 . 1 1 4 4 LEU CA C 5 57.813 57.813 57.950 -0.137 18282 6813 1 12 . 1 1 4 4 LEU CB C 5 40.844 40.844 41.725 -0.881 18282 6814 1 12 . 1 1 4 4 LEU H H 5 8.210 8.210 7.712 0.498 18282 6815 1 12 . 1 1 5 5 SER N N 6 109.726 109.726 114.028 -4.302 18282 6816 1 12 . 1 1 5 5 SER HA H 6 4.127 4.127 4.082 0.045 18282 6817 1 12 . 1 1 5 5 SER C C 6 178.508 178.508 177.146 1.362 18282 6818 1 12 . 1 1 5 5 SER CA C 6 60.401 60.401 61.824 -1.423 18282 6819 1 12 . 1 1 5 5 SER CB C 6 63.535 63.535 62.562 0.973 18282 6820 1 12 . 1 1 5 5 SER H H 6 8.247 8.247 8.140 0.107 18282 6821 1 12 . 1 1 6 6 GLN N N 7 117.203 117.203 120.631 -3.428 18282 6822 1 12 . 1 1 6 6 GLN HA H 7 4.026 4.026 4.141 -0.115 18282 6823 1 12 . 1 1 6 6 GLN CA C 7 58.474 58.474 58.301 0.173 18282 6824 1 12 . 1 1 6 6 GLN H H 7 8.719 8.719 8.771 -0.052 18282 6825 1 12 . 1 1 7 7 HIS C C 8 178.622 178.622 177.661 0.961 18282 6826 1 12 . 1 1 8 8 GLU N N 9 120.357 120.357 118.757 1.600 18282 6827 1 12 . 1 1 8 8 GLU HA H 9 3.969 3.969 3.939 0.030 18282 6828 1 12 . 1 1 8 8 GLU C C 9 178.408 178.408 179.193 -0.785 18282 6829 1 12 . 1 1 8 8 GLU CA C 9 58.244 58.244 59.656 -1.412 18282 6830 1 12 . 1 1 8 8 GLU CB C 9 29.013 29.013 29.442 -0.429 18282 6831 1 12 . 1 1 8 8 GLU H H 9 7.701 7.701 7.912 -0.211 18282 6832 1 12 . 1 1 9 9 ARG N N 10 118.791 118.791 118.945 -0.154 18282 6833 1 12 . 1 1 9 9 ARG HA H 10 4.124 4.124 3.979 0.145 18282 6834 1 12 . 1 1 9 9 ARG C C 10 178.599 178.599 178.546 0.053 18282 6835 1 12 . 1 1 9 9 ARG CA C 10 58.633 58.633 59.293 -0.660 18282 6836 1 12 . 1 1 9 9 ARG CB C 10 29.005 29.005 30.237 -1.232 18282 6837 1 12 . 1 1 9 9 ARG H H 10 8.910 8.910 7.539 1.371 18282 6838 1 12 . 1 1 10 10 TYR N N 11 121.239 121.239 121.674 -0.435 18282 6839 1 12 . 1 1 10 10 TYR HA H 11 4.186 4.186 4.082 0.104 18282 6840 1 12 . 1 1 10 10 TYR C C 11 176.644 176.644 177.651 -1.007 18282 6841 1 12 . 1 1 10 10 TYR CA C 11 61.311 61.311 60.910 0.401 18282 6842 1 12 . 1 1 10 10 TYR CB C 11 37.956 37.956 37.755 0.201 18282 6843 1 12 . 1 1 10 10 TYR H H 11 7.562 7.562 8.439 -0.877 18282 6844 1 12 . 1 1 11 11 VAL N N 12 119.249 119.249 118.981 0.268 18282 6845 1 12 . 1 1 11 11 VAL HA H 12 3.119 3.119 2.812 0.307 18282 6846 1 12 . 1 1 11 11 VAL C C 12 177.275 177.275 177.656 -0.381 18282 6847 1 12 . 1 1 11 11 VAL CA C 12 66.925 66.925 65.993 0.932 18282 6848 1 12 . 1 1 11 11 VAL CB C 12 30.981 30.981 31.374 -0.393 18282 6849 1 12 . 1 1 11 11 VAL H H 12 8.087 8.087 7.205 0.882 18282 6850 1 12 . 1 1 12 12 GLU N N 13 119.569 119.569 118.901 0.668 18282 6851 1 12 . 1 1 12 12 GLU HA H 13 4.213 4.213 3.791 0.422 18282 6852 1 12 . 1 1 12 12 GLU C C 13 175.207 175.207 178.504 -3.297 18282 6853 1 12 . 1 1 12 12 GLU CA C 13 55.971 55.971 59.269 -3.298 18282 6854 1 12 . 1 1 12 12 GLU CB C 13 28.439 28.439 29.684 -1.246 18282 6855 1 12 . 1 1 12 12 GLU H H 13 8.312 8.312 7.441 0.871 18282 6856 1 12 . 1 1 13 13 GLN N N 14 119.375 119.375 119.645 -0.270 18282 6857 1 12 . 1 1 13 13 GLN HA H 14 3.657 3.657 3.972 -0.315 18282 6858 1 12 . 1 1 13 13 GLN CA C 14 54.294 54.294 58.645 -4.351 18282 6859 1 12 . 1 1 13 13 GLN CB C 14 29.681 29.681 28.179 1.502 18282 6860 1 12 . 1 1 13 13 GLN H H 14 7.690 7.690 8.579 -0.889 18282 6861 1 12 . 1 1 14 14 LEU HA H 15 3.865 3.865 3.970 -0.105 18282 6862 1 12 . 1 1 14 14 LEU CA C 15 58.177 58.177 57.539 0.638 18282 6863 1 12 . 1 1 14 14 LEU CB C 15 40.693 40.693 41.289 -0.596 18282 6864 1 12 . 1 1 15 15 LYS HA H 16 3.737 3.737 3.812 -0.075 18282 6865 1 12 . 1 1 15 15 LYS C C 16 177.817 177.817 179.474 -1.657 18282 6866 1 12 . 1 1 15 15 LYS CA C 16 60.352 60.352 59.336 1.016 18282 6867 1 12 . 1 1 15 15 LYS CB C 16 32.106 32.106 31.953 0.153 18282 6868 1 12 . 1 1 16 16 GLN N N 17 117.498 117.498 117.804 -0.306 18282 6869 1 12 . 1 1 16 16 GLN HA H 17 3.864 3.864 4.063 -0.199 18282 6870 1 12 . 1 1 16 16 GLN CA C 17 58.307 58.307 58.027 0.280 18282 6871 1 12 . 1 1 16 16 GLN CB C 17 27.788 27.788 28.282 -0.494 18282 6872 1 12 . 1 1 16 16 GLN H H 17 7.862 7.862 8.037 -0.175 18282 6873 1 12 . 1 1 17 17 ALA HA H 18 3.793 3.793 3.968 -0.175 18282 6874 1 12 . 1 1 17 17 ALA C C 18 179.147 179.147 178.606 0.541 18282 6875 1 12 . 1 1 17 17 ALA CA C 18 54.792 54.792 54.825 -0.033 18282 6876 1 12 . 1 1 17 17 ALA CB C 18 17.693 17.693 18.274 -0.581 18282 6877 1 12 . 1 1 18 18 LEU N N 19 117.278 117.278 116.684 0.594 18282 6878 1 12 . 1 1 18 18 LEU HA H 19 3.784 3.784 3.902 -0.118 18282 6879 1 12 . 1 1 18 18 LEU C C 19 174.935 174.935 178.609 -3.674 18282 6880 1 12 . 1 1 18 18 LEU CA C 19 57.731 57.731 56.742 0.989 18282 6881 1 12 . 1 1 18 18 LEU CB C 19 40.703 40.703 41.630 -0.927 18282 6882 1 12 . 1 1 18 18 LEU H H 19 8.168 8.168 7.440 0.728 18282 6883 1 12 . 1 1 19 19 LYS N N 20 118.025 118.025 120.510 -2.485 18282 6884 1 12 . 1 1 19 19 LYS C C 20 177.982 177.982 179.220 -1.238 18282 6885 1 12 . 1 1 19 19 LYS CA C 20 60.439 60.439 59.296 1.143 18282 6886 1 12 . 1 1 19 19 LYS H H 20 8.345 8.345 7.579 0.766 18282 6887 1 12 . 1 1 20 20 THR N N 21 116.345 116.345 111.338 5.007 18282 6888 1 12 . 1 1 20 20 THR HA H 21 4.126 4.126 4.134 -0.008 18282 6889 1 12 . 1 1 20 20 THR C C 21 175.469 175.469 175.845 -0.376 18282 6890 1 12 . 1 1 20 20 THR CA C 21 64.643 64.643 64.012 0.631 18282 6891 1 12 . 1 1 20 20 THR CB C 21 68.652 68.652 68.794 -0.142 18282 6892 1 12 . 1 1 20 20 THR H H 21 7.896 7.896 7.596 0.300 18282 6893 1 12 . 1 1 21 21 ARG N N 22 118.792 118.792 120.194 -1.402 18282 6894 1 12 . 1 1 21 21 ARG HA H 22 4.375 4.375 4.297 0.078 18282 6895 1 12 . 1 1 21 21 ARG C C 22 176.364 176.364 176.643 -0.279 18282 6896 1 12 . 1 1 21 21 ARG CA C 22 54.157 54.157 54.715 -0.558 18282 6897 1 12 . 1 1 21 21 ARG CB C 22 29.453 29.453 28.973 0.480 18282 6898 1 12 . 1 1 21 21 ARG H H 22 7.317 7.317 7.766 -0.449 18282 6899 1 12 . 1 1 22 22 GLY N N 23 108.428 108.428 106.367 2.061 18282 6900 1 12 . 1 1 22 22 GLY C C 23 174.154 174.154 174.117 0.037 18282 6901 1 12 . 1 1 22 22 GLY CA C 23 45.953 45.953 45.386 0.567 18282 6902 1 12 . 1 1 22 22 GLY H H 23 7.881 7.881 7.698 0.183 18282 6903 1 12 . 1 1 23 23 VAL N N 24 117.319 117.319 118.668 -1.349 18282 6904 1 12 . 1 1 23 23 VAL HA H 24 4.036 4.036 4.321 -0.285 18282 6905 1 12 . 1 1 23 23 VAL C C 24 175.601 175.601 175.106 0.495 18282 6906 1 12 . 1 1 23 23 VAL CA C 24 61.635 61.635 60.189 1.446 18282 6907 1 12 . 1 1 23 23 VAL CB C 24 32.589 32.589 34.011 -1.423 18282 6908 1 12 . 1 1 23 23 VAL H H 24 7.431 7.431 7.254 0.177 18282 6909 1 12 . 1 1 24 24 LYS N N 25 127.424 127.424 123.213 4.211 18282 6910 1 12 . 1 1 24 24 LYS HA H 25 4.336 4.336 4.710 -0.374 18282 6911 1 12 . 1 1 24 24 LYS C C 25 175.550 175.550 175.028 0.522 18282 6912 1 12 . 1 1 24 24 LYS CA C 25 55.811 55.811 54.788 1.023 18282 6913 1 12 . 1 1 24 24 LYS CB C 25 32.269 32.269 33.781 -1.512 18282 6914 1 12 . 1 1 24 24 LYS H H 25 8.665 8.665 8.357 0.308 18282 6915 1 12 . 1 1 25 25 VAL N N 26 120.764 120.764 119.568 1.196 18282 6916 1 12 . 1 1 25 25 VAL HA H 26 4.140 4.140 4.663 -0.523 18282 6917 1 12 . 1 1 25 25 VAL C C 26 174.206 174.206 174.809 -0.603 18282 6918 1 12 . 1 1 25 25 VAL CA C 26 60.316 60.316 61.227 -0.911 18282 6919 1 12 . 1 1 25 25 VAL CB C 26 33.920 33.920 33.144 0.776 18282 6920 1 12 . 1 1 25 25 VAL H H 26 7.545 7.545 8.238 -0.693 18282 6921 1 12 . 1 1 26 26 LYS N N 27 125.707 125.707 124.420 1.287 18282 6922 1 12 . 1 1 26 26 LYS HA H 27 4.115 4.115 4.612 -0.497 18282 6923 1 12 . 1 1 26 26 LYS CA C 27 55.211 55.211 54.212 0.999 18282 6924 1 12 . 1 1 26 26 LYS CB C 27 31.930 31.930 33.748 -1.818 18282 6925 1 12 . 1 1 26 26 LYS H H 27 8.608 8.608 8.953 -0.345 18282 6926 1 12 . 1 1 27 27 TYR CA C 28 56.418 56.418 62.579 -6.161 18282 6927 1 12 . 1 1 27 27 TYR CB C 28 37.036 37.036 36.990 0.046 18282 6928 1 12 . 1 1 28 28 ALA N N 29 120.712 120.712 120.739 -0.027 18282 6929 1 12 . 1 1 28 28 ALA HA H 29 3.712 3.712 4.011 -0.299 18282 6930 1 12 . 1 1 28 28 ALA C C 29 180.210 180.210 179.542 0.668 18282 6931 1 12 . 1 1 28 28 ALA CA C 29 54.911 54.911 54.633 0.278 18282 6932 1 12 . 1 1 28 28 ALA CB C 29 18.034 18.034 17.478 0.556 18282 6933 1 12 . 1 1 28 28 ALA H H 29 8.326 8.326 8.361 -0.035 18282 6934 1 12 . 1 1 29 29 ASP N N 30 117.166 117.166 119.706 -2.540 18282 6935 1 12 . 1 1 29 29 ASP HA H 30 4.379 4.379 4.307 0.072 18282 6936 1 12 . 1 1 29 29 ASP C C 30 178.427 178.427 178.488 -0.061 18282 6937 1 12 . 1 1 29 29 ASP CA C 30 56.459 56.459 58.344 -1.885 18282 6938 1 12 . 1 1 29 29 ASP CB C 30 39.962 39.962 40.513 -0.551 18282 6939 1 12 . 1 1 29 29 ASP H H 30 6.913 6.913 8.744 -1.831 18282 6940 1 12 . 1 1 30 30 LEU N N 31 123.105 123.105 119.988 3.117 18282 6941 1 12 . 1 1 30 30 LEU HA H 31 3.491 3.491 4.210 -0.719 18282 6942 1 12 . 1 1 30 30 LEU CA C 31 56.841 56.841 58.203 -1.362 18282 6943 1 12 . 1 1 30 30 LEU CB C 31 40.888 40.888 41.960 -1.072 18282 6944 1 12 . 1 1 30 30 LEU H H 31 7.543 7.543 7.566 -0.023 18282 6945 1 12 . 1 1 31 31 LEU HA H 32 3.611 3.611 3.934 -0.323 18282 6946 1 12 . 1 1 31 31 LEU C C 32 179.120 179.120 179.296 -0.176 18282 6947 1 12 . 1 1 31 31 LEU CA C 32 58.103 58.103 58.147 -0.044 18282 6948 1 12 . 1 1 31 31 LEU CB C 32 40.594 40.594 41.137 -0.543 18282 6949 1 12 . 1 1 32 32 LYS N N 33 118.074 118.074 118.762 -0.688 18282 6950 1 12 . 1 1 32 32 LYS HA H 33 4.202 4.202 4.015 0.187 18282 6951 1 12 . 1 1 32 32 LYS C C 33 180.044 180.044 178.527 1.517 18282 6952 1 12 . 1 1 32 32 LYS CA C 33 59.081 59.081 59.023 0.058 18282 6953 1 12 . 1 1 32 32 LYS CB C 33 31.735 31.735 32.480 -0.745 18282 6954 1 12 . 1 1 32 32 LYS H H 33 7.189 7.189 7.859 -0.670 18282 6955 1 12 . 1 1 33 33 PHE N N 34 122.977 122.977 120.695 2.282 18282 6956 1 12 . 1 1 33 33 PHE CA C 34 60.402 60.402 61.712 -1.310 18282 6957 1 12 . 1 1 33 33 PHE H H 34 7.768 7.768 8.682 -0.914 18282 6958 1 12 . 1 1 34 34 PHE HA H 35 3.800 3.800 4.051 -0.251 18282 6959 1 12 . 1 1 34 34 PHE C C 35 176.355 176.355 177.257 -0.902 18282 6960 1 12 . 1 1 34 34 PHE CA C 35 61.813 61.813 62.191 -0.378 18282 6961 1 12 . 1 1 34 34 PHE CB C 35 37.164 37.164 39.069 -1.905 18282 6962 1 12 . 1 1 35 35 ASP N N 36 119.969 119.969 120.002 -0.033 18282 6963 1 12 . 1 1 35 35 ASP C C 36 177.087 177.087 178.935 -1.848 18282 6964 1 12 . 1 1 35 35 ASP CA C 36 58.278 58.278 57.319 0.959 18282 6965 1 12 . 1 1 35 35 ASP CB C 36 39.578 39.578 40.424 -0.846 18282 6966 1 12 . 1 1 35 35 ASP H H 36 8.338 8.338 7.900 0.438 18282 6967 1 12 . 1 1 36 36 PHE N N 37 122.901 122.901 119.763 3.138 18282 6968 1 12 . 1 1 36 36 PHE C C 37 178.788 178.788 178.150 0.638 18282 6969 1 12 . 1 1 36 36 PHE CA C 37 61.416 61.416 60.270 1.146 18282 6970 1 12 . 1 1 36 36 PHE CB C 37 38.369 38.369 38.650 -0.281 18282 6971 1 12 . 1 1 36 36 PHE H H 37 7.860 7.860 8.596 -0.736 18282 6972 1 12 . 1 1 37 37 VAL N N 38 122.329 122.329 114.874 7.455 18282 6973 1 12 . 1 1 37 37 VAL HA H 38 3.100 3.100 3.636 -0.536 18282 6974 1 12 . 1 1 37 37 VAL C C 38 176.147 176.147 177.765 -1.618 18282 6975 1 12 . 1 1 37 37 VAL CA C 38 67.153 67.153 65.530 1.623 18282 6976 1 12 . 1 1 37 37 VAL CB C 38 30.625 30.625 31.553 -0.928 18282 6977 1 12 . 1 1 37 37 VAL H H 38 8.451 8.451 8.250 0.201 18282 6978 1 12 . 1 1 38 38 LYS N N 39 118.837 118.837 119.779 -0.942 18282 6979 1 12 . 1 1 38 38 LYS HA H 39 3.473 3.473 3.841 -0.368 18282 6980 1 12 . 1 1 38 38 LYS C C 39 176.361 176.361 178.271 -1.910 18282 6981 1 12 . 1 1 38 38 LYS CA C 39 59.519 59.519 59.539 -0.020 18282 6982 1 12 . 1 1 38 38 LYS CB C 39 31.628 31.628 31.990 -0.362 18282 6983 1 12 . 1 1 38 38 LYS H H 39 7.581 7.581 7.759 -0.178 18282 6984 1 12 . 1 1 39 39 ASP N N 40 116.210 116.210 117.781 -1.571 18282 6985 1 12 . 1 1 39 39 ASP HA H 40 4.261 4.261 4.436 -0.175 18282 6986 1 12 . 1 1 39 39 ASP CA C 40 56.580 56.580 56.684 -0.104 18282 6987 1 12 . 1 1 39 39 ASP CB C 40 40.977 40.977 40.871 0.106 18282 6988 1 12 . 1 1 39 39 ASP H H 40 8.052 8.052 8.116 -0.064 18282 6989 1 12 . 1 1 40 40 THR N N 41 109.215 109.215 106.045 3.170 18282 6990 1 12 . 1 1 40 40 THR C C 41 174.559 174.559 175.151 -0.592 18282 6991 1 12 . 1 1 40 40 THR H H 41 7.232 7.232 7.530 -0.298 18282 6992 1 12 . 1 1 41 41 CYS N N 42 117.927 117.927 120.467 -2.540 18282 6993 1 12 . 1 1 41 41 CYS CA C 42 55.865 55.865 58.554 -2.689 18282 6994 1 12 . 1 1 41 41 CYS CB C 42 28.500 28.500 26.030 2.470 18282 6995 1 12 . 1 1 41 41 CYS H H 42 7.197 7.197 8.373 -1.176 18282 6996 1 12 . 1 1 42 42 PRO HA H 43 3.987 3.987 4.196 -0.208 18282 6997 1 12 . 1 1 42 42 PRO C C 43 176.688 176.688 176.555 0.133 18282 6998 1 12 . 1 1 42 42 PRO CA C 43 65.206 65.206 64.376 0.830 18282 6999 1 12 . 1 1 42 42 PRO CB C 43 30.767 30.767 31.724 -0.957 18282 7000 1 12 . 1 1 43 43 TRP N N 44 113.805 113.805 117.278 -3.473 18282 7001 1 12 . 1 1 43 43 TRP HA H 44 4.361 4.361 4.528 -0.167 18282 7002 1 12 . 1 1 43 43 TRP C C 44 176.982 176.982 175.211 1.771 18282 7003 1 12 . 1 1 43 43 TRP CA C 44 61.758 61.758 57.439 4.319 18282 7004 1 12 . 1 1 43 43 TRP CB C 44 27.771 27.771 28.418 -0.647 18282 7005 1 12 . 1 1 43 43 TRP H H 44 6.632 6.632 7.792 -1.160 18282 7006 1 12 . 1 1 44 44 PHE N N 45 123.019 123.019 114.423 8.596 18282 7007 1 12 . 1 1 44 44 PHE HA H 45 4.043 4.043 4.181 -0.138 18282 7008 1 12 . 1 1 44 44 PHE CA C 45 62.990 62.990 57.432 5.558 18282 7009 1 12 . 1 1 44 44 PHE CB C 45 35.109 35.109 36.191 -1.083 18282 7010 1 12 . 1 1 44 44 PHE H H 45 7.302 7.302 7.027 0.275 18282 7011 1 12 . 1 1 45 45 PRO HA H 46 4.015 4.015 4.204 -0.189 18282 7012 1 12 . 1 1 45 45 PRO C C 46 176.462 176.462 177.048 -0.586 18282 7013 1 12 . 1 1 45 45 PRO CA C 46 64.582 64.582 64.394 0.188 18282 7014 1 12 . 1 1 45 45 PRO CB C 46 30.254 30.254 31.523 -1.270 18282 7015 1 12 . 1 1 46 46 GLN N N 47 114.404 114.404 118.424 -4.020 18282 7016 1 12 . 1 1 46 46 GLN HA H 47 3.941 3.941 4.063 -0.122 18282 7017 1 12 . 1 1 46 46 GLN C C 47 177.234 177.234 177.125 0.109 18282 7018 1 12 . 1 1 46 46 GLN CA C 47 58.328 58.328 58.370 -0.042 18282 7019 1 12 . 1 1 46 46 GLN CB C 47 28.471 28.471 28.265 0.206 18282 7020 1 12 . 1 1 46 46 GLN H H 47 6.544 6.544 8.247 -1.703 18282 7021 1 12 . 1 1 47 47 GLU N N 48 117.356 117.356 116.607 0.749 18282 7022 1 12 . 1 1 47 47 GLU HA H 48 4.085 4.085 4.341 -0.256 18282 7023 1 12 . 1 1 47 47 GLU C C 48 179.130 179.130 176.918 2.212 18282 7024 1 12 . 1 1 47 47 GLU CA C 48 58.215 58.215 56.610 1.605 18282 7025 1 12 . 1 1 47 47 GLU CB C 48 29.247 29.247 31.076 -1.829 18282 7026 1 12 . 1 1 47 47 GLU H H 48 7.710 7.710 7.747 -0.037 18282 7027 1 12 . 1 1 48 48 GLY N N 49 105.456 105.456 108.424 -2.968 18282 7028 1 12 . 1 1 48 48 GLY C C 49 171.006 171.006 174.018 -3.012 18282 7029 1 12 . 1 1 48 48 GLY CA C 49 47.085 47.085 45.376 1.709 18282 7030 1 12 . 1 1 48 48 GLY H H 49 7.296 7.296 7.679 -0.383 18282 7031 1 12 . 1 1 49 49 THR N N 50 114.015 114.015 114.958 -0.943 18282 7032 1 12 . 1 1 49 49 THR HA H 50 4.248 4.248 4.624 -0.376 18282 7033 1 12 . 1 1 49 49 THR CA C 50 61.830 61.830 59.834 1.996 18282 7034 1 12 . 1 1 49 49 THR CB C 50 70.692 70.692 71.394 -0.702 18282 7035 1 12 . 1 1 49 49 THR H H 50 7.599 7.599 7.625 -0.026 18282 7036 1 12 . 1 1 50 50 ILE HA H 51 4.135 4.135 4.364 -0.229 18282 7037 1 12 . 1 1 50 50 ILE C C 51 172.608 172.608 174.826 -2.218 18282 7038 1 12 . 1 1 50 50 ILE CA C 51 59.075 59.075 60.815 -1.740 18282 7039 1 12 . 1 1 50 50 ILE CB C 51 35.416 35.416 39.282 -3.866 18282 7040 1 12 . 1 1 51 51 ASP N N 52 121.859 121.859 126.936 -5.077 18282 7041 1 12 . 1 1 51 51 ASP HA H 52 4.625 4.625 5.021 -0.396 18282 7042 1 12 . 1 1 51 51 ASP C C 52 175.770 175.770 175.860 -0.090 18282 7043 1 12 . 1 1 51 51 ASP CA C 52 51.634 51.634 53.169 -1.535 18282 7044 1 12 . 1 1 51 51 ASP CB C 52 42.528 42.528 42.563 -0.035 18282 7045 1 12 . 1 1 51 51 ASP H H 52 7.176 7.176 9.362 -2.186 18282 7046 1 12 . 1 1 52 52 ILE N N 53 119.549 119.549 122.684 -3.135 18282 7047 1 12 . 1 1 52 52 ILE HA H 53 4.150 4.150 4.216 -0.066 18282 7048 1 12 . 1 1 52 52 ILE C C 53 176.961 176.961 177.458 -0.497 18282 7049 1 12 . 1 1 52 52 ILE CA C 53 61.899 61.899 62.923 -1.024 18282 7050 1 12 . 1 1 52 52 ILE CB C 53 37.700 37.700 38.305 -0.605 18282 7051 1 12 . 1 1 52 52 ILE H H 53 8.777 8.777 8.759 0.018 18282 7052 1 12 . 1 1 53 53 LYS N N 54 123.515 123.515 120.485 3.030 18282 7053 1 12 . 1 1 53 53 LYS HA H 54 4.116 4.116 4.143 -0.027 18282 7054 1 12 . 1 1 53 53 LYS C C 54 180.448 180.448 178.687 1.761 18282 7055 1 12 . 1 1 53 53 LYS CA C 54 59.934 59.934 60.208 -0.274 18282 7056 1 12 . 1 1 53 53 LYS CB C 54 31.875 31.875 31.735 0.140 18282 7057 1 12 . 1 1 53 53 LYS H H 54 8.106 8.106 8.455 -0.349 18282 7058 1 12 . 1 1 54 54 ARG N N 55 120.371 120.371 119.249 1.122 18282 7059 1 12 . 1 1 54 54 ARG HA H 55 4.422 4.422 4.026 0.396 18282 7060 1 12 . 1 1 54 54 ARG C C 55 179.159 179.159 177.771 1.388 18282 7061 1 12 . 1 1 54 54 ARG CA C 55 59.726 59.726 58.477 1.249 18282 7062 1 12 . 1 1 54 54 ARG CB C 55 37.368 37.368 29.178 8.190 18282 7063 1 12 . 1 1 54 54 ARG H H 55 9.183 9.183 8.541 0.642 18282 7064 1 12 . 1 1 55 55 TRP N N 56 120.755 120.755 120.876 -0.121 18282 7065 1 12 . 1 1 55 55 TRP HA H 56 4.747 4.747 3.876 0.871 18282 7066 1 12 . 1 1 55 55 TRP C C 56 179.954 179.954 177.302 2.652 18282 7067 1 12 . 1 1 55 55 TRP CA C 56 60.105 60.105 59.554 0.551 18282 7068 1 12 . 1 1 55 55 TRP CB C 56 29.997 29.997 29.196 0.801 18282 7069 1 12 . 1 1 55 55 TRP H H 56 8.927 8.927 7.422 1.505 18282 7070 1 12 . 1 1 56 56 ARG N N 57 122.194 122.194 119.407 2.787 18282 7071 1 12 . 1 1 56 56 ARG HA H 57 4.406 4.406 3.592 0.814 18282 7072 1 12 . 1 1 56 56 ARG C C 57 178.101 178.101 178.425 -0.324 18282 7073 1 12 . 1 1 56 56 ARG CA C 57 60.198 60.198 59.337 0.862 18282 7074 1 12 . 1 1 56 56 ARG CB C 57 29.585 29.585 29.892 -0.307 18282 7075 1 12 . 1 1 56 56 ARG H H 57 9.220 9.220 7.346 1.874 18282 7076 1 12 . 1 1 57 57 ARG N N 58 120.674 120.674 119.102 1.572 18282 7077 1 12 . 1 1 57 57 ARG HA H 58 4.186 4.186 3.904 0.282 18282 7078 1 12 . 1 1 57 57 ARG C C 58 179.445 179.445 178.672 0.773 18282 7079 1 12 . 1 1 57 57 ARG CA C 58 59.832 59.832 59.500 0.332 18282 7080 1 12 . 1 1 57 57 ARG CB C 58 29.753 29.753 29.984 -0.231 18282 7081 1 12 . 1 1 57 57 ARG H H 58 7.605 7.605 7.438 0.167 18282 7082 1 12 . 1 1 58 58 VAL N N 59 121.833 121.833 119.316 2.517 18282 7083 1 12 . 1 1 58 58 VAL HA H 59 3.675 3.675 3.772 -0.097 18282 7084 1 12 . 1 1 58 58 VAL C C 59 176.565 176.565 177.188 -0.623 18282 7085 1 12 . 1 1 58 58 VAL CA C 59 65.920 65.920 65.372 0.548 18282 7086 1 12 . 1 1 58 58 VAL CB C 59 30.785 30.785 31.220 -0.435 18282 7087 1 12 . 1 1 58 58 VAL H H 59 7.819 7.819 7.709 0.110 18282 7088 1 12 . 1 1 59 59 GLY N N 60 106.521 106.521 106.939 -0.418 18282 7089 1 12 . 1 1 59 59 GLY C C 60 175.923 175.923 175.748 0.175 18282 7090 1 12 . 1 1 59 59 GLY CA C 60 45.982 45.982 47.046 -1.064 18282 7091 1 12 . 1 1 59 59 GLY H H 60 7.540 7.540 8.013 -0.473 18282 7092 1 12 . 1 1 60 60 ASP N N 61 123.066 123.066 123.531 -0.465 18282 7093 1 12 . 1 1 60 60 ASP HA H 61 4.261 4.261 4.504 -0.243 18282 7094 1 12 . 1 1 60 60 ASP C C 61 178.537 178.537 178.450 0.087 18282 7095 1 12 . 1 1 60 60 ASP CA C 61 56.907 56.907 56.713 0.194 18282 7096 1 12 . 1 1 60 60 ASP CB C 61 39.654 39.654 40.300 -0.646 18282 7097 1 12 . 1 1 60 60 ASP H H 61 8.197 8.197 8.229 -0.032 18282 7098 1 12 . 1 1 61 61 CYS N N 62 121.005 121.005 119.351 1.654 18282 7099 1 12 . 1 1 61 61 CYS C C 62 177.083 177.083 176.633 0.450 18282 7100 1 12 . 1 1 61 61 CYS CA C 62 62.380 62.380 64.373 -1.993 18282 7101 1 12 . 1 1 61 61 CYS CB C 62 26.011 26.011 27.190 -1.179 18282 7102 1 12 . 1 1 61 61 CYS H H 62 7.858 7.858 7.634 0.224 18282 7103 1 12 . 1 1 62 62 PHE N N 63 119.362 119.362 118.612 0.750 18282 7104 1 12 . 1 1 62 62 PHE HA H 63 4.117 4.117 4.199 -0.082 18282 7105 1 12 . 1 1 62 62 PHE C C 63 178.081 178.081 178.024 0.057 18282 7106 1 12 . 1 1 62 62 PHE CA C 63 57.843 57.843 62.284 -4.441 18282 7107 1 12 . 1 1 62 62 PHE CB C 63 36.605 36.605 38.667 -2.062 18282 7108 1 12 . 1 1 62 62 PHE H H 63 8.530 8.530 7.889 0.641 18282 7109 1 12 . 1 1 63 63 GLN N N 64 118.829 118.829 119.972 -1.143 18282 7110 1 12 . 1 1 63 63 GLN HA H 64 4.199 4.199 4.049 0.150 18282 7111 1 12 . 1 1 63 63 GLN C C 64 177.645 177.645 178.145 -0.500 18282 7112 1 12 . 1 1 63 63 GLN CA C 64 59.094 59.094 59.493 -0.399 18282 7113 1 12 . 1 1 63 63 GLN CB C 64 28.337 28.337 28.446 -0.109 18282 7114 1 12 . 1 1 63 63 GLN H H 64 8.236 8.236 8.344 -0.108 18282 7115 1 12 . 1 1 64 64 ASP N N 65 120.234 120.234 120.359 -0.125 18282 7116 1 12 . 1 1 64 64 ASP HA H 65 4.481 4.481 4.365 0.116 18282 7117 1 12 . 1 1 64 64 ASP CA C 65 57.301 57.301 57.027 0.274 18282 7118 1 12 . 1 1 64 64 ASP CB C 65 40.773 40.773 40.551 0.222 18282 7119 1 12 . 1 1 64 64 ASP H H 65 8.257 8.257 7.948 0.309 18282 7120 1 12 . 1 1 65 65 TYR HA H 66 4.598 4.598 4.341 0.257 18282 7121 1 12 . 1 1 65 65 TYR C C 66 178.524 178.524 178.586 -0.062 18282 7122 1 12 . 1 1 65 65 TYR CA C 66 60.355 60.355 61.515 -1.160 18282 7123 1 12 . 1 1 65 65 TYR CB C 66 37.796 37.796 38.615 -0.819 18282 7124 1 12 . 1 1 66 66 TYR N N 67 122.741 122.741 120.475 2.266 18282 7125 1 12 . 1 1 66 66 TYR HA H 67 4.044 4.044 4.106 -0.062 18282 7126 1 12 . 1 1 66 66 TYR C C 67 178.220 178.220 177.555 0.665 18282 7127 1 12 . 1 1 66 66 TYR CA C 67 61.726 61.726 61.651 0.075 18282 7128 1 12 . 1 1 66 66 TYR CB C 67 38.932 38.932 38.489 0.443 18282 7129 1 12 . 1 1 66 66 TYR H H 67 9.083 9.083 8.880 0.203 18282 7130 1 12 . 1 1 67 67 ASN N N 68 118.530 118.530 116.521 2.009 18282 7131 1 12 . 1 1 67 67 ASN HA H 68 4.378 4.378 4.335 0.043 18282 7132 1 12 . 1 1 67 67 ASN C C 68 176.633 176.633 177.274 -0.641 18282 7133 1 12 . 1 1 67 67 ASN CA C 68 55.293 55.293 56.064 -0.771 18282 7134 1 12 . 1 1 67 67 ASN CB C 68 37.860 37.860 38.693 -0.833 18282 7135 1 12 . 1 1 67 67 ASN H H 68 8.796 8.796 8.227 0.569 18282 7136 1 12 . 1 1 68 68 THR N N 69 114.328 114.328 112.343 1.985 18282 7137 1 12 . 1 1 68 68 THR HA H 69 3.872 3.872 4.041 -0.169 18282 7138 1 12 . 1 1 68 68 THR C C 69 174.832 174.832 176.112 -1.280 18282 7139 1 12 . 1 1 68 68 THR CA C 69 65.224 65.224 64.950 0.274 18282 7140 1 12 . 1 1 68 68 THR CB C 69 69.484 69.484 68.701 0.783 18282 7141 1 12 . 1 1 68 68 THR H H 69 7.960 7.960 7.594 0.366 18282 7142 1 12 . 1 1 69 69 PHE N N 70 118.107 118.107 121.556 -3.449 18282 7143 1 12 . 1 1 69 69 PHE HA H 70 4.626 4.626 4.348 0.278 18282 7144 1 12 . 1 1 69 69 PHE C C 70 176.495 176.495 176.440 0.055 18282 7145 1 12 . 1 1 69 69 PHE CA C 70 58.409 58.409 59.799 -1.390 18282 7146 1 12 . 1 1 69 69 PHE CB C 70 40.742 40.742 39.865 0.876 18282 7147 1 12 . 1 1 69 69 PHE H H 70 8.591 8.591 7.792 0.799 18282 7148 1 12 . 1 1 70 70 GLY N N 71 109.309 109.309 106.942 2.367 18282 7149 1 12 . 1 1 70 70 GLY CA C 71 44.684 44.684 44.062 0.622 18282 7150 1 12 . 1 1 70 70 GLY H H 71 7.893 7.893 7.563 0.330 18282 7151 1 12 . 1 1 71 71 PRO HA H 72 4.691 4.691 4.354 0.337 18282 7152 1 12 . 1 1 71 71 PRO C C 72 177.772 177.772 176.770 1.002 18282 7153 1 12 . 1 1 71 71 PRO CA C 72 63.458 63.458 62.567 0.891 18282 7154 1 12 . 1 1 71 71 PRO CB C 72 31.823 31.823 32.139 -0.316 18282 7155 1 12 . 1 1 72 72 GLU N N 73 117.421 117.421 124.842 -7.421 18282 7156 1 12 . 1 1 72 72 GLU HA H 73 4.061 4.061 4.156 -0.095 18282 7157 1 12 . 1 1 72 72 GLU C C 73 177.236 177.236 177.223 0.013 18282 7158 1 12 . 1 1 72 72 GLU CA C 73 58.570 58.570 58.455 0.115 18282 7159 1 12 . 1 1 72 72 GLU CB C 73 28.853 28.853 30.078 -1.225 18282 7160 1 12 . 1 1 72 72 GLU H H 73 8.595 8.595 9.023 -0.428 18282 7161 1 12 . 1 1 73 73 LYS N N 74 116.846 116.846 116.921 -0.075 18282 7162 1 12 . 1 1 73 73 LYS HA H 74 4.381 4.381 4.458 -0.077 18282 7163 1 12 . 1 1 73 73 LYS C C 74 175.662 175.662 175.757 -0.095 18282 7164 1 12 . 1 1 73 73 LYS CA C 74 55.263 55.263 56.095 -0.832 18282 7165 1 12 . 1 1 73 73 LYS CB C 74 33.891 33.891 33.158 0.733 18282 7166 1 12 . 1 1 73 73 LYS H H 74 7.493 7.493 8.232 -0.739 18282 7167 1 12 . 1 1 74 74 VAL N N 75 118.056 118.056 120.814 -2.758 18282 7168 1 12 . 1 1 74 74 VAL HA H 75 4.423 4.423 4.095 0.328 18282 7169 1 12 . 1 1 74 74 VAL CA C 75 58.438 58.438 62.663 -4.226 18282 7170 1 12 . 1 1 74 74 VAL CB C 75 33.763 33.763 31.070 2.693 18282 7171 1 12 . 1 1 74 74 VAL H H 75 7.342 7.342 8.211 -0.869 18282 7172 1 12 . 1 1 75 75 PRO HA H 76 4.585 4.585 4.509 0.076 18282 7173 1 12 . 1 1 75 75 PRO C C 76 178.543 178.543 177.679 0.864 18282 7174 1 12 . 1 1 75 75 PRO CA C 76 61.911 61.911 63.070 -1.159 18282 7175 1 12 . 1 1 75 75 PRO CB C 76 32.035 32.035 32.523 -0.488 18282 7176 1 12 . 1 1 76 76 VAL N N 77 119.825 119.825 125.423 -5.598 18282 7177 1 12 . 1 1 76 76 VAL HA H 77 3.921 3.921 3.976 -0.055 18282 7178 1 12 . 1 1 76 76 VAL CA C 77 65.316 65.316 64.603 0.714 18282 7179 1 12 . 1 1 76 76 VAL CB C 77 31.316 31.316 31.504 -0.188 18282 7180 1 12 . 1 1 76 76 VAL H H 77 8.604 8.604 8.458 0.146 18282 7181 1 12 . 1 1 77 77 THR N N 78 109.390 109.390 112.901 -3.511 18282 7182 1 12 . 1 1 77 77 THR HA H 78 3.914 3.914 4.109 -0.195 18282 7183 1 12 . 1 1 77 77 THR C C 78 175.732 175.732 175.905 -0.173 18282 7184 1 12 . 1 1 77 77 THR CA C 78 62.803 62.803 65.492 -2.689 18282 7185 1 12 . 1 1 77 77 THR CB C 78 68.357 68.357 67.775 0.582 18282 7186 1 12 . 1 1 77 77 THR H H 78 7.380 7.380 8.343 -0.963 18282 7187 1 12 . 1 1 78 78 ALA N N 79 123.661 123.661 123.757 -0.096 18282 7188 1 12 . 1 1 78 78 ALA HA H 79 4.001 4.001 4.311 -0.310 18282 7189 1 12 . 1 1 78 78 ALA C C 79 179.527 179.527 179.819 -0.292 18282 7190 1 12 . 1 1 78 78 ALA CA C 79 55.091 55.091 54.859 0.232 18282 7191 1 12 . 1 1 78 78 ALA CB C 79 17.561 17.561 18.377 -0.816 18282 7192 1 12 . 1 1 78 78 ALA H H 79 7.811 7.811 7.636 0.175 18282 7193 1 12 . 1 1 79 79 PHE N N 80 114.258 114.258 118.055 -3.797 18282 7194 1 12 . 1 1 79 79 PHE HA H 80 4.452 4.452 4.498 -0.046 18282 7195 1 12 . 1 1 79 79 PHE C C 80 178.586 178.586 178.250 0.336 18282 7196 1 12 . 1 1 79 79 PHE CA C 80 61.656 61.656 60.925 0.731 18282 7197 1 12 . 1 1 79 79 PHE CB C 80 37.694 37.694 38.672 -0.978 18282 7198 1 12 . 1 1 79 79 PHE H H 80 7.306 7.306 9.149 -1.843 18282 7199 1 12 . 1 1 80 80 SER N N 81 116.865 116.865 116.775 0.090 18282 7200 1 12 . 1 1 80 80 SER CA C 81 61.824 61.824 62.737 -0.913 18282 7201 1 12 . 1 1 80 80 SER H H 81 7.733 7.733 7.908 -0.175 18282 7202 1 12 . 1 1 81 81 TYR N N 82 121.932 121.932 122.173 -0.241 18282 7203 1 12 . 1 1 81 81 TYR HA H 82 4.133 4.133 4.121 0.012 18282 7204 1 12 . 1 1 81 81 TYR C C 82 177.701 177.701 177.412 0.289 18282 7205 1 12 . 1 1 81 81 TYR CA C 82 60.027 60.027 62.312 -2.285 18282 7206 1 12 . 1 1 81 81 TYR CB C 82 34.104 34.104 38.176 -4.072 18282 7207 1 12 . 1 1 81 81 TYR H H 82 8.151 8.151 7.777 0.374 18282 7208 1 12 . 1 1 82 82 TRP N N 83 120.817 120.817 120.210 0.607 18282 7209 1 12 . 1 1 82 82 TRP HA H 83 4.436 4.436 4.197 0.239 18282 7210 1 12 . 1 1 82 82 TRP CA C 83 63.975 63.975 61.451 2.524 18282 7211 1 12 . 1 1 82 82 TRP CB C 83 28.557 28.557 29.320 -0.763 18282 7212 1 12 . 1 1 82 82 TRP H H 83 8.645 8.645 8.128 0.517 18282 7213 1 12 . 1 1 83 83 ASN HA H 84 4.230 4.230 3.806 0.424 18282 7214 1 12 . 1 1 83 83 ASN C C 84 176.140 176.140 177.418 -1.278 18282 7215 1 12 . 1 1 83 83 ASN CA C 84 56.683 56.683 56.705 -0.022 18282 7216 1 12 . 1 1 83 83 ASN CB C 84 39.116 39.116 38.276 0.840 18282 7217 1 12 . 1 1 84 84 LEU N N 85 121.884 121.884 121.696 0.188 18282 7218 1 12 . 1 1 84 84 LEU HA H 85 4.054 4.054 4.047 0.007 18282 7219 1 12 . 1 1 84 84 LEU C C 85 178.369 178.369 177.921 0.448 18282 7220 1 12 . 1 1 84 84 LEU CA C 85 58.228 58.228 57.831 0.397 18282 7221 1 12 . 1 1 84 84 LEU CB C 85 41.576 41.576 41.778 -0.202 18282 7222 1 12 . 1 1 84 84 LEU H H 85 7.751 7.751 8.034 -0.283 18282 7223 1 12 . 1 1 85 85 ILE N N 86 116.825 116.825 119.075 -2.250 18282 7224 1 12 . 1 1 85 85 ILE HA H 86 3.462 3.462 3.483 -0.021 18282 7225 1 12 . 1 1 85 85 ILE C C 86 176.809 176.809 177.602 -0.793 18282 7226 1 12 . 1 1 85 85 ILE CA C 86 61.345 61.345 65.465 -4.120 18282 7227 1 12 . 1 1 85 85 ILE CB C 86 34.099 34.099 37.635 -3.536 18282 7228 1 12 . 1 1 85 85 ILE H H 86 7.952 7.952 8.541 -0.589 18282 7229 1 12 . 1 1 86 86 LYS N N 87 121.846 121.846 119.621 2.225 18282 7230 1 12 . 1 1 86 86 LYS HA H 87 3.231 3.231 3.836 -0.605 18282 7231 1 12 . 1 1 86 86 LYS C C 87 177.221 177.221 178.137 -0.916 18282 7232 1 12 . 1 1 86 86 LYS CA C 87 60.033 60.033 59.903 0.130 18282 7233 1 12 . 1 1 86 86 LYS CB C 87 31.005 31.005 31.703 -0.698 18282 7234 1 12 . 1 1 86 86 LYS H H 87 7.876 7.876 7.829 0.047 18282 7235 1 12 . 1 1 87 87 GLU N N 88 116.331 116.331 118.983 -2.652 18282 7236 1 12 . 1 1 87 87 GLU HA H 88 3.861 3.861 4.114 -0.253 18282 7237 1 12 . 1 1 87 87 GLU C C 88 178.810 178.810 178.743 0.067 18282 7238 1 12 . 1 1 87 87 GLU CA C 88 58.949 58.949 58.212 0.737 18282 7239 1 12 . 1 1 87 87 GLU CB C 88 29.221 29.221 28.638 0.583 18282 7240 1 12 . 1 1 87 87 GLU H H 88 7.679 7.679 7.572 0.107 18282 7241 1 12 . 1 1 88 88 LEU N N 89 118.090 118.090 121.424 -3.334 18282 7242 1 12 . 1 1 88 88 LEU HA H 89 3.909 3.909 4.021 -0.112 18282 7243 1 12 . 1 1 88 88 LEU CA C 89 57.688 57.688 57.891 -0.203 18282 7244 1 12 . 1 1 88 88 LEU CB C 89 41.436 41.436 41.392 0.044 18282 7245 1 12 . 1 1 88 88 LEU H H 89 7.441 7.441 8.209 -0.768 18282 7246 1 12 . 1 1 89 89 ILE HA H 90 3.344 3.344 3.714 -0.370 18282 7247 1 12 . 1 1 89 89 ILE CA C 90 65.082 65.082 64.670 0.412 18282 7248 1 12 . 1 1 89 89 ILE CB C 90 37.556 37.556 37.727 -0.171 18282 7249 1 12 . 1 1 90 90 ASP HA H 91 3.894 3.894 4.496 -0.602 18282 7250 1 12 . 1 1 90 90 ASP CA C 91 57.678 57.678 55.172 2.506 18282 7251 1 12 . 1 1 90 90 ASP CB C 91 40.546 40.546 40.740 -0.194 18282 7252 1 12 . 1 1 91 91 LYS N N 92 119.422 119.422 120.250 -0.828 18282 7253 1 12 . 1 1 91 91 LYS CA C 92 54.600 54.600 56.596 -1.996 18282 7254 1 12 . 1 1 91 91 LYS CB C 92 32.014 32.014 32.929 -0.915 18282 7255 1 12 . 1 1 91 91 LYS H H 92 7.903 7.903 7.425 0.478 18282 7256 1 12 . 1 1 92 92 LYS HA H 93 4.541 4.541 4.208 0.333 18282 7257 1 12 . 1 1 92 92 LYS CA C 93 55.202 55.202 58.082 -2.880 18282 7258 1 12 . 1 1 92 92 LYS CB C 93 31.758 31.758 32.420 -0.662 18282 7259 1 12 . 1 1 93 93 GLU N N 94 115.922 115.922 118.592 -2.670 18282 7260 1 12 . 1 1 93 93 GLU HA H 94 4.283 4.283 4.353 -0.070 18282 7261 1 12 . 1 1 93 93 GLU C C 94 175.613 175.613 175.604 0.009 18282 7262 1 12 . 1 1 93 93 GLU CA C 94 56.296 56.296 55.613 0.683 18282 7263 1 12 . 1 1 93 93 GLU CB C 94 29.415 29.415 27.525 1.890 18282 7264 1 12 . 1 1 93 93 GLU H H 94 8.140 8.140 8.342 -0.202 18282 7265 1 12 . 1 1 94 94 VAL N N 95 121.304 121.304 117.265 4.039 18282 7266 1 12 . 1 1 94 94 VAL HA H 95 3.773 3.773 4.355 -0.582 18282 7267 1 12 . 1 1 94 94 VAL CA C 95 62.257 62.257 61.016 1.241 18282 7268 1 12 . 1 1 94 94 VAL CB C 95 32.047 32.047 33.579 -1.532 18282 7269 1 12 . 1 1 94 94 VAL H H 95 8.003 8.003 7.435 0.568 18282 7270 1 12 . 1 1 95 95 ASN H H 96 7.518 7.518 8.602 -1.084 18282 7271 1 12 . 1 1 96 96 PRO HA H 97 4.319 4.319 4.167 0.152 18282 7272 1 12 . 1 1 96 96 PRO C C 97 179.088 179.088 178.031 1.057 18282 7273 1 12 . 1 1 96 96 PRO CA C 97 64.963 64.963 64.823 0.140 18282 7274 1 12 . 1 1 96 96 PRO CB C 97 32.035 32.035 31.711 0.324 18282 7275 1 12 . 1 1 97 97 GLN N N 98 117.793 117.793 117.677 0.116 18282 7276 1 12 . 1 1 97 97 GLN HA H 98 3.952 3.952 4.044 -0.092 18282 7277 1 12 . 1 1 97 97 GLN C C 98 179.272 179.272 177.503 1.769 18282 7278 1 12 . 1 1 97 97 GLN CA C 98 55.691 55.691 58.581 -2.890 18282 7279 1 12 . 1 1 97 97 GLN CB C 98 28.378 28.378 27.105 1.273 18282 7280 1 12 . 1 1 97 97 GLN H H 98 8.351 8.351 8.516 -0.165 18282 7281 1 12 . 1 1 98 98 VAL N N 99 121.247 121.247 120.572 0.675 18282 7282 1 12 . 1 1 98 98 VAL HA H 99 3.440 3.440 3.800 -0.360 18282 7283 1 12 . 1 1 98 98 VAL CA C 99 67.776 67.776 65.821 1.955 18282 7284 1 12 . 1 1 98 98 VAL CB C 99 31.574 31.574 31.808 -0.234 18282 7285 1 12 . 1 1 98 98 VAL H H 99 7.901 7.901 7.577 0.324 18282 7286 1 12 . 1 1 100 100 ALA HA H 101 4.218 4.218 4.128 0.090 18282 7287 1 12 . 1 1 100 100 ALA C C 101 179.599 179.599 179.470 0.129 18282 7288 1 12 . 1 1 100 100 ALA CA C 101 54.685 54.685 54.733 -0.048 18282 7289 1 12 . 1 1 100 100 ALA CB C 101 17.562 17.562 17.941 -0.379 18282 7290 1 12 . 1 1 101 101 ALA N N 102 119.533 119.533 121.212 -1.679 18282 7291 1 12 . 1 1 101 101 ALA HA H 102 4.005 4.005 4.436 -0.431 18282 7292 1 12 . 1 1 101 101 ALA C C 102 180.970 180.970 179.212 1.758 18282 7293 1 12 . 1 1 101 101 ALA CA C 102 55.013 55.013 53.844 1.169 18282 7294 1 12 . 1 1 101 101 ALA CB C 102 17.422 17.422 18.353 -0.931 18282 7295 1 12 . 1 1 101 101 ALA H H 102 7.559 7.559 7.811 -0.252 18282 7296 1 12 . 1 1 102 102 VAL N N 103 122.669 122.669 119.119 3.550 18282 7297 1 12 . 1 1 102 102 VAL HA H 103 4.087 4.087 3.687 0.400 18282 7298 1 12 . 1 1 102 102 VAL C C 103 175.666 175.666 176.398 -0.732 18282 7299 1 12 . 1 1 102 102 VAL CA C 103 61.850 61.850 64.698 -2.848 18282 7300 1 12 . 1 1 102 102 VAL CB C 103 32.576 32.576 31.055 1.521 18282 7301 1 12 . 1 1 102 102 VAL H H 103 8.851 8.851 7.698 1.153 18282 7302 1 12 . 1 1 103 103 ALA N N 104 128.048 128.048 120.535 7.513 18282 7303 1 12 . 1 1 103 103 ALA HA H 104 4.288 4.288 4.076 0.212 18282 7304 1 12 . 1 1 103 103 ALA C C 104 177.344 177.344 178.951 -1.607 18282 7305 1 12 . 1 1 103 103 ALA CA C 104 52.194 52.194 54.336 -2.142 18282 7306 1 12 . 1 1 103 103 ALA CB C 104 19.021 19.021 18.824 0.197 18282 7307 1 12 . 1 1 103 103 ALA H H 104 8.374 8.374 7.354 1.020 18282 7308 1 12 . 1 1 104 104 GLN N N 105 120.285 120.285 117.705 2.580 18282 7309 1 12 . 1 1 104 104 GLN HA H 105 4.281 4.281 4.051 0.230 18282 7310 1 12 . 1 1 104 104 GLN CA C 105 55.656 55.656 57.639 -1.983 18282 7311 1 12 . 1 1 104 104 GLN CB C 105 32.581 32.581 29.309 3.272 18282 7312 1 12 . 1 1 104 104 GLN H H 105 8.374 8.374 7.690 0.684 18282 7313 1 12 . 1 1 105 105 THR HA H 106 4.293 4.293 4.389 -0.096 18282 7314 1 12 . 1 1 105 105 THR C C 106 174.384 174.384 173.363 1.021 18282 7315 1 12 . 1 1 105 105 THR CA C 106 61.663 61.663 62.809 -1.147 18282 7316 1 12 . 1 1 105 105 THR CB C 106 69.458 69.458 69.273 0.185 18282 7317 1 12 . 1 1 106 106 GLU N N 107 122.744 122.744 124.504 -1.760 18282 7318 1 12 . 1 1 106 106 GLU HA H 107 4.241 4.241 4.548 -0.307 18282 7319 1 12 . 1 1 106 106 GLU C C 107 176.331 176.331 175.583 0.748 18282 7320 1 12 . 1 1 106 106 GLU CA C 107 56.621 56.621 54.959 1.662 18282 7321 1 12 . 1 1 106 106 GLU CB C 107 30.004 30.004 32.307 -2.303 18282 7322 1 12 . 1 1 106 106 GLU H H 107 8.415 8.415 8.430 -0.015 18282 7323 1 12 . 1 1 107 107 GLU N N 108 121.993 121.993 120.843 1.150 18282 7324 1 12 . 1 1 107 107 GLU HA H 108 4.184 4.184 4.690 -0.506 18282 7325 1 12 . 1 1 107 107 GLU C C 108 176.404 176.404 177.340 -0.936 18282 7326 1 12 . 1 1 107 107 GLU CA C 108 56.721 56.721 55.349 1.371 18282 7327 1 12 . 1 1 107 107 GLU CB C 108 29.770 29.770 30.553 -0.783 18282 7328 1 12 . 1 1 107 107 GLU H H 108 8.334 8.334 8.791 -0.457 18282 7329 1 12 . 1 1 108 108 ILE N N 109 122.204 122.204 121.877 0.327 18282 7330 1 12 . 1 1 108 108 ILE HA H 109 4.052 4.052 3.716 0.336 18282 7331 1 12 . 1 1 108 108 ILE C C 109 176.261 176.261 176.364 -0.103 18282 7332 1 12 . 1 1 108 108 ILE CA C 109 61.245 61.245 63.732 -2.487 18282 7333 1 12 . 1 1 108 108 ILE CB C 109 38.157 38.157 37.799 0.358 18282 7334 1 12 . 1 1 108 108 ILE H H 109 8.068 8.068 8.938 -0.870 18282 7335 1 12 . 1 1 109 109 LEU N N 110 125.608 125.608 121.353 4.255 18282 7336 1 12 . 1 1 109 109 LEU HA H 110 4.295 4.295 4.015 0.280 18282 7337 1 12 . 1 1 109 109 LEU C C 110 177.275 177.275 178.883 -1.608 18282 7338 1 12 . 1 1 109 109 LEU CA C 110 55.103 55.103 57.457 -2.354 18282 7339 1 12 . 1 1 109 109 LEU CB C 110 41.929 41.929 41.209 0.720 18282 7340 1 12 . 1 1 109 109 LEU H H 110 8.187 8.187 7.563 0.624 18282 7341 1 12 . 1 1 110 110 LYS N N 111 122.154 122.154 119.607 2.547 18282 7342 1 12 . 1 1 110 110 LYS HA H 111 4.278 4.278 4.221 0.057 18282 7343 1 12 . 1 1 110 110 LYS C C 111 176.606 176.606 178.229 -1.623 18282 7344 1 12 . 1 1 110 110 LYS CA C 111 56.125 56.125 59.095 -2.970 18282 7345 1 12 . 1 1 110 110 LYS CB C 111 32.423 32.423 32.350 0.073 18282 7346 1 12 . 1 1 110 110 LYS H H 111 8.206 8.206 8.254 -0.048 18282 7347 1 12 . 1 1 111 111 SER N N 112 116.381 116.381 114.069 2.312 18282 7348 1 12 . 1 1 111 111 SER HA H 112 4.395 4.395 4.284 0.111 18282 7349 1 12 . 1 1 111 111 SER C C 112 175.168 175.168 176.630 -1.462 18282 7350 1 12 . 1 1 111 111 SER CA C 112 58.456 58.456 61.006 -2.550 18282 7351 1 12 . 1 1 111 111 SER CB C 112 63.495 63.495 63.461 0.034 18282 7352 1 12 . 1 1 111 111 SER H H 112 8.217 8.217 7.693 0.524 18282 7353 1 12 . 1 1 112 112 ASN N N 113 119.799 119.799 119.149 0.650 18282 7354 1 12 . 1 1 112 112 ASN HA H 113 4.699 4.699 4.564 0.135 18282 7355 1 12 . 1 1 112 112 ASN C C 113 175.552 175.552 175.697 -0.145 18282 7356 1 12 . 1 1 112 112 ASN CA C 113 53.592 53.592 55.007 -1.415 18282 7357 1 12 . 1 1 112 112 ASN CB C 113 38.772 38.772 39.207 -0.435 18282 7358 1 12 . 1 1 112 112 ASN H H 113 7.950 7.950 8.001 -0.051 18282 7359 1 12 . 1 1 113 113 SER N N 114 115.430 115.430 111.393 4.037 18282 7360 1 12 . 1 1 113 113 SER HA H 114 4.382 4.382 4.803 -0.421 18282 7361 1 12 . 1 1 113 113 SER C C 114 174.558 174.558 172.693 1.865 18282 7362 1 12 . 1 1 113 113 SER CA C 114 58.919 58.919 57.594 1.325 18282 7363 1 12 . 1 1 113 113 SER CB C 114 63.494 63.494 65.481 -1.987 18282 7364 1 12 . 1 1 113 113 SER H H 114 7.970 7.970 7.900 0.070 18282 7365 1 12 . 1 1 114 114 GLN N N 115 121.973 121.973 116.749 5.224 18282 7366 1 12 . 1 1 114 114 GLN HA H 115 4.347 4.347 4.419 -0.072 18282 7367 1 12 . 1 1 114 114 GLN C C 115 176.246 176.246 176.237 0.009 18282 7368 1 12 . 1 1 114 114 GLN CA C 115 56.036 56.036 56.569 -0.533 18282 7369 1 12 . 1 1 114 114 GLN CB C 115 29.196 29.196 29.188 0.008 18282 7370 1 12 . 1 1 114 114 GLN H H 115 8.382 8.382 8.714 -0.332 18282 7371 1 12 . 1 1 115 115 THR N N 116 114.701 114.701 114.166 0.535 18282 7372 1 12 . 1 1 115 115 THR HA H 116 4.238 4.238 4.101 0.137 18282 7373 1 12 . 1 1 115 115 THR C C 116 174.276 174.276 175.500 -1.224 18282 7374 1 12 . 1 1 115 115 THR CA C 116 62.221 62.221 65.269 -3.048 18282 7375 1 12 . 1 1 115 115 THR CB C 116 69.405 69.405 68.509 0.896 18282 7376 1 12 . 1 1 115 115 THR H H 116 8.070 8.070 7.938 0.132 18282 7377 1 12 . 1 1 116 116 ASP N N 117 122.566 122.566 120.943 1.623 18282 7378 1 12 . 1 1 116 116 ASP HA H 117 4.575 4.575 4.466 0.109 18282 7379 1 12 . 1 1 116 116 ASP C C 117 176.241 176.241 175.619 0.622 18282 7380 1 12 . 1 1 116 116 ASP CA C 117 54.286 54.286 55.841 -1.555 18282 7381 1 12 . 1 1 116 116 ASP CB C 117 40.609 40.609 41.212 -0.603 18282 7382 1 12 . 1 1 116 116 ASP H H 117 8.288 8.288 8.604 -0.316 18282 7383 1 12 . 1 1 117 117 LEU N N 118 122.118 122.118 120.496 1.622 18282 7384 1 12 . 1 1 117 117 LEU HA H 118 4.163 4.163 4.500 -0.337 18282 7385 1 12 . 1 1 117 117 LEU C C 118 177.637 177.637 174.630 3.007 18282 7386 1 12 . 1 1 117 117 LEU CA C 118 55.475 55.475 53.975 1.500 18282 7387 1 12 . 1 1 117 117 LEU CB C 118 41.964 41.964 43.408 -1.444 18282 7388 1 12 . 1 1 117 117 LEU H H 118 8.088 8.088 8.010 0.078 18282 7389 1 12 . 1 1 118 118 GLU N N 119 119.527 119.527 120.528 -1.001 18282 7390 1 12 . 1 1 118 118 GLU HA H 119 4.086 4.086 4.279 -0.193 18282 7391 1 12 . 1 1 118 118 GLU C C 119 176.265 176.265 174.702 1.563 18282 7392 1 12 . 1 1 118 118 GLU CA C 119 56.569 56.569 54.686 1.883 18282 7393 1 12 . 1 1 118 118 GLU CB C 119 29.486 29.486 31.962 -2.476 18282 7394 1 12 . 1 1 118 118 GLU H H 119 8.134 8.134 8.259 -0.125 18282 7395 1 12 . 1 1 119 119 HIS N N 120 118.076 118.076 118.142 -0.066 18282 7396 1 12 . 1 1 119 119 HIS HA H 120 4.485 4.485 4.898 -0.413 18282 7397 1 12 . 1 1 119 119 HIS CA C 120 55.422 55.422 55.332 0.090 18282 7398 1 12 . 1 1 119 119 HIS CB C 120 28.628 28.628 31.141 -2.513 18282 7399 1 12 . 1 1 119 119 HIS H H 120 8.134 8.134 8.425 -0.291 18282 7400 1 12 . 1 1 120 120 HIS N N 121 119.323 119.323 120.062 -0.739 18282 7401 1 12 . 1 1 120 120 HIS HA H 121 4.242 4.242 4.830 -0.588 18282 7402 1 12 . 1 1 120 120 HIS CA C 121 56.732 56.732 55.678 1.054 18282 7403 1 12 . 1 1 120 120 HIS H H 121 8.372 8.372 8.519 -0.147 18282 7404 1 12 . 1 1 121 121 HIS N N 122 126.032 126.032 120.189 5.843 18282 7405 1 12 . 1 1 121 121 HIS CA C 122 57.036 57.036 55.532 1.504 18282 7406 1 12 . 1 1 121 121 HIS CB C 122 29.923 29.923 31.318 -1.395 18282 7407 1 12 . 1 1 121 121 HIS H H 122 7.900 7.900 8.692 -0.792 18282 7408 1 12 . 1 1 122 122 HIS N N 123 121.012 121.012 121.049 -0.037 18282 7409 1 12 . 1 1 122 122 HIS HA H 123 4.595 4.595 4.424 0.171 18282 7410 1 12 . 1 1 122 122 HIS CA C 123 55.372 55.372 57.670 -2.298 18282 7411 1 12 . 1 1 122 122 HIS CB C 123 29.165 29.165 30.577 -1.412 18282 7412 1 12 . 1 1 122 122 HIS H H 123 8.595 8.595 8.647 -0.052 18282 7413 1 12 . 1 1 123 123 HIS N N 124 120.343 120.343 116.416 3.927 18282 7414 1 12 . 1 1 123 123 HIS CA C 124 57.380 57.380 55.566 1.814 18282 7415 1 12 . 1 1 123 123 HIS CB C 124 35.491 35.491 31.215 4.276 18282 7416 1 12 . 1 1 123 123 HIS H H 124 8.558 8.558 8.046 0.512 18282 7417 1 13 . 1 1 2 2 GLN N N 3 122.228 122.228 119.986 2.242 18282 7418 1 13 . 1 1 2 2 GLN HA H 3 3.896 3.896 4.120 -0.224 18282 7419 1 13 . 1 1 2 2 GLN C C 3 178.672 178.672 177.761 0.911 18282 7420 1 13 . 1 1 2 2 GLN CA C 3 58.794 58.794 57.713 1.081 18282 7421 1 13 . 1 1 2 2 GLN H H 3 9.310 9.310 8.519 0.791 18282 7422 1 13 . 1 1 3 3 GLU N N 4 119.529 119.529 119.960 -0.431 18282 7423 1 13 . 1 1 3 3 GLU C C 4 175.504 175.504 178.722 -3.218 18282 7424 1 13 . 1 1 3 3 GLU CA C 4 59.561 59.561 58.828 0.733 18282 7425 1 13 . 1 1 3 3 GLU CB C 4 28.876 28.876 28.729 0.147 18282 7426 1 13 . 1 1 3 3 GLU H H 4 8.489 8.489 8.788 -0.299 18282 7427 1 13 . 1 1 4 4 LEU N N 5 114.832 114.832 121.319 -6.487 18282 7428 1 13 . 1 1 4 4 LEU HA H 5 3.716 3.716 3.939 -0.223 18282 7429 1 13 . 1 1 4 4 LEU C C 5 178.276 178.276 177.838 0.438 18282 7430 1 13 . 1 1 4 4 LEU CA C 5 57.813 57.813 57.913 -0.100 18282 7431 1 13 . 1 1 4 4 LEU CB C 5 40.844 40.844 41.825 -0.980 18282 7432 1 13 . 1 1 4 4 LEU H H 5 8.210 8.210 7.537 0.673 18282 7433 1 13 . 1 1 5 5 SER N N 6 109.726 109.726 113.556 -3.830 18282 7434 1 13 . 1 1 5 5 SER HA H 6 4.127 4.127 4.032 0.095 18282 7435 1 13 . 1 1 5 5 SER C C 6 178.508 178.508 176.885 1.623 18282 7436 1 13 . 1 1 5 5 SER CA C 6 60.401 60.401 61.556 -1.155 18282 7437 1 13 . 1 1 5 5 SER CB C 6 63.535 63.535 62.705 0.831 18282 7438 1 13 . 1 1 5 5 SER H H 6 8.247 8.247 8.385 -0.138 18282 7439 1 13 . 1 1 6 6 GLN N N 7 117.203 117.203 120.943 -3.740 18282 7440 1 13 . 1 1 6 6 GLN HA H 7 4.026 4.026 4.024 0.002 18282 7441 1 13 . 1 1 6 6 GLN CA C 7 58.474 58.474 58.951 -0.477 18282 7442 1 13 . 1 1 6 6 GLN H H 7 8.719 8.719 8.488 0.231 18282 7443 1 13 . 1 1 7 7 HIS C C 8 178.622 178.622 177.679 0.943 18282 7444 1 13 . 1 1 8 8 GLU N N 9 120.357 120.357 118.470 1.887 18282 7445 1 13 . 1 1 8 8 GLU HA H 9 3.969 3.969 4.027 -0.058 18282 7446 1 13 . 1 1 8 8 GLU C C 9 178.408 178.408 179.244 -0.836 18282 7447 1 13 . 1 1 8 8 GLU CA C 9 58.244 58.244 59.584 -1.340 18282 7448 1 13 . 1 1 8 8 GLU CB C 9 29.013 29.013 29.518 -0.505 18282 7449 1 13 . 1 1 8 8 GLU H H 9 7.701 7.701 7.873 -0.172 18282 7450 1 13 . 1 1 9 9 ARG N N 10 118.791 118.791 118.936 -0.145 18282 7451 1 13 . 1 1 9 9 ARG HA H 10 4.124 4.124 4.042 0.082 18282 7452 1 13 . 1 1 9 9 ARG C C 10 178.599 178.599 178.549 0.050 18282 7453 1 13 . 1 1 9 9 ARG CA C 10 58.633 58.633 59.130 -0.497 18282 7454 1 13 . 1 1 9 9 ARG CB C 10 29.005 29.005 30.212 -1.207 18282 7455 1 13 . 1 1 9 9 ARG H H 10 8.910 8.910 7.539 1.371 18282 7456 1 13 . 1 1 10 10 TYR N N 11 121.239 121.239 120.919 0.320 18282 7457 1 13 . 1 1 10 10 TYR HA H 11 4.186 4.186 4.097 0.089 18282 7458 1 13 . 1 1 10 10 TYR C C 11 176.644 176.644 177.608 -0.964 18282 7459 1 13 . 1 1 10 10 TYR CA C 11 61.311 61.311 62.014 -0.703 18282 7460 1 13 . 1 1 10 10 TYR CB C 11 37.956 37.956 38.178 -0.222 18282 7461 1 13 . 1 1 10 10 TYR H H 11 7.562 7.562 8.610 -1.048 18282 7462 1 13 . 1 1 11 11 VAL N N 12 119.249 119.249 118.648 0.601 18282 7463 1 13 . 1 1 11 11 VAL HA H 12 3.119 3.119 3.553 -0.434 18282 7464 1 13 . 1 1 11 11 VAL C C 12 177.275 177.275 177.994 -0.719 18282 7465 1 13 . 1 1 11 11 VAL CA C 12 66.925 66.925 66.050 0.875 18282 7466 1 13 . 1 1 11 11 VAL CB C 12 30.981 30.981 31.720 -0.739 18282 7467 1 13 . 1 1 11 11 VAL H H 12 8.087 8.087 7.408 0.679 18282 7468 1 13 . 1 1 12 12 GLU N N 13 119.569 119.569 117.967 1.602 18282 7469 1 13 . 1 1 12 12 GLU HA H 13 4.213 4.213 3.970 0.243 18282 7470 1 13 . 1 1 12 12 GLU C C 13 175.207 175.207 178.755 -3.548 18282 7471 1 13 . 1 1 12 12 GLU CA C 13 55.971 55.971 58.989 -3.018 18282 7472 1 13 . 1 1 12 12 GLU CB C 13 28.439 28.439 29.605 -1.166 18282 7473 1 13 . 1 1 12 12 GLU H H 13 8.312 8.312 7.548 0.764 18282 7474 1 13 . 1 1 13 13 GLN N N 14 119.375 119.375 120.127 -0.752 18282 7475 1 13 . 1 1 13 13 GLN HA H 14 3.657 3.657 4.039 -0.382 18282 7476 1 13 . 1 1 13 13 GLN CA C 14 54.294 54.294 58.190 -3.896 18282 7477 1 13 . 1 1 13 13 GLN CB C 14 29.681 29.681 28.477 1.204 18282 7478 1 13 . 1 1 13 13 GLN H H 14 7.690 7.690 8.844 -1.154 18282 7479 1 13 . 1 1 14 14 LEU HA H 15 3.865 3.865 3.727 0.138 18282 7480 1 13 . 1 1 14 14 LEU CA C 15 58.177 58.177 57.300 0.877 18282 7481 1 13 . 1 1 14 14 LEU CB C 15 40.693 40.693 40.735 -0.042 18282 7482 1 13 . 1 1 15 15 LYS HA H 16 3.737 3.737 3.825 -0.088 18282 7483 1 13 . 1 1 15 15 LYS C C 16 177.817 177.817 179.153 -1.336 18282 7484 1 13 . 1 1 15 15 LYS CA C 16 60.352 60.352 59.392 0.959 18282 7485 1 13 . 1 1 15 15 LYS CB C 16 32.106 32.106 31.926 0.180 18282 7486 1 13 . 1 1 16 16 GLN N N 17 117.498 117.498 119.005 -1.507 18282 7487 1 13 . 1 1 16 16 GLN HA H 17 3.864 3.864 3.946 -0.082 18282 7488 1 13 . 1 1 16 16 GLN CA C 17 58.307 58.307 58.621 -0.314 18282 7489 1 13 . 1 1 16 16 GLN CB C 17 27.788 27.788 28.475 -0.687 18282 7490 1 13 . 1 1 16 16 GLN H H 17 7.862 7.862 7.492 0.370 18282 7491 1 13 . 1 1 17 17 ALA HA H 18 3.793 3.793 3.986 -0.193 18282 7492 1 13 . 1 1 17 17 ALA C C 18 179.147 179.147 179.592 -0.445 18282 7493 1 13 . 1 1 17 17 ALA CA C 18 54.792 54.792 54.695 0.097 18282 7494 1 13 . 1 1 17 17 ALA CB C 18 17.693 17.693 18.160 -0.467 18282 7495 1 13 . 1 1 18 18 LEU N N 19 117.278 117.278 117.660 -0.382 18282 7496 1 13 . 1 1 18 18 LEU HA H 19 3.784 3.784 3.912 -0.128 18282 7497 1 13 . 1 1 18 18 LEU C C 19 174.935 174.935 178.285 -3.350 18282 7498 1 13 . 1 1 18 18 LEU CA C 19 57.731 57.731 56.581 1.151 18282 7499 1 13 . 1 1 18 18 LEU CB C 19 40.703 40.703 41.618 -0.915 18282 7500 1 13 . 1 1 18 18 LEU H H 19 8.168 8.168 7.411 0.757 18282 7501 1 13 . 1 1 19 19 LYS N N 20 118.025 118.025 120.321 -2.296 18282 7502 1 13 . 1 1 19 19 LYS C C 20 177.982 177.982 178.750 -0.768 18282 7503 1 13 . 1 1 19 19 LYS CA C 20 60.439 60.439 59.401 1.038 18282 7504 1 13 . 1 1 19 19 LYS H H 20 8.345 8.345 7.567 0.778 18282 7505 1 13 . 1 1 20 20 THR N N 21 116.345 116.345 111.360 4.985 18282 7506 1 13 . 1 1 20 20 THR HA H 21 4.126 4.126 4.174 -0.048 18282 7507 1 13 . 1 1 20 20 THR C C 21 175.469 175.469 175.901 -0.432 18282 7508 1 13 . 1 1 20 20 THR CA C 21 64.643 64.643 63.841 0.802 18282 7509 1 13 . 1 1 20 20 THR CB C 21 68.652 68.652 68.839 -0.187 18282 7510 1 13 . 1 1 20 20 THR H H 21 7.896 7.896 7.555 0.341 18282 7511 1 13 . 1 1 21 21 ARG N N 22 118.792 118.792 120.630 -1.838 18282 7512 1 13 . 1 1 21 21 ARG HA H 22 4.375 4.375 4.193 0.182 18282 7513 1 13 . 1 1 21 21 ARG C C 22 176.364 176.364 176.705 -0.341 18282 7514 1 13 . 1 1 21 21 ARG CA C 22 54.157 54.157 55.281 -1.124 18282 7515 1 13 . 1 1 21 21 ARG CB C 22 29.453 29.453 28.717 0.736 18282 7516 1 13 . 1 1 21 21 ARG H H 22 7.317 7.317 7.766 -0.449 18282 7517 1 13 . 1 1 22 22 GLY N N 23 108.428 108.428 105.994 2.434 18282 7518 1 13 . 1 1 22 22 GLY C C 23 174.154 174.154 174.193 -0.039 18282 7519 1 13 . 1 1 22 22 GLY CA C 23 45.953 45.953 45.287 0.666 18282 7520 1 13 . 1 1 22 22 GLY H H 23 7.881 7.881 7.728 0.153 18282 7521 1 13 . 1 1 23 23 VAL N N 24 117.319 117.319 117.810 -0.491 18282 7522 1 13 . 1 1 23 23 VAL HA H 24 4.036 4.036 4.168 -0.132 18282 7523 1 13 . 1 1 23 23 VAL C C 24 175.601 175.601 174.670 0.931 18282 7524 1 13 . 1 1 23 23 VAL CA C 24 61.635 61.635 60.441 1.194 18282 7525 1 13 . 1 1 23 23 VAL CB C 24 32.589 32.589 33.697 -1.108 18282 7526 1 13 . 1 1 23 23 VAL H H 24 7.431 7.431 7.187 0.244 18282 7527 1 13 . 1 1 24 24 LYS N N 25 127.424 127.424 123.190 4.234 18282 7528 1 13 . 1 1 24 24 LYS HA H 25 4.336 4.336 4.478 -0.142 18282 7529 1 13 . 1 1 24 24 LYS C C 25 175.550 175.550 174.987 0.563 18282 7530 1 13 . 1 1 24 24 LYS CA C 25 55.811 55.811 55.357 0.454 18282 7531 1 13 . 1 1 24 24 LYS CB C 25 32.269 32.269 33.992 -1.723 18282 7532 1 13 . 1 1 24 24 LYS H H 25 8.665 8.665 8.338 0.327 18282 7533 1 13 . 1 1 25 25 VAL N N 26 120.764 120.764 120.878 -0.114 18282 7534 1 13 . 1 1 25 25 VAL HA H 26 4.140 4.140 4.308 -0.168 18282 7535 1 13 . 1 1 25 25 VAL C C 26 174.206 174.206 175.487 -1.281 18282 7536 1 13 . 1 1 25 25 VAL CA C 26 60.316 60.316 59.981 0.335 18282 7537 1 13 . 1 1 25 25 VAL CB C 26 33.920 33.920 32.879 1.041 18282 7538 1 13 . 1 1 25 25 VAL H H 26 7.545 7.545 8.212 -0.667 18282 7539 1 13 . 1 1 26 26 LYS N N 27 125.707 125.707 124.571 1.136 18282 7540 1 13 . 1 1 26 26 LYS HA H 27 4.115 4.115 4.482 -0.367 18282 7541 1 13 . 1 1 26 26 LYS CA C 27 55.211 55.211 54.570 0.641 18282 7542 1 13 . 1 1 26 26 LYS CB C 27 31.930 31.930 33.616 -1.686 18282 7543 1 13 . 1 1 26 26 LYS H H 27 8.608 8.608 7.997 0.611 18282 7544 1 13 . 1 1 27 27 TYR CA C 28 56.418 56.418 61.690 -5.272 18282 7545 1 13 . 1 1 27 27 TYR CB C 28 37.036 37.036 36.894 0.142 18282 7546 1 13 . 1 1 28 28 ALA N N 29 120.712 120.712 120.406 0.306 18282 7547 1 13 . 1 1 28 28 ALA HA H 29 3.712 3.712 4.054 -0.343 18282 7548 1 13 . 1 1 28 28 ALA C C 29 180.210 180.210 179.633 0.577 18282 7549 1 13 . 1 1 28 28 ALA CA C 29 54.911 54.911 54.568 0.343 18282 7550 1 13 . 1 1 28 28 ALA CB C 29 18.034 18.034 17.474 0.560 18282 7551 1 13 . 1 1 28 28 ALA H H 29 8.326 8.326 8.409 -0.083 18282 7552 1 13 . 1 1 29 29 ASP N N 30 117.166 117.166 119.289 -2.123 18282 7553 1 13 . 1 1 29 29 ASP HA H 30 4.379 4.379 4.393 -0.014 18282 7554 1 13 . 1 1 29 29 ASP C C 30 178.427 178.427 178.384 0.043 18282 7555 1 13 . 1 1 29 29 ASP CA C 30 56.459 56.459 57.018 -0.559 18282 7556 1 13 . 1 1 29 29 ASP CB C 30 39.962 39.962 40.623 -0.661 18282 7557 1 13 . 1 1 29 29 ASP H H 30 6.913 6.913 8.458 -1.545 18282 7558 1 13 . 1 1 30 30 LEU N N 31 123.105 123.105 120.257 2.848 18282 7559 1 13 . 1 1 30 30 LEU HA H 31 3.491 3.491 4.211 -0.720 18282 7560 1 13 . 1 1 30 30 LEU CA C 31 56.841 56.841 58.139 -1.298 18282 7561 1 13 . 1 1 30 30 LEU CB C 31 40.888 40.888 42.156 -1.268 18282 7562 1 13 . 1 1 30 30 LEU H H 31 7.543 7.543 7.587 -0.044 18282 7563 1 13 . 1 1 31 31 LEU HA H 32 3.611 3.611 3.943 -0.332 18282 7564 1 13 . 1 1 31 31 LEU C C 32 179.120 179.120 179.408 -0.288 18282 7565 1 13 . 1 1 31 31 LEU CA C 32 58.103 58.103 58.052 0.051 18282 7566 1 13 . 1 1 31 31 LEU CB C 32 40.594 40.594 41.133 -0.539 18282 7567 1 13 . 1 1 32 32 LYS N N 33 118.074 118.074 118.848 -0.774 18282 7568 1 13 . 1 1 32 32 LYS HA H 33 4.202 4.202 4.099 0.103 18282 7569 1 13 . 1 1 32 32 LYS C C 33 180.044 180.044 178.537 1.507 18282 7570 1 13 . 1 1 32 32 LYS CA C 33 59.081 59.081 59.014 0.067 18282 7571 1 13 . 1 1 32 32 LYS CB C 33 31.735 31.735 32.621 -0.886 18282 7572 1 13 . 1 1 32 32 LYS H H 33 7.189 7.189 7.926 -0.737 18282 7573 1 13 . 1 1 33 33 PHE N N 34 122.977 122.977 120.805 2.172 18282 7574 1 13 . 1 1 33 33 PHE CA C 34 60.402 60.402 61.608 -1.206 18282 7575 1 13 . 1 1 33 33 PHE H H 34 7.768 7.768 8.676 -0.908 18282 7576 1 13 . 1 1 34 34 PHE HA H 35 3.800 3.800 4.002 -0.202 18282 7577 1 13 . 1 1 34 34 PHE C C 35 176.355 176.355 177.141 -0.786 18282 7578 1 13 . 1 1 34 34 PHE CA C 35 61.813 61.813 61.974 -0.161 18282 7579 1 13 . 1 1 34 34 PHE CB C 35 37.164 37.164 38.982 -1.818 18282 7580 1 13 . 1 1 35 35 ASP N N 36 119.969 119.969 119.962 0.007 18282 7581 1 13 . 1 1 35 35 ASP C C 36 177.087 177.087 179.011 -1.924 18282 7582 1 13 . 1 1 35 35 ASP CA C 36 58.278 58.278 57.439 0.839 18282 7583 1 13 . 1 1 35 35 ASP CB C 36 39.578 39.578 40.372 -0.794 18282 7584 1 13 . 1 1 35 35 ASP H H 36 8.338 8.338 7.928 0.410 18282 7585 1 13 . 1 1 36 36 PHE N N 37 122.901 122.901 119.630 3.271 18282 7586 1 13 . 1 1 36 36 PHE C C 37 178.788 178.788 177.379 1.409 18282 7587 1 13 . 1 1 36 36 PHE CA C 37 61.416 61.416 60.659 0.757 18282 7588 1 13 . 1 1 36 36 PHE CB C 37 38.369 38.369 38.468 -0.099 18282 7589 1 13 . 1 1 36 36 PHE H H 37 7.860 7.860 8.234 -0.374 18282 7590 1 13 . 1 1 37 37 VAL N N 38 122.329 122.329 114.511 7.818 18282 7591 1 13 . 1 1 37 37 VAL HA H 38 3.100 3.100 3.608 -0.508 18282 7592 1 13 . 1 1 37 37 VAL C C 38 176.147 176.147 177.686 -1.539 18282 7593 1 13 . 1 1 37 37 VAL CA C 38 67.153 67.153 65.633 1.520 18282 7594 1 13 . 1 1 37 37 VAL CB C 38 30.625 30.625 31.472 -0.847 18282 7595 1 13 . 1 1 37 37 VAL H H 38 8.451 8.451 7.826 0.625 18282 7596 1 13 . 1 1 38 38 LYS N N 39 118.837 118.837 119.446 -0.609 18282 7597 1 13 . 1 1 38 38 LYS HA H 39 3.473 3.473 3.913 -0.440 18282 7598 1 13 . 1 1 38 38 LYS C C 39 176.361 176.361 178.248 -1.887 18282 7599 1 13 . 1 1 38 38 LYS CA C 39 59.519 59.519 59.377 0.142 18282 7600 1 13 . 1 1 38 38 LYS CB C 39 31.628 31.628 32.166 -0.538 18282 7601 1 13 . 1 1 38 38 LYS H H 39 7.581 7.581 7.906 -0.325 18282 7602 1 13 . 1 1 39 39 ASP N N 40 116.210 116.210 117.707 -1.497 18282 7603 1 13 . 1 1 39 39 ASP HA H 40 4.261 4.261 4.475 -0.214 18282 7604 1 13 . 1 1 39 39 ASP CA C 40 56.580 56.580 56.567 0.013 18282 7605 1 13 . 1 1 39 39 ASP CB C 40 40.977 40.977 41.047 -0.070 18282 7606 1 13 . 1 1 39 39 ASP H H 40 8.052 8.052 7.808 0.244 18282 7607 1 13 . 1 1 40 40 THR N N 41 109.215 109.215 106.923 2.292 18282 7608 1 13 . 1 1 40 40 THR C C 41 174.559 174.559 175.072 -0.513 18282 7609 1 13 . 1 1 40 40 THR H H 41 7.232 7.232 7.618 -0.386 18282 7610 1 13 . 1 1 41 41 CYS N N 42 117.927 117.927 121.083 -3.156 18282 7611 1 13 . 1 1 41 41 CYS CA C 42 55.865 55.865 58.770 -2.905 18282 7612 1 13 . 1 1 41 41 CYS CB C 42 28.500 28.500 26.063 2.437 18282 7613 1 13 . 1 1 41 41 CYS H H 42 7.197 7.197 8.529 -1.332 18282 7614 1 13 . 1 1 42 42 PRO HA H 43 3.987 3.987 4.443 -0.456 18282 7615 1 13 . 1 1 42 42 PRO C C 43 176.688 176.688 177.627 -0.939 18282 7616 1 13 . 1 1 42 42 PRO CA C 43 65.206 65.206 64.380 0.826 18282 7617 1 13 . 1 1 42 42 PRO CB C 43 30.767 30.767 32.187 -1.420 18282 7618 1 13 . 1 1 43 43 TRP N N 44 113.805 113.805 118.625 -4.820 18282 7619 1 13 . 1 1 43 43 TRP HA H 44 4.361 4.361 4.800 -0.439 18282 7620 1 13 . 1 1 43 43 TRP C C 44 176.982 176.982 176.126 0.856 18282 7621 1 13 . 1 1 43 43 TRP CA C 44 61.758 61.758 58.007 3.751 18282 7622 1 13 . 1 1 43 43 TRP CB C 44 27.771 27.771 28.643 -0.872 18282 7623 1 13 . 1 1 43 43 TRP H H 44 6.632 6.632 8.124 -1.492 18282 7624 1 13 . 1 1 44 44 PHE N N 45 123.019 123.019 118.530 4.489 18282 7625 1 13 . 1 1 44 44 PHE HA H 45 4.043 4.043 4.168 -0.125 18282 7626 1 13 . 1 1 44 44 PHE CA C 45 62.990 62.990 57.543 5.447 18282 7627 1 13 . 1 1 44 44 PHE CB C 45 35.109 35.109 37.520 -2.411 18282 7628 1 13 . 1 1 44 44 PHE H H 45 7.302 7.302 7.570 -0.268 18282 7629 1 13 . 1 1 45 45 PRO HA H 46 4.015 4.015 4.106 -0.091 18282 7630 1 13 . 1 1 45 45 PRO C C 46 176.462 176.462 176.682 -0.220 18282 7631 1 13 . 1 1 45 45 PRO CA C 46 64.582 64.582 63.861 0.721 18282 7632 1 13 . 1 1 45 45 PRO CB C 46 30.254 30.254 31.348 -1.094 18282 7633 1 13 . 1 1 46 46 GLN N N 47 114.404 114.404 118.036 -3.632 18282 7634 1 13 . 1 1 46 46 GLN HA H 47 3.941 3.941 3.740 0.201 18282 7635 1 13 . 1 1 46 46 GLN C C 47 177.234 177.234 176.515 0.719 18282 7636 1 13 . 1 1 46 46 GLN CA C 47 58.328 58.328 58.029 0.299 18282 7637 1 13 . 1 1 46 46 GLN CB C 47 28.471 28.471 27.601 0.870 18282 7638 1 13 . 1 1 46 46 GLN H H 47 6.544 6.544 7.633 -1.089 18282 7639 1 13 . 1 1 47 47 GLU N N 48 117.356 117.356 116.387 0.969 18282 7640 1 13 . 1 1 47 47 GLU HA H 48 4.085 4.085 4.265 -0.180 18282 7641 1 13 . 1 1 47 47 GLU C C 48 179.130 179.130 176.803 2.327 18282 7642 1 13 . 1 1 47 47 GLU CA C 48 58.215 58.215 56.017 2.198 18282 7643 1 13 . 1 1 47 47 GLU CB C 48 29.247 29.247 31.114 -1.867 18282 7644 1 13 . 1 1 47 47 GLU H H 48 7.710 7.710 7.136 0.574 18282 7645 1 13 . 1 1 48 48 GLY N N 49 105.456 105.456 108.576 -3.120 18282 7646 1 13 . 1 1 48 48 GLY C C 49 171.006 171.006 173.771 -2.765 18282 7647 1 13 . 1 1 48 48 GLY CA C 49 47.085 47.085 45.406 1.679 18282 7648 1 13 . 1 1 48 48 GLY H H 49 7.296 7.296 7.594 -0.298 18282 7649 1 13 . 1 1 49 49 THR N N 50 114.015 114.015 114.217 -0.202 18282 7650 1 13 . 1 1 49 49 THR HA H 50 4.248 4.248 4.601 -0.353 18282 7651 1 13 . 1 1 49 49 THR CA C 50 61.830 61.830 59.294 2.536 18282 7652 1 13 . 1 1 49 49 THR CB C 50 70.692 70.692 71.921 -1.229 18282 7653 1 13 . 1 1 49 49 THR H H 50 7.599 7.599 7.660 -0.061 18282 7654 1 13 . 1 1 50 50 ILE HA H 51 4.135 4.135 4.581 -0.446 18282 7655 1 13 . 1 1 50 50 ILE C C 51 172.608 172.608 174.934 -2.326 18282 7656 1 13 . 1 1 50 50 ILE CA C 51 59.075 59.075 60.858 -1.783 18282 7657 1 13 . 1 1 50 50 ILE CB C 51 35.416 35.416 39.152 -3.736 18282 7658 1 13 . 1 1 51 51 ASP N N 52 121.859 121.859 125.762 -3.903 18282 7659 1 13 . 1 1 51 51 ASP HA H 52 4.625 4.625 4.902 -0.277 18282 7660 1 13 . 1 1 51 51 ASP C C 52 175.770 175.770 175.366 0.404 18282 7661 1 13 . 1 1 51 51 ASP CA C 52 51.634 51.634 53.283 -1.649 18282 7662 1 13 . 1 1 51 51 ASP CB C 52 42.528 42.528 42.382 0.146 18282 7663 1 13 . 1 1 51 51 ASP H H 52 7.176 7.176 8.990 -1.814 18282 7664 1 13 . 1 1 52 52 ILE N N 53 119.549 119.549 122.151 -2.602 18282 7665 1 13 . 1 1 52 52 ILE HA H 53 4.150 4.150 4.402 -0.252 18282 7666 1 13 . 1 1 52 52 ILE C C 53 176.961 176.961 177.137 -0.176 18282 7667 1 13 . 1 1 52 52 ILE CA C 53 61.899 61.899 62.477 -0.578 18282 7668 1 13 . 1 1 52 52 ILE CB C 53 37.700 37.700 39.241 -1.541 18282 7669 1 13 . 1 1 52 52 ILE H H 53 8.777 8.777 8.693 0.084 18282 7670 1 13 . 1 1 53 53 LYS N N 54 123.515 123.515 120.604 2.911 18282 7671 1 13 . 1 1 53 53 LYS HA H 54 4.116 4.116 4.080 0.036 18282 7672 1 13 . 1 1 53 53 LYS C C 54 180.448 180.448 178.930 1.518 18282 7673 1 13 . 1 1 53 53 LYS CA C 54 59.934 59.934 59.634 0.300 18282 7674 1 13 . 1 1 53 53 LYS CB C 54 31.875 31.875 31.986 -0.111 18282 7675 1 13 . 1 1 53 53 LYS H H 54 8.106 8.106 8.441 -0.335 18282 7676 1 13 . 1 1 54 54 ARG N N 55 120.371 120.371 119.861 0.510 18282 7677 1 13 . 1 1 54 54 ARG HA H 55 4.422 4.422 3.998 0.424 18282 7678 1 13 . 1 1 54 54 ARG C C 55 179.159 179.159 178.232 0.927 18282 7679 1 13 . 1 1 54 54 ARG CA C 55 59.726 59.726 59.380 0.346 18282 7680 1 13 . 1 1 54 54 ARG CB C 55 37.368 37.368 29.853 7.515 18282 7681 1 13 . 1 1 54 54 ARG H H 55 9.183 9.183 8.486 0.697 18282 7682 1 13 . 1 1 55 55 TRP N N 56 120.755 120.755 120.217 0.538 18282 7683 1 13 . 1 1 55 55 TRP HA H 56 4.747 4.747 3.909 0.838 18282 7684 1 13 . 1 1 55 55 TRP C C 56 179.954 179.954 177.214 2.740 18282 7685 1 13 . 1 1 55 55 TRP CA C 56 60.105 60.105 59.529 0.576 18282 7686 1 13 . 1 1 55 55 TRP CB C 56 29.997 29.997 28.895 1.103 18282 7687 1 13 . 1 1 55 55 TRP H H 56 8.927 8.927 8.282 0.645 18282 7688 1 13 . 1 1 56 56 ARG N N 57 122.194 122.194 118.679 3.515 18282 7689 1 13 . 1 1 56 56 ARG HA H 57 4.406 4.406 3.409 0.997 18282 7690 1 13 . 1 1 56 56 ARG C C 57 178.101 178.101 178.715 -0.614 18282 7691 1 13 . 1 1 56 56 ARG CA C 57 60.198 60.198 59.373 0.825 18282 7692 1 13 . 1 1 56 56 ARG CB C 57 29.585 29.585 29.592 -0.007 18282 7693 1 13 . 1 1 56 56 ARG H H 57 9.220 9.220 7.275 1.945 18282 7694 1 13 . 1 1 57 57 ARG N N 58 120.674 120.674 119.311 1.363 18282 7695 1 13 . 1 1 57 57 ARG HA H 58 4.186 4.186 3.904 0.282 18282 7696 1 13 . 1 1 57 57 ARG C C 58 179.445 179.445 178.598 0.847 18282 7697 1 13 . 1 1 57 57 ARG CA C 58 59.832 59.832 59.605 0.227 18282 7698 1 13 . 1 1 57 57 ARG CB C 58 29.753 29.753 29.997 -0.244 18282 7699 1 13 . 1 1 57 57 ARG H H 58 7.605 7.605 7.338 0.267 18282 7700 1 13 . 1 1 58 58 VAL N N 59 121.833 121.833 118.728 3.105 18282 7701 1 13 . 1 1 58 58 VAL HA H 59 3.675 3.675 3.809 -0.134 18282 7702 1 13 . 1 1 58 58 VAL C C 59 176.565 176.565 177.311 -0.746 18282 7703 1 13 . 1 1 58 58 VAL CA C 59 65.920 65.920 65.750 0.170 18282 7704 1 13 . 1 1 58 58 VAL CB C 59 30.785 30.785 31.616 -0.831 18282 7705 1 13 . 1 1 58 58 VAL H H 59 7.819 7.819 7.390 0.429 18282 7706 1 13 . 1 1 59 59 GLY N N 60 106.521 106.521 106.712 -0.191 18282 7707 1 13 . 1 1 59 59 GLY C C 60 175.923 175.923 175.689 0.234 18282 7708 1 13 . 1 1 59 59 GLY CA C 60 45.982 45.982 47.118 -1.136 18282 7709 1 13 . 1 1 59 59 GLY H H 60 7.540 7.540 8.121 -0.581 18282 7710 1 13 . 1 1 60 60 ASP N N 61 123.066 123.066 122.407 0.659 18282 7711 1 13 . 1 1 60 60 ASP HA H 61 4.261 4.261 4.494 -0.233 18282 7712 1 13 . 1 1 60 60 ASP C C 61 178.537 178.537 178.737 -0.200 18282 7713 1 13 . 1 1 60 60 ASP CA C 61 56.907 56.907 56.731 0.176 18282 7714 1 13 . 1 1 60 60 ASP CB C 61 39.654 39.654 40.296 -0.642 18282 7715 1 13 . 1 1 60 60 ASP H H 61 8.197 8.197 8.367 -0.170 18282 7716 1 13 . 1 1 61 61 CYS N N 62 121.005 121.005 119.293 1.712 18282 7717 1 13 . 1 1 61 61 CYS C C 62 177.083 177.083 176.974 0.109 18282 7718 1 13 . 1 1 61 61 CYS CA C 62 62.380 62.380 63.201 -0.821 18282 7719 1 13 . 1 1 61 61 CYS CB C 62 26.011 26.011 26.414 -0.403 18282 7720 1 13 . 1 1 61 61 CYS H H 62 7.858 7.858 7.742 0.116 18282 7721 1 13 . 1 1 62 62 PHE N N 63 119.362 119.362 119.147 0.215 18282 7722 1 13 . 1 1 62 62 PHE HA H 63 4.117 4.117 4.180 -0.063 18282 7723 1 13 . 1 1 62 62 PHE C C 63 178.081 178.081 178.116 -0.035 18282 7724 1 13 . 1 1 62 62 PHE CA C 63 57.843 57.843 62.669 -4.825 18282 7725 1 13 . 1 1 62 62 PHE CB C 63 36.605 36.605 38.721 -2.116 18282 7726 1 13 . 1 1 62 62 PHE H H 63 8.530 8.530 8.280 0.250 18282 7727 1 13 . 1 1 63 63 GLN N N 64 118.829 118.829 119.444 -0.615 18282 7728 1 13 . 1 1 63 63 GLN HA H 64 4.199 4.199 4.102 0.097 18282 7729 1 13 . 1 1 63 63 GLN C C 64 177.645 177.645 178.226 -0.581 18282 7730 1 13 . 1 1 63 63 GLN CA C 64 59.094 59.094 59.259 -0.165 18282 7731 1 13 . 1 1 63 63 GLN CB C 64 28.337 28.337 28.497 -0.160 18282 7732 1 13 . 1 1 63 63 GLN H H 64 8.236 8.236 8.599 -0.363 18282 7733 1 13 . 1 1 64 64 ASP N N 65 120.234 120.234 120.832 -0.598 18282 7734 1 13 . 1 1 64 64 ASP HA H 65 4.481 4.481 4.298 0.183 18282 7735 1 13 . 1 1 64 64 ASP CA C 65 57.301 57.301 57.044 0.257 18282 7736 1 13 . 1 1 64 64 ASP CB C 65 40.773 40.773 40.339 0.434 18282 7737 1 13 . 1 1 64 64 ASP H H 65 8.257 8.257 8.044 0.213 18282 7738 1 13 . 1 1 65 65 TYR HA H 66 4.598 4.598 4.292 0.306 18282 7739 1 13 . 1 1 65 65 TYR C C 66 178.524 178.524 178.302 0.222 18282 7740 1 13 . 1 1 65 65 TYR CA C 66 60.355 60.355 61.020 -0.665 18282 7741 1 13 . 1 1 65 65 TYR CB C 66 37.796 37.796 38.219 -0.423 18282 7742 1 13 . 1 1 66 66 TYR N N 67 122.741 122.741 120.194 2.547 18282 7743 1 13 . 1 1 66 66 TYR HA H 67 4.044 4.044 3.919 0.125 18282 7744 1 13 . 1 1 66 66 TYR C C 67 178.220 178.220 176.967 1.253 18282 7745 1 13 . 1 1 66 66 TYR CA C 67 61.726 61.726 61.438 0.288 18282 7746 1 13 . 1 1 66 66 TYR CB C 67 38.932 38.932 38.684 0.248 18282 7747 1 13 . 1 1 66 66 TYR H H 67 9.083 9.083 8.495 0.588 18282 7748 1 13 . 1 1 67 67 ASN N N 68 118.530 118.530 116.227 2.303 18282 7749 1 13 . 1 1 67 67 ASN HA H 68 4.378 4.378 4.655 -0.277 18282 7750 1 13 . 1 1 67 67 ASN C C 68 176.633 176.633 177.982 -1.349 18282 7751 1 13 . 1 1 67 67 ASN CA C 68 55.293 55.293 55.557 -0.264 18282 7752 1 13 . 1 1 67 67 ASN CB C 68 37.860 37.860 38.923 -1.063 18282 7753 1 13 . 1 1 67 67 ASN H H 68 8.796 8.796 8.276 0.520 18282 7754 1 13 . 1 1 68 68 THR N N 69 114.328 114.328 112.160 2.168 18282 7755 1 13 . 1 1 68 68 THR HA H 69 3.872 3.872 4.182 -0.310 18282 7756 1 13 . 1 1 68 68 THR C C 69 174.832 174.832 176.339 -1.507 18282 7757 1 13 . 1 1 68 68 THR CA C 69 65.224 65.224 65.091 0.133 18282 7758 1 13 . 1 1 68 68 THR CB C 69 69.484 69.484 68.734 0.751 18282 7759 1 13 . 1 1 68 68 THR H H 69 7.960 7.960 7.792 0.168 18282 7760 1 13 . 1 1 69 69 PHE N N 70 118.107 118.107 120.833 -2.726 18282 7761 1 13 . 1 1 69 69 PHE HA H 70 4.626 4.626 4.302 0.324 18282 7762 1 13 . 1 1 69 69 PHE C C 70 176.495 176.495 176.007 0.488 18282 7763 1 13 . 1 1 69 69 PHE CA C 70 58.409 58.409 57.644 0.765 18282 7764 1 13 . 1 1 69 69 PHE CB C 70 40.742 40.742 38.994 1.748 18282 7765 1 13 . 1 1 69 69 PHE H H 70 8.591 8.591 7.939 0.652 18282 7766 1 13 . 1 1 70 70 GLY N N 71 109.309 109.309 106.833 2.476 18282 7767 1 13 . 1 1 70 70 GLY CA C 71 44.684 44.684 45.224 -0.540 18282 7768 1 13 . 1 1 70 70 GLY H H 71 7.893 7.893 7.610 0.283 18282 7769 1 13 . 1 1 71 71 PRO HA H 72 4.691 4.691 4.305 0.386 18282 7770 1 13 . 1 1 71 71 PRO C C 72 177.772 177.772 176.505 1.267 18282 7771 1 13 . 1 1 71 71 PRO CA C 72 63.458 63.458 63.343 0.115 18282 7772 1 13 . 1 1 71 71 PRO CB C 72 31.823 31.823 30.958 0.865 18282 7773 1 13 . 1 1 72 72 GLU N N 73 117.421 117.421 124.494 -7.073 18282 7774 1 13 . 1 1 72 72 GLU HA H 73 4.061 4.061 4.007 0.054 18282 7775 1 13 . 1 1 72 72 GLU C C 73 177.236 177.236 177.325 -0.089 18282 7776 1 13 . 1 1 72 72 GLU CA C 73 58.570 58.570 58.511 0.059 18282 7777 1 13 . 1 1 72 72 GLU CB C 73 28.853 28.853 30.044 -1.191 18282 7778 1 13 . 1 1 72 72 GLU H H 73 8.595 8.595 8.306 0.289 18282 7779 1 13 . 1 1 73 73 LYS N N 74 116.846 116.846 117.334 -0.488 18282 7780 1 13 . 1 1 73 73 LYS HA H 74 4.381 4.381 4.261 0.120 18282 7781 1 13 . 1 1 73 73 LYS C C 74 175.662 175.662 175.385 0.277 18282 7782 1 13 . 1 1 73 73 LYS CA C 74 55.263 55.263 56.482 -1.219 18282 7783 1 13 . 1 1 73 73 LYS CB C 74 33.891 33.891 32.525 1.366 18282 7784 1 13 . 1 1 73 73 LYS H H 74 7.493 7.493 8.018 -0.525 18282 7785 1 13 . 1 1 74 74 VAL N N 75 118.056 118.056 118.831 -0.775 18282 7786 1 13 . 1 1 74 74 VAL HA H 75 4.423 4.423 4.061 0.362 18282 7787 1 13 . 1 1 74 74 VAL CA C 75 58.438 58.438 62.130 -3.692 18282 7788 1 13 . 1 1 74 74 VAL CB C 75 33.763 33.763 31.328 2.435 18282 7789 1 13 . 1 1 74 74 VAL H H 75 7.342 7.342 7.780 -0.438 18282 7790 1 13 . 1 1 75 75 PRO HA H 76 4.585 4.585 4.532 0.053 18282 7791 1 13 . 1 1 75 75 PRO C C 76 178.543 178.543 177.626 0.917 18282 7792 1 13 . 1 1 75 75 PRO CA C 76 61.911 61.911 63.115 -1.204 18282 7793 1 13 . 1 1 75 75 PRO CB C 76 32.035 32.035 32.366 -0.331 18282 7794 1 13 . 1 1 76 76 VAL N N 77 119.825 119.825 126.415 -6.590 18282 7795 1 13 . 1 1 76 76 VAL HA H 77 3.921 3.921 3.777 0.144 18282 7796 1 13 . 1 1 76 76 VAL CA C 77 65.316 65.316 64.872 0.444 18282 7797 1 13 . 1 1 76 76 VAL CB C 77 31.316 31.316 31.326 -0.010 18282 7798 1 13 . 1 1 76 76 VAL H H 77 8.604 8.604 8.410 0.194 18282 7799 1 13 . 1 1 77 77 THR N N 78 109.390 109.390 112.769 -3.379 18282 7800 1 13 . 1 1 77 77 THR HA H 78 3.914 3.914 4.090 -0.176 18282 7801 1 13 . 1 1 77 77 THR C C 78 175.732 175.732 175.837 -0.105 18282 7802 1 13 . 1 1 77 77 THR CA C 78 62.803 62.803 65.362 -2.558 18282 7803 1 13 . 1 1 77 77 THR CB C 78 68.357 68.357 68.619 -0.262 18282 7804 1 13 . 1 1 77 77 THR H H 78 7.380 7.380 8.314 -0.934 18282 7805 1 13 . 1 1 78 78 ALA N N 79 123.661 123.661 123.764 -0.103 18282 7806 1 13 . 1 1 78 78 ALA HA H 79 4.001 4.001 4.306 -0.305 18282 7807 1 13 . 1 1 78 78 ALA C C 79 179.527 179.527 179.864 -0.337 18282 7808 1 13 . 1 1 78 78 ALA CA C 79 55.091 55.091 55.039 0.052 18282 7809 1 13 . 1 1 78 78 ALA CB C 79 17.561 17.561 18.619 -1.058 18282 7810 1 13 . 1 1 78 78 ALA H H 79 7.811 7.811 7.477 0.334 18282 7811 1 13 . 1 1 79 79 PHE N N 80 114.258 114.258 118.782 -4.524 18282 7812 1 13 . 1 1 79 79 PHE HA H 80 4.452 4.452 4.445 0.007 18282 7813 1 13 . 1 1 79 79 PHE C C 80 178.586 178.586 177.851 0.735 18282 7814 1 13 . 1 1 79 79 PHE CA C 80 61.656 61.656 59.787 1.869 18282 7815 1 13 . 1 1 79 79 PHE CB C 80 37.694 37.694 38.606 -0.912 18282 7816 1 13 . 1 1 79 79 PHE H H 80 7.306 7.306 9.105 -1.799 18282 7817 1 13 . 1 1 80 80 SER N N 81 116.865 116.865 116.400 0.465 18282 7818 1 13 . 1 1 80 80 SER CA C 81 61.824 61.824 62.037 -0.213 18282 7819 1 13 . 1 1 80 80 SER H H 81 7.733 7.733 8.058 -0.325 18282 7820 1 13 . 1 1 81 81 TYR N N 82 121.932 121.932 122.507 -0.575 18282 7821 1 13 . 1 1 81 81 TYR HA H 82 4.133 4.133 4.221 -0.088 18282 7822 1 13 . 1 1 81 81 TYR C C 82 177.701 177.701 177.688 0.013 18282 7823 1 13 . 1 1 81 81 TYR CA C 82 60.027 60.027 62.332 -2.305 18282 7824 1 13 . 1 1 81 81 TYR CB C 82 34.104 34.104 38.078 -3.974 18282 7825 1 13 . 1 1 81 81 TYR H H 82 8.151 8.151 7.446 0.705 18282 7826 1 13 . 1 1 82 82 TRP N N 83 120.817 120.817 120.339 0.478 18282 7827 1 13 . 1 1 82 82 TRP HA H 83 4.436 4.436 4.355 0.081 18282 7828 1 13 . 1 1 82 82 TRP CA C 83 63.975 63.975 61.325 2.650 18282 7829 1 13 . 1 1 82 82 TRP CB C 83 28.557 28.557 29.301 -0.744 18282 7830 1 13 . 1 1 82 82 TRP H H 83 8.645 8.645 8.179 0.466 18282 7831 1 13 . 1 1 83 83 ASN HA H 84 4.230 4.230 3.861 0.369 18282 7832 1 13 . 1 1 83 83 ASN C C 84 176.140 176.140 177.607 -1.467 18282 7833 1 13 . 1 1 83 83 ASN CA C 84 56.683 56.683 55.958 0.725 18282 7834 1 13 . 1 1 83 83 ASN CB C 84 39.116 39.116 37.632 1.484 18282 7835 1 13 . 1 1 84 84 LEU N N 85 121.884 121.884 121.885 -0.001 18282 7836 1 13 . 1 1 84 84 LEU HA H 85 4.054 4.054 4.107 -0.053 18282 7837 1 13 . 1 1 84 84 LEU C C 85 178.369 178.369 178.366 0.003 18282 7838 1 13 . 1 1 84 84 LEU CA C 85 58.228 58.228 57.734 0.494 18282 7839 1 13 . 1 1 84 84 LEU CB C 85 41.576 41.576 41.878 -0.302 18282 7840 1 13 . 1 1 84 84 LEU H H 85 7.751 7.751 7.708 0.043 18282 7841 1 13 . 1 1 85 85 ILE N N 86 116.825 116.825 119.142 -2.317 18282 7842 1 13 . 1 1 85 85 ILE HA H 86 3.462 3.462 3.654 -0.192 18282 7843 1 13 . 1 1 85 85 ILE C C 86 176.809 176.809 178.050 -1.241 18282 7844 1 13 . 1 1 85 85 ILE CA C 86 61.345 61.345 65.430 -4.085 18282 7845 1 13 . 1 1 85 85 ILE CB C 86 34.099 34.099 37.734 -3.635 18282 7846 1 13 . 1 1 85 85 ILE H H 86 7.952 7.952 8.599 -0.647 18282 7847 1 13 . 1 1 86 86 LYS N N 87 121.846 121.846 120.200 1.646 18282 7848 1 13 . 1 1 86 86 LYS HA H 87 3.231 3.231 3.875 -0.644 18282 7849 1 13 . 1 1 86 86 LYS C C 87 177.221 177.221 178.336 -1.115 18282 7850 1 13 . 1 1 86 86 LYS CA C 87 60.033 60.033 59.754 0.279 18282 7851 1 13 . 1 1 86 86 LYS CB C 87 31.005 31.005 31.784 -0.779 18282 7852 1 13 . 1 1 86 86 LYS H H 87 7.876 7.876 7.870 0.006 18282 7853 1 13 . 1 1 87 87 GLU N N 88 116.331 116.331 119.038 -2.707 18282 7854 1 13 . 1 1 87 87 GLU HA H 88 3.861 3.861 4.128 -0.267 18282 7855 1 13 . 1 1 87 87 GLU C C 88 178.810 178.810 178.810 0.000 18282 7856 1 13 . 1 1 87 87 GLU CA C 88 58.949 58.949 58.210 0.739 18282 7857 1 13 . 1 1 87 87 GLU CB C 88 29.221 29.221 28.887 0.334 18282 7858 1 13 . 1 1 87 87 GLU H H 88 7.679 7.679 7.527 0.152 18282 7859 1 13 . 1 1 88 88 LEU N N 89 118.090 118.090 121.387 -3.297 18282 7860 1 13 . 1 1 88 88 LEU HA H 89 3.909 3.909 4.063 -0.154 18282 7861 1 13 . 1 1 88 88 LEU CA C 89 57.688 57.688 57.974 -0.286 18282 7862 1 13 . 1 1 88 88 LEU CB C 89 41.436 41.436 41.427 0.009 18282 7863 1 13 . 1 1 88 88 LEU H H 89 7.441 7.441 8.237 -0.796 18282 7864 1 13 . 1 1 89 89 ILE HA H 90 3.344 3.344 3.779 -0.435 18282 7865 1 13 . 1 1 89 89 ILE CA C 90 65.082 65.082 64.393 0.689 18282 7866 1 13 . 1 1 89 89 ILE CB C 90 37.556 37.556 37.851 -0.295 18282 7867 1 13 . 1 1 90 90 ASP HA H 91 3.894 3.894 4.513 -0.619 18282 7868 1 13 . 1 1 90 90 ASP CA C 91 57.678 57.678 55.150 2.528 18282 7869 1 13 . 1 1 90 90 ASP CB C 91 40.546 40.546 40.689 -0.143 18282 7870 1 13 . 1 1 91 91 LYS N N 92 119.422 119.422 120.688 -1.266 18282 7871 1 13 . 1 1 91 91 LYS CA C 92 54.600 54.600 56.453 -1.853 18282 7872 1 13 . 1 1 91 91 LYS CB C 92 32.014 32.014 33.306 -1.292 18282 7873 1 13 . 1 1 91 91 LYS H H 92 7.903 7.903 7.431 0.472 18282 7874 1 13 . 1 1 92 92 LYS HA H 93 4.541 4.541 4.205 0.336 18282 7875 1 13 . 1 1 92 92 LYS CA C 93 55.202 55.202 58.158 -2.956 18282 7876 1 13 . 1 1 92 92 LYS CB C 93 31.758 31.758 32.285 -0.527 18282 7877 1 13 . 1 1 93 93 GLU N N 94 115.922 115.922 119.499 -3.577 18282 7878 1 13 . 1 1 93 93 GLU HA H 94 4.283 4.283 4.332 -0.049 18282 7879 1 13 . 1 1 93 93 GLU C C 94 175.613 175.613 175.370 0.243 18282 7880 1 13 . 1 1 93 93 GLU CA C 94 56.296 56.296 55.445 0.851 18282 7881 1 13 . 1 1 93 93 GLU CB C 94 29.415 29.415 28.213 1.202 18282 7882 1 13 . 1 1 93 93 GLU H H 94 8.140 8.140 8.303 -0.163 18282 7883 1 13 . 1 1 94 94 VAL N N 95 121.304 121.304 116.115 5.189 18282 7884 1 13 . 1 1 94 94 VAL HA H 95 3.773 3.773 4.300 -0.527 18282 7885 1 13 . 1 1 94 94 VAL CA C 95 62.257 62.257 60.450 1.807 18282 7886 1 13 . 1 1 94 94 VAL CB C 95 32.047 32.047 33.404 -1.357 18282 7887 1 13 . 1 1 94 94 VAL H H 95 8.003 8.003 7.533 0.470 18282 7888 1 13 . 1 1 95 95 ASN H H 96 7.518 7.518 8.393 -0.875 18282 7889 1 13 . 1 1 96 96 PRO HA H 97 4.319 4.319 4.123 0.196 18282 7890 1 13 . 1 1 96 96 PRO C C 97 179.088 179.088 177.853 1.235 18282 7891 1 13 . 1 1 96 96 PRO CA C 97 64.963 64.963 65.343 -0.380 18282 7892 1 13 . 1 1 96 96 PRO CB C 97 32.035 32.035 31.651 0.384 18282 7893 1 13 . 1 1 97 97 GLN N N 98 117.793 117.793 117.192 0.601 18282 7894 1 13 . 1 1 97 97 GLN HA H 98 3.952 3.952 4.293 -0.341 18282 7895 1 13 . 1 1 97 97 GLN C C 98 179.272 179.272 178.266 1.006 18282 7896 1 13 . 1 1 97 97 GLN CA C 98 55.691 55.691 58.656 -2.965 18282 7897 1 13 . 1 1 97 97 GLN CB C 98 28.378 28.378 27.809 0.569 18282 7898 1 13 . 1 1 97 97 GLN H H 98 8.351 8.351 8.667 -0.316 18282 7899 1 13 . 1 1 98 98 VAL N N 99 121.247 121.247 119.946 1.301 18282 7900 1 13 . 1 1 98 98 VAL HA H 99 3.440 3.440 3.828 -0.388 18282 7901 1 13 . 1 1 98 98 VAL CA C 99 67.776 67.776 65.518 2.258 18282 7902 1 13 . 1 1 98 98 VAL CB C 99 31.574 31.574 31.753 -0.179 18282 7903 1 13 . 1 1 98 98 VAL H H 99 7.901 7.901 8.211 -0.310 18282 7904 1 13 . 1 1 100 100 ALA HA H 101 4.218 4.218 4.081 0.137 18282 7905 1 13 . 1 1 100 100 ALA C C 101 179.599 179.599 179.299 0.300 18282 7906 1 13 . 1 1 100 100 ALA CA C 101 54.685 54.685 54.953 -0.268 18282 7907 1 13 . 1 1 100 100 ALA CB C 101 17.562 17.562 17.827 -0.265 18282 7908 1 13 . 1 1 101 101 ALA N N 102 119.533 119.533 121.252 -1.719 18282 7909 1 13 . 1 1 101 101 ALA HA H 102 4.005 4.005 4.314 -0.309 18282 7910 1 13 . 1 1 101 101 ALA C C 102 180.970 180.970 179.315 1.655 18282 7911 1 13 . 1 1 101 101 ALA CA C 102 55.013 55.013 54.277 0.736 18282 7912 1 13 . 1 1 101 101 ALA CB C 102 17.422 17.422 18.286 -0.864 18282 7913 1 13 . 1 1 101 101 ALA H H 102 7.559 7.559 7.659 -0.100 18282 7914 1 13 . 1 1 102 102 VAL N N 103 122.669 122.669 118.068 4.601 18282 7915 1 13 . 1 1 102 102 VAL HA H 103 4.087 4.087 3.676 0.411 18282 7916 1 13 . 1 1 102 102 VAL C C 103 175.666 175.666 176.807 -1.141 18282 7917 1 13 . 1 1 102 102 VAL CA C 103 61.850 61.850 64.992 -3.142 18282 7918 1 13 . 1 1 102 102 VAL CB C 103 32.576 32.576 30.855 1.721 18282 7919 1 13 . 1 1 102 102 VAL H H 103 8.851 8.851 8.033 0.818 18282 7920 1 13 . 1 1 103 103 ALA N N 104 128.048 128.048 120.267 7.781 18282 7921 1 13 . 1 1 103 103 ALA HA H 104 4.288 4.288 4.007 0.281 18282 7922 1 13 . 1 1 103 103 ALA C C 104 177.344 177.344 177.693 -0.349 18282 7923 1 13 . 1 1 103 103 ALA CA C 104 52.194 52.194 53.690 -1.496 18282 7924 1 13 . 1 1 103 103 ALA CB C 104 19.021 19.021 19.384 -0.363 18282 7925 1 13 . 1 1 103 103 ALA H H 104 8.374 8.374 7.765 0.609 18282 7926 1 13 . 1 1 104 104 GLN N N 105 120.285 120.285 115.923 4.362 18282 7927 1 13 . 1 1 104 104 GLN HA H 105 4.281 4.281 3.644 0.637 18282 7928 1 13 . 1 1 104 104 GLN CA C 105 55.656 55.656 57.352 -1.696 18282 7929 1 13 . 1 1 104 104 GLN CB C 105 32.581 32.581 27.198 5.383 18282 7930 1 13 . 1 1 104 104 GLN H H 105 8.374 8.374 7.770 0.604 18282 7931 1 13 . 1 1 105 105 THR HA H 106 4.293 4.293 4.284 0.009 18282 7932 1 13 . 1 1 105 105 THR C C 106 174.384 174.384 174.066 0.318 18282 7933 1 13 . 1 1 105 105 THR CA C 106 61.663 61.663 63.611 -1.948 18282 7934 1 13 . 1 1 105 105 THR CB C 106 69.458 69.458 69.190 0.268 18282 7935 1 13 . 1 1 106 106 GLU N N 107 122.744 122.744 123.300 -0.556 18282 7936 1 13 . 1 1 106 106 GLU HA H 107 4.241 4.241 4.498 -0.257 18282 7937 1 13 . 1 1 106 106 GLU C C 107 176.331 176.331 175.717 0.614 18282 7938 1 13 . 1 1 106 106 GLU CA C 107 56.621 56.621 55.166 1.455 18282 7939 1 13 . 1 1 106 106 GLU CB C 107 30.004 30.004 31.940 -1.936 18282 7940 1 13 . 1 1 106 106 GLU H H 107 8.415 8.415 8.318 0.097 18282 7941 1 13 . 1 1 107 107 GLU N N 108 121.993 121.993 121.333 0.660 18282 7942 1 13 . 1 1 107 107 GLU HA H 108 4.184 4.184 4.720 -0.536 18282 7943 1 13 . 1 1 107 107 GLU C C 108 176.404 176.404 177.405 -1.001 18282 7944 1 13 . 1 1 107 107 GLU CA C 108 56.721 56.721 55.198 1.523 18282 7945 1 13 . 1 1 107 107 GLU CB C 108 29.770 29.770 30.440 -0.670 18282 7946 1 13 . 1 1 107 107 GLU H H 108 8.334 8.334 8.733 -0.399 18282 7947 1 13 . 1 1 108 108 ILE N N 109 122.204 122.204 121.986 0.218 18282 7948 1 13 . 1 1 108 108 ILE HA H 109 4.052 4.052 3.788 0.265 18282 7949 1 13 . 1 1 108 108 ILE C C 109 176.261 176.261 176.945 -0.684 18282 7950 1 13 . 1 1 108 108 ILE CA C 109 61.245 61.245 63.455 -2.210 18282 7951 1 13 . 1 1 108 108 ILE CB C 109 38.157 38.157 37.716 0.441 18282 7952 1 13 . 1 1 108 108 ILE H H 109 8.068 8.068 8.978 -0.910 18282 7953 1 13 . 1 1 109 109 LEU N N 110 125.608 125.608 121.230 4.378 18282 7954 1 13 . 1 1 109 109 LEU HA H 110 4.295 4.295 3.945 0.350 18282 7955 1 13 . 1 1 109 109 LEU C C 110 177.275 177.275 178.877 -1.602 18282 7956 1 13 . 1 1 109 109 LEU CA C 110 55.103 55.103 57.739 -2.636 18282 7957 1 13 . 1 1 109 109 LEU CB C 110 41.929 41.929 41.468 0.461 18282 7958 1 13 . 1 1 109 109 LEU H H 110 8.187 8.187 7.626 0.561 18282 7959 1 13 . 1 1 110 110 LYS N N 111 122.154 122.154 119.240 2.914 18282 7960 1 13 . 1 1 110 110 LYS HA H 111 4.278 4.278 4.157 0.121 18282 7961 1 13 . 1 1 110 110 LYS C C 111 176.606 176.606 177.669 -1.063 18282 7962 1 13 . 1 1 110 110 LYS CA C 111 56.125 56.125 58.876 -2.751 18282 7963 1 13 . 1 1 110 110 LYS CB C 111 32.423 32.423 32.589 -0.166 18282 7964 1 13 . 1 1 110 110 LYS H H 111 8.206 8.206 8.328 -0.122 18282 7965 1 13 . 1 1 111 111 SER N N 112 116.381 116.381 112.754 3.627 18282 7966 1 13 . 1 1 111 111 SER HA H 112 4.395 4.395 4.196 0.199 18282 7967 1 13 . 1 1 111 111 SER C C 112 175.168 175.168 176.703 -1.535 18282 7968 1 13 . 1 1 111 111 SER CA C 112 58.456 58.456 60.500 -2.044 18282 7969 1 13 . 1 1 111 111 SER CB C 112 63.495 63.495 63.464 0.031 18282 7970 1 13 . 1 1 111 111 SER H H 112 8.217 8.217 7.580 0.637 18282 7971 1 13 . 1 1 112 112 ASN N N 113 119.799 119.799 120.185 -0.386 18282 7972 1 13 . 1 1 112 112 ASN HA H 113 4.699 4.699 4.601 0.098 18282 7973 1 13 . 1 1 112 112 ASN C C 113 175.552 175.552 175.613 -0.061 18282 7974 1 13 . 1 1 112 112 ASN CA C 113 53.592 53.592 54.951 -1.359 18282 7975 1 13 . 1 1 112 112 ASN CB C 113 38.772 38.772 39.381 -0.609 18282 7976 1 13 . 1 1 112 112 ASN H H 113 7.950 7.950 7.781 0.169 18282 7977 1 13 . 1 1 113 113 SER N N 114 115.430 115.430 112.078 3.352 18282 7978 1 13 . 1 1 113 113 SER HA H 114 4.382 4.382 4.648 -0.266 18282 7979 1 13 . 1 1 113 113 SER C C 114 174.558 174.558 173.197 1.361 18282 7980 1 13 . 1 1 113 113 SER CA C 114 58.919 58.919 58.259 0.660 18282 7981 1 13 . 1 1 113 113 SER CB C 114 63.494 63.494 64.015 -0.521 18282 7982 1 13 . 1 1 113 113 SER H H 114 7.970 7.970 7.971 -0.001 18282 7983 1 13 . 1 1 114 114 GLN N N 115 121.973 121.973 127.549 -5.576 18282 7984 1 13 . 1 1 114 114 GLN HA H 115 4.347 4.347 4.268 0.079 18282 7985 1 13 . 1 1 114 114 GLN C C 115 176.246 176.246 176.397 -0.151 18282 7986 1 13 . 1 1 114 114 GLN CA C 115 56.036 56.036 56.708 -0.672 18282 7987 1 13 . 1 1 114 114 GLN CB C 115 29.196 29.196 28.081 1.115 18282 7988 1 13 . 1 1 114 114 GLN H H 115 8.382 8.382 8.711 -0.329 18282 7989 1 13 . 1 1 115 115 THR N N 116 114.701 114.701 115.641 -0.940 18282 7990 1 13 . 1 1 115 115 THR HA H 116 4.238 4.238 3.954 0.284 18282 7991 1 13 . 1 1 115 115 THR C C 116 174.276 174.276 176.582 -2.306 18282 7992 1 13 . 1 1 115 115 THR CA C 116 62.221 62.221 67.007 -4.786 18282 7993 1 13 . 1 1 115 115 THR CB C 116 69.405 69.405 68.442 0.963 18282 7994 1 13 . 1 1 115 115 THR H H 116 8.070 8.070 8.037 0.033 18282 7995 1 13 . 1 1 116 116 ASP N N 117 122.566 122.566 122.283 0.283 18282 7996 1 13 . 1 1 116 116 ASP HA H 117 4.575 4.575 4.433 0.142 18282 7997 1 13 . 1 1 116 116 ASP C C 117 176.241 176.241 176.623 -0.382 18282 7998 1 13 . 1 1 116 116 ASP CA C 117 54.286 54.286 56.991 -2.705 18282 7999 1 13 . 1 1 116 116 ASP CB C 117 40.609 40.609 40.560 0.049 18282 8000 1 13 . 1 1 116 116 ASP H H 117 8.288 8.288 8.223 0.066 18282 8001 1 13 . 1 1 117 117 LEU N N 118 122.118 122.118 118.997 3.121 18282 8002 1 13 . 1 1 117 117 LEU HA H 118 4.163 4.163 4.446 -0.283 18282 8003 1 13 . 1 1 117 117 LEU C C 118 177.637 177.637 175.728 1.909 18282 8004 1 13 . 1 1 117 117 LEU CA C 118 55.475 55.475 53.804 1.671 18282 8005 1 13 . 1 1 117 117 LEU CB C 118 41.964 41.964 42.025 -0.061 18282 8006 1 13 . 1 1 117 117 LEU H H 118 8.088 8.088 7.618 0.470 18282 8007 1 13 . 1 1 118 118 GLU N N 119 119.527 119.527 120.734 -1.207 18282 8008 1 13 . 1 1 118 118 GLU HA H 119 4.086 4.086 3.946 0.140 18282 8009 1 13 . 1 1 118 118 GLU C C 119 176.265 176.265 175.049 1.216 18282 8010 1 13 . 1 1 118 118 GLU CA C 119 56.569 56.569 57.365 -0.796 18282 8011 1 13 . 1 1 118 118 GLU CB C 119 29.486 29.486 29.885 -0.399 18282 8012 1 13 . 1 1 118 118 GLU H H 119 8.134 8.134 7.082 1.052 18282 8013 1 13 . 1 1 119 119 HIS N N 120 118.076 118.076 124.691 -6.615 18282 8014 1 13 . 1 1 119 119 HIS HA H 120 4.485 4.485 4.801 -0.316 18282 8015 1 13 . 1 1 119 119 HIS CA C 120 55.422 55.422 55.054 0.368 18282 8016 1 13 . 1 1 119 119 HIS CB C 120 28.628 28.628 31.392 -2.764 18282 8017 1 13 . 1 1 119 119 HIS H H 120 8.134 8.134 8.322 -0.188 18282 8018 1 13 . 1 1 120 120 HIS N N 121 119.323 119.323 121.291 -1.968 18282 8019 1 13 . 1 1 120 120 HIS HA H 121 4.242 4.242 4.763 -0.521 18282 8020 1 13 . 1 1 120 120 HIS CA C 121 56.732 56.732 55.133 1.599 18282 8021 1 13 . 1 1 120 120 HIS H H 121 8.372 8.372 8.765 -0.393 18282 8022 1 13 . 1 1 121 121 HIS N N 122 126.032 126.032 120.463 5.569 18282 8023 1 13 . 1 1 121 121 HIS CA C 122 57.036 57.036 58.712 -1.676 18282 8024 1 13 . 1 1 121 121 HIS CB C 122 29.923 29.923 30.422 -0.499 18282 8025 1 13 . 1 1 121 121 HIS H H 122 7.900 7.900 8.651 -0.751 18282 8026 1 13 . 1 1 122 122 HIS N N 123 121.012 121.012 117.606 3.406 18282 8027 1 13 . 1 1 122 122 HIS HA H 123 4.595 4.595 4.598 -0.003 18282 8028 1 13 . 1 1 122 122 HIS CA C 123 55.372 55.372 55.122 0.250 18282 8029 1 13 . 1 1 122 122 HIS CB C 123 29.165 29.165 30.168 -1.003 18282 8030 1 13 . 1 1 122 122 HIS H H 123 8.595 8.595 8.001 0.594 18282 8031 1 13 . 1 1 123 123 HIS N N 124 120.343 120.343 122.813 -2.470 18282 8032 1 13 . 1 1 123 123 HIS CA C 124 57.380 57.380 54.918 2.462 18282 8033 1 13 . 1 1 123 123 HIS CB C 124 35.491 35.491 30.712 4.779 18282 8034 1 13 . 1 1 123 123 HIS H H 124 8.558 8.558 8.248 0.310 18282 8035 1 14 . 1 1 2 2 GLN N N 3 122.228 122.228 120.591 1.637 18282 8036 1 14 . 1 1 2 2 GLN HA H 3 3.896 3.896 4.171 -0.275 18282 8037 1 14 . 1 1 2 2 GLN C C 3 178.672 178.672 177.838 0.834 18282 8038 1 14 . 1 1 2 2 GLN CA C 3 58.794 58.794 58.157 0.637 18282 8039 1 14 . 1 1 2 2 GLN H H 3 9.310 9.310 8.506 0.804 18282 8040 1 14 . 1 1 3 3 GLU N N 4 119.529 119.529 119.628 -0.099 18282 8041 1 14 . 1 1 3 3 GLU C C 4 175.504 175.504 178.735 -3.231 18282 8042 1 14 . 1 1 3 3 GLU CA C 4 59.561 59.561 58.642 0.918 18282 8043 1 14 . 1 1 3 3 GLU CB C 4 28.876 28.876 28.954 -0.078 18282 8044 1 14 . 1 1 3 3 GLU H H 4 8.489 8.489 8.817 -0.328 18282 8045 1 14 . 1 1 4 4 LEU N N 5 114.832 114.832 121.813 -6.981 18282 8046 1 14 . 1 1 4 4 LEU HA H 5 3.716 3.716 3.973 -0.257 18282 8047 1 14 . 1 1 4 4 LEU C C 5 178.276 178.276 177.873 0.403 18282 8048 1 14 . 1 1 4 4 LEU CA C 5 57.813 57.813 57.939 -0.126 18282 8049 1 14 . 1 1 4 4 LEU CB C 5 40.844 40.844 41.817 -0.973 18282 8050 1 14 . 1 1 4 4 LEU H H 5 8.210 8.210 7.785 0.425 18282 8051 1 14 . 1 1 5 5 SER N N 6 109.726 109.726 113.955 -4.229 18282 8052 1 14 . 1 1 5 5 SER HA H 6 4.127 4.127 4.047 0.080 18282 8053 1 14 . 1 1 5 5 SER C C 6 178.508 178.508 177.104 1.404 18282 8054 1 14 . 1 1 5 5 SER CA C 6 60.401 60.401 61.635 -1.234 18282 8055 1 14 . 1 1 5 5 SER CB C 6 63.535 63.535 62.253 1.282 18282 8056 1 14 . 1 1 5 5 SER H H 6 8.247 8.247 8.021 0.226 18282 8057 1 14 . 1 1 6 6 GLN N N 7 117.203 117.203 121.298 -4.095 18282 8058 1 14 . 1 1 6 6 GLN HA H 7 4.026 4.026 4.106 -0.080 18282 8059 1 14 . 1 1 6 6 GLN CA C 7 58.474 58.474 58.296 0.178 18282 8060 1 14 . 1 1 6 6 GLN H H 7 8.719 8.719 8.691 0.028 18282 8061 1 14 . 1 1 7 7 HIS C C 8 178.622 178.622 177.636 0.986 18282 8062 1 14 . 1 1 8 8 GLU N N 9 120.357 120.357 118.816 1.541 18282 8063 1 14 . 1 1 8 8 GLU HA H 9 3.969 3.969 3.936 0.033 18282 8064 1 14 . 1 1 8 8 GLU C C 9 178.408 178.408 179.233 -0.825 18282 8065 1 14 . 1 1 8 8 GLU CA C 9 58.244 58.244 59.693 -1.449 18282 8066 1 14 . 1 1 8 8 GLU CB C 9 29.013 29.013 29.475 -0.462 18282 8067 1 14 . 1 1 8 8 GLU H H 9 7.701 7.701 7.928 -0.227 18282 8068 1 14 . 1 1 9 9 ARG N N 10 118.791 118.791 118.899 -0.108 18282 8069 1 14 . 1 1 9 9 ARG HA H 10 4.124 4.124 4.042 0.082 18282 8070 1 14 . 1 1 9 9 ARG C C 10 178.599 178.599 178.531 0.068 18282 8071 1 14 . 1 1 9 9 ARG CA C 10 58.633 58.633 59.163 -0.530 18282 8072 1 14 . 1 1 9 9 ARG CB C 10 29.005 29.005 30.281 -1.276 18282 8073 1 14 . 1 1 9 9 ARG H H 10 8.910 8.910 7.668 1.242 18282 8074 1 14 . 1 1 10 10 TYR N N 11 121.239 121.239 120.226 1.013 18282 8075 1 14 . 1 1 10 10 TYR HA H 11 4.186 4.186 4.110 0.076 18282 8076 1 14 . 1 1 10 10 TYR C C 11 176.644 176.644 177.610 -0.966 18282 8077 1 14 . 1 1 10 10 TYR CA C 11 61.311 61.311 61.775 -0.464 18282 8078 1 14 . 1 1 10 10 TYR CB C 11 37.956 37.956 38.291 -0.335 18282 8079 1 14 . 1 1 10 10 TYR H H 11 7.562 7.562 8.638 -1.076 18282 8080 1 14 . 1 1 11 11 VAL N N 12 119.249 119.249 118.761 0.488 18282 8081 1 14 . 1 1 11 11 VAL HA H 12 3.119 3.119 3.631 -0.512 18282 8082 1 14 . 1 1 11 11 VAL C C 12 177.275 177.275 177.759 -0.484 18282 8083 1 14 . 1 1 11 11 VAL CA C 12 66.925 66.925 65.780 1.145 18282 8084 1 14 . 1 1 11 11 VAL CB C 12 30.981 30.981 31.831 -0.850 18282 8085 1 14 . 1 1 11 11 VAL H H 12 8.087 8.087 7.356 0.731 18282 8086 1 14 . 1 1 12 12 GLU N N 13 119.569 119.569 117.889 1.680 18282 8087 1 14 . 1 1 12 12 GLU HA H 13 4.213 4.213 3.984 0.229 18282 8088 1 14 . 1 1 12 12 GLU C C 13 175.207 175.207 178.810 -3.603 18282 8089 1 14 . 1 1 12 12 GLU CA C 13 55.971 55.971 58.843 -2.872 18282 8090 1 14 . 1 1 12 12 GLU CB C 13 28.439 28.439 29.538 -1.099 18282 8091 1 14 . 1 1 12 12 GLU H H 13 8.312 8.312 7.572 0.740 18282 8092 1 14 . 1 1 13 13 GLN N N 14 119.375 119.375 120.093 -0.718 18282 8093 1 14 . 1 1 13 13 GLN HA H 14 3.657 3.657 4.072 -0.415 18282 8094 1 14 . 1 1 13 13 GLN CA C 14 54.294 54.294 58.172 -3.878 18282 8095 1 14 . 1 1 13 13 GLN CB C 14 29.681 29.681 28.556 1.125 18282 8096 1 14 . 1 1 13 13 GLN H H 14 7.690 7.690 8.752 -1.062 18282 8097 1 14 . 1 1 14 14 LEU HA H 15 3.865 3.865 3.776 0.089 18282 8098 1 14 . 1 1 14 14 LEU CA C 15 58.177 58.177 57.330 0.848 18282 8099 1 14 . 1 1 14 14 LEU CB C 15 40.693 40.693 41.017 -0.323 18282 8100 1 14 . 1 1 15 15 LYS HA H 16 3.737 3.737 3.911 -0.174 18282 8101 1 14 . 1 1 15 15 LYS C C 16 177.817 177.817 179.370 -1.553 18282 8102 1 14 . 1 1 15 15 LYS CA C 16 60.352 60.352 59.507 0.845 18282 8103 1 14 . 1 1 15 15 LYS CB C 16 32.106 32.106 32.051 0.055 18282 8104 1 14 . 1 1 16 16 GLN N N 17 117.498 117.498 118.819 -1.321 18282 8105 1 14 . 1 1 16 16 GLN HA H 17 3.864 3.864 4.027 -0.163 18282 8106 1 14 . 1 1 16 16 GLN CA C 17 58.307 58.307 58.421 -0.114 18282 8107 1 14 . 1 1 16 16 GLN CB C 17 27.788 27.788 28.642 -0.854 18282 8108 1 14 . 1 1 16 16 GLN H H 17 7.862 7.862 7.444 0.418 18282 8109 1 14 . 1 1 17 17 ALA HA H 18 3.793 3.793 4.010 -0.217 18282 8110 1 14 . 1 1 17 17 ALA C C 18 179.147 179.147 179.339 -0.192 18282 8111 1 14 . 1 1 17 17 ALA CA C 18 54.792 54.792 54.666 0.126 18282 8112 1 14 . 1 1 17 17 ALA CB C 18 17.693 17.693 18.176 -0.483 18282 8113 1 14 . 1 1 18 18 LEU N N 19 117.278 117.278 117.756 -0.478 18282 8114 1 14 . 1 1 18 18 LEU HA H 19 3.784 3.784 3.909 -0.125 18282 8115 1 14 . 1 1 18 18 LEU C C 19 174.935 174.935 179.095 -4.160 18282 8116 1 14 . 1 1 18 18 LEU CA C 19 57.731 57.731 56.696 1.035 18282 8117 1 14 . 1 1 18 18 LEU CB C 19 40.703 40.703 41.776 -1.073 18282 8118 1 14 . 1 1 18 18 LEU H H 19 8.168 8.168 7.392 0.776 18282 8119 1 14 . 1 1 19 19 LYS N N 20 118.025 118.025 120.167 -2.142 18282 8120 1 14 . 1 1 19 19 LYS C C 20 177.982 177.982 179.422 -1.440 18282 8121 1 14 . 1 1 19 19 LYS CA C 20 60.439 60.439 59.528 0.911 18282 8122 1 14 . 1 1 19 19 LYS H H 20 8.345 8.345 7.659 0.686 18282 8123 1 14 . 1 1 20 20 THR N N 21 116.345 116.345 113.833 2.512 18282 8124 1 14 . 1 1 20 20 THR HA H 21 4.126 4.126 4.057 0.069 18282 8125 1 14 . 1 1 20 20 THR C C 21 175.469 175.469 176.149 -0.680 18282 8126 1 14 . 1 1 20 20 THR CA C 21 64.643 64.643 64.757 -0.115 18282 8127 1 14 . 1 1 20 20 THR CB C 21 68.652 68.652 68.700 -0.048 18282 8128 1 14 . 1 1 20 20 THR H H 21 7.896 7.896 7.737 0.159 18282 8129 1 14 . 1 1 21 21 ARG N N 22 118.792 118.792 119.123 -0.331 18282 8130 1 14 . 1 1 21 21 ARG HA H 22 4.375 4.375 4.178 0.197 18282 8131 1 14 . 1 1 21 21 ARG C C 22 176.364 176.364 177.023 -0.659 18282 8132 1 14 . 1 1 21 21 ARG CA C 22 54.157 54.157 55.690 -1.533 18282 8133 1 14 . 1 1 21 21 ARG CB C 22 29.453 29.453 29.985 -0.532 18282 8134 1 14 . 1 1 21 21 ARG H H 22 7.317 7.317 7.906 -0.589 18282 8135 1 14 . 1 1 22 22 GLY N N 23 108.428 108.428 106.247 2.181 18282 8136 1 14 . 1 1 22 22 GLY C C 23 174.154 174.154 173.868 0.286 18282 8137 1 14 . 1 1 22 22 GLY CA C 23 45.953 45.953 44.919 1.034 18282 8138 1 14 . 1 1 22 22 GLY H H 23 7.881 7.881 8.067 -0.186 18282 8139 1 14 . 1 1 23 23 VAL N N 24 117.319 117.319 119.720 -2.401 18282 8140 1 14 . 1 1 23 23 VAL HA H 24 4.036 4.036 4.377 -0.341 18282 8141 1 14 . 1 1 23 23 VAL C C 24 175.601 175.601 175.495 0.106 18282 8142 1 14 . 1 1 23 23 VAL CA C 24 61.635 61.635 60.472 1.163 18282 8143 1 14 . 1 1 23 23 VAL CB C 24 32.589 32.589 33.953 -1.364 18282 8144 1 14 . 1 1 23 23 VAL H H 24 7.431 7.431 7.424 0.007 18282 8145 1 14 . 1 1 24 24 LYS N N 25 127.424 127.424 122.965 4.459 18282 8146 1 14 . 1 1 24 24 LYS HA H 25 4.336 4.336 4.742 -0.406 18282 8147 1 14 . 1 1 24 24 LYS C C 25 175.550 175.550 174.860 0.690 18282 8148 1 14 . 1 1 24 24 LYS CA C 25 55.811 55.811 55.475 0.336 18282 8149 1 14 . 1 1 24 24 LYS CB C 25 32.269 32.269 33.928 -1.659 18282 8150 1 14 . 1 1 24 24 LYS H H 25 8.665 8.665 8.355 0.310 18282 8151 1 14 . 1 1 25 25 VAL N N 26 120.764 120.764 119.489 1.275 18282 8152 1 14 . 1 1 25 25 VAL HA H 26 4.140 4.140 4.502 -0.362 18282 8153 1 14 . 1 1 25 25 VAL C C 26 174.206 174.206 174.967 -0.761 18282 8154 1 14 . 1 1 25 25 VAL CA C 26 60.316 60.316 60.021 0.295 18282 8155 1 14 . 1 1 25 25 VAL CB C 26 33.920 33.920 33.526 0.394 18282 8156 1 14 . 1 1 25 25 VAL H H 26 7.545 7.545 8.294 -0.749 18282 8157 1 14 . 1 1 26 26 LYS N N 27 125.707 125.707 125.013 0.694 18282 8158 1 14 . 1 1 26 26 LYS HA H 27 4.115 4.115 4.505 -0.390 18282 8159 1 14 . 1 1 26 26 LYS CA C 27 55.211 55.211 54.218 0.994 18282 8160 1 14 . 1 1 26 26 LYS CB C 27 31.930 31.930 35.686 -3.756 18282 8161 1 14 . 1 1 26 26 LYS H H 27 8.608 8.608 7.917 0.691 18282 8162 1 14 . 1 1 27 27 TYR CA C 28 56.418 56.418 61.678 -5.260 18282 8163 1 14 . 1 1 27 27 TYR CB C 28 37.036 37.036 37.404 -0.368 18282 8164 1 14 . 1 1 28 28 ALA N N 29 120.712 120.712 121.286 -0.574 18282 8165 1 14 . 1 1 28 28 ALA HA H 29 3.712 3.712 4.053 -0.341 18282 8166 1 14 . 1 1 28 28 ALA C C 29 180.210 180.210 179.682 0.528 18282 8167 1 14 . 1 1 28 28 ALA CA C 29 54.911 54.911 54.697 0.214 18282 8168 1 14 . 1 1 28 28 ALA CB C 29 18.034 18.034 17.519 0.515 18282 8169 1 14 . 1 1 28 28 ALA H H 29 8.326 8.326 8.489 -0.163 18282 8170 1 14 . 1 1 29 29 ASP N N 30 117.166 117.166 119.714 -2.548 18282 8171 1 14 . 1 1 29 29 ASP HA H 30 4.379 4.379 4.437 -0.058 18282 8172 1 14 . 1 1 29 29 ASP C C 30 178.427 178.427 178.664 -0.237 18282 8173 1 14 . 1 1 29 29 ASP CA C 30 56.459 56.459 57.496 -1.037 18282 8174 1 14 . 1 1 29 29 ASP CB C 30 39.962 39.962 40.237 -0.275 18282 8175 1 14 . 1 1 29 29 ASP H H 30 6.913 6.913 8.642 -1.729 18282 8176 1 14 . 1 1 30 30 LEU N N 31 123.105 123.105 120.125 2.980 18282 8177 1 14 . 1 1 30 30 LEU HA H 31 3.491 3.491 4.290 -0.799 18282 8178 1 14 . 1 1 30 30 LEU CA C 31 56.841 56.841 58.183 -1.342 18282 8179 1 14 . 1 1 30 30 LEU CB C 31 40.888 40.888 42.097 -1.209 18282 8180 1 14 . 1 1 30 30 LEU H H 31 7.543 7.543 7.680 -0.137 18282 8181 1 14 . 1 1 31 31 LEU HA H 32 3.611 3.611 3.961 -0.350 18282 8182 1 14 . 1 1 31 31 LEU C C 32 179.120 179.120 179.462 -0.342 18282 8183 1 14 . 1 1 31 31 LEU CA C 32 58.103 58.103 58.157 -0.054 18282 8184 1 14 . 1 1 31 31 LEU CB C 32 40.594 40.594 41.247 -0.653 18282 8185 1 14 . 1 1 32 32 LYS N N 33 118.074 118.074 119.297 -1.223 18282 8186 1 14 . 1 1 32 32 LYS HA H 33 4.202 4.202 4.210 -0.008 18282 8187 1 14 . 1 1 32 32 LYS C C 33 180.044 180.044 179.096 0.948 18282 8188 1 14 . 1 1 32 32 LYS CA C 33 59.081 59.081 59.174 -0.093 18282 8189 1 14 . 1 1 32 32 LYS CB C 33 31.735 31.735 32.884 -1.149 18282 8190 1 14 . 1 1 32 32 LYS H H 33 7.189 7.189 8.095 -0.906 18282 8191 1 14 . 1 1 33 33 PHE N N 34 122.977 122.977 120.948 2.029 18282 8192 1 14 . 1 1 33 33 PHE CA C 34 60.402 60.402 61.816 -1.414 18282 8193 1 14 . 1 1 33 33 PHE H H 34 7.768 7.768 8.936 -1.168 18282 8194 1 14 . 1 1 34 34 PHE HA H 35 3.800 3.800 4.029 -0.229 18282 8195 1 14 . 1 1 34 34 PHE C C 35 176.355 176.355 177.258 -0.903 18282 8196 1 14 . 1 1 34 34 PHE CA C 35 61.813 61.813 62.229 -0.416 18282 8197 1 14 . 1 1 34 34 PHE CB C 35 37.164 37.164 39.178 -2.014 18282 8198 1 14 . 1 1 35 35 ASP N N 36 119.969 119.969 119.630 0.339 18282 8199 1 14 . 1 1 35 35 ASP C C 36 177.087 177.087 178.691 -1.604 18282 8200 1 14 . 1 1 35 35 ASP CA C 36 58.278 58.278 56.488 1.790 18282 8201 1 14 . 1 1 35 35 ASP CB C 36 39.578 39.578 40.789 -1.211 18282 8202 1 14 . 1 1 35 35 ASP H H 36 8.338 8.338 7.934 0.404 18282 8203 1 14 . 1 1 36 36 PHE N N 37 122.901 122.901 120.945 1.956 18282 8204 1 14 . 1 1 36 36 PHE C C 37 178.788 178.788 176.988 1.800 18282 8205 1 14 . 1 1 36 36 PHE CA C 37 61.416 61.416 60.233 1.183 18282 8206 1 14 . 1 1 36 36 PHE CB C 37 38.369 38.369 39.015 -0.646 18282 8207 1 14 . 1 1 36 36 PHE H H 37 7.860 7.860 8.338 -0.478 18282 8208 1 14 . 1 1 37 37 VAL N N 38 122.329 122.329 114.095 8.234 18282 8209 1 14 . 1 1 37 37 VAL HA H 38 3.100 3.100 3.075 0.025 18282 8210 1 14 . 1 1 37 37 VAL C C 38 176.147 176.147 177.371 -1.224 18282 8211 1 14 . 1 1 37 37 VAL CA C 38 67.153 67.153 64.868 2.285 18282 8212 1 14 . 1 1 37 37 VAL CB C 38 30.625 30.625 31.322 -0.697 18282 8213 1 14 . 1 1 37 37 VAL H H 38 8.451 8.451 7.672 0.779 18282 8214 1 14 . 1 1 38 38 LYS N N 39 118.837 118.837 119.698 -0.861 18282 8215 1 14 . 1 1 38 38 LYS HA H 39 3.473 3.473 3.723 -0.250 18282 8216 1 14 . 1 1 38 38 LYS C C 39 176.361 176.361 177.757 -1.396 18282 8217 1 14 . 1 1 38 38 LYS CA C 39 59.519 59.519 59.005 0.514 18282 8218 1 14 . 1 1 38 38 LYS CB C 39 31.628 31.628 31.950 -0.322 18282 8219 1 14 . 1 1 38 38 LYS H H 39 7.581 7.581 7.574 0.007 18282 8220 1 14 . 1 1 39 39 ASP N N 40 116.210 116.210 117.755 -1.545 18282 8221 1 14 . 1 1 39 39 ASP HA H 40 4.261 4.261 4.401 -0.140 18282 8222 1 14 . 1 1 39 39 ASP CA C 40 56.580 56.580 56.689 -0.109 18282 8223 1 14 . 1 1 39 39 ASP CB C 40 40.977 40.977 40.860 0.117 18282 8224 1 14 . 1 1 39 39 ASP H H 40 8.052 8.052 7.742 0.310 18282 8225 1 14 . 1 1 40 40 THR N N 41 109.215 109.215 108.678 0.537 18282 8226 1 14 . 1 1 40 40 THR C C 41 174.559 174.559 174.696 -0.137 18282 8227 1 14 . 1 1 40 40 THR H H 41 7.232 7.232 7.701 -0.469 18282 8228 1 14 . 1 1 41 41 CYS N N 42 117.927 117.927 120.834 -2.907 18282 8229 1 14 . 1 1 41 41 CYS CA C 42 55.865 55.865 58.706 -2.841 18282 8230 1 14 . 1 1 41 41 CYS CB C 42 28.500 28.500 25.158 3.342 18282 8231 1 14 . 1 1 41 41 CYS H H 42 7.197 7.197 8.420 -1.223 18282 8232 1 14 . 1 1 42 42 PRO HA H 43 3.987 3.987 3.817 0.170 18282 8233 1 14 . 1 1 42 42 PRO C C 43 176.688 176.688 176.486 0.202 18282 8234 1 14 . 1 1 42 42 PRO CA C 43 65.206 65.206 64.644 0.562 18282 8235 1 14 . 1 1 42 42 PRO CB C 43 30.767 30.767 31.376 -0.609 18282 8236 1 14 . 1 1 43 43 TRP N N 44 113.805 113.805 115.876 -2.071 18282 8237 1 14 . 1 1 43 43 TRP HA H 44 4.361 4.361 4.472 -0.111 18282 8238 1 14 . 1 1 43 43 TRP C C 44 176.982 176.982 175.101 1.881 18282 8239 1 14 . 1 1 43 43 TRP CA C 44 61.758 61.758 57.367 4.391 18282 8240 1 14 . 1 1 43 43 TRP CB C 44 27.771 27.771 28.636 -0.865 18282 8241 1 14 . 1 1 43 43 TRP H H 44 6.632 6.632 7.642 -1.010 18282 8242 1 14 . 1 1 44 44 PHE N N 45 123.019 123.019 114.225 8.794 18282 8243 1 14 . 1 1 44 44 PHE HA H 45 4.043 4.043 4.110 -0.067 18282 8244 1 14 . 1 1 44 44 PHE CA C 45 62.990 62.990 57.650 5.340 18282 8245 1 14 . 1 1 44 44 PHE CB C 45 35.109 35.109 36.153 -1.044 18282 8246 1 14 . 1 1 44 44 PHE H H 45 7.302 7.302 6.987 0.315 18282 8247 1 14 . 1 1 45 45 PRO HA H 46 4.015 4.015 4.059 -0.044 18282 8248 1 14 . 1 1 45 45 PRO C C 46 176.462 176.462 176.953 -0.491 18282 8249 1 14 . 1 1 45 45 PRO CA C 46 64.582 64.582 64.221 0.361 18282 8250 1 14 . 1 1 45 45 PRO CB C 46 30.254 30.254 31.198 -0.944 18282 8251 1 14 . 1 1 46 46 GLN N N 47 114.404 114.404 117.431 -3.027 18282 8252 1 14 . 1 1 46 46 GLN HA H 47 3.941 3.941 4.082 -0.141 18282 8253 1 14 . 1 1 46 46 GLN C C 47 177.234 177.234 177.390 -0.156 18282 8254 1 14 . 1 1 46 46 GLN CA C 47 58.328 58.328 58.102 0.226 18282 8255 1 14 . 1 1 46 46 GLN CB C 47 28.471 28.471 28.088 0.383 18282 8256 1 14 . 1 1 46 46 GLN H H 47 6.544 6.544 8.214 -1.670 18282 8257 1 14 . 1 1 47 47 GLU N N 48 117.356 117.356 115.824 1.532 18282 8258 1 14 . 1 1 47 47 GLU HA H 48 4.085 4.085 4.342 -0.257 18282 8259 1 14 . 1 1 47 47 GLU C C 48 179.130 179.130 177.222 1.908 18282 8260 1 14 . 1 1 47 47 GLU CA C 48 58.215 58.215 56.164 2.051 18282 8261 1 14 . 1 1 47 47 GLU CB C 48 29.247 29.247 30.564 -1.317 18282 8262 1 14 . 1 1 47 47 GLU H H 48 7.710 7.710 7.821 -0.111 18282 8263 1 14 . 1 1 48 48 GLY N N 49 105.456 105.456 110.332 -4.876 18282 8264 1 14 . 1 1 48 48 GLY C C 49 171.006 171.006 173.159 -2.153 18282 8265 1 14 . 1 1 48 48 GLY CA C 49 47.085 47.085 45.381 1.704 18282 8266 1 14 . 1 1 48 48 GLY H H 49 7.296 7.296 7.831 -0.535 18282 8267 1 14 . 1 1 49 49 THR N N 50 114.015 114.015 113.531 0.484 18282 8268 1 14 . 1 1 49 49 THR HA H 50 4.248 4.248 4.788 -0.540 18282 8269 1 14 . 1 1 49 49 THR CA C 50 61.830 61.830 59.194 2.636 18282 8270 1 14 . 1 1 49 49 THR CB C 50 70.692 70.692 71.230 -0.538 18282 8271 1 14 . 1 1 49 49 THR H H 50 7.599 7.599 7.541 0.058 18282 8272 1 14 . 1 1 50 50 ILE HA H 51 4.135 4.135 4.433 -0.298 18282 8273 1 14 . 1 1 50 50 ILE C C 51 172.608 172.608 174.686 -2.078 18282 8274 1 14 . 1 1 50 50 ILE CA C 51 59.075 59.075 60.504 -1.429 18282 8275 1 14 . 1 1 50 50 ILE CB C 51 35.416 35.416 39.385 -3.969 18282 8276 1 14 . 1 1 51 51 ASP N N 52 121.859 121.859 126.298 -4.439 18282 8277 1 14 . 1 1 51 51 ASP HA H 52 4.625 4.625 4.925 -0.300 18282 8278 1 14 . 1 1 51 51 ASP C C 52 175.770 175.770 175.511 0.259 18282 8279 1 14 . 1 1 51 51 ASP CA C 52 51.634 51.634 53.266 -1.632 18282 8280 1 14 . 1 1 51 51 ASP CB C 52 42.528 42.528 41.961 0.567 18282 8281 1 14 . 1 1 51 51 ASP H H 52 7.176 7.176 9.294 -2.118 18282 8282 1 14 . 1 1 52 52 ILE N N 53 119.549 119.549 122.345 -2.796 18282 8283 1 14 . 1 1 52 52 ILE HA H 53 4.150 4.150 4.190 -0.040 18282 8284 1 14 . 1 1 52 52 ILE C C 53 176.961 176.961 177.466 -0.505 18282 8285 1 14 . 1 1 52 52 ILE CA C 53 61.899 61.899 62.672 -0.773 18282 8286 1 14 . 1 1 52 52 ILE CB C 53 37.700 37.700 38.596 -0.895 18282 8287 1 14 . 1 1 52 52 ILE H H 53 8.777 8.777 8.694 0.083 18282 8288 1 14 . 1 1 53 53 LYS N N 54 123.515 123.515 120.823 2.692 18282 8289 1 14 . 1 1 53 53 LYS HA H 54 4.116 4.116 4.318 -0.202 18282 8290 1 14 . 1 1 53 53 LYS C C 54 180.448 180.448 178.757 1.691 18282 8291 1 14 . 1 1 53 53 LYS CA C 54 59.934 59.934 59.795 0.139 18282 8292 1 14 . 1 1 53 53 LYS CB C 54 31.875 31.875 32.058 -0.183 18282 8293 1 14 . 1 1 53 53 LYS H H 54 8.106 8.106 8.371 -0.265 18282 8294 1 14 . 1 1 54 54 ARG N N 55 120.371 120.371 120.320 0.051 18282 8295 1 14 . 1 1 54 54 ARG HA H 55 4.422 4.422 4.058 0.364 18282 8296 1 14 . 1 1 54 54 ARG C C 55 179.159 179.159 178.190 0.969 18282 8297 1 14 . 1 1 54 54 ARG CA C 55 59.726 59.726 59.123 0.603 18282 8298 1 14 . 1 1 54 54 ARG CB C 55 37.368 37.368 29.771 7.597 18282 8299 1 14 . 1 1 54 54 ARG H H 55 9.183 9.183 8.640 0.543 18282 8300 1 14 . 1 1 55 55 TRP N N 56 120.755 120.755 119.991 0.764 18282 8301 1 14 . 1 1 55 55 TRP HA H 56 4.747 4.747 3.898 0.849 18282 8302 1 14 . 1 1 55 55 TRP C C 56 179.954 179.954 176.927 3.027 18282 8303 1 14 . 1 1 55 55 TRP CA C 56 60.105 60.105 59.813 0.291 18282 8304 1 14 . 1 1 55 55 TRP CB C 56 29.997 29.997 29.045 0.952 18282 8305 1 14 . 1 1 55 55 TRP H H 56 8.927 8.927 8.443 0.484 18282 8306 1 14 . 1 1 56 56 ARG N N 57 122.194 122.194 118.586 3.608 18282 8307 1 14 . 1 1 56 56 ARG HA H 57 4.406 4.406 3.547 0.859 18282 8308 1 14 . 1 1 56 56 ARG C C 57 178.101 178.101 178.659 -0.558 18282 8309 1 14 . 1 1 56 56 ARG CA C 57 60.198 60.198 59.344 0.854 18282 8310 1 14 . 1 1 56 56 ARG CB C 57 29.585 29.585 29.608 -0.024 18282 8311 1 14 . 1 1 56 56 ARG H H 57 9.220 9.220 7.621 1.599 18282 8312 1 14 . 1 1 57 57 ARG N N 58 120.674 120.674 120.717 -0.043 18282 8313 1 14 . 1 1 57 57 ARG HA H 58 4.186 4.186 3.961 0.225 18282 8314 1 14 . 1 1 57 57 ARG C C 58 179.445 179.445 178.008 1.437 18282 8315 1 14 . 1 1 57 57 ARG CA C 58 59.832 59.832 59.814 0.018 18282 8316 1 14 . 1 1 57 57 ARG CB C 58 29.753 29.753 30.035 -0.281 18282 8317 1 14 . 1 1 57 57 ARG H H 58 7.605 7.605 7.389 0.216 18282 8318 1 14 . 1 1 58 58 VAL N N 59 121.833 121.833 118.245 3.588 18282 8319 1 14 . 1 1 58 58 VAL HA H 59 3.675 3.675 3.808 -0.133 18282 8320 1 14 . 1 1 58 58 VAL C C 59 176.565 176.565 177.462 -0.897 18282 8321 1 14 . 1 1 58 58 VAL CA C 59 65.920 65.920 65.655 0.265 18282 8322 1 14 . 1 1 58 58 VAL CB C 59 30.785 30.785 31.423 -0.638 18282 8323 1 14 . 1 1 58 58 VAL H H 59 7.819 7.819 7.382 0.437 18282 8324 1 14 . 1 1 59 59 GLY N N 60 106.521 106.521 107.104 -0.583 18282 8325 1 14 . 1 1 59 59 GLY C C 60 175.923 175.923 175.552 0.371 18282 8326 1 14 . 1 1 59 59 GLY CA C 60 45.982 45.982 47.181 -1.198 18282 8327 1 14 . 1 1 59 59 GLY H H 60 7.540 7.540 8.140 -0.600 18282 8328 1 14 . 1 1 60 60 ASP N N 61 123.066 123.066 123.051 0.015 18282 8329 1 14 . 1 1 60 60 ASP HA H 61 4.261 4.261 4.449 -0.188 18282 8330 1 14 . 1 1 60 60 ASP C C 61 178.537 178.537 178.834 -0.297 18282 8331 1 14 . 1 1 60 60 ASP CA C 61 56.907 56.907 57.066 -0.159 18282 8332 1 14 . 1 1 60 60 ASP CB C 61 39.654 39.654 40.328 -0.674 18282 8333 1 14 . 1 1 60 60 ASP H H 61 8.197 8.197 8.525 -0.328 18282 8334 1 14 . 1 1 61 61 CYS N N 62 121.005 121.005 119.505 1.500 18282 8335 1 14 . 1 1 61 61 CYS C C 62 177.083 177.083 176.864 0.219 18282 8336 1 14 . 1 1 61 61 CYS CA C 62 62.380 62.380 64.437 -2.057 18282 8337 1 14 . 1 1 61 61 CYS CB C 62 26.011 26.011 27.416 -1.405 18282 8338 1 14 . 1 1 61 61 CYS H H 62 7.858 7.858 7.701 0.157 18282 8339 1 14 . 1 1 62 62 PHE N N 63 119.362 119.362 118.632 0.730 18282 8340 1 14 . 1 1 62 62 PHE HA H 63 4.117 4.117 4.237 -0.120 18282 8341 1 14 . 1 1 62 62 PHE C C 63 178.081 178.081 178.088 -0.007 18282 8342 1 14 . 1 1 62 62 PHE CA C 63 57.843 57.843 62.037 -4.194 18282 8343 1 14 . 1 1 62 62 PHE CB C 63 36.605 36.605 38.376 -1.771 18282 8344 1 14 . 1 1 62 62 PHE H H 63 8.530 8.530 8.195 0.335 18282 8345 1 14 . 1 1 63 63 GLN N N 64 118.829 118.829 120.188 -1.359 18282 8346 1 14 . 1 1 63 63 GLN HA H 64 4.199 4.199 4.001 0.198 18282 8347 1 14 . 1 1 63 63 GLN C C 64 177.645 177.645 178.073 -0.428 18282 8348 1 14 . 1 1 63 63 GLN CA C 64 59.094 59.094 59.221 -0.127 18282 8349 1 14 . 1 1 63 63 GLN CB C 64 28.337 28.337 28.620 -0.283 18282 8350 1 14 . 1 1 63 63 GLN H H 64 8.236 8.236 8.815 -0.579 18282 8351 1 14 . 1 1 64 64 ASP N N 65 120.234 120.234 120.532 -0.298 18282 8352 1 14 . 1 1 64 64 ASP HA H 65 4.481 4.481 4.304 0.177 18282 8353 1 14 . 1 1 64 64 ASP CA C 65 57.301 57.301 57.134 0.167 18282 8354 1 14 . 1 1 64 64 ASP CB C 65 40.773 40.773 40.395 0.378 18282 8355 1 14 . 1 1 64 64 ASP H H 65 8.257 8.257 8.194 0.063 18282 8356 1 14 . 1 1 65 65 TYR HA H 66 4.598 4.598 4.312 0.286 18282 8357 1 14 . 1 1 65 65 TYR C C 66 178.524 178.524 178.622 -0.098 18282 8358 1 14 . 1 1 65 65 TYR CA C 66 60.355 60.355 61.444 -1.089 18282 8359 1 14 . 1 1 65 65 TYR CB C 66 37.796 37.796 38.466 -0.670 18282 8360 1 14 . 1 1 66 66 TYR N N 67 122.741 122.741 120.176 2.565 18282 8361 1 14 . 1 1 66 66 TYR HA H 67 4.044 4.044 4.167 -0.123 18282 8362 1 14 . 1 1 66 66 TYR C C 67 178.220 178.220 177.794 0.426 18282 8363 1 14 . 1 1 66 66 TYR CA C 67 61.726 61.726 61.752 -0.026 18282 8364 1 14 . 1 1 66 66 TYR CB C 67 38.932 38.932 38.460 0.472 18282 8365 1 14 . 1 1 66 66 TYR H H 67 9.083 9.083 8.776 0.307 18282 8366 1 14 . 1 1 67 67 ASN N N 68 118.530 118.530 115.610 2.920 18282 8367 1 14 . 1 1 67 67 ASN HA H 68 4.378 4.378 4.580 -0.202 18282 8368 1 14 . 1 1 67 67 ASN C C 68 176.633 176.633 177.676 -1.043 18282 8369 1 14 . 1 1 67 67 ASN CA C 68 55.293 55.293 55.616 -0.323 18282 8370 1 14 . 1 1 67 67 ASN CB C 68 37.860 37.860 38.185 -0.325 18282 8371 1 14 . 1 1 67 67 ASN H H 68 8.796 8.796 8.572 0.224 18282 8372 1 14 . 1 1 68 68 THR N N 69 114.328 114.328 112.475 1.853 18282 8373 1 14 . 1 1 68 68 THR HA H 69 3.872 3.872 4.158 -0.286 18282 8374 1 14 . 1 1 68 68 THR C C 69 174.832 174.832 175.394 -0.562 18282 8375 1 14 . 1 1 68 68 THR CA C 69 65.224 65.224 64.735 0.489 18282 8376 1 14 . 1 1 68 68 THR CB C 69 69.484 69.484 68.033 1.451 18282 8377 1 14 . 1 1 68 68 THR H H 69 7.960 7.960 7.607 0.353 18282 8378 1 14 . 1 1 69 69 PHE N N 70 118.107 118.107 120.677 -2.570 18282 8379 1 14 . 1 1 69 69 PHE HA H 70 4.626 4.626 4.478 0.148 18282 8380 1 14 . 1 1 69 69 PHE C C 70 176.495 176.495 175.684 0.811 18282 8381 1 14 . 1 1 69 69 PHE CA C 70 58.409 58.409 58.458 -0.049 18282 8382 1 14 . 1 1 69 69 PHE CB C 70 40.742 40.742 39.159 1.583 18282 8383 1 14 . 1 1 69 69 PHE H H 70 8.591 8.591 7.920 0.671 18282 8384 1 14 . 1 1 70 70 GLY N N 71 109.309 109.309 108.156 1.153 18282 8385 1 14 . 1 1 70 70 GLY CA C 71 44.684 44.684 45.376 -0.692 18282 8386 1 14 . 1 1 70 70 GLY H H 71 7.893 7.893 7.511 0.382 18282 8387 1 14 . 1 1 71 71 PRO HA H 72 4.691 4.691 4.479 0.212 18282 8388 1 14 . 1 1 71 71 PRO C C 72 177.772 177.772 176.690 1.082 18282 8389 1 14 . 1 1 71 71 PRO CA C 72 63.458 63.458 62.931 0.527 18282 8390 1 14 . 1 1 71 71 PRO CB C 72 31.823 31.823 31.610 0.213 18282 8391 1 14 . 1 1 72 72 GLU N N 73 117.421 117.421 124.361 -6.940 18282 8392 1 14 . 1 1 72 72 GLU HA H 73 4.061 4.061 4.102 -0.041 18282 8393 1 14 . 1 1 72 72 GLU C C 73 177.236 177.236 177.615 -0.379 18282 8394 1 14 . 1 1 72 72 GLU CA C 73 58.570 58.570 58.693 -0.123 18282 8395 1 14 . 1 1 72 72 GLU CB C 73 28.853 28.853 29.499 -0.646 18282 8396 1 14 . 1 1 72 72 GLU H H 73 8.595 8.595 8.601 -0.006 18282 8397 1 14 . 1 1 73 73 LYS N N 74 116.846 116.846 118.808 -1.962 18282 8398 1 14 . 1 1 73 73 LYS HA H 74 4.381 4.381 4.214 0.167 18282 8399 1 14 . 1 1 73 73 LYS C C 74 175.662 175.662 175.632 0.030 18282 8400 1 14 . 1 1 73 73 LYS CA C 74 55.263 55.263 56.030 -0.767 18282 8401 1 14 . 1 1 73 73 LYS CB C 74 33.891 33.891 32.687 1.204 18282 8402 1 14 . 1 1 73 73 LYS H H 74 7.493 7.493 8.003 -0.510 18282 8403 1 14 . 1 1 74 74 VAL N N 75 118.056 118.056 118.623 -0.567 18282 8404 1 14 . 1 1 74 74 VAL HA H 75 4.423 4.423 4.013 0.410 18282 8405 1 14 . 1 1 74 74 VAL CA C 75 58.438 58.438 61.841 -3.403 18282 8406 1 14 . 1 1 74 74 VAL CB C 75 33.763 33.763 31.627 2.136 18282 8407 1 14 . 1 1 74 74 VAL H H 75 7.342 7.342 7.643 -0.301 18282 8408 1 14 . 1 1 75 75 PRO HA H 76 4.585 4.585 4.461 0.124 18282 8409 1 14 . 1 1 75 75 PRO C C 76 178.543 178.543 177.286 1.257 18282 8410 1 14 . 1 1 75 75 PRO CA C 76 61.911 61.911 63.288 -1.377 18282 8411 1 14 . 1 1 75 75 PRO CB C 76 32.035 32.035 32.386 -0.351 18282 8412 1 14 . 1 1 76 76 VAL N N 77 119.825 119.825 126.091 -6.266 18282 8413 1 14 . 1 1 76 76 VAL HA H 77 3.921 3.921 3.778 0.143 18282 8414 1 14 . 1 1 76 76 VAL CA C 77 65.316 65.316 64.132 1.184 18282 8415 1 14 . 1 1 76 76 VAL CB C 77 31.316 31.316 31.536 -0.220 18282 8416 1 14 . 1 1 76 76 VAL H H 77 8.604 8.604 8.368 0.236 18282 8417 1 14 . 1 1 77 77 THR N N 78 109.390 109.390 113.753 -4.363 18282 8418 1 14 . 1 1 77 77 THR HA H 78 3.914 3.914 4.105 -0.191 18282 8419 1 14 . 1 1 77 77 THR C C 78 175.732 175.732 176.005 -0.273 18282 8420 1 14 . 1 1 77 77 THR CA C 78 62.803 62.803 65.714 -2.911 18282 8421 1 14 . 1 1 77 77 THR CB C 78 68.357 68.357 68.287 0.070 18282 8422 1 14 . 1 1 77 77 THR H H 78 7.380 7.380 8.353 -0.973 18282 8423 1 14 . 1 1 78 78 ALA N N 79 123.661 123.661 124.070 -0.409 18282 8424 1 14 . 1 1 78 78 ALA HA H 79 4.001 4.001 4.317 -0.316 18282 8425 1 14 . 1 1 78 78 ALA C C 79 179.527 179.527 179.944 -0.417 18282 8426 1 14 . 1 1 78 78 ALA CA C 79 55.091 55.091 54.872 0.219 18282 8427 1 14 . 1 1 78 78 ALA CB C 79 17.561 17.561 18.410 -0.849 18282 8428 1 14 . 1 1 78 78 ALA H H 79 7.811 7.811 7.584 0.227 18282 8429 1 14 . 1 1 79 79 PHE N N 80 114.258 114.258 117.735 -3.477 18282 8430 1 14 . 1 1 79 79 PHE HA H 80 4.452 4.452 4.404 0.048 18282 8431 1 14 . 1 1 79 79 PHE C C 80 178.586 178.586 177.913 0.673 18282 8432 1 14 . 1 1 79 79 PHE CA C 80 61.656 61.656 60.339 1.317 18282 8433 1 14 . 1 1 79 79 PHE CB C 80 37.694 37.694 38.272 -0.578 18282 8434 1 14 . 1 1 79 79 PHE H H 80 7.306 7.306 9.388 -2.082 18282 8435 1 14 . 1 1 80 80 SER N N 81 116.865 116.865 115.091 1.774 18282 8436 1 14 . 1 1 80 80 SER CA C 81 61.824 61.824 61.859 -0.035 18282 8437 1 14 . 1 1 80 80 SER H H 81 7.733 7.733 7.902 -0.169 18282 8438 1 14 . 1 1 81 81 TYR N N 82 121.932 121.932 121.911 0.021 18282 8439 1 14 . 1 1 81 81 TYR HA H 82 4.133 4.133 4.215 -0.082 18282 8440 1 14 . 1 1 81 81 TYR C C 82 177.701 177.701 177.792 -0.091 18282 8441 1 14 . 1 1 81 81 TYR CA C 82 60.027 60.027 61.976 -1.949 18282 8442 1 14 . 1 1 81 81 TYR CB C 82 34.104 34.104 38.057 -3.953 18282 8443 1 14 . 1 1 81 81 TYR H H 82 8.151 8.151 7.711 0.440 18282 8444 1 14 . 1 1 82 82 TRP N N 83 120.817 120.817 120.084 0.733 18282 8445 1 14 . 1 1 82 82 TRP HA H 83 4.436 4.436 4.252 0.184 18282 8446 1 14 . 1 1 82 82 TRP CA C 83 63.975 63.975 60.737 3.238 18282 8447 1 14 . 1 1 82 82 TRP CB C 83 28.557 28.557 29.379 -0.822 18282 8448 1 14 . 1 1 82 82 TRP H H 83 8.645 8.645 8.128 0.517 18282 8449 1 14 . 1 1 83 83 ASN HA H 84 4.230 4.230 4.464 -0.234 18282 8450 1 14 . 1 1 83 83 ASN C C 84 176.140 176.140 177.895 -1.755 18282 8451 1 14 . 1 1 83 83 ASN CA C 84 56.683 56.683 56.330 0.353 18282 8452 1 14 . 1 1 83 83 ASN CB C 84 39.116 39.116 37.915 1.201 18282 8453 1 14 . 1 1 84 84 LEU N N 85 121.884 121.884 122.114 -0.230 18282 8454 1 14 . 1 1 84 84 LEU HA H 85 4.054 4.054 4.150 -0.096 18282 8455 1 14 . 1 1 84 84 LEU C C 85 178.369 178.369 178.326 0.043 18282 8456 1 14 . 1 1 84 84 LEU CA C 85 58.228 58.228 57.737 0.491 18282 8457 1 14 . 1 1 84 84 LEU CB C 85 41.576 41.576 41.891 -0.315 18282 8458 1 14 . 1 1 84 84 LEU H H 85 7.751 7.751 7.795 -0.044 18282 8459 1 14 . 1 1 85 85 ILE N N 86 116.825 116.825 119.097 -2.272 18282 8460 1 14 . 1 1 85 85 ILE HA H 86 3.462 3.462 3.515 -0.053 18282 8461 1 14 . 1 1 85 85 ILE C C 86 176.809 176.809 177.762 -0.953 18282 8462 1 14 . 1 1 85 85 ILE CA C 86 61.345 61.345 65.432 -4.087 18282 8463 1 14 . 1 1 85 85 ILE CB C 86 34.099 34.099 37.599 -3.500 18282 8464 1 14 . 1 1 85 85 ILE H H 86 7.952 7.952 8.584 -0.632 18282 8465 1 14 . 1 1 86 86 LYS N N 87 121.846 121.846 119.999 1.847 18282 8466 1 14 . 1 1 86 86 LYS HA H 87 3.231 3.231 3.619 -0.388 18282 8467 1 14 . 1 1 86 86 LYS C C 87 177.221 177.221 178.302 -1.081 18282 8468 1 14 . 1 1 86 86 LYS CA C 87 60.033 60.033 59.638 0.396 18282 8469 1 14 . 1 1 86 86 LYS CB C 87 31.005 31.005 31.892 -0.888 18282 8470 1 14 . 1 1 86 86 LYS H H 87 7.876 7.876 7.724 0.152 18282 8471 1 14 . 1 1 87 87 GLU N N 88 116.331 116.331 119.393 -3.062 18282 8472 1 14 . 1 1 87 87 GLU HA H 88 3.861 3.861 4.153 -0.292 18282 8473 1 14 . 1 1 87 87 GLU C C 88 178.810 178.810 178.737 0.073 18282 8474 1 14 . 1 1 87 87 GLU CA C 88 58.949 58.949 58.218 0.731 18282 8475 1 14 . 1 1 87 87 GLU CB C 88 29.221 29.221 29.001 0.220 18282 8476 1 14 . 1 1 87 87 GLU H H 88 7.679 7.679 7.604 0.075 18282 8477 1 14 . 1 1 88 88 LEU N N 89 118.090 118.090 121.828 -3.738 18282 8478 1 14 . 1 1 88 88 LEU HA H 89 3.909 3.909 4.053 -0.144 18282 8479 1 14 . 1 1 88 88 LEU CA C 89 57.688 57.688 57.936 -0.248 18282 8480 1 14 . 1 1 88 88 LEU CB C 89 41.436 41.436 41.414 0.022 18282 8481 1 14 . 1 1 88 88 LEU H H 89 7.441 7.441 8.148 -0.707 18282 8482 1 14 . 1 1 89 89 ILE HA H 90 3.344 3.344 3.715 -0.371 18282 8483 1 14 . 1 1 89 89 ILE CA C 90 65.082 65.082 64.183 0.899 18282 8484 1 14 . 1 1 89 89 ILE CB C 90 37.556 37.556 38.029 -0.473 18282 8485 1 14 . 1 1 90 90 ASP HA H 91 3.894 3.894 4.409 -0.515 18282 8486 1 14 . 1 1 90 90 ASP CA C 91 57.678 57.678 55.794 1.885 18282 8487 1 14 . 1 1 90 90 ASP CB C 91 40.546 40.546 40.716 -0.170 18282 8488 1 14 . 1 1 91 91 LYS N N 92 119.422 119.422 119.800 -0.378 18282 8489 1 14 . 1 1 91 91 LYS CA C 92 54.600 54.600 56.690 -2.090 18282 8490 1 14 . 1 1 91 91 LYS CB C 92 32.014 32.014 32.614 -0.600 18282 8491 1 14 . 1 1 91 91 LYS H H 92 7.903 7.903 7.703 0.200 18282 8492 1 14 . 1 1 92 92 LYS HA H 93 4.541 4.541 4.035 0.506 18282 8493 1 14 . 1 1 92 92 LYS CA C 93 55.202 55.202 58.803 -3.602 18282 8494 1 14 . 1 1 92 92 LYS CB C 93 31.758 31.758 32.654 -0.896 18282 8495 1 14 . 1 1 93 93 GLU N N 94 115.922 115.922 120.517 -4.595 18282 8496 1 14 . 1 1 93 93 GLU HA H 94 4.283 4.283 4.227 0.056 18282 8497 1 14 . 1 1 93 93 GLU C C 94 175.613 175.613 175.961 -0.348 18282 8498 1 14 . 1 1 93 93 GLU CA C 94 56.296 56.296 55.358 0.938 18282 8499 1 14 . 1 1 93 93 GLU CB C 94 29.415 29.415 28.205 1.210 18282 8500 1 14 . 1 1 93 93 GLU H H 94 8.140 8.140 8.298 -0.158 18282 8501 1 14 . 1 1 94 94 VAL N N 95 121.304 121.304 117.968 3.336 18282 8502 1 14 . 1 1 94 94 VAL HA H 95 3.773 3.773 4.063 -0.290 18282 8503 1 14 . 1 1 94 94 VAL CA C 95 62.257 62.257 62.377 -0.119 18282 8504 1 14 . 1 1 94 94 VAL CB C 95 32.047 32.047 32.491 -0.444 18282 8505 1 14 . 1 1 94 94 VAL H H 95 8.003 8.003 7.919 0.084 18282 8506 1 14 . 1 1 95 95 ASN H H 96 7.518 7.518 8.572 -1.054 18282 8507 1 14 . 1 1 96 96 PRO HA H 97 4.319 4.319 4.200 0.119 18282 8508 1 14 . 1 1 96 96 PRO C C 97 179.088 179.088 178.091 0.997 18282 8509 1 14 . 1 1 96 96 PRO CA C 97 64.963 64.963 64.707 0.256 18282 8510 1 14 . 1 1 96 96 PRO CB C 97 32.035 32.035 31.788 0.247 18282 8511 1 14 . 1 1 97 97 GLN N N 98 117.793 117.793 117.587 0.206 18282 8512 1 14 . 1 1 97 97 GLN HA H 98 3.952 3.952 4.017 -0.065 18282 8513 1 14 . 1 1 97 97 GLN C C 98 179.272 179.272 177.573 1.699 18282 8514 1 14 . 1 1 97 97 GLN CA C 98 55.691 55.691 58.608 -2.917 18282 8515 1 14 . 1 1 97 97 GLN CB C 98 28.378 28.378 27.146 1.232 18282 8516 1 14 . 1 1 97 97 GLN H H 98 8.351 8.351 8.509 -0.158 18282 8517 1 14 . 1 1 98 98 VAL N N 99 121.247 121.247 120.037 1.210 18282 8518 1 14 . 1 1 98 98 VAL HA H 99 3.440 3.440 3.762 -0.322 18282 8519 1 14 . 1 1 98 98 VAL CA C 99 67.776 67.776 65.691 2.085 18282 8520 1 14 . 1 1 98 98 VAL CB C 99 31.574 31.574 31.208 0.366 18282 8521 1 14 . 1 1 98 98 VAL H H 99 7.901 7.901 7.573 0.328 18282 8522 1 14 . 1 1 100 100 ALA HA H 101 4.218 4.218 4.105 0.113 18282 8523 1 14 . 1 1 100 100 ALA C C 101 179.599 179.599 178.952 0.647 18282 8524 1 14 . 1 1 100 100 ALA CA C 101 54.685 54.685 54.732 -0.047 18282 8525 1 14 . 1 1 100 100 ALA CB C 101 17.562 17.562 18.213 -0.651 18282 8526 1 14 . 1 1 101 101 ALA N N 102 119.533 119.533 120.883 -1.350 18282 8527 1 14 . 1 1 101 101 ALA HA H 102 4.005 4.005 4.101 -0.096 18282 8528 1 14 . 1 1 101 101 ALA C C 102 180.970 180.970 179.229 1.741 18282 8529 1 14 . 1 1 101 101 ALA CA C 102 55.013 55.013 54.093 0.920 18282 8530 1 14 . 1 1 101 101 ALA CB C 102 17.422 17.422 18.226 -0.804 18282 8531 1 14 . 1 1 101 101 ALA H H 102 7.559 7.559 7.886 -0.327 18282 8532 1 14 . 1 1 102 102 VAL N N 103 122.669 122.669 118.808 3.861 18282 8533 1 14 . 1 1 102 102 VAL HA H 103 4.087 4.087 3.723 0.364 18282 8534 1 14 . 1 1 102 102 VAL C C 103 175.666 175.666 177.389 -1.723 18282 8535 1 14 . 1 1 102 102 VAL CA C 103 61.850 61.850 65.216 -3.366 18282 8536 1 14 . 1 1 102 102 VAL CB C 103 32.576 32.576 30.834 1.742 18282 8537 1 14 . 1 1 102 102 VAL H H 103 8.851 8.851 7.601 1.250 18282 8538 1 14 . 1 1 103 103 ALA N N 104 128.048 128.048 122.562 5.486 18282 8539 1 14 . 1 1 103 103 ALA HA H 104 4.288 4.288 4.076 0.212 18282 8540 1 14 . 1 1 103 103 ALA C C 104 177.344 177.344 177.621 -0.277 18282 8541 1 14 . 1 1 103 103 ALA CA C 104 52.194 52.194 54.058 -1.864 18282 8542 1 14 . 1 1 103 103 ALA CB C 104 19.021 19.021 19.066 -0.045 18282 8543 1 14 . 1 1 103 103 ALA H H 104 8.374 8.374 7.567 0.807 18282 8544 1 14 . 1 1 104 104 GLN N N 105 120.285 120.285 119.288 0.997 18282 8545 1 14 . 1 1 104 104 GLN HA H 105 4.281 4.281 4.352 -0.071 18282 8546 1 14 . 1 1 104 104 GLN CA C 105 55.656 55.656 55.580 0.076 18282 8547 1 14 . 1 1 104 104 GLN CB C 105 32.581 32.581 28.226 4.356 18282 8548 1 14 . 1 1 104 104 GLN H H 105 8.374 8.374 7.570 0.804 18282 8549 1 14 . 1 1 105 105 THR HA H 106 4.293 4.293 4.462 -0.169 18282 8550 1 14 . 1 1 105 105 THR C C 106 174.384 174.384 174.041 0.343 18282 8551 1 14 . 1 1 105 105 THR CA C 106 61.663 61.663 60.779 0.884 18282 8552 1 14 . 1 1 105 105 THR CB C 106 69.458 69.458 70.362 -0.904 18282 8553 1 14 . 1 1 106 106 GLU N N 107 122.744 122.744 123.175 -0.431 18282 8554 1 14 . 1 1 106 106 GLU HA H 107 4.241 4.241 4.495 -0.254 18282 8555 1 14 . 1 1 106 106 GLU C C 107 176.331 176.331 175.808 0.523 18282 8556 1 14 . 1 1 106 106 GLU CA C 107 56.621 56.621 55.839 0.782 18282 8557 1 14 . 1 1 106 106 GLU CB C 107 30.004 30.004 30.636 -0.632 18282 8558 1 14 . 1 1 106 106 GLU H H 107 8.415 8.415 8.439 -0.024 18282 8559 1 14 . 1 1 107 107 GLU N N 108 121.993 121.993 120.818 1.175 18282 8560 1 14 . 1 1 107 107 GLU HA H 108 4.184 4.184 4.348 -0.164 18282 8561 1 14 . 1 1 107 107 GLU C C 108 176.404 176.404 177.912 -1.508 18282 8562 1 14 . 1 1 107 107 GLU CA C 108 56.721 56.721 56.017 0.704 18282 8563 1 14 . 1 1 107 107 GLU CB C 108 29.770 29.770 30.375 -0.605 18282 8564 1 14 . 1 1 107 107 GLU H H 108 8.334 8.334 8.608 -0.274 18282 8565 1 14 . 1 1 108 108 ILE N N 109 122.204 122.204 118.990 3.214 18282 8566 1 14 . 1 1 108 108 ILE HA H 109 4.052 4.052 3.904 0.148 18282 8567 1 14 . 1 1 108 108 ILE C C 109 176.261 176.261 174.991 1.270 18282 8568 1 14 . 1 1 108 108 ILE CA C 109 61.245 61.245 62.631 -1.386 18282 8569 1 14 . 1 1 108 108 ILE CB C 109 38.157 38.157 37.585 0.572 18282 8570 1 14 . 1 1 108 108 ILE H H 109 8.068 8.068 8.378 -0.310 18282 8571 1 14 . 1 1 109 109 LEU N N 110 125.608 125.608 114.889 10.719 18282 8572 1 14 . 1 1 109 109 LEU HA H 110 4.295 4.295 4.501 -0.206 18282 8573 1 14 . 1 1 109 109 LEU C C 110 177.275 177.275 174.616 2.659 18282 8574 1 14 . 1 1 109 109 LEU CA C 110 55.103 55.103 54.661 0.442 18282 8575 1 14 . 1 1 109 109 LEU CB C 110 41.929 41.929 43.900 -1.970 18282 8576 1 14 . 1 1 109 109 LEU H H 110 8.187 8.187 7.233 0.954 18282 8577 1 14 . 1 1 110 110 LYS N N 111 122.154 122.154 120.489 1.665 18282 8578 1 14 . 1 1 110 110 LYS HA H 111 4.278 4.278 4.755 -0.477 18282 8579 1 14 . 1 1 110 110 LYS C C 111 176.606 176.606 176.563 0.043 18282 8580 1 14 . 1 1 110 110 LYS CA C 111 56.125 56.125 54.339 1.786 18282 8581 1 14 . 1 1 110 110 LYS CB C 111 32.423 32.423 35.597 -3.174 18282 8582 1 14 . 1 1 110 110 LYS H H 111 8.206 8.206 7.677 0.529 18282 8583 1 14 . 1 1 111 111 SER N N 112 116.381 116.381 117.631 -1.250 18282 8584 1 14 . 1 1 111 111 SER HA H 112 4.395 4.395 4.286 0.109 18282 8585 1 14 . 1 1 111 111 SER C C 112 175.168 175.168 175.343 -0.175 18282 8586 1 14 . 1 1 111 111 SER CA C 112 58.456 58.456 60.240 -1.784 18282 8587 1 14 . 1 1 111 111 SER CB C 112 63.495 63.495 62.828 0.666 18282 8588 1 14 . 1 1 111 111 SER H H 112 8.217 8.217 8.813 -0.596 18282 8589 1 14 . 1 1 112 112 ASN N N 113 119.799 119.799 117.041 2.758 18282 8590 1 14 . 1 1 112 112 ASN HA H 113 4.699 4.699 4.583 0.116 18282 8591 1 14 . 1 1 112 112 ASN C C 113 175.552 175.552 175.579 -0.027 18282 8592 1 14 . 1 1 112 112 ASN CA C 113 53.592 53.592 55.285 -1.693 18282 8593 1 14 . 1 1 112 112 ASN CB C 113 38.772 38.772 38.383 0.389 18282 8594 1 14 . 1 1 112 112 ASN H H 113 7.950 7.950 8.208 -0.258 18282 8595 1 14 . 1 1 113 113 SER N N 114 115.430 115.430 112.556 2.874 18282 8596 1 14 . 1 1 113 113 SER HA H 114 4.382 4.382 4.425 -0.043 18282 8597 1 14 . 1 1 113 113 SER C C 114 174.558 174.558 173.822 0.736 18282 8598 1 14 . 1 1 113 113 SER CA C 114 58.919 58.919 58.712 0.207 18282 8599 1 14 . 1 1 113 113 SER CB C 114 63.494 63.494 64.725 -1.231 18282 8600 1 14 . 1 1 113 113 SER H H 114 7.970 7.970 7.577 0.393 18282 8601 1 14 . 1 1 114 114 GLN N N 115 121.973 121.973 119.293 2.680 18282 8602 1 14 . 1 1 114 114 GLN HA H 115 4.347 4.347 3.909 0.438 18282 8603 1 14 . 1 1 114 114 GLN C C 115 176.246 176.246 175.458 0.788 18282 8604 1 14 . 1 1 114 114 GLN CA C 115 56.036 56.036 56.108 -0.072 18282 8605 1 14 . 1 1 114 114 GLN CB C 115 29.196 29.196 28.533 0.663 18282 8606 1 14 . 1 1 114 114 GLN H H 115 8.382 8.382 7.962 0.420 18282 8607 1 14 . 1 1 115 115 THR N N 116 114.701 114.701 112.131 2.570 18282 8608 1 14 . 1 1 115 115 THR HA H 116 4.238 4.238 4.074 0.164 18282 8609 1 14 . 1 1 115 115 THR C C 116 174.276 174.276 174.742 -0.466 18282 8610 1 14 . 1 1 115 115 THR CA C 116 62.221 62.221 63.819 -1.597 18282 8611 1 14 . 1 1 115 115 THR CB C 116 69.405 69.405 68.955 0.450 18282 8612 1 14 . 1 1 115 115 THR H H 116 8.070 8.070 8.407 -0.337 18282 8613 1 14 . 1 1 116 116 ASP N N 117 122.566 122.566 119.943 2.623 18282 8614 1 14 . 1 1 116 116 ASP HA H 117 4.575 4.575 4.482 0.093 18282 8615 1 14 . 1 1 116 116 ASP C C 117 176.241 176.241 176.919 -0.678 18282 8616 1 14 . 1 1 116 116 ASP CA C 117 54.286 54.286 56.097 -1.811 18282 8617 1 14 . 1 1 116 116 ASP CB C 117 40.609 40.609 39.700 0.909 18282 8618 1 14 . 1 1 116 116 ASP H H 117 8.288 8.288 8.228 0.060 18282 8619 1 14 . 1 1 117 117 LEU N N 118 122.118 122.118 120.791 1.327 18282 8620 1 14 . 1 1 117 117 LEU HA H 118 4.163 4.163 3.994 0.169 18282 8621 1 14 . 1 1 117 117 LEU C C 118 177.637 177.637 176.827 0.810 18282 8622 1 14 . 1 1 117 117 LEU CA C 118 55.475 55.475 56.143 -0.668 18282 8623 1 14 . 1 1 117 117 LEU CB C 118 41.964 41.964 42.361 -0.397 18282 8624 1 14 . 1 1 117 117 LEU H H 118 8.088 8.088 8.033 0.055 18282 8625 1 14 . 1 1 118 118 GLU N N 119 119.527 119.527 114.154 5.373 18282 8626 1 14 . 1 1 118 118 GLU HA H 119 4.086 4.086 3.853 0.233 18282 8627 1 14 . 1 1 118 118 GLU C C 119 176.265 176.265 176.052 0.213 18282 8628 1 14 . 1 1 118 118 GLU CA C 119 56.569 56.569 57.495 -0.926 18282 8629 1 14 . 1 1 118 118 GLU CB C 119 29.486 29.486 28.652 0.834 18282 8630 1 14 . 1 1 118 118 GLU H H 119 8.134 8.134 7.543 0.591 18282 8631 1 14 . 1 1 119 119 HIS N N 120 118.076 118.076 118.258 -0.182 18282 8632 1 14 . 1 1 119 119 HIS HA H 120 4.485 4.485 4.247 0.238 18282 8633 1 14 . 1 1 119 119 HIS CA C 120 55.422 55.422 57.756 -2.334 18282 8634 1 14 . 1 1 119 119 HIS CB C 120 28.628 28.628 29.924 -1.296 18282 8635 1 14 . 1 1 119 119 HIS H H 120 8.134 8.134 8.232 -0.098 18282 8636 1 14 . 1 1 120 120 HIS N N 121 119.323 119.323 116.039 3.284 18282 8637 1 14 . 1 1 120 120 HIS HA H 121 4.242 4.242 4.707 -0.465 18282 8638 1 14 . 1 1 120 120 HIS CA C 121 56.732 56.732 55.018 1.714 18282 8639 1 14 . 1 1 120 120 HIS H H 121 8.372 8.372 8.033 0.339 18282 8640 1 14 . 1 1 121 121 HIS N N 122 126.032 126.032 119.557 6.475 18282 8641 1 14 . 1 1 121 121 HIS CA C 122 57.036 57.036 58.764 -1.728 18282 8642 1 14 . 1 1 121 121 HIS CB C 122 29.923 29.923 30.651 -0.729 18282 8643 1 14 . 1 1 121 121 HIS H H 122 7.900 7.900 8.658 -0.758 18282 8644 1 14 . 1 1 122 122 HIS N N 123 121.012 121.012 114.632 6.380 18282 8645 1 14 . 1 1 122 122 HIS HA H 123 4.595 4.595 4.755 -0.160 18282 8646 1 14 . 1 1 122 122 HIS CA C 123 55.372 55.372 54.870 0.502 18282 8647 1 14 . 1 1 122 122 HIS CB C 123 29.165 29.165 31.635 -2.470 18282 8648 1 14 . 1 1 122 122 HIS H H 123 8.595 8.595 8.133 0.462 18282 8649 1 14 . 1 1 123 123 HIS N N 124 120.343 120.343 119.470 0.873 18282 8650 1 14 . 1 1 123 123 HIS CA C 124 57.380 57.380 58.316 -0.936 18282 8651 1 14 . 1 1 123 123 HIS CB C 124 35.491 35.491 30.357 5.134 18282 8652 1 14 . 1 1 123 123 HIS H H 124 8.558 8.558 8.729 -0.171 18282 8653 1 15 . 1 1 2 2 GLN N N 3 122.228 122.228 120.568 1.660 18282 8654 1 15 . 1 1 2 2 GLN HA H 3 3.896 3.896 4.107 -0.211 18282 8655 1 15 . 1 1 2 2 GLN C C 3 178.672 178.672 178.011 0.661 18282 8656 1 15 . 1 1 2 2 GLN CA C 3 58.794 58.794 58.460 0.334 18282 8657 1 15 . 1 1 2 2 GLN H H 3 9.310 9.310 8.553 0.757 18282 8658 1 15 . 1 1 3 3 GLU N N 4 119.529 119.529 119.622 -0.093 18282 8659 1 15 . 1 1 3 3 GLU C C 4 175.504 175.504 178.693 -3.189 18282 8660 1 15 . 1 1 3 3 GLU CA C 4 59.561 59.561 58.494 1.067 18282 8661 1 15 . 1 1 3 3 GLU CB C 4 28.876 28.876 28.714 0.162 18282 8662 1 15 . 1 1 3 3 GLU H H 4 8.489 8.489 8.751 -0.262 18282 8663 1 15 . 1 1 4 4 LEU N N 5 114.832 114.832 121.756 -6.924 18282 8664 1 15 . 1 1 4 4 LEU HA H 5 3.716 3.716 3.982 -0.266 18282 8665 1 15 . 1 1 4 4 LEU C C 5 178.276 178.276 178.100 0.176 18282 8666 1 15 . 1 1 4 4 LEU CA C 5 57.813 57.813 57.592 0.221 18282 8667 1 15 . 1 1 4 4 LEU CB C 5 40.844 40.844 41.658 -0.814 18282 8668 1 15 . 1 1 4 4 LEU H H 5 8.210 8.210 8.085 0.125 18282 8669 1 15 . 1 1 5 5 SER N N 6 109.726 109.726 114.376 -4.650 18282 8670 1 15 . 1 1 5 5 SER HA H 6 4.127 4.127 4.076 0.051 18282 8671 1 15 . 1 1 5 5 SER C C 6 178.508 178.508 176.620 1.888 18282 8672 1 15 . 1 1 5 5 SER CA C 6 60.401 60.401 61.388 -0.987 18282 8673 1 15 . 1 1 5 5 SER CB C 6 63.535 63.535 63.053 0.482 18282 8674 1 15 . 1 1 5 5 SER H H 6 8.247 8.247 8.155 0.092 18282 8675 1 15 . 1 1 6 6 GLN N N 7 117.203 117.203 119.097 -1.894 18282 8676 1 15 . 1 1 6 6 GLN HA H 7 4.026 4.026 4.048 -0.022 18282 8677 1 15 . 1 1 6 6 GLN CA C 7 58.474 58.474 58.795 -0.321 18282 8678 1 15 . 1 1 6 6 GLN H H 7 8.719 8.719 8.572 0.146 18282 8679 1 15 . 1 1 7 7 HIS C C 8 178.622 178.622 177.116 1.506 18282 8680 1 15 . 1 1 8 8 GLU N N 9 120.357 120.357 119.214 1.143 18282 8681 1 15 . 1 1 8 8 GLU HA H 9 3.969 3.969 3.978 -0.009 18282 8682 1 15 . 1 1 8 8 GLU C C 9 178.408 178.408 179.072 -0.664 18282 8683 1 15 . 1 1 8 8 GLU CA C 9 58.244 58.244 59.616 -1.372 18282 8684 1 15 . 1 1 8 8 GLU CB C 9 29.013 29.013 29.660 -0.647 18282 8685 1 15 . 1 1 8 8 GLU H H 9 7.701 7.701 7.878 -0.177 18282 8686 1 15 . 1 1 9 9 ARG N N 10 118.791 118.791 118.039 0.752 18282 8687 1 15 . 1 1 9 9 ARG HA H 10 4.124 4.124 3.988 0.136 18282 8688 1 15 . 1 1 9 9 ARG C C 10 178.599 178.599 178.622 -0.023 18282 8689 1 15 . 1 1 9 9 ARG CA C 10 58.633 58.633 59.111 -0.478 18282 8690 1 15 . 1 1 9 9 ARG CB C 10 29.005 29.005 30.162 -1.157 18282 8691 1 15 . 1 1 9 9 ARG H H 10 8.910 8.910 7.681 1.229 18282 8692 1 15 . 1 1 10 10 TYR N N 11 121.239 121.239 120.815 0.424 18282 8693 1 15 . 1 1 10 10 TYR HA H 11 4.186 4.186 4.109 0.077 18282 8694 1 15 . 1 1 10 10 TYR C C 11 176.644 176.644 177.609 -0.965 18282 8695 1 15 . 1 1 10 10 TYR CA C 11 61.311 61.311 61.749 -0.438 18282 8696 1 15 . 1 1 10 10 TYR CB C 11 37.956 37.956 38.295 -0.339 18282 8697 1 15 . 1 1 10 10 TYR H H 11 7.562 7.562 8.350 -0.788 18282 8698 1 15 . 1 1 11 11 VAL N N 12 119.249 119.249 118.274 0.975 18282 8699 1 15 . 1 1 11 11 VAL HA H 12 3.119 3.119 3.533 -0.414 18282 8700 1 15 . 1 1 11 11 VAL C C 12 177.275 177.275 178.260 -0.985 18282 8701 1 15 . 1 1 11 11 VAL CA C 12 66.925 66.925 66.415 0.510 18282 8702 1 15 . 1 1 11 11 VAL CB C 12 30.981 30.981 31.403 -0.422 18282 8703 1 15 . 1 1 11 11 VAL H H 12 8.087 8.087 7.495 0.592 18282 8704 1 15 . 1 1 12 12 GLU N N 13 119.569 119.569 118.600 0.969 18282 8705 1 15 . 1 1 12 12 GLU HA H 13 4.213 4.213 4.006 0.207 18282 8706 1 15 . 1 1 12 12 GLU C C 13 175.207 175.207 178.934 -3.727 18282 8707 1 15 . 1 1 12 12 GLU CA C 13 55.971 55.971 58.925 -2.954 18282 8708 1 15 . 1 1 12 12 GLU CB C 13 28.439 28.439 29.502 -1.062 18282 8709 1 15 . 1 1 12 12 GLU H H 13 8.312 8.312 7.537 0.775 18282 8710 1 15 . 1 1 13 13 GLN N N 14 119.375 119.375 120.204 -0.829 18282 8711 1 15 . 1 1 13 13 GLN HA H 14 3.657 3.657 4.065 -0.408 18282 8712 1 15 . 1 1 13 13 GLN CA C 14 54.294 54.294 58.299 -4.005 18282 8713 1 15 . 1 1 13 13 GLN CB C 14 29.681 29.681 28.365 1.316 18282 8714 1 15 . 1 1 13 13 GLN H H 14 7.690 7.690 8.659 -0.969 18282 8715 1 15 . 1 1 14 14 LEU HA H 15 3.865 3.865 3.752 0.113 18282 8716 1 15 . 1 1 14 14 LEU CA C 15 58.177 58.177 57.259 0.918 18282 8717 1 15 . 1 1 14 14 LEU CB C 15 40.693 40.693 40.902 -0.209 18282 8718 1 15 . 1 1 15 15 LYS HA H 16 3.737 3.737 3.751 -0.014 18282 8719 1 15 . 1 1 15 15 LYS C C 16 177.817 177.817 179.077 -1.260 18282 8720 1 15 . 1 1 15 15 LYS CA C 16 60.352 60.352 59.535 0.817 18282 8721 1 15 . 1 1 15 15 LYS CB C 16 32.106 32.106 31.927 0.179 18282 8722 1 15 . 1 1 16 16 GLN N N 17 117.498 117.498 118.290 -0.792 18282 8723 1 15 . 1 1 16 16 GLN HA H 17 3.864 3.864 4.008 -0.144 18282 8724 1 15 . 1 1 16 16 GLN CA C 17 58.307 58.307 58.382 -0.075 18282 8725 1 15 . 1 1 16 16 GLN CB C 17 27.788 27.788 28.380 -0.592 18282 8726 1 15 . 1 1 16 16 GLN H H 17 7.862 7.862 7.405 0.457 18282 8727 1 15 . 1 1 17 17 ALA HA H 18 3.793 3.793 4.021 -0.228 18282 8728 1 15 . 1 1 17 17 ALA C C 18 179.147 179.147 179.668 -0.521 18282 8729 1 15 . 1 1 17 17 ALA CA C 18 54.792 54.792 54.559 0.232 18282 8730 1 15 . 1 1 17 17 ALA CB C 18 17.693 17.693 18.134 -0.441 18282 8731 1 15 . 1 1 18 18 LEU N N 19 117.278 117.278 118.219 -0.941 18282 8732 1 15 . 1 1 18 18 LEU HA H 19 3.784 3.784 3.795 -0.011 18282 8733 1 15 . 1 1 18 18 LEU C C 19 174.935 174.935 178.685 -3.750 18282 8734 1 15 . 1 1 18 18 LEU CA C 19 57.731 57.731 57.144 0.587 18282 8735 1 15 . 1 1 18 18 LEU CB C 19 40.703 40.703 41.650 -0.947 18282 8736 1 15 . 1 1 18 18 LEU H H 19 8.168 8.168 7.462 0.706 18282 8737 1 15 . 1 1 19 19 LYS N N 20 118.025 118.025 119.604 -1.579 18282 8738 1 15 . 1 1 19 19 LYS C C 20 177.982 177.982 179.490 -1.508 18282 8739 1 15 . 1 1 19 19 LYS CA C 20 60.439 60.439 59.310 1.129 18282 8740 1 15 . 1 1 19 19 LYS H H 20 8.345 8.345 7.549 0.796 18282 8741 1 15 . 1 1 20 20 THR N N 21 116.345 116.345 114.396 1.949 18282 8742 1 15 . 1 1 20 20 THR HA H 21 4.126 4.126 4.069 0.057 18282 8743 1 15 . 1 1 20 20 THR C C 21 175.469 175.469 175.830 -0.361 18282 8744 1 15 . 1 1 20 20 THR CA C 21 64.643 64.643 64.683 -0.040 18282 8745 1 15 . 1 1 20 20 THR CB C 21 68.652 68.652 68.701 -0.049 18282 8746 1 15 . 1 1 20 20 THR H H 21 7.896 7.896 7.504 0.392 18282 8747 1 15 . 1 1 21 21 ARG N N 22 118.792 118.792 119.236 -0.444 18282 8748 1 15 . 1 1 21 21 ARG HA H 22 4.375 4.375 4.268 0.107 18282 8749 1 15 . 1 1 21 21 ARG C C 22 176.364 176.364 176.364 0.000 18282 8750 1 15 . 1 1 21 21 ARG CA C 22 54.157 54.157 55.419 -1.262 18282 8751 1 15 . 1 1 21 21 ARG CB C 22 29.453 29.453 29.990 -0.537 18282 8752 1 15 . 1 1 21 21 ARG H H 22 7.317 7.317 7.654 -0.337 18282 8753 1 15 . 1 1 22 22 GLY N N 23 108.428 108.428 107.326 1.102 18282 8754 1 15 . 1 1 22 22 GLY C C 23 174.154 174.154 174.260 -0.106 18282 8755 1 15 . 1 1 22 22 GLY CA C 23 45.953 45.953 45.452 0.501 18282 8756 1 15 . 1 1 22 22 GLY H H 23 7.881 7.881 7.833 0.048 18282 8757 1 15 . 1 1 23 23 VAL N N 24 117.319 117.319 117.801 -0.482 18282 8758 1 15 . 1 1 23 23 VAL HA H 24 4.036 4.036 4.075 -0.039 18282 8759 1 15 . 1 1 23 23 VAL C C 24 175.601 175.601 175.030 0.571 18282 8760 1 15 . 1 1 23 23 VAL CA C 24 61.635 61.635 61.593 0.042 18282 8761 1 15 . 1 1 23 23 VAL CB C 24 32.589 32.589 32.910 -0.321 18282 8762 1 15 . 1 1 23 23 VAL H H 24 7.431 7.431 7.151 0.280 18282 8763 1 15 . 1 1 24 24 LYS N N 25 127.424 127.424 123.605 3.819 18282 8764 1 15 . 1 1 24 24 LYS HA H 25 4.336 4.336 4.557 -0.221 18282 8765 1 15 . 1 1 24 24 LYS C C 25 175.550 175.550 174.903 0.647 18282 8766 1 15 . 1 1 24 24 LYS CA C 25 55.811 55.811 55.575 0.236 18282 8767 1 15 . 1 1 24 24 LYS CB C 25 32.269 32.269 34.394 -2.125 18282 8768 1 15 . 1 1 24 24 LYS H H 25 8.665 8.665 8.369 0.296 18282 8769 1 15 . 1 1 25 25 VAL N N 26 120.764 120.764 118.527 2.237 18282 8770 1 15 . 1 1 25 25 VAL HA H 26 4.140 4.140 4.541 -0.401 18282 8771 1 15 . 1 1 25 25 VAL C C 26 174.206 174.206 174.726 -0.520 18282 8772 1 15 . 1 1 25 25 VAL CA C 26 60.316 60.316 60.857 -0.541 18282 8773 1 15 . 1 1 25 25 VAL CB C 26 33.920 33.920 34.245 -0.326 18282 8774 1 15 . 1 1 25 25 VAL H H 26 7.545 7.545 8.348 -0.803 18282 8775 1 15 . 1 1 26 26 LYS N N 27 125.707 125.707 125.105 0.602 18282 8776 1 15 . 1 1 26 26 LYS HA H 27 4.115 4.115 4.546 -0.431 18282 8777 1 15 . 1 1 26 26 LYS CA C 27 55.211 55.211 53.686 1.525 18282 8778 1 15 . 1 1 26 26 LYS CB C 27 31.930 31.930 36.210 -4.280 18282 8779 1 15 . 1 1 26 26 LYS H H 27 8.608 8.608 9.035 -0.427 18282 8780 1 15 . 1 1 27 27 TYR CA C 28 56.418 56.418 61.862 -5.444 18282 8781 1 15 . 1 1 27 27 TYR CB C 28 37.036 37.036 37.280 -0.244 18282 8782 1 15 . 1 1 28 28 ALA N N 29 120.712 120.712 121.240 -0.528 18282 8783 1 15 . 1 1 28 28 ALA HA H 29 3.712 3.712 4.002 -0.290 18282 8784 1 15 . 1 1 28 28 ALA C C 29 180.210 180.210 179.647 0.563 18282 8785 1 15 . 1 1 28 28 ALA CA C 29 54.911 54.911 54.549 0.362 18282 8786 1 15 . 1 1 28 28 ALA CB C 29 18.034 18.034 17.467 0.567 18282 8787 1 15 . 1 1 28 28 ALA H H 29 8.326 8.326 8.431 -0.105 18282 8788 1 15 . 1 1 29 29 ASP N N 30 117.166 117.166 119.748 -2.582 18282 8789 1 15 . 1 1 29 29 ASP HA H 30 4.379 4.379 4.289 0.090 18282 8790 1 15 . 1 1 29 29 ASP C C 30 178.427 178.427 178.605 -0.178 18282 8791 1 15 . 1 1 29 29 ASP CA C 30 56.459 56.459 58.185 -1.726 18282 8792 1 15 . 1 1 29 29 ASP CB C 30 39.962 39.962 40.600 -0.638 18282 8793 1 15 . 1 1 29 29 ASP H H 30 6.913 6.913 8.787 -1.874 18282 8794 1 15 . 1 1 30 30 LEU N N 31 123.105 123.105 120.027 3.078 18282 8795 1 15 . 1 1 30 30 LEU HA H 31 3.491 3.491 4.238 -0.747 18282 8796 1 15 . 1 1 30 30 LEU CA C 31 56.841 56.841 57.993 -1.153 18282 8797 1 15 . 1 1 30 30 LEU CB C 31 40.888 40.888 42.098 -1.210 18282 8798 1 15 . 1 1 30 30 LEU H H 31 7.543 7.543 7.644 -0.101 18282 8799 1 15 . 1 1 31 31 LEU HA H 32 3.611 3.611 3.936 -0.325 18282 8800 1 15 . 1 1 31 31 LEU C C 32 179.120 179.120 179.443 -0.323 18282 8801 1 15 . 1 1 31 31 LEU CA C 32 58.103 58.103 58.106 -0.003 18282 8802 1 15 . 1 1 31 31 LEU CB C 32 40.594 40.594 41.236 -0.642 18282 8803 1 15 . 1 1 32 32 LYS N N 33 118.074 118.074 118.797 -0.723 18282 8804 1 15 . 1 1 32 32 LYS HA H 33 4.202 4.202 4.174 0.028 18282 8805 1 15 . 1 1 32 32 LYS C C 33 180.044 180.044 179.033 1.011 18282 8806 1 15 . 1 1 32 32 LYS CA C 33 59.081 59.081 58.645 0.436 18282 8807 1 15 . 1 1 32 32 LYS CB C 33 31.735 31.735 32.715 -0.980 18282 8808 1 15 . 1 1 32 32 LYS H H 33 7.189 7.189 8.247 -1.058 18282 8809 1 15 . 1 1 33 33 PHE N N 34 122.977 122.977 120.703 2.274 18282 8810 1 15 . 1 1 33 33 PHE CA C 34 60.402 60.402 61.334 -0.932 18282 8811 1 15 . 1 1 33 33 PHE H H 34 7.768 7.768 8.629 -0.861 18282 8812 1 15 . 1 1 34 34 PHE HA H 35 3.800 3.800 3.944 -0.144 18282 8813 1 15 . 1 1 34 34 PHE C C 35 176.355 176.355 176.858 -0.503 18282 8814 1 15 . 1 1 34 34 PHE CA C 35 61.813 61.813 62.050 -0.237 18282 8815 1 15 . 1 1 34 34 PHE CB C 35 37.164 37.164 39.333 -2.169 18282 8816 1 15 . 1 1 35 35 ASP N N 36 119.969 119.969 119.306 0.663 18282 8817 1 15 . 1 1 35 35 ASP C C 36 177.087 177.087 178.262 -1.175 18282 8818 1 15 . 1 1 35 35 ASP CA C 36 58.278 58.278 56.918 1.360 18282 8819 1 15 . 1 1 35 35 ASP CB C 36 39.578 39.578 39.999 -0.421 18282 8820 1 15 . 1 1 35 35 ASP H H 36 8.338 8.338 8.058 0.280 18282 8821 1 15 . 1 1 36 36 PHE N N 37 122.901 122.901 120.278 2.623 18282 8822 1 15 . 1 1 36 36 PHE C C 37 178.788 178.788 177.696 1.092 18282 8823 1 15 . 1 1 36 36 PHE CA C 37 61.416 61.416 59.828 1.589 18282 8824 1 15 . 1 1 36 36 PHE CB C 37 38.369 38.369 38.716 -0.347 18282 8825 1 15 . 1 1 36 36 PHE H H 37 7.860 7.860 7.549 0.311 18282 8826 1 15 . 1 1 37 37 VAL N N 38 122.329 122.329 113.955 8.374 18282 8827 1 15 . 1 1 37 37 VAL HA H 38 3.100 3.100 3.500 -0.400 18282 8828 1 15 . 1 1 37 37 VAL C C 38 176.147 176.147 177.519 -1.372 18282 8829 1 15 . 1 1 37 37 VAL CA C 38 67.153 67.153 65.389 1.764 18282 8830 1 15 . 1 1 37 37 VAL CB C 38 30.625 30.625 31.330 -0.705 18282 8831 1 15 . 1 1 37 37 VAL H H 38 8.451 8.451 7.575 0.876 18282 8832 1 15 . 1 1 38 38 LYS N N 39 118.837 118.837 119.539 -0.702 18282 8833 1 15 . 1 1 38 38 LYS HA H 39 3.473 3.473 3.792 -0.319 18282 8834 1 15 . 1 1 38 38 LYS C C 39 176.361 176.361 178.269 -1.908 18282 8835 1 15 . 1 1 38 38 LYS CA C 39 59.519 59.519 59.334 0.185 18282 8836 1 15 . 1 1 38 38 LYS CB C 39 31.628 31.628 32.032 -0.404 18282 8837 1 15 . 1 1 38 38 LYS H H 39 7.581 7.581 7.610 -0.029 18282 8838 1 15 . 1 1 39 39 ASP N N 40 116.210 116.210 117.799 -1.589 18282 8839 1 15 . 1 1 39 39 ASP HA H 40 4.261 4.261 4.422 -0.161 18282 8840 1 15 . 1 1 39 39 ASP CA C 40 56.580 56.580 56.549 0.031 18282 8841 1 15 . 1 1 39 39 ASP CB C 40 40.977 40.977 40.656 0.321 18282 8842 1 15 . 1 1 39 39 ASP H H 40 8.052 8.052 7.725 0.327 18282 8843 1 15 . 1 1 40 40 THR N N 41 109.215 109.215 108.244 0.971 18282 8844 1 15 . 1 1 40 40 THR C C 41 174.559 174.559 174.795 -0.236 18282 8845 1 15 . 1 1 40 40 THR H H 41 7.232 7.232 7.839 -0.607 18282 8846 1 15 . 1 1 41 41 CYS N N 42 117.927 117.927 119.595 -1.668 18282 8847 1 15 . 1 1 41 41 CYS CA C 42 55.865 55.865 58.351 -2.486 18282 8848 1 15 . 1 1 41 41 CYS CB C 42 28.500 28.500 24.904 3.596 18282 8849 1 15 . 1 1 41 41 CYS H H 42 7.197 7.197 8.361 -1.164 18282 8850 1 15 . 1 1 42 42 PRO HA H 43 3.987 3.987 3.940 0.047 18282 8851 1 15 . 1 1 42 42 PRO C C 43 176.688 176.688 177.051 -0.363 18282 8852 1 15 . 1 1 42 42 PRO CA C 43 65.206 65.206 64.156 1.050 18282 8853 1 15 . 1 1 42 42 PRO CB C 43 30.767 30.767 31.750 -0.983 18282 8854 1 15 . 1 1 43 43 TRP N N 44 113.805 113.805 117.625 -3.820 18282 8855 1 15 . 1 1 43 43 TRP HA H 44 4.361 4.361 4.431 -0.070 18282 8856 1 15 . 1 1 43 43 TRP C C 44 176.982 176.982 175.062 1.920 18282 8857 1 15 . 1 1 43 43 TRP CA C 44 61.758 61.758 58.269 3.489 18282 8858 1 15 . 1 1 43 43 TRP CB C 44 27.771 27.771 29.254 -1.483 18282 8859 1 15 . 1 1 43 43 TRP H H 44 6.632 6.632 7.802 -1.170 18282 8860 1 15 . 1 1 44 44 PHE N N 45 123.019 123.019 113.427 9.592 18282 8861 1 15 . 1 1 44 44 PHE HA H 45 4.043 4.043 4.141 -0.098 18282 8862 1 15 . 1 1 44 44 PHE CA C 45 62.990 62.990 58.155 4.835 18282 8863 1 15 . 1 1 44 44 PHE CB C 45 35.109 35.109 36.033 -0.924 18282 8864 1 15 . 1 1 44 44 PHE H H 45 7.302 7.302 6.992 0.310 18282 8865 1 15 . 1 1 45 45 PRO HA H 46 4.015 4.015 3.999 0.016 18282 8866 1 15 . 1 1 45 45 PRO C C 46 176.462 176.462 177.513 -1.051 18282 8867 1 15 . 1 1 45 45 PRO CA C 46 64.582 64.582 64.795 -0.213 18282 8868 1 15 . 1 1 45 45 PRO CB C 46 30.254 30.254 31.346 -1.092 18282 8869 1 15 . 1 1 46 46 GLN N N 47 114.404 114.404 117.334 -2.930 18282 8870 1 15 . 1 1 46 46 GLN HA H 47 3.941 3.941 4.104 -0.163 18282 8871 1 15 . 1 1 46 46 GLN C C 47 177.234 177.234 176.915 0.319 18282 8872 1 15 . 1 1 46 46 GLN CA C 47 58.328 58.328 58.385 -0.057 18282 8873 1 15 . 1 1 46 46 GLN CB C 47 28.471 28.471 28.395 0.076 18282 8874 1 15 . 1 1 46 46 GLN H H 47 6.544 6.544 8.290 -1.746 18282 8875 1 15 . 1 1 47 47 GLU N N 48 117.356 117.356 117.511 -0.155 18282 8876 1 15 . 1 1 47 47 GLU HA H 48 4.085 4.085 4.293 -0.208 18282 8877 1 15 . 1 1 47 47 GLU C C 48 179.130 179.130 176.707 2.423 18282 8878 1 15 . 1 1 47 47 GLU CA C 48 58.215 58.215 56.501 1.714 18282 8879 1 15 . 1 1 47 47 GLU CB C 48 29.247 29.247 31.757 -2.510 18282 8880 1 15 . 1 1 47 47 GLU H H 48 7.710 7.710 7.989 -0.279 18282 8881 1 15 . 1 1 48 48 GLY N N 49 105.456 105.456 108.450 -2.994 18282 8882 1 15 . 1 1 48 48 GLY C C 49 171.006 171.006 173.826 -2.820 18282 8883 1 15 . 1 1 48 48 GLY CA C 49 47.085 47.085 45.684 1.401 18282 8884 1 15 . 1 1 48 48 GLY H H 49 7.296 7.296 8.220 -0.924 18282 8885 1 15 . 1 1 49 49 THR N N 50 114.015 114.015 112.838 1.177 18282 8886 1 15 . 1 1 49 49 THR HA H 50 4.248 4.248 4.877 -0.629 18282 8887 1 15 . 1 1 49 49 THR CA C 50 61.830 61.830 59.468 2.362 18282 8888 1 15 . 1 1 49 49 THR CB C 50 70.692 70.692 71.277 -0.585 18282 8889 1 15 . 1 1 49 49 THR H H 50 7.599 7.599 7.521 0.078 18282 8890 1 15 . 1 1 50 50 ILE HA H 51 4.135 4.135 4.144 -0.009 18282 8891 1 15 . 1 1 50 50 ILE C C 51 172.608 172.608 174.820 -2.212 18282 8892 1 15 . 1 1 50 50 ILE CA C 51 59.075 59.075 61.076 -2.001 18282 8893 1 15 . 1 1 50 50 ILE CB C 51 35.416 35.416 38.968 -3.552 18282 8894 1 15 . 1 1 51 51 ASP N N 52 121.859 121.859 126.189 -4.330 18282 8895 1 15 . 1 1 51 51 ASP HA H 52 4.625 4.625 4.736 -0.111 18282 8896 1 15 . 1 1 51 51 ASP C C 52 175.770 175.770 175.558 0.212 18282 8897 1 15 . 1 1 51 51 ASP CA C 52 51.634 51.634 53.053 -1.419 18282 8898 1 15 . 1 1 51 51 ASP CB C 52 42.528 42.528 41.424 1.104 18282 8899 1 15 . 1 1 51 51 ASP H H 52 7.176 7.176 7.605 -0.429 18282 8900 1 15 . 1 1 52 52 ILE N N 53 119.549 119.549 122.119 -2.570 18282 8901 1 15 . 1 1 52 52 ILE HA H 53 4.150 4.150 4.375 -0.225 18282 8902 1 15 . 1 1 52 52 ILE C C 53 176.961 176.961 177.209 -0.248 18282 8903 1 15 . 1 1 52 52 ILE CA C 53 61.899 61.899 62.682 -0.783 18282 8904 1 15 . 1 1 52 52 ILE CB C 53 37.700 37.700 39.222 -1.522 18282 8905 1 15 . 1 1 52 52 ILE H H 53 8.777 8.777 8.639 0.138 18282 8906 1 15 . 1 1 53 53 LYS N N 54 123.515 123.515 120.897 2.618 18282 8907 1 15 . 1 1 53 53 LYS HA H 54 4.116 4.116 4.282 -0.166 18282 8908 1 15 . 1 1 53 53 LYS C C 54 180.448 180.448 178.747 1.701 18282 8909 1 15 . 1 1 53 53 LYS CA C 54 59.934 59.934 59.771 0.163 18282 8910 1 15 . 1 1 53 53 LYS CB C 54 31.875 31.875 32.049 -0.174 18282 8911 1 15 . 1 1 53 53 LYS H H 54 8.106 8.106 8.395 -0.289 18282 8912 1 15 . 1 1 54 54 ARG N N 55 120.371 120.371 120.324 0.047 18282 8913 1 15 . 1 1 54 54 ARG HA H 55 4.422 4.422 4.130 0.292 18282 8914 1 15 . 1 1 54 54 ARG C C 55 179.159 179.159 178.373 0.786 18282 8915 1 15 . 1 1 54 54 ARG CA C 55 59.726 59.726 59.212 0.514 18282 8916 1 15 . 1 1 54 54 ARG CB C 55 37.368 37.368 29.883 7.485 18282 8917 1 15 . 1 1 54 54 ARG H H 55 9.183 9.183 8.677 0.506 18282 8918 1 15 . 1 1 55 55 TRP N N 56 120.755 120.755 120.299 0.456 18282 8919 1 15 . 1 1 55 55 TRP HA H 56 4.747 4.747 4.395 0.352 18282 8920 1 15 . 1 1 55 55 TRP C C 56 179.954 179.954 177.284 2.670 18282 8921 1 15 . 1 1 55 55 TRP CA C 56 60.105 60.105 60.072 0.033 18282 8922 1 15 . 1 1 55 55 TRP CB C 56 29.997 29.997 29.315 0.682 18282 8923 1 15 . 1 1 55 55 TRP H H 56 8.927 8.927 8.537 0.390 18282 8924 1 15 . 1 1 56 56 ARG N N 57 122.194 122.194 118.661 3.533 18282 8925 1 15 . 1 1 56 56 ARG HA H 57 4.406 4.406 3.516 0.890 18282 8926 1 15 . 1 1 56 56 ARG C C 57 178.101 178.101 178.786 -0.685 18282 8927 1 15 . 1 1 56 56 ARG CA C 57 60.198 60.198 59.698 0.500 18282 8928 1 15 . 1 1 56 56 ARG CB C 57 29.585 29.585 29.713 -0.128 18282 8929 1 15 . 1 1 56 56 ARG H H 57 9.220 9.220 7.412 1.808 18282 8930 1 15 . 1 1 57 57 ARG N N 58 120.674 120.674 119.330 1.344 18282 8931 1 15 . 1 1 57 57 ARG HA H 58 4.186 4.186 3.965 0.221 18282 8932 1 15 . 1 1 57 57 ARG C C 58 179.445 179.445 178.663 0.782 18282 8933 1 15 . 1 1 57 57 ARG CA C 58 59.832 59.832 59.708 0.124 18282 8934 1 15 . 1 1 57 57 ARG CB C 58 29.753 29.753 30.088 -0.335 18282 8935 1 15 . 1 1 57 57 ARG H H 58 7.605 7.605 7.472 0.133 18282 8936 1 15 . 1 1 58 58 VAL N N 59 121.833 121.833 118.797 3.036 18282 8937 1 15 . 1 1 58 58 VAL HA H 59 3.675 3.675 3.844 -0.169 18282 8938 1 15 . 1 1 58 58 VAL C C 59 176.565 176.565 177.343 -0.778 18282 8939 1 15 . 1 1 58 58 VAL CA C 59 65.920 65.920 65.882 0.038 18282 8940 1 15 . 1 1 58 58 VAL CB C 59 30.785 30.785 31.710 -0.925 18282 8941 1 15 . 1 1 58 58 VAL H H 59 7.819 7.819 7.584 0.235 18282 8942 1 15 . 1 1 59 59 GLY N N 60 106.521 106.521 107.104 -0.583 18282 8943 1 15 . 1 1 59 59 GLY C C 60 175.923 175.923 175.750 0.173 18282 8944 1 15 . 1 1 59 59 GLY CA C 60 45.982 45.982 47.237 -1.255 18282 8945 1 15 . 1 1 59 59 GLY H H 60 7.540 7.540 8.286 -0.746 18282 8946 1 15 . 1 1 60 60 ASP N N 61 123.066 123.066 122.483 0.583 18282 8947 1 15 . 1 1 60 60 ASP HA H 61 4.261 4.261 4.525 -0.264 18282 8948 1 15 . 1 1 60 60 ASP C C 61 178.537 178.537 178.780 -0.243 18282 8949 1 15 . 1 1 60 60 ASP CA C 61 56.907 56.907 56.857 0.050 18282 8950 1 15 . 1 1 60 60 ASP CB C 61 39.654 39.654 40.377 -0.723 18282 8951 1 15 . 1 1 60 60 ASP H H 61 8.197 8.197 8.391 -0.194 18282 8952 1 15 . 1 1 61 61 CYS N N 62 121.005 121.005 119.566 1.439 18282 8953 1 15 . 1 1 61 61 CYS C C 62 177.083 177.083 176.785 0.298 18282 8954 1 15 . 1 1 61 61 CYS CA C 62 62.380 62.380 63.149 -0.769 18282 8955 1 15 . 1 1 61 61 CYS CB C 62 26.011 26.011 26.536 -0.525 18282 8956 1 15 . 1 1 61 61 CYS H H 62 7.858 7.858 7.707 0.151 18282 8957 1 15 . 1 1 62 62 PHE N N 63 119.362 119.362 118.941 0.421 18282 8958 1 15 . 1 1 62 62 PHE HA H 63 4.117 4.117 4.193 -0.076 18282 8959 1 15 . 1 1 62 62 PHE C C 63 178.081 178.081 178.201 -0.120 18282 8960 1 15 . 1 1 62 62 PHE CA C 63 57.843 57.843 62.458 -4.615 18282 8961 1 15 . 1 1 62 62 PHE CB C 63 36.605 36.605 38.324 -1.719 18282 8962 1 15 . 1 1 62 62 PHE H H 63 8.530 8.530 8.289 0.241 18282 8963 1 15 . 1 1 63 63 GLN N N 64 118.829 118.829 119.677 -0.848 18282 8964 1 15 . 1 1 63 63 GLN HA H 64 4.199 4.199 4.242 -0.043 18282 8965 1 15 . 1 1 63 63 GLN C C 64 177.645 177.645 178.304 -0.659 18282 8966 1 15 . 1 1 63 63 GLN CA C 64 59.094 59.094 59.447 -0.352 18282 8967 1 15 . 1 1 63 63 GLN CB C 64 28.337 28.337 28.557 -0.220 18282 8968 1 15 . 1 1 63 63 GLN H H 64 8.236 8.236 8.729 -0.493 18282 8969 1 15 . 1 1 64 64 ASP N N 65 120.234 120.234 120.817 -0.583 18282 8970 1 15 . 1 1 64 64 ASP HA H 65 4.481 4.481 4.317 0.164 18282 8971 1 15 . 1 1 64 64 ASP CA C 65 57.301 57.301 57.037 0.264 18282 8972 1 15 . 1 1 64 64 ASP CB C 65 40.773 40.773 40.363 0.410 18282 8973 1 15 . 1 1 64 64 ASP H H 65 8.257 8.257 8.036 0.221 18282 8974 1 15 . 1 1 65 65 TYR HA H 66 4.598 4.598 4.405 0.193 18282 8975 1 15 . 1 1 65 65 TYR C C 66 178.524 178.524 178.680 -0.156 18282 8976 1 15 . 1 1 65 65 TYR CA C 66 60.355 60.355 61.259 -0.904 18282 8977 1 15 . 1 1 65 65 TYR CB C 66 37.796 37.796 38.532 -0.736 18282 8978 1 15 . 1 1 66 66 TYR N N 67 122.741 122.741 120.867 1.874 18282 8979 1 15 . 1 1 66 66 TYR HA H 67 4.044 4.044 4.247 -0.203 18282 8980 1 15 . 1 1 66 66 TYR C C 67 178.220 178.220 177.055 1.165 18282 8981 1 15 . 1 1 66 66 TYR CA C 67 61.726 61.726 61.711 0.015 18282 8982 1 15 . 1 1 66 66 TYR CB C 67 38.932 38.932 38.830 0.102 18282 8983 1 15 . 1 1 66 66 TYR H H 67 9.083 9.083 8.911 0.172 18282 8984 1 15 . 1 1 67 67 ASN N N 68 118.530 118.530 115.832 2.698 18282 8985 1 15 . 1 1 67 67 ASN HA H 68 4.378 4.378 4.588 -0.210 18282 8986 1 15 . 1 1 67 67 ASN C C 68 176.633 176.633 178.217 -1.584 18282 8987 1 15 . 1 1 67 67 ASN CA C 68 55.293 55.293 55.715 -0.422 18282 8988 1 15 . 1 1 67 67 ASN CB C 68 37.860 37.860 38.668 -0.808 18282 8989 1 15 . 1 1 67 67 ASN H H 68 8.796 8.796 8.420 0.376 18282 8990 1 15 . 1 1 68 68 THR N N 69 114.328 114.328 113.123 1.205 18282 8991 1 15 . 1 1 68 68 THR HA H 69 3.872 3.872 4.130 -0.258 18282 8992 1 15 . 1 1 68 68 THR C C 69 174.832 174.832 175.333 -0.501 18282 8993 1 15 . 1 1 68 68 THR CA C 69 65.224 65.224 64.472 0.752 18282 8994 1 15 . 1 1 68 68 THR CB C 69 69.484 69.484 68.170 1.314 18282 8995 1 15 . 1 1 68 68 THR H H 69 7.960 7.960 7.721 0.239 18282 8996 1 15 . 1 1 69 69 PHE N N 70 118.107 118.107 119.920 -1.813 18282 8997 1 15 . 1 1 69 69 PHE HA H 70 4.626 4.626 4.773 -0.147 18282 8998 1 15 . 1 1 69 69 PHE C C 70 176.495 176.495 175.318 1.177 18282 8999 1 15 . 1 1 69 69 PHE CA C 70 58.409 58.409 57.714 0.695 18282 9000 1 15 . 1 1 69 69 PHE CB C 70 40.742 40.742 39.941 0.801 18282 9001 1 15 . 1 1 69 69 PHE H H 70 8.591 8.591 8.087 0.504 18282 9002 1 15 . 1 1 70 70 GLY N N 71 109.309 109.309 108.248 1.061 18282 9003 1 15 . 1 1 70 70 GLY CA C 71 44.684 44.684 45.458 -0.774 18282 9004 1 15 . 1 1 70 70 GLY H H 71 7.893 7.893 7.320 0.573 18282 9005 1 15 . 1 1 71 71 PRO HA H 72 4.691 4.691 4.682 0.009 18282 9006 1 15 . 1 1 71 71 PRO C C 72 177.772 177.772 176.954 0.818 18282 9007 1 15 . 1 1 71 71 PRO CA C 72 63.458 63.458 62.449 1.009 18282 9008 1 15 . 1 1 71 71 PRO CB C 72 31.823 31.823 33.112 -1.290 18282 9009 1 15 . 1 1 72 72 GLU N N 73 117.421 117.421 121.612 -4.191 18282 9010 1 15 . 1 1 72 72 GLU HA H 73 4.061 4.061 4.305 -0.244 18282 9011 1 15 . 1 1 72 72 GLU C C 73 177.236 177.236 177.323 -0.087 18282 9012 1 15 . 1 1 72 72 GLU CA C 73 58.570 58.570 58.232 0.338 18282 9013 1 15 . 1 1 72 72 GLU CB C 73 28.853 28.853 29.982 -1.129 18282 9014 1 15 . 1 1 72 72 GLU H H 73 8.595 8.595 8.558 0.037 18282 9015 1 15 . 1 1 73 73 LYS N N 74 116.846 116.846 118.146 -1.300 18282 9016 1 15 . 1 1 73 73 LYS HA H 74 4.381 4.381 4.277 0.104 18282 9017 1 15 . 1 1 73 73 LYS C C 74 175.662 175.662 175.316 0.346 18282 9018 1 15 . 1 1 73 73 LYS CA C 74 55.263 55.263 56.502 -1.238 18282 9019 1 15 . 1 1 73 73 LYS CB C 74 33.891 33.891 32.696 1.195 18282 9020 1 15 . 1 1 73 73 LYS H H 74 7.493 7.493 7.995 -0.502 18282 9021 1 15 . 1 1 74 74 VAL N N 75 118.056 118.056 118.199 -0.143 18282 9022 1 15 . 1 1 74 74 VAL HA H 75 4.423 4.423 4.067 0.356 18282 9023 1 15 . 1 1 74 74 VAL CA C 75 58.438 58.438 62.194 -3.756 18282 9024 1 15 . 1 1 74 74 VAL CB C 75 33.763 33.763 31.506 2.257 18282 9025 1 15 . 1 1 74 74 VAL H H 75 7.342 7.342 7.743 -0.401 18282 9026 1 15 . 1 1 75 75 PRO HA H 76 4.585 4.585 4.563 0.022 18282 9027 1 15 . 1 1 75 75 PRO C C 76 178.543 178.543 177.658 0.885 18282 9028 1 15 . 1 1 75 75 PRO CA C 76 61.911 61.911 63.045 -1.134 18282 9029 1 15 . 1 1 75 75 PRO CB C 76 32.035 32.035 32.394 -0.359 18282 9030 1 15 . 1 1 76 76 VAL N N 77 119.825 119.825 126.013 -6.188 18282 9031 1 15 . 1 1 76 76 VAL HA H 77 3.921 3.921 3.998 -0.077 18282 9032 1 15 . 1 1 76 76 VAL CA C 77 65.316 65.316 64.430 0.886 18282 9033 1 15 . 1 1 76 76 VAL CB C 77 31.316 31.316 31.333 -0.017 18282 9034 1 15 . 1 1 76 76 VAL H H 77 8.604 8.604 8.497 0.107 18282 9035 1 15 . 1 1 77 77 THR N N 78 109.390 109.390 114.540 -5.150 18282 9036 1 15 . 1 1 77 77 THR HA H 78 3.914 3.914 4.156 -0.242 18282 9037 1 15 . 1 1 77 77 THR C C 78 175.732 175.732 176.037 -0.305 18282 9038 1 15 . 1 1 77 77 THR CA C 78 62.803 62.803 65.779 -2.976 18282 9039 1 15 . 1 1 77 77 THR CB C 78 68.357 68.357 68.168 0.189 18282 9040 1 15 . 1 1 77 77 THR H H 78 7.380 7.380 8.416 -1.036 18282 9041 1 15 . 1 1 78 78 ALA N N 79 123.661 123.661 124.569 -0.908 18282 9042 1 15 . 1 1 78 78 ALA HA H 79 4.001 4.001 4.200 -0.199 18282 9043 1 15 . 1 1 78 78 ALA C C 79 179.527 179.527 179.060 0.467 18282 9044 1 15 . 1 1 78 78 ALA CA C 79 55.091 55.091 54.843 0.248 18282 9045 1 15 . 1 1 78 78 ALA CB C 79 17.561 17.561 18.168 -0.607 18282 9046 1 15 . 1 1 78 78 ALA H H 79 7.811 7.811 7.580 0.231 18282 9047 1 15 . 1 1 79 79 PHE N N 80 114.258 114.258 119.525 -5.267 18282 9048 1 15 . 1 1 79 79 PHE HA H 80 4.452 4.452 4.332 0.120 18282 9049 1 15 . 1 1 79 79 PHE C C 80 178.586 178.586 176.964 1.622 18282 9050 1 15 . 1 1 79 79 PHE CA C 80 61.656 61.656 60.245 1.411 18282 9051 1 15 . 1 1 79 79 PHE CB C 80 37.694 37.694 39.239 -1.545 18282 9052 1 15 . 1 1 79 79 PHE H H 80 7.306 7.306 9.117 -1.811 18282 9053 1 15 . 1 1 80 80 SER N N 81 116.865 116.865 116.196 0.669 18282 9054 1 15 . 1 1 80 80 SER CA C 81 61.824 61.824 62.261 -0.437 18282 9055 1 15 . 1 1 80 80 SER H H 81 7.733 7.733 8.145 -0.412 18282 9056 1 15 . 1 1 81 81 TYR N N 82 121.932 121.932 122.221 -0.289 18282 9057 1 15 . 1 1 81 81 TYR HA H 82 4.133 4.133 4.202 -0.069 18282 9058 1 15 . 1 1 81 81 TYR C C 82 177.701 177.701 177.781 -0.080 18282 9059 1 15 . 1 1 81 81 TYR CA C 82 60.027 60.027 61.593 -1.566 18282 9060 1 15 . 1 1 81 81 TYR CB C 82 34.104 34.104 37.992 -3.888 18282 9061 1 15 . 1 1 81 81 TYR H H 82 8.151 8.151 7.485 0.666 18282 9062 1 15 . 1 1 82 82 TRP N N 83 120.817 120.817 120.139 0.678 18282 9063 1 15 . 1 1 82 82 TRP HA H 83 4.436 4.436 4.290 0.146 18282 9064 1 15 . 1 1 82 82 TRP CA C 83 63.975 63.975 61.731 2.244 18282 9065 1 15 . 1 1 82 82 TRP CB C 83 28.557 28.557 29.371 -0.814 18282 9066 1 15 . 1 1 82 82 TRP H H 83 8.645 8.645 8.186 0.459 18282 9067 1 15 . 1 1 83 83 ASN HA H 84 4.230 4.230 4.028 0.202 18282 9068 1 15 . 1 1 83 83 ASN C C 84 176.140 176.140 177.608 -1.468 18282 9069 1 15 . 1 1 83 83 ASN CA C 84 56.683 56.683 55.942 0.741 18282 9070 1 15 . 1 1 83 83 ASN CB C 84 39.116 39.116 37.669 1.447 18282 9071 1 15 . 1 1 84 84 LEU N N 85 121.884 121.884 121.980 -0.096 18282 9072 1 15 . 1 1 84 84 LEU HA H 85 4.054 4.054 4.071 -0.017 18282 9073 1 15 . 1 1 84 84 LEU C C 85 178.369 178.369 178.399 -0.030 18282 9074 1 15 . 1 1 84 84 LEU CA C 85 58.228 58.228 57.772 0.456 18282 9075 1 15 . 1 1 84 84 LEU CB C 85 41.576 41.576 41.858 -0.282 18282 9076 1 15 . 1 1 84 84 LEU H H 85 7.751 7.751 7.863 -0.112 18282 9077 1 15 . 1 1 85 85 ILE N N 86 116.825 116.825 119.004 -2.179 18282 9078 1 15 . 1 1 85 85 ILE HA H 86 3.462 3.462 3.599 -0.137 18282 9079 1 15 . 1 1 85 85 ILE C C 86 176.809 176.809 177.821 -1.012 18282 9080 1 15 . 1 1 85 85 ILE CA C 86 61.345 61.345 65.448 -4.103 18282 9081 1 15 . 1 1 85 85 ILE CB C 86 34.099 34.099 37.701 -3.602 18282 9082 1 15 . 1 1 85 85 ILE H H 86 7.952 7.952 8.600 -0.648 18282 9083 1 15 . 1 1 86 86 LYS N N 87 121.846 121.846 120.353 1.493 18282 9084 1 15 . 1 1 86 86 LYS HA H 87 3.231 3.231 3.683 -0.452 18282 9085 1 15 . 1 1 86 86 LYS C C 87 177.221 177.221 178.150 -0.929 18282 9086 1 15 . 1 1 86 86 LYS CA C 87 60.033 60.033 59.489 0.544 18282 9087 1 15 . 1 1 86 86 LYS CB C 87 31.005 31.005 31.718 -0.713 18282 9088 1 15 . 1 1 86 86 LYS H H 87 7.876 7.876 7.678 0.198 18282 9089 1 15 . 1 1 87 87 GLU N N 88 116.331 116.331 119.310 -2.979 18282 9090 1 15 . 1 1 87 87 GLU HA H 88 3.861 3.861 4.315 -0.454 18282 9091 1 15 . 1 1 87 87 GLU C C 88 178.810 178.810 178.802 0.008 18282 9092 1 15 . 1 1 87 87 GLU CA C 88 58.949 58.949 58.103 0.846 18282 9093 1 15 . 1 1 87 87 GLU CB C 88 29.221 29.221 28.976 0.245 18282 9094 1 15 . 1 1 87 87 GLU H H 88 7.679 7.679 7.552 0.127 18282 9095 1 15 . 1 1 88 88 LEU N N 89 118.090 118.090 121.807 -3.717 18282 9096 1 15 . 1 1 88 88 LEU HA H 89 3.909 3.909 4.061 -0.152 18282 9097 1 15 . 1 1 88 88 LEU CA C 89 57.688 57.688 57.901 -0.213 18282 9098 1 15 . 1 1 88 88 LEU CB C 89 41.436 41.436 41.532 -0.096 18282 9099 1 15 . 1 1 88 88 LEU H H 89 7.441 7.441 8.123 -0.682 18282 9100 1 15 . 1 1 89 89 ILE HA H 90 3.344 3.344 3.733 -0.389 18282 9101 1 15 . 1 1 89 89 ILE CA C 90 65.082 65.082 64.407 0.674 18282 9102 1 15 . 1 1 89 89 ILE CB C 90 37.556 37.556 37.758 -0.202 18282 9103 1 15 . 1 1 90 90 ASP HA H 91 3.894 3.894 4.371 -0.477 18282 9104 1 15 . 1 1 90 90 ASP CA C 91 57.678 57.678 55.995 1.683 18282 9105 1 15 . 1 1 90 90 ASP CB C 91 40.546 40.546 40.448 0.098 18282 9106 1 15 . 1 1 91 91 LYS N N 92 119.422 119.422 119.612 -0.190 18282 9107 1 15 . 1 1 91 91 LYS CA C 92 54.600 54.600 57.106 -2.506 18282 9108 1 15 . 1 1 91 91 LYS CB C 92 32.014 32.014 32.816 -0.802 18282 9109 1 15 . 1 1 91 91 LYS H H 92 7.903 7.903 7.478 0.425 18282 9110 1 15 . 1 1 92 92 LYS HA H 93 4.541 4.541 4.016 0.525 18282 9111 1 15 . 1 1 92 92 LYS CA C 93 55.202 55.202 59.086 -3.884 18282 9112 1 15 . 1 1 92 92 LYS CB C 93 31.758 31.758 32.421 -0.663 18282 9113 1 15 . 1 1 93 93 GLU N N 94 115.922 115.922 116.280 -0.358 18282 9114 1 15 . 1 1 93 93 GLU HA H 94 4.283 4.283 4.159 0.124 18282 9115 1 15 . 1 1 93 93 GLU C C 94 175.613 175.613 177.289 -1.676 18282 9116 1 15 . 1 1 93 93 GLU CA C 94 56.296 56.296 56.778 -0.482 18282 9117 1 15 . 1 1 93 93 GLU CB C 94 29.415 29.415 29.213 0.202 18282 9118 1 15 . 1 1 93 93 GLU H H 94 8.140 8.140 8.249 -0.109 18282 9119 1 15 . 1 1 94 94 VAL N N 95 121.304 121.304 115.433 5.871 18282 9120 1 15 . 1 1 94 94 VAL HA H 95 3.773 3.773 3.535 0.238 18282 9121 1 15 . 1 1 94 94 VAL CA C 95 62.257 62.257 64.640 -2.383 18282 9122 1 15 . 1 1 94 94 VAL CB C 95 32.047 32.047 31.194 0.853 18282 9123 1 15 . 1 1 94 94 VAL H H 95 8.003 8.003 7.702 0.301 18282 9124 1 15 . 1 1 95 95 ASN H H 96 7.518 7.518 7.919 -0.401 18282 9125 1 15 . 1 1 96 96 PRO HA H 97 4.319 4.319 4.137 0.182 18282 9126 1 15 . 1 1 96 96 PRO C C 97 179.088 179.088 177.757 1.331 18282 9127 1 15 . 1 1 96 96 PRO CA C 97 64.963 64.963 65.397 -0.434 18282 9128 1 15 . 1 1 96 96 PRO CB C 97 32.035 32.035 31.650 0.385 18282 9129 1 15 . 1 1 97 97 GLN N N 98 117.793 117.793 117.645 0.148 18282 9130 1 15 . 1 1 97 97 GLN HA H 98 3.952 3.952 4.218 -0.266 18282 9131 1 15 . 1 1 97 97 GLN C C 98 179.272 179.272 177.623 1.649 18282 9132 1 15 . 1 1 97 97 GLN CA C 98 55.691 55.691 58.452 -2.761 18282 9133 1 15 . 1 1 97 97 GLN CB C 98 28.378 28.378 27.407 0.972 18282 9134 1 15 . 1 1 97 97 GLN H H 98 8.351 8.351 8.536 -0.185 18282 9135 1 15 . 1 1 98 98 VAL N N 99 121.247 121.247 120.171 1.076 18282 9136 1 15 . 1 1 98 98 VAL HA H 99 3.440 3.440 3.738 -0.298 18282 9137 1 15 . 1 1 98 98 VAL CA C 99 67.776 67.776 65.862 1.914 18282 9138 1 15 . 1 1 98 98 VAL CB C 99 31.574 31.574 31.724 -0.150 18282 9139 1 15 . 1 1 98 98 VAL H H 99 7.901 7.901 7.924 -0.023 18282 9140 1 15 . 1 1 100 100 ALA HA H 101 4.218 4.218 4.076 0.142 18282 9141 1 15 . 1 1 100 100 ALA C C 101 179.599 179.599 179.252 0.347 18282 9142 1 15 . 1 1 100 100 ALA CA C 101 54.685 54.685 54.765 -0.080 18282 9143 1 15 . 1 1 100 100 ALA CB C 101 17.562 17.562 17.843 -0.281 18282 9144 1 15 . 1 1 101 101 ALA N N 102 119.533 119.533 121.474 -1.941 18282 9145 1 15 . 1 1 101 101 ALA HA H 102 4.005 4.005 4.023 -0.018 18282 9146 1 15 . 1 1 101 101 ALA C C 102 180.970 180.970 179.343 1.627 18282 9147 1 15 . 1 1 101 101 ALA CA C 102 55.013 55.013 54.331 0.682 18282 9148 1 15 . 1 1 101 101 ALA CB C 102 17.422 17.422 18.162 -0.740 18282 9149 1 15 . 1 1 101 101 ALA H H 102 7.559 7.559 7.818 -0.259 18282 9150 1 15 . 1 1 102 102 VAL N N 103 122.669 122.669 118.114 4.555 18282 9151 1 15 . 1 1 102 102 VAL HA H 103 4.087 4.087 3.677 0.410 18282 9152 1 15 . 1 1 102 102 VAL C C 103 175.666 175.666 176.961 -1.295 18282 9153 1 15 . 1 1 102 102 VAL CA C 103 61.850 61.850 65.028 -3.178 18282 9154 1 15 . 1 1 102 102 VAL CB C 103 32.576 32.576 31.181 1.395 18282 9155 1 15 . 1 1 102 102 VAL H H 103 8.851 8.851 7.794 1.057 18282 9156 1 15 . 1 1 103 103 ALA N N 104 128.048 128.048 121.590 6.458 18282 9157 1 15 . 1 1 103 103 ALA HA H 104 4.288 4.288 4.025 0.263 18282 9158 1 15 . 1 1 103 103 ALA C C 104 177.344 177.344 178.625 -1.281 18282 9159 1 15 . 1 1 103 103 ALA CA C 104 52.194 52.194 54.254 -2.060 18282 9160 1 15 . 1 1 103 103 ALA CB C 104 19.021 19.021 18.919 0.102 18282 9161 1 15 . 1 1 103 103 ALA H H 104 8.374 8.374 7.945 0.429 18282 9162 1 15 . 1 1 104 104 GLN N N 105 120.285 120.285 117.325 2.960 18282 9163 1 15 . 1 1 104 104 GLN HA H 105 4.281 4.281 4.374 -0.093 18282 9164 1 15 . 1 1 104 104 GLN CA C 105 55.656 55.656 55.015 0.641 18282 9165 1 15 . 1 1 104 104 GLN CB C 105 32.581 32.581 27.805 4.776 18282 9166 1 15 . 1 1 104 104 GLN H H 105 8.374 8.374 7.616 0.758 18282 9167 1 15 . 1 1 105 105 THR HA H 106 4.293 4.293 4.069 0.224 18282 9168 1 15 . 1 1 105 105 THR C C 106 174.384 174.384 174.803 -0.419 18282 9169 1 15 . 1 1 105 105 THR CA C 106 61.663 61.663 64.284 -2.621 18282 9170 1 15 . 1 1 105 105 THR CB C 106 69.458 69.458 69.537 -0.079 18282 9171 1 15 . 1 1 106 106 GLU N N 107 122.744 122.744 116.641 6.103 18282 9172 1 15 . 1 1 106 106 GLU HA H 107 4.241 4.241 3.921 0.320 18282 9173 1 15 . 1 1 106 106 GLU C C 107 176.331 176.331 174.812 1.519 18282 9174 1 15 . 1 1 106 106 GLU CA C 107 56.621 56.621 57.227 -0.606 18282 9175 1 15 . 1 1 106 106 GLU CB C 107 30.004 30.004 29.662 0.342 18282 9176 1 15 . 1 1 106 106 GLU H H 107 8.415 8.415 8.450 -0.035 18282 9177 1 15 . 1 1 107 107 GLU N N 108 121.993 121.993 120.093 1.900 18282 9178 1 15 . 1 1 107 107 GLU HA H 108 4.184 4.184 4.637 -0.453 18282 9179 1 15 . 1 1 107 107 GLU C C 108 176.404 176.404 177.152 -0.748 18282 9180 1 15 . 1 1 107 107 GLU CA C 108 56.721 56.721 55.449 1.272 18282 9181 1 15 . 1 1 107 107 GLU CB C 108 29.770 29.770 30.031 -0.261 18282 9182 1 15 . 1 1 107 107 GLU H H 108 8.334 8.334 8.683 -0.349 18282 9183 1 15 . 1 1 108 108 ILE N N 109 122.204 122.204 122.969 -0.765 18282 9184 1 15 . 1 1 108 108 ILE HA H 109 4.052 4.052 3.715 0.337 18282 9185 1 15 . 1 1 108 108 ILE C C 109 176.261 176.261 176.597 -0.336 18282 9186 1 15 . 1 1 108 108 ILE CA C 109 61.245 61.245 63.818 -2.573 18282 9187 1 15 . 1 1 108 108 ILE CB C 109 38.157 38.157 37.684 0.473 18282 9188 1 15 . 1 1 108 108 ILE H H 109 8.068 8.068 8.900 -0.832 18282 9189 1 15 . 1 1 109 109 LEU N N 110 125.608 125.608 121.731 3.877 18282 9190 1 15 . 1 1 109 109 LEU HA H 110 4.295 4.295 3.955 0.340 18282 9191 1 15 . 1 1 109 109 LEU C C 110 177.275 177.275 179.016 -1.741 18282 9192 1 15 . 1 1 109 109 LEU CA C 110 55.103 55.103 57.800 -2.697 18282 9193 1 15 . 1 1 109 109 LEU CB C 110 41.929 41.929 41.315 0.614 18282 9194 1 15 . 1 1 109 109 LEU H H 110 8.187 8.187 7.766 0.421 18282 9195 1 15 . 1 1 110 110 LYS N N 111 122.154 122.154 119.276 2.878 18282 9196 1 15 . 1 1 110 110 LYS HA H 111 4.278 4.278 4.181 0.097 18282 9197 1 15 . 1 1 110 110 LYS C C 111 176.606 176.606 177.662 -1.056 18282 9198 1 15 . 1 1 110 110 LYS CA C 111 56.125 56.125 58.734 -2.609 18282 9199 1 15 . 1 1 110 110 LYS CB C 111 32.423 32.423 32.398 0.025 18282 9200 1 15 . 1 1 110 110 LYS H H 111 8.206 8.206 8.273 -0.067 18282 9201 1 15 . 1 1 111 111 SER N N 112 116.381 116.381 113.249 3.132 18282 9202 1 15 . 1 1 111 111 SER HA H 112 4.395 4.395 4.235 0.160 18282 9203 1 15 . 1 1 111 111 SER C C 112 175.168 175.168 176.693 -1.525 18282 9204 1 15 . 1 1 111 111 SER CA C 112 58.456 58.456 60.895 -2.439 18282 9205 1 15 . 1 1 111 111 SER CB C 112 63.495 63.495 63.593 -0.098 18282 9206 1 15 . 1 1 111 111 SER H H 112 8.217 8.217 7.592 0.625 18282 9207 1 15 . 1 1 112 112 ASN N N 113 119.799 119.799 118.567 1.232 18282 9208 1 15 . 1 1 112 112 ASN HA H 113 4.699 4.699 4.575 0.124 18282 9209 1 15 . 1 1 112 112 ASN C C 113 175.552 175.552 175.604 -0.052 18282 9210 1 15 . 1 1 112 112 ASN CA C 113 53.592 53.592 55.284 -1.692 18282 9211 1 15 . 1 1 112 112 ASN CB C 113 38.772 38.772 39.318 -0.546 18282 9212 1 15 . 1 1 112 112 ASN H H 113 7.950 7.950 7.874 0.076 18282 9213 1 15 . 1 1 113 113 SER N N 114 115.430 115.430 112.161 3.269 18282 9214 1 15 . 1 1 113 113 SER HA H 114 4.382 4.382 4.665 -0.283 18282 9215 1 15 . 1 1 113 113 SER C C 114 174.558 174.558 173.231 1.327 18282 9216 1 15 . 1 1 113 113 SER CA C 114 58.919 58.919 57.684 1.236 18282 9217 1 15 . 1 1 113 113 SER CB C 114 63.494 63.494 64.472 -0.978 18282 9218 1 15 . 1 1 113 113 SER H H 114 7.970 7.970 7.946 0.024 18282 9219 1 15 . 1 1 114 114 GLN N N 115 121.973 121.973 126.127 -4.154 18282 9220 1 15 . 1 1 114 114 GLN HA H 115 4.347 4.347 4.291 0.056 18282 9221 1 15 . 1 1 114 114 GLN C C 115 176.246 176.246 176.808 -0.562 18282 9222 1 15 . 1 1 114 114 GLN CA C 115 56.036 56.036 57.636 -1.600 18282 9223 1 15 . 1 1 114 114 GLN CB C 115 29.196 29.196 28.695 0.501 18282 9224 1 15 . 1 1 114 114 GLN H H 115 8.382 8.382 8.675 -0.293 18282 9225 1 15 . 1 1 115 115 THR N N 116 114.701 114.701 115.550 -0.849 18282 9226 1 15 . 1 1 115 115 THR HA H 116 4.238 4.238 3.963 0.275 18282 9227 1 15 . 1 1 115 115 THR C C 116 174.276 174.276 175.880 -1.604 18282 9228 1 15 . 1 1 115 115 THR CA C 116 62.221 62.221 66.758 -4.537 18282 9229 1 15 . 1 1 115 115 THR CB C 116 69.405 69.405 68.523 0.882 18282 9230 1 15 . 1 1 115 115 THR H H 116 8.070 8.070 7.527 0.543 18282 9231 1 15 . 1 1 116 116 ASP N N 117 122.566 122.566 119.872 2.694 18282 9232 1 15 . 1 1 116 116 ASP HA H 117 4.575 4.575 4.492 0.083 18282 9233 1 15 . 1 1 116 116 ASP C C 117 176.241 176.241 176.114 0.127 18282 9234 1 15 . 1 1 116 116 ASP CA C 117 54.286 54.286 56.343 -2.057 18282 9235 1 15 . 1 1 116 116 ASP CB C 117 40.609 40.609 41.034 -0.425 18282 9236 1 15 . 1 1 116 116 ASP H H 117 8.288 8.288 8.390 -0.102 18282 9237 1 15 . 1 1 117 117 LEU N N 118 122.118 122.118 120.077 2.041 18282 9238 1 15 . 1 1 117 117 LEU HA H 118 4.163 4.163 4.585 -0.422 18282 9239 1 15 . 1 1 117 117 LEU C C 118 177.637 177.637 176.086 1.551 18282 9240 1 15 . 1 1 117 117 LEU CA C 118 55.475 55.475 54.430 1.045 18282 9241 1 15 . 1 1 117 117 LEU CB C 118 41.964 41.964 42.829 -0.865 18282 9242 1 15 . 1 1 117 117 LEU H H 118 8.088 8.088 7.584 0.504 18282 9243 1 15 . 1 1 118 118 GLU N N 119 119.527 119.527 123.140 -3.613 18282 9244 1 15 . 1 1 118 118 GLU HA H 119 4.086 4.086 4.023 0.063 18282 9245 1 15 . 1 1 118 118 GLU C C 119 176.265 176.265 175.465 0.800 18282 9246 1 15 . 1 1 118 118 GLU CA C 119 56.569 56.569 58.394 -1.825 18282 9247 1 15 . 1 1 118 118 GLU CB C 119 29.486 29.486 30.061 -0.575 18282 9248 1 15 . 1 1 118 118 GLU H H 119 8.134 8.134 8.720 -0.586 18282 9249 1 15 . 1 1 119 119 HIS N N 120 118.076 118.076 115.292 2.784 18282 9250 1 15 . 1 1 119 119 HIS HA H 120 4.485 4.485 4.621 -0.136 18282 9251 1 15 . 1 1 119 119 HIS CA C 120 55.422 55.422 54.967 0.455 18282 9252 1 15 . 1 1 119 119 HIS CB C 120 28.628 28.628 31.813 -3.185 18282 9253 1 15 . 1 1 119 119 HIS H H 120 8.134 8.134 7.750 0.384 18282 9254 1 15 . 1 1 120 120 HIS N N 121 119.323 119.323 121.268 -1.945 18282 9255 1 15 . 1 1 120 120 HIS HA H 121 4.242 4.242 4.632 -0.390 18282 9256 1 15 . 1 1 120 120 HIS CA C 121 56.732 56.732 56.756 -0.024 18282 9257 1 15 . 1 1 120 120 HIS H H 121 8.372 8.372 8.444 -0.072 18282 9258 1 15 . 1 1 121 121 HIS N N 122 126.032 126.032 123.283 2.749 18282 9259 1 15 . 1 1 121 121 HIS CA C 122 57.036 57.036 58.194 -1.158 18282 9260 1 15 . 1 1 121 121 HIS CB C 122 29.923 29.923 30.147 -0.224 18282 9261 1 15 . 1 1 121 121 HIS H H 122 7.900 7.900 8.703 -0.803 18282 9262 1 15 . 1 1 122 122 HIS N N 123 121.012 121.012 116.453 4.559 18282 9263 1 15 . 1 1 122 122 HIS HA H 123 4.595 4.595 4.642 -0.047 18282 9264 1 15 . 1 1 122 122 HIS CA C 123 55.372 55.372 55.633 -0.261 18282 9265 1 15 . 1 1 122 122 HIS CB C 123 29.165 29.165 30.255 -1.090 18282 9266 1 15 . 1 1 122 122 HIS H H 123 8.595 8.595 7.968 0.627 18282 9267 1 15 . 1 1 123 123 HIS N N 124 120.343 120.343 125.271 -4.928 18282 9268 1 15 . 1 1 123 123 HIS CA C 124 57.380 57.380 58.426 -1.046 18282 9269 1 15 . 1 1 123 123 HIS CB C 124 35.491 35.491 30.339 5.152 18282 9270 1 15 . 1 1 123 123 HIS H H 124 8.558 8.558 8.989 -0.431 18282 9271 1 16 . 1 1 2 2 GLN N N 3 122.228 122.228 120.693 1.535 18282 9272 1 16 . 1 1 2 2 GLN HA H 3 3.896 3.896 4.095 -0.199 18282 9273 1 16 . 1 1 2 2 GLN C C 3 178.672 178.672 177.894 0.778 18282 9274 1 16 . 1 1 2 2 GLN CA C 3 58.794 58.794 57.870 0.924 18282 9275 1 16 . 1 1 2 2 GLN H H 3 9.310 9.310 8.561 0.749 18282 9276 1 16 . 1 1 3 3 GLU N N 4 119.529 119.529 119.589 -0.060 18282 9277 1 16 . 1 1 3 3 GLU C C 4 175.504 175.504 178.665 -3.161 18282 9278 1 16 . 1 1 3 3 GLU CA C 4 59.561 59.561 58.181 1.381 18282 9279 1 16 . 1 1 3 3 GLU CB C 4 28.876 28.876 28.677 0.199 18282 9280 1 16 . 1 1 3 3 GLU H H 4 8.489 8.489 8.734 -0.245 18282 9281 1 16 . 1 1 4 4 LEU N N 5 114.832 114.832 121.732 -6.900 18282 9282 1 16 . 1 1 4 4 LEU HA H 5 3.716 3.716 3.952 -0.236 18282 9283 1 16 . 1 1 4 4 LEU C C 5 178.276 178.276 178.013 0.263 18282 9284 1 16 . 1 1 4 4 LEU CA C 5 57.813 57.813 57.773 0.041 18282 9285 1 16 . 1 1 4 4 LEU CB C 5 40.844 40.844 41.679 -0.835 18282 9286 1 16 . 1 1 4 4 LEU H H 5 8.210 8.210 7.853 0.357 18282 9287 1 16 . 1 1 5 5 SER N N 6 109.726 109.726 114.629 -4.903 18282 9288 1 16 . 1 1 5 5 SER HA H 6 4.127 4.127 4.058 0.069 18282 9289 1 16 . 1 1 5 5 SER C C 6 178.508 178.508 176.854 1.654 18282 9290 1 16 . 1 1 5 5 SER CA C 6 60.401 60.401 62.161 -1.760 18282 9291 1 16 . 1 1 5 5 SER CB C 6 63.535 63.535 62.904 0.631 18282 9292 1 16 . 1 1 5 5 SER H H 6 8.247 8.247 7.922 0.325 18282 9293 1 16 . 1 1 6 6 GLN N N 7 117.203 117.203 119.663 -2.460 18282 9294 1 16 . 1 1 6 6 GLN HA H 7 4.026 4.026 4.045 -0.019 18282 9295 1 16 . 1 1 6 6 GLN CA C 7 58.474 58.474 58.839 -0.365 18282 9296 1 16 . 1 1 6 6 GLN H H 7 8.719 8.719 8.585 0.134 18282 9297 1 16 . 1 1 7 7 HIS C C 8 178.622 178.622 177.401 1.221 18282 9298 1 16 . 1 1 8 8 GLU N N 9 120.357 120.357 118.793 1.564 18282 9299 1 16 . 1 1 8 8 GLU HA H 9 3.969 3.969 3.969 -0.000 18282 9300 1 16 . 1 1 8 8 GLU C C 9 178.408 178.408 179.206 -0.798 18282 9301 1 16 . 1 1 8 8 GLU CA C 9 58.244 58.244 59.623 -1.379 18282 9302 1 16 . 1 1 8 8 GLU CB C 9 29.013 29.013 29.476 -0.463 18282 9303 1 16 . 1 1 8 8 GLU H H 9 7.701 7.701 7.912 -0.211 18282 9304 1 16 . 1 1 9 9 ARG N N 10 118.791 118.791 118.914 -0.123 18282 9305 1 16 . 1 1 9 9 ARG HA H 10 4.124 4.124 4.016 0.108 18282 9306 1 16 . 1 1 9 9 ARG C C 10 178.599 178.599 178.441 0.158 18282 9307 1 16 . 1 1 9 9 ARG CA C 10 58.633 58.633 59.287 -0.654 18282 9308 1 16 . 1 1 9 9 ARG CB C 10 29.005 29.005 30.201 -1.196 18282 9309 1 16 . 1 1 9 9 ARG H H 10 8.910 8.910 7.657 1.253 18282 9310 1 16 . 1 1 10 10 TYR N N 11 121.239 121.239 120.866 0.373 18282 9311 1 16 . 1 1 10 10 TYR HA H 11 4.186 4.186 4.078 0.108 18282 9312 1 16 . 1 1 10 10 TYR C C 11 176.644 176.644 177.645 -1.001 18282 9313 1 16 . 1 1 10 10 TYR CA C 11 61.311 61.311 61.840 -0.529 18282 9314 1 16 . 1 1 10 10 TYR CB C 11 37.956 37.956 38.195 -0.239 18282 9315 1 16 . 1 1 10 10 TYR H H 11 7.562 7.562 8.396 -0.834 18282 9316 1 16 . 1 1 11 11 VAL N N 12 119.249 119.249 118.226 1.023 18282 9317 1 16 . 1 1 11 11 VAL HA H 12 3.119 3.119 3.529 -0.410 18282 9318 1 16 . 1 1 11 11 VAL C C 12 177.275 177.275 178.328 -1.053 18282 9319 1 16 . 1 1 11 11 VAL CA C 12 66.925 66.925 66.457 0.468 18282 9320 1 16 . 1 1 11 11 VAL CB C 12 30.981 30.981 31.354 -0.373 18282 9321 1 16 . 1 1 11 11 VAL H H 12 8.087 8.087 7.367 0.720 18282 9322 1 16 . 1 1 12 12 GLU N N 13 119.569 119.569 119.622 -0.053 18282 9323 1 16 . 1 1 12 12 GLU HA H 13 4.213 4.213 3.887 0.326 18282 9324 1 16 . 1 1 12 12 GLU C C 13 175.207 175.207 178.481 -3.274 18282 9325 1 16 . 1 1 12 12 GLU CA C 13 55.971 55.971 59.082 -3.111 18282 9326 1 16 . 1 1 12 12 GLU CB C 13 28.439 28.439 29.554 -1.115 18282 9327 1 16 . 1 1 12 12 GLU H H 13 8.312 8.312 7.568 0.744 18282 9328 1 16 . 1 1 13 13 GLN N N 14 119.375 119.375 120.185 -0.810 18282 9329 1 16 . 1 1 13 13 GLN HA H 14 3.657 3.657 4.109 -0.452 18282 9330 1 16 . 1 1 13 13 GLN CA C 14 54.294 54.294 58.273 -3.979 18282 9331 1 16 . 1 1 13 13 GLN CB C 14 29.681 29.681 28.306 1.375 18282 9332 1 16 . 1 1 13 13 GLN H H 14 7.690 7.690 8.681 -0.991 18282 9333 1 16 . 1 1 14 14 LEU HA H 15 3.865 3.865 3.705 0.160 18282 9334 1 16 . 1 1 14 14 LEU CA C 15 58.177 58.177 57.264 0.913 18282 9335 1 16 . 1 1 14 14 LEU CB C 15 40.693 40.693 40.776 -0.083 18282 9336 1 16 . 1 1 15 15 LYS HA H 16 3.737 3.737 3.861 -0.124 18282 9337 1 16 . 1 1 15 15 LYS C C 16 177.817 177.817 179.501 -1.684 18282 9338 1 16 . 1 1 15 15 LYS CA C 16 60.352 60.352 59.343 1.009 18282 9339 1 16 . 1 1 15 15 LYS CB C 16 32.106 32.106 32.004 0.102 18282 9340 1 16 . 1 1 16 16 GLN N N 17 117.498 117.498 118.533 -1.035 18282 9341 1 16 . 1 1 16 16 GLN HA H 17 3.864 3.864 4.012 -0.148 18282 9342 1 16 . 1 1 16 16 GLN CA C 17 58.307 58.307 58.320 -0.013 18282 9343 1 16 . 1 1 16 16 GLN CB C 17 27.788 27.788 28.591 -0.803 18282 9344 1 16 . 1 1 16 16 GLN H H 17 7.862 7.862 7.615 0.247 18282 9345 1 16 . 1 1 17 17 ALA HA H 18 3.793 3.793 3.984 -0.191 18282 9346 1 16 . 1 1 17 17 ALA C C 18 179.147 179.147 179.212 -0.065 18282 9347 1 16 . 1 1 17 17 ALA CA C 18 54.792 54.792 54.756 0.036 18282 9348 1 16 . 1 1 17 17 ALA CB C 18 17.693 17.693 18.203 -0.510 18282 9349 1 16 . 1 1 18 18 LEU N N 19 117.278 117.278 117.470 -0.192 18282 9350 1 16 . 1 1 18 18 LEU HA H 19 3.784 3.784 3.916 -0.132 18282 9351 1 16 . 1 1 18 18 LEU C C 19 174.935 174.935 178.362 -3.427 18282 9352 1 16 . 1 1 18 18 LEU CA C 19 57.731 57.731 56.619 1.112 18282 9353 1 16 . 1 1 18 18 LEU CB C 19 40.703 40.703 41.640 -0.937 18282 9354 1 16 . 1 1 18 18 LEU H H 19 8.168 8.168 7.380 0.788 18282 9355 1 16 . 1 1 19 19 LYS N N 20 118.025 118.025 120.411 -2.386 18282 9356 1 16 . 1 1 19 19 LYS C C 20 177.982 177.982 179.069 -1.087 18282 9357 1 16 . 1 1 19 19 LYS CA C 20 60.439 60.439 59.282 1.157 18282 9358 1 16 . 1 1 19 19 LYS H H 20 8.345 8.345 7.527 0.818 18282 9359 1 16 . 1 1 20 20 THR N N 21 116.345 116.345 111.809 4.536 18282 9360 1 16 . 1 1 20 20 THR HA H 21 4.126 4.126 4.170 -0.044 18282 9361 1 16 . 1 1 20 20 THR C C 21 175.469 175.469 175.872 -0.403 18282 9362 1 16 . 1 1 20 20 THR CA C 21 64.643 64.643 63.688 0.955 18282 9363 1 16 . 1 1 20 20 THR CB C 21 68.652 68.652 68.694 -0.042 18282 9364 1 16 . 1 1 20 20 THR H H 21 7.896 7.896 7.600 0.296 18282 9365 1 16 . 1 1 21 21 ARG N N 22 118.792 118.792 120.380 -1.588 18282 9366 1 16 . 1 1 21 21 ARG HA H 22 4.375 4.375 4.230 0.145 18282 9367 1 16 . 1 1 21 21 ARG C C 22 176.364 176.364 176.704 -0.340 18282 9368 1 16 . 1 1 21 21 ARG CA C 22 54.157 54.157 55.037 -0.880 18282 9369 1 16 . 1 1 21 21 ARG CB C 22 29.453 29.453 28.855 0.598 18282 9370 1 16 . 1 1 21 21 ARG H H 22 7.317 7.317 7.817 -0.500 18282 9371 1 16 . 1 1 22 22 GLY N N 23 108.428 108.428 106.477 1.951 18282 9372 1 16 . 1 1 22 22 GLY C C 23 174.154 174.154 174.051 0.103 18282 9373 1 16 . 1 1 22 22 GLY CA C 23 45.953 45.953 45.284 0.669 18282 9374 1 16 . 1 1 22 22 GLY H H 23 7.881 7.881 7.771 0.110 18282 9375 1 16 . 1 1 23 23 VAL N N 24 117.319 117.319 118.420 -1.101 18282 9376 1 16 . 1 1 23 23 VAL HA H 24 4.036 4.036 4.259 -0.223 18282 9377 1 16 . 1 1 23 23 VAL C C 24 175.601 175.601 174.963 0.638 18282 9378 1 16 . 1 1 23 23 VAL CA C 24 61.635 61.635 60.292 1.343 18282 9379 1 16 . 1 1 23 23 VAL CB C 24 32.589 32.589 34.227 -1.638 18282 9380 1 16 . 1 1 23 23 VAL H H 24 7.431 7.431 7.166 0.265 18282 9381 1 16 . 1 1 24 24 LYS N N 25 127.424 127.424 122.982 4.442 18282 9382 1 16 . 1 1 24 24 LYS HA H 25 4.336 4.336 4.618 -0.282 18282 9383 1 16 . 1 1 24 24 LYS C C 25 175.550 175.550 174.872 0.678 18282 9384 1 16 . 1 1 24 24 LYS CA C 25 55.811 55.811 55.574 0.237 18282 9385 1 16 . 1 1 24 24 LYS CB C 25 32.269 32.269 33.892 -1.623 18282 9386 1 16 . 1 1 24 24 LYS H H 25 8.665 8.665 8.403 0.262 18282 9387 1 16 . 1 1 25 25 VAL N N 26 120.764 120.764 120.321 0.443 18282 9388 1 16 . 1 1 25 25 VAL HA H 26 4.140 4.140 4.497 -0.357 18282 9389 1 16 . 1 1 25 25 VAL C C 26 174.206 174.206 174.717 -0.511 18282 9390 1 16 . 1 1 25 25 VAL CA C 26 60.316 60.316 59.732 0.584 18282 9391 1 16 . 1 1 25 25 VAL CB C 26 33.920 33.920 32.933 0.987 18282 9392 1 16 . 1 1 25 25 VAL H H 26 7.545 7.545 8.271 -0.726 18282 9393 1 16 . 1 1 26 26 LYS N N 27 125.707 125.707 125.876 -0.169 18282 9394 1 16 . 1 1 26 26 LYS HA H 27 4.115 4.115 4.489 -0.374 18282 9395 1 16 . 1 1 26 26 LYS CA C 27 55.211 55.211 53.992 1.220 18282 9396 1 16 . 1 1 26 26 LYS CB C 27 31.930 31.930 35.893 -3.963 18282 9397 1 16 . 1 1 26 26 LYS H H 27 8.608 8.608 8.235 0.373 18282 9398 1 16 . 1 1 27 27 TYR CA C 28 56.418 56.418 61.850 -5.433 18282 9399 1 16 . 1 1 27 27 TYR CB C 28 37.036 37.036 37.374 -0.338 18282 9400 1 16 . 1 1 28 28 ALA N N 29 120.712 120.712 121.109 -0.397 18282 9401 1 16 . 1 1 28 28 ALA HA H 29 3.712 3.712 4.069 -0.357 18282 9402 1 16 . 1 1 28 28 ALA C C 29 180.210 180.210 179.771 0.439 18282 9403 1 16 . 1 1 28 28 ALA CA C 29 54.911 54.911 54.637 0.274 18282 9404 1 16 . 1 1 28 28 ALA CB C 29 18.034 18.034 17.617 0.417 18282 9405 1 16 . 1 1 28 28 ALA H H 29 8.326 8.326 8.311 0.015 18282 9406 1 16 . 1 1 29 29 ASP N N 30 117.166 117.166 119.528 -2.362 18282 9407 1 16 . 1 1 29 29 ASP HA H 30 4.379 4.379 4.457 -0.078 18282 9408 1 16 . 1 1 29 29 ASP C C 30 178.427 178.427 178.585 -0.158 18282 9409 1 16 . 1 1 29 29 ASP CA C 30 56.459 56.459 57.718 -1.260 18282 9410 1 16 . 1 1 29 29 ASP CB C 30 39.962 39.962 40.369 -0.407 18282 9411 1 16 . 1 1 29 29 ASP H H 30 6.913 6.913 8.881 -1.968 18282 9412 1 16 . 1 1 30 30 LEU N N 31 123.105 123.105 120.170 2.935 18282 9413 1 16 . 1 1 30 30 LEU HA H 31 3.491 3.491 4.286 -0.795 18282 9414 1 16 . 1 1 30 30 LEU CA C 31 56.841 56.841 58.225 -1.384 18282 9415 1 16 . 1 1 30 30 LEU CB C 31 40.888 40.888 42.108 -1.220 18282 9416 1 16 . 1 1 30 30 LEU H H 31 7.543 7.543 7.594 -0.051 18282 9417 1 16 . 1 1 31 31 LEU HA H 32 3.611 3.611 3.965 -0.354 18282 9418 1 16 . 1 1 31 31 LEU C C 32 179.120 179.120 179.470 -0.350 18282 9419 1 16 . 1 1 31 31 LEU CA C 32 58.103 58.103 58.103 0.000 18282 9420 1 16 . 1 1 31 31 LEU CB C 32 40.594 40.594 41.232 -0.638 18282 9421 1 16 . 1 1 32 32 LYS N N 33 118.074 118.074 119.349 -1.275 18282 9422 1 16 . 1 1 32 32 LYS HA H 33 4.202 4.202 4.211 -0.009 18282 9423 1 16 . 1 1 32 32 LYS C C 33 180.044 180.044 179.082 0.962 18282 9424 1 16 . 1 1 32 32 LYS CA C 33 59.081 59.081 59.168 -0.087 18282 9425 1 16 . 1 1 32 32 LYS CB C 33 31.735 31.735 32.900 -1.165 18282 9426 1 16 . 1 1 32 32 LYS H H 33 7.189 7.189 7.982 -0.793 18282 9427 1 16 . 1 1 33 33 PHE N N 34 122.977 122.977 121.094 1.883 18282 9428 1 16 . 1 1 33 33 PHE CA C 34 60.402 60.402 62.036 -1.634 18282 9429 1 16 . 1 1 33 33 PHE H H 34 7.768 7.768 9.023 -1.255 18282 9430 1 16 . 1 1 34 34 PHE HA H 35 3.800 3.800 4.092 -0.292 18282 9431 1 16 . 1 1 34 34 PHE C C 35 176.355 176.355 177.455 -1.100 18282 9432 1 16 . 1 1 34 34 PHE CA C 35 61.813 61.813 61.821 -0.007 18282 9433 1 16 . 1 1 34 34 PHE CB C 35 37.164 37.164 39.098 -1.934 18282 9434 1 16 . 1 1 35 35 ASP N N 36 119.969 119.969 119.851 0.118 18282 9435 1 16 . 1 1 35 35 ASP C C 36 177.087 177.087 178.715 -1.628 18282 9436 1 16 . 1 1 35 35 ASP CA C 36 58.278 58.278 56.609 1.669 18282 9437 1 16 . 1 1 35 35 ASP CB C 36 39.578 39.578 40.827 -1.248 18282 9438 1 16 . 1 1 35 35 ASP H H 36 8.338 8.338 7.943 0.395 18282 9439 1 16 . 1 1 36 36 PHE N N 37 122.901 122.901 120.993 1.908 18282 9440 1 16 . 1 1 36 36 PHE C C 37 178.788 178.788 177.089 1.699 18282 9441 1 16 . 1 1 36 36 PHE CA C 37 61.416 61.416 60.245 1.171 18282 9442 1 16 . 1 1 36 36 PHE CB C 37 38.369 38.369 39.030 -0.661 18282 9443 1 16 . 1 1 36 36 PHE H H 37 7.860 7.860 8.350 -0.490 18282 9444 1 16 . 1 1 37 37 VAL N N 38 122.329 122.329 114.021 8.308 18282 9445 1 16 . 1 1 37 37 VAL HA H 38 3.100 3.100 3.079 0.021 18282 9446 1 16 . 1 1 37 37 VAL C C 38 176.147 176.147 177.399 -1.252 18282 9447 1 16 . 1 1 37 37 VAL CA C 38 67.153 67.153 64.949 2.204 18282 9448 1 16 . 1 1 37 37 VAL CB C 38 30.625 30.625 31.284 -0.659 18282 9449 1 16 . 1 1 37 37 VAL H H 38 8.451 8.451 7.811 0.640 18282 9450 1 16 . 1 1 38 38 LYS N N 39 118.837 118.837 119.830 -0.993 18282 9451 1 16 . 1 1 38 38 LYS HA H 39 3.473 3.473 3.796 -0.323 18282 9452 1 16 . 1 1 38 38 LYS C C 39 176.361 176.361 178.060 -1.699 18282 9453 1 16 . 1 1 38 38 LYS CA C 39 59.519 59.519 59.402 0.117 18282 9454 1 16 . 1 1 38 38 LYS CB C 39 31.628 31.628 32.070 -0.442 18282 9455 1 16 . 1 1 38 38 LYS H H 39 7.581 7.581 7.555 0.026 18282 9456 1 16 . 1 1 39 39 ASP N N 40 116.210 116.210 118.314 -2.104 18282 9457 1 16 . 1 1 39 39 ASP HA H 40 4.261 4.261 4.443 -0.182 18282 9458 1 16 . 1 1 39 39 ASP CA C 40 56.580 56.580 56.663 -0.083 18282 9459 1 16 . 1 1 39 39 ASP CB C 40 40.977 40.977 41.006 -0.029 18282 9460 1 16 . 1 1 39 39 ASP H H 40 8.052 8.052 7.661 0.391 18282 9461 1 16 . 1 1 40 40 THR N N 41 109.215 109.215 108.167 1.048 18282 9462 1 16 . 1 1 40 40 THR C C 41 174.559 174.559 174.519 0.040 18282 9463 1 16 . 1 1 40 40 THR H H 41 7.232 7.232 7.567 -0.335 18282 9464 1 16 . 1 1 41 41 CYS N N 42 117.927 117.927 119.688 -1.761 18282 9465 1 16 . 1 1 41 41 CYS CA C 42 55.865 55.865 58.389 -2.524 18282 9466 1 16 . 1 1 41 41 CYS CB C 42 28.500 28.500 25.627 2.873 18282 9467 1 16 . 1 1 41 41 CYS H H 42 7.197 7.197 8.397 -1.200 18282 9468 1 16 . 1 1 42 42 PRO HA H 43 3.987 3.987 3.797 0.190 18282 9469 1 16 . 1 1 42 42 PRO C C 43 176.688 176.688 176.325 0.363 18282 9470 1 16 . 1 1 42 42 PRO CA C 43 65.206 65.206 64.229 0.977 18282 9471 1 16 . 1 1 42 42 PRO CB C 43 30.767 30.767 31.597 -0.830 18282 9472 1 16 . 1 1 43 43 TRP N N 44 113.805 113.805 114.255 -0.450 18282 9473 1 16 . 1 1 43 43 TRP HA H 44 4.361 4.361 4.560 -0.199 18282 9474 1 16 . 1 1 43 43 TRP C C 44 176.982 176.982 175.699 1.283 18282 9475 1 16 . 1 1 43 43 TRP CA C 44 61.758 61.758 57.038 4.721 18282 9476 1 16 . 1 1 43 43 TRP CB C 44 27.771 27.771 28.710 -0.939 18282 9477 1 16 . 1 1 43 43 TRP H H 44 6.632 6.632 7.810 -1.178 18282 9478 1 16 . 1 1 44 44 PHE N N 45 123.019 123.019 113.755 9.264 18282 9479 1 16 . 1 1 44 44 PHE HA H 45 4.043 4.043 4.171 -0.128 18282 9480 1 16 . 1 1 44 44 PHE CA C 45 62.990 62.990 58.107 4.883 18282 9481 1 16 . 1 1 44 44 PHE CB C 45 35.109 35.109 35.821 -0.712 18282 9482 1 16 . 1 1 44 44 PHE H H 45 7.302 7.302 7.173 0.129 18282 9483 1 16 . 1 1 45 45 PRO HA H 46 4.015 4.015 3.927 0.088 18282 9484 1 16 . 1 1 45 45 PRO C C 46 176.462 176.462 177.337 -0.875 18282 9485 1 16 . 1 1 45 45 PRO CA C 46 64.582 64.582 64.764 -0.182 18282 9486 1 16 . 1 1 45 45 PRO CB C 46 30.254 30.254 31.253 -0.999 18282 9487 1 16 . 1 1 46 46 GLN N N 47 114.404 114.404 116.398 -1.994 18282 9488 1 16 . 1 1 46 46 GLN HA H 47 3.941 3.941 3.913 0.028 18282 9489 1 16 . 1 1 46 46 GLN C C 47 177.234 177.234 177.015 0.219 18282 9490 1 16 . 1 1 46 46 GLN CA C 47 58.328 58.328 58.740 -0.412 18282 9491 1 16 . 1 1 46 46 GLN CB C 47 28.471 28.471 28.350 0.121 18282 9492 1 16 . 1 1 46 46 GLN H H 47 6.544 6.544 8.239 -1.695 18282 9493 1 16 . 1 1 47 47 GLU N N 48 117.356 117.356 116.942 0.414 18282 9494 1 16 . 1 1 47 47 GLU HA H 48 4.085 4.085 4.236 -0.151 18282 9495 1 16 . 1 1 47 47 GLU C C 48 179.130 179.130 176.840 2.290 18282 9496 1 16 . 1 1 47 47 GLU CA C 48 58.215 58.215 55.882 2.333 18282 9497 1 16 . 1 1 47 47 GLU CB C 48 29.247 29.247 31.155 -1.908 18282 9498 1 16 . 1 1 47 47 GLU H H 48 7.710 7.710 7.877 -0.167 18282 9499 1 16 . 1 1 48 48 GLY N N 49 105.456 105.456 108.973 -3.517 18282 9500 1 16 . 1 1 48 48 GLY C C 49 171.006 171.006 173.275 -2.269 18282 9501 1 16 . 1 1 48 48 GLY CA C 49 47.085 47.085 45.317 1.768 18282 9502 1 16 . 1 1 48 48 GLY H H 49 7.296 7.296 7.853 -0.557 18282 9503 1 16 . 1 1 49 49 THR N N 50 114.015 114.015 114.426 -0.411 18282 9504 1 16 . 1 1 49 49 THR HA H 50 4.248 4.248 4.630 -0.382 18282 9505 1 16 . 1 1 49 49 THR CA C 50 61.830 61.830 59.443 2.387 18282 9506 1 16 . 1 1 49 49 THR CB C 50 70.692 70.692 71.285 -0.593 18282 9507 1 16 . 1 1 49 49 THR H H 50 7.599 7.599 7.431 0.168 18282 9508 1 16 . 1 1 50 50 ILE HA H 51 4.135 4.135 4.505 -0.370 18282 9509 1 16 . 1 1 50 50 ILE C C 51 172.608 172.608 174.686 -2.078 18282 9510 1 16 . 1 1 50 50 ILE CA C 51 59.075 59.075 61.045 -1.970 18282 9511 1 16 . 1 1 50 50 ILE CB C 51 35.416 35.416 39.823 -4.407 18282 9512 1 16 . 1 1 51 51 ASP N N 52 121.859 121.859 125.589 -3.730 18282 9513 1 16 . 1 1 51 51 ASP HA H 52 4.625 4.625 4.981 -0.356 18282 9514 1 16 . 1 1 51 51 ASP C C 52 175.770 175.770 175.583 0.187 18282 9515 1 16 . 1 1 51 51 ASP CA C 52 51.634 51.634 53.319 -1.685 18282 9516 1 16 . 1 1 51 51 ASP CB C 52 42.528 42.528 42.407 0.121 18282 9517 1 16 . 1 1 51 51 ASP H H 52 7.176 7.176 9.433 -2.257 18282 9518 1 16 . 1 1 52 52 ILE N N 53 119.549 119.549 123.182 -3.633 18282 9519 1 16 . 1 1 52 52 ILE HA H 53 4.150 4.150 4.382 -0.232 18282 9520 1 16 . 1 1 52 52 ILE C C 53 176.961 176.961 177.573 -0.612 18282 9521 1 16 . 1 1 52 52 ILE CA C 53 61.899 61.899 62.790 -0.891 18282 9522 1 16 . 1 1 52 52 ILE CB C 53 37.700 37.700 38.764 -1.064 18282 9523 1 16 . 1 1 52 52 ILE H H 53 8.777 8.777 8.704 0.073 18282 9524 1 16 . 1 1 53 53 LYS N N 54 123.515 123.515 121.347 2.168 18282 9525 1 16 . 1 1 53 53 LYS HA H 54 4.116 4.116 4.236 -0.120 18282 9526 1 16 . 1 1 53 53 LYS C C 54 180.448 180.448 178.631 1.817 18282 9527 1 16 . 1 1 53 53 LYS CA C 54 59.934 59.934 59.349 0.585 18282 9528 1 16 . 1 1 53 53 LYS CB C 54 31.875 31.875 32.335 -0.460 18282 9529 1 16 . 1 1 53 53 LYS H H 54 8.106 8.106 8.406 -0.300 18282 9530 1 16 . 1 1 54 54 ARG N N 55 120.371 120.371 119.510 0.861 18282 9531 1 16 . 1 1 54 54 ARG HA H 55 4.422 4.422 4.030 0.392 18282 9532 1 16 . 1 1 54 54 ARG C C 55 179.159 179.159 178.128 1.031 18282 9533 1 16 . 1 1 54 54 ARG CA C 55 59.726 59.726 59.155 0.571 18282 9534 1 16 . 1 1 54 54 ARG CB C 55 37.368 37.368 29.672 7.696 18282 9535 1 16 . 1 1 54 54 ARG H H 55 9.183 9.183 8.654 0.529 18282 9536 1 16 . 1 1 55 55 TRP N N 56 120.755 120.755 119.997 0.758 18282 9537 1 16 . 1 1 55 55 TRP HA H 56 4.747 4.747 3.851 0.896 18282 9538 1 16 . 1 1 55 55 TRP C C 56 179.954 179.954 177.162 2.792 18282 9539 1 16 . 1 1 55 55 TRP CA C 56 60.105 60.105 59.586 0.519 18282 9540 1 16 . 1 1 55 55 TRP CB C 56 29.997 29.997 28.943 1.054 18282 9541 1 16 . 1 1 55 55 TRP H H 56 8.927 8.927 8.342 0.585 18282 9542 1 16 . 1 1 56 56 ARG N N 57 122.194 122.194 119.760 2.434 18282 9543 1 16 . 1 1 56 56 ARG HA H 57 4.406 4.406 3.542 0.864 18282 9544 1 16 . 1 1 56 56 ARG C C 57 178.101 178.101 178.422 -0.321 18282 9545 1 16 . 1 1 56 56 ARG CA C 57 60.198 60.198 59.233 0.965 18282 9546 1 16 . 1 1 56 56 ARG CB C 57 29.585 29.585 29.900 -0.315 18282 9547 1 16 . 1 1 56 56 ARG H H 57 9.220 9.220 7.439 1.781 18282 9548 1 16 . 1 1 57 57 ARG N N 58 120.674 120.674 119.258 1.416 18282 9549 1 16 . 1 1 57 57 ARG HA H 58 4.186 4.186 3.917 0.269 18282 9550 1 16 . 1 1 57 57 ARG C C 58 179.445 179.445 178.417 1.028 18282 9551 1 16 . 1 1 57 57 ARG CA C 58 59.832 59.832 59.795 0.037 18282 9552 1 16 . 1 1 57 57 ARG CB C 58 29.753 29.753 29.946 -0.193 18282 9553 1 16 . 1 1 57 57 ARG H H 58 7.605 7.605 7.463 0.142 18282 9554 1 16 . 1 1 58 58 VAL N N 59 121.833 121.833 119.012 2.821 18282 9555 1 16 . 1 1 58 58 VAL HA H 59 3.675 3.675 3.794 -0.119 18282 9556 1 16 . 1 1 58 58 VAL C C 59 176.565 176.565 177.586 -1.021 18282 9557 1 16 . 1 1 58 58 VAL CA C 59 65.920 65.920 65.836 0.084 18282 9558 1 16 . 1 1 58 58 VAL CB C 59 30.785 30.785 31.058 -0.273 18282 9559 1 16 . 1 1 58 58 VAL H H 59 7.819 7.819 7.450 0.369 18282 9560 1 16 . 1 1 59 59 GLY N N 60 106.521 106.521 107.285 -0.764 18282 9561 1 16 . 1 1 59 59 GLY C C 60 175.923 175.923 175.778 0.145 18282 9562 1 16 . 1 1 59 59 GLY CA C 60 45.982 45.982 47.042 -1.060 18282 9563 1 16 . 1 1 59 59 GLY H H 60 7.540 7.540 7.715 -0.175 18282 9564 1 16 . 1 1 60 60 ASP N N 61 123.066 123.066 123.464 -0.398 18282 9565 1 16 . 1 1 60 60 ASP HA H 61 4.261 4.261 4.560 -0.299 18282 9566 1 16 . 1 1 60 60 ASP C C 61 178.537 178.537 178.623 -0.086 18282 9567 1 16 . 1 1 60 60 ASP CA C 61 56.907 56.907 56.910 -0.003 18282 9568 1 16 . 1 1 60 60 ASP CB C 61 39.654 39.654 40.417 -0.763 18282 9569 1 16 . 1 1 60 60 ASP H H 61 8.197 8.197 8.447 -0.250 18282 9570 1 16 . 1 1 61 61 CYS N N 62 121.005 121.005 119.053 1.952 18282 9571 1 16 . 1 1 61 61 CYS C C 62 177.083 177.083 177.150 -0.067 18282 9572 1 16 . 1 1 61 61 CYS CA C 62 62.380 62.380 64.857 -2.477 18282 9573 1 16 . 1 1 61 61 CYS CB C 62 26.011 26.011 27.224 -1.213 18282 9574 1 16 . 1 1 61 61 CYS H H 62 7.858 7.858 8.280 -0.422 18282 9575 1 16 . 1 1 62 62 PHE N N 63 119.362 119.362 118.821 0.541 18282 9576 1 16 . 1 1 62 62 PHE HA H 63 4.117 4.117 4.288 -0.171 18282 9577 1 16 . 1 1 62 62 PHE C C 63 178.081 178.081 178.061 0.020 18282 9578 1 16 . 1 1 62 62 PHE CA C 63 57.843 57.843 62.042 -4.199 18282 9579 1 16 . 1 1 62 62 PHE CB C 63 36.605 36.605 38.429 -1.824 18282 9580 1 16 . 1 1 62 62 PHE H H 63 8.530 8.530 8.224 0.306 18282 9581 1 16 . 1 1 63 63 GLN N N 64 118.829 118.829 120.243 -1.414 18282 9582 1 16 . 1 1 63 63 GLN HA H 64 4.199 4.199 4.003 0.196 18282 9583 1 16 . 1 1 63 63 GLN C C 64 177.645 177.645 177.886 -0.241 18282 9584 1 16 . 1 1 63 63 GLN CA C 64 59.094 59.094 59.391 -0.297 18282 9585 1 16 . 1 1 63 63 GLN CB C 64 28.337 28.337 28.564 -0.227 18282 9586 1 16 . 1 1 63 63 GLN H H 64 8.236 8.236 8.641 -0.405 18282 9587 1 16 . 1 1 64 64 ASP N N 65 120.234 120.234 120.617 -0.383 18282 9588 1 16 . 1 1 64 64 ASP HA H 65 4.481 4.481 4.328 0.153 18282 9589 1 16 . 1 1 64 64 ASP CA C 65 57.301 57.301 57.093 0.208 18282 9590 1 16 . 1 1 64 64 ASP CB C 65 40.773 40.773 40.533 0.240 18282 9591 1 16 . 1 1 64 64 ASP H H 65 8.257 8.257 8.318 -0.061 18282 9592 1 16 . 1 1 65 65 TYR HA H 66 4.598 4.598 4.184 0.414 18282 9593 1 16 . 1 1 65 65 TYR C C 66 178.524 178.524 178.056 0.468 18282 9594 1 16 . 1 1 65 65 TYR CA C 66 60.355 60.355 61.614 -1.259 18282 9595 1 16 . 1 1 65 65 TYR CB C 66 37.796 37.796 38.542 -0.746 18282 9596 1 16 . 1 1 66 66 TYR N N 67 122.741 122.741 119.081 3.660 18282 9597 1 16 . 1 1 66 66 TYR HA H 67 4.044 4.044 4.393 -0.349 18282 9598 1 16 . 1 1 66 66 TYR C C 67 178.220 178.220 178.120 0.100 18282 9599 1 16 . 1 1 66 66 TYR CA C 67 61.726 61.726 61.530 0.196 18282 9600 1 16 . 1 1 66 66 TYR CB C 67 38.932 38.932 38.919 0.013 18282 9601 1 16 . 1 1 66 66 TYR H H 67 9.083 9.083 8.408 0.675 18282 9602 1 16 . 1 1 67 67 ASN N N 68 118.530 118.530 118.416 0.114 18282 9603 1 16 . 1 1 67 67 ASN HA H 68 4.378 4.378 4.368 0.010 18282 9604 1 16 . 1 1 67 67 ASN C C 68 176.633 176.633 177.303 -0.670 18282 9605 1 16 . 1 1 67 67 ASN CA C 68 55.293 55.293 56.012 -0.719 18282 9606 1 16 . 1 1 67 67 ASN CB C 68 37.860 37.860 37.986 -0.126 18282 9607 1 16 . 1 1 67 67 ASN H H 68 8.796 8.796 8.689 0.107 18282 9608 1 16 . 1 1 68 68 THR N N 69 114.328 114.328 112.948 1.380 18282 9609 1 16 . 1 1 68 68 THR HA H 69 3.872 3.872 3.893 -0.021 18282 9610 1 16 . 1 1 68 68 THR C C 69 174.832 174.832 175.493 -0.661 18282 9611 1 16 . 1 1 68 68 THR CA C 69 65.224 65.224 65.064 0.160 18282 9612 1 16 . 1 1 68 68 THR CB C 69 69.484 69.484 68.281 1.203 18282 9613 1 16 . 1 1 68 68 THR H H 69 7.960 7.960 7.689 0.271 18282 9614 1 16 . 1 1 69 69 PHE N N 70 118.107 118.107 120.067 -1.960 18282 9615 1 16 . 1 1 69 69 PHE HA H 70 4.626 4.626 4.547 0.079 18282 9616 1 16 . 1 1 69 69 PHE C C 70 176.495 176.495 175.489 1.006 18282 9617 1 16 . 1 1 69 69 PHE CA C 70 58.409 58.409 57.590 0.820 18282 9618 1 16 . 1 1 69 69 PHE CB C 70 40.742 40.742 38.487 2.255 18282 9619 1 16 . 1 1 69 69 PHE H H 70 8.591 8.591 7.292 1.299 18282 9620 1 16 . 1 1 70 70 GLY N N 71 109.309 109.309 109.399 -0.090 18282 9621 1 16 . 1 1 70 70 GLY CA C 71 44.684 44.684 44.911 -0.227 18282 9622 1 16 . 1 1 70 70 GLY H H 71 7.893 7.893 8.174 -0.281 18282 9623 1 16 . 1 1 71 71 PRO HA H 72 4.691 4.691 4.450 0.241 18282 9624 1 16 . 1 1 71 71 PRO C C 72 177.772 177.772 176.684 1.088 18282 9625 1 16 . 1 1 71 71 PRO CA C 72 63.458 63.458 62.378 1.080 18282 9626 1 16 . 1 1 71 71 PRO CB C 72 31.823 31.823 32.332 -0.509 18282 9627 1 16 . 1 1 72 72 GLU N N 73 117.421 117.421 123.985 -6.564 18282 9628 1 16 . 1 1 72 72 GLU HA H 73 4.061 4.061 4.256 -0.195 18282 9629 1 16 . 1 1 72 72 GLU C C 73 177.236 177.236 177.138 0.098 18282 9630 1 16 . 1 1 72 72 GLU CA C 73 58.570 58.570 58.162 0.408 18282 9631 1 16 . 1 1 72 72 GLU CB C 73 28.853 28.853 29.946 -1.093 18282 9632 1 16 . 1 1 72 72 GLU H H 73 8.595 8.595 8.880 -0.285 18282 9633 1 16 . 1 1 73 73 LYS N N 74 116.846 116.846 118.525 -1.679 18282 9634 1 16 . 1 1 73 73 LYS HA H 74 4.381 4.381 4.248 0.133 18282 9635 1 16 . 1 1 73 73 LYS C C 74 175.662 175.662 176.757 -1.095 18282 9636 1 16 . 1 1 73 73 LYS CA C 74 55.263 55.263 56.443 -1.180 18282 9637 1 16 . 1 1 73 73 LYS CB C 74 33.891 33.891 32.373 1.518 18282 9638 1 16 . 1 1 73 73 LYS H H 74 7.493 7.493 8.376 -0.883 18282 9639 1 16 . 1 1 74 74 VAL N N 75 118.056 118.056 121.029 -2.973 18282 9640 1 16 . 1 1 74 74 VAL HA H 75 4.423 4.423 4.042 0.381 18282 9641 1 16 . 1 1 74 74 VAL CA C 75 58.438 58.438 62.114 -3.676 18282 9642 1 16 . 1 1 74 74 VAL CB C 75 33.763 33.763 31.060 2.703 18282 9643 1 16 . 1 1 74 74 VAL H H 75 7.342 7.342 8.374 -1.032 18282 9644 1 16 . 1 1 75 75 PRO HA H 76 4.585 4.585 4.416 0.169 18282 9645 1 16 . 1 1 75 75 PRO C C 76 178.543 178.543 177.741 0.802 18282 9646 1 16 . 1 1 75 75 PRO CA C 76 61.911 61.911 63.126 -1.215 18282 9647 1 16 . 1 1 75 75 PRO CB C 76 32.035 32.035 32.214 -0.179 18282 9648 1 16 . 1 1 76 76 VAL N N 77 119.825 119.825 124.535 -4.710 18282 9649 1 16 . 1 1 76 76 VAL HA H 77 3.921 3.921 3.997 -0.076 18282 9650 1 16 . 1 1 76 76 VAL CA C 77 65.316 65.316 65.090 0.226 18282 9651 1 16 . 1 1 76 76 VAL CB C 77 31.316 31.316 31.540 -0.224 18282 9652 1 16 . 1 1 76 76 VAL H H 77 8.604 8.604 8.671 -0.067 18282 9653 1 16 . 1 1 77 77 THR N N 78 109.390 109.390 112.199 -2.809 18282 9654 1 16 . 1 1 77 77 THR HA H 78 3.914 3.914 4.159 -0.245 18282 9655 1 16 . 1 1 77 77 THR C C 78 175.732 175.732 176.037 -0.305 18282 9656 1 16 . 1 1 77 77 THR CA C 78 62.803 62.803 65.512 -2.709 18282 9657 1 16 . 1 1 77 77 THR CB C 78 68.357 68.357 68.303 0.054 18282 9658 1 16 . 1 1 77 77 THR H H 78 7.380 7.380 8.380 -1.000 18282 9659 1 16 . 1 1 78 78 ALA N N 79 123.661 123.661 124.133 -0.472 18282 9660 1 16 . 1 1 78 78 ALA HA H 79 4.001 4.001 4.260 -0.259 18282 9661 1 16 . 1 1 78 78 ALA C C 79 179.527 179.527 179.605 -0.078 18282 9662 1 16 . 1 1 78 78 ALA CA C 79 55.091 55.091 54.927 0.164 18282 9663 1 16 . 1 1 78 78 ALA CB C 79 17.561 17.561 18.300 -0.739 18282 9664 1 16 . 1 1 78 78 ALA H H 79 7.811 7.811 7.707 0.104 18282 9665 1 16 . 1 1 79 79 PHE N N 80 114.258 114.258 118.996 -4.738 18282 9666 1 16 . 1 1 79 79 PHE HA H 80 4.452 4.452 4.389 0.063 18282 9667 1 16 . 1 1 79 79 PHE C C 80 178.586 178.586 177.398 1.188 18282 9668 1 16 . 1 1 79 79 PHE CA C 80 61.656 61.656 60.678 0.978 18282 9669 1 16 . 1 1 79 79 PHE CB C 80 37.694 37.694 39.300 -1.607 18282 9670 1 16 . 1 1 79 79 PHE H H 80 7.306 7.306 8.934 -1.628 18282 9671 1 16 . 1 1 80 80 SER N N 81 116.865 116.865 116.598 0.267 18282 9672 1 16 . 1 1 80 80 SER CA C 81 61.824 61.824 61.797 0.027 18282 9673 1 16 . 1 1 80 80 SER H H 81 7.733 7.733 7.837 -0.104 18282 9674 1 16 . 1 1 81 81 TYR N N 82 121.932 121.932 122.076 -0.144 18282 9675 1 16 . 1 1 81 81 TYR HA H 82 4.133 4.133 4.118 0.015 18282 9676 1 16 . 1 1 81 81 TYR C C 82 177.701 177.701 177.618 0.083 18282 9677 1 16 . 1 1 81 81 TYR CA C 82 60.027 60.027 62.195 -2.168 18282 9678 1 16 . 1 1 81 81 TYR CB C 82 34.104 34.104 38.210 -4.106 18282 9679 1 16 . 1 1 81 81 TYR H H 82 8.151 8.151 8.281 -0.130 18282 9680 1 16 . 1 1 82 82 TRP N N 83 120.817 120.817 120.601 0.216 18282 9681 1 16 . 1 1 82 82 TRP HA H 83 4.436 4.436 4.327 0.109 18282 9682 1 16 . 1 1 82 82 TRP CA C 83 63.975 63.975 62.366 1.609 18282 9683 1 16 . 1 1 82 82 TRP CB C 83 28.557 28.557 29.354 -0.797 18282 9684 1 16 . 1 1 82 82 TRP H H 83 8.645 8.645 8.390 0.255 18282 9685 1 16 . 1 1 83 83 ASN HA H 84 4.230 4.230 3.962 0.268 18282 9686 1 16 . 1 1 83 83 ASN C C 84 176.140 176.140 177.390 -1.250 18282 9687 1 16 . 1 1 83 83 ASN CA C 84 56.683 56.683 56.537 0.146 18282 9688 1 16 . 1 1 83 83 ASN CB C 84 39.116 39.116 38.051 1.065 18282 9689 1 16 . 1 1 84 84 LEU N N 85 121.884 121.884 121.582 0.302 18282 9690 1 16 . 1 1 84 84 LEU HA H 85 4.054 4.054 4.023 0.031 18282 9691 1 16 . 1 1 84 84 LEU C C 85 178.369 178.369 177.938 0.431 18282 9692 1 16 . 1 1 84 84 LEU CA C 85 58.228 58.228 57.830 0.398 18282 9693 1 16 . 1 1 84 84 LEU CB C 85 41.576 41.576 41.831 -0.256 18282 9694 1 16 . 1 1 84 84 LEU H H 85 7.751 7.751 7.679 0.072 18282 9695 1 16 . 1 1 85 85 ILE N N 86 116.825 116.825 119.111 -2.286 18282 9696 1 16 . 1 1 85 85 ILE HA H 86 3.462 3.462 3.549 -0.087 18282 9697 1 16 . 1 1 85 85 ILE C C 86 176.809 176.809 177.917 -1.108 18282 9698 1 16 . 1 1 85 85 ILE CA C 86 61.345 61.345 65.436 -4.091 18282 9699 1 16 . 1 1 85 85 ILE CB C 86 34.099 34.099 37.649 -3.550 18282 9700 1 16 . 1 1 85 85 ILE H H 86 7.952 7.952 8.567 -0.615 18282 9701 1 16 . 1 1 86 86 LYS N N 87 121.846 121.846 120.263 1.583 18282 9702 1 16 . 1 1 86 86 LYS HA H 87 3.231 3.231 3.685 -0.454 18282 9703 1 16 . 1 1 86 86 LYS C C 87 177.221 177.221 178.124 -0.903 18282 9704 1 16 . 1 1 86 86 LYS CA C 87 60.033 60.033 59.478 0.555 18282 9705 1 16 . 1 1 86 86 LYS CB C 87 31.005 31.005 31.759 -0.754 18282 9706 1 16 . 1 1 86 86 LYS H H 87 7.876 7.876 7.696 0.180 18282 9707 1 16 . 1 1 87 87 GLU N N 88 116.331 116.331 119.143 -2.812 18282 9708 1 16 . 1 1 87 87 GLU HA H 88 3.861 3.861 4.122 -0.261 18282 9709 1 16 . 1 1 87 87 GLU C C 88 178.810 178.810 178.686 0.124 18282 9710 1 16 . 1 1 87 87 GLU CA C 88 58.949 58.949 58.218 0.731 18282 9711 1 16 . 1 1 87 87 GLU CB C 88 29.221 29.221 28.921 0.300 18282 9712 1 16 . 1 1 87 87 GLU H H 88 7.679 7.679 7.502 0.177 18282 9713 1 16 . 1 1 88 88 LEU N N 89 118.090 118.090 122.106 -4.016 18282 9714 1 16 . 1 1 88 88 LEU HA H 89 3.909 3.909 4.040 -0.131 18282 9715 1 16 . 1 1 88 88 LEU CA C 89 57.688 57.688 57.953 -0.265 18282 9716 1 16 . 1 1 88 88 LEU CB C 89 41.436 41.436 41.481 -0.045 18282 9717 1 16 . 1 1 88 88 LEU H H 89 7.441 7.441 8.181 -0.740 18282 9718 1 16 . 1 1 89 89 ILE HA H 90 3.344 3.344 3.681 -0.337 18282 9719 1 16 . 1 1 89 89 ILE CA C 90 65.082 65.082 64.550 0.532 18282 9720 1 16 . 1 1 89 89 ILE CB C 90 37.556 37.556 37.889 -0.333 18282 9721 1 16 . 1 1 90 90 ASP HA H 91 3.894 3.894 4.390 -0.496 18282 9722 1 16 . 1 1 90 90 ASP CA C 91 57.678 57.678 55.964 1.714 18282 9723 1 16 . 1 1 90 90 ASP CB C 91 40.546 40.546 40.801 -0.255 18282 9724 1 16 . 1 1 91 91 LYS N N 92 119.422 119.422 119.453 -0.031 18282 9725 1 16 . 1 1 91 91 LYS CA C 92 54.600 54.600 56.253 -1.653 18282 9726 1 16 . 1 1 91 91 LYS CB C 92 32.014 32.014 32.959 -0.945 18282 9727 1 16 . 1 1 91 91 LYS H H 92 7.903 7.903 7.769 0.134 18282 9728 1 16 . 1 1 92 92 LYS HA H 93 4.541 4.541 4.132 0.409 18282 9729 1 16 . 1 1 92 92 LYS CA C 93 55.202 55.202 57.620 -2.418 18282 9730 1 16 . 1 1 92 92 LYS CB C 93 31.758 31.758 31.627 0.131 18282 9731 1 16 . 1 1 93 93 GLU N N 94 115.922 115.922 118.226 -2.304 18282 9732 1 16 . 1 1 93 93 GLU HA H 94 4.283 4.283 4.152 0.131 18282 9733 1 16 . 1 1 93 93 GLU C C 94 175.613 175.613 177.209 -1.596 18282 9734 1 16 . 1 1 93 93 GLU CA C 94 56.296 56.296 57.837 -1.542 18282 9735 1 16 . 1 1 93 93 GLU CB C 94 29.415 29.415 29.779 -0.364 18282 9736 1 16 . 1 1 93 93 GLU H H 94 8.140 8.140 8.191 -0.051 18282 9737 1 16 . 1 1 94 94 VAL N N 95 121.304 121.304 117.032 4.272 18282 9738 1 16 . 1 1 94 94 VAL HA H 95 3.773 3.773 3.987 -0.214 18282 9739 1 16 . 1 1 94 94 VAL CA C 95 62.257 62.257 61.648 0.609 18282 9740 1 16 . 1 1 94 94 VAL CB C 95 32.047 32.047 31.757 0.290 18282 9741 1 16 . 1 1 94 94 VAL H H 95 8.003 8.003 7.381 0.622 18282 9742 1 16 . 1 1 95 95 ASN H H 96 7.518 7.518 8.041 -0.523 18282 9743 1 16 . 1 1 96 96 PRO HA H 97 4.319 4.319 4.133 0.186 18282 9744 1 16 . 1 1 96 96 PRO C C 97 179.088 179.088 177.798 1.290 18282 9745 1 16 . 1 1 96 96 PRO CA C 97 64.963 64.963 65.217 -0.254 18282 9746 1 16 . 1 1 96 96 PRO CB C 97 32.035 32.035 31.599 0.436 18282 9747 1 16 . 1 1 97 97 GLN N N 98 117.793 117.793 116.127 1.666 18282 9748 1 16 . 1 1 97 97 GLN HA H 98 3.952 3.952 4.143 -0.191 18282 9749 1 16 . 1 1 97 97 GLN C C 98 179.272 179.272 177.892 1.380 18282 9750 1 16 . 1 1 97 97 GLN CA C 98 55.691 55.691 58.591 -2.900 18282 9751 1 16 . 1 1 97 97 GLN CB C 98 28.378 28.378 27.610 0.768 18282 9752 1 16 . 1 1 97 97 GLN H H 98 8.351 8.351 8.610 -0.259 18282 9753 1 16 . 1 1 98 98 VAL N N 99 121.247 121.247 120.162 1.085 18282 9754 1 16 . 1 1 98 98 VAL HA H 99 3.440 3.440 3.879 -0.439 18282 9755 1 16 . 1 1 98 98 VAL CA C 99 67.776 67.776 65.241 2.535 18282 9756 1 16 . 1 1 98 98 VAL CB C 99 31.574 31.574 31.335 0.239 18282 9757 1 16 . 1 1 98 98 VAL H H 99 7.901 7.901 7.842 0.059 18282 9758 1 16 . 1 1 100 100 ALA HA H 101 4.218 4.218 4.041 0.177 18282 9759 1 16 . 1 1 100 100 ALA C C 101 179.599 179.599 179.221 0.378 18282 9760 1 16 . 1 1 100 100 ALA CA C 101 54.685 54.685 54.828 -0.143 18282 9761 1 16 . 1 1 100 100 ALA CB C 101 17.562 17.562 17.832 -0.270 18282 9762 1 16 . 1 1 101 101 ALA N N 102 119.533 119.533 121.019 -1.486 18282 9763 1 16 . 1 1 101 101 ALA HA H 102 4.005 4.005 4.035 -0.030 18282 9764 1 16 . 1 1 101 101 ALA C C 102 180.970 180.970 179.165 1.805 18282 9765 1 16 . 1 1 101 101 ALA CA C 102 55.013 55.013 54.143 0.870 18282 9766 1 16 . 1 1 101 101 ALA CB C 102 17.422 17.422 18.268 -0.846 18282 9767 1 16 . 1 1 101 101 ALA H H 102 7.559 7.559 7.630 -0.071 18282 9768 1 16 . 1 1 102 102 VAL N N 103 122.669 122.669 117.602 5.067 18282 9769 1 16 . 1 1 102 102 VAL HA H 103 4.087 4.087 3.593 0.494 18282 9770 1 16 . 1 1 102 102 VAL C C 103 175.666 175.666 176.037 -0.371 18282 9771 1 16 . 1 1 102 102 VAL CA C 103 61.850 61.850 64.034 -2.184 18282 9772 1 16 . 1 1 102 102 VAL CB C 103 32.576 32.576 31.421 1.155 18282 9773 1 16 . 1 1 102 102 VAL H H 103 8.851 8.851 7.609 1.242 18282 9774 1 16 . 1 1 103 103 ALA N N 104 128.048 128.048 121.291 6.757 18282 9775 1 16 . 1 1 103 103 ALA HA H 104 4.288 4.288 3.979 0.309 18282 9776 1 16 . 1 1 103 103 ALA C C 104 177.344 177.344 178.715 -1.371 18282 9777 1 16 . 1 1 103 103 ALA CA C 104 52.194 52.194 54.284 -2.090 18282 9778 1 16 . 1 1 103 103 ALA CB C 104 19.021 19.021 18.707 0.314 18282 9779 1 16 . 1 1 103 103 ALA H H 104 8.374 8.374 7.678 0.696 18282 9780 1 16 . 1 1 104 104 GLN N N 105 120.285 120.285 116.199 4.086 18282 9781 1 16 . 1 1 104 104 GLN HA H 105 4.281 4.281 4.022 0.259 18282 9782 1 16 . 1 1 104 104 GLN CA C 105 55.656 55.656 57.550 -1.894 18282 9783 1 16 . 1 1 104 104 GLN CB C 105 32.581 32.581 29.071 3.510 18282 9784 1 16 . 1 1 104 104 GLN H H 105 8.374 8.374 7.557 0.817 18282 9785 1 16 . 1 1 105 105 THR HA H 106 4.293 4.293 4.395 -0.102 18282 9786 1 16 . 1 1 105 105 THR C C 106 174.384 174.384 173.576 0.808 18282 9787 1 16 . 1 1 105 105 THR CA C 106 61.663 61.663 61.640 0.023 18282 9788 1 16 . 1 1 105 105 THR CB C 106 69.458 69.458 69.890 -0.432 18282 9789 1 16 . 1 1 106 106 GLU N N 107 122.744 122.744 125.451 -2.707 18282 9790 1 16 . 1 1 106 106 GLU HA H 107 4.241 4.241 4.241 -0.000 18282 9791 1 16 . 1 1 106 106 GLU C C 107 176.331 176.331 176.316 0.015 18282 9792 1 16 . 1 1 106 106 GLU CA C 107 56.621 56.621 56.518 0.103 18282 9793 1 16 . 1 1 106 106 GLU CB C 107 30.004 30.004 30.258 -0.254 18282 9794 1 16 . 1 1 106 106 GLU H H 107 8.415 8.415 8.475 -0.060 18282 9795 1 16 . 1 1 107 107 GLU N N 108 121.993 121.993 120.171 1.822 18282 9796 1 16 . 1 1 107 107 GLU HA H 108 4.184 4.184 4.480 -0.296 18282 9797 1 16 . 1 1 107 107 GLU C C 108 176.404 176.404 177.502 -1.098 18282 9798 1 16 . 1 1 107 107 GLU CA C 108 56.721 56.721 55.536 1.185 18282 9799 1 16 . 1 1 107 107 GLU CB C 108 29.770 29.770 30.721 -0.951 18282 9800 1 16 . 1 1 107 107 GLU H H 108 8.334 8.334 8.602 -0.268 18282 9801 1 16 . 1 1 108 108 ILE N N 109 122.204 122.204 119.784 2.420 18282 9802 1 16 . 1 1 108 108 ILE HA H 109 4.052 4.052 3.874 0.178 18282 9803 1 16 . 1 1 108 108 ILE C C 109 176.261 176.261 175.342 0.919 18282 9804 1 16 . 1 1 108 108 ILE CA C 109 61.245 61.245 62.828 -1.583 18282 9805 1 16 . 1 1 108 108 ILE CB C 109 38.157 38.157 37.796 0.361 18282 9806 1 16 . 1 1 108 108 ILE H H 109 8.068 8.068 8.601 -0.533 18282 9807 1 16 . 1 1 109 109 LEU N N 110 125.608 125.608 120.156 5.452 18282 9808 1 16 . 1 1 109 109 LEU HA H 110 4.295 4.295 4.676 -0.381 18282 9809 1 16 . 1 1 109 109 LEU C C 110 177.275 177.275 176.424 0.851 18282 9810 1 16 . 1 1 109 109 LEU CA C 110 55.103 55.103 53.657 1.446 18282 9811 1 16 . 1 1 109 109 LEU CB C 110 41.929 41.929 40.980 0.949 18282 9812 1 16 . 1 1 109 109 LEU H H 110 8.187 8.187 7.429 0.758 18282 9813 1 16 . 1 1 110 110 LYS N N 111 122.154 122.154 119.542 2.612 18282 9814 1 16 . 1 1 110 110 LYS HA H 111 4.278 4.278 4.262 0.016 18282 9815 1 16 . 1 1 110 110 LYS C C 111 176.606 176.606 176.316 0.290 18282 9816 1 16 . 1 1 110 110 LYS CA C 111 56.125 56.125 57.511 -1.386 18282 9817 1 16 . 1 1 110 110 LYS CB C 111 32.423 32.423 32.897 -0.474 18282 9818 1 16 . 1 1 110 110 LYS H H 111 8.206 8.206 7.444 0.762 18282 9819 1 16 . 1 1 111 111 SER N N 112 116.381 116.381 116.003 0.378 18282 9820 1 16 . 1 1 111 111 SER HA H 112 4.395 4.395 4.296 0.099 18282 9821 1 16 . 1 1 111 111 SER C C 112 175.168 175.168 173.670 1.498 18282 9822 1 16 . 1 1 111 111 SER CA C 112 58.456 58.456 57.555 0.901 18282 9823 1 16 . 1 1 111 111 SER CB C 112 63.495 63.495 64.695 -1.200 18282 9824 1 16 . 1 1 111 111 SER H H 112 8.217 8.217 8.349 -0.132 18282 9825 1 16 . 1 1 112 112 ASN N N 113 119.799 119.799 119.686 0.113 18282 9826 1 16 . 1 1 112 112 ASN HA H 113 4.699 4.699 4.621 0.078 18282 9827 1 16 . 1 1 112 112 ASN C C 113 175.552 175.552 173.806 1.746 18282 9828 1 16 . 1 1 112 112 ASN CA C 113 53.592 53.592 53.949 -0.357 18282 9829 1 16 . 1 1 112 112 ASN CB C 113 38.772 38.772 38.114 0.658 18282 9830 1 16 . 1 1 112 112 ASN H H 113 7.950 7.950 8.387 -0.437 18282 9831 1 16 . 1 1 113 113 SER N N 114 115.430 115.430 109.294 6.136 18282 9832 1 16 . 1 1 113 113 SER HA H 114 4.382 4.382 4.053 0.329 18282 9833 1 16 . 1 1 113 113 SER C C 114 174.558 174.558 173.401 1.157 18282 9834 1 16 . 1 1 113 113 SER CA C 114 58.919 58.919 58.838 0.081 18282 9835 1 16 . 1 1 113 113 SER CB C 114 63.494 63.494 62.477 1.018 18282 9836 1 16 . 1 1 113 113 SER H H 114 7.970 7.970 8.286 -0.316 18282 9837 1 16 . 1 1 114 114 GLN N N 115 121.973 121.973 122.025 -0.052 18282 9838 1 16 . 1 1 114 114 GLN HA H 115 4.347 4.347 4.576 -0.229 18282 9839 1 16 . 1 1 114 114 GLN C C 115 176.246 176.246 175.870 0.376 18282 9840 1 16 . 1 1 114 114 GLN CA C 115 56.036 56.036 54.556 1.480 18282 9841 1 16 . 1 1 114 114 GLN CB C 115 29.196 29.196 31.843 -2.647 18282 9842 1 16 . 1 1 114 114 GLN H H 115 8.382 8.382 7.962 0.420 18282 9843 1 16 . 1 1 115 115 THR N N 116 114.701 114.701 115.697 -0.996 18282 9844 1 16 . 1 1 115 115 THR HA H 116 4.238 4.238 4.102 0.136 18282 9845 1 16 . 1 1 115 115 THR C C 116 174.276 174.276 174.829 -0.553 18282 9846 1 16 . 1 1 115 115 THR CA C 116 62.221 62.221 63.983 -1.762 18282 9847 1 16 . 1 1 115 115 THR CB C 116 69.405 69.405 69.230 0.175 18282 9848 1 16 . 1 1 115 115 THR H H 116 8.070 8.070 8.514 -0.444 18282 9849 1 16 . 1 1 116 116 ASP N N 117 122.566 122.566 119.752 2.814 18282 9850 1 16 . 1 1 116 116 ASP HA H 117 4.575 4.575 4.635 -0.060 18282 9851 1 16 . 1 1 116 116 ASP C C 117 176.241 176.241 175.827 0.414 18282 9852 1 16 . 1 1 116 116 ASP CA C 117 54.286 54.286 53.799 0.487 18282 9853 1 16 . 1 1 116 116 ASP CB C 117 40.609 40.609 41.500 -0.891 18282 9854 1 16 . 1 1 116 116 ASP H H 117 8.288 8.288 8.129 0.159 18282 9855 1 16 . 1 1 117 117 LEU N N 118 122.118 122.118 121.451 0.667 18282 9856 1 16 . 1 1 117 117 LEU HA H 118 4.163 4.163 4.116 0.047 18282 9857 1 16 . 1 1 117 117 LEU C C 118 177.637 177.637 177.552 0.085 18282 9858 1 16 . 1 1 117 117 LEU CA C 118 55.475 55.475 55.292 0.183 18282 9859 1 16 . 1 1 117 117 LEU CB C 118 41.964 41.964 41.856 0.108 18282 9860 1 16 . 1 1 117 117 LEU H H 118 8.088 8.088 8.343 -0.255 18282 9861 1 16 . 1 1 118 118 GLU N N 119 119.527 119.527 119.376 0.151 18282 9862 1 16 . 1 1 118 118 GLU HA H 119 4.086 4.086 4.024 0.062 18282 9863 1 16 . 1 1 118 118 GLU C C 119 176.265 176.265 175.607 0.658 18282 9864 1 16 . 1 1 118 118 GLU CA C 119 56.569 56.569 58.175 -1.606 18282 9865 1 16 . 1 1 118 118 GLU CB C 119 29.486 29.486 30.058 -0.572 18282 9866 1 16 . 1 1 118 118 GLU H H 119 8.134 8.134 8.409 -0.275 18282 9867 1 16 . 1 1 119 119 HIS N N 120 118.076 118.076 116.024 2.052 18282 9868 1 16 . 1 1 119 119 HIS HA H 120 4.485 4.485 4.838 -0.353 18282 9869 1 16 . 1 1 119 119 HIS CA C 120 55.422 55.422 54.976 0.446 18282 9870 1 16 . 1 1 119 119 HIS CB C 120 28.628 28.628 31.005 -2.377 18282 9871 1 16 . 1 1 119 119 HIS H H 120 8.134 8.134 7.655 0.479 18282 9872 1 16 . 1 1 120 120 HIS N N 121 119.323 119.323 120.225 -0.902 18282 9873 1 16 . 1 1 120 120 HIS HA H 121 4.242 4.242 4.783 -0.541 18282 9874 1 16 . 1 1 120 120 HIS CA C 121 56.732 56.732 55.377 1.355 18282 9875 1 16 . 1 1 120 120 HIS H H 121 8.372 8.372 8.478 -0.106 18282 9876 1 16 . 1 1 121 121 HIS N N 122 126.032 126.032 121.510 4.522 18282 9877 1 16 . 1 1 121 121 HIS CA C 122 57.036 57.036 55.859 1.177 18282 9878 1 16 . 1 1 121 121 HIS CB C 122 29.923 29.923 31.777 -1.854 18282 9879 1 16 . 1 1 121 121 HIS H H 122 7.900 7.900 8.762 -0.862 18282 9880 1 16 . 1 1 122 122 HIS N N 123 121.012 121.012 122.508 -1.496 18282 9881 1 16 . 1 1 122 122 HIS HA H 123 4.595 4.595 4.439 0.155 18282 9882 1 16 . 1 1 122 122 HIS CA C 123 55.372 55.372 57.935 -2.563 18282 9883 1 16 . 1 1 122 122 HIS CB C 123 29.165 29.165 30.494 -1.329 18282 9884 1 16 . 1 1 122 122 HIS H H 123 8.595 8.595 8.831 -0.236 18282 9885 1 16 . 1 1 123 123 HIS N N 124 120.343 120.343 117.799 2.544 18282 9886 1 16 . 1 1 123 123 HIS CA C 124 57.380 57.380 55.642 1.738 18282 9887 1 16 . 1 1 123 123 HIS CB C 124 35.491 35.491 30.617 4.874 18282 9888 1 16 . 1 1 123 123 HIS H H 124 8.558 8.558 8.262 0.296 18282 9889 1 17 . 1 1 2 2 GLN N N 3 122.228 122.228 120.392 1.836 18282 9890 1 17 . 1 1 2 2 GLN HA H 3 3.896 3.896 4.109 -0.213 18282 9891 1 17 . 1 1 2 2 GLN C C 3 178.672 178.672 178.078 0.594 18282 9892 1 17 . 1 1 2 2 GLN CA C 3 58.794 58.794 58.371 0.423 18282 9893 1 17 . 1 1 2 2 GLN H H 3 9.310 9.310 8.582 0.728 18282 9894 1 17 . 1 1 3 3 GLU N N 4 119.529 119.529 119.937 -0.408 18282 9895 1 17 . 1 1 3 3 GLU C C 4 175.504 175.504 178.789 -3.285 18282 9896 1 17 . 1 1 3 3 GLU CA C 4 59.561 59.561 58.605 0.956 18282 9897 1 17 . 1 1 3 3 GLU CB C 4 28.876 28.876 28.985 -0.109 18282 9898 1 17 . 1 1 3 3 GLU H H 4 8.489 8.489 8.748 -0.260 18282 9899 1 17 . 1 1 4 4 LEU N N 5 114.832 114.832 121.347 -6.515 18282 9900 1 17 . 1 1 4 4 LEU HA H 5 3.716 3.716 4.006 -0.290 18282 9901 1 17 . 1 1 4 4 LEU C C 5 178.276 178.276 177.685 0.591 18282 9902 1 17 . 1 1 4 4 LEU CA C 5 57.813 57.813 57.861 -0.048 18282 9903 1 17 . 1 1 4 4 LEU CB C 5 40.844 40.844 41.901 -1.057 18282 9904 1 17 . 1 1 4 4 LEU H H 5 8.210 8.210 7.964 0.246 18282 9905 1 17 . 1 1 5 5 SER N N 6 109.726 109.726 113.724 -3.998 18282 9906 1 17 . 1 1 5 5 SER HA H 6 4.127 4.127 4.043 0.084 18282 9907 1 17 . 1 1 5 5 SER C C 6 178.508 178.508 176.880 1.628 18282 9908 1 17 . 1 1 5 5 SER CA C 6 60.401 60.401 61.488 -1.087 18282 9909 1 17 . 1 1 5 5 SER CB C 6 63.535 63.535 62.647 0.888 18282 9910 1 17 . 1 1 5 5 SER H H 6 8.247 8.247 7.871 0.376 18282 9911 1 17 . 1 1 6 6 GLN N N 7 117.203 117.203 120.795 -3.592 18282 9912 1 17 . 1 1 6 6 GLN HA H 7 4.026 4.026 4.108 -0.082 18282 9913 1 17 . 1 1 6 6 GLN CA C 7 58.474 58.474 58.162 0.312 18282 9914 1 17 . 1 1 6 6 GLN H H 7 8.719 8.719 8.659 0.060 18282 9915 1 17 . 1 1 7 7 HIS C C 8 178.622 178.622 177.593 1.029 18282 9916 1 17 . 1 1 8 8 GLU N N 9 120.357 120.357 118.823 1.534 18282 9917 1 17 . 1 1 8 8 GLU HA H 9 3.969 3.969 4.025 -0.056 18282 9918 1 17 . 1 1 8 8 GLU C C 9 178.408 178.408 179.234 -0.826 18282 9919 1 17 . 1 1 8 8 GLU CA C 9 58.244 58.244 59.732 -1.488 18282 9920 1 17 . 1 1 8 8 GLU CB C 9 29.013 29.013 29.520 -0.507 18282 9921 1 17 . 1 1 8 8 GLU H H 9 7.701 7.701 7.934 -0.233 18282 9922 1 17 . 1 1 9 9 ARG N N 10 118.791 118.791 118.793 -0.002 18282 9923 1 17 . 1 1 9 9 ARG HA H 10 4.124 4.124 4.030 0.094 18282 9924 1 17 . 1 1 9 9 ARG C C 10 178.599 178.599 178.520 0.079 18282 9925 1 17 . 1 1 9 9 ARG CA C 10 58.633 58.633 59.197 -0.564 18282 9926 1 17 . 1 1 9 9 ARG CB C 10 29.005 29.005 30.183 -1.179 18282 9927 1 17 . 1 1 9 9 ARG H H 10 8.910 8.910 7.648 1.262 18282 9928 1 17 . 1 1 10 10 TYR N N 11 121.239 121.239 121.647 -0.408 18282 9929 1 17 . 1 1 10 10 TYR HA H 11 4.186 4.186 4.088 0.098 18282 9930 1 17 . 1 1 10 10 TYR C C 11 176.644 176.644 177.866 -1.222 18282 9931 1 17 . 1 1 10 10 TYR CA C 11 61.311 61.311 61.809 -0.498 18282 9932 1 17 . 1 1 10 10 TYR CB C 11 37.956 37.956 38.125 -0.169 18282 9933 1 17 . 1 1 10 10 TYR H H 11 7.562 7.562 8.329 -0.767 18282 9934 1 17 . 1 1 11 11 VAL N N 12 119.249 119.249 119.045 0.204 18282 9935 1 17 . 1 1 11 11 VAL HA H 12 3.119 3.119 3.437 -0.318 18282 9936 1 17 . 1 1 11 11 VAL C C 12 177.275 177.275 178.035 -0.760 18282 9937 1 17 . 1 1 11 11 VAL CA C 12 66.925 66.925 66.769 0.156 18282 9938 1 17 . 1 1 11 11 VAL CB C 12 30.981 30.981 31.756 -0.775 18282 9939 1 17 . 1 1 11 11 VAL H H 12 8.087 8.087 7.564 0.523 18282 9940 1 17 . 1 1 12 12 GLU N N 13 119.569 119.569 117.730 1.839 18282 9941 1 17 . 1 1 12 12 GLU HA H 13 4.213 4.213 3.931 0.282 18282 9942 1 17 . 1 1 12 12 GLU C C 13 175.207 175.207 178.653 -3.446 18282 9943 1 17 . 1 1 12 12 GLU CA C 13 55.971 55.971 59.006 -3.035 18282 9944 1 17 . 1 1 12 12 GLU CB C 13 28.439 28.439 29.490 -1.051 18282 9945 1 17 . 1 1 12 12 GLU H H 13 8.312 8.312 7.550 0.762 18282 9946 1 17 . 1 1 13 13 GLN N N 14 119.375 119.375 120.162 -0.787 18282 9947 1 17 . 1 1 13 13 GLN HA H 14 3.657 3.657 4.056 -0.399 18282 9948 1 17 . 1 1 13 13 GLN CA C 14 54.294 54.294 58.298 -4.004 18282 9949 1 17 . 1 1 13 13 GLN CB C 14 29.681 29.681 28.327 1.354 18282 9950 1 17 . 1 1 13 13 GLN H H 14 7.690 7.690 8.655 -0.965 18282 9951 1 17 . 1 1 14 14 LEU HA H 15 3.865 3.865 3.758 0.107 18282 9952 1 17 . 1 1 14 14 LEU CA C 15 58.177 58.177 57.357 0.820 18282 9953 1 17 . 1 1 14 14 LEU CB C 15 40.693 40.693 40.862 -0.169 18282 9954 1 17 . 1 1 15 15 LYS HA H 16 3.737 3.737 3.928 -0.191 18282 9955 1 17 . 1 1 15 15 LYS C C 16 177.817 177.817 179.381 -1.564 18282 9956 1 17 . 1 1 15 15 LYS CA C 16 60.352 60.352 59.442 0.910 18282 9957 1 17 . 1 1 15 15 LYS CB C 16 32.106 32.106 31.962 0.144 18282 9958 1 17 . 1 1 16 16 GLN N N 17 117.498 117.498 118.148 -0.650 18282 9959 1 17 . 1 1 16 16 GLN HA H 17 3.864 3.864 4.044 -0.180 18282 9960 1 17 . 1 1 16 16 GLN CA C 17 58.307 58.307 58.166 0.140 18282 9961 1 17 . 1 1 16 16 GLN CB C 17 27.788 27.788 28.366 -0.577 18282 9962 1 17 . 1 1 16 16 GLN H H 17 7.862 7.862 7.370 0.492 18282 9963 1 17 . 1 1 17 17 ALA HA H 18 3.793 3.793 3.970 -0.177 18282 9964 1 17 . 1 1 17 17 ALA C C 18 179.147 179.147 180.330 -1.183 18282 9965 1 17 . 1 1 17 17 ALA CA C 18 54.792 54.792 54.818 -0.026 18282 9966 1 17 . 1 1 17 17 ALA CB C 18 17.693 17.693 18.112 -0.419 18282 9967 1 17 . 1 1 18 18 LEU N N 19 117.278 117.278 118.625 -1.347 18282 9968 1 17 . 1 1 18 18 LEU HA H 19 3.784 3.784 3.758 0.026 18282 9969 1 17 . 1 1 18 18 LEU C C 19 174.935 174.935 179.041 -4.106 18282 9970 1 17 . 1 1 18 18 LEU CA C 19 57.731 57.731 57.350 0.381 18282 9971 1 17 . 1 1 18 18 LEU CB C 19 40.703 40.703 41.391 -0.688 18282 9972 1 17 . 1 1 18 18 LEU H H 19 8.168 8.168 7.939 0.229 18282 9973 1 17 . 1 1 19 19 LYS N N 20 118.025 118.025 119.052 -1.027 18282 9974 1 17 . 1 1 19 19 LYS C C 20 177.982 177.982 179.005 -1.023 18282 9975 1 17 . 1 1 19 19 LYS CA C 20 60.439 60.439 59.373 1.066 18282 9976 1 17 . 1 1 19 19 LYS H H 20 8.345 8.345 7.617 0.728 18282 9977 1 17 . 1 1 20 20 THR N N 21 116.345 116.345 113.080 3.265 18282 9978 1 17 . 1 1 20 20 THR HA H 21 4.126 4.126 4.094 0.032 18282 9979 1 17 . 1 1 20 20 THR C C 21 175.469 175.469 175.954 -0.485 18282 9980 1 17 . 1 1 20 20 THR CA C 21 64.643 64.643 64.669 -0.026 18282 9981 1 17 . 1 1 20 20 THR CB C 21 68.652 68.652 68.808 -0.156 18282 9982 1 17 . 1 1 20 20 THR H H 21 7.896 7.896 7.466 0.430 18282 9983 1 17 . 1 1 21 21 ARG N N 22 118.792 118.792 119.168 -0.376 18282 9984 1 17 . 1 1 21 21 ARG HA H 22 4.375 4.375 4.252 0.123 18282 9985 1 17 . 1 1 21 21 ARG C C 22 176.364 176.364 177.000 -0.636 18282 9986 1 17 . 1 1 21 21 ARG CA C 22 54.157 54.157 55.565 -1.407 18282 9987 1 17 . 1 1 21 21 ARG CB C 22 29.453 29.453 29.648 -0.195 18282 9988 1 17 . 1 1 21 21 ARG H H 22 7.317 7.317 7.992 -0.675 18282 9989 1 17 . 1 1 22 22 GLY N N 23 108.428 108.428 107.180 1.248 18282 9990 1 17 . 1 1 22 22 GLY C C 23 174.154 174.154 173.669 0.485 18282 9991 1 17 . 1 1 22 22 GLY CA C 23 45.953 45.953 45.191 0.762 18282 9992 1 17 . 1 1 22 22 GLY H H 23 7.881 7.881 7.728 0.153 18282 9993 1 17 . 1 1 23 23 VAL N N 24 117.319 117.319 118.516 -1.197 18282 9994 1 17 . 1 1 23 23 VAL HA H 24 4.036 4.036 4.149 -0.113 18282 9995 1 17 . 1 1 23 23 VAL C C 24 175.601 175.601 175.720 -0.119 18282 9996 1 17 . 1 1 23 23 VAL CA C 24 61.635 61.635 61.583 0.052 18282 9997 1 17 . 1 1 23 23 VAL CB C 24 32.589 32.589 32.867 -0.278 18282 9998 1 17 . 1 1 23 23 VAL H H 24 7.431 7.431 7.116 0.315 18282 9999 1 17 . 1 1 24 24 LYS N N 25 127.424 127.424 122.473 4.951 18282 10000 1 17 . 1 1 24 24 LYS HA H 25 4.336 4.336 4.706 -0.370 18282 10001 1 17 . 1 1 24 24 LYS C C 25 175.550 175.550 174.952 0.598 18282 10002 1 17 . 1 1 24 24 LYS CA C 25 55.811 55.811 55.508 0.303 18282 10003 1 17 . 1 1 24 24 LYS CB C 25 32.269 32.269 33.960 -1.691 18282 10004 1 17 . 1 1 24 24 LYS H H 25 8.665 8.665 8.387 0.278 18282 10005 1 17 . 1 1 25 25 VAL N N 26 120.764 120.764 119.662 1.102 18282 10006 1 17 . 1 1 25 25 VAL HA H 26 4.140 4.140 4.584 -0.444 18282 10007 1 17 . 1 1 25 25 VAL C C 26 174.206 174.206 174.983 -0.777 18282 10008 1 17 . 1 1 25 25 VAL CA C 26 60.316 60.316 60.880 -0.564 18282 10009 1 17 . 1 1 25 25 VAL CB C 26 33.920 33.920 33.879 0.041 18282 10010 1 17 . 1 1 25 25 VAL H H 26 7.545 7.545 8.283 -0.738 18282 10011 1 17 . 1 1 26 26 LYS N N 27 125.707 125.707 124.680 1.027 18282 10012 1 17 . 1 1 26 26 LYS HA H 27 4.115 4.115 4.537 -0.422 18282 10013 1 17 . 1 1 26 26 LYS CA C 27 55.211 55.211 54.092 1.119 18282 10014 1 17 . 1 1 26 26 LYS CB C 27 31.930 31.930 35.830 -3.900 18282 10015 1 17 . 1 1 26 26 LYS H H 27 8.608 8.608 8.176 0.432 18282 10016 1 17 . 1 1 27 27 TYR CA C 28 56.418 56.418 61.816 -5.397 18282 10017 1 17 . 1 1 27 27 TYR CB C 28 37.036 37.036 37.436 -0.400 18282 10018 1 17 . 1 1 28 28 ALA N N 29 120.712 120.712 121.165 -0.453 18282 10019 1 17 . 1 1 28 28 ALA HA H 29 3.712 3.712 4.016 -0.304 18282 10020 1 17 . 1 1 28 28 ALA C C 29 180.210 180.210 179.633 0.577 18282 10021 1 17 . 1 1 28 28 ALA CA C 29 54.911 54.911 54.657 0.254 18282 10022 1 17 . 1 1 28 28 ALA CB C 29 18.034 18.034 17.498 0.536 18282 10023 1 17 . 1 1 28 28 ALA H H 29 8.326 8.326 8.458 -0.132 18282 10024 1 17 . 1 1 29 29 ASP N N 30 117.166 117.166 119.585 -2.419 18282 10025 1 17 . 1 1 29 29 ASP HA H 30 4.379 4.379 4.331 0.048 18282 10026 1 17 . 1 1 29 29 ASP C C 30 178.427 178.427 178.544 -0.117 18282 10027 1 17 . 1 1 29 29 ASP CA C 30 56.459 56.459 57.378 -0.919 18282 10028 1 17 . 1 1 29 29 ASP CB C 30 39.962 39.962 40.159 -0.197 18282 10029 1 17 . 1 1 29 29 ASP H H 30 6.913 6.913 8.585 -1.672 18282 10030 1 17 . 1 1 30 30 LEU N N 31 123.105 123.105 120.037 3.068 18282 10031 1 17 . 1 1 30 30 LEU HA H 31 3.491 3.491 4.211 -0.720 18282 10032 1 17 . 1 1 30 30 LEU CA C 31 56.841 56.841 58.113 -1.272 18282 10033 1 17 . 1 1 30 30 LEU CB C 31 40.888 40.888 42.042 -1.154 18282 10034 1 17 . 1 1 30 30 LEU H H 31 7.543 7.543 7.636 -0.093 18282 10035 1 17 . 1 1 31 31 LEU HA H 32 3.611 3.611 3.933 -0.322 18282 10036 1 17 . 1 1 31 31 LEU C C 32 179.120 179.120 179.350 -0.230 18282 10037 1 17 . 1 1 31 31 LEU CA C 32 58.103 58.103 58.060 0.043 18282 10038 1 17 . 1 1 31 31 LEU CB C 32 40.594 40.594 41.134 -0.540 18282 10039 1 17 . 1 1 32 32 LYS N N 33 118.074 118.074 118.820 -0.746 18282 10040 1 17 . 1 1 32 32 LYS HA H 33 4.202 4.202 4.102 0.100 18282 10041 1 17 . 1 1 32 32 LYS C C 33 180.044 180.044 178.584 1.460 18282 10042 1 17 . 1 1 32 32 LYS CA C 33 59.081 59.081 59.010 0.072 18282 10043 1 17 . 1 1 32 32 LYS CB C 33 31.735 31.735 32.615 -0.880 18282 10044 1 17 . 1 1 32 32 LYS H H 33 7.189 7.189 7.974 -0.785 18282 10045 1 17 . 1 1 33 33 PHE N N 34 122.977 122.977 120.581 2.396 18282 10046 1 17 . 1 1 33 33 PHE CA C 34 60.402 60.402 61.694 -1.292 18282 10047 1 17 . 1 1 33 33 PHE H H 34 7.768 7.768 8.713 -0.945 18282 10048 1 17 . 1 1 34 34 PHE HA H 35 3.800 3.800 3.964 -0.164 18282 10049 1 17 . 1 1 34 34 PHE C C 35 176.355 176.355 177.108 -0.753 18282 10050 1 17 . 1 1 34 34 PHE CA C 35 61.813 61.813 61.929 -0.116 18282 10051 1 17 . 1 1 34 34 PHE CB C 35 37.164 37.164 38.996 -1.833 18282 10052 1 17 . 1 1 35 35 ASP N N 36 119.969 119.969 119.939 0.030 18282 10053 1 17 . 1 1 35 35 ASP C C 36 177.087 177.087 178.904 -1.817 18282 10054 1 17 . 1 1 35 35 ASP CA C 36 58.278 58.278 57.431 0.847 18282 10055 1 17 . 1 1 35 35 ASP CB C 36 39.578 39.578 40.245 -0.667 18282 10056 1 17 . 1 1 35 35 ASP H H 36 8.338 8.338 7.872 0.466 18282 10057 1 17 . 1 1 36 36 PHE N N 37 122.901 122.901 118.950 3.951 18282 10058 1 17 . 1 1 36 36 PHE C C 37 178.788 178.788 177.593 1.195 18282 10059 1 17 . 1 1 36 36 PHE CA C 37 61.416 61.416 60.852 0.564 18282 10060 1 17 . 1 1 36 36 PHE CB C 37 38.369 38.369 38.736 -0.367 18282 10061 1 17 . 1 1 36 36 PHE H H 37 7.860 7.860 8.283 -0.423 18282 10062 1 17 . 1 1 37 37 VAL N N 38 122.329 122.329 113.047 9.282 18282 10063 1 17 . 1 1 37 37 VAL HA H 38 3.100 3.100 3.752 -0.652 18282 10064 1 17 . 1 1 37 37 VAL C C 38 176.147 176.147 177.444 -1.297 18282 10065 1 17 . 1 1 37 37 VAL CA C 38 67.153 67.153 64.427 2.726 18282 10066 1 17 . 1 1 37 37 VAL CB C 38 30.625 30.625 31.705 -1.080 18282 10067 1 17 . 1 1 37 37 VAL H H 38 8.451 8.451 7.406 1.045 18282 10068 1 17 . 1 1 38 38 LYS N N 39 118.837 118.837 120.191 -1.354 18282 10069 1 17 . 1 1 38 38 LYS HA H 39 3.473 3.473 3.890 -0.417 18282 10070 1 17 . 1 1 38 38 LYS C C 39 176.361 176.361 177.792 -1.431 18282 10071 1 17 . 1 1 38 38 LYS CA C 39 59.519 59.519 59.223 0.296 18282 10072 1 17 . 1 1 38 38 LYS CB C 39 31.628 31.628 32.126 -0.498 18282 10073 1 17 . 1 1 38 38 LYS H H 39 7.581 7.581 7.935 -0.354 18282 10074 1 17 . 1 1 39 39 ASP N N 40 116.210 116.210 118.077 -1.867 18282 10075 1 17 . 1 1 39 39 ASP HA H 40 4.261 4.261 4.402 -0.141 18282 10076 1 17 . 1 1 39 39 ASP CA C 40 56.580 56.580 56.877 -0.297 18282 10077 1 17 . 1 1 39 39 ASP CB C 40 40.977 40.977 40.945 0.032 18282 10078 1 17 . 1 1 39 39 ASP H H 40 8.052 8.052 7.816 0.236 18282 10079 1 17 . 1 1 40 40 THR N N 41 109.215 109.215 109.129 0.086 18282 10080 1 17 . 1 1 40 40 THR C C 41 174.559 174.559 174.536 0.023 18282 10081 1 17 . 1 1 40 40 THR H H 41 7.232 7.232 8.012 -0.780 18282 10082 1 17 . 1 1 41 41 CYS N N 42 117.927 117.927 120.853 -2.926 18282 10083 1 17 . 1 1 41 41 CYS CA C 42 55.865 55.865 57.962 -2.096 18282 10084 1 17 . 1 1 41 41 CYS CB C 42 28.500 28.500 24.589 3.911 18282 10085 1 17 . 1 1 41 41 CYS H H 42 7.197 7.197 8.467 -1.270 18282 10086 1 17 . 1 1 42 42 PRO HA H 43 3.987 3.987 4.293 -0.306 18282 10087 1 17 . 1 1 42 42 PRO C C 43 176.688 176.688 177.361 -0.673 18282 10088 1 17 . 1 1 42 42 PRO CA C 43 65.206 65.206 64.672 0.534 18282 10089 1 17 . 1 1 42 42 PRO CB C 43 30.767 30.767 31.868 -1.101 18282 10090 1 17 . 1 1 43 43 TRP N N 44 113.805 113.805 117.789 -3.984 18282 10091 1 17 . 1 1 43 43 TRP HA H 44 4.361 4.361 4.649 -0.288 18282 10092 1 17 . 1 1 43 43 TRP C C 44 176.982 176.982 175.939 1.043 18282 10093 1 17 . 1 1 43 43 TRP CA C 44 61.758 61.758 58.467 3.291 18282 10094 1 17 . 1 1 43 43 TRP CB C 44 27.771 27.771 29.038 -1.268 18282 10095 1 17 . 1 1 43 43 TRP H H 44 6.632 6.632 7.925 -1.293 18282 10096 1 17 . 1 1 44 44 PHE N N 45 123.019 123.019 116.778 6.241 18282 10097 1 17 . 1 1 44 44 PHE HA H 45 4.043 4.043 4.163 -0.120 18282 10098 1 17 . 1 1 44 44 PHE CA C 45 62.990 62.990 58.057 4.933 18282 10099 1 17 . 1 1 44 44 PHE CB C 45 35.109 35.109 37.307 -2.198 18282 10100 1 17 . 1 1 44 44 PHE H H 45 7.302 7.302 7.467 -0.165 18282 10101 1 17 . 1 1 45 45 PRO HA H 46 4.015 4.015 4.171 -0.156 18282 10102 1 17 . 1 1 45 45 PRO C C 46 176.462 176.462 177.049 -0.587 18282 10103 1 17 . 1 1 45 45 PRO CA C 46 64.582 64.582 64.232 0.350 18282 10104 1 17 . 1 1 45 45 PRO CB C 46 30.254 30.254 31.901 -1.647 18282 10105 1 17 . 1 1 46 46 GLN N N 47 114.404 114.404 119.024 -4.620 18282 10106 1 17 . 1 1 46 46 GLN HA H 47 3.941 3.941 4.244 -0.303 18282 10107 1 17 . 1 1 46 46 GLN C C 47 177.234 177.234 176.995 0.239 18282 10108 1 17 . 1 1 46 46 GLN CA C 47 58.328 58.328 58.334 -0.006 18282 10109 1 17 . 1 1 46 46 GLN CB C 47 28.471 28.471 28.610 -0.139 18282 10110 1 17 . 1 1 46 46 GLN H H 47 6.544 6.544 8.542 -1.998 18282 10111 1 17 . 1 1 47 47 GLU N N 48 117.356 117.356 117.249 0.107 18282 10112 1 17 . 1 1 47 47 GLU HA H 48 4.085 4.085 4.213 -0.128 18282 10113 1 17 . 1 1 47 47 GLU C C 48 179.130 179.130 176.403 2.727 18282 10114 1 17 . 1 1 47 47 GLU CA C 48 58.215 58.215 56.307 1.908 18282 10115 1 17 . 1 1 47 47 GLU CB C 48 29.247 29.247 30.532 -1.285 18282 10116 1 17 . 1 1 47 47 GLU H H 48 7.710 7.710 8.226 -0.516 18282 10117 1 17 . 1 1 48 48 GLY N N 49 105.456 105.456 108.599 -3.143 18282 10118 1 17 . 1 1 48 48 GLY C C 49 171.006 171.006 174.034 -3.028 18282 10119 1 17 . 1 1 48 48 GLY CA C 49 47.085 47.085 45.737 1.348 18282 10120 1 17 . 1 1 48 48 GLY H H 49 7.296 7.296 8.224 -0.928 18282 10121 1 17 . 1 1 49 49 THR N N 50 114.015 114.015 113.773 0.242 18282 10122 1 17 . 1 1 49 49 THR HA H 50 4.248 4.248 4.932 -0.684 18282 10123 1 17 . 1 1 49 49 THR CA C 50 61.830 61.830 59.394 2.436 18282 10124 1 17 . 1 1 49 49 THR CB C 50 70.692 70.692 71.218 -0.526 18282 10125 1 17 . 1 1 49 49 THR H H 50 7.599 7.599 7.655 -0.056 18282 10126 1 17 . 1 1 50 50 ILE HA H 51 4.135 4.135 4.240 -0.105 18282 10127 1 17 . 1 1 50 50 ILE C C 51 172.608 172.608 175.099 -2.491 18282 10128 1 17 . 1 1 50 50 ILE CA C 51 59.075 59.075 61.602 -2.527 18282 10129 1 17 . 1 1 50 50 ILE CB C 51 35.416 35.416 38.792 -3.376 18282 10130 1 17 . 1 1 51 51 ASP N N 52 121.859 121.859 126.185 -4.326 18282 10131 1 17 . 1 1 51 51 ASP HA H 52 4.625 4.625 4.766 -0.141 18282 10132 1 17 . 1 1 51 51 ASP C C 52 175.770 175.770 175.546 0.224 18282 10133 1 17 . 1 1 51 51 ASP CA C 52 51.634 51.634 53.067 -1.433 18282 10134 1 17 . 1 1 51 51 ASP CB C 52 42.528 42.528 41.566 0.962 18282 10135 1 17 . 1 1 51 51 ASP H H 52 7.176 7.176 7.752 -0.576 18282 10136 1 17 . 1 1 52 52 ILE N N 53 119.549 119.549 122.544 -2.995 18282 10137 1 17 . 1 1 52 52 ILE HA H 53 4.150 4.150 4.330 -0.180 18282 10138 1 17 . 1 1 52 52 ILE C C 53 176.961 176.961 177.125 -0.164 18282 10139 1 17 . 1 1 52 52 ILE CA C 53 61.899 61.899 62.611 -0.712 18282 10140 1 17 . 1 1 52 52 ILE CB C 53 37.700 37.700 39.305 -1.605 18282 10141 1 17 . 1 1 52 52 ILE H H 53 8.777 8.777 8.600 0.177 18282 10142 1 17 . 1 1 53 53 LYS N N 54 123.515 123.515 121.103 2.412 18282 10143 1 17 . 1 1 53 53 LYS HA H 54 4.116 4.116 4.204 -0.088 18282 10144 1 17 . 1 1 53 53 LYS C C 54 180.448 180.448 178.528 1.920 18282 10145 1 17 . 1 1 53 53 LYS CA C 54 59.934 59.934 59.209 0.725 18282 10146 1 17 . 1 1 53 53 LYS CB C 54 31.875 31.875 32.329 -0.454 18282 10147 1 17 . 1 1 53 53 LYS H H 54 8.106 8.106 8.307 -0.201 18282 10148 1 17 . 1 1 54 54 ARG N N 55 120.371 120.371 119.549 0.822 18282 10149 1 17 . 1 1 54 54 ARG HA H 55 4.422 4.422 4.046 0.376 18282 10150 1 17 . 1 1 54 54 ARG C C 55 179.159 179.159 178.263 0.896 18282 10151 1 17 . 1 1 54 54 ARG CA C 55 59.726 59.726 59.202 0.524 18282 10152 1 17 . 1 1 54 54 ARG CB C 55 37.368 37.368 29.696 7.672 18282 10153 1 17 . 1 1 54 54 ARG H H 55 9.183 9.183 8.655 0.528 18282 10154 1 17 . 1 1 55 55 TRP N N 56 120.755 120.755 119.926 0.829 18282 10155 1 17 . 1 1 55 55 TRP HA H 56 4.747 4.747 4.247 0.500 18282 10156 1 17 . 1 1 55 55 TRP C C 56 179.954 179.954 177.089 2.865 18282 10157 1 17 . 1 1 55 55 TRP CA C 56 60.105 60.105 59.902 0.203 18282 10158 1 17 . 1 1 55 55 TRP CB C 56 29.997 29.997 29.109 0.888 18282 10159 1 17 . 1 1 55 55 TRP H H 56 8.927 8.927 8.485 0.442 18282 10160 1 17 . 1 1 56 56 ARG N N 57 122.194 122.194 118.756 3.438 18282 10161 1 17 . 1 1 56 56 ARG HA H 57 4.406 4.406 3.496 0.910 18282 10162 1 17 . 1 1 56 56 ARG C C 57 178.101 178.101 178.837 -0.736 18282 10163 1 17 . 1 1 56 56 ARG CA C 57 60.198 60.198 59.426 0.772 18282 10164 1 17 . 1 1 56 56 ARG CB C 57 29.585 29.585 29.642 -0.058 18282 10165 1 17 . 1 1 56 56 ARG H H 57 9.220 9.220 7.561 1.659 18282 10166 1 17 . 1 1 57 57 ARG N N 58 120.674 120.674 119.572 1.102 18282 10167 1 17 . 1 1 57 57 ARG HA H 58 4.186 4.186 3.934 0.252 18282 10168 1 17 . 1 1 57 57 ARG C C 58 179.445 179.445 178.493 0.952 18282 10169 1 17 . 1 1 57 57 ARG CA C 58 59.832 59.832 59.658 0.174 18282 10170 1 17 . 1 1 57 57 ARG CB C 58 29.753 29.753 30.082 -0.329 18282 10171 1 17 . 1 1 57 57 ARG H H 58 7.605 7.605 7.405 0.200 18282 10172 1 17 . 1 1 58 58 VAL N N 59 121.833 121.833 118.888 2.945 18282 10173 1 17 . 1 1 58 58 VAL HA H 59 3.675 3.675 3.799 -0.124 18282 10174 1 17 . 1 1 58 58 VAL C C 59 176.565 176.565 177.236 -0.671 18282 10175 1 17 . 1 1 58 58 VAL CA C 59 65.920 65.920 65.482 0.438 18282 10176 1 17 . 1 1 58 58 VAL CB C 59 30.785 30.785 31.735 -0.950 18282 10177 1 17 . 1 1 58 58 VAL H H 59 7.819 7.819 7.435 0.384 18282 10178 1 17 . 1 1 59 59 GLY N N 60 106.521 106.521 106.835 -0.314 18282 10179 1 17 . 1 1 59 59 GLY C C 60 175.923 175.923 175.512 0.411 18282 10180 1 17 . 1 1 59 59 GLY CA C 60 45.982 45.982 47.053 -1.071 18282 10181 1 17 . 1 1 59 59 GLY H H 60 7.540 7.540 8.142 -0.602 18282 10182 1 17 . 1 1 60 60 ASP N N 61 123.066 123.066 122.566 0.500 18282 10183 1 17 . 1 1 60 60 ASP HA H 61 4.261 4.261 4.449 -0.188 18282 10184 1 17 . 1 1 60 60 ASP C C 61 178.537 178.537 178.659 -0.122 18282 10185 1 17 . 1 1 60 60 ASP CA C 61 56.907 56.907 57.000 -0.093 18282 10186 1 17 . 1 1 60 60 ASP CB C 61 39.654 39.654 40.195 -0.541 18282 10187 1 17 . 1 1 60 60 ASP H H 61 8.197 8.197 8.250 -0.053 18282 10188 1 17 . 1 1 61 61 CYS N N 62 121.005 121.005 119.101 1.904 18282 10189 1 17 . 1 1 61 61 CYS C C 62 177.083 177.083 177.156 -0.073 18282 10190 1 17 . 1 1 61 61 CYS CA C 62 62.380 62.380 64.230 -1.850 18282 10191 1 17 . 1 1 61 61 CYS CB C 62 26.011 26.011 26.944 -0.933 18282 10192 1 17 . 1 1 61 61 CYS H H 62 7.858 7.858 7.595 0.263 18282 10193 1 17 . 1 1 62 62 PHE N N 63 119.362 119.362 118.972 0.390 18282 10194 1 17 . 1 1 62 62 PHE HA H 63 4.117 4.117 4.188 -0.071 18282 10195 1 17 . 1 1 62 62 PHE C C 63 178.081 178.081 178.102 -0.021 18282 10196 1 17 . 1 1 62 62 PHE CA C 63 57.843 57.843 62.508 -4.665 18282 10197 1 17 . 1 1 62 62 PHE CB C 63 36.605 36.605 38.007 -1.402 18282 10198 1 17 . 1 1 62 62 PHE H H 63 8.530 8.530 7.823 0.707 18282 10199 1 17 . 1 1 63 63 GLN N N 64 118.829 118.829 120.314 -1.485 18282 10200 1 17 . 1 1 63 63 GLN HA H 64 4.199 4.199 4.117 0.082 18282 10201 1 17 . 1 1 63 63 GLN C C 64 177.645 177.645 178.032 -0.387 18282 10202 1 17 . 1 1 63 63 GLN CA C 64 59.094 59.094 59.347 -0.253 18282 10203 1 17 . 1 1 63 63 GLN CB C 64 28.337 28.337 28.556 -0.219 18282 10204 1 17 . 1 1 63 63 GLN H H 64 8.236 8.236 8.888 -0.652 18282 10205 1 17 . 1 1 64 64 ASP N N 65 120.234 120.234 120.331 -0.097 18282 10206 1 17 . 1 1 64 64 ASP HA H 65 4.481 4.481 4.308 0.173 18282 10207 1 17 . 1 1 64 64 ASP CA C 65 57.301 57.301 57.354 -0.053 18282 10208 1 17 . 1 1 64 64 ASP CB C 65 40.773 40.773 40.486 0.287 18282 10209 1 17 . 1 1 64 64 ASP H H 65 8.257 8.257 8.135 0.122 18282 10210 1 17 . 1 1 65 65 TYR HA H 66 4.598 4.598 4.422 0.176 18282 10211 1 17 . 1 1 65 65 TYR C C 66 178.524 178.524 178.610 -0.086 18282 10212 1 17 . 1 1 65 65 TYR CA C 66 60.355 60.355 61.046 -0.691 18282 10213 1 17 . 1 1 65 65 TYR CB C 66 37.796 37.796 38.386 -0.590 18282 10214 1 17 . 1 1 66 66 TYR N N 67 122.741 122.741 120.724 2.017 18282 10215 1 17 . 1 1 66 66 TYR HA H 67 4.044 4.044 4.079 -0.035 18282 10216 1 17 . 1 1 66 66 TYR C C 67 178.220 178.220 177.414 0.806 18282 10217 1 17 . 1 1 66 66 TYR CA C 67 61.726 61.726 62.003 -0.277 18282 10218 1 17 . 1 1 66 66 TYR CB C 67 38.932 38.932 38.701 0.231 18282 10219 1 17 . 1 1 66 66 TYR H H 67 9.083 9.083 8.810 0.273 18282 10220 1 17 . 1 1 67 67 ASN N N 68 118.530 118.530 116.095 2.435 18282 10221 1 17 . 1 1 67 67 ASN HA H 68 4.378 4.378 4.603 -0.225 18282 10222 1 17 . 1 1 67 67 ASN C C 68 176.633 176.633 178.068 -1.435 18282 10223 1 17 . 1 1 67 67 ASN CA C 68 55.293 55.293 55.550 -0.257 18282 10224 1 17 . 1 1 67 67 ASN CB C 68 37.860 37.860 38.440 -0.580 18282 10225 1 17 . 1 1 67 67 ASN H H 68 8.796 8.796 8.623 0.173 18282 10226 1 17 . 1 1 68 68 THR N N 69 114.328 114.328 112.215 2.113 18282 10227 1 17 . 1 1 68 68 THR HA H 69 3.872 3.872 4.152 -0.280 18282 10228 1 17 . 1 1 68 68 THR C C 69 174.832 174.832 176.056 -1.224 18282 10229 1 17 . 1 1 68 68 THR CA C 69 65.224 65.224 64.824 0.400 18282 10230 1 17 . 1 1 68 68 THR CB C 69 69.484 69.484 68.737 0.747 18282 10231 1 17 . 1 1 68 68 THR H H 69 7.960 7.960 7.734 0.226 18282 10232 1 17 . 1 1 69 69 PHE N N 70 118.107 118.107 121.280 -3.173 18282 10233 1 17 . 1 1 69 69 PHE HA H 70 4.626 4.626 4.208 0.418 18282 10234 1 17 . 1 1 69 69 PHE C C 70 176.495 176.495 175.989 0.506 18282 10235 1 17 . 1 1 69 69 PHE CA C 70 58.409 58.409 59.454 -1.045 18282 10236 1 17 . 1 1 69 69 PHE CB C 70 40.742 40.742 39.444 1.298 18282 10237 1 17 . 1 1 69 69 PHE H H 70 8.591 8.591 7.950 0.641 18282 10238 1 17 . 1 1 70 70 GLY N N 71 109.309 109.309 106.298 3.011 18282 10239 1 17 . 1 1 70 70 GLY CA C 71 44.684 44.684 45.246 -0.562 18282 10240 1 17 . 1 1 70 70 GLY H H 71 7.893 7.893 7.469 0.424 18282 10241 1 17 . 1 1 71 71 PRO HA H 72 4.691 4.691 4.487 0.204 18282 10242 1 17 . 1 1 71 71 PRO C C 72 177.772 177.772 176.622 1.150 18282 10243 1 17 . 1 1 71 71 PRO CA C 72 63.458 63.458 63.098 0.360 18282 10244 1 17 . 1 1 71 71 PRO CB C 72 31.823 31.823 31.479 0.344 18282 10245 1 17 . 1 1 72 72 GLU N N 73 117.421 117.421 124.055 -6.634 18282 10246 1 17 . 1 1 72 72 GLU HA H 73 4.061 4.061 4.072 -0.011 18282 10247 1 17 . 1 1 72 72 GLU C C 73 177.236 177.236 177.490 -0.254 18282 10248 1 17 . 1 1 72 72 GLU CA C 73 58.570 58.570 58.230 0.340 18282 10249 1 17 . 1 1 72 72 GLU CB C 73 28.853 28.853 29.663 -0.810 18282 10250 1 17 . 1 1 72 72 GLU H H 73 8.595 8.595 8.539 0.056 18282 10251 1 17 . 1 1 73 73 LYS N N 74 116.846 116.846 118.375 -1.529 18282 10252 1 17 . 1 1 73 73 LYS HA H 74 4.381 4.381 4.278 0.103 18282 10253 1 17 . 1 1 73 73 LYS C C 74 175.662 175.662 175.354 0.308 18282 10254 1 17 . 1 1 73 73 LYS CA C 74 55.263 55.263 56.332 -1.069 18282 10255 1 17 . 1 1 73 73 LYS CB C 74 33.891 33.891 32.607 1.284 18282 10256 1 17 . 1 1 73 73 LYS H H 74 7.493 7.493 7.979 -0.486 18282 10257 1 17 . 1 1 74 74 VAL N N 75 118.056 118.056 117.579 0.477 18282 10258 1 17 . 1 1 74 74 VAL HA H 75 4.423 4.423 4.058 0.365 18282 10259 1 17 . 1 1 74 74 VAL CA C 75 58.438 58.438 61.941 -3.503 18282 10260 1 17 . 1 1 74 74 VAL CB C 75 33.763 33.763 31.169 2.594 18282 10261 1 17 . 1 1 74 74 VAL H H 75 7.342 7.342 7.675 -0.333 18282 10262 1 17 . 1 1 75 75 PRO HA H 76 4.585 4.585 4.547 0.038 18282 10263 1 17 . 1 1 75 75 PRO C C 76 178.543 178.543 177.542 1.001 18282 10264 1 17 . 1 1 75 75 PRO CA C 76 61.911 61.911 63.036 -1.125 18282 10265 1 17 . 1 1 75 75 PRO CB C 76 32.035 32.035 32.429 -0.394 18282 10266 1 17 . 1 1 76 76 VAL N N 77 119.825 119.825 126.249 -6.424 18282 10267 1 17 . 1 1 76 76 VAL HA H 77 3.921 3.921 3.847 0.074 18282 10268 1 17 . 1 1 76 76 VAL CA C 77 65.316 65.316 64.737 0.579 18282 10269 1 17 . 1 1 76 76 VAL CB C 77 31.316 31.316 31.384 -0.068 18282 10270 1 17 . 1 1 76 76 VAL H H 77 8.604 8.604 8.395 0.209 18282 10271 1 17 . 1 1 77 77 THR N N 78 109.390 109.390 112.793 -3.403 18282 10272 1 17 . 1 1 77 77 THR HA H 78 3.914 3.914 4.115 -0.201 18282 10273 1 17 . 1 1 77 77 THR C C 78 175.732 175.732 176.028 -0.296 18282 10274 1 17 . 1 1 77 77 THR CA C 78 62.803 62.803 65.488 -2.685 18282 10275 1 17 . 1 1 77 77 THR CB C 78 68.357 68.357 68.497 -0.140 18282 10276 1 17 . 1 1 77 77 THR H H 78 7.380 7.380 8.343 -0.963 18282 10277 1 17 . 1 1 78 78 ALA N N 79 123.661 123.661 124.075 -0.414 18282 10278 1 17 . 1 1 78 78 ALA HA H 79 4.001 4.001 4.281 -0.280 18282 10279 1 17 . 1 1 78 78 ALA C C 79 179.527 179.527 179.867 -0.340 18282 10280 1 17 . 1 1 78 78 ALA CA C 79 55.091 55.091 54.786 0.305 18282 10281 1 17 . 1 1 78 78 ALA CB C 79 17.561 17.561 18.478 -0.917 18282 10282 1 17 . 1 1 78 78 ALA H H 79 7.811 7.811 7.660 0.151 18282 10283 1 17 . 1 1 79 79 PHE N N 80 114.258 114.258 117.763 -3.505 18282 10284 1 17 . 1 1 79 79 PHE HA H 80 4.452 4.452 4.401 0.051 18282 10285 1 17 . 1 1 79 79 PHE C C 80 178.586 178.586 178.057 0.529 18282 10286 1 17 . 1 1 79 79 PHE CA C 80 61.656 61.656 60.582 1.074 18282 10287 1 17 . 1 1 79 79 PHE CB C 80 37.694 37.694 38.469 -0.775 18282 10288 1 17 . 1 1 79 79 PHE H H 80 7.306 7.306 9.380 -2.074 18282 10289 1 17 . 1 1 80 80 SER N N 81 116.865 116.865 114.938 1.927 18282 10290 1 17 . 1 1 80 80 SER CA C 81 61.824 61.824 61.987 -0.163 18282 10291 1 17 . 1 1 80 80 SER H H 81 7.733 7.733 7.980 -0.247 18282 10292 1 17 . 1 1 81 81 TYR N N 82 121.932 121.932 121.303 0.629 18282 10293 1 17 . 1 1 81 81 TYR HA H 82 4.133 4.133 4.206 -0.073 18282 10294 1 17 . 1 1 81 81 TYR C C 82 177.701 177.701 177.575 0.126 18282 10295 1 17 . 1 1 81 81 TYR CA C 82 60.027 60.027 61.353 -1.326 18282 10296 1 17 . 1 1 81 81 TYR CB C 82 34.104 34.104 38.241 -4.137 18282 10297 1 17 . 1 1 81 81 TYR H H 82 8.151 8.151 7.696 0.455 18282 10298 1 17 . 1 1 82 82 TRP N N 83 120.817 120.817 120.348 0.469 18282 10299 1 17 . 1 1 82 82 TRP HA H 83 4.436 4.436 4.282 0.154 18282 10300 1 17 . 1 1 82 82 TRP CA C 83 63.975 63.975 61.539 2.436 18282 10301 1 17 . 1 1 82 82 TRP CB C 83 28.557 28.557 29.270 -0.713 18282 10302 1 17 . 1 1 82 82 TRP H H 83 8.645 8.645 8.283 0.362 18282 10303 1 17 . 1 1 83 83 ASN HA H 84 4.230 4.230 3.892 0.338 18282 10304 1 17 . 1 1 83 83 ASN C C 84 176.140 176.140 177.617 -1.477 18282 10305 1 17 . 1 1 83 83 ASN CA C 84 56.683 56.683 55.959 0.724 18282 10306 1 17 . 1 1 83 83 ASN CB C 84 39.116 39.116 37.742 1.374 18282 10307 1 17 . 1 1 84 84 LEU N N 85 121.884 121.884 121.928 -0.044 18282 10308 1 17 . 1 1 84 84 LEU HA H 85 4.054 4.054 4.101 -0.047 18282 10309 1 17 . 1 1 84 84 LEU C C 85 178.369 178.369 178.421 -0.052 18282 10310 1 17 . 1 1 84 84 LEU CA C 85 58.228 58.228 57.721 0.507 18282 10311 1 17 . 1 1 84 84 LEU CB C 85 41.576 41.576 41.923 -0.347 18282 10312 1 17 . 1 1 84 84 LEU H H 85 7.751 7.751 7.715 0.036 18282 10313 1 17 . 1 1 85 85 ILE N N 86 116.825 116.825 119.137 -2.312 18282 10314 1 17 . 1 1 85 85 ILE HA H 86 3.462 3.462 3.618 -0.156 18282 10315 1 17 . 1 1 85 85 ILE C C 86 176.809 176.809 177.842 -1.033 18282 10316 1 17 . 1 1 85 85 ILE CA C 86 61.345 61.345 65.552 -4.207 18282 10317 1 17 . 1 1 85 85 ILE CB C 86 34.099 34.099 37.767 -3.668 18282 10318 1 17 . 1 1 85 85 ILE H H 86 7.952 7.952 8.636 -0.684 18282 10319 1 17 . 1 1 86 86 LYS N N 87 121.846 121.846 119.901 1.945 18282 10320 1 17 . 1 1 86 86 LYS HA H 87 3.231 3.231 3.798 -0.567 18282 10321 1 17 . 1 1 86 86 LYS C C 87 177.221 177.221 178.062 -0.841 18282 10322 1 17 . 1 1 86 86 LYS CA C 87 60.033 60.033 59.963 0.070 18282 10323 1 17 . 1 1 86 86 LYS CB C 87 31.005 31.005 31.655 -0.650 18282 10324 1 17 . 1 1 86 86 LYS H H 87 7.876 7.876 7.772 0.104 18282 10325 1 17 . 1 1 87 87 GLU N N 88 116.331 116.331 119.005 -2.674 18282 10326 1 17 . 1 1 87 87 GLU HA H 88 3.861 3.861 4.097 -0.236 18282 10327 1 17 . 1 1 87 87 GLU C C 88 178.810 178.810 178.659 0.151 18282 10328 1 17 . 1 1 87 87 GLU CA C 88 58.949 58.949 58.312 0.637 18282 10329 1 17 . 1 1 87 87 GLU CB C 88 29.221 29.221 28.612 0.609 18282 10330 1 17 . 1 1 87 87 GLU H H 88 7.679 7.679 7.521 0.158 18282 10331 1 17 . 1 1 88 88 LEU N N 89 118.090 118.090 121.551 -3.461 18282 10332 1 17 . 1 1 88 88 LEU HA H 89 3.909 3.909 4.040 -0.131 18282 10333 1 17 . 1 1 88 88 LEU CA C 89 57.688 57.688 58.168 -0.480 18282 10334 1 17 . 1 1 88 88 LEU CB C 89 41.436 41.436 42.008 -0.572 18282 10335 1 17 . 1 1 88 88 LEU H H 89 7.441 7.441 8.111 -0.670 18282 10336 1 17 . 1 1 89 89 ILE HA H 90 3.344 3.344 3.704 -0.360 18282 10337 1 17 . 1 1 89 89 ILE CA C 90 65.082 65.082 64.683 0.399 18282 10338 1 17 . 1 1 89 89 ILE CB C 90 37.556 37.556 37.646 -0.090 18282 10339 1 17 . 1 1 90 90 ASP HA H 91 3.894 3.894 4.343 -0.449 18282 10340 1 17 . 1 1 90 90 ASP CA C 91 57.678 57.678 55.697 1.981 18282 10341 1 17 . 1 1 90 90 ASP CB C 91 40.546 40.546 40.959 -0.413 18282 10342 1 17 . 1 1 91 91 LYS N N 92 119.422 119.422 118.822 0.600 18282 10343 1 17 . 1 1 91 91 LYS CA C 92 54.600 54.600 56.452 -1.852 18282 10344 1 17 . 1 1 91 91 LYS CB C 92 32.014 32.014 33.397 -1.383 18282 10345 1 17 . 1 1 91 91 LYS H H 92 7.903 7.903 7.367 0.536 18282 10346 1 17 . 1 1 92 92 LYS HA H 93 4.541 4.541 4.104 0.437 18282 10347 1 17 . 1 1 92 92 LYS CA C 93 55.202 55.202 58.677 -3.475 18282 10348 1 17 . 1 1 92 92 LYS CB C 93 31.758 31.758 32.539 -0.782 18282 10349 1 17 . 1 1 93 93 GLU N N 94 115.922 115.922 119.340 -3.418 18282 10350 1 17 . 1 1 93 93 GLU HA H 94 4.283 4.283 4.361 -0.078 18282 10351 1 17 . 1 1 93 93 GLU C C 94 175.613 175.613 176.655 -1.042 18282 10352 1 17 . 1 1 93 93 GLU CA C 94 56.296 56.296 54.811 1.485 18282 10353 1 17 . 1 1 93 93 GLU CB C 94 29.415 29.415 28.341 1.074 18282 10354 1 17 . 1 1 93 93 GLU H H 94 8.140 8.140 8.537 -0.397 18282 10355 1 17 . 1 1 94 94 VAL N N 95 121.304 121.304 119.962 1.342 18282 10356 1 17 . 1 1 94 94 VAL HA H 95 3.773 3.773 3.818 -0.045 18282 10357 1 17 . 1 1 94 94 VAL CA C 95 62.257 62.257 64.393 -2.136 18282 10358 1 17 . 1 1 94 94 VAL CB C 95 32.047 32.047 32.312 -0.265 18282 10359 1 17 . 1 1 94 94 VAL H H 95 8.003 8.003 7.529 0.474 18282 10360 1 17 . 1 1 95 95 ASN H H 96 7.518 7.518 7.845 -0.327 18282 10361 1 17 . 1 1 96 96 PRO HA H 97 4.319 4.319 4.169 0.150 18282 10362 1 17 . 1 1 96 96 PRO C C 97 179.088 179.088 178.011 1.077 18282 10363 1 17 . 1 1 96 96 PRO CA C 97 64.963 64.963 65.030 -0.067 18282 10364 1 17 . 1 1 96 96 PRO CB C 97 32.035 32.035 31.692 0.343 18282 10365 1 17 . 1 1 97 97 GLN N N 98 117.793 117.793 117.008 0.785 18282 10366 1 17 . 1 1 97 97 GLN HA H 98 3.952 3.952 4.142 -0.190 18282 10367 1 17 . 1 1 97 97 GLN C C 98 179.272 179.272 177.304 1.968 18282 10368 1 17 . 1 1 97 97 GLN CA C 98 55.691 55.691 58.404 -2.713 18282 10369 1 17 . 1 1 97 97 GLN CB C 98 28.378 28.378 27.208 1.170 18282 10370 1 17 . 1 1 97 97 GLN H H 98 8.351 8.351 8.511 -0.160 18282 10371 1 17 . 1 1 98 98 VAL N N 99 121.247 121.247 120.013 1.234 18282 10372 1 17 . 1 1 98 98 VAL HA H 99 3.440 3.440 3.755 -0.315 18282 10373 1 17 . 1 1 98 98 VAL CA C 99 67.776 67.776 65.777 1.999 18282 10374 1 17 . 1 1 98 98 VAL CB C 99 31.574 31.574 31.340 0.234 18282 10375 1 17 . 1 1 98 98 VAL H H 99 7.901 7.901 7.436 0.466 18282 10376 1 17 . 1 1 100 100 ALA HA H 101 4.218 4.218 4.056 0.162 18282 10377 1 17 . 1 1 100 100 ALA C C 101 179.599 179.599 178.867 0.732 18282 10378 1 17 . 1 1 100 100 ALA CA C 101 54.685 54.685 54.486 0.199 18282 10379 1 17 . 1 1 100 100 ALA CB C 101 17.562 17.562 17.905 -0.344 18282 10380 1 17 . 1 1 101 101 ALA N N 102 119.533 119.533 121.565 -2.032 18282 10381 1 17 . 1 1 101 101 ALA HA H 102 4.005 4.005 4.093 -0.088 18282 10382 1 17 . 1 1 101 101 ALA C C 102 180.970 180.970 179.260 1.710 18282 10383 1 17 . 1 1 101 101 ALA CA C 102 55.013 55.013 54.130 0.883 18282 10384 1 17 . 1 1 101 101 ALA CB C 102 17.422 17.422 18.092 -0.670 18282 10385 1 17 . 1 1 101 101 ALA H H 102 7.559 7.559 7.629 -0.070 18282 10386 1 17 . 1 1 102 102 VAL N N 103 122.669 122.669 118.474 4.195 18282 10387 1 17 . 1 1 102 102 VAL HA H 103 4.087 4.087 3.703 0.384 18282 10388 1 17 . 1 1 102 102 VAL C C 103 175.666 175.666 176.690 -1.024 18282 10389 1 17 . 1 1 102 102 VAL CA C 103 61.850 61.850 64.363 -2.513 18282 10390 1 17 . 1 1 102 102 VAL CB C 103 32.576 32.576 30.692 1.884 18282 10391 1 17 . 1 1 102 102 VAL H H 103 8.851 8.851 7.660 1.191 18282 10392 1 17 . 1 1 103 103 ALA N N 104 128.048 128.048 120.611 7.437 18282 10393 1 17 . 1 1 103 103 ALA HA H 104 4.288 4.288 4.049 0.239 18282 10394 1 17 . 1 1 103 103 ALA C C 104 177.344 177.344 178.351 -1.007 18282 10395 1 17 . 1 1 103 103 ALA CA C 104 52.194 52.194 54.447 -2.253 18282 10396 1 17 . 1 1 103 103 ALA CB C 104 19.021 19.021 18.716 0.305 18282 10397 1 17 . 1 1 103 103 ALA H H 104 8.374 8.374 7.650 0.724 18282 10398 1 17 . 1 1 104 104 GLN N N 105 120.285 120.285 117.834 2.451 18282 10399 1 17 . 1 1 104 104 GLN HA H 105 4.281 4.281 4.121 0.160 18282 10400 1 17 . 1 1 104 104 GLN CA C 105 55.656 55.656 57.931 -2.275 18282 10401 1 17 . 1 1 104 104 GLN CB C 105 32.581 32.581 29.575 3.006 18282 10402 1 17 . 1 1 104 104 GLN H H 105 8.374 8.374 7.688 0.686 18282 10403 1 17 . 1 1 105 105 THR HA H 106 4.293 4.293 4.474 -0.181 18282 10404 1 17 . 1 1 105 105 THR C C 106 174.384 174.384 172.817 1.567 18282 10405 1 17 . 1 1 105 105 THR CA C 106 61.663 61.663 61.871 -0.208 18282 10406 1 17 . 1 1 105 105 THR CB C 106 69.458 69.458 70.040 -0.582 18282 10407 1 17 . 1 1 106 106 GLU N N 107 122.744 122.744 124.937 -2.193 18282 10408 1 17 . 1 1 106 106 GLU HA H 107 4.241 4.241 4.614 -0.373 18282 10409 1 17 . 1 1 106 106 GLU C C 107 176.331 176.331 176.060 0.271 18282 10410 1 17 . 1 1 106 106 GLU CA C 107 56.621 56.621 55.360 1.261 18282 10411 1 17 . 1 1 106 106 GLU CB C 107 30.004 30.004 31.622 -1.618 18282 10412 1 17 . 1 1 106 106 GLU H H 107 8.415 8.415 8.492 -0.077 18282 10413 1 17 . 1 1 107 107 GLU N N 108 121.993 121.993 122.089 -0.096 18282 10414 1 17 . 1 1 107 107 GLU HA H 108 4.184 4.184 4.303 -0.119 18282 10415 1 17 . 1 1 107 107 GLU C C 108 176.404 176.404 178.155 -1.751 18282 10416 1 17 . 1 1 107 107 GLU CA C 108 56.721 56.721 56.311 0.410 18282 10417 1 17 . 1 1 107 107 GLU CB C 108 29.770 29.770 30.137 -0.367 18282 10418 1 17 . 1 1 107 107 GLU H H 108 8.334 8.334 8.743 -0.409 18282 10419 1 17 . 1 1 108 108 ILE N N 109 122.204 122.204 121.475 0.729 18282 10420 1 17 . 1 1 108 108 ILE HA H 109 4.052 4.052 3.914 0.138 18282 10421 1 17 . 1 1 108 108 ILE C C 109 176.261 176.261 175.702 0.559 18282 10422 1 17 . 1 1 108 108 ILE CA C 109 61.245 61.245 63.391 -2.146 18282 10423 1 17 . 1 1 108 108 ILE CB C 109 38.157 38.157 37.768 0.389 18282 10424 1 17 . 1 1 108 108 ILE H H 109 8.068 8.068 8.760 -0.692 18282 10425 1 17 . 1 1 109 109 LEU N N 110 125.608 125.608 119.304 6.304 18282 10426 1 17 . 1 1 109 109 LEU HA H 110 4.295 4.295 4.427 -0.132 18282 10427 1 17 . 1 1 109 109 LEU C C 110 177.275 177.275 176.483 0.792 18282 10428 1 17 . 1 1 109 109 LEU CA C 110 55.103 55.103 54.474 0.629 18282 10429 1 17 . 1 1 109 109 LEU CB C 110 41.929 41.929 42.148 -0.219 18282 10430 1 17 . 1 1 109 109 LEU H H 110 8.187 8.187 7.460 0.727 18282 10431 1 17 . 1 1 110 110 LYS N N 111 122.154 122.154 120.103 2.051 18282 10432 1 17 . 1 1 110 110 LYS HA H 111 4.278 4.278 4.457 -0.179 18282 10433 1 17 . 1 1 110 110 LYS C C 111 176.606 176.606 175.536 1.070 18282 10434 1 17 . 1 1 110 110 LYS CA C 111 56.125 56.125 55.934 0.191 18282 10435 1 17 . 1 1 110 110 LYS CB C 111 32.423 32.423 34.103 -1.680 18282 10436 1 17 . 1 1 110 110 LYS H H 111 8.206 8.206 7.891 0.315 18282 10437 1 17 . 1 1 111 111 SER N N 112 116.381 116.381 123.407 -7.026 18282 10438 1 17 . 1 1 111 111 SER HA H 112 4.395 4.395 4.610 -0.215 18282 10439 1 17 . 1 1 111 111 SER C C 112 175.168 175.168 175.365 -0.197 18282 10440 1 17 . 1 1 111 111 SER CA C 112 58.456 58.456 57.916 0.541 18282 10441 1 17 . 1 1 111 111 SER CB C 112 63.495 63.495 64.147 -0.652 18282 10442 1 17 . 1 1 111 111 SER H H 112 8.217 8.217 8.276 -0.059 18282 10443 1 17 . 1 1 112 112 ASN N N 113 119.799 119.799 119.394 0.405 18282 10444 1 17 . 1 1 112 112 ASN HA H 113 4.699 4.699 4.621 0.078 18282 10445 1 17 . 1 1 112 112 ASN C C 113 175.552 175.552 175.533 0.019 18282 10446 1 17 . 1 1 112 112 ASN CA C 113 53.592 53.592 54.796 -1.204 18282 10447 1 17 . 1 1 112 112 ASN CB C 113 38.772 38.772 38.840 -0.068 18282 10448 1 17 . 1 1 112 112 ASN H H 113 7.950 7.950 8.485 -0.535 18282 10449 1 17 . 1 1 113 113 SER N N 114 115.430 115.430 113.791 1.639 18282 10450 1 17 . 1 1 113 113 SER HA H 114 4.382 4.382 4.659 -0.277 18282 10451 1 17 . 1 1 113 113 SER C C 114 174.558 174.558 173.032 1.526 18282 10452 1 17 . 1 1 113 113 SER CA C 114 58.919 58.919 57.663 1.256 18282 10453 1 17 . 1 1 113 113 SER CB C 114 63.494 63.494 65.043 -1.549 18282 10454 1 17 . 1 1 113 113 SER H H 114 7.970 7.970 7.790 0.180 18282 10455 1 17 . 1 1 114 114 GLN N N 115 121.973 121.973 127.379 -5.406 18282 10456 1 17 . 1 1 114 114 GLN HA H 115 4.347 4.347 4.389 -0.042 18282 10457 1 17 . 1 1 114 114 GLN C C 115 176.246 176.246 176.545 -0.299 18282 10458 1 17 . 1 1 114 114 GLN CA C 115 56.036 56.036 56.172 -0.136 18282 10459 1 17 . 1 1 114 114 GLN CB C 115 29.196 29.196 27.934 1.262 18282 10460 1 17 . 1 1 114 114 GLN H H 115 8.382 8.382 8.834 -0.452 18282 10461 1 17 . 1 1 115 115 THR N N 116 114.701 114.701 116.265 -1.564 18282 10462 1 17 . 1 1 115 115 THR HA H 116 4.238 4.238 4.093 0.145 18282 10463 1 17 . 1 1 115 115 THR C C 116 174.276 174.276 175.635 -1.359 18282 10464 1 17 . 1 1 115 115 THR CA C 116 62.221 62.221 64.641 -2.420 18282 10465 1 17 . 1 1 115 115 THR CB C 116 69.405 69.405 68.963 0.442 18282 10466 1 17 . 1 1 115 115 THR H H 116 8.070 8.070 8.275 -0.205 18282 10467 1 17 . 1 1 116 116 ASP N N 117 122.566 122.566 122.542 0.024 18282 10468 1 17 . 1 1 116 116 ASP HA H 117 4.575 4.575 4.441 0.134 18282 10469 1 17 . 1 1 116 116 ASP C C 117 176.241 176.241 176.522 -0.281 18282 10470 1 17 . 1 1 116 116 ASP CA C 117 54.286 54.286 55.630 -1.344 18282 10471 1 17 . 1 1 116 116 ASP CB C 117 40.609 40.609 41.276 -0.667 18282 10472 1 17 . 1 1 116 116 ASP H H 117 8.288 8.288 8.581 -0.293 18282 10473 1 17 . 1 1 117 117 LEU N N 118 122.118 122.118 120.355 1.763 18282 10474 1 17 . 1 1 117 117 LEU HA H 118 4.163 4.163 4.537 -0.374 18282 10475 1 17 . 1 1 117 117 LEU C C 118 177.637 177.637 175.297 2.340 18282 10476 1 17 . 1 1 117 117 LEU CA C 118 55.475 55.475 54.236 1.239 18282 10477 1 17 . 1 1 117 117 LEU CB C 118 41.964 41.964 44.250 -2.286 18282 10478 1 17 . 1 1 117 117 LEU H H 118 8.088 8.088 7.559 0.529 18282 10479 1 17 . 1 1 118 118 GLU N N 119 119.527 119.527 123.352 -3.825 18282 10480 1 17 . 1 1 118 118 GLU HA H 119 4.086 4.086 4.596 -0.510 18282 10481 1 17 . 1 1 118 118 GLU C C 119 176.265 176.265 176.022 0.243 18282 10482 1 17 . 1 1 118 118 GLU CA C 119 56.569 56.569 55.592 0.977 18282 10483 1 17 . 1 1 118 118 GLU CB C 119 29.486 29.486 30.659 -1.173 18282 10484 1 17 . 1 1 118 118 GLU H H 119 8.134 8.134 8.366 -0.232 18282 10485 1 17 . 1 1 119 119 HIS N N 120 118.076 118.076 121.516 -3.440 18282 10486 1 17 . 1 1 119 119 HIS HA H 120 4.485 4.485 4.231 0.254 18282 10487 1 17 . 1 1 119 119 HIS CA C 120 55.422 55.422 58.488 -3.066 18282 10488 1 17 . 1 1 119 119 HIS CB C 120 28.628 28.628 30.030 -1.402 18282 10489 1 17 . 1 1 119 119 HIS H H 120 8.134 8.134 8.928 -0.794 18282 10490 1 17 . 1 1 120 120 HIS N N 121 119.323 119.323 116.164 3.159 18282 10491 1 17 . 1 1 120 120 HIS HA H 121 4.242 4.242 4.715 -0.473 18282 10492 1 17 . 1 1 120 120 HIS CA C 121 56.732 56.732 54.740 1.992 18282 10493 1 17 . 1 1 120 120 HIS H H 121 8.372 8.372 8.031 0.341 18282 10494 1 17 . 1 1 121 121 HIS N N 122 126.032 126.032 124.378 1.654 18282 10495 1 17 . 1 1 121 121 HIS CA C 122 57.036 57.036 55.729 1.307 18282 10496 1 17 . 1 1 121 121 HIS CB C 122 29.923 29.923 29.952 -0.029 18282 10497 1 17 . 1 1 121 121 HIS H H 122 7.900 7.900 8.589 -0.689 18282 10498 1 17 . 1 1 122 122 HIS N N 123 121.012 121.012 125.826 -4.814 18282 10499 1 17 . 1 1 122 122 HIS HA H 123 4.595 4.595 4.610 -0.015 18282 10500 1 17 . 1 1 122 122 HIS CA C 123 55.372 55.372 55.425 -0.053 18282 10501 1 17 . 1 1 122 122 HIS CB C 123 29.165 29.165 30.331 -1.166 18282 10502 1 17 . 1 1 122 122 HIS H H 123 8.595 8.595 8.475 0.120 18282 10503 1 17 . 1 1 123 123 HIS N N 124 120.343 120.343 124.368 -4.025 18282 10504 1 17 . 1 1 123 123 HIS CA C 124 57.380 57.380 57.921 -0.541 18282 10505 1 17 . 1 1 123 123 HIS CB C 124 35.491 35.491 30.522 4.969 18282 10506 1 17 . 1 1 123 123 HIS H H 124 8.558 8.558 8.861 -0.303 18282 10507 1 18 . 1 1 2 2 GLN N N 3 122.228 122.228 119.785 2.443 18282 10508 1 18 . 1 1 2 2 GLN HA H 3 3.896 3.896 3.938 -0.042 18282 10509 1 18 . 1 1 2 2 GLN C C 3 178.672 178.672 178.055 0.617 18282 10510 1 18 . 1 1 2 2 GLN CA C 3 58.794 58.794 58.392 0.402 18282 10511 1 18 . 1 1 2 2 GLN H H 3 9.310 9.310 8.502 0.808 18282 10512 1 18 . 1 1 3 3 GLU N N 4 119.529 119.529 120.987 -1.458 18282 10513 1 18 . 1 1 3 3 GLU C C 4 175.504 175.504 178.604 -3.100 18282 10514 1 18 . 1 1 3 3 GLU CA C 4 59.561 59.561 58.789 0.772 18282 10515 1 18 . 1 1 3 3 GLU CB C 4 28.876 28.876 29.133 -0.257 18282 10516 1 18 . 1 1 3 3 GLU H H 4 8.489 8.489 8.522 -0.033 18282 10517 1 18 . 1 1 4 4 LEU N N 5 114.832 114.832 121.263 -6.431 18282 10518 1 18 . 1 1 4 4 LEU HA H 5 3.716 3.716 3.964 -0.248 18282 10519 1 18 . 1 1 4 4 LEU C C 5 178.276 178.276 177.916 0.360 18282 10520 1 18 . 1 1 4 4 LEU CA C 5 57.813 57.813 57.840 -0.027 18282 10521 1 18 . 1 1 4 4 LEU CB C 5 40.844 40.844 41.821 -0.977 18282 10522 1 18 . 1 1 4 4 LEU H H 5 8.210 8.210 8.571 -0.361 18282 10523 1 18 . 1 1 5 5 SER N N 6 109.726 109.726 115.006 -5.280 18282 10524 1 18 . 1 1 5 5 SER HA H 6 4.127 4.127 4.150 -0.023 18282 10525 1 18 . 1 1 5 5 SER C C 6 178.508 178.508 176.912 1.596 18282 10526 1 18 . 1 1 5 5 SER CA C 6 60.401 60.401 61.139 -0.737 18282 10527 1 18 . 1 1 5 5 SER CB C 6 63.535 63.535 62.637 0.898 18282 10528 1 18 . 1 1 5 5 SER H H 6 8.247 8.247 8.086 0.161 18282 10529 1 18 . 1 1 6 6 GLN N N 7 117.203 117.203 120.271 -3.068 18282 10530 1 18 . 1 1 6 6 GLN HA H 7 4.026 4.026 4.077 -0.051 18282 10531 1 18 . 1 1 6 6 GLN CA C 7 58.474 58.474 58.658 -0.184 18282 10532 1 18 . 1 1 6 6 GLN H H 7 8.719 8.719 8.678 0.041 18282 10533 1 18 . 1 1 7 7 HIS C C 8 178.622 178.622 177.219 1.403 18282 10534 1 18 . 1 1 8 8 GLU N N 9 120.357 120.357 119.207 1.150 18282 10535 1 18 . 1 1 8 8 GLU HA H 9 3.969 3.969 3.970 -0.001 18282 10536 1 18 . 1 1 8 8 GLU C C 9 178.408 178.408 179.078 -0.670 18282 10537 1 18 . 1 1 8 8 GLU CA C 9 58.244 58.244 59.559 -1.315 18282 10538 1 18 . 1 1 8 8 GLU CB C 9 29.013 29.013 29.607 -0.594 18282 10539 1 18 . 1 1 8 8 GLU H H 9 7.701 7.701 7.832 -0.131 18282 10540 1 18 . 1 1 9 9 ARG N N 10 118.791 118.791 117.668 1.123 18282 10541 1 18 . 1 1 9 9 ARG HA H 10 4.124 4.124 4.049 0.075 18282 10542 1 18 . 1 1 9 9 ARG C C 10 178.599 178.599 178.563 0.036 18282 10543 1 18 . 1 1 9 9 ARG CA C 10 58.633 58.633 57.646 0.987 18282 10544 1 18 . 1 1 9 9 ARG CB C 10 29.005 29.005 29.482 -0.477 18282 10545 1 18 . 1 1 9 9 ARG H H 10 8.910 8.910 7.674 1.236 18282 10546 1 18 . 1 1 10 10 TYR N N 11 121.239 121.239 121.918 -0.679 18282 10547 1 18 . 1 1 10 10 TYR HA H 11 4.186 4.186 4.148 0.038 18282 10548 1 18 . 1 1 10 10 TYR C C 11 176.644 176.644 177.989 -1.345 18282 10549 1 18 . 1 1 10 10 TYR CA C 11 61.311 61.311 61.950 -0.639 18282 10550 1 18 . 1 1 10 10 TYR CB C 11 37.956 37.956 38.072 -0.116 18282 10551 1 18 . 1 1 10 10 TYR H H 11 7.562 7.562 8.125 -0.563 18282 10552 1 18 . 1 1 11 11 VAL N N 12 119.249 119.249 119.009 0.240 18282 10553 1 18 . 1 1 11 11 VAL HA H 12 3.119 3.119 3.622 -0.502 18282 10554 1 18 . 1 1 11 11 VAL C C 12 177.275 177.275 178.257 -0.982 18282 10555 1 18 . 1 1 11 11 VAL CA C 12 66.925 66.925 66.448 0.477 18282 10556 1 18 . 1 1 11 11 VAL CB C 12 30.981 30.981 31.519 -0.538 18282 10557 1 18 . 1 1 11 11 VAL H H 12 8.087 8.087 7.633 0.454 18282 10558 1 18 . 1 1 12 12 GLU N N 13 119.569 119.569 118.145 1.424 18282 10559 1 18 . 1 1 12 12 GLU HA H 13 4.213 4.213 4.040 0.173 18282 10560 1 18 . 1 1 12 12 GLU C C 13 175.207 175.207 178.966 -3.759 18282 10561 1 18 . 1 1 12 12 GLU CA C 13 55.971 55.971 58.748 -2.777 18282 10562 1 18 . 1 1 12 12 GLU CB C 13 28.439 28.439 29.519 -1.080 18282 10563 1 18 . 1 1 12 12 GLU H H 13 8.312 8.312 7.543 0.769 18282 10564 1 18 . 1 1 13 13 GLN N N 14 119.375 119.375 120.399 -1.024 18282 10565 1 18 . 1 1 13 13 GLN HA H 14 3.657 3.657 4.072 -0.415 18282 10566 1 18 . 1 1 13 13 GLN CA C 14 54.294 54.294 58.043 -3.749 18282 10567 1 18 . 1 1 13 13 GLN CB C 14 29.681 29.681 28.559 1.122 18282 10568 1 18 . 1 1 13 13 GLN H H 14 7.690 7.690 8.709 -1.019 18282 10569 1 18 . 1 1 14 14 LEU HA H 15 3.865 3.865 3.751 0.114 18282 10570 1 18 . 1 1 14 14 LEU CA C 15 58.177 58.177 57.350 0.827 18282 10571 1 18 . 1 1 14 14 LEU CB C 15 40.693 40.693 40.878 -0.185 18282 10572 1 18 . 1 1 15 15 LYS HA H 16 3.737 3.737 3.835 -0.098 18282 10573 1 18 . 1 1 15 15 LYS C C 16 177.817 177.817 179.312 -1.495 18282 10574 1 18 . 1 1 15 15 LYS CA C 16 60.352 60.352 59.520 0.832 18282 10575 1 18 . 1 1 15 15 LYS CB C 16 32.106 32.106 32.009 0.097 18282 10576 1 18 . 1 1 16 16 GLN N N 17 117.498 117.498 118.630 -1.132 18282 10577 1 18 . 1 1 16 16 GLN HA H 17 3.864 3.864 3.980 -0.116 18282 10578 1 18 . 1 1 16 16 GLN CA C 17 58.307 58.307 58.418 -0.111 18282 10579 1 18 . 1 1 16 16 GLN CB C 17 27.788 27.788 28.538 -0.750 18282 10580 1 18 . 1 1 16 16 GLN H H 17 7.862 7.862 7.426 0.436 18282 10581 1 18 . 1 1 17 17 ALA HA H 18 3.793 3.793 3.991 -0.198 18282 10582 1 18 . 1 1 17 17 ALA C C 18 179.147 179.147 179.201 -0.054 18282 10583 1 18 . 1 1 17 17 ALA CA C 18 54.792 54.792 54.720 0.072 18282 10584 1 18 . 1 1 17 17 ALA CB C 18 17.693 17.693 18.208 -0.515 18282 10585 1 18 . 1 1 18 18 LEU N N 19 117.278 117.278 117.582 -0.304 18282 10586 1 18 . 1 1 18 18 LEU HA H 19 3.784 3.784 3.931 -0.147 18282 10587 1 18 . 1 1 18 18 LEU C C 19 174.935 174.935 178.363 -3.428 18282 10588 1 18 . 1 1 18 18 LEU CA C 19 57.731 57.731 56.598 1.133 18282 10589 1 18 . 1 1 18 18 LEU CB C 19 40.703 40.703 41.689 -0.986 18282 10590 1 18 . 1 1 18 18 LEU H H 19 8.168 8.168 7.315 0.853 18282 10591 1 18 . 1 1 19 19 LYS N N 20 118.025 118.025 120.528 -2.503 18282 10592 1 18 . 1 1 19 19 LYS C C 20 177.982 177.982 179.266 -1.284 18282 10593 1 18 . 1 1 19 19 LYS CA C 20 60.439 60.439 59.320 1.119 18282 10594 1 18 . 1 1 19 19 LYS H H 20 8.345 8.345 7.653 0.692 18282 10595 1 18 . 1 1 20 20 THR N N 21 116.345 116.345 112.376 3.969 18282 10596 1 18 . 1 1 20 20 THR HA H 21 4.126 4.126 4.139 -0.013 18282 10597 1 18 . 1 1 20 20 THR C C 21 175.469 175.469 175.856 -0.387 18282 10598 1 18 . 1 1 20 20 THR CA C 21 64.643 64.643 63.899 0.744 18282 10599 1 18 . 1 1 20 20 THR CB C 21 68.652 68.652 68.576 0.076 18282 10600 1 18 . 1 1 20 20 THR H H 21 7.896 7.896 7.649 0.247 18282 10601 1 18 . 1 1 21 21 ARG N N 22 118.792 118.792 120.019 -1.227 18282 10602 1 18 . 1 1 21 21 ARG HA H 22 4.375 4.375 4.270 0.105 18282 10603 1 18 . 1 1 21 21 ARG C C 22 176.364 176.364 176.917 -0.553 18282 10604 1 18 . 1 1 21 21 ARG CA C 22 54.157 54.157 54.959 -0.802 18282 10605 1 18 . 1 1 21 21 ARG CB C 22 29.453 29.453 29.016 0.437 18282 10606 1 18 . 1 1 21 21 ARG H H 22 7.317 7.317 7.734 -0.417 18282 10607 1 18 . 1 1 22 22 GLY N N 23 108.428 108.428 106.457 1.971 18282 10608 1 18 . 1 1 22 22 GLY C C 23 174.154 174.154 174.148 0.006 18282 10609 1 18 . 1 1 22 22 GLY CA C 23 45.953 45.953 45.325 0.628 18282 10610 1 18 . 1 1 22 22 GLY H H 23 7.881 7.881 7.665 0.216 18282 10611 1 18 . 1 1 23 23 VAL N N 24 117.319 117.319 119.269 -1.950 18282 10612 1 18 . 1 1 23 23 VAL HA H 24 4.036 4.036 4.257 -0.221 18282 10613 1 18 . 1 1 23 23 VAL C C 24 175.601 175.601 175.217 0.384 18282 10614 1 18 . 1 1 23 23 VAL CA C 24 61.635 61.635 60.016 1.619 18282 10615 1 18 . 1 1 23 23 VAL CB C 24 32.589 32.589 34.027 -1.438 18282 10616 1 18 . 1 1 23 23 VAL H H 24 7.431 7.431 7.257 0.174 18282 10617 1 18 . 1 1 24 24 LYS N N 25 127.424 127.424 122.811 4.613 18282 10618 1 18 . 1 1 24 24 LYS HA H 25 4.336 4.336 4.721 -0.385 18282 10619 1 18 . 1 1 24 24 LYS C C 25 175.550 175.550 174.929 0.621 18282 10620 1 18 . 1 1 24 24 LYS CA C 25 55.811 55.811 55.408 0.403 18282 10621 1 18 . 1 1 24 24 LYS CB C 25 32.269 32.269 33.950 -1.681 18282 10622 1 18 . 1 1 24 24 LYS H H 25 8.665 8.665 8.345 0.320 18282 10623 1 18 . 1 1 25 25 VAL N N 26 120.764 120.764 119.072 1.692 18282 10624 1 18 . 1 1 25 25 VAL HA H 26 4.140 4.140 4.386 -0.246 18282 10625 1 18 . 1 1 25 25 VAL C C 26 174.206 174.206 175.285 -1.079 18282 10626 1 18 . 1 1 25 25 VAL CA C 26 60.316 60.316 60.253 0.063 18282 10627 1 18 . 1 1 25 25 VAL CB C 26 33.920 33.920 32.166 1.754 18282 10628 1 18 . 1 1 25 25 VAL H H 26 7.545 7.545 8.239 -0.694 18282 10629 1 18 . 1 1 26 26 LYS N N 27 125.707 125.707 125.687 0.020 18282 10630 1 18 . 1 1 26 26 LYS HA H 27 4.115 4.115 4.546 -0.431 18282 10631 1 18 . 1 1 26 26 LYS CA C 27 55.211 55.211 54.775 0.436 18282 10632 1 18 . 1 1 26 26 LYS CB C 27 31.930 31.930 34.117 -2.187 18282 10633 1 18 . 1 1 26 26 LYS H H 27 8.608 8.608 7.820 0.788 18282 10634 1 18 . 1 1 27 27 TYR CA C 28 56.418 56.418 61.703 -5.285 18282 10635 1 18 . 1 1 27 27 TYR CB C 28 37.036 37.036 36.927 0.109 18282 10636 1 18 . 1 1 28 28 ALA N N 29 120.712 120.712 120.618 0.094 18282 10637 1 18 . 1 1 28 28 ALA HA H 29 3.712 3.712 4.044 -0.332 18282 10638 1 18 . 1 1 28 28 ALA C C 29 180.210 180.210 179.690 0.520 18282 10639 1 18 . 1 1 28 28 ALA CA C 29 54.911 54.911 54.574 0.337 18282 10640 1 18 . 1 1 28 28 ALA CB C 29 18.034 18.034 17.461 0.573 18282 10641 1 18 . 1 1 28 28 ALA H H 29 8.326 8.326 8.391 -0.065 18282 10642 1 18 . 1 1 29 29 ASP N N 30 117.166 117.166 119.388 -2.222 18282 10643 1 18 . 1 1 29 29 ASP HA H 30 4.379 4.379 4.498 -0.119 18282 10644 1 18 . 1 1 29 29 ASP C C 30 178.427 178.427 178.298 0.129 18282 10645 1 18 . 1 1 29 29 ASP CA C 30 56.459 56.459 57.208 -0.749 18282 10646 1 18 . 1 1 29 29 ASP CB C 30 39.962 39.962 40.647 -0.685 18282 10647 1 18 . 1 1 29 29 ASP H H 30 6.913 6.913 8.575 -1.662 18282 10648 1 18 . 1 1 30 30 LEU N N 31 123.105 123.105 120.227 2.878 18282 10649 1 18 . 1 1 30 30 LEU HA H 31 3.491 3.491 4.170 -0.679 18282 10650 1 18 . 1 1 30 30 LEU CA C 31 56.841 56.841 57.975 -1.135 18282 10651 1 18 . 1 1 30 30 LEU CB C 31 40.888 40.888 42.039 -1.151 18282 10652 1 18 . 1 1 30 30 LEU H H 31 7.543 7.543 7.549 -0.006 18282 10653 1 18 . 1 1 31 31 LEU HA H 32 3.611 3.611 3.918 -0.307 18282 10654 1 18 . 1 1 31 31 LEU C C 32 179.120 179.120 179.407 -0.287 18282 10655 1 18 . 1 1 31 31 LEU CA C 32 58.103 58.103 58.185 -0.082 18282 10656 1 18 . 1 1 31 31 LEU CB C 32 40.594 40.594 41.075 -0.481 18282 10657 1 18 . 1 1 32 32 LYS N N 33 118.074 118.074 118.996 -0.922 18282 10658 1 18 . 1 1 32 32 LYS HA H 33 4.202 4.202 3.940 0.262 18282 10659 1 18 . 1 1 32 32 LYS C C 33 180.044 180.044 178.702 1.342 18282 10660 1 18 . 1 1 32 32 LYS CA C 33 59.081 59.081 58.991 0.090 18282 10661 1 18 . 1 1 32 32 LYS CB C 33 31.735 31.735 32.400 -0.665 18282 10662 1 18 . 1 1 32 32 LYS H H 33 7.189 7.189 7.577 -0.388 18282 10663 1 18 . 1 1 33 33 PHE N N 34 122.977 122.977 118.831 4.146 18282 10664 1 18 . 1 1 33 33 PHE CA C 34 60.402 60.402 62.223 -1.821 18282 10665 1 18 . 1 1 33 33 PHE H H 34 7.768 7.768 8.745 -0.977 18282 10666 1 18 . 1 1 34 34 PHE HA H 35 3.800 3.800 4.145 -0.345 18282 10667 1 18 . 1 1 34 34 PHE C C 35 176.355 176.355 177.153 -0.798 18282 10668 1 18 . 1 1 34 34 PHE CA C 35 61.813 61.813 62.171 -0.358 18282 10669 1 18 . 1 1 34 34 PHE CB C 35 37.164 37.164 39.054 -1.890 18282 10670 1 18 . 1 1 35 35 ASP N N 36 119.969 119.969 118.724 1.245 18282 10671 1 18 . 1 1 35 35 ASP C C 36 177.087 177.087 178.869 -1.782 18282 10672 1 18 . 1 1 35 35 ASP CA C 36 58.278 58.278 56.837 1.441 18282 10673 1 18 . 1 1 35 35 ASP CB C 36 39.578 39.578 40.354 -0.776 18282 10674 1 18 . 1 1 35 35 ASP H H 36 8.338 8.338 8.014 0.324 18282 10675 1 18 . 1 1 36 36 PHE N N 37 122.901 122.901 120.555 2.346 18282 10676 1 18 . 1 1 36 36 PHE C C 37 178.788 178.788 177.471 1.317 18282 10677 1 18 . 1 1 36 36 PHE CA C 37 61.416 61.416 60.614 0.802 18282 10678 1 18 . 1 1 36 36 PHE CB C 37 38.369 38.369 38.764 -0.395 18282 10679 1 18 . 1 1 36 36 PHE H H 37 7.860 7.860 8.064 -0.204 18282 10680 1 18 . 1 1 37 37 VAL N N 38 122.329 122.329 116.736 5.593 18282 10681 1 18 . 1 1 37 37 VAL HA H 38 3.100 3.100 3.664 -0.564 18282 10682 1 18 . 1 1 37 37 VAL C C 38 176.147 176.147 178.420 -2.273 18282 10683 1 18 . 1 1 37 37 VAL CA C 38 67.153 67.153 65.799 1.354 18282 10684 1 18 . 1 1 37 37 VAL CB C 38 30.625 30.625 31.488 -0.863 18282 10685 1 18 . 1 1 37 37 VAL H H 38 8.451 8.451 8.459 -0.008 18282 10686 1 18 . 1 1 38 38 LYS N N 39 118.837 118.837 120.284 -1.447 18282 10687 1 18 . 1 1 38 38 LYS HA H 39 3.473 3.473 3.788 -0.315 18282 10688 1 18 . 1 1 38 38 LYS C C 39 176.361 176.361 177.400 -1.039 18282 10689 1 18 . 1 1 38 38 LYS CA C 39 59.519 59.519 58.930 0.589 18282 10690 1 18 . 1 1 38 38 LYS CB C 39 31.628 31.628 32.020 -0.392 18282 10691 1 18 . 1 1 38 38 LYS H H 39 7.581 7.581 7.653 -0.072 18282 10692 1 18 . 1 1 39 39 ASP N N 40 116.210 116.210 117.898 -1.688 18282 10693 1 18 . 1 1 39 39 ASP HA H 40 4.261 4.261 4.558 -0.297 18282 10694 1 18 . 1 1 39 39 ASP CA C 40 56.580 56.580 56.138 0.442 18282 10695 1 18 . 1 1 39 39 ASP CB C 40 40.977 40.977 41.029 -0.052 18282 10696 1 18 . 1 1 39 39 ASP H H 40 8.052 8.052 7.824 0.228 18282 10697 1 18 . 1 1 40 40 THR N N 41 109.215 109.215 110.670 -1.455 18282 10698 1 18 . 1 1 40 40 THR C C 41 174.559 174.559 175.733 -1.174 18282 10699 1 18 . 1 1 40 40 THR H H 41 7.232 7.232 8.378 -1.146 18282 10700 1 18 . 1 1 41 41 CYS N N 42 117.927 117.927 122.704 -4.777 18282 10701 1 18 . 1 1 41 41 CYS CA C 42 55.865 55.865 59.620 -3.755 18282 10702 1 18 . 1 1 41 41 CYS CB C 42 28.500 28.500 25.796 2.704 18282 10703 1 18 . 1 1 41 41 CYS H H 42 7.197 7.197 8.259 -1.062 18282 10704 1 18 . 1 1 42 42 PRO HA H 43 3.987 3.987 4.404 -0.417 18282 10705 1 18 . 1 1 42 42 PRO C C 43 176.688 176.688 176.780 -0.092 18282 10706 1 18 . 1 1 42 42 PRO CA C 43 65.206 65.206 64.836 0.370 18282 10707 1 18 . 1 1 42 42 PRO CB C 43 30.767 30.767 32.648 -1.881 18282 10708 1 18 . 1 1 43 43 TRP N N 44 113.805 113.805 115.602 -1.797 18282 10709 1 18 . 1 1 43 43 TRP HA H 44 4.361 4.361 4.843 -0.482 18282 10710 1 18 . 1 1 43 43 TRP C C 44 176.982 176.982 174.735 2.247 18282 10711 1 18 . 1 1 43 43 TRP CA C 44 61.758 61.758 56.056 5.702 18282 10712 1 18 . 1 1 43 43 TRP CB C 44 27.771 27.771 29.759 -1.988 18282 10713 1 18 . 1 1 43 43 TRP H H 44 6.632 6.632 7.641 -1.009 18282 10714 1 18 . 1 1 44 44 PHE N N 45 123.019 123.019 117.012 6.007 18282 10715 1 18 . 1 1 44 44 PHE HA H 45 4.043 4.043 4.008 0.035 18282 10716 1 18 . 1 1 44 44 PHE CA C 45 62.990 62.990 56.976 6.014 18282 10717 1 18 . 1 1 44 44 PHE CB C 45 35.109 35.109 38.045 -2.936 18282 10718 1 18 . 1 1 44 44 PHE H H 45 7.302 7.302 7.858 -0.556 18282 10719 1 18 . 1 1 45 45 PRO HA H 46 4.015 4.015 3.955 0.060 18282 10720 1 18 . 1 1 45 45 PRO C C 46 176.462 176.462 177.416 -0.954 18282 10721 1 18 . 1 1 45 45 PRO CA C 46 64.582 64.582 63.511 1.071 18282 10722 1 18 . 1 1 45 45 PRO CB C 46 30.254 30.254 31.377 -1.123 18282 10723 1 18 . 1 1 46 46 GLN N N 47 114.404 114.404 117.030 -2.626 18282 10724 1 18 . 1 1 46 46 GLN HA H 47 3.941 3.941 3.396 0.545 18282 10725 1 18 . 1 1 46 46 GLN C C 47 177.234 177.234 176.614 0.620 18282 10726 1 18 . 1 1 46 46 GLN CA C 47 58.328 58.328 58.153 0.175 18282 10727 1 18 . 1 1 46 46 GLN CB C 47 28.471 28.471 27.688 0.784 18282 10728 1 18 . 1 1 46 46 GLN H H 47 6.544 6.544 7.741 -1.197 18282 10729 1 18 . 1 1 47 47 GLU N N 48 117.356 117.356 116.844 0.512 18282 10730 1 18 . 1 1 47 47 GLU HA H 48 4.085 4.085 4.018 0.067 18282 10731 1 18 . 1 1 47 47 GLU C C 48 179.130 179.130 176.689 2.441 18282 10732 1 18 . 1 1 47 47 GLU CA C 48 58.215 58.215 57.791 0.424 18282 10733 1 18 . 1 1 47 47 GLU CB C 48 29.247 29.247 30.110 -0.863 18282 10734 1 18 . 1 1 47 47 GLU H H 48 7.710 7.710 7.161 0.549 18282 10735 1 18 . 1 1 48 48 GLY N N 49 105.456 105.456 104.527 0.929 18282 10736 1 18 . 1 1 48 48 GLY C C 49 171.006 171.006 175.072 -4.066 18282 10737 1 18 . 1 1 48 48 GLY CA C 49 47.085 47.085 44.593 2.492 18282 10738 1 18 . 1 1 48 48 GLY H H 49 7.296 7.296 7.135 0.161 18282 10739 1 18 . 1 1 49 49 THR N N 50 114.015 114.015 114.753 -0.738 18282 10740 1 18 . 1 1 49 49 THR HA H 50 4.248 4.248 4.309 -0.061 18282 10741 1 18 . 1 1 49 49 THR CA C 50 61.830 61.830 63.164 -1.334 18282 10742 1 18 . 1 1 49 49 THR CB C 50 70.692 70.692 69.933 0.759 18282 10743 1 18 . 1 1 49 49 THR H H 50 7.599 7.599 8.048 -0.449 18282 10744 1 18 . 1 1 50 50 ILE HA H 51 4.135 4.135 4.384 -0.249 18282 10745 1 18 . 1 1 50 50 ILE C C 51 172.608 172.608 173.785 -1.177 18282 10746 1 18 . 1 1 50 50 ILE CA C 51 59.075 59.075 60.135 -1.060 18282 10747 1 18 . 1 1 50 50 ILE CB C 51 35.416 35.416 41.074 -5.658 18282 10748 1 18 . 1 1 51 51 ASP N N 52 121.859 121.859 124.952 -3.093 18282 10749 1 18 . 1 1 51 51 ASP HA H 52 4.625 4.625 4.667 -0.042 18282 10750 1 18 . 1 1 51 51 ASP C C 52 175.770 175.770 175.722 0.048 18282 10751 1 18 . 1 1 51 51 ASP CA C 52 51.634 51.634 51.745 -0.111 18282 10752 1 18 . 1 1 51 51 ASP CB C 52 42.528 42.528 42.431 0.097 18282 10753 1 18 . 1 1 51 51 ASP H H 52 7.176 7.176 6.970 0.206 18282 10754 1 18 . 1 1 52 52 ILE N N 53 119.549 119.549 125.936 -6.387 18282 10755 1 18 . 1 1 52 52 ILE HA H 53 4.150 4.150 3.885 0.265 18282 10756 1 18 . 1 1 52 52 ILE C C 53 176.961 176.961 177.535 -0.574 18282 10757 1 18 . 1 1 52 52 ILE CA C 53 61.899 61.899 62.844 -0.945 18282 10758 1 18 . 1 1 52 52 ILE CB C 53 37.700 37.700 37.832 -0.132 18282 10759 1 18 . 1 1 52 52 ILE H H 53 8.777 8.777 8.766 0.011 18282 10760 1 18 . 1 1 53 53 LYS N N 54 123.515 123.515 120.596 2.919 18282 10761 1 18 . 1 1 53 53 LYS HA H 54 4.116 4.116 3.953 0.163 18282 10762 1 18 . 1 1 53 53 LYS C C 54 180.448 180.448 178.902 1.546 18282 10763 1 18 . 1 1 53 53 LYS CA C 54 59.934 59.934 59.819 0.115 18282 10764 1 18 . 1 1 53 53 LYS CB C 54 31.875 31.875 32.320 -0.445 18282 10765 1 18 . 1 1 53 53 LYS H H 54 8.106 8.106 8.094 0.012 18282 10766 1 18 . 1 1 54 54 ARG N N 55 120.371 120.371 118.988 1.383 18282 10767 1 18 . 1 1 54 54 ARG HA H 55 4.422 4.422 4.100 0.322 18282 10768 1 18 . 1 1 54 54 ARG C C 55 179.159 179.159 178.207 0.952 18282 10769 1 18 . 1 1 54 54 ARG CA C 55 59.726 59.726 59.123 0.604 18282 10770 1 18 . 1 1 54 54 ARG CB C 55 37.368 37.368 30.321 7.047 18282 10771 1 18 . 1 1 54 54 ARG H H 55 9.183 9.183 7.889 1.294 18282 10772 1 18 . 1 1 55 55 TRP N N 56 120.755 120.755 121.344 -0.589 18282 10773 1 18 . 1 1 55 55 TRP HA H 56 4.747 4.747 4.256 0.491 18282 10774 1 18 . 1 1 55 55 TRP C C 56 179.954 179.954 177.522 2.432 18282 10775 1 18 . 1 1 55 55 TRP CA C 56 60.105 60.105 59.711 0.394 18282 10776 1 18 . 1 1 55 55 TRP CB C 56 29.997 29.997 29.258 0.739 18282 10777 1 18 . 1 1 55 55 TRP H H 56 8.927 8.927 7.802 1.125 18282 10778 1 18 . 1 1 56 56 ARG N N 57 122.194 122.194 119.416 2.778 18282 10779 1 18 . 1 1 56 56 ARG HA H 57 4.406 4.406 3.404 1.002 18282 10780 1 18 . 1 1 56 56 ARG C C 57 178.101 178.101 177.778 0.323 18282 10781 1 18 . 1 1 56 56 ARG CA C 57 60.198 60.198 59.729 0.469 18282 10782 1 18 . 1 1 56 56 ARG CB C 57 29.585 29.585 29.553 0.032 18282 10783 1 18 . 1 1 56 56 ARG H H 57 9.220 9.220 7.561 1.659 18282 10784 1 18 . 1 1 57 57 ARG N N 58 120.674 120.674 119.188 1.486 18282 10785 1 18 . 1 1 57 57 ARG HA H 58 4.186 4.186 4.004 0.182 18282 10786 1 18 . 1 1 57 57 ARG C C 58 179.445 179.445 178.344 1.101 18282 10787 1 18 . 1 1 57 57 ARG CA C 58 59.832 59.832 59.414 0.418 18282 10788 1 18 . 1 1 57 57 ARG CB C 58 29.753 29.753 29.691 0.062 18282 10789 1 18 . 1 1 57 57 ARG H H 58 7.605 7.605 7.323 0.282 18282 10790 1 18 . 1 1 58 58 VAL N N 59 121.833 121.833 118.383 3.450 18282 10791 1 18 . 1 1 58 58 VAL HA H 59 3.675 3.675 3.959 -0.284 18282 10792 1 18 . 1 1 58 58 VAL C C 59 176.565 176.565 177.512 -0.947 18282 10793 1 18 . 1 1 58 58 VAL CA C 59 65.920 65.920 65.616 0.304 18282 10794 1 18 . 1 1 58 58 VAL CB C 59 30.785 30.785 31.349 -0.564 18282 10795 1 18 . 1 1 58 58 VAL H H 59 7.819 7.819 7.736 0.083 18282 10796 1 18 . 1 1 59 59 GLY N N 60 106.521 106.521 108.346 -1.825 18282 10797 1 18 . 1 1 59 59 GLY C C 60 175.923 175.923 175.796 0.127 18282 10798 1 18 . 1 1 59 59 GLY CA C 60 45.982 45.982 47.115 -1.133 18282 10799 1 18 . 1 1 59 59 GLY H H 60 7.540 7.540 7.696 -0.156 18282 10800 1 18 . 1 1 60 60 ASP N N 61 123.066 123.066 122.507 0.559 18282 10801 1 18 . 1 1 60 60 ASP HA H 61 4.261 4.261 4.510 -0.249 18282 10802 1 18 . 1 1 60 60 ASP C C 61 178.537 178.537 178.621 -0.084 18282 10803 1 18 . 1 1 60 60 ASP CA C 61 56.907 56.907 56.722 0.185 18282 10804 1 18 . 1 1 60 60 ASP CB C 61 39.654 39.654 40.294 -0.640 18282 10805 1 18 . 1 1 60 60 ASP H H 61 8.197 8.197 8.500 -0.303 18282 10806 1 18 . 1 1 61 61 CYS N N 62 121.005 121.005 118.940 2.065 18282 10807 1 18 . 1 1 61 61 CYS C C 62 177.083 177.083 176.860 0.223 18282 10808 1 18 . 1 1 61 61 CYS CA C 62 62.380 62.380 63.494 -1.114 18282 10809 1 18 . 1 1 61 61 CYS CB C 62 26.011 26.011 26.526 -0.515 18282 10810 1 18 . 1 1 61 61 CYS H H 62 7.858 7.858 8.132 -0.274 18282 10811 1 18 . 1 1 62 62 PHE N N 63 119.362 119.362 119.175 0.187 18282 10812 1 18 . 1 1 62 62 PHE HA H 63 4.117 4.117 4.345 -0.228 18282 10813 1 18 . 1 1 62 62 PHE C C 63 178.081 178.081 178.045 0.036 18282 10814 1 18 . 1 1 62 62 PHE CA C 63 57.843 57.843 62.264 -4.421 18282 10815 1 18 . 1 1 62 62 PHE CB C 63 36.605 36.605 38.696 -2.091 18282 10816 1 18 . 1 1 62 62 PHE H H 63 8.530 8.530 8.205 0.325 18282 10817 1 18 . 1 1 63 63 GLN N N 64 118.829 118.829 120.029 -1.200 18282 10818 1 18 . 1 1 63 63 GLN HA H 64 4.199 4.199 4.053 0.146 18282 10819 1 18 . 1 1 63 63 GLN C C 64 177.645 177.645 177.836 -0.191 18282 10820 1 18 . 1 1 63 63 GLN CA C 64 59.094 59.094 59.172 -0.078 18282 10821 1 18 . 1 1 63 63 GLN CB C 64 28.337 28.337 28.069 0.268 18282 10822 1 18 . 1 1 63 63 GLN H H 64 8.236 8.236 8.317 -0.081 18282 10823 1 18 . 1 1 64 64 ASP N N 65 120.234 120.234 120.226 0.008 18282 10824 1 18 . 1 1 64 64 ASP HA H 65 4.481 4.481 4.326 0.155 18282 10825 1 18 . 1 1 64 64 ASP CA C 65 57.301 57.301 57.063 0.238 18282 10826 1 18 . 1 1 64 64 ASP CB C 65 40.773 40.773 40.441 0.332 18282 10827 1 18 . 1 1 64 64 ASP H H 65 8.257 8.257 8.167 0.090 18282 10828 1 18 . 1 1 65 65 TYR HA H 66 4.598 4.598 4.194 0.404 18282 10829 1 18 . 1 1 65 65 TYR C C 66 178.524 178.524 178.488 0.036 18282 10830 1 18 . 1 1 65 65 TYR CA C 66 60.355 60.355 61.466 -1.111 18282 10831 1 18 . 1 1 65 65 TYR CB C 66 37.796 37.796 38.178 -0.382 18282 10832 1 18 . 1 1 66 66 TYR N N 67 122.741 122.741 121.128 1.613 18282 10833 1 18 . 1 1 66 66 TYR HA H 67 4.044 4.044 4.244 -0.200 18282 10834 1 18 . 1 1 66 66 TYR C C 67 178.220 178.220 178.237 -0.017 18282 10835 1 18 . 1 1 66 66 TYR CA C 67 61.726 61.726 62.092 -0.366 18282 10836 1 18 . 1 1 66 66 TYR CB C 67 38.932 38.932 38.488 0.444 18282 10837 1 18 . 1 1 66 66 TYR H H 67 9.083 9.083 8.868 0.215 18282 10838 1 18 . 1 1 67 67 ASN N N 68 118.530 118.530 117.836 0.694 18282 10839 1 18 . 1 1 67 67 ASN HA H 68 4.378 4.378 4.450 -0.072 18282 10840 1 18 . 1 1 67 67 ASN C C 68 176.633 176.633 177.989 -1.356 18282 10841 1 18 . 1 1 67 67 ASN CA C 68 55.293 55.293 55.958 -0.665 18282 10842 1 18 . 1 1 67 67 ASN CB C 68 37.860 37.860 37.950 -0.090 18282 10843 1 18 . 1 1 67 67 ASN H H 68 8.796 8.796 8.356 0.440 18282 10844 1 18 . 1 1 68 68 THR N N 69 114.328 114.328 113.940 0.388 18282 10845 1 18 . 1 1 68 68 THR HA H 69 3.872 3.872 3.928 -0.056 18282 10846 1 18 . 1 1 68 68 THR C C 69 174.832 174.832 176.145 -1.313 18282 10847 1 18 . 1 1 68 68 THR CA C 69 65.224 65.224 64.927 0.297 18282 10848 1 18 . 1 1 68 68 THR CB C 69 69.484 69.484 68.658 0.826 18282 10849 1 18 . 1 1 68 68 THR H H 69 7.960 7.960 7.641 0.319 18282 10850 1 18 . 1 1 69 69 PHE N N 70 118.107 118.107 120.750 -2.643 18282 10851 1 18 . 1 1 69 69 PHE HA H 70 4.626 4.626 4.256 0.370 18282 10852 1 18 . 1 1 69 69 PHE C C 70 176.495 176.495 176.542 -0.047 18282 10853 1 18 . 1 1 69 69 PHE CA C 70 58.409 58.409 59.256 -0.847 18282 10854 1 18 . 1 1 69 69 PHE CB C 70 40.742 40.742 39.425 1.317 18282 10855 1 18 . 1 1 69 69 PHE H H 70 8.591 8.591 7.660 0.931 18282 10856 1 18 . 1 1 70 70 GLY N N 71 109.309 109.309 106.624 2.685 18282 10857 1 18 . 1 1 70 70 GLY CA C 71 44.684 44.684 44.310 0.374 18282 10858 1 18 . 1 1 70 70 GLY H H 71 7.893 7.893 7.724 0.169 18282 10859 1 18 . 1 1 71 71 PRO HA H 72 4.691 4.691 4.603 0.088 18282 10860 1 18 . 1 1 71 71 PRO C C 72 177.772 177.772 176.324 1.448 18282 10861 1 18 . 1 1 71 71 PRO CA C 72 63.458 63.458 62.270 1.188 18282 10862 1 18 . 1 1 71 71 PRO CB C 72 31.823 31.823 32.240 -0.417 18282 10863 1 18 . 1 1 72 72 GLU N N 73 117.421 117.421 126.064 -8.643 18282 10864 1 18 . 1 1 72 72 GLU HA H 73 4.061 4.061 4.137 -0.076 18282 10865 1 18 . 1 1 72 72 GLU C C 73 177.236 177.236 177.039 0.197 18282 10866 1 18 . 1 1 72 72 GLU CA C 73 58.570 58.570 57.832 0.738 18282 10867 1 18 . 1 1 72 72 GLU CB C 73 28.853 28.853 29.976 -1.123 18282 10868 1 18 . 1 1 72 72 GLU H H 73 8.595 8.595 9.068 -0.473 18282 10869 1 18 . 1 1 73 73 LYS N N 74 116.846 116.846 117.982 -1.136 18282 10870 1 18 . 1 1 73 73 LYS HA H 74 4.381 4.381 4.279 0.102 18282 10871 1 18 . 1 1 73 73 LYS C C 74 175.662 175.662 176.284 -0.622 18282 10872 1 18 . 1 1 73 73 LYS CA C 74 55.263 55.263 56.275 -1.012 18282 10873 1 18 . 1 1 73 73 LYS CB C 74 33.891 33.891 32.027 1.864 18282 10874 1 18 . 1 1 73 73 LYS H H 74 7.493 7.493 8.130 -0.637 18282 10875 1 18 . 1 1 74 74 VAL N N 75 118.056 118.056 121.212 -3.156 18282 10876 1 18 . 1 1 74 74 VAL HA H 75 4.423 4.423 4.090 0.333 18282 10877 1 18 . 1 1 74 74 VAL CA C 75 58.438 58.438 61.989 -3.551 18282 10878 1 18 . 1 1 74 74 VAL CB C 75 33.763 33.763 31.607 2.156 18282 10879 1 18 . 1 1 74 74 VAL H H 75 7.342 7.342 8.186 -0.844 18282 10880 1 18 . 1 1 75 75 PRO HA H 76 4.585 4.585 4.465 0.120 18282 10881 1 18 . 1 1 75 75 PRO C C 76 178.543 178.543 177.548 0.995 18282 10882 1 18 . 1 1 75 75 PRO CA C 76 61.911 61.911 63.198 -1.287 18282 10883 1 18 . 1 1 75 75 PRO CB C 76 32.035 32.035 32.174 -0.139 18282 10884 1 18 . 1 1 76 76 VAL N N 77 119.825 119.825 124.702 -4.877 18282 10885 1 18 . 1 1 76 76 VAL HA H 77 3.921 3.921 4.035 -0.114 18282 10886 1 18 . 1 1 76 76 VAL CA C 77 65.316 65.316 64.433 0.883 18282 10887 1 18 . 1 1 76 76 VAL CB C 77 31.316 31.316 31.154 0.162 18282 10888 1 18 . 1 1 76 76 VAL H H 77 8.604 8.604 8.594 0.010 18282 10889 1 18 . 1 1 77 77 THR N N 78 109.390 109.390 113.064 -3.674 18282 10890 1 18 . 1 1 77 77 THR HA H 78 3.914 3.914 4.103 -0.189 18282 10891 1 18 . 1 1 77 77 THR C C 78 175.732 175.732 176.344 -0.612 18282 10892 1 18 . 1 1 77 77 THR CA C 78 62.803 62.803 65.707 -2.904 18282 10893 1 18 . 1 1 77 77 THR CB C 78 68.357 68.357 67.835 0.521 18282 10894 1 18 . 1 1 77 77 THR H H 78 7.380 7.380 8.400 -1.020 18282 10895 1 18 . 1 1 78 78 ALA N N 79 123.661 123.661 123.866 -0.205 18282 10896 1 18 . 1 1 78 78 ALA HA H 79 4.001 4.001 4.359 -0.358 18282 10897 1 18 . 1 1 78 78 ALA C C 79 179.527 179.527 179.583 -0.056 18282 10898 1 18 . 1 1 78 78 ALA CA C 79 55.091 55.091 54.928 0.162 18282 10899 1 18 . 1 1 78 78 ALA CB C 79 17.561 17.561 18.189 -0.628 18282 10900 1 18 . 1 1 78 78 ALA H H 79 7.811 7.811 7.610 0.201 18282 10901 1 18 . 1 1 79 79 PHE N N 80 114.258 114.258 119.690 -5.432 18282 10902 1 18 . 1 1 79 79 PHE HA H 80 4.452 4.452 4.407 0.045 18282 10903 1 18 . 1 1 79 79 PHE C C 80 178.586 178.586 177.627 0.959 18282 10904 1 18 . 1 1 79 79 PHE CA C 80 61.656 61.656 60.800 0.856 18282 10905 1 18 . 1 1 79 79 PHE CB C 80 37.694 37.694 39.067 -1.373 18282 10906 1 18 . 1 1 79 79 PHE H H 80 7.306 7.306 8.942 -1.636 18282 10907 1 18 . 1 1 80 80 SER N N 81 116.865 116.865 116.520 0.345 18282 10908 1 18 . 1 1 80 80 SER CA C 81 61.824 61.824 61.905 -0.081 18282 10909 1 18 . 1 1 80 80 SER H H 81 7.733 7.733 7.744 -0.011 18282 10910 1 18 . 1 1 81 81 TYR N N 82 121.932 121.932 122.126 -0.194 18282 10911 1 18 . 1 1 81 81 TYR HA H 82 4.133 4.133 4.102 0.031 18282 10912 1 18 . 1 1 81 81 TYR C C 82 177.701 177.701 177.560 0.141 18282 10913 1 18 . 1 1 81 81 TYR CA C 82 60.027 60.027 62.280 -2.253 18282 10914 1 18 . 1 1 81 81 TYR CB C 82 34.104 34.104 38.379 -4.275 18282 10915 1 18 . 1 1 81 81 TYR H H 82 8.151 8.151 7.895 0.256 18282 10916 1 18 . 1 1 82 82 TRP N N 83 120.817 120.817 120.210 0.607 18282 10917 1 18 . 1 1 82 82 TRP HA H 83 4.436 4.436 4.246 0.190 18282 10918 1 18 . 1 1 82 82 TRP CA C 83 63.975 63.975 60.213 3.762 18282 10919 1 18 . 1 1 82 82 TRP CB C 83 28.557 28.557 29.219 -0.662 18282 10920 1 18 . 1 1 82 82 TRP H H 83 8.645 8.645 8.214 0.431 18282 10921 1 18 . 1 1 83 83 ASN HA H 84 4.230 4.230 3.684 0.546 18282 10922 1 18 . 1 1 83 83 ASN C C 84 176.140 176.140 177.430 -1.290 18282 10923 1 18 . 1 1 83 83 ASN CA C 84 56.683 56.683 56.608 0.075 18282 10924 1 18 . 1 1 83 83 ASN CB C 84 39.116 39.116 37.552 1.564 18282 10925 1 18 . 1 1 84 84 LEU N N 85 121.884 121.884 121.616 0.268 18282 10926 1 18 . 1 1 84 84 LEU HA H 85 4.054 4.054 4.024 0.030 18282 10927 1 18 . 1 1 84 84 LEU C C 85 178.369 178.369 178.135 0.234 18282 10928 1 18 . 1 1 84 84 LEU CA C 85 58.228 58.228 57.914 0.314 18282 10929 1 18 . 1 1 84 84 LEU CB C 85 41.576 41.576 41.864 -0.288 18282 10930 1 18 . 1 1 84 84 LEU H H 85 7.751 7.751 8.026 -0.275 18282 10931 1 18 . 1 1 85 85 ILE N N 86 116.825 116.825 119.078 -2.253 18282 10932 1 18 . 1 1 85 85 ILE HA H 86 3.462 3.462 3.561 -0.099 18282 10933 1 18 . 1 1 85 85 ILE C C 86 176.809 176.809 177.927 -1.118 18282 10934 1 18 . 1 1 85 85 ILE CA C 86 61.345 61.345 65.445 -4.100 18282 10935 1 18 . 1 1 85 85 ILE CB C 86 34.099 34.099 37.581 -3.482 18282 10936 1 18 . 1 1 85 85 ILE H H 86 7.952 7.952 8.568 -0.616 18282 10937 1 18 . 1 1 86 86 LYS N N 87 121.846 121.846 120.726 1.120 18282 10938 1 18 . 1 1 86 86 LYS HA H 87 3.231 3.231 3.978 -0.747 18282 10939 1 18 . 1 1 86 86 LYS C C 87 177.221 177.221 178.240 -1.019 18282 10940 1 18 . 1 1 86 86 LYS CA C 87 60.033 60.033 59.791 0.242 18282 10941 1 18 . 1 1 86 86 LYS CB C 87 31.005 31.005 32.138 -1.133 18282 10942 1 18 . 1 1 86 86 LYS H H 87 7.876 7.876 7.985 -0.109 18282 10943 1 18 . 1 1 87 87 GLU N N 88 116.331 116.331 119.073 -2.742 18282 10944 1 18 . 1 1 87 87 GLU HA H 88 3.861 3.861 4.354 -0.493 18282 10945 1 18 . 1 1 87 87 GLU C C 88 178.810 178.810 178.899 -0.089 18282 10946 1 18 . 1 1 87 87 GLU CA C 88 58.949 58.949 58.062 0.887 18282 10947 1 18 . 1 1 87 87 GLU CB C 88 29.221 29.221 28.850 0.371 18282 10948 1 18 . 1 1 87 87 GLU H H 88 7.679 7.679 7.601 0.078 18282 10949 1 18 . 1 1 88 88 LEU N N 89 118.090 118.090 121.547 -3.457 18282 10950 1 18 . 1 1 88 88 LEU HA H 89 3.909 3.909 4.047 -0.138 18282 10951 1 18 . 1 1 88 88 LEU CA C 89 57.688 57.688 58.115 -0.427 18282 10952 1 18 . 1 1 88 88 LEU CB C 89 41.436 41.436 41.975 -0.539 18282 10953 1 18 . 1 1 88 88 LEU H H 89 7.441 7.441 8.130 -0.689 18282 10954 1 18 . 1 1 89 89 ILE HA H 90 3.344 3.344 3.705 -0.361 18282 10955 1 18 . 1 1 89 89 ILE CA C 90 65.082 65.082 64.446 0.636 18282 10956 1 18 . 1 1 89 89 ILE CB C 90 37.556 37.556 37.215 0.341 18282 10957 1 18 . 1 1 90 90 ASP HA H 91 3.894 3.894 4.367 -0.473 18282 10958 1 18 . 1 1 90 90 ASP CA C 91 57.678 57.678 55.955 1.723 18282 10959 1 18 . 1 1 90 90 ASP CB C 91 40.546 40.546 40.522 0.024 18282 10960 1 18 . 1 1 91 91 LYS N N 92 119.422 119.422 119.143 0.279 18282 10961 1 18 . 1 1 91 91 LYS CA C 92 54.600 54.600 57.210 -2.610 18282 10962 1 18 . 1 1 91 91 LYS CB C 92 32.014 32.014 32.976 -0.962 18282 10963 1 18 . 1 1 91 91 LYS H H 92 7.903 7.903 7.528 0.375 18282 10964 1 18 . 1 1 92 92 LYS HA H 93 4.541 4.541 4.105 0.436 18282 10965 1 18 . 1 1 92 92 LYS CA C 93 55.202 55.202 58.620 -3.417 18282 10966 1 18 . 1 1 92 92 LYS CB C 93 31.758 31.758 32.669 -0.911 18282 10967 1 18 . 1 1 93 93 GLU N N 94 115.922 115.922 119.564 -3.642 18282 10968 1 18 . 1 1 93 93 GLU HA H 94 4.283 4.283 4.447 -0.164 18282 10969 1 18 . 1 1 93 93 GLU C C 94 175.613 175.613 176.401 -0.788 18282 10970 1 18 . 1 1 93 93 GLU CA C 94 56.296 56.296 55.096 1.200 18282 10971 1 18 . 1 1 93 93 GLU CB C 94 29.415 29.415 29.044 0.371 18282 10972 1 18 . 1 1 93 93 GLU H H 94 8.140 8.140 8.435 -0.295 18282 10973 1 18 . 1 1 94 94 VAL N N 95 121.304 121.304 119.215 2.089 18282 10974 1 18 . 1 1 94 94 VAL HA H 95 3.773 3.773 3.732 0.041 18282 10975 1 18 . 1 1 94 94 VAL CA C 95 62.257 62.257 64.225 -1.968 18282 10976 1 18 . 1 1 94 94 VAL CB C 95 32.047 32.047 32.125 -0.078 18282 10977 1 18 . 1 1 94 94 VAL H H 95 8.003 8.003 7.649 0.354 18282 10978 1 18 . 1 1 95 95 ASN H H 96 7.518 7.518 7.833 -0.315 18282 10979 1 18 . 1 1 96 96 PRO HA H 97 4.319 4.319 4.213 0.106 18282 10980 1 18 . 1 1 96 96 PRO C C 97 179.088 179.088 177.851 1.237 18282 10981 1 18 . 1 1 96 96 PRO CA C 97 64.963 64.963 65.121 -0.158 18282 10982 1 18 . 1 1 96 96 PRO CB C 97 32.035 32.035 31.935 0.100 18282 10983 1 18 . 1 1 97 97 GLN N N 98 117.793 117.793 117.124 0.669 18282 10984 1 18 . 1 1 97 97 GLN HA H 98 3.952 3.952 4.073 -0.121 18282 10985 1 18 . 1 1 97 97 GLN C C 98 179.272 179.272 177.566 1.706 18282 10986 1 18 . 1 1 97 97 GLN CA C 98 55.691 55.691 58.508 -2.817 18282 10987 1 18 . 1 1 97 97 GLN CB C 98 28.378 28.378 27.198 1.179 18282 10988 1 18 . 1 1 97 97 GLN H H 98 8.351 8.351 8.466 -0.115 18282 10989 1 18 . 1 1 98 98 VAL N N 99 121.247 121.247 120.957 0.290 18282 10990 1 18 . 1 1 98 98 VAL HA H 99 3.440 3.440 3.831 -0.391 18282 10991 1 18 . 1 1 98 98 VAL CA C 99 67.776 67.776 65.731 2.045 18282 10992 1 18 . 1 1 98 98 VAL CB C 99 31.574 31.574 31.380 0.194 18282 10993 1 18 . 1 1 98 98 VAL H H 99 7.901 7.901 7.843 0.058 18282 10994 1 18 . 1 1 100 100 ALA HA H 101 4.218 4.218 4.103 0.115 18282 10995 1 18 . 1 1 100 100 ALA C C 101 179.599 179.599 179.426 0.173 18282 10996 1 18 . 1 1 100 100 ALA CA C 101 54.685 54.685 54.766 -0.081 18282 10997 1 18 . 1 1 100 100 ALA CB C 101 17.562 17.562 17.917 -0.355 18282 10998 1 18 . 1 1 101 101 ALA N N 102 119.533 119.533 121.290 -1.757 18282 10999 1 18 . 1 1 101 101 ALA HA H 102 4.005 4.005 4.085 -0.080 18282 11000 1 18 . 1 1 101 101 ALA C C 102 180.970 180.970 178.993 1.977 18282 11001 1 18 . 1 1 101 101 ALA CA C 102 55.013 55.013 54.450 0.562 18282 11002 1 18 . 1 1 101 101 ALA CB C 102 17.422 17.422 18.512 -1.090 18282 11003 1 18 . 1 1 101 101 ALA H H 102 7.559 7.559 7.822 -0.263 18282 11004 1 18 . 1 1 102 102 VAL N N 103 122.669 122.669 117.906 4.763 18282 11005 1 18 . 1 1 102 102 VAL HA H 103 4.087 4.087 3.785 0.302 18282 11006 1 18 . 1 1 102 102 VAL C C 103 175.666 175.666 176.352 -0.686 18282 11007 1 18 . 1 1 102 102 VAL CA C 103 61.850 61.850 63.677 -1.827 18282 11008 1 18 . 1 1 102 102 VAL CB C 103 32.576 32.576 30.529 2.047 18282 11009 1 18 . 1 1 102 102 VAL H H 103 8.851 8.851 7.712 1.139 18282 11010 1 18 . 1 1 103 103 ALA N N 104 128.048 128.048 121.818 6.230 18282 11011 1 18 . 1 1 103 103 ALA HA H 104 4.288 4.288 4.093 0.195 18282 11012 1 18 . 1 1 103 103 ALA C C 104 177.344 177.344 178.069 -0.725 18282 11013 1 18 . 1 1 103 103 ALA CA C 104 52.194 52.194 54.043 -1.849 18282 11014 1 18 . 1 1 103 103 ALA CB C 104 19.021 19.021 19.044 -0.023 18282 11015 1 18 . 1 1 103 103 ALA H H 104 8.374 8.374 7.655 0.719 18282 11016 1 18 . 1 1 104 104 GLN N N 105 120.285 120.285 119.319 0.966 18282 11017 1 18 . 1 1 104 104 GLN HA H 105 4.281 4.281 4.149 0.132 18282 11018 1 18 . 1 1 104 104 GLN CA C 105 55.656 55.656 56.048 -0.392 18282 11019 1 18 . 1 1 104 104 GLN CB C 105 32.581 32.581 28.198 4.383 18282 11020 1 18 . 1 1 104 104 GLN H H 105 8.374 8.374 7.539 0.835 18282 11021 1 18 . 1 1 105 105 THR HA H 106 4.293 4.293 4.112 0.181 18282 11022 1 18 . 1 1 105 105 THR C C 106 174.384 174.384 174.806 -0.422 18282 11023 1 18 . 1 1 105 105 THR CA C 106 61.663 61.663 63.822 -2.159 18282 11024 1 18 . 1 1 105 105 THR CB C 106 69.458 69.458 69.359 0.099 18282 11025 1 18 . 1 1 106 106 GLU N N 107 122.744 122.744 120.306 2.438 18282 11026 1 18 . 1 1 106 106 GLU HA H 107 4.241 4.241 4.560 -0.319 18282 11027 1 18 . 1 1 106 106 GLU C C 107 176.331 176.331 174.494 1.837 18282 11028 1 18 . 1 1 106 106 GLU CA C 107 56.621 56.621 54.809 1.812 18282 11029 1 18 . 1 1 106 106 GLU CB C 107 30.004 30.004 32.133 -2.129 18282 11030 1 18 . 1 1 106 106 GLU H H 107 8.415 8.415 7.723 0.692 18282 11031 1 18 . 1 1 107 107 GLU N N 108 121.993 121.993 119.984 2.009 18282 11032 1 18 . 1 1 107 107 GLU HA H 108 4.184 4.184 4.571 -0.387 18282 11033 1 18 . 1 1 107 107 GLU C C 108 176.404 176.404 177.756 -1.352 18282 11034 1 18 . 1 1 107 107 GLU CA C 108 56.721 56.721 55.275 1.446 18282 11035 1 18 . 1 1 107 107 GLU CB C 108 29.770 29.770 30.639 -0.869 18282 11036 1 18 . 1 1 107 107 GLU H H 108 8.334 8.334 8.692 -0.358 18282 11037 1 18 . 1 1 108 108 ILE N N 109 122.204 122.204 122.654 -0.450 18282 11038 1 18 . 1 1 108 108 ILE HA H 109 4.052 4.052 3.699 0.353 18282 11039 1 18 . 1 1 108 108 ILE C C 109 176.261 176.261 176.503 -0.242 18282 11040 1 18 . 1 1 108 108 ILE CA C 109 61.245 61.245 63.477 -2.232 18282 11041 1 18 . 1 1 108 108 ILE CB C 109 38.157 38.157 37.684 0.473 18282 11042 1 18 . 1 1 108 108 ILE H H 109 8.068 8.068 8.903 -0.835 18282 11043 1 18 . 1 1 109 109 LEU N N 110 125.608 125.608 120.920 4.688 18282 11044 1 18 . 1 1 109 109 LEU HA H 110 4.295 4.295 4.019 0.276 18282 11045 1 18 . 1 1 109 109 LEU C C 110 177.275 177.275 179.058 -1.783 18282 11046 1 18 . 1 1 109 109 LEU CA C 110 55.103 55.103 57.284 -2.181 18282 11047 1 18 . 1 1 109 109 LEU CB C 110 41.929 41.929 41.451 0.478 18282 11048 1 18 . 1 1 109 109 LEU H H 110 8.187 8.187 7.598 0.589 18282 11049 1 18 . 1 1 110 110 LYS N N 111 122.154 122.154 118.571 3.583 18282 11050 1 18 . 1 1 110 110 LYS HA H 111 4.278 4.278 4.217 0.061 18282 11051 1 18 . 1 1 110 110 LYS C C 111 176.606 176.606 177.182 -0.576 18282 11052 1 18 . 1 1 110 110 LYS CA C 111 56.125 56.125 58.304 -2.179 18282 11053 1 18 . 1 1 110 110 LYS CB C 111 32.423 32.423 32.255 0.168 18282 11054 1 18 . 1 1 110 110 LYS H H 111 8.206 8.206 8.040 0.166 18282 11055 1 18 . 1 1 111 111 SER N N 112 116.381 116.381 113.219 3.162 18282 11056 1 18 . 1 1 111 111 SER HA H 112 4.395 4.395 4.225 0.170 18282 11057 1 18 . 1 1 111 111 SER C C 112 175.168 175.168 176.047 -0.879 18282 11058 1 18 . 1 1 111 111 SER CA C 112 58.456 58.456 60.902 -2.446 18282 11059 1 18 . 1 1 111 111 SER CB C 112 63.495 63.495 63.215 0.280 18282 11060 1 18 . 1 1 111 111 SER H H 112 8.217 8.217 7.524 0.693 18282 11061 1 18 . 1 1 112 112 ASN N N 113 119.799 119.799 118.347 1.452 18282 11062 1 18 . 1 1 112 112 ASN HA H 113 4.699 4.699 4.581 0.118 18282 11063 1 18 . 1 1 112 112 ASN C C 113 175.552 175.552 175.487 0.065 18282 11064 1 18 . 1 1 112 112 ASN CA C 113 53.592 53.592 54.885 -1.293 18282 11065 1 18 . 1 1 112 112 ASN CB C 113 38.772 38.772 39.197 -0.425 18282 11066 1 18 . 1 1 112 112 ASN H H 113 7.950 7.950 7.837 0.113 18282 11067 1 18 . 1 1 113 113 SER N N 114 115.430 115.430 111.561 3.869 18282 11068 1 18 . 1 1 113 113 SER HA H 114 4.382 4.382 4.780 -0.398 18282 11069 1 18 . 1 1 113 113 SER C C 114 174.558 174.558 173.524 1.034 18282 11070 1 18 . 1 1 113 113 SER CA C 114 58.919 58.919 57.303 1.616 18282 11071 1 18 . 1 1 113 113 SER CB C 114 63.494 63.494 65.161 -1.667 18282 11072 1 18 . 1 1 113 113 SER H H 114 7.970 7.970 7.455 0.515 18282 11073 1 18 . 1 1 114 114 GLN N N 115 121.973 121.973 118.802 3.171 18282 11074 1 18 . 1 1 114 114 GLN HA H 115 4.347 4.347 4.029 0.318 18282 11075 1 18 . 1 1 114 114 GLN C C 115 176.246 176.246 175.640 0.606 18282 11076 1 18 . 1 1 114 114 GLN CA C 115 56.036 56.036 58.857 -2.821 18282 11077 1 18 . 1 1 114 114 GLN CB C 115 29.196 29.196 28.951 0.245 18282 11078 1 18 . 1 1 114 114 GLN H H 115 8.382 8.382 8.731 -0.349 18282 11079 1 18 . 1 1 115 115 THR N N 116 114.701 114.701 105.698 9.003 18282 11080 1 18 . 1 1 115 115 THR HA H 116 4.238 4.238 4.423 -0.185 18282 11081 1 18 . 1 1 115 115 THR C C 116 174.276 174.276 173.184 1.092 18282 11082 1 18 . 1 1 115 115 THR CA C 116 62.221 62.221 60.433 1.788 18282 11083 1 18 . 1 1 115 115 THR CB C 116 69.405 69.405 70.365 -0.960 18282 11084 1 18 . 1 1 115 115 THR H H 116 8.070 8.070 7.072 0.998 18282 11085 1 18 . 1 1 116 116 ASP N N 117 122.566 122.566 120.834 1.732 18282 11086 1 18 . 1 1 116 116 ASP HA H 117 4.575 4.575 4.475 0.100 18282 11087 1 18 . 1 1 116 116 ASP C C 117 176.241 176.241 176.080 0.161 18282 11088 1 18 . 1 1 116 116 ASP CA C 117 54.286 54.286 56.277 -1.991 18282 11089 1 18 . 1 1 116 116 ASP CB C 117 40.609 40.609 41.073 -0.464 18282 11090 1 18 . 1 1 116 116 ASP H H 117 8.288 8.288 8.413 -0.125 18282 11091 1 18 . 1 1 117 117 LEU N N 118 122.118 122.118 121.141 0.977 18282 11092 1 18 . 1 1 117 117 LEU HA H 118 4.163 4.163 4.519 -0.356 18282 11093 1 18 . 1 1 117 117 LEU C C 118 177.637 177.637 175.637 2.000 18282 11094 1 18 . 1 1 117 117 LEU CA C 118 55.475 55.475 53.449 2.026 18282 11095 1 18 . 1 1 117 117 LEU CB C 118 41.964 41.964 43.062 -1.098 18282 11096 1 18 . 1 1 117 117 LEU H H 118 8.088 8.088 7.304 0.784 18282 11097 1 18 . 1 1 118 118 GLU N N 119 119.527 119.527 123.440 -3.913 18282 11098 1 18 . 1 1 118 118 GLU HA H 119 4.086 4.086 4.138 -0.052 18282 11099 1 18 . 1 1 118 118 GLU C C 119 176.265 176.265 176.891 -0.626 18282 11100 1 18 . 1 1 118 118 GLU CA C 119 56.569 56.569 57.044 -0.475 18282 11101 1 18 . 1 1 118 118 GLU CB C 119 29.486 29.486 29.910 -0.424 18282 11102 1 18 . 1 1 118 118 GLU H H 119 8.134 8.134 8.654 -0.520 18282 11103 1 18 . 1 1 119 119 HIS N N 120 118.076 118.076 122.259 -4.183 18282 11104 1 18 . 1 1 119 119 HIS HA H 120 4.485 4.485 4.351 0.134 18282 11105 1 18 . 1 1 119 119 HIS CA C 120 55.422 55.422 58.907 -3.485 18282 11106 1 18 . 1 1 119 119 HIS CB C 120 28.628 28.628 30.416 -1.788 18282 11107 1 18 . 1 1 119 119 HIS H H 120 8.134 8.134 8.674 -0.540 18282 11108 1 18 . 1 1 120 120 HIS N N 121 119.323 119.323 118.057 1.266 18282 11109 1 18 . 1 1 120 120 HIS HA H 121 4.242 4.242 4.694 -0.452 18282 11110 1 18 . 1 1 120 120 HIS CA C 121 56.732 56.732 55.518 1.214 18282 11111 1 18 . 1 1 120 120 HIS H H 121 8.372 8.372 8.068 0.304 18282 11112 1 18 . 1 1 121 121 HIS N N 122 126.032 126.032 125.430 0.602 18282 11113 1 18 . 1 1 121 121 HIS CA C 122 57.036 57.036 55.594 1.442 18282 11114 1 18 . 1 1 121 121 HIS CB C 122 29.923 29.923 30.144 -0.221 18282 11115 1 18 . 1 1 121 121 HIS H H 122 7.900 7.900 8.218 -0.318 18282 11116 1 18 . 1 1 122 122 HIS N N 123 121.012 121.012 123.863 -2.851 18282 11117 1 18 . 1 1 122 122 HIS HA H 123 4.595 4.595 4.252 0.343 18282 11118 1 18 . 1 1 122 122 HIS CA C 123 55.372 55.372 58.531 -3.159 18282 11119 1 18 . 1 1 122 122 HIS CB C 123 29.165 29.165 30.294 -1.129 18282 11120 1 18 . 1 1 122 122 HIS H H 123 8.595 8.595 8.631 -0.036 18282 11121 1 18 . 1 1 123 123 HIS N N 124 120.343 120.343 116.688 3.655 18282 11122 1 18 . 1 1 123 123 HIS CA C 124 57.380 57.380 55.096 2.284 18282 11123 1 18 . 1 1 123 123 HIS CB C 124 35.491 35.491 30.727 4.764 18282 11124 1 18 . 1 1 123 123 HIS H H 124 8.558 8.558 8.091 0.467 18282 11125 1 19 . 1 1 2 2 GLN N N 3 122.228 122.228 119.866 2.362 18282 11126 1 19 . 1 1 2 2 GLN HA H 3 3.896 3.896 3.920 -0.024 18282 11127 1 19 . 1 1 2 2 GLN C C 3 178.672 178.672 178.052 0.620 18282 11128 1 19 . 1 1 2 2 GLN CA C 3 58.794 58.794 58.829 -0.035 18282 11129 1 19 . 1 1 2 2 GLN H H 3 9.310 9.310 8.626 0.684 18282 11130 1 19 . 1 1 3 3 GLU N N 4 119.529 119.529 119.901 -0.372 18282 11131 1 19 . 1 1 3 3 GLU C C 4 175.504 175.504 178.966 -3.462 18282 11132 1 19 . 1 1 3 3 GLU CA C 4 59.561 59.561 58.751 0.810 18282 11133 1 19 . 1 1 3 3 GLU CB C 4 28.876 28.876 28.888 -0.012 18282 11134 1 19 . 1 1 3 3 GLU H H 4 8.489 8.489 8.579 -0.090 18282 11135 1 19 . 1 1 4 4 LEU N N 5 114.832 114.832 121.791 -6.959 18282 11136 1 19 . 1 1 4 4 LEU HA H 5 3.716 3.716 3.959 -0.243 18282 11137 1 19 . 1 1 4 4 LEU C C 5 178.276 178.276 177.764 0.512 18282 11138 1 19 . 1 1 4 4 LEU CA C 5 57.813 57.813 58.151 -0.338 18282 11139 1 19 . 1 1 4 4 LEU CB C 5 40.844 40.844 41.838 -0.994 18282 11140 1 19 . 1 1 4 4 LEU H H 5 8.210 8.210 8.565 -0.355 18282 11141 1 19 . 1 1 5 5 SER N N 6 109.726 109.726 113.600 -3.874 18282 11142 1 19 . 1 1 5 5 SER HA H 6 4.127 4.127 4.018 0.109 18282 11143 1 19 . 1 1 5 5 SER C C 6 178.508 178.508 177.085 1.423 18282 11144 1 19 . 1 1 5 5 SER CA C 6 60.401 60.401 61.178 -0.777 18282 11145 1 19 . 1 1 5 5 SER CB C 6 63.535 63.535 62.727 0.808 18282 11146 1 19 . 1 1 5 5 SER H H 6 8.247 8.247 7.975 0.272 18282 11147 1 19 . 1 1 6 6 GLN N N 7 117.203 117.203 120.173 -2.970 18282 11148 1 19 . 1 1 6 6 GLN HA H 7 4.026 4.026 4.055 -0.029 18282 11149 1 19 . 1 1 6 6 GLN CA C 7 58.474 58.474 58.622 -0.148 18282 11150 1 19 . 1 1 6 6 GLN H H 7 8.719 8.719 8.743 -0.024 18282 11151 1 19 . 1 1 7 7 HIS C C 8 178.622 178.622 177.605 1.017 18282 11152 1 19 . 1 1 8 8 GLU N N 9 120.357 120.357 118.682 1.675 18282 11153 1 19 . 1 1 8 8 GLU HA H 9 3.969 3.969 4.158 -0.189 18282 11154 1 19 . 1 1 8 8 GLU C C 9 178.408 178.408 179.186 -0.778 18282 11155 1 19 . 1 1 8 8 GLU CA C 9 58.244 58.244 59.687 -1.443 18282 11156 1 19 . 1 1 8 8 GLU CB C 9 29.013 29.013 29.485 -0.472 18282 11157 1 19 . 1 1 8 8 GLU H H 9 7.701 7.701 7.957 -0.256 18282 11158 1 19 . 1 1 9 9 ARG N N 10 118.791 118.791 119.183 -0.392 18282 11159 1 19 . 1 1 9 9 ARG HA H 10 4.124 4.124 4.011 0.113 18282 11160 1 19 . 1 1 9 9 ARG C C 10 178.599 178.599 178.574 0.025 18282 11161 1 19 . 1 1 9 9 ARG CA C 10 58.633 58.633 59.316 -0.682 18282 11162 1 19 . 1 1 9 9 ARG CB C 10 29.005 29.005 30.269 -1.264 18282 11163 1 19 . 1 1 9 9 ARG H H 10 8.910 8.910 7.585 1.325 18282 11164 1 19 . 1 1 10 10 TYR N N 11 121.239 121.239 121.360 -0.121 18282 11165 1 19 . 1 1 10 10 TYR HA H 11 4.186 4.186 4.058 0.128 18282 11166 1 19 . 1 1 10 10 TYR C C 11 176.644 176.644 177.588 -0.944 18282 11167 1 19 . 1 1 10 10 TYR CA C 11 61.311 61.311 60.957 0.354 18282 11168 1 19 . 1 1 10 10 TYR CB C 11 37.956 37.956 37.753 0.203 18282 11169 1 19 . 1 1 10 10 TYR H H 11 7.562 7.562 8.512 -0.950 18282 11170 1 19 . 1 1 11 11 VAL N N 12 119.249 119.249 118.421 0.828 18282 11171 1 19 . 1 1 11 11 VAL HA H 12 3.119 3.119 2.660 0.459 18282 11172 1 19 . 1 1 11 11 VAL C C 12 177.275 177.275 178.158 -0.883 18282 11173 1 19 . 1 1 11 11 VAL CA C 12 66.925 66.925 66.184 0.741 18282 11174 1 19 . 1 1 11 11 VAL CB C 12 30.981 30.981 31.044 -0.063 18282 11175 1 19 . 1 1 11 11 VAL H H 12 8.087 8.087 7.225 0.862 18282 11176 1 19 . 1 1 12 12 GLU N N 13 119.569 119.569 118.536 1.033 18282 11177 1 19 . 1 1 12 12 GLU HA H 13 4.213 4.213 3.836 0.377 18282 11178 1 19 . 1 1 12 12 GLU C C 13 175.207 175.207 178.722 -3.515 18282 11179 1 19 . 1 1 12 12 GLU CA C 13 55.971 55.971 59.259 -3.288 18282 11180 1 19 . 1 1 12 12 GLU CB C 13 28.439 28.439 29.480 -1.041 18282 11181 1 19 . 1 1 12 12 GLU H H 13 8.312 8.312 7.419 0.893 18282 11182 1 19 . 1 1 13 13 GLN N N 14 119.375 119.375 120.269 -0.894 18282 11183 1 19 . 1 1 13 13 GLN HA H 14 3.657 3.657 4.111 -0.454 18282 11184 1 19 . 1 1 13 13 GLN CA C 14 54.294 54.294 58.699 -4.404 18282 11185 1 19 . 1 1 13 13 GLN CB C 14 29.681 29.681 28.174 1.507 18282 11186 1 19 . 1 1 13 13 GLN H H 14 7.690 7.690 8.712 -1.022 18282 11187 1 19 . 1 1 14 14 LEU HA H 15 3.865 3.865 3.989 -0.124 18282 11188 1 19 . 1 1 14 14 LEU CA C 15 58.177 58.177 57.557 0.620 18282 11189 1 19 . 1 1 14 14 LEU CB C 15 40.693 40.693 41.281 -0.588 18282 11190 1 19 . 1 1 15 15 LYS HA H 16 3.737 3.737 3.916 -0.179 18282 11191 1 19 . 1 1 15 15 LYS C C 16 177.817 177.817 179.627 -1.810 18282 11192 1 19 . 1 1 15 15 LYS CA C 16 60.352 60.352 59.444 0.908 18282 11193 1 19 . 1 1 15 15 LYS CB C 16 32.106 32.106 32.040 0.066 18282 11194 1 19 . 1 1 16 16 GLN N N 17 117.498 117.498 118.530 -1.032 18282 11195 1 19 . 1 1 16 16 GLN HA H 17 3.864 3.864 4.051 -0.187 18282 11196 1 19 . 1 1 16 16 GLN CA C 17 58.307 58.307 58.364 -0.057 18282 11197 1 19 . 1 1 16 16 GLN CB C 17 27.788 27.788 28.666 -0.878 18282 11198 1 19 . 1 1 16 16 GLN H H 17 7.862 7.862 8.137 -0.275 18282 11199 1 19 . 1 1 17 17 ALA HA H 18 3.793 3.793 4.034 -0.241 18282 11200 1 19 . 1 1 17 17 ALA C C 18 179.147 179.147 179.515 -0.368 18282 11201 1 19 . 1 1 17 17 ALA CA C 18 54.792 54.792 54.827 -0.035 18282 11202 1 19 . 1 1 17 17 ALA CB C 18 17.693 17.693 18.273 -0.580 18282 11203 1 19 . 1 1 18 18 LEU N N 19 117.278 117.278 117.775 -0.497 18282 11204 1 19 . 1 1 18 18 LEU HA H 19 3.784 3.784 3.919 -0.135 18282 11205 1 19 . 1 1 18 18 LEU C C 19 174.935 174.935 178.385 -3.450 18282 11206 1 19 . 1 1 18 18 LEU CA C 19 57.731 57.731 56.775 0.956 18282 11207 1 19 . 1 1 18 18 LEU CB C 19 40.703 40.703 41.643 -0.940 18282 11208 1 19 . 1 1 18 18 LEU H H 19 8.168 8.168 7.533 0.635 18282 11209 1 19 . 1 1 19 19 LYS N N 20 118.025 118.025 120.348 -2.323 18282 11210 1 19 . 1 1 19 19 LYS C C 20 177.982 177.982 179.264 -1.282 18282 11211 1 19 . 1 1 19 19 LYS CA C 20 60.439 60.439 59.272 1.167 18282 11212 1 19 . 1 1 19 19 LYS H H 20 8.345 8.345 7.503 0.842 18282 11213 1 19 . 1 1 20 20 THR N N 21 116.345 116.345 112.128 4.217 18282 11214 1 19 . 1 1 20 20 THR HA H 21 4.126 4.126 4.125 0.001 18282 11215 1 19 . 1 1 20 20 THR C C 21 175.469 175.469 175.792 -0.323 18282 11216 1 19 . 1 1 20 20 THR CA C 21 64.643 64.643 64.794 -0.151 18282 11217 1 19 . 1 1 20 20 THR CB C 21 68.652 68.652 68.650 0.002 18282 11218 1 19 . 1 1 20 20 THR H H 21 7.896 7.896 7.639 0.257 18282 11219 1 19 . 1 1 21 21 ARG N N 22 118.792 118.792 120.297 -1.505 18282 11220 1 19 . 1 1 21 21 ARG HA H 22 4.375 4.375 4.217 0.158 18282 11221 1 19 . 1 1 21 21 ARG C C 22 176.364 176.364 176.703 -0.339 18282 11222 1 19 . 1 1 21 21 ARG CA C 22 54.157 54.157 55.291 -1.134 18282 11223 1 19 . 1 1 21 21 ARG CB C 22 29.453 29.453 28.729 0.724 18282 11224 1 19 . 1 1 21 21 ARG H H 22 7.317 7.317 7.835 -0.518 18282 11225 1 19 . 1 1 22 22 GLY N N 23 108.428 108.428 106.292 2.136 18282 11226 1 19 . 1 1 22 22 GLY C C 23 174.154 174.154 173.978 0.176 18282 11227 1 19 . 1 1 22 22 GLY CA C 23 45.953 45.953 45.367 0.586 18282 11228 1 19 . 1 1 22 22 GLY H H 23 7.881 7.881 7.795 0.086 18282 11229 1 19 . 1 1 23 23 VAL N N 24 117.319 117.319 118.356 -1.037 18282 11230 1 19 . 1 1 23 23 VAL HA H 24 4.036 4.036 4.213 -0.177 18282 11231 1 19 . 1 1 23 23 VAL C C 24 175.601 175.601 174.927 0.674 18282 11232 1 19 . 1 1 23 23 VAL CA C 24 61.635 61.635 60.175 1.460 18282 11233 1 19 . 1 1 23 23 VAL CB C 24 32.589 32.589 33.953 -1.364 18282 11234 1 19 . 1 1 23 23 VAL H H 24 7.431 7.431 7.225 0.206 18282 11235 1 19 . 1 1 24 24 LYS N N 25 127.424 127.424 121.941 5.483 18282 11236 1 19 . 1 1 24 24 LYS HA H 25 4.336 4.336 4.679 -0.343 18282 11237 1 19 . 1 1 24 24 LYS C C 25 175.550 175.550 174.851 0.699 18282 11238 1 19 . 1 1 24 24 LYS CA C 25 55.811 55.811 55.465 0.346 18282 11239 1 19 . 1 1 24 24 LYS CB C 25 32.269 32.269 34.142 -1.873 18282 11240 1 19 . 1 1 24 24 LYS H H 25 8.665 8.665 8.304 0.361 18282 11241 1 19 . 1 1 25 25 VAL N N 26 120.764 120.764 117.062 3.702 18282 11242 1 19 . 1 1 25 25 VAL HA H 26 4.140 4.140 4.509 -0.369 18282 11243 1 19 . 1 1 25 25 VAL C C 26 174.206 174.206 175.161 -0.955 18282 11244 1 19 . 1 1 25 25 VAL CA C 26 60.316 60.316 61.049 -0.733 18282 11245 1 19 . 1 1 25 25 VAL CB C 26 33.920 33.920 33.555 0.365 18282 11246 1 19 . 1 1 25 25 VAL H H 26 7.545 7.545 8.243 -0.698 18282 11247 1 19 . 1 1 26 26 LYS N N 27 125.707 125.707 125.842 -0.135 18282 11248 1 19 . 1 1 26 26 LYS HA H 27 4.115 4.115 4.406 -0.291 18282 11249 1 19 . 1 1 26 26 LYS CA C 27 55.211 55.211 54.199 1.012 18282 11250 1 19 . 1 1 26 26 LYS CB C 27 31.930 31.930 35.847 -3.917 18282 11251 1 19 . 1 1 26 26 LYS H H 27 8.608 8.608 8.001 0.607 18282 11252 1 19 . 1 1 27 27 TYR CA C 28 56.418 56.418 61.586 -5.168 18282 11253 1 19 . 1 1 27 27 TYR CB C 28 37.036 37.036 37.346 -0.310 18282 11254 1 19 . 1 1 28 28 ALA N N 29 120.712 120.712 121.284 -0.572 18282 11255 1 19 . 1 1 28 28 ALA HA H 29 3.712 3.712 4.031 -0.319 18282 11256 1 19 . 1 1 28 28 ALA C C 29 180.210 180.210 179.601 0.609 18282 11257 1 19 . 1 1 28 28 ALA CA C 29 54.911 54.911 54.637 0.274 18282 11258 1 19 . 1 1 28 28 ALA CB C 29 18.034 18.034 17.516 0.518 18282 11259 1 19 . 1 1 28 28 ALA H H 29 8.326 8.326 8.421 -0.095 18282 11260 1 19 . 1 1 29 29 ASP N N 30 117.166 117.166 119.607 -2.441 18282 11261 1 19 . 1 1 29 29 ASP HA H 30 4.379 4.379 4.338 0.041 18282 11262 1 19 . 1 1 29 29 ASP C C 30 178.427 178.427 178.518 -0.091 18282 11263 1 19 . 1 1 29 29 ASP CA C 30 56.459 56.459 57.409 -0.950 18282 11264 1 19 . 1 1 29 29 ASP CB C 30 39.962 39.962 40.152 -0.190 18282 11265 1 19 . 1 1 29 29 ASP H H 30 6.913 6.913 8.556 -1.643 18282 11266 1 19 . 1 1 30 30 LEU N N 31 123.105 123.105 120.021 3.084 18282 11267 1 19 . 1 1 30 30 LEU HA H 31 3.491 3.491 4.224 -0.733 18282 11268 1 19 . 1 1 30 30 LEU CA C 31 56.841 56.841 58.109 -1.268 18282 11269 1 19 . 1 1 30 30 LEU CB C 31 40.888 40.888 42.040 -1.152 18282 11270 1 19 . 1 1 30 30 LEU H H 31 7.543 7.543 7.582 -0.039 18282 11271 1 19 . 1 1 31 31 LEU HA H 32 3.611 3.611 3.941 -0.330 18282 11272 1 19 . 1 1 31 31 LEU C C 32 179.120 179.120 179.350 -0.230 18282 11273 1 19 . 1 1 31 31 LEU CA C 32 58.103 58.103 58.149 -0.046 18282 11274 1 19 . 1 1 31 31 LEU CB C 32 40.594 40.594 41.145 -0.551 18282 11275 1 19 . 1 1 32 32 LYS N N 33 118.074 118.074 118.853 -0.779 18282 11276 1 19 . 1 1 32 32 LYS HA H 33 4.202 4.202 4.147 0.055 18282 11277 1 19 . 1 1 32 32 LYS C C 33 180.044 180.044 178.692 1.352 18282 11278 1 19 . 1 1 32 32 LYS CA C 33 59.081 59.081 59.053 0.028 18282 11279 1 19 . 1 1 32 32 LYS CB C 33 31.735 31.735 32.648 -0.912 18282 11280 1 19 . 1 1 32 32 LYS H H 33 7.189 7.189 7.956 -0.767 18282 11281 1 19 . 1 1 33 33 PHE N N 34 122.977 122.977 120.724 2.253 18282 11282 1 19 . 1 1 33 33 PHE CA C 34 60.402 60.402 61.897 -1.495 18282 11283 1 19 . 1 1 33 33 PHE H H 34 7.768 7.768 8.752 -0.984 18282 11284 1 19 . 1 1 34 34 PHE HA H 35 3.800 3.800 4.128 -0.329 18282 11285 1 19 . 1 1 34 34 PHE C C 35 176.355 176.355 177.159 -0.804 18282 11286 1 19 . 1 1 34 34 PHE CA C 35 61.813 61.813 62.139 -0.326 18282 11287 1 19 . 1 1 34 34 PHE CB C 35 37.164 37.164 39.137 -1.973 18282 11288 1 19 . 1 1 35 35 ASP N N 36 119.969 119.969 119.898 0.071 18282 11289 1 19 . 1 1 35 35 ASP C C 36 177.087 177.087 178.883 -1.796 18282 11290 1 19 . 1 1 35 35 ASP CA C 36 58.278 58.278 57.399 0.879 18282 11291 1 19 . 1 1 35 35 ASP CB C 36 39.578 39.578 40.303 -0.725 18282 11292 1 19 . 1 1 35 35 ASP H H 36 8.338 8.338 7.959 0.379 18282 11293 1 19 . 1 1 36 36 PHE N N 37 122.901 122.901 119.251 3.650 18282 11294 1 19 . 1 1 36 36 PHE C C 37 178.788 178.788 177.824 0.964 18282 11295 1 19 . 1 1 36 36 PHE CA C 37 61.416 61.416 60.636 0.780 18282 11296 1 19 . 1 1 36 36 PHE CB C 37 38.369 38.369 38.828 -0.459 18282 11297 1 19 . 1 1 36 36 PHE H H 37 7.860 7.860 8.230 -0.370 18282 11298 1 19 . 1 1 37 37 VAL N N 38 122.329 122.329 114.156 8.173 18282 11299 1 19 . 1 1 37 37 VAL HA H 38 3.100 3.100 3.651 -0.551 18282 11300 1 19 . 1 1 37 37 VAL C C 38 176.147 176.147 177.605 -1.458 18282 11301 1 19 . 1 1 37 37 VAL CA C 38 67.153 67.153 65.200 1.953 18282 11302 1 19 . 1 1 37 37 VAL CB C 38 30.625 30.625 31.631 -1.006 18282 11303 1 19 . 1 1 37 37 VAL H H 38 8.451 8.451 7.540 0.911 18282 11304 1 19 . 1 1 38 38 LYS N N 39 118.837 118.837 119.604 -0.767 18282 11305 1 19 . 1 1 38 38 LYS HA H 39 3.473 3.473 3.875 -0.402 18282 11306 1 19 . 1 1 38 38 LYS C C 39 176.361 176.361 177.861 -1.500 18282 11307 1 19 . 1 1 38 38 LYS CA C 39 59.519 59.519 59.085 0.434 18282 11308 1 19 . 1 1 38 38 LYS CB C 39 31.628 31.628 32.070 -0.442 18282 11309 1 19 . 1 1 38 38 LYS H H 39 7.581 7.581 7.966 -0.385 18282 11310 1 19 . 1 1 39 39 ASP N N 40 116.210 116.210 118.680 -2.470 18282 11311 1 19 . 1 1 39 39 ASP HA H 40 4.261 4.261 4.404 -0.143 18282 11312 1 19 . 1 1 39 39 ASP CA C 40 56.580 56.580 56.645 -0.065 18282 11313 1 19 . 1 1 39 39 ASP CB C 40 40.977 40.977 40.718 0.259 18282 11314 1 19 . 1 1 39 39 ASP H H 40 8.052 8.052 7.790 0.262 18282 11315 1 19 . 1 1 40 40 THR N N 41 109.215 109.215 108.250 0.965 18282 11316 1 19 . 1 1 40 40 THR C C 41 174.559 174.559 174.494 0.065 18282 11317 1 19 . 1 1 40 40 THR H H 41 7.232 7.232 7.780 -0.548 18282 11318 1 19 . 1 1 41 41 CYS N N 42 117.927 117.927 120.669 -2.742 18282 11319 1 19 . 1 1 41 41 CYS CA C 42 55.865 55.865 58.509 -2.644 18282 11320 1 19 . 1 1 41 41 CYS CB C 42 28.500 28.500 25.288 3.212 18282 11321 1 19 . 1 1 41 41 CYS H H 42 7.197 7.197 8.623 -1.426 18282 11322 1 19 . 1 1 42 42 PRO HA H 43 3.987 3.987 4.359 -0.372 18282 11323 1 19 . 1 1 42 42 PRO C C 43 176.688 176.688 177.328 -0.640 18282 11324 1 19 . 1 1 42 42 PRO CA C 43 65.206 65.206 64.616 0.590 18282 11325 1 19 . 1 1 42 42 PRO CB C 43 30.767 30.767 31.955 -1.188 18282 11326 1 19 . 1 1 43 43 TRP N N 44 113.805 113.805 118.184 -4.379 18282 11327 1 19 . 1 1 43 43 TRP HA H 44 4.361 4.361 4.739 -0.378 18282 11328 1 19 . 1 1 43 43 TRP C C 44 176.982 176.982 175.587 1.395 18282 11329 1 19 . 1 1 43 43 TRP CA C 44 61.758 61.758 57.617 4.141 18282 11330 1 19 . 1 1 43 43 TRP CB C 44 27.771 27.771 28.663 -0.892 18282 11331 1 19 . 1 1 43 43 TRP H H 44 6.632 6.632 7.984 -1.352 18282 11332 1 19 . 1 1 44 44 PHE N N 45 123.019 123.019 116.163 6.856 18282 11333 1 19 . 1 1 44 44 PHE HA H 45 4.043 4.043 4.174 -0.131 18282 11334 1 19 . 1 1 44 44 PHE CA C 45 62.990 62.990 58.566 4.424 18282 11335 1 19 . 1 1 44 44 PHE CB C 45 35.109 35.109 36.637 -1.528 18282 11336 1 19 . 1 1 44 44 PHE H H 45 7.302 7.302 7.431 -0.129 18282 11337 1 19 . 1 1 45 45 PRO HA H 46 4.015 4.015 4.489 -0.473 18282 11338 1 19 . 1 1 45 45 PRO C C 46 176.462 176.462 177.379 -0.917 18282 11339 1 19 . 1 1 45 45 PRO CA C 46 64.582 64.582 64.981 -0.399 18282 11340 1 19 . 1 1 45 45 PRO CB C 46 30.254 30.254 31.751 -1.497 18282 11341 1 19 . 1 1 46 46 GLN N N 47 114.404 114.404 116.120 -1.716 18282 11342 1 19 . 1 1 46 46 GLN HA H 47 3.941 3.941 4.134 -0.193 18282 11343 1 19 . 1 1 46 46 GLN C C 47 177.234 177.234 177.027 0.207 18282 11344 1 19 . 1 1 46 46 GLN CA C 47 58.328 58.328 58.295 0.033 18282 11345 1 19 . 1 1 46 46 GLN CB C 47 28.471 28.471 28.576 -0.105 18282 11346 1 19 . 1 1 46 46 GLN H H 47 6.544 6.544 8.590 -2.046 18282 11347 1 19 . 1 1 47 47 GLU N N 48 117.356 117.356 117.570 -0.214 18282 11348 1 19 . 1 1 47 47 GLU HA H 48 4.085 4.085 4.268 -0.183 18282 11349 1 19 . 1 1 47 47 GLU C C 48 179.130 179.130 176.826 2.304 18282 11350 1 19 . 1 1 47 47 GLU CA C 48 58.215 58.215 56.218 1.997 18282 11351 1 19 . 1 1 47 47 GLU CB C 48 29.247 29.247 30.591 -1.344 18282 11352 1 19 . 1 1 47 47 GLU H H 48 7.710 7.710 7.909 -0.199 18282 11353 1 19 . 1 1 48 48 GLY N N 49 105.456 105.456 108.335 -2.879 18282 11354 1 19 . 1 1 48 48 GLY C C 49 171.006 171.006 173.547 -2.541 18282 11355 1 19 . 1 1 48 48 GLY CA C 49 47.085 47.085 45.734 1.351 18282 11356 1 19 . 1 1 48 48 GLY H H 49 7.296 7.296 8.200 -0.904 18282 11357 1 19 . 1 1 49 49 THR N N 50 114.015 114.015 113.077 0.938 18282 11358 1 19 . 1 1 49 49 THR HA H 50 4.248 4.248 4.736 -0.488 18282 11359 1 19 . 1 1 49 49 THR CA C 50 61.830 61.830 59.635 2.195 18282 11360 1 19 . 1 1 49 49 THR CB C 50 70.692 70.692 71.567 -0.875 18282 11361 1 19 . 1 1 49 49 THR H H 50 7.599 7.599 7.485 0.114 18282 11362 1 19 . 1 1 50 50 ILE HA H 51 4.135 4.135 4.508 -0.373 18282 11363 1 19 . 1 1 50 50 ILE C C 51 172.608 172.608 174.670 -2.062 18282 11364 1 19 . 1 1 50 50 ILE CA C 51 59.075 59.075 60.736 -1.661 18282 11365 1 19 . 1 1 50 50 ILE CB C 51 35.416 35.416 39.398 -3.982 18282 11366 1 19 . 1 1 51 51 ASP N N 52 121.859 121.859 126.632 -4.773 18282 11367 1 19 . 1 1 51 51 ASP HA H 52 4.625 4.625 4.888 -0.263 18282 11368 1 19 . 1 1 51 51 ASP C C 52 175.770 175.770 175.512 0.258 18282 11369 1 19 . 1 1 51 51 ASP CA C 52 51.634 51.634 53.247 -1.613 18282 11370 1 19 . 1 1 51 51 ASP CB C 52 42.528 42.528 41.890 0.638 18282 11371 1 19 . 1 1 51 51 ASP H H 52 7.176 7.176 9.134 -1.958 18282 11372 1 19 . 1 1 52 52 ILE N N 53 119.549 119.549 122.080 -2.531 18282 11373 1 19 . 1 1 52 52 ILE HA H 53 4.150 4.150 4.178 -0.028 18282 11374 1 19 . 1 1 52 52 ILE C C 53 176.961 176.961 176.979 -0.018 18282 11375 1 19 . 1 1 52 52 ILE CA C 53 61.899 61.899 62.463 -0.564 18282 11376 1 19 . 1 1 52 52 ILE CB C 53 37.700 37.700 39.029 -1.329 18282 11377 1 19 . 1 1 52 52 ILE H H 53 8.777 8.777 8.635 0.142 18282 11378 1 19 . 1 1 53 53 LYS N N 54 123.515 123.515 120.841 2.674 18282 11379 1 19 . 1 1 53 53 LYS HA H 54 4.116 4.116 4.097 0.019 18282 11380 1 19 . 1 1 53 53 LYS C C 54 180.448 180.448 178.650 1.798 18282 11381 1 19 . 1 1 53 53 LYS CA C 54 59.934 59.934 59.502 0.431 18282 11382 1 19 . 1 1 53 53 LYS CB C 54 31.875 31.875 31.954 -0.079 18282 11383 1 19 . 1 1 53 53 LYS H H 54 8.106 8.106 8.308 -0.202 18282 11384 1 19 . 1 1 54 54 ARG N N 55 120.371 120.371 120.286 0.085 18282 11385 1 19 . 1 1 54 54 ARG HA H 55 4.422 4.422 4.000 0.422 18282 11386 1 19 . 1 1 54 54 ARG C C 55 179.159 179.159 178.143 1.016 18282 11387 1 19 . 1 1 54 54 ARG CA C 55 59.726 59.726 59.007 0.719 18282 11388 1 19 . 1 1 54 54 ARG CB C 55 37.368 37.368 29.799 7.569 18282 11389 1 19 . 1 1 54 54 ARG H H 55 9.183 9.183 8.543 0.640 18282 11390 1 19 . 1 1 55 55 TRP N N 56 120.755 120.755 120.337 0.418 18282 11391 1 19 . 1 1 55 55 TRP HA H 56 4.747 4.747 3.886 0.861 18282 11392 1 19 . 1 1 55 55 TRP C C 56 179.954 179.954 177.052 2.902 18282 11393 1 19 . 1 1 55 55 TRP CA C 56 60.105 60.105 59.394 0.711 18282 11394 1 19 . 1 1 55 55 TRP CB C 56 29.997 29.997 28.670 1.327 18282 11395 1 19 . 1 1 55 55 TRP H H 56 8.927 8.927 8.197 0.730 18282 11396 1 19 . 1 1 56 56 ARG N N 57 122.194 122.194 120.033 2.161 18282 11397 1 19 . 1 1 56 56 ARG HA H 57 4.406 4.406 3.131 1.275 18282 11398 1 19 . 1 1 56 56 ARG C C 57 178.101 178.101 178.094 0.007 18282 11399 1 19 . 1 1 56 56 ARG CA C 57 60.198 60.198 59.455 0.743 18282 11400 1 19 . 1 1 56 56 ARG CB C 57 29.585 29.585 29.589 -0.004 18282 11401 1 19 . 1 1 56 56 ARG H H 57 9.220 9.220 7.247 1.973 18282 11402 1 19 . 1 1 57 57 ARG N N 58 120.674 120.674 119.230 1.444 18282 11403 1 19 . 1 1 57 57 ARG HA H 58 4.186 4.186 3.862 0.324 18282 11404 1 19 . 1 1 57 57 ARG C C 58 179.445 179.445 178.385 1.060 18282 11405 1 19 . 1 1 57 57 ARG CA C 58 59.832 59.832 59.509 0.323 18282 11406 1 19 . 1 1 57 57 ARG CB C 58 29.753 29.753 29.967 -0.214 18282 11407 1 19 . 1 1 57 57 ARG H H 58 7.605 7.605 7.263 0.342 18282 11408 1 19 . 1 1 58 58 VAL N N 59 121.833 121.833 117.879 3.954 18282 11409 1 19 . 1 1 58 58 VAL HA H 59 3.675 3.675 3.788 -0.113 18282 11410 1 19 . 1 1 58 58 VAL C C 59 176.565 176.565 177.074 -0.509 18282 11411 1 19 . 1 1 58 58 VAL CA C 59 65.920 65.920 65.700 0.220 18282 11412 1 19 . 1 1 58 58 VAL CB C 59 30.785 30.785 31.787 -1.002 18282 11413 1 19 . 1 1 58 58 VAL H H 59 7.819 7.819 7.335 0.484 18282 11414 1 19 . 1 1 59 59 GLY N N 60 106.521 106.521 106.736 -0.215 18282 11415 1 19 . 1 1 59 59 GLY C C 60 175.923 175.923 175.346 0.577 18282 11416 1 19 . 1 1 59 59 GLY CA C 60 45.982 45.982 46.996 -1.014 18282 11417 1 19 . 1 1 59 59 GLY H H 60 7.540 7.540 8.006 -0.466 18282 11418 1 19 . 1 1 60 60 ASP N N 61 123.066 123.066 123.255 -0.189 18282 11419 1 19 . 1 1 60 60 ASP HA H 61 4.261 4.261 4.467 -0.206 18282 11420 1 19 . 1 1 60 60 ASP C C 61 178.537 178.537 178.521 0.016 18282 11421 1 19 . 1 1 60 60 ASP CA C 61 56.907 56.907 56.521 0.386 18282 11422 1 19 . 1 1 60 60 ASP CB C 61 39.654 39.654 40.534 -0.880 18282 11423 1 19 . 1 1 60 60 ASP H H 61 8.197 8.197 8.336 -0.139 18282 11424 1 19 . 1 1 61 61 CYS N N 62 121.005 121.005 118.965 2.040 18282 11425 1 19 . 1 1 61 61 CYS C C 62 177.083 177.083 176.921 0.162 18282 11426 1 19 . 1 1 61 61 CYS CA C 62 62.380 62.380 63.210 -0.830 18282 11427 1 19 . 1 1 61 61 CYS CB C 62 26.011 26.011 26.409 -0.398 18282 11428 1 19 . 1 1 61 61 CYS H H 62 7.858 7.858 7.595 0.263 18282 11429 1 19 . 1 1 62 62 PHE N N 63 119.362 119.362 118.738 0.624 18282 11430 1 19 . 1 1 62 62 PHE HA H 63 4.117 4.117 4.251 -0.134 18282 11431 1 19 . 1 1 62 62 PHE C C 63 178.081 178.081 178.349 -0.268 18282 11432 1 19 . 1 1 62 62 PHE CA C 63 57.843 57.843 62.534 -4.691 18282 11433 1 19 . 1 1 62 62 PHE CB C 63 36.605 36.605 38.537 -1.932 18282 11434 1 19 . 1 1 62 62 PHE H H 63 8.530 8.530 7.839 0.691 18282 11435 1 19 . 1 1 63 63 GLN N N 64 118.829 118.829 120.237 -1.408 18282 11436 1 19 . 1 1 63 63 GLN HA H 64 4.199 4.199 4.193 0.006 18282 11437 1 19 . 1 1 63 63 GLN C C 64 177.645 177.645 178.190 -0.545 18282 11438 1 19 . 1 1 63 63 GLN CA C 64 59.094 59.094 59.344 -0.250 18282 11439 1 19 . 1 1 63 63 GLN CB C 64 28.337 28.337 28.710 -0.374 18282 11440 1 19 . 1 1 63 63 GLN H H 64 8.236 8.236 8.902 -0.666 18282 11441 1 19 . 1 1 64 64 ASP N N 65 120.234 120.234 120.541 -0.307 18282 11442 1 19 . 1 1 64 64 ASP HA H 65 4.481 4.481 4.343 0.138 18282 11443 1 19 . 1 1 64 64 ASP CA C 65 57.301 57.301 57.102 0.199 18282 11444 1 19 . 1 1 64 64 ASP CB C 65 40.773 40.773 40.363 0.410 18282 11445 1 19 . 1 1 64 64 ASP H H 65 8.257 8.257 8.142 0.115 18282 11446 1 19 . 1 1 65 65 TYR HA H 66 4.598 4.598 4.371 0.227 18282 11447 1 19 . 1 1 65 65 TYR C C 66 178.524 178.524 178.656 -0.132 18282 11448 1 19 . 1 1 65 65 TYR CA C 66 60.355 60.355 61.358 -1.003 18282 11449 1 19 . 1 1 65 65 TYR CB C 66 37.796 37.796 38.412 -0.616 18282 11450 1 19 . 1 1 66 66 TYR N N 67 122.741 122.741 121.047 1.694 18282 11451 1 19 . 1 1 66 66 TYR HA H 67 4.044 4.044 4.199 -0.155 18282 11452 1 19 . 1 1 66 66 TYR C C 67 178.220 178.220 177.277 0.943 18282 11453 1 19 . 1 1 66 66 TYR CA C 67 61.726 61.726 62.230 -0.504 18282 11454 1 19 . 1 1 66 66 TYR CB C 67 38.932 38.932 38.718 0.214 18282 11455 1 19 . 1 1 66 66 TYR H H 67 9.083 9.083 9.019 0.064 18282 11456 1 19 . 1 1 67 67 ASN N N 68 118.530 118.530 115.425 3.105 18282 11457 1 19 . 1 1 67 67 ASN HA H 68 4.378 4.378 4.613 -0.235 18282 11458 1 19 . 1 1 67 67 ASN C C 68 176.633 176.633 178.083 -1.450 18282 11459 1 19 . 1 1 67 67 ASN CA C 68 55.293 55.293 55.474 -0.181 18282 11460 1 19 . 1 1 67 67 ASN CB C 68 37.860 37.860 38.151 -0.291 18282 11461 1 19 . 1 1 67 67 ASN H H 68 8.796 8.796 8.614 0.182 18282 11462 1 19 . 1 1 68 68 THR N N 69 114.328 114.328 113.270 1.058 18282 11463 1 19 . 1 1 68 68 THR HA H 69 3.872 3.872 4.151 -0.279 18282 11464 1 19 . 1 1 68 68 THR C C 69 174.832 174.832 174.954 -0.122 18282 11465 1 19 . 1 1 68 68 THR CA C 69 65.224 65.224 64.599 0.625 18282 11466 1 19 . 1 1 68 68 THR CB C 69 69.484 69.484 68.294 1.190 18282 11467 1 19 . 1 1 68 68 THR H H 69 7.960 7.960 7.777 0.183 18282 11468 1 19 . 1 1 69 69 PHE N N 70 118.107 118.107 119.945 -1.838 18282 11469 1 19 . 1 1 69 69 PHE HA H 70 4.626 4.626 4.810 -0.184 18282 11470 1 19 . 1 1 69 69 PHE C C 70 176.495 176.495 175.127 1.368 18282 11471 1 19 . 1 1 69 69 PHE CA C 70 58.409 58.409 57.723 0.686 18282 11472 1 19 . 1 1 69 69 PHE CB C 70 40.742 40.742 40.167 0.575 18282 11473 1 19 . 1 1 69 69 PHE H H 70 8.591 8.591 8.066 0.525 18282 11474 1 19 . 1 1 70 70 GLY N N 71 109.309 109.309 108.458 0.851 18282 11475 1 19 . 1 1 70 70 GLY CA C 71 44.684 44.684 45.252 -0.568 18282 11476 1 19 . 1 1 70 70 GLY H H 71 7.893 7.893 7.244 0.649 18282 11477 1 19 . 1 1 71 71 PRO HA H 72 4.691 4.691 4.657 0.034 18282 11478 1 19 . 1 1 71 71 PRO C C 72 177.772 177.772 176.704 1.068 18282 11479 1 19 . 1 1 71 71 PRO CA C 72 63.458 63.458 62.381 1.077 18282 11480 1 19 . 1 1 71 71 PRO CB C 72 31.823 31.823 33.224 -1.401 18282 11481 1 19 . 1 1 72 72 GLU N N 73 117.421 117.421 122.883 -5.462 18282 11482 1 19 . 1 1 72 72 GLU HA H 73 4.061 4.061 4.090 -0.029 18282 11483 1 19 . 1 1 72 72 GLU C C 73 177.236 177.236 177.301 -0.065 18282 11484 1 19 . 1 1 72 72 GLU CA C 73 58.570 58.570 58.276 0.294 18282 11485 1 19 . 1 1 72 72 GLU CB C 73 28.853 28.853 30.089 -1.236 18282 11486 1 19 . 1 1 72 72 GLU H H 73 8.595 8.595 8.601 -0.006 18282 11487 1 19 . 1 1 73 73 LYS N N 74 116.846 116.846 119.565 -2.719 18282 11488 1 19 . 1 1 73 73 LYS HA H 74 4.381 4.381 4.275 0.106 18282 11489 1 19 . 1 1 73 73 LYS C C 74 175.662 175.662 175.455 0.207 18282 11490 1 19 . 1 1 73 73 LYS CA C 74 55.263 55.263 56.843 -1.581 18282 11491 1 19 . 1 1 73 73 LYS CB C 74 33.891 33.891 32.288 1.603 18282 11492 1 19 . 1 1 73 73 LYS H H 74 7.493 7.493 8.182 -0.689 18282 11493 1 19 . 1 1 74 74 VAL N N 75 118.056 118.056 118.144 -0.088 18282 11494 1 19 . 1 1 74 74 VAL HA H 75 4.423 4.423 3.937 0.486 18282 11495 1 19 . 1 1 74 74 VAL CA C 75 58.438 58.438 62.141 -3.703 18282 11496 1 19 . 1 1 74 74 VAL CB C 75 33.763 33.763 31.329 2.434 18282 11497 1 19 . 1 1 74 74 VAL H H 75 7.342 7.342 7.630 -0.288 18282 11498 1 19 . 1 1 75 75 PRO HA H 76 4.585 4.585 4.442 0.143 18282 11499 1 19 . 1 1 75 75 PRO C C 76 178.543 178.543 177.328 1.215 18282 11500 1 19 . 1 1 75 75 PRO CA C 76 61.911 61.911 62.818 -0.907 18282 11501 1 19 . 1 1 75 75 PRO CB C 76 32.035 32.035 32.492 -0.457 18282 11502 1 19 . 1 1 76 76 VAL N N 77 119.825 119.825 125.977 -6.152 18282 11503 1 19 . 1 1 76 76 VAL HA H 77 3.921 3.921 3.869 0.052 18282 11504 1 19 . 1 1 76 76 VAL CA C 77 65.316 65.316 63.825 1.492 18282 11505 1 19 . 1 1 76 76 VAL CB C 77 31.316 31.316 30.885 0.431 18282 11506 1 19 . 1 1 76 76 VAL H H 77 8.604 8.604 8.426 0.178 18282 11507 1 19 . 1 1 77 77 THR N N 78 109.390 109.390 110.879 -1.489 18282 11508 1 19 . 1 1 77 77 THR HA H 78 3.914 3.914 4.000 -0.086 18282 11509 1 19 . 1 1 77 77 THR C C 78 175.732 175.732 175.904 -0.172 18282 11510 1 19 . 1 1 77 77 THR CA C 78 62.803 62.803 65.155 -2.352 18282 11511 1 19 . 1 1 77 77 THR CB C 78 68.357 68.357 68.456 -0.099 18282 11512 1 19 . 1 1 77 77 THR H H 78 7.380 7.380 8.133 -0.753 18282 11513 1 19 . 1 1 78 78 ALA N N 79 123.661 123.661 123.752 -0.091 18282 11514 1 19 . 1 1 78 78 ALA HA H 79 4.001 4.001 4.068 -0.067 18282 11515 1 19 . 1 1 78 78 ALA C C 79 179.527 179.527 179.037 0.490 18282 11516 1 19 . 1 1 78 78 ALA CA C 79 55.091 55.091 54.395 0.696 18282 11517 1 19 . 1 1 78 78 ALA CB C 79 17.561 17.561 18.174 -0.613 18282 11518 1 19 . 1 1 78 78 ALA H H 79 7.811 7.811 7.445 0.366 18282 11519 1 19 . 1 1 79 79 PHE N N 80 114.258 114.258 117.048 -2.790 18282 11520 1 19 . 1 1 79 79 PHE HA H 80 4.452 4.452 3.549 0.903 18282 11521 1 19 . 1 1 79 79 PHE C C 80 178.586 178.586 177.515 1.071 18282 11522 1 19 . 1 1 79 79 PHE CA C 80 61.656 61.656 60.187 1.469 18282 11523 1 19 . 1 1 79 79 PHE CB C 80 37.694 37.694 38.123 -0.429 18282 11524 1 19 . 1 1 79 79 PHE H H 80 7.306 7.306 8.791 -1.485 18282 11525 1 19 . 1 1 80 80 SER N N 81 116.865 116.865 114.989 1.876 18282 11526 1 19 . 1 1 80 80 SER CA C 81 61.824 61.824 61.858 -0.034 18282 11527 1 19 . 1 1 80 80 SER H H 81 7.733 7.733 7.699 0.034 18282 11528 1 19 . 1 1 81 81 TYR N N 82 121.932 121.932 122.352 -0.420 18282 11529 1 19 . 1 1 81 81 TYR HA H 82 4.133 4.133 4.182 -0.049 18282 11530 1 19 . 1 1 81 81 TYR C C 82 177.701 177.701 177.992 -0.291 18282 11531 1 19 . 1 1 81 81 TYR CA C 82 60.027 60.027 62.367 -2.340 18282 11532 1 19 . 1 1 81 81 TYR CB C 82 34.104 34.104 38.147 -4.043 18282 11533 1 19 . 1 1 81 81 TYR H H 82 8.151 8.151 7.536 0.615 18282 11534 1 19 . 1 1 82 82 TRP N N 83 120.817 120.817 116.948 3.869 18282 11535 1 19 . 1 1 82 82 TRP HA H 83 4.436 4.436 4.480 -0.044 18282 11536 1 19 . 1 1 82 82 TRP CA C 83 63.975 63.975 58.293 5.682 18282 11537 1 19 . 1 1 82 82 TRP CB C 83 28.557 28.557 28.238 0.319 18282 11538 1 19 . 1 1 82 82 TRP H H 83 8.645 8.645 7.786 0.859 18282 11539 1 19 . 1 1 83 83 ASN HA H 84 4.230 4.230 4.563 -0.333 18282 11540 1 19 . 1 1 83 83 ASN C C 84 176.140 176.140 177.927 -1.787 18282 11541 1 19 . 1 1 83 83 ASN CA C 84 56.683 56.683 56.292 0.391 18282 11542 1 19 . 1 1 83 83 ASN CB C 84 39.116 39.116 37.986 1.131 18282 11543 1 19 . 1 1 84 84 LEU N N 85 121.884 121.884 122.175 -0.291 18282 11544 1 19 . 1 1 84 84 LEU HA H 85 4.054 4.054 4.201 -0.147 18282 11545 1 19 . 1 1 84 84 LEU C C 85 178.369 178.369 178.528 -0.159 18282 11546 1 19 . 1 1 84 84 LEU CA C 85 58.228 58.228 57.856 0.372 18282 11547 1 19 . 1 1 84 84 LEU CB C 85 41.576 41.576 41.952 -0.376 18282 11548 1 19 . 1 1 84 84 LEU H H 85 7.751 7.751 7.866 -0.115 18282 11549 1 19 . 1 1 85 85 ILE N N 86 116.825 116.825 119.011 -2.186 18282 11550 1 19 . 1 1 85 85 ILE HA H 86 3.462 3.462 3.647 -0.185 18282 11551 1 19 . 1 1 85 85 ILE C C 86 176.809 176.809 177.684 -0.875 18282 11552 1 19 . 1 1 85 85 ILE CA C 86 61.345 61.345 65.550 -4.205 18282 11553 1 19 . 1 1 85 85 ILE CB C 86 34.099 34.099 37.858 -3.759 18282 11554 1 19 . 1 1 85 85 ILE H H 86 7.952 7.952 8.833 -0.881 18282 11555 1 19 . 1 1 86 86 LYS N N 87 121.846 121.846 120.667 1.179 18282 11556 1 19 . 1 1 86 86 LYS HA H 87 3.231 3.231 4.023 -0.792 18282 11557 1 19 . 1 1 86 86 LYS C C 87 177.221 177.221 178.404 -1.183 18282 11558 1 19 . 1 1 86 86 LYS CA C 87 60.033 60.033 59.891 0.143 18282 11559 1 19 . 1 1 86 86 LYS CB C 87 31.005 31.005 32.450 -1.444 18282 11560 1 19 . 1 1 86 86 LYS H H 87 7.876 7.876 8.093 -0.217 18282 11561 1 19 . 1 1 87 87 GLU N N 88 116.331 116.331 119.388 -3.057 18282 11562 1 19 . 1 1 87 87 GLU HA H 88 3.861 3.861 4.421 -0.560 18282 11563 1 19 . 1 1 87 87 GLU C C 88 178.810 178.810 178.856 -0.046 18282 11564 1 19 . 1 1 87 87 GLU CA C 88 58.949 58.949 58.235 0.714 18282 11565 1 19 . 1 1 87 87 GLU CB C 88 29.221 29.221 29.108 0.113 18282 11566 1 19 . 1 1 87 87 GLU H H 88 7.679 7.679 7.764 -0.085 18282 11567 1 19 . 1 1 88 88 LEU N N 89 118.090 118.090 121.472 -3.382 18282 11568 1 19 . 1 1 88 88 LEU HA H 89 3.909 3.909 4.106 -0.197 18282 11569 1 19 . 1 1 88 88 LEU CA C 89 57.688 57.688 57.916 -0.228 18282 11570 1 19 . 1 1 88 88 LEU CB C 89 41.436 41.436 41.490 -0.054 18282 11571 1 19 . 1 1 88 88 LEU H H 89 7.441 7.441 8.290 -0.849 18282 11572 1 19 . 1 1 89 89 ILE HA H 90 3.344 3.344 3.704 -0.360 18282 11573 1 19 . 1 1 89 89 ILE CA C 90 65.082 65.082 64.615 0.467 18282 11574 1 19 . 1 1 89 89 ILE CB C 90 37.556 37.556 37.888 -0.332 18282 11575 1 19 . 1 1 90 90 ASP HA H 91 3.894 3.894 4.354 -0.460 18282 11576 1 19 . 1 1 90 90 ASP CA C 91 57.678 57.678 56.040 1.638 18282 11577 1 19 . 1 1 90 90 ASP CB C 91 40.546 40.546 40.589 -0.043 18282 11578 1 19 . 1 1 91 91 LYS N N 92 119.422 119.422 119.250 0.172 18282 11579 1 19 . 1 1 91 91 LYS CA C 92 54.600 54.600 56.991 -2.391 18282 11580 1 19 . 1 1 91 91 LYS CB C 92 32.014 32.014 32.907 -0.893 18282 11581 1 19 . 1 1 91 91 LYS H H 92 7.903 7.903 7.528 0.375 18282 11582 1 19 . 1 1 92 92 LYS HA H 93 4.541 4.541 4.090 0.451 18282 11583 1 19 . 1 1 92 92 LYS CA C 93 55.202 55.202 58.746 -3.544 18282 11584 1 19 . 1 1 92 92 LYS CB C 93 31.758 31.758 32.552 -0.794 18282 11585 1 19 . 1 1 93 93 GLU N N 94 115.922 115.922 120.119 -4.197 18282 11586 1 19 . 1 1 93 93 GLU HA H 94 4.283 4.283 4.254 0.029 18282 11587 1 19 . 1 1 93 93 GLU C C 94 175.613 175.613 175.686 -0.073 18282 11588 1 19 . 1 1 93 93 GLU CA C 94 56.296 56.296 55.750 0.546 18282 11589 1 19 . 1 1 93 93 GLU CB C 94 29.415 29.415 28.564 0.851 18282 11590 1 19 . 1 1 93 93 GLU H H 94 8.140 8.140 8.492 -0.352 18282 11591 1 19 . 1 1 94 94 VAL N N 95 121.304 121.304 120.688 0.616 18282 11592 1 19 . 1 1 94 94 VAL HA H 95 3.773 3.773 4.034 -0.261 18282 11593 1 19 . 1 1 94 94 VAL CA C 95 62.257 62.257 61.830 0.427 18282 11594 1 19 . 1 1 94 94 VAL CB C 95 32.047 32.047 32.906 -0.858 18282 11595 1 19 . 1 1 94 94 VAL H H 95 8.003 8.003 7.701 0.302 18282 11596 1 19 . 1 1 95 95 ASN H H 96 7.518 7.518 8.586 -1.068 18282 11597 1 19 . 1 1 96 96 PRO HA H 97 4.319 4.319 4.052 0.267 18282 11598 1 19 . 1 1 96 96 PRO C C 97 179.088 179.088 178.079 1.009 18282 11599 1 19 . 1 1 96 96 PRO CA C 97 64.963 64.963 65.351 -0.388 18282 11600 1 19 . 1 1 96 96 PRO CB C 97 32.035 32.035 31.464 0.571 18282 11601 1 19 . 1 1 97 97 GLN N N 98 117.793 117.793 118.316 -0.523 18282 11602 1 19 . 1 1 97 97 GLN HA H 98 3.952 3.952 3.940 0.012 18282 11603 1 19 . 1 1 97 97 GLN C C 98 179.272 179.272 177.815 1.457 18282 11604 1 19 . 1 1 97 97 GLN CA C 98 55.691 55.691 58.995 -3.304 18282 11605 1 19 . 1 1 97 97 GLN CB C 98 28.378 28.378 28.015 0.363 18282 11606 1 19 . 1 1 97 97 GLN H H 98 8.351 8.351 8.258 0.093 18282 11607 1 19 . 1 1 98 98 VAL N N 99 121.247 121.247 119.814 1.433 18282 11608 1 19 . 1 1 98 98 VAL HA H 99 3.440 3.440 3.740 -0.300 18282 11609 1 19 . 1 1 98 98 VAL CA C 99 67.776 67.776 66.293 1.484 18282 11610 1 19 . 1 1 98 98 VAL CB C 99 31.574 31.574 31.492 0.082 18282 11611 1 19 . 1 1 98 98 VAL H H 99 7.901 7.901 8.038 -0.137 18282 11612 1 19 . 1 1 100 100 ALA HA H 101 4.218 4.218 4.023 0.195 18282 11613 1 19 . 1 1 100 100 ALA C C 101 179.599 179.599 178.903 0.696 18282 11614 1 19 . 1 1 100 100 ALA CA C 101 54.685 54.685 54.567 0.118 18282 11615 1 19 . 1 1 100 100 ALA CB C 101 17.562 17.562 18.165 -0.603 18282 11616 1 19 . 1 1 101 101 ALA N N 102 119.533 119.533 120.641 -1.108 18282 11617 1 19 . 1 1 101 101 ALA HA H 102 4.005 4.005 4.086 -0.081 18282 11618 1 19 . 1 1 101 101 ALA C C 102 180.970 180.970 179.431 1.539 18282 11619 1 19 . 1 1 101 101 ALA CA C 102 55.013 55.013 54.087 0.926 18282 11620 1 19 . 1 1 101 101 ALA CB C 102 17.422 17.422 18.237 -0.815 18282 11621 1 19 . 1 1 101 101 ALA H H 102 7.559 7.559 7.753 -0.194 18282 11622 1 19 . 1 1 102 102 VAL N N 103 122.669 122.669 119.090 3.579 18282 11623 1 19 . 1 1 102 102 VAL HA H 103 4.087 4.087 3.646 0.441 18282 11624 1 19 . 1 1 102 102 VAL C C 103 175.666 175.666 177.159 -1.493 18282 11625 1 19 . 1 1 102 102 VAL CA C 103 61.850 61.850 66.016 -4.166 18282 11626 1 19 . 1 1 102 102 VAL CB C 103 32.576 32.576 31.160 1.416 18282 11627 1 19 . 1 1 102 102 VAL H H 103 8.851 8.851 7.935 0.916 18282 11628 1 19 . 1 1 103 103 ALA N N 104 128.048 128.048 119.792 8.256 18282 11629 1 19 . 1 1 103 103 ALA HA H 104 4.288 4.288 3.892 0.396 18282 11630 1 19 . 1 1 103 103 ALA C C 104 177.344 177.344 178.258 -0.914 18282 11631 1 19 . 1 1 103 103 ALA CA C 104 52.194 52.194 54.090 -1.897 18282 11632 1 19 . 1 1 103 103 ALA CB C 104 19.021 19.021 18.818 0.203 18282 11633 1 19 . 1 1 103 103 ALA H H 104 8.374 8.374 7.548 0.826 18282 11634 1 19 . 1 1 104 104 GLN N N 105 120.285 120.285 115.288 4.997 18282 11635 1 19 . 1 1 104 104 GLN HA H 105 4.281 4.281 3.867 0.414 18282 11636 1 19 . 1 1 104 104 GLN CA C 105 55.656 55.656 57.859 -2.203 18282 11637 1 19 . 1 1 104 104 GLN CB C 105 32.581 32.581 27.277 5.304 18282 11638 1 19 . 1 1 104 104 GLN H H 105 8.374 8.374 8.587 -0.213 18282 11639 1 19 . 1 1 105 105 THR HA H 106 4.293 4.293 4.544 -0.251 18282 11640 1 19 . 1 1 105 105 THR C C 106 174.384 174.384 173.625 0.759 18282 11641 1 19 . 1 1 105 105 THR CA C 106 61.663 61.663 61.102 0.561 18282 11642 1 19 . 1 1 105 105 THR CB C 106 69.458 69.458 70.674 -1.216 18282 11643 1 19 . 1 1 106 106 GLU N N 107 122.744 122.744 121.808 0.936 18282 11644 1 19 . 1 1 106 106 GLU HA H 107 4.241 4.241 4.494 -0.253 18282 11645 1 19 . 1 1 106 106 GLU C C 107 176.331 176.331 176.334 -0.003 18282 11646 1 19 . 1 1 106 106 GLU CA C 107 56.621 56.621 55.468 1.153 18282 11647 1 19 . 1 1 106 106 GLU CB C 107 30.004 30.004 30.750 -0.746 18282 11648 1 19 . 1 1 106 106 GLU H H 107 8.415 8.415 8.518 -0.103 18282 11649 1 19 . 1 1 107 107 GLU N N 108 121.993 121.993 121.629 0.364 18282 11650 1 19 . 1 1 107 107 GLU HA H 108 4.184 4.184 4.451 -0.267 18282 11651 1 19 . 1 1 107 107 GLU C C 108 176.404 176.404 177.894 -1.490 18282 11652 1 19 . 1 1 107 107 GLU CA C 108 56.721 56.721 55.839 0.882 18282 11653 1 19 . 1 1 107 107 GLU CB C 108 29.770 29.770 30.202 -0.432 18282 11654 1 19 . 1 1 107 107 GLU H H 108 8.334 8.334 8.626 -0.292 18282 11655 1 19 . 1 1 108 108 ILE N N 109 122.204 122.204 121.388 0.816 18282 11656 1 19 . 1 1 108 108 ILE HA H 109 4.052 4.052 3.794 0.258 18282 11657 1 19 . 1 1 108 108 ILE C C 109 176.261 176.261 176.691 -0.430 18282 11658 1 19 . 1 1 108 108 ILE CA C 109 61.245 61.245 63.469 -2.224 18282 11659 1 19 . 1 1 108 108 ILE CB C 109 38.157 38.157 37.640 0.517 18282 11660 1 19 . 1 1 108 108 ILE H H 109 8.068 8.068 8.853 -0.785 18282 11661 1 19 . 1 1 109 109 LEU N N 110 125.608 125.608 120.395 5.213 18282 11662 1 19 . 1 1 109 109 LEU HA H 110 4.295 4.295 4.032 0.263 18282 11663 1 19 . 1 1 109 109 LEU C C 110 177.275 177.275 178.811 -1.536 18282 11664 1 19 . 1 1 109 109 LEU CA C 110 55.103 55.103 57.225 -2.123 18282 11665 1 19 . 1 1 109 109 LEU CB C 110 41.929 41.929 41.521 0.408 18282 11666 1 19 . 1 1 109 109 LEU H H 110 8.187 8.187 7.693 0.494 18282 11667 1 19 . 1 1 110 110 LYS N N 111 122.154 122.154 119.403 2.751 18282 11668 1 19 . 1 1 110 110 LYS HA H 111 4.278 4.278 4.214 0.064 18282 11669 1 19 . 1 1 110 110 LYS C C 111 176.606 176.606 177.680 -1.074 18282 11670 1 19 . 1 1 110 110 LYS CA C 111 56.125 56.125 58.926 -2.801 18282 11671 1 19 . 1 1 110 110 LYS CB C 111 32.423 32.423 32.496 -0.073 18282 11672 1 19 . 1 1 110 110 LYS H H 111 8.206 8.206 8.173 0.033 18282 11673 1 19 . 1 1 111 111 SER N N 112 116.381 116.381 113.226 3.155 18282 11674 1 19 . 1 1 111 111 SER HA H 112 4.395 4.395 4.228 0.167 18282 11675 1 19 . 1 1 111 111 SER C C 112 175.168 175.168 176.462 -1.294 18282 11676 1 19 . 1 1 111 111 SER CA C 112 58.456 58.456 60.823 -2.367 18282 11677 1 19 . 1 1 111 111 SER CB C 112 63.495 63.495 63.127 0.367 18282 11678 1 19 . 1 1 111 111 SER H H 112 8.217 8.217 7.672 0.545 18282 11679 1 19 . 1 1 112 112 ASN N N 113 119.799 119.799 120.735 -0.936 18282 11680 1 19 . 1 1 112 112 ASN HA H 113 4.699 4.699 4.634 0.065 18282 11681 1 19 . 1 1 112 112 ASN C C 113 175.552 175.552 175.234 0.318 18282 11682 1 19 . 1 1 112 112 ASN CA C 113 53.592 53.592 54.862 -1.270 18282 11683 1 19 . 1 1 112 112 ASN CB C 113 38.772 38.772 39.362 -0.590 18282 11684 1 19 . 1 1 112 112 ASN H H 113 7.950 7.950 7.711 0.239 18282 11685 1 19 . 1 1 113 113 SER N N 114 115.430 115.430 110.717 4.713 18282 11686 1 19 . 1 1 113 113 SER HA H 114 4.382 4.382 4.654 -0.272 18282 11687 1 19 . 1 1 113 113 SER C C 114 174.558 174.558 172.696 1.862 18282 11688 1 19 . 1 1 113 113 SER CA C 114 58.919 58.919 58.009 0.910 18282 11689 1 19 . 1 1 113 113 SER CB C 114 63.494 63.494 64.430 -0.936 18282 11690 1 19 . 1 1 113 113 SER H H 114 7.970 7.970 7.691 0.279 18282 11691 1 19 . 1 1 114 114 GLN N N 115 121.973 121.973 120.373 1.600 18282 11692 1 19 . 1 1 114 114 GLN HA H 115 4.347 4.347 4.462 -0.115 18282 11693 1 19 . 1 1 114 114 GLN C C 115 176.246 176.246 176.416 -0.170 18282 11694 1 19 . 1 1 114 114 GLN CA C 115 56.036 56.036 55.945 0.091 18282 11695 1 19 . 1 1 114 114 GLN CB C 115 29.196 29.196 28.995 0.201 18282 11696 1 19 . 1 1 114 114 GLN H H 115 8.382 8.382 8.851 -0.469 18282 11697 1 19 . 1 1 115 115 THR N N 116 114.701 114.701 112.156 2.545 18282 11698 1 19 . 1 1 115 115 THR HA H 116 4.238 4.238 4.075 0.163 18282 11699 1 19 . 1 1 115 115 THR C C 116 174.276 174.276 176.332 -2.056 18282 11700 1 19 . 1 1 115 115 THR CA C 116 62.221 62.221 65.532 -3.311 18282 11701 1 19 . 1 1 115 115 THR CB C 116 69.405 69.405 68.601 0.804 18282 11702 1 19 . 1 1 115 115 THR H H 116 8.070 8.070 7.394 0.676 18282 11703 1 19 . 1 1 116 116 ASP N N 117 122.566 122.566 123.020 -0.454 18282 11704 1 19 . 1 1 116 116 ASP HA H 117 4.575 4.575 4.494 0.081 18282 11705 1 19 . 1 1 116 116 ASP C C 117 176.241 176.241 175.853 0.388 18282 11706 1 19 . 1 1 116 116 ASP CA C 117 54.286 54.286 56.672 -2.386 18282 11707 1 19 . 1 1 116 116 ASP CB C 117 40.609 40.609 40.825 -0.216 18282 11708 1 19 . 1 1 116 116 ASP H H 117 8.288 8.288 8.480 -0.192 18282 11709 1 19 . 1 1 117 117 LEU N N 118 122.118 122.118 118.269 3.849 18282 11710 1 19 . 1 1 117 117 LEU HA H 118 4.163 4.163 4.544 -0.381 18282 11711 1 19 . 1 1 117 117 LEU C C 118 177.637 177.637 175.566 2.071 18282 11712 1 19 . 1 1 117 117 LEU CA C 118 55.475 55.475 53.338 2.137 18282 11713 1 19 . 1 1 117 117 LEU CB C 118 41.964 41.964 41.343 0.622 18282 11714 1 19 . 1 1 117 117 LEU H H 118 8.088 8.088 7.865 0.223 18282 11715 1 19 . 1 1 118 118 GLU N N 119 119.527 119.527 121.278 -1.751 18282 11716 1 19 . 1 1 118 118 GLU HA H 119 4.086 4.086 4.096 -0.010 18282 11717 1 19 . 1 1 118 118 GLU C C 119 176.265 176.265 175.826 0.439 18282 11718 1 19 . 1 1 118 118 GLU CA C 119 56.569 56.569 55.999 0.570 18282 11719 1 19 . 1 1 118 118 GLU CB C 119 29.486 29.486 30.540 -1.054 18282 11720 1 19 . 1 1 118 118 GLU H H 119 8.134 8.134 7.537 0.597 18282 11721 1 19 . 1 1 119 119 HIS N N 120 118.076 118.076 119.775 -1.699 18282 11722 1 19 . 1 1 119 119 HIS HA H 120 4.485 4.485 4.256 0.229 18282 11723 1 19 . 1 1 119 119 HIS CA C 120 55.422 55.422 58.634 -3.212 18282 11724 1 19 . 1 1 119 119 HIS CB C 120 28.628 28.628 30.062 -1.434 18282 11725 1 19 . 1 1 119 119 HIS H H 120 8.134 8.134 8.294 -0.160 18282 11726 1 19 . 1 1 120 120 HIS N N 121 119.323 119.323 117.522 1.801 18282 11727 1 19 . 1 1 120 120 HIS HA H 121 4.242 4.242 4.854 -0.612 18282 11728 1 19 . 1 1 120 120 HIS CA C 121 56.732 56.732 55.276 1.456 18282 11729 1 19 . 1 1 120 120 HIS H H 121 8.372 8.372 8.226 0.146 18282 11730 1 19 . 1 1 121 121 HIS N N 122 126.032 126.032 122.366 3.666 18282 11731 1 19 . 1 1 121 121 HIS CA C 122 57.036 57.036 57.856 -0.820 18282 11732 1 19 . 1 1 121 121 HIS CB C 122 29.923 29.923 30.536 -0.613 18282 11733 1 19 . 1 1 121 121 HIS H H 122 7.900 7.900 8.823 -0.923 18282 11734 1 19 . 1 1 122 122 HIS N N 123 121.012 121.012 118.747 2.265 18282 11735 1 19 . 1 1 122 122 HIS HA H 123 4.595 4.595 4.390 0.205 18282 11736 1 19 . 1 1 122 122 HIS CA C 123 55.372 55.372 56.110 -0.738 18282 11737 1 19 . 1 1 122 122 HIS CB C 123 29.165 29.165 30.336 -1.171 18282 11738 1 19 . 1 1 122 122 HIS H H 123 8.595 8.595 8.095 0.500 18282 11739 1 19 . 1 1 123 123 HIS N N 124 120.343 120.343 121.710 -1.367 18282 11740 1 19 . 1 1 123 123 HIS CA C 124 57.380 57.380 55.348 2.032 18282 11741 1 19 . 1 1 123 123 HIS CB C 124 35.491 35.491 30.981 4.510 18282 11742 1 19 . 1 1 123 123 HIS H H 124 8.558 8.558 7.761 0.797 18282 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 100 3.114 -0.218 3.122 18282 2 1 1 "Average Difference" HA 107 0.314 0.043 0.312 18282 3 1 1 "Average Difference" C 89 1.241 0.145 1.240 18282 4 1 1 "Average Difference" CA 118 1.709 0.248 1.698 18282 5 1 1 "Average Difference" CB 108 1.508 0.180 1.504 18282 6 1 1 "Average Difference" HN 101 0.684 0.054 0.685 18282 7 1 2 "Average Difference" N 100 2.853 -0.174 2.862 18282 8 1 2 "Average Difference" HA 107 0.294 0.045 0.292 18282 9 1 2 "Average Difference" C 89 1.247 0.150 1.245 18282 10 1 2 "Average Difference" CA 118 1.675 0.301 1.655 18282 11 1 2 "Average Difference" CB 108 1.634 0.243 1.623 18282 12 1 2 "Average Difference" HN 101 0.683 0.047 0.685 18282 13 1 3 "Average Difference" N 100 3.132 -0.310 3.132 18282 14 1 3 "Average Difference" HA 107 0.303 0.045 0.302 18282 15 1 3 "Average Difference" C 89 1.201 0.088 1.205 18282 16 1 3 "Average Difference" CA 118 1.683 0.227 1.675 18282 17 1 3 "Average Difference" CB 108 1.485 0.282 1.465 18282 18 1 3 "Average Difference" HN 101 0.683 0.046 0.685 18282 19 1 4 "Average Difference" N 100 3.009 -0.169 3.020 18282 20 1 4 "Average Difference" HA 107 0.396 0.065 0.392 18282 21 1 4 "Average Difference" C 89 1.305 0.100 1.309 18282 22 1 4 "Average Difference" CA 118 1.819 0.188 1.817 18282 23 1 4 "Average Difference" CB 108 1.498 0.321 1.470 18282 24 1 4 "Average Difference" HN 101 0.673 0.026 0.676 18282 25 1 5 "Average Difference" N 100 2.893 -0.197 2.901 18282 26 1 5 "Average Difference" HA 107 0.319 0.049 0.317 18282 27 1 5 "Average Difference" C 89 1.206 0.150 1.203 18282 28 1 5 "Average Difference" CA 118 1.658 0.288 1.640 18282 29 1 5 "Average Difference" CB 108 1.558 0.157 1.558 18282 30 1 5 "Average Difference" HN 101 0.652 0.032 0.655 18282 31 1 6 "Average Difference" N 100 3.034 -0.324 3.032 18282 32 1 6 "Average Difference" HA 107 0.302 0.075 0.294 18282 33 1 6 "Average Difference" C 89 1.222 0.141 1.221 18282 34 1 6 "Average Difference" CA 118 1.681 0.228 1.672 18282 35 1 6 "Average Difference" CB 108 1.481 0.271 1.463 18282 36 1 6 "Average Difference" HN 101 0.629 0.034 0.631 18282 37 1 7 "Average Difference" N 100 2.980 -0.176 2.990 18282 38 1 7 "Average Difference" HA 107 0.333 0.055 0.330 18282 39 1 7 "Average Difference" C 89 1.306 0.195 1.299 18282 40 1 7 "Average Difference" CA 118 1.716 0.235 1.707 18282 41 1 7 "Average Difference" CB 108 1.576 0.312 1.552 18282 42 1 7 "Average Difference" HN 101 0.672 0.044 0.674 18282 43 1 8 "Average Difference" N 100 3.022 0.022 3.037 18282 44 1 8 "Average Difference" HA 107 0.310 0.088 0.298 18282 45 1 8 "Average Difference" C 89 1.218 0.052 1.223 18282 46 1 8 "Average Difference" CA 118 1.713 0.164 1.712 18282 47 1 8 "Average Difference" CB 108 1.626 0.308 1.604 18282 48 1 8 "Average Difference" HN 101 0.648 0.035 0.650 18282 49 1 9 "Average Difference" N 100 2.975 -0.460 2.953 18282 50 1 9 "Average Difference" HA 107 0.345 0.072 0.339 18282 51 1 9 "Average Difference" C 89 1.244 0.106 1.246 18282 52 1 9 "Average Difference" CA 118 1.793 0.257 1.782 18282 53 1 9 "Average Difference" CB 108 1.528 0.258 1.513 18282 54 1 9 "Average Difference" HN 101 0.624 0.031 0.626 18282 55 1 10 "Average Difference" N 100 3.119 -0.349 3.115 18282 56 1 10 "Average Difference" HA 107 0.318 0.038 0.317 18282 57 1 10 "Average Difference" C 89 1.230 0.205 1.220 18282 58 1 10 "Average Difference" CA 118 1.767 0.345 1.740 18282 59 1 10 "Average Difference" CB 108 1.547 0.152 1.546 18282 60 1 10 "Average Difference" HN 101 0.657 -0.007 0.660 18282 61 1 11 "Average Difference" N 100 3.096 -0.235 3.103 18282 62 1 11 "Average Difference" HA 107 0.314 0.060 0.310 18282 63 1 11 "Average Difference" C 89 1.240 0.142 1.239 18282 64 1 11 "Average Difference" CA 118 1.680 0.261 1.666 18282 65 1 11 "Average Difference" CB 108 1.579 0.265 1.564 18282 66 1 11 "Average Difference" HN 101 0.713 0.067 0.714 18282 67 1 12 "Average Difference" N 100 2.929 -0.287 2.930 18282 68 1 12 "Average Difference" HA 107 0.316 0.063 0.311 18282 69 1 12 "Average Difference" C 89 1.258 0.113 1.260 18282 70 1 12 "Average Difference" CA 118 1.792 0.257 1.782 18282 71 1 12 "Average Difference" CB 108 1.512 0.284 1.492 18282 72 1 12 "Average Difference" HN 101 0.687 0.052 0.688 18282 73 1 13 "Average Difference" N 100 3.002 -0.109 3.016 18282 74 1 13 "Average Difference" HA 107 0.324 0.048 0.322 18282 75 1 13 "Average Difference" C 89 1.240 0.175 1.234 18282 76 1 13 "Average Difference" CA 118 1.762 0.237 1.754 18282 77 1 13 "Average Difference" CB 108 1.536 0.208 1.529 18282 78 1 13 "Average Difference" HN 101 0.659 0.005 0.662 18282 79 1 14 "Average Difference" N 100 3.140 -0.432 3.126 18282 80 1 14 "Average Difference" HA 107 0.291 0.051 0.288 18282 81 1 14 "Average Difference" C 89 1.223 0.078 1.228 18282 82 1 14 "Average Difference" CA 118 1.664 0.198 1.659 18282 83 1 14 "Average Difference" CB 108 1.565 0.238 1.554 18282 84 1 14 "Average Difference" HN 101 0.672 0.037 0.675 18282 85 1 15 "Average Difference" N 100 2.943 -0.276 2.944 18282 86 1 15 "Average Difference" HA 107 0.283 0.049 0.280 18282 87 1 15 "Average Difference" C 89 1.270 0.166 1.266 18282 88 1 15 "Average Difference" CA 118 1.734 0.413 1.691 18282 89 1 15 "Average Difference" CB 108 1.553 0.239 1.542 18282 90 1 15 "Average Difference" HN 101 0.626 0.034 0.628 18282 91 1 16 "Average Difference" N 100 2.847 -0.242 2.851 18282 92 1 16 "Average Difference" HA 107 0.295 0.042 0.293 18282 93 1 16 "Average Difference" C 89 1.178 0.031 1.184 18282 94 1 16 "Average Difference" CA 118 1.644 0.154 1.643 18282 95 1 16 "Average Difference" CB 108 1.553 0.273 1.536 18282 96 1 16 "Average Difference" HN 101 0.679 0.060 0.680 18282 97 1 17 "Average Difference" N 100 3.006 0.149 3.018 18282 98 1 17 "Average Difference" HA 107 0.295 0.070 0.288 18282 99 1 17 "Average Difference" C 89 1.278 0.113 1.281 18282 100 1 17 "Average Difference" CA 118 1.624 0.242 1.613 18282 101 1 17 "Average Difference" CB 108 1.533 0.278 1.514 18282 102 1 17 "Average Difference" HN 101 0.647 0.054 0.648 18282 103 1 18 "Average Difference" N 100 2.989 -0.108 3.002 18282 104 1 18 "Average Difference" HA 107 0.315 0.042 0.314 18282 105 1 18 "Average Difference" C 89 1.283 0.145 1.282 18282 106 1 18 "Average Difference" CA 118 1.817 0.235 1.810 18282 107 1 18 "Average Difference" CB 108 1.550 0.230 1.540 18282 108 1 18 "Average Difference" HN 101 0.622 -0.022 0.625 18282 109 1 19 "Average Difference" N 100 2.863 -0.347 2.856 18282 110 1 19 "Average Difference" HA 107 0.346 0.051 0.344 18282 111 1 19 "Average Difference" C 89 1.250 0.130 1.250 18282 112 1 19 "Average Difference" CA 118 1.803 0.272 1.789 18282 113 1 19 "Average Difference" CB 108 1.541 0.233 1.531 18282 114 1 19 "Average Difference" HN 101 0.690 0.039 0.692 18282 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 18282 _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 GLN N N 3 122.228 122.228 120.314 1.914 18282 2 1 . 1 1 2 2 GLN HA H 3 3.896 3.896 4.057 -0.161 18282 3 1 . 1 1 2 2 GLN C C 3 178.672 178.672 177.932 0.740 18282 4 1 . 1 1 2 2 GLN CA C 3 58.794 58.794 58.183 0.611 18282 5 1 . 1 1 2 2 GLN H H 3 9.310 9.310 8.550 0.760 18282 6 1 . 1 1 3 3 GLU N N 4 119.529 119.529 119.971 -0.442 18282 7 1 . 1 1 3 3 GLU C C 4 175.504 175.504 178.614 -3.110 18282 8 1 . 1 1 3 3 GLU CA C 4 59.561 59.561 58.569 0.992 18282 9 1 . 1 1 3 3 GLU CB C 4 28.876 28.876 28.915 -0.039 18282 10 1 . 1 1 3 3 GLU H H 4 8.489 8.489 8.720 -0.231 18282 11 1 . 1 1 4 4 LEU N N 5 114.832 114.832 121.416 -6.584 18282 12 1 . 1 1 4 4 LEU HA H 5 3.716 3.716 4.004 -0.288 18282 13 1 . 1 1 4 4 LEU C C 5 178.276 178.276 178.016 0.260 18282 14 1 . 1 1 4 4 LEU CA C 5 57.813 57.813 57.829 -0.016 18282 15 1 . 1 1 4 4 LEU CB C 5 40.844 40.844 41.762 -0.918 18282 16 1 . 1 1 4 4 LEU H H 5 8.210 8.210 7.897 0.313 18282 17 1 . 1 1 5 5 SER N N 6 109.726 109.726 114.421 -4.695 18282 18 1 . 1 1 5 5 SER HA H 6 4.127 4.127 4.072 0.055 18282 19 1 . 1 1 5 5 SER C C 6 178.508 178.508 176.947 1.561 18282 20 1 . 1 1 5 5 SER CA C 6 60.401 60.401 61.716 -1.315 18282 21 1 . 1 1 5 5 SER CB C 6 63.535 63.535 62.654 0.881 18282 22 1 . 1 1 5 5 SER H H 6 8.247 8.247 8.097 0.150 18282 23 1 . 1 1 6 6 GLN N N 7 117.203 117.203 120.163 -2.960 18282 24 1 . 1 1 6 6 GLN HA H 7 4.026 4.026 4.077 -0.051 18282 25 1 . 1 1 6 6 GLN CA C 7 58.474 58.474 58.526 -0.052 18282 26 1 . 1 1 6 6 GLN H H 7 8.719 8.719 8.647 0.072 18282 27 1 . 1 1 7 7 HIS C C 8 178.622 178.622 177.480 1.142 18282 28 1 . 1 1 8 8 GLU N N 9 120.357 120.357 118.824 1.533 18282 29 1 . 1 1 8 8 GLU HA H 9 3.969 3.969 4.060 -0.091 18282 30 1 . 1 1 8 8 GLU C C 9 178.408 178.408 179.200 -0.792 18282 31 1 . 1 1 8 8 GLU CA C 9 58.244 58.244 59.634 -1.390 18282 32 1 . 1 1 8 8 GLU CB C 9 29.013 29.013 29.450 -0.437 18282 33 1 . 1 1 8 8 GLU H H 9 7.701 7.701 7.935 -0.234 18282 34 1 . 1 1 9 9 ARG N N 10 118.791 118.791 118.639 0.152 18282 35 1 . 1 1 9 9 ARG HA H 10 4.124 4.124 4.024 0.100 18282 36 1 . 1 1 9 9 ARG C C 10 178.599 178.599 178.562 0.037 18282 37 1 . 1 1 9 9 ARG CA C 10 58.633 58.633 59.047 -0.414 18282 38 1 . 1 1 9 9 ARG CB C 10 29.005 29.005 30.127 -1.122 18282 39 1 . 1 1 9 9 ARG H H 10 8.910 8.910 7.690 1.220 18282 40 1 . 1 1 10 10 TYR N N 11 121.239 121.239 121.174 0.065 18282 41 1 . 1 1 10 10 TYR HA H 11 4.186 4.186 4.087 0.099 18282 42 1 . 1 1 10 10 TYR C C 11 176.644 176.644 177.645 -1.001 18282 43 1 . 1 1 10 10 TYR CA C 11 61.311 61.311 61.602 -0.291 18282 44 1 . 1 1 10 10 TYR CB C 11 37.956 37.956 38.068 -0.112 18282 45 1 . 1 1 10 10 TYR H H 11 7.562 7.562 8.382 -0.820 18282 46 1 . 1 1 11 11 VAL N N 12 119.249 119.249 118.630 0.619 18282 47 1 . 1 1 11 11 VAL HA H 12 3.119 3.119 3.355 -0.236 18282 48 1 . 1 1 11 11 VAL C C 12 177.275 177.275 178.091 -0.816 18282 49 1 . 1 1 11 11 VAL CA C 12 66.925 66.925 66.278 0.647 18282 50 1 . 1 1 11 11 VAL CB C 12 30.981 30.981 31.482 -0.501 18282 51 1 . 1 1 11 11 VAL H H 12 8.087 8.087 7.458 0.629 18282 52 1 . 1 1 12 12 GLU N N 13 119.569 119.569 118.442 1.127 18282 53 1 . 1 1 12 12 GLU HA H 13 4.213 4.213 3.940 0.273 18282 54 1 . 1 1 12 12 GLU C C 13 175.207 175.207 178.798 -3.591 18282 55 1 . 1 1 12 12 GLU CA C 13 55.971 55.971 59.038 -3.067 18282 56 1 . 1 1 12 12 GLU CB C 13 28.439 28.439 29.507 -1.068 18282 57 1 . 1 1 12 12 GLU H H 13 8.312 8.312 7.542 0.770 18282 58 1 . 1 1 13 13 GLN N N 14 119.375 119.375 120.156 -0.781 18282 59 1 . 1 1 13 13 GLN HA H 14 3.657 3.657 4.036 -0.379 18282 60 1 . 1 1 13 13 GLN CA C 14 54.294 54.294 58.375 -4.081 18282 61 1 . 1 1 13 13 GLN CB C 14 29.681 29.681 28.325 1.356 18282 62 1 . 1 1 13 13 GLN H H 14 7.690 7.690 8.703 -1.013 18282 63 1 . 1 1 14 14 LEU HA H 15 3.865 3.865 3.804 0.061 18282 64 1 . 1 1 14 14 LEU CA C 15 58.177 58.177 57.371 0.806 18282 65 1 . 1 1 14 14 LEU CB C 15 40.693 40.693 40.914 -0.221 18282 66 1 . 1 1 15 15 LYS HA H 16 3.737 3.737 3.831 -0.094 18282 67 1 . 1 1 15 15 LYS C C 16 177.817 177.817 179.358 -1.541 18282 68 1 . 1 1 15 15 LYS CA C 16 60.352 60.352 59.446 0.906 18282 69 1 . 1 1 15 15 LYS CB C 16 32.106 32.106 31.984 0.122 18282 70 1 . 1 1 16 16 GLN N N 17 117.498 117.498 118.524 -1.026 18282 71 1 . 1 1 16 16 GLN HA H 17 3.864 3.864 3.987 -0.123 18282 72 1 . 1 1 16 16 GLN CA C 17 58.307 58.307 58.466 -0.159 18282 73 1 . 1 1 16 16 GLN CB C 17 27.788 27.788 28.530 -0.742 18282 74 1 . 1 1 16 16 GLN H H 17 7.862 7.862 7.747 0.115 18282 75 1 . 1 1 17 17 ALA HA H 18 3.793 3.793 3.993 -0.200 18282 76 1 . 1 1 17 17 ALA C C 18 179.147 179.147 179.439 -0.292 18282 77 1 . 1 1 17 17 ALA CA C 18 54.792 54.792 54.733 0.059 18282 78 1 . 1 1 17 17 ALA CB C 18 17.693 17.693 18.192 -0.499 18282 79 1 . 1 1 18 18 LEU N N 19 117.278 117.278 117.711 -0.433 18282 80 1 . 1 1 18 18 LEU HA H 19 3.784 3.784 3.874 -0.090 18282 81 1 . 1 1 18 18 LEU C C 19 174.935 174.935 178.682 -3.747 18282 82 1 . 1 1 18 18 LEU CA C 19 57.731 57.731 56.811 0.920 18282 83 1 . 1 1 18 18 LEU CB C 19 40.703 40.703 41.604 -0.901 18282 84 1 . 1 1 18 18 LEU H H 19 8.168 8.168 7.504 0.664 18282 85 1 . 1 1 19 19 LYS N N 20 118.025 118.025 120.171 -2.146 18282 86 1 . 1 1 19 19 LYS C C 20 177.982 177.982 179.208 -1.226 18282 87 1 . 1 1 19 19 LYS CA C 20 60.439 60.439 59.351 1.088 18282 88 1 . 1 1 19 19 LYS H H 20 8.345 8.345 7.613 0.732 18282 89 1 . 1 1 20 20 THR N N 21 116.345 116.345 112.550 3.795 18282 90 1 . 1 1 20 20 THR HA H 21 4.126 4.126 4.117 0.009 18282 91 1 . 1 1 20 20 THR C C 21 175.469 175.469 175.926 -0.457 18282 92 1 . 1 1 20 20 THR CA C 21 64.643 64.643 64.313 0.330 18282 93 1 . 1 1 20 20 THR CB C 21 68.652 68.652 68.735 -0.083 18282 94 1 . 1 1 20 20 THR H H 21 7.896 7.896 7.614 0.282 18282 95 1 . 1 1 21 21 ARG N N 22 118.792 118.792 119.617 -0.825 18282 96 1 . 1 1 21 21 ARG HA H 22 4.375 4.375 4.246 0.129 18282 97 1 . 1 1 21 21 ARG C C 22 176.364 176.364 176.846 -0.482 18282 98 1 . 1 1 21 21 ARG CA C 22 54.157 54.157 55.320 -1.163 18282 99 1 . 1 1 21 21 ARG CB C 22 29.453 29.453 29.523 -0.070 18282 100 1 . 1 1 21 21 ARG H H 22 7.317 7.317 7.802 -0.485 18282 101 1 . 1 1 22 22 GLY N N 23 108.428 108.428 106.598 1.830 18282 102 1 . 1 1 22 22 GLY C C 23 174.154 174.154 174.069 0.085 18282 103 1 . 1 1 22 22 GLY CA C 23 45.953 45.953 45.130 0.823 18282 104 1 . 1 1 22 22 GLY H H 23 7.881 7.881 7.714 0.167 18282 105 1 . 1 1 23 23 VAL N N 24 117.319 117.319 118.599 -1.280 18282 106 1 . 1 1 23 23 VAL HA H 24 4.036 4.036 4.229 -0.193 18282 107 1 . 1 1 23 23 VAL C C 24 175.601 175.601 175.188 0.413 18282 108 1 . 1 1 23 23 VAL CA C 24 61.635 61.635 60.583 1.052 18282 109 1 . 1 1 23 23 VAL CB C 24 32.589 32.589 33.675 -1.087 18282 110 1 . 1 1 23 23 VAL H H 24 7.431 7.431 7.270 0.161 18282 111 1 . 1 1 24 24 LYS N N 25 127.424 127.424 122.972 4.452 18282 112 1 . 1 1 24 24 LYS HA H 25 4.336 4.336 4.641 -0.305 18282 113 1 . 1 1 24 24 LYS C C 25 175.550 175.550 174.952 0.598 18282 114 1 . 1 1 24 24 LYS CA C 25 55.811 55.811 55.452 0.359 18282 115 1 . 1 1 24 24 LYS CB C 25 32.269 32.269 33.938 -1.669 18282 116 1 . 1 1 24 24 LYS H H 25 8.665 8.665 8.385 0.280 18282 117 1 . 1 1 25 25 VAL N N 26 120.764 120.764 119.920 0.844 18282 118 1 . 1 1 25 25 VAL HA H 26 4.140 4.140 4.446 -0.306 18282 119 1 . 1 1 25 25 VAL C C 26 174.206 174.206 175.006 -0.800 18282 120 1 . 1 1 25 25 VAL CA C 26 60.316 60.316 60.702 -0.385 18282 121 1 . 1 1 25 25 VAL CB C 26 33.920 33.920 32.813 1.107 18282 122 1 . 1 1 25 25 VAL H H 26 7.545 7.545 8.301 -0.756 18282 123 1 . 1 1 26 26 LYS N N 27 125.707 125.707 124.949 0.758 18282 124 1 . 1 1 26 26 LYS HA H 27 4.115 4.115 4.479 -0.364 18282 125 1 . 1 1 26 26 LYS CA C 27 55.211 55.211 54.605 0.606 18282 126 1 . 1 1 26 26 LYS CB C 27 31.930 31.930 34.750 -2.820 18282 127 1 . 1 1 26 26 LYS H H 27 8.608 8.608 8.183 0.425 18282 128 1 . 1 1 27 27 TYR CA C 28 56.418 56.418 61.866 -5.448 18282 129 1 . 1 1 27 27 TYR CB C 28 37.036 37.036 37.255 -0.220 18282 130 1 . 1 1 28 28 ALA N N 29 120.712 120.712 120.840 -0.128 18282 131 1 . 1 1 28 28 ALA HA H 29 3.712 3.712 4.015 -0.303 18282 132 1 . 1 1 28 28 ALA C C 29 180.210 180.210 179.624 0.586 18282 133 1 . 1 1 28 28 ALA CA C 29 54.911 54.911 54.628 0.282 18282 134 1 . 1 1 28 28 ALA CB C 29 18.034 18.034 17.494 0.540 18282 135 1 . 1 1 28 28 ALA H H 29 8.326 8.326 8.405 -0.079 18282 136 1 . 1 1 29 29 ASP N N 30 117.166 117.166 119.456 -2.290 18282 137 1 . 1 1 29 29 ASP HA H 30 4.379 4.379 4.388 -0.009 18282 138 1 . 1 1 29 29 ASP C C 30 178.427 178.427 178.470 -0.043 18282 139 1 . 1 1 29 29 ASP CA C 30 56.459 56.459 57.482 -1.023 18282 140 1 . 1 1 29 29 ASP CB C 30 39.962 39.962 40.449 -0.487 18282 141 1 . 1 1 29 29 ASP H H 30 6.913 6.913 8.578 -1.665 18282 142 1 . 1 1 30 30 LEU N N 31 123.105 123.105 120.167 2.938 18282 143 1 . 1 1 30 30 LEU HA H 31 3.491 3.491 4.219 -0.728 18282 144 1 . 1 1 30 30 LEU CA C 31 56.841 56.841 58.106 -1.265 18282 145 1 . 1 1 30 30 LEU CB C 31 40.888 40.888 42.053 -1.165 18282 146 1 . 1 1 30 30 LEU H H 31 7.543 7.543 7.609 -0.066 18282 147 1 . 1 1 31 31 LEU HA H 32 3.611 3.611 3.936 -0.325 18282 148 1 . 1 1 31 31 LEU C C 32 179.120 179.120 179.435 -0.315 18282 149 1 . 1 1 31 31 LEU CA C 32 58.103 58.103 58.095 0.008 18282 150 1 . 1 1 31 31 LEU CB C 32 40.594 40.594 41.178 -0.584 18282 151 1 . 1 1 32 32 LYS N N 33 118.074 118.074 118.867 -0.793 18282 152 1 . 1 1 32 32 LYS HA H 33 4.202 4.202 4.133 0.069 18282 153 1 . 1 1 32 32 LYS C C 33 180.044 180.044 178.782 1.262 18282 154 1 . 1 1 32 32 LYS CA C 33 59.081 59.081 59.029 0.052 18282 155 1 . 1 1 32 32 LYS CB C 33 31.735 31.735 32.674 -0.939 18282 156 1 . 1 1 32 32 LYS H H 33 7.189 7.189 7.921 -0.732 18282 157 1 . 1 1 33 33 PHE N N 34 122.977 122.977 120.536 2.441 18282 158 1 . 1 1 33 33 PHE CA C 34 60.402 60.402 61.816 -1.414 18282 159 1 . 1 1 33 33 PHE H H 34 7.768 7.768 8.777 -1.009 18282 160 1 . 1 1 34 34 PHE HA H 35 3.800 3.800 4.081 -0.281 18282 161 1 . 1 1 34 34 PHE C C 35 176.355 176.355 177.183 -0.828 18282 162 1 . 1 1 34 34 PHE CA C 35 61.813 61.813 62.009 -0.196 18282 163 1 . 1 1 34 34 PHE CB C 35 37.164 37.164 39.068 -1.904 18282 164 1 . 1 1 35 35 ASP N N 36 119.969 119.969 119.697 0.272 18282 165 1 . 1 1 35 35 ASP C C 36 177.087 177.087 178.856 -1.769 18282 166 1 . 1 1 35 35 ASP CA C 36 58.278 58.278 57.195 1.083 18282 167 1 . 1 1 35 35 ASP CB C 36 39.578 39.578 40.413 -0.835 18282 168 1 . 1 1 35 35 ASP H H 36 8.338 8.338 7.964 0.374 18282 169 1 . 1 1 36 36 PHE N N 37 122.901 122.901 120.049 2.852 18282 170 1 . 1 1 36 36 PHE C C 37 178.788 178.788 177.546 1.242 18282 171 1 . 1 1 36 36 PHE CA C 37 61.416 61.416 60.600 0.816 18282 172 1 . 1 1 36 36 PHE CB C 37 38.369 38.369 38.848 -0.479 18282 173 1 . 1 1 36 36 PHE H H 37 7.860 7.860 8.244 -0.384 18282 174 1 . 1 1 37 37 VAL N N 38 122.329 122.329 114.500 7.829 18282 175 1 . 1 1 37 37 VAL HA H 38 3.100 3.100 3.575 -0.475 18282 176 1 . 1 1 37 37 VAL C C 38 176.147 176.147 177.686 -1.539 18282 177 1 . 1 1 37 37 VAL CA C 38 67.153 67.153 65.299 1.854 18282 178 1 . 1 1 37 37 VAL CB C 38 30.625 30.625 31.553 -0.928 18282 179 1 . 1 1 37 37 VAL H H 38 8.451 8.451 7.827 0.624 18282 180 1 . 1 1 38 38 LYS N N 39 118.837 118.837 119.846 -1.009 18282 181 1 . 1 1 38 38 LYS HA H 39 3.473 3.473 3.882 -0.409 18282 182 1 . 1 1 38 38 LYS C C 39 176.361 176.361 178.093 -1.732 18282 183 1 . 1 1 38 38 LYS CA C 39 59.519 59.519 59.224 0.295 18282 184 1 . 1 1 38 38 LYS CB C 39 31.628 31.628 32.045 -0.417 18282 185 1 . 1 1 38 38 LYS H H 39 7.581 7.581 7.877 -0.296 18282 186 1 . 1 1 39 39 ASP N N 40 116.210 116.210 118.217 -2.007 18282 187 1 . 1 1 39 39 ASP HA H 40 4.261 4.261 4.455 -0.194 18282 188 1 . 1 1 39 39 ASP CA C 40 56.580 56.580 56.651 -0.071 18282 189 1 . 1 1 39 39 ASP CB C 40 40.977 40.977 40.901 0.076 18282 190 1 . 1 1 39 39 ASP H H 40 8.052 8.052 7.895 0.157 18282 191 1 . 1 1 40 40 THR N N 41 109.215 109.215 108.313 0.902 18282 192 1 . 1 1 40 40 THR C C 41 174.559 174.559 174.826 -0.267 18282 193 1 . 1 1 40 40 THR H H 41 7.232 7.232 7.762 -0.530 18282 194 1 . 1 1 41 41 CYS N N 42 117.927 117.927 120.587 -2.660 18282 195 1 . 1 1 41 41 CYS CA C 42 55.865 55.865 58.722 -2.857 18282 196 1 . 1 1 41 41 CYS CB C 42 28.500 28.500 25.679 2.821 18282 197 1 . 1 1 41 41 CYS H H 42 7.197 7.197 8.444 -1.247 18282 198 1 . 1 1 42 42 PRO HA H 43 3.987 3.987 4.183 -0.196 18282 199 1 . 1 1 42 42 PRO C C 43 176.688 176.688 176.853 -0.165 18282 200 1 . 1 1 42 42 PRO CA C 43 65.206 65.206 64.311 0.895 18282 201 1 . 1 1 42 42 PRO CB C 43 30.767 30.767 31.936 -1.169 18282 202 1 . 1 1 43 43 TRP N N 44 113.805 113.805 117.346 -3.541 18282 203 1 . 1 1 43 43 TRP HA H 44 4.361 4.361 4.634 -0.273 18282 204 1 . 1 1 43 43 TRP C C 44 176.982 176.982 175.634 1.348 18282 205 1 . 1 1 43 43 TRP CA C 44 61.758 61.758 57.503 4.255 18282 206 1 . 1 1 43 43 TRP CB C 44 27.771 27.771 28.792 -1.021 18282 207 1 . 1 1 43 43 TRP H H 44 6.632 6.632 7.913 -1.281 18282 208 1 . 1 1 44 44 PHE N N 45 123.019 123.019 116.135 6.884 18282 209 1 . 1 1 44 44 PHE HA H 45 4.043 4.043 4.152 -0.109 18282 210 1 . 1 1 44 44 PHE CA C 45 62.990 62.990 57.897 5.093 18282 211 1 . 1 1 44 44 PHE CB C 45 35.109 35.109 36.858 -1.749 18282 212 1 . 1 1 44 44 PHE H H 45 7.302 7.302 7.338 -0.036 18282 213 1 . 1 1 45 45 PRO HA H 46 4.015 4.015 4.147 -0.132 18282 214 1 . 1 1 45 45 PRO C C 46 176.462 176.462 177.010 -0.548 18282 215 1 . 1 1 45 45 PRO CA C 46 64.582 64.582 64.243 0.339 18282 216 1 . 1 1 45 45 PRO CB C 46 30.254 30.254 31.432 -1.178 18282 217 1 . 1 1 46 46 GLN N N 47 114.404 114.404 117.598 -3.194 18282 218 1 . 1 1 46 46 GLN HA H 47 3.941 3.941 3.943 -0.002 18282 219 1 . 1 1 46 46 GLN C C 47 177.234 177.234 176.927 0.307 18282 220 1 . 1 1 46 46 GLN CA C 47 58.328 58.328 58.287 0.041 18282 221 1 . 1 1 46 46 GLN CB C 47 28.471 28.471 28.083 0.388 18282 222 1 . 1 1 46 46 GLN H H 47 6.544 6.544 8.109 -1.565 18282 223 1 . 1 1 47 47 GLU N N 48 117.356 117.356 116.863 0.493 18282 224 1 . 1 1 47 47 GLU HA H 48 4.085 4.085 4.262 -0.177 18282 225 1 . 1 1 47 47 GLU C C 48 179.130 179.130 176.758 2.372 18282 226 1 . 1 1 47 47 GLU CA C 48 58.215 58.215 56.291 1.924 18282 227 1 . 1 1 47 47 GLU CB C 48 29.247 29.247 30.965 -1.718 18282 228 1 . 1 1 47 47 GLU H H 48 7.710 7.710 7.628 0.082 18282 229 1 . 1 1 48 48 GLY N N 49 105.456 105.456 108.399 -2.943 18282 230 1 . 1 1 48 48 GLY C C 49 171.006 171.006 173.699 -2.693 18282 231 1 . 1 1 48 48 GLY CA C 49 47.085 47.085 45.441 1.644 18282 232 1 . 1 1 48 48 GLY H H 49 7.296 7.296 7.747 -0.451 18282 233 1 . 1 1 49 49 THR N N 50 114.015 114.015 114.112 -0.097 18282 234 1 . 1 1 49 49 THR HA H 50 4.248 4.248 4.706 -0.458 18282 235 1 . 1 1 49 49 THR CA C 50 61.830 61.830 59.812 2.018 18282 236 1 . 1 1 49 49 THR CB C 50 70.692 70.692 71.343 -0.651 18282 237 1 . 1 1 49 49 THR H H 50 7.599 7.599 7.606 -0.007 18282 238 1 . 1 1 50 50 ILE HA H 51 4.135 4.135 4.433 -0.298 18282 239 1 . 1 1 50 50 ILE C C 51 172.608 172.608 174.718 -2.110 18282 240 1 . 1 1 50 50 ILE CA C 51 59.075 59.075 60.998 -1.923 18282 241 1 . 1 1 50 50 ILE CB C 51 35.416 35.416 39.275 -3.859 18282 242 1 . 1 1 51 51 ASP N N 52 121.859 121.859 126.222 -4.363 18282 243 1 . 1 1 51 51 ASP HA H 52 4.625 4.625 4.868 -0.243 18282 244 1 . 1 1 51 51 ASP C C 52 175.770 175.770 175.540 0.230 18282 245 1 . 1 1 51 51 ASP CA C 52 51.634 51.634 53.079 -1.445 18282 246 1 . 1 1 51 51 ASP CB C 52 42.528 42.528 42.226 0.302 18282 247 1 . 1 1 51 51 ASP H H 52 7.176 7.176 8.739 -1.563 18282 248 1 . 1 1 52 52 ILE N N 53 119.549 119.549 123.082 -3.533 18282 249 1 . 1 1 52 52 ILE HA H 53 4.150 4.150 4.234 -0.084 18282 250 1 . 1 1 52 52 ILE C C 53 176.961 176.961 177.319 -0.358 18282 251 1 . 1 1 52 52 ILE CA C 53 61.899 61.899 62.573 -0.674 18282 252 1 . 1 1 52 52 ILE CB C 53 37.700 37.700 38.714 -1.014 18282 253 1 . 1 1 52 52 ILE H H 53 8.777 8.777 8.692 0.085 18282 254 1 . 1 1 53 53 LYS N N 54 123.515 123.515 120.935 2.580 18282 255 1 . 1 1 53 53 LYS HA H 54 4.116 4.116 4.137 -0.021 18282 256 1 . 1 1 53 53 LYS C C 54 180.448 180.448 178.811 1.637 18282 257 1 . 1 1 53 53 LYS CA C 54 59.934 59.934 59.630 0.304 18282 258 1 . 1 1 53 53 LYS CB C 54 31.875 31.875 32.092 -0.218 18282 259 1 . 1 1 53 53 LYS H H 54 8.106 8.106 8.324 -0.218 18282 260 1 . 1 1 54 54 ARG N N 55 120.371 120.371 119.558 0.813 18282 261 1 . 1 1 54 54 ARG HA H 55 4.422 4.422 4.025 0.397 18282 262 1 . 1 1 54 54 ARG C C 55 179.159 179.159 178.126 1.033 18282 263 1 . 1 1 54 54 ARG CA C 55 59.726 59.726 59.081 0.645 18282 264 1 . 1 1 54 54 ARG CB C 55 37.368 37.368 29.734 7.634 18282 265 1 . 1 1 54 54 ARG H H 55 9.183 9.183 8.589 0.594 18282 266 1 . 1 1 55 55 TRP N N 56 120.755 120.755 120.277 0.478 18282 267 1 . 1 1 55 55 TRP HA H 56 4.747 4.747 3.975 0.772 18282 268 1 . 1 1 55 55 TRP C C 56 179.954 179.954 177.231 2.723 18282 269 1 . 1 1 55 55 TRP CA C 56 60.105 60.105 59.706 0.399 18282 270 1 . 1 1 55 55 TRP CB C 56 29.997 29.997 29.041 0.956 18282 271 1 . 1 1 55 55 TRP H H 56 8.927 8.927 8.089 0.838 18282 272 1 . 1 1 56 56 ARG N N 57 122.194 122.194 118.750 3.444 18282 273 1 . 1 1 56 56 ARG HA H 57 4.406 4.406 3.446 0.960 18282 274 1 . 1 1 56 56 ARG C C 57 178.101 178.101 178.461 -0.360 18282 275 1 . 1 1 56 56 ARG CA C 57 60.198 60.198 59.486 0.712 18282 276 1 . 1 1 56 56 ARG CB C 57 29.585 29.585 29.691 -0.106 18282 277 1 . 1 1 56 56 ARG H H 57 9.220 9.220 7.446 1.774 18282 278 1 . 1 1 57 57 ARG N N 58 120.674 120.674 119.527 1.147 18282 279 1 . 1 1 57 57 ARG HA H 58 4.186 4.186 3.944 0.242 18282 280 1 . 1 1 57 57 ARG C C 58 179.445 179.445 178.471 0.974 18282 281 1 . 1 1 57 57 ARG CA C 58 59.832 59.832 59.580 0.252 18282 282 1 . 1 1 57 57 ARG CB C 58 29.753 29.753 29.949 -0.195 18282 283 1 . 1 1 57 57 ARG H H 58 7.605 7.605 7.385 0.220 18282 284 1 . 1 1 58 58 VAL N N 59 121.833 121.833 118.717 3.116 18282 285 1 . 1 1 58 58 VAL HA H 59 3.675 3.675 3.826 -0.151 18282 286 1 . 1 1 58 58 VAL C C 59 176.565 176.565 177.341 -0.776 18282 287 1 . 1 1 58 58 VAL CA C 59 65.920 65.920 65.494 0.426 18282 288 1 . 1 1 58 58 VAL CB C 59 30.785 30.785 31.390 -0.605 18282 289 1 . 1 1 58 58 VAL H H 59 7.819 7.819 7.498 0.321 18282 290 1 . 1 1 59 59 GLY N N 60 106.521 106.521 107.329 -0.808 18282 291 1 . 1 1 59 59 GLY C C 60 175.923 175.923 175.617 0.306 18282 292 1 . 1 1 59 59 GLY CA C 60 45.982 45.982 47.037 -1.055 18282 293 1 . 1 1 59 59 GLY H H 60 7.540 7.540 7.943 -0.403 18282 294 1 . 1 1 60 60 ASP N N 61 123.066 123.066 122.958 0.108 18282 295 1 . 1 1 60 60 ASP HA H 61 4.261 4.261 4.486 -0.225 18282 296 1 . 1 1 60 60 ASP C C 61 178.537 178.537 178.573 -0.036 18282 297 1 . 1 1 60 60 ASP CA C 61 56.907 56.907 56.842 0.065 18282 298 1 . 1 1 60 60 ASP CB C 61 39.654 39.654 40.376 -0.722 18282 299 1 . 1 1 60 60 ASP H H 61 8.197 8.197 8.343 -0.146 18282 300 1 . 1 1 61 61 CYS N N 62 121.005 121.005 119.052 1.953 18282 301 1 . 1 1 61 61 CYS C C 62 177.083 177.083 177.068 0.015 18282 302 1 . 1 1 61 61 CYS CA C 62 62.380 62.380 63.954 -1.574 18282 303 1 . 1 1 61 61 CYS CB C 62 26.011 26.011 27.100 -1.088 18282 304 1 . 1 1 61 61 CYS H H 62 7.858 7.858 7.750 0.108 18282 305 1 . 1 1 62 62 PHE N N 63 119.362 119.362 119.034 0.328 18282 306 1 . 1 1 62 62 PHE HA H 63 4.117 4.117 4.260 -0.143 18282 307 1 . 1 1 62 62 PHE C C 63 178.081 178.081 178.096 -0.015 18282 308 1 . 1 1 62 62 PHE CA C 63 57.843 57.843 62.178 -4.335 18282 309 1 . 1 1 62 62 PHE CB C 63 36.605 36.605 38.498 -1.893 18282 310 1 . 1 1 62 62 PHE H H 63 8.530 8.530 8.230 0.300 18282 311 1 . 1 1 63 63 GLN N N 64 118.829 118.829 119.975 -1.146 18282 312 1 . 1 1 63 63 GLN HA H 64 4.199 4.199 4.089 0.110 18282 313 1 . 1 1 63 63 GLN C C 64 177.645 177.645 177.996 -0.351 18282 314 1 . 1 1 63 63 GLN CA C 64 59.094 59.094 59.386 -0.292 18282 315 1 . 1 1 63 63 GLN CB C 64 28.337 28.337 28.445 -0.108 18282 316 1 . 1 1 63 63 GLN H H 64 8.236 8.236 8.540 -0.304 18282 317 1 . 1 1 64 64 ASP N N 65 120.234 120.234 120.459 -0.225 18282 318 1 . 1 1 64 64 ASP HA H 65 4.481 4.481 4.336 0.145 18282 319 1 . 1 1 64 64 ASP CA C 65 57.301 57.301 57.069 0.232 18282 320 1 . 1 1 64 64 ASP CB C 65 40.773 40.773 40.449 0.324 18282 321 1 . 1 1 64 64 ASP H H 65 8.257 8.257 8.013 0.244 18282 322 1 . 1 1 65 65 TYR HA H 66 4.598 4.598 4.261 0.337 18282 323 1 . 1 1 65 65 TYR C C 66 178.524 178.524 178.392 0.132 18282 324 1 . 1 1 65 65 TYR CA C 66 60.355 60.355 61.316 -0.961 18282 325 1 . 1 1 65 65 TYR CB C 66 37.796 37.796 38.376 -0.580 18282 326 1 . 1 1 66 66 TYR N N 67 122.741 122.741 120.311 2.430 18282 327 1 . 1 1 66 66 TYR HA H 67 4.044 4.044 4.226 -0.182 18282 328 1 . 1 1 66 66 TYR C C 67 178.220 178.220 177.637 0.583 18282 329 1 . 1 1 66 66 TYR CA C 67 61.726 61.726 61.857 -0.131 18282 330 1 . 1 1 66 66 TYR CB C 67 38.932 38.932 38.665 0.267 18282 331 1 . 1 1 66 66 TYR H H 67 9.083 9.083 8.756 0.327 18282 332 1 . 1 1 67 67 ASN N N 68 118.530 118.530 116.522 2.008 18282 333 1 . 1 1 67 67 ASN HA H 68 4.378 4.378 4.478 -0.100 18282 334 1 . 1 1 67 67 ASN C C 68 176.633 176.633 177.578 -0.945 18282 335 1 . 1 1 67 67 ASN CA C 68 55.293 55.293 55.835 -0.542 18282 336 1 . 1 1 67 67 ASN CB C 68 37.860 37.860 38.267 -0.407 18282 337 1 . 1 1 67 67 ASN H H 68 8.796 8.796 8.429 0.367 18282 338 1 . 1 1 68 68 THR N N 69 114.328 114.328 112.448 1.880 18282 339 1 . 1 1 68 68 THR HA H 69 3.872 3.872 4.031 -0.159 18282 340 1 . 1 1 68 68 THR C C 69 174.832 174.832 175.559 -0.727 18282 341 1 . 1 1 68 68 THR CA C 69 65.224 65.224 64.760 0.464 18282 342 1 . 1 1 68 68 THR CB C 69 69.484 69.484 68.468 1.016 18282 343 1 . 1 1 68 68 THR H H 69 7.960 7.960 7.627 0.333 18282 344 1 . 1 1 69 69 PHE N N 70 118.107 118.107 120.725 -2.618 18282 345 1 . 1 1 69 69 PHE HA H 70 4.626 4.626 4.490 0.136 18282 346 1 . 1 1 69 69 PHE C C 70 176.495 176.495 175.970 0.525 18282 347 1 . 1 1 69 69 PHE CA C 70 58.409 58.409 58.567 -0.158 18282 348 1 . 1 1 69 69 PHE CB C 70 40.742 40.742 39.546 1.196 18282 349 1 . 1 1 69 69 PHE H H 70 8.591 8.591 7.690 0.901 18282 350 1 . 1 1 70 70 GLY N N 71 109.309 109.309 107.327 1.982 18282 351 1 . 1 1 70 70 GLY CA C 71 44.684 44.684 44.797 -0.113 18282 352 1 . 1 1 70 70 GLY H H 71 7.893 7.893 7.646 0.247 18282 353 1 . 1 1 71 71 PRO HA H 72 4.691 4.691 4.551 0.140 18282 354 1 . 1 1 71 71 PRO C C 72 177.772 177.772 176.697 1.075 18282 355 1 . 1 1 71 71 PRO CA C 72 63.458 63.458 62.742 0.716 18282 356 1 . 1 1 71 71 PRO CB C 72 31.823 31.823 32.247 -0.424 18282 357 1 . 1 1 72 72 GLU N N 73 117.421 117.421 123.713 -6.292 18282 358 1 . 1 1 72 72 GLU HA H 73 4.061 4.061 4.153 -0.092 18282 359 1 . 1 1 72 72 GLU C C 73 177.236 177.236 177.313 -0.077 18282 360 1 . 1 1 72 72 GLU CA C 73 58.570 58.570 58.372 0.198 18282 361 1 . 1 1 72 72 GLU CB C 73 28.853 28.853 29.766 -0.913 18282 362 1 . 1 1 72 72 GLU H H 73 8.595 8.595 8.732 -0.137 18282 363 1 . 1 1 73 73 LYS N N 74 116.846 116.846 118.353 -1.507 18282 364 1 . 1 1 73 73 LYS HA H 74 4.381 4.381 4.294 0.087 18282 365 1 . 1 1 73 73 LYS C C 74 175.662 175.662 175.962 -0.300 18282 366 1 . 1 1 73 73 LYS CA C 74 55.263 55.263 56.447 -1.184 18282 367 1 . 1 1 73 73 LYS CB C 74 33.891 33.891 32.551 1.340 18282 368 1 . 1 1 73 73 LYS H H 74 7.493 7.493 8.150 -0.657 18282 369 1 . 1 1 74 74 VAL N N 75 118.056 118.056 119.816 -1.760 18282 370 1 . 1 1 74 74 VAL HA H 75 4.423 4.423 4.023 0.400 18282 371 1 . 1 1 74 74 VAL CA C 75 58.438 58.438 62.215 -3.777 18282 372 1 . 1 1 74 74 VAL CB C 75 33.763 33.763 31.228 2.535 18282 373 1 . 1 1 74 74 VAL H H 75 7.342 7.342 7.990 -0.648 18282 374 1 . 1 1 75 75 PRO HA H 76 4.585 4.585 4.475 0.110 18282 375 1 . 1 1 75 75 PRO C C 76 178.543 178.543 177.554 0.989 18282 376 1 . 1 1 75 75 PRO CA C 76 61.911 61.911 63.074 -1.163 18282 377 1 . 1 1 75 75 PRO CB C 76 32.035 32.035 32.381 -0.346 18282 378 1 . 1 1 76 76 VAL N N 77 119.825 119.825 125.500 -5.675 18282 379 1 . 1 1 76 76 VAL HA H 77 3.921 3.921 3.915 0.006 18282 380 1 . 1 1 76 76 VAL CA C 77 65.316 65.316 64.535 0.781 18282 381 1 . 1 1 76 76 VAL CB C 77 31.316 31.316 31.359 -0.043 18282 382 1 . 1 1 76 76 VAL H H 77 8.604 8.604 8.503 0.101 18282 383 1 . 1 1 77 77 THR N N 78 109.390 109.390 112.966 -3.576 18282 384 1 . 1 1 77 77 THR HA H 78 3.914 3.914 4.088 -0.174 18282 385 1 . 1 1 77 77 THR C C 78 175.732 175.732 176.019 -0.287 18282 386 1 . 1 1 77 77 THR CA C 78 62.803 62.803 65.541 -2.738 18282 387 1 . 1 1 77 77 THR CB C 78 68.357 68.357 68.169 0.188 18282 388 1 . 1 1 77 77 THR H H 78 7.380 7.380 8.338 -0.958 18282 389 1 . 1 1 78 78 ALA N N 79 123.661 123.661 124.045 -0.384 18282 390 1 . 1 1 78 78 ALA HA H 79 4.001 4.001 4.246 -0.245 18282 391 1 . 1 1 78 78 ALA C C 79 179.527 179.527 179.497 0.030 18282 392 1 . 1 1 78 78 ALA CA C 79 55.091 55.091 54.816 0.275 18282 393 1 . 1 1 78 78 ALA CB C 79 17.561 17.561 18.322 -0.761 18282 394 1 . 1 1 78 78 ALA H H 79 7.811 7.811 7.566 0.245 18282 395 1 . 1 1 79 79 PHE N N 80 114.258 114.258 118.469 -4.211 18282 396 1 . 1 1 79 79 PHE HA H 80 4.452 4.452 4.221 0.231 18282 397 1 . 1 1 79 79 PHE C C 80 178.586 178.586 177.602 0.984 18282 398 1 . 1 1 79 79 PHE CA C 80 61.656 61.656 60.328 1.328 18282 399 1 . 1 1 79 79 PHE CB C 80 37.694 37.694 38.771 -1.077 18282 400 1 . 1 1 79 79 PHE H H 80 7.306 7.306 9.035 -1.729 18282 401 1 . 1 1 80 80 SER N N 81 116.865 116.865 116.008 0.857 18282 402 1 . 1 1 80 80 SER CA C 81 61.824 61.824 62.158 -0.334 18282 403 1 . 1 1 80 80 SER H H 81 7.733 7.733 7.880 -0.147 18282 404 1 . 1 1 81 81 TYR N N 82 121.932 121.932 122.097 -0.165 18282 405 1 . 1 1 81 81 TYR HA H 82 4.133 4.133 4.159 -0.026 18282 406 1 . 1 1 81 81 TYR C C 82 177.701 177.701 177.683 0.018 18282 407 1 . 1 1 81 81 TYR CA C 82 60.027 60.027 62.044 -2.017 18282 408 1 . 1 1 81 81 TYR CB C 82 34.104 34.104 38.188 -4.084 18282 409 1 . 1 1 81 81 TYR H H 82 8.151 8.151 7.688 0.463 18282 410 1 . 1 1 82 82 TRP N N 83 120.817 120.817 119.602 1.215 18282 411 1 . 1 1 82 82 TRP HA H 83 4.436 4.436 4.300 0.136 18282 412 1 . 1 1 82 82 TRP CA C 83 63.975 63.975 60.656 3.319 18282 413 1 . 1 1 82 82 TRP CB C 83 28.557 28.557 29.113 -0.556 18282 414 1 . 1 1 82 82 TRP H H 83 8.645 8.645 8.094 0.551 18282 415 1 . 1 1 83 83 ASN HA H 84 4.230 4.230 4.054 0.176 18282 416 1 . 1 1 83 83 ASN C C 84 176.140 176.140 177.668 -1.528 18282 417 1 . 1 1 83 83 ASN CA C 84 56.683 56.683 56.144 0.539 18282 418 1 . 1 1 83 83 ASN CB C 84 39.116 39.116 37.788 1.329 18282 419 1 . 1 1 84 84 LEU N N 85 121.884 121.884 121.936 -0.052 18282 420 1 . 1 1 84 84 LEU HA H 85 4.054 4.054 4.097 -0.043 18282 421 1 . 1 1 84 84 LEU C C 85 178.369 178.369 178.325 0.044 18282 422 1 . 1 1 84 84 LEU CA C 85 58.228 58.228 57.798 0.430 18282 423 1 . 1 1 84 84 LEU CB C 85 41.576 41.576 41.891 -0.315 18282 424 1 . 1 1 84 84 LEU H H 85 7.751 7.751 7.863 -0.112 18282 425 1 . 1 1 85 85 ILE N N 86 116.825 116.825 119.058 -2.233 18282 426 1 . 1 1 85 85 ILE HA H 86 3.462 3.462 3.585 -0.123 18282 427 1 . 1 1 85 85 ILE C C 86 176.809 176.809 177.853 -1.044 18282 428 1 . 1 1 85 85 ILE CA C 86 61.345 61.345 65.455 -4.110 18282 429 1 . 1 1 85 85 ILE CB C 86 34.099 34.099 37.698 -3.599 18282 430 1 . 1 1 85 85 ILE H H 86 7.952 7.952 8.604 -0.652 18282 431 1 . 1 1 86 86 LYS N N 87 121.846 121.846 120.159 1.687 18282 432 1 . 1 1 86 86 LYS HA H 87 3.231 3.231 3.830 -0.599 18282 433 1 . 1 1 86 86 LYS C C 87 177.221 177.221 178.217 -0.996 18282 434 1 . 1 1 86 86 LYS CA C 87 60.033 60.033 59.787 0.246 18282 435 1 . 1 1 86 86 LYS CB C 87 31.005 31.005 31.909 -0.904 18282 436 1 . 1 1 86 86 LYS H H 87 7.876 7.876 7.853 0.023 18282 437 1 . 1 1 87 87 GLU N N 88 116.331 116.331 119.175 -2.844 18282 438 1 . 1 1 87 87 GLU HA H 88 3.861 3.861 4.218 -0.357 18282 439 1 . 1 1 87 87 GLU C C 88 178.810 178.810 178.747 0.063 18282 440 1 . 1 1 87 87 GLU CA C 88 58.949 58.949 58.209 0.740 18282 441 1 . 1 1 87 87 GLU CB C 88 29.221 29.221 28.838 0.383 18282 442 1 . 1 1 87 87 GLU H H 88 7.679 7.679 7.595 0.084 18282 443 1 . 1 1 88 88 LEU N N 89 118.090 118.090 121.492 -3.402 18282 444 1 . 1 1 88 88 LEU HA H 89 3.909 3.909 4.050 -0.141 18282 445 1 . 1 1 88 88 LEU CA C 89 57.688 57.688 57.951 -0.263 18282 446 1 . 1 1 88 88 LEU CB C 89 41.436 41.436 41.680 -0.244 18282 447 1 . 1 1 88 88 LEU H H 89 7.441 7.441 8.124 -0.683 18282 448 1 . 1 1 89 89 ILE HA H 90 3.344 3.344 3.719 -0.375 18282 449 1 . 1 1 89 89 ILE CA C 90 65.082 65.082 64.525 0.557 18282 450 1 . 1 1 89 89 ILE CB C 90 37.556 37.556 37.832 -0.276 18282 451 1 . 1 1 90 90 ASP HA H 91 3.894 3.894 4.410 -0.516 18282 452 1 . 1 1 90 90 ASP CA C 91 57.678 57.678 55.659 2.019 18282 453 1 . 1 1 90 90 ASP CB C 91 40.546 40.546 40.698 -0.152 18282 454 1 . 1 1 91 91 LYS N N 92 119.422 119.422 119.612 -0.190 18282 455 1 . 1 1 91 91 LYS CA C 92 54.600 54.600 56.750 -2.150 18282 456 1 . 1 1 91 91 LYS CB C 92 32.014 32.014 33.015 -1.001 18282 457 1 . 1 1 91 91 LYS H H 92 7.903 7.903 7.536 0.367 18282 458 1 . 1 1 92 92 LYS HA H 93 4.541 4.541 4.121 0.420 18282 459 1 . 1 1 92 92 LYS CA C 93 55.202 55.202 58.314 -3.112 18282 460 1 . 1 1 92 92 LYS CB C 93 31.758 31.758 32.328 -0.570 18282 461 1 . 1 1 93 93 GLU N N 94 115.922 115.922 118.762 -2.840 18282 462 1 . 1 1 93 93 GLU HA H 94 4.283 4.283 4.267 0.016 18282 463 1 . 1 1 93 93 GLU C C 94 175.613 175.613 176.309 -0.696 18282 464 1 . 1 1 93 93 GLU CA C 94 56.296 56.296 56.242 0.054 18282 465 1 . 1 1 93 93 GLU CB C 94 29.415 29.415 28.816 0.599 18282 466 1 . 1 1 93 93 GLU H H 94 8.140 8.140 8.294 -0.154 18282 467 1 . 1 1 94 94 VAL N N 95 121.304 121.304 118.018 3.286 18282 468 1 . 1 1 94 94 VAL HA H 95 3.773 3.773 3.956 -0.183 18282 469 1 . 1 1 94 94 VAL CA C 95 62.257 62.257 62.663 -0.406 18282 470 1 . 1 1 94 94 VAL CB C 95 32.047 32.047 32.345 -0.298 18282 471 1 . 1 1 94 94 VAL H H 95 8.003 8.003 7.591 0.412 18282 472 1 . 1 1 95 95 ASN H H 96 7.518 7.518 8.265 -0.747 18282 473 1 . 1 1 96 96 PRO HA H 97 4.319 4.319 4.142 0.177 18282 474 1 . 1 1 96 96 PRO C C 97 179.088 179.088 177.924 1.164 18282 475 1 . 1 1 96 96 PRO CA C 97 64.963 64.963 65.096 -0.133 18282 476 1 . 1 1 96 96 PRO CB C 97 32.035 32.035 31.659 0.376 18282 477 1 . 1 1 97 97 GLN N N 98 117.793 117.793 117.139 0.654 18282 478 1 . 1 1 97 97 GLN HA H 98 3.952 3.952 4.084 -0.132 18282 479 1 . 1 1 97 97 GLN C C 98 179.272 179.272 177.642 1.630 18282 480 1 . 1 1 97 97 GLN CA C 98 55.691 55.691 58.600 -2.909 18282 481 1 . 1 1 97 97 GLN CB C 98 28.378 28.378 27.475 0.903 18282 482 1 . 1 1 97 97 GLN H H 98 8.351 8.351 8.501 -0.150 18282 483 1 . 1 1 98 98 VAL N N 99 121.247 121.247 120.202 1.045 18282 484 1 . 1 1 98 98 VAL HA H 99 3.440 3.440 3.781 -0.341 18282 485 1 . 1 1 98 98 VAL CA C 99 67.776 67.776 65.855 1.921 18282 486 1 . 1 1 98 98 VAL CB C 99 31.574 31.574 31.513 0.061 18282 487 1 . 1 1 98 98 VAL H H 99 7.901 7.901 7.791 0.110 18282 488 1 . 1 1 100 100 ALA HA H 101 4.218 4.218 4.088 0.130 18282 489 1 . 1 1 100 100 ALA C C 101 179.599 179.599 179.196 0.403 18282 490 1 . 1 1 100 100 ALA CA C 101 54.685 54.685 54.732 -0.047 18282 491 1 . 1 1 100 100 ALA CB C 101 17.562 17.562 17.966 -0.404 18282 492 1 . 1 1 101 101 ALA N N 102 119.533 119.533 121.239 -1.706 18282 493 1 . 1 1 101 101 ALA HA H 102 4.005 4.005 4.208 -0.203 18282 494 1 . 1 1 101 101 ALA C C 102 180.970 180.970 179.301 1.669 18282 495 1 . 1 1 101 101 ALA CA C 102 55.013 55.013 54.191 0.822 18282 496 1 . 1 1 101 101 ALA CB C 102 17.422 17.422 18.225 -0.803 18282 497 1 . 1 1 101 101 ALA H H 102 7.559 7.559 7.812 -0.253 18282 498 1 . 1 1 102 102 VAL N N 103 122.669 122.669 118.493 4.176 18282 499 1 . 1 1 102 102 VAL HA H 103 4.087 4.087 3.676 0.411 18282 500 1 . 1 1 102 102 VAL C C 103 175.666 175.666 176.916 -1.250 18282 501 1 . 1 1 102 102 VAL CA C 103 61.850 61.850 64.934 -3.084 18282 502 1 . 1 1 102 102 VAL CB C 103 32.576 32.576 31.062 1.514 18282 503 1 . 1 1 102 102 VAL H H 103 8.851 8.851 7.715 1.136 18282 504 1 . 1 1 103 103 ALA N N 104 128.048 128.048 120.939 7.109 18282 505 1 . 1 1 103 103 ALA HA H 104 4.288 4.288 4.029 0.259 18282 506 1 . 1 1 103 103 ALA C C 104 177.344 177.344 178.190 -0.846 18282 507 1 . 1 1 103 103 ALA CA C 104 52.194 52.194 54.116 -1.922 18282 508 1 . 1 1 103 103 ALA CB C 104 19.021 19.021 18.925 0.096 18282 509 1 . 1 1 103 103 ALA H H 104 8.374 8.374 7.680 0.694 18282 510 1 . 1 1 104 104 GLN N N 105 120.285 120.285 116.851 3.434 18282 511 1 . 1 1 104 104 GLN HA H 105 4.281 4.281 4.104 0.177 18282 512 1 . 1 1 104 104 GLN CA C 105 55.656 55.656 56.712 -1.056 18282 513 1 . 1 1 104 104 GLN CB C 105 32.581 32.581 28.441 4.141 18282 514 1 . 1 1 104 104 GLN H H 105 8.374 8.374 7.745 0.629 18282 515 1 . 1 1 105 105 THR HA H 106 4.293 4.293 4.271 0.022 18282 516 1 . 1 1 105 105 THR C C 106 174.384 174.384 174.324 0.060 18282 517 1 . 1 1 105 105 THR CA C 106 61.663 61.663 62.875 -1.212 18282 518 1 . 1 1 105 105 THR CB C 106 69.458 69.458 69.622 -0.164 18282 519 1 . 1 1 106 106 GLU N N 107 122.744 122.744 121.568 1.176 18282 520 1 . 1 1 106 106 GLU HA H 107 4.241 4.241 4.364 -0.123 18282 521 1 . 1 1 106 106 GLU C C 107 176.331 176.331 175.547 0.784 18282 522 1 . 1 1 106 106 GLU CA C 107 56.621 56.621 55.927 0.694 18282 523 1 . 1 1 106 106 GLU CB C 107 30.004 30.004 30.931 -0.927 18282 524 1 . 1 1 106 106 GLU H H 107 8.415 8.415 8.223 0.192 18282 525 1 . 1 1 107 107 GLU N N 108 121.993 121.993 120.692 1.301 18282 526 1 . 1 1 107 107 GLU HA H 108 4.184 4.184 4.527 -0.343 18282 527 1 . 1 1 107 107 GLU C C 108 176.404 176.404 177.741 -1.337 18282 528 1 . 1 1 107 107 GLU CA C 108 56.721 56.721 55.643 1.078 18282 529 1 . 1 1 107 107 GLU CB C 108 29.770 29.770 30.342 -0.572 18282 530 1 . 1 1 107 107 GLU H H 108 8.334 8.334 8.674 -0.340 18282 531 1 . 1 1 108 108 ILE N N 109 122.204 122.204 121.666 0.538 18282 532 1 . 1 1 108 108 ILE HA H 109 4.052 4.052 3.821 0.231 18282 533 1 . 1 1 108 108 ILE C C 109 176.261 176.261 176.183 0.078 18282 534 1 . 1 1 108 108 ILE CA C 109 61.245 61.245 63.383 -2.138 18282 535 1 . 1 1 108 108 ILE CB C 109 38.157 38.157 37.679 0.478 18282 536 1 . 1 1 108 108 ILE H H 109 8.068 8.068 8.846 -0.778 18282 537 1 . 1 1 109 109 LEU N N 110 125.608 125.608 119.972 5.636 18282 538 1 . 1 1 109 109 LEU HA H 110 4.295 4.295 4.188 0.107 18282 539 1 . 1 1 109 109 LEU C C 110 177.275 177.275 177.794 -0.519 18282 540 1 . 1 1 109 109 LEU CA C 110 55.103 55.103 56.146 -1.043 18282 541 1 . 1 1 109 109 LEU CB C 110 41.929 41.929 41.729 0.200 18282 542 1 . 1 1 109 109 LEU H H 110 8.187 8.187 7.536 0.651 18282 543 1 . 1 1 110 110 LYS N N 111 122.154 122.154 119.350 2.804 18282 544 1 . 1 1 110 110 LYS HA H 111 4.278 4.278 4.322 -0.044 18282 545 1 . 1 1 110 110 LYS C C 111 176.606 176.606 176.869 -0.263 18282 546 1 . 1 1 110 110 LYS CA C 111 56.125 56.125 57.404 -1.279 18282 547 1 . 1 1 110 110 LYS CB C 111 32.423 32.423 33.202 -0.779 18282 548 1 . 1 1 110 110 LYS H H 111 8.206 8.206 8.069 0.137 18282 549 1 . 1 1 111 111 SER N N 112 116.381 116.381 116.433 -0.052 18282 550 1 . 1 1 111 111 SER HA H 112 4.395 4.395 4.324 0.071 18282 551 1 . 1 1 111 111 SER C C 112 175.168 175.168 175.789 -0.621 18282 552 1 . 1 1 111 111 SER CA C 112 58.456 58.456 59.875 -1.419 18282 553 1 . 1 1 111 111 SER CB C 112 63.495 63.495 63.529 -0.034 18282 554 1 . 1 1 111 111 SER H H 112 8.217 8.217 7.982 0.235 18282 555 1 . 1 1 112 112 ASN N N 113 119.799 119.799 119.043 0.756 18282 556 1 . 1 1 112 112 ASN HA H 113 4.699 4.699 4.638 0.061 18282 557 1 . 1 1 112 112 ASN C C 113 175.552 175.552 175.370 0.182 18282 558 1 . 1 1 112 112 ASN CA C 113 53.592 53.592 54.750 -1.158 18282 559 1 . 1 1 112 112 ASN CB C 113 38.772 38.772 39.152 -0.380 18282 560 1 . 1 1 112 112 ASN H H 113 7.950 7.950 8.136 -0.186 18282 561 1 . 1 1 113 113 SER N N 114 115.430 115.430 112.155 3.275 18282 562 1 . 1 1 113 113 SER HA H 114 4.382 4.382 4.594 -0.212 18282 563 1 . 1 1 113 113 SER C C 114 174.558 174.558 173.326 1.232 18282 564 1 . 1 1 113 113 SER CA C 114 58.919 58.919 58.085 0.835 18282 565 1 . 1 1 113 113 SER CB C 114 63.494 63.494 64.520 -1.026 18282 566 1 . 1 1 113 113 SER H H 114 7.970 7.970 7.815 0.155 18282 567 1 . 1 1 114 114 GLN N N 115 121.973 121.973 122.315 -0.342 18282 568 1 . 1 1 114 114 GLN HA H 115 4.347 4.347 4.332 0.015 18282 569 1 . 1 1 114 114 GLN C C 115 176.246 176.246 176.222 0.024 18282 570 1 . 1 1 114 114 GLN CA C 115 56.036 56.036 56.532 -0.496 18282 571 1 . 1 1 114 114 GLN CB C 115 29.196 29.196 28.988 0.208 18282 572 1 . 1 1 114 114 GLN H H 115 8.382 8.382 8.565 -0.183 18282 573 1 . 1 1 115 115 THR N N 116 114.701 114.701 112.827 1.874 18282 574 1 . 1 1 115 115 THR HA H 116 4.238 4.238 4.175 0.063 18282 575 1 . 1 1 115 115 THR C C 116 174.276 174.276 175.345 -1.069 18282 576 1 . 1 1 115 115 THR CA C 116 62.221 62.221 63.801 -1.580 18282 577 1 . 1 1 115 115 THR CB C 116 69.405 69.405 69.204 0.201 18282 578 1 . 1 1 115 115 THR H H 116 8.070 8.070 8.005 0.065 18282 579 1 . 1 1 116 116 ASP N N 117 122.566 122.566 120.808 1.758 18282 580 1 . 1 1 116 116 ASP HA H 117 4.575 4.575 4.497 0.078 18282 581 1 . 1 1 116 116 ASP C C 117 176.241 176.241 176.298 -0.057 18282 582 1 . 1 1 116 116 ASP CA C 117 54.286 54.286 56.105 -1.819 18282 583 1 . 1 1 116 116 ASP CB C 117 40.609 40.609 40.788 -0.179 18282 584 1 . 1 1 116 116 ASP H H 117 8.288 8.288 8.496 -0.208 18282 585 1 . 1 1 117 117 LEU N N 118 122.118 122.118 119.976 2.142 18282 586 1 . 1 1 117 117 LEU HA H 118 4.163 4.163 4.395 -0.232 18282 587 1 . 1 1 117 117 LEU C C 118 177.637 177.637 176.031 1.606 18282 588 1 . 1 1 117 117 LEU CA C 118 55.475 55.475 54.540 0.935 18282 589 1 . 1 1 117 117 LEU CB C 118 41.964 41.964 42.814 -0.850 18282 590 1 . 1 1 117 117 LEU H H 118 8.088 8.088 7.746 0.342 18282 591 1 . 1 1 118 118 GLU N N 119 119.527 119.527 120.629 -1.102 18282 592 1 . 1 1 118 118 GLU HA H 119 4.086 4.086 4.132 -0.046 18282 593 1 . 1 1 118 118 GLU C C 119 176.265 176.265 175.436 0.829 18282 594 1 . 1 1 118 118 GLU CA C 119 56.569 56.569 56.745 -0.176 18282 595 1 . 1 1 118 118 GLU CB C 119 29.486 29.486 30.123 -0.637 18282 596 1 . 1 1 118 118 GLU H H 119 8.134 8.134 8.202 -0.068 18282 597 1 . 1 1 119 119 HIS N N 120 118.076 118.076 119.684 -1.608 18282 598 1 . 1 1 119 119 HIS HA H 120 4.485 4.485 4.586 -0.101 18282 599 1 . 1 1 119 119 HIS CA C 120 55.422 55.422 56.134 -0.712 18282 600 1 . 1 1 119 119 HIS CB C 120 28.628 28.628 30.876 -2.248 18282 601 1 . 1 1 119 119 HIS H H 120 8.134 8.134 8.151 -0.017 18282 602 1 . 1 1 120 120 HIS N N 121 119.323 119.323 119.622 -0.299 18282 603 1 . 1 1 120 120 HIS HA H 121 4.242 4.242 4.754 -0.512 18282 604 1 . 1 1 120 120 HIS CA C 121 56.732 56.732 55.334 1.398 18282 605 1 . 1 1 120 120 HIS H H 121 8.372 8.372 8.363 0.009 18282 606 1 . 1 1 121 121 HIS N N 122 126.032 126.032 121.676 4.356 18282 607 1 . 1 1 121 121 HIS CA C 122 57.036 57.036 56.890 0.146 18282 608 1 . 1 1 121 121 HIS CB C 122 29.923 29.923 30.701 -0.778 18282 609 1 . 1 1 121 121 HIS H H 122 7.900 7.900 8.658 -0.758 18282 610 1 . 1 1 122 122 HIS N N 123 121.012 121.012 119.641 1.371 18282 611 1 . 1 1 122 122 HIS HA H 123 4.595 4.595 4.558 0.036 18282 612 1 . 1 1 122 122 HIS CA C 123 55.372 55.372 56.410 -1.038 18282 613 1 . 1 1 122 122 HIS CB C 123 29.165 29.165 30.660 -1.495 18282 614 1 . 1 1 122 122 HIS H H 123 8.595 8.595 8.380 0.215 18282 615 1 . 1 1 123 123 HIS N N 124 120.343 120.343 119.673 0.670 18282 616 1 . 1 1 123 123 HIS CA C 124 57.380 57.380 56.930 0.450 18282 617 1 . 1 1 123 123 HIS CB C 124 35.491 35.491 30.558 4.933 18282 618 1 . 1 1 123 123 HIS H H 124 8.558 8.558 8.487 0.071 18282 stop_ save_