data_25576 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25576 _Entry.PDB_ID 2N1V 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 25576 _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 SER N N 2 116.367 116.367 117.450 -1.083 25576 2 1 1 . 1 1 2 2 SER HA H 2 4.458 4.458 4.302 0.156 25576 3 1 1 . 1 1 2 2 SER C C 2 174.579 174.579 175.485 -0.906 25576 4 1 1 . 1 1 2 2 SER CA C 2 58.539 58.539 60.734 -2.195 25576 5 1 1 . 1 1 2 2 SER CB C 2 63.940 63.940 62.907 1.033 25576 6 1 1 . 1 1 2 2 SER H H 2 8.127 8.127 8.485 -0.358 25576 7 1 1 . 1 1 3 3 ASP N N 3 122.355 122.355 117.512 4.843 25576 8 1 1 . 1 1 3 3 ASP HA H 3 4.566 4.566 4.604 -0.038 25576 9 1 1 . 1 1 3 3 ASP C C 3 176.445 176.445 175.648 0.797 25576 10 1 1 . 1 1 3 3 ASP CA C 3 54.819 54.819 53.426 1.393 25576 11 1 1 . 1 1 3 3 ASP CB C 3 40.939 40.939 38.717 2.222 25576 12 1 1 . 1 1 3 3 ASP H H 3 8.360 8.360 8.504 -0.144 25576 13 1 1 . 1 1 4 4 GLN N N 4 119.955 119.955 116.762 3.193 25576 14 1 1 . 1 1 4 4 GLN HA H 4 4.262 4.262 4.323 -0.061 25576 15 1 1 . 1 1 4 4 GLN C C 4 176.138 176.138 175.639 0.499 25576 16 1 1 . 1 1 4 4 GLN CA C 4 55.933 55.933 56.174 -0.241 25576 17 1 1 . 1 1 4 4 GLN CB C 4 29.411 29.411 28.710 0.700 25576 18 1 1 . 1 1 4 4 GLN H H 4 8.250 8.250 7.504 0.746 25576 19 1 1 . 1 1 5 5 GLU N N 5 121.392 121.392 118.732 2.660 25576 20 1 1 . 1 1 5 5 GLU HA H 5 4.203 4.203 4.342 -0.139 25576 21 1 1 . 1 1 5 5 GLU C C 5 176.137 176.137 175.002 1.135 25576 22 1 1 . 1 1 5 5 GLU CA C 5 56.480 56.480 56.001 0.479 25576 23 1 1 . 1 1 5 5 GLU CB C 5 30.261 30.261 30.471 -0.210 25576 24 1 1 . 1 1 5 5 GLU H H 5 8.292 8.292 7.893 0.399 25576 25 1 1 . 1 1 6 6 ALA N N 6 125.339 125.339 123.052 2.287 25576 26 1 1 . 1 1 6 6 ALA HA H 6 4.261 4.261 4.436 -0.175 25576 27 1 1 . 1 1 6 6 ALA C C 6 177.348 177.348 175.788 1.560 25576 28 1 1 . 1 1 6 6 ALA CA C 6 52.319 52.319 51.554 0.765 25576 29 1 1 . 1 1 6 6 ALA CB C 6 19.120 19.120 20.966 -1.847 25576 30 1 1 . 1 1 6 6 ALA H H 6 8.253 8.253 8.120 0.133 25576 31 1 1 . 1 1 7 7 LYS N N 7 122.299 122.299 118.933 3.366 25576 32 1 1 . 1 1 7 7 LYS HA H 7 4.573 4.573 4.772 -0.199 25576 33 1 1 . 1 1 7 7 LYS CA C 7 54.062 54.062 52.863 1.199 25576 34 1 1 . 1 1 7 7 LYS CB C 7 32.588 32.588 31.874 0.714 25576 35 1 1 . 1 1 7 7 LYS H H 7 8.302 8.302 8.586 -0.284 25576 36 1 1 . 1 1 8 8 PRO HA H 8 4.425 4.425 4.506 -0.081 25576 37 1 1 . 1 1 8 8 PRO C C 8 177.020 177.020 176.071 0.949 25576 38 1 1 . 1 1 8 8 PRO CA C 8 63.029 63.029 63.387 -0.358 25576 39 1 1 . 1 1 8 8 PRO CB C 8 32.158 32.158 31.647 0.511 25576 40 1 1 . 1 1 9 9 SER N N 9 116.888 116.888 120.092 -3.204 25576 41 1 1 . 1 1 9 9 SER HA H 9 4.479 4.479 4.734 -0.255 25576 42 1 1 . 1 1 9 9 SER C C 9 174.261 174.261 173.815 0.446 25576 43 1 1 . 1 1 9 9 SER CA C 9 58.299 58.299 57.593 0.706 25576 44 1 1 . 1 1 9 9 SER CB C 9 63.848 63.848 64.112 -0.264 25576 45 1 1 . 1 1 9 9 SER H H 9 8.596 8.596 8.756 -0.160 25576 46 1 1 . 1 1 10 10 THR N N 10 115.838 115.838 113.475 2.363 25576 47 1 1 . 1 1 10 10 THR HA H 10 4.334 4.334 4.255 0.079 25576 48 1 1 . 1 1 10 10 THR C C 10 176.158 176.158 174.285 1.873 25576 49 1 1 . 1 1 10 10 THR CA C 10 61.966 61.966 61.774 0.192 25576 50 1 1 . 1 1 10 10 THR CB C 10 69.581 69.581 69.622 -0.041 25576 51 1 1 . 1 1 10 10 THR H H 10 8.247 8.247 7.770 0.477 25576 52 1 1 . 1 1 11 11 GLU N N 11 122.975 122.975 124.967 -1.992 25576 53 1 1 . 1 1 11 11 GLU HA H 11 4.237 4.237 4.244 -0.007 25576 54 1 1 . 1 1 11 11 GLU C C 11 175.920 175.920 175.382 0.538 25576 55 1 1 . 1 1 11 11 GLU CA C 11 56.779 56.779 56.657 0.122 25576 56 1 1 . 1 1 11 11 GLU CB C 11 29.869 29.869 29.611 0.258 25576 57 1 1 . 1 1 11 11 GLU H H 11 8.355 8.355 8.658 -0.303 25576 58 1 1 . 1 1 12 12 ASP N N 12 122.117 122.117 126.318 -4.201 25576 59 1 1 . 1 1 12 12 ASP HA H 12 4.562 4.562 4.586 -0.024 25576 60 1 1 . 1 1 12 12 ASP C C 12 176.402 176.402 175.603 0.799 25576 61 1 1 . 1 1 12 12 ASP CA C 12 54.224 54.224 55.679 -1.455 25576 62 1 1 . 1 1 12 12 ASP CB C 12 41.161 41.161 41.563 -0.402 25576 63 1 1 . 1 1 12 12 ASP H H 12 8.411 8.411 8.740 -0.329 25576 64 1 1 . 1 1 13 13 LEU N N 13 123.695 123.695 114.225 9.470 25576 65 1 1 . 1 1 13 13 LEU HA H 13 4.306 4.306 4.795 -0.489 25576 66 1 1 . 1 1 13 13 LEU C C 13 178.231 178.231 175.984 2.247 25576 67 1 1 . 1 1 13 13 LEU CA C 13 55.384 55.384 53.468 1.915 25576 68 1 1 . 1 1 13 13 LEU CB C 13 42.132 42.132 44.676 -2.544 25576 69 1 1 . 1 1 13 13 LEU H H 13 8.391 8.391 7.365 1.026 25576 70 1 1 . 1 1 14 14 GLY N N 14 108.928 108.928 106.193 2.735 25576 71 1 1 . 1 1 14 14 GLY C C 14 174.014 174.014 173.452 0.562 25576 72 1 1 . 1 1 14 14 GLY CA C 14 45.600 45.600 45.319 0.281 25576 73 1 1 . 1 1 14 14 GLY H H 14 8.456 8.456 8.428 0.028 25576 74 1 1 . 1 1 15 15 ASP N N 15 120.427 120.427 122.418 -1.991 25576 75 1 1 . 1 1 15 15 ASP HA H 15 4.544 4.544 4.901 -0.357 25576 76 1 1 . 1 1 15 15 ASP C C 15 176.810 176.810 175.175 1.635 25576 77 1 1 . 1 1 15 15 ASP CA C 15 54.389 54.389 54.001 0.388 25576 78 1 1 . 1 1 15 15 ASP CB C 15 41.153 41.153 40.771 0.382 25576 79 1 1 . 1 1 15 15 ASP H H 15 8.207 8.207 8.385 -0.178 25576 80 1 1 . 1 1 16 16 LYS N N 16 121.257 121.257 121.960 -0.703 25576 81 1 1 . 1 1 16 16 LYS HA H 16 4.269 4.269 4.539 -0.270 25576 82 1 1 . 1 1 16 16 LYS C C 16 176.470 176.470 174.948 1.522 25576 83 1 1 . 1 1 16 16 LYS CA C 16 56.579 56.579 55.340 1.238 25576 84 1 1 . 1 1 16 16 LYS CB C 16 29.470 29.470 34.169 -4.699 25576 85 1 1 . 1 1 16 16 LYS H H 16 8.302 8.302 8.174 0.128 25576 86 1 1 . 1 1 17 17 LYS N N 17 122.205 122.205 120.771 1.434 25576 87 1 1 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.578 -0.311 25576 88 1 1 . 1 1 17 17 LYS C C 17 176.837 176.837 176.350 0.487 25576 89 1 1 . 1 1 17 17 LYS CA C 17 56.177 56.177 55.946 0.231 25576 90 1 1 . 1 1 17 17 LYS CB C 17 32.684 32.684 33.236 -0.552 25576 91 1 1 . 1 1 17 17 LYS H H 17 8.383 8.383 8.290 0.093 25576 92 1 1 . 1 1 18 18 GLU N N 18 121.859 121.859 119.998 1.861 25576 93 1 1 . 1 1 18 18 GLU HA H 18 4.252 4.252 4.467 -0.215 25576 94 1 1 . 1 1 18 18 GLU C C 18 176.964 176.964 175.398 1.566 25576 95 1 1 . 1 1 18 18 GLU CA C 18 57.094 57.094 55.874 1.220 25576 96 1 1 . 1 1 18 18 GLU CB C 18 30.261 30.261 30.441 -0.180 25576 97 1 1 . 1 1 18 18 GLU H H 18 8.497 8.497 8.314 0.183 25576 98 1 1 . 1 1 19 19 GLY N N 19 109.716 109.716 108.318 1.398 25576 99 1 1 . 1 1 19 19 GLY C C 19 173.520 173.520 173.750 -0.230 25576 100 1 1 . 1 1 19 19 GLY CA C 19 45.386 45.386 46.114 -0.728 25576 101 1 1 . 1 1 19 19 GLY H H 19 8.447 8.447 8.314 0.133 25576 102 1 1 . 1 1 20 20 GLU N N 20 119.640 119.640 119.650 -0.010 25576 103 1 1 . 1 1 20 20 GLU HA H 20 4.255 4.255 4.586 -0.331 25576 104 1 1 . 1 1 20 20 GLU C C 20 175.453 175.453 175.270 0.183 25576 105 1 1 . 1 1 20 20 GLU CA C 20 56.726 56.726 55.451 1.275 25576 106 1 1 . 1 1 20 20 GLU CB C 20 30.806 30.806 31.442 -0.635 25576 107 1 1 . 1 1 20 20 GLU H H 20 8.227 8.227 8.558 -0.331 25576 108 1 1 . 1 1 21 21 TYR N N 21 119.301 119.301 118.117 1.184 25576 109 1 1 . 1 1 21 21 TYR HA H 21 5.083 5.083 4.604 0.479 25576 110 1 1 . 1 1 21 21 TYR C C 21 175.805 175.805 174.835 0.970 25576 111 1 1 . 1 1 21 21 TYR CA C 21 57.427 57.427 56.684 0.744 25576 112 1 1 . 1 1 21 21 TYR CB C 21 41.620 41.620 39.319 2.301 25576 113 1 1 . 1 1 21 21 TYR H H 21 8.367 8.367 7.282 1.085 25576 114 1 1 . 1 1 22 22 ILE N N 22 116.642 116.642 116.790 -0.148 25576 115 1 1 . 1 1 22 22 ILE HA H 22 4.787 4.787 4.718 0.069 25576 116 1 1 . 1 1 22 22 ILE C C 22 173.467 173.467 174.717 -1.250 25576 117 1 1 . 1 1 22 22 ILE CA C 22 59.685 59.685 59.054 0.631 25576 118 1 1 . 1 1 22 22 ILE CB C 22 42.383 42.383 41.663 0.719 25576 119 1 1 . 1 1 22 22 ILE H H 22 9.151 9.151 9.073 0.078 25576 120 1 1 . 1 1 23 23 LYS N N 23 124.306 124.306 119.842 4.464 25576 121 1 1 . 1 1 23 23 LYS HA H 23 5.289 5.289 5.381 -0.092 25576 122 1 1 . 1 1 23 23 LYS C C 23 175.553 175.553 175.911 -0.358 25576 123 1 1 . 1 1 23 23 LYS CA C 23 55.629 55.629 55.274 0.355 25576 124 1 1 . 1 1 23 23 LYS CB C 23 33.744 33.744 34.648 -0.903 25576 125 1 1 . 1 1 23 23 LYS H H 23 8.623 8.623 8.288 0.335 25576 126 1 1 . 1 1 24 24 LEU N N 24 124.177 124.177 121.740 2.437 25576 127 1 1 . 1 1 24 24 LEU HA H 24 4.974 4.974 5.109 -0.135 25576 128 1 1 . 1 1 24 24 LEU C C 24 175.910 175.910 174.352 1.558 25576 129 1 1 . 1 1 24 24 LEU CA C 24 52.835 52.835 54.057 -1.222 25576 130 1 1 . 1 1 24 24 LEU CB C 24 46.661 46.661 47.148 -0.487 25576 131 1 1 . 1 1 24 24 LEU H H 24 8.940 8.940 9.174 -0.234 25576 132 1 1 . 1 1 25 25 LYS N N 25 120.635 120.635 120.417 0.218 25576 133 1 1 . 1 1 25 25 LYS HA H 25 4.714 4.714 4.824 -0.110 25576 134 1 1 . 1 1 25 25 LYS C C 25 174.125 174.125 174.158 -0.033 25576 135 1 1 . 1 1 25 25 LYS CA C 25 55.122 55.122 53.510 1.612 25576 136 1 1 . 1 1 25 25 LYS CB C 25 34.919 34.919 36.495 -1.576 25576 137 1 1 . 1 1 25 25 LYS H H 25 8.621 8.621 8.709 -0.088 25576 138 1 1 . 1 1 26 26 VAL N N 26 124.130 124.130 124.860 -0.730 25576 139 1 1 . 1 1 26 26 VAL HA H 26 5.043 5.043 4.703 0.340 25576 140 1 1 . 1 1 26 26 VAL C C 26 176.195 176.195 174.341 1.854 25576 141 1 1 . 1 1 26 26 VAL CA C 26 61.193 61.193 60.560 0.633 25576 142 1 1 . 1 1 26 26 VAL CB C 26 32.270 32.270 35.734 -3.464 25576 143 1 1 . 1 1 26 26 VAL H H 26 9.113 9.113 8.665 0.448 25576 144 1 1 . 1 1 27 27 ILE N N 27 128.245 128.245 126.725 1.520 25576 145 1 1 . 1 1 27 27 ILE HA H 27 5.012 5.012 4.455 0.557 25576 146 1 1 . 1 1 27 27 ILE C C 27 175.976 175.976 175.009 0.967 25576 147 1 1 . 1 1 27 27 ILE CA C 27 59.910 59.910 58.540 1.370 25576 148 1 1 . 1 1 27 27 ILE CB C 27 39.851 39.851 37.648 2.203 25576 149 1 1 . 1 1 27 27 ILE H H 27 9.063 9.063 8.452 0.611 25576 150 1 1 . 1 1 28 28 GLY N N 28 113.332 113.332 112.329 1.003 25576 151 1 1 . 1 1 28 28 GLY C C 28 175.505 175.505 175.489 0.016 25576 152 1 1 . 1 1 28 28 GLY CA C 28 43.958 43.958 43.850 0.108 25576 153 1 1 . 1 1 28 28 GLY H H 28 8.485 8.485 7.926 0.559 25576 154 1 1 . 1 1 29 29 GLN N N 29 120.493 120.493 118.250 2.243 25576 155 1 1 . 1 1 29 29 GLN HA H 29 4.113 4.113 4.031 0.082 25576 156 1 1 . 1 1 29 29 GLN C C 29 176.003 176.003 176.805 -0.802 25576 157 1 1 . 1 1 29 29 GLN CA C 29 57.808 57.808 57.639 0.169 25576 158 1 1 . 1 1 29 29 GLN CB C 29 28.735 28.735 28.734 0.001 25576 159 1 1 . 1 1 29 29 GLN H H 29 8.768 8.768 8.847 -0.079 25576 160 1 1 . 1 1 30 30 ASP N N 30 118.342 118.342 118.648 -0.306 25576 161 1 1 . 1 1 30 30 ASP HA H 30 4.537 4.537 4.741 -0.204 25576 162 1 1 . 1 1 30 30 ASP C C 30 176.461 176.461 175.614 0.847 25576 163 1 1 . 1 1 30 30 ASP CA C 30 53.271 53.271 53.538 -0.267 25576 164 1 1 . 1 1 30 30 ASP CB C 30 39.867 39.867 41.112 -1.245 25576 165 1 1 . 1 1 30 30 ASP H H 30 8.335 8.335 7.701 0.634 25576 166 1 1 . 1 1 31 31 SER N N 31 111.069 111.069 113.110 -2.041 25576 167 1 1 . 1 1 31 31 SER HA H 31 4.044 4.044 4.180 -0.136 25576 168 1 1 . 1 1 31 31 SER C C 31 173.554 173.554 173.322 0.232 25576 169 1 1 . 1 1 31 31 SER CA C 31 60.529 60.529 58.560 1.969 25576 170 1 1 . 1 1 31 31 SER CB C 31 62.268 62.268 62.241 0.027 25576 171 1 1 . 1 1 31 31 SER H H 31 7.997 7.997 8.021 -0.024 25576 172 1 1 . 1 1 32 32 SER N N 32 117.489 117.489 116.334 1.155 25576 173 1 1 . 1 1 32 32 SER HA H 32 4.380 4.380 4.371 0.009 25576 174 1 1 . 1 1 32 32 SER C C 32 173.550 173.550 174.199 -0.649 25576 175 1 1 . 1 1 32 32 SER CA C 32 58.590 58.590 59.032 -0.442 25576 176 1 1 . 1 1 32 32 SER CB C 32 64.008 64.008 62.807 1.200 25576 177 1 1 . 1 1 32 32 SER H H 32 8.081 8.081 8.085 -0.004 25576 178 1 1 . 1 1 33 33 GLU N N 33 121.738 121.738 126.459 -4.721 25576 179 1 1 . 1 1 33 33 GLU HA H 33 5.131 5.131 5.060 0.071 25576 180 1 1 . 1 1 33 33 GLU C C 33 175.317 175.317 175.991 -0.674 25576 181 1 1 . 1 1 33 33 GLU CA C 33 55.212 55.212 55.819 -0.607 25576 182 1 1 . 1 1 33 33 GLU CB C 33 32.596 32.596 30.225 2.371 25576 183 1 1 . 1 1 33 33 GLU H H 33 8.616 8.616 8.085 0.531 25576 184 1 1 . 1 1 34 34 ILE N N 34 124.389 124.389 125.070 -0.681 25576 185 1 1 . 1 1 34 34 ILE HA H 34 4.359 4.359 4.513 -0.154 25576 186 1 1 . 1 1 34 34 ILE C C 34 174.612 174.612 175.072 -0.460 25576 187 1 1 . 1 1 34 34 ILE CA C 34 60.266 60.266 59.264 1.002 25576 188 1 1 . 1 1 34 34 ILE CB C 34 40.906 40.906 40.176 0.730 25576 189 1 1 . 1 1 34 34 ILE H H 34 8.670 8.670 8.475 0.195 25576 190 1 1 . 1 1 35 35 HIS N N 35 125.683 125.683 124.498 1.185 25576 191 1 1 . 1 1 35 35 HIS HA H 35 5.597 5.597 4.912 0.685 25576 192 1 1 . 1 1 35 35 HIS C C 35 174.902 174.902 174.180 0.722 25576 193 1 1 . 1 1 35 35 HIS CA C 35 54.765 54.765 53.987 0.778 25576 194 1 1 . 1 1 35 35 HIS CB C 35 32.411 32.411 32.395 0.016 25576 195 1 1 . 1 1 35 35 HIS H H 35 8.699 8.699 8.628 0.071 25576 196 1 1 . 1 1 36 36 PHE N N 36 119.920 119.920 117.966 1.954 25576 197 1 1 . 1 1 36 36 PHE HA H 36 4.949 4.949 5.102 -0.153 25576 198 1 1 . 1 1 36 36 PHE C C 36 174.000 174.000 173.624 0.376 25576 199 1 1 . 1 1 36 36 PHE CA C 36 57.003 57.003 55.696 1.308 25576 200 1 1 . 1 1 36 36 PHE CB C 36 44.431 44.431 41.029 3.402 25576 201 1 1 . 1 1 36 36 PHE H H 36 9.103 9.103 8.094 1.009 25576 202 1 1 . 1 1 37 37 LYS N N 37 123.747 123.747 122.262 1.485 25576 203 1 1 . 1 1 37 37 LYS HA H 37 4.294 4.294 5.488 -1.194 25576 204 1 1 . 1 1 37 37 LYS C C 37 176.145 176.145 175.743 0.402 25576 205 1 1 . 1 1 37 37 LYS CA C 37 55.448 55.448 55.630 -0.182 25576 206 1 1 . 1 1 37 37 LYS CB C 37 33.467 33.467 34.031 -0.564 25576 207 1 1 . 1 1 37 37 LYS H H 37 8.787 8.787 8.616 0.171 25576 208 1 1 . 1 1 38 38 VAL N N 38 119.736 119.736 118.462 1.274 25576 209 1 1 . 1 1 38 38 VAL HA H 38 4.957 4.957 4.538 0.419 25576 210 1 1 . 1 1 38 38 VAL C C 38 174.245 174.245 174.187 0.058 25576 211 1 1 . 1 1 38 38 VAL CA C 38 58.935 58.935 58.998 -0.063 25576 212 1 1 . 1 1 38 38 VAL CB C 38 35.429 35.429 35.713 -0.284 25576 213 1 1 . 1 1 38 38 VAL H H 38 9.138 9.138 9.117 0.021 25576 214 1 1 . 1 1 39 39 LYS N N 39 122.359 122.359 121.430 0.929 25576 215 1 1 . 1 1 39 39 LYS HA H 39 3.837 3.837 4.365 -0.528 25576 216 1 1 . 1 1 39 39 LYS C C 39 179.383 179.383 177.982 1.401 25576 217 1 1 . 1 1 39 39 LYS CA C 39 56.814 56.814 56.763 0.051 25576 218 1 1 . 1 1 39 39 LYS CB C 39 30.576 30.576 33.250 -2.674 25576 219 1 1 . 1 1 39 39 LYS H H 39 8.611 8.611 8.576 0.035 25576 220 1 1 . 1 1 40 40 MET N N 40 119.929 119.929 120.968 -1.039 25576 221 1 1 . 1 1 40 40 MET HA H 40 4.103 4.103 4.282 -0.179 25576 222 1 1 . 1 1 40 40 MET C C 40 176.546 176.546 176.950 -0.404 25576 223 1 1 . 1 1 40 40 MET CA C 40 57.320 57.320 58.937 -1.617 25576 224 1 1 . 1 1 40 40 MET CB C 40 30.903 30.903 32.800 -1.897 25576 225 1 1 . 1 1 40 40 MET H H 40 8.562 8.562 9.016 -0.454 25576 226 1 1 . 1 1 41 41 THR N N 41 100.263 100.263 110.008 -9.745 25576 227 1 1 . 1 1 41 41 THR HA H 41 4.349 4.349 4.447 -0.098 25576 228 1 1 . 1 1 41 41 THR C C 41 174.506 174.506 174.441 0.065 25576 229 1 1 . 1 1 41 41 THR CA C 41 60.147 60.147 61.288 -1.141 25576 230 1 1 . 1 1 41 41 THR CB C 41 68.836 68.836 68.219 0.617 25576 231 1 1 . 1 1 41 41 THR H H 41 6.974 6.974 8.032 -1.058 25576 232 1 1 . 1 1 42 42 THR N N 42 120.616 120.616 115.926 4.690 25576 233 1 1 . 1 1 42 42 THR HA H 42 4.187 4.187 4.541 -0.354 25576 234 1 1 . 1 1 42 42 THR C C 42 174.052 174.052 173.083 0.969 25576 235 1 1 . 1 1 42 42 THR CA C 42 63.153 63.153 59.935 3.218 25576 236 1 1 . 1 1 42 42 THR CB C 42 69.645 69.645 71.183 -1.538 25576 237 1 1 . 1 1 42 42 THR H H 42 7.192 7.192 7.340 -0.148 25576 238 1 1 . 1 1 43 43 HIS N N 43 126.236 126.236 121.755 4.481 25576 239 1 1 . 1 1 43 43 HIS HA H 43 4.411 4.411 4.558 -0.147 25576 240 1 1 . 1 1 43 43 HIS C C 43 178.431 178.431 176.723 1.708 25576 241 1 1 . 1 1 43 43 HIS CA C 43 57.366 57.366 56.147 1.219 25576 242 1 1 . 1 1 43 43 HIS CB C 43 30.155 30.155 30.704 -0.549 25576 243 1 1 . 1 1 43 43 HIS H H 43 8.807 8.807 8.600 0.207 25576 244 1 1 . 1 1 44 44 LEU N N 44 124.757 124.757 125.169 -0.412 25576 245 1 1 . 1 1 44 44 LEU HA H 44 3.983 3.983 4.111 -0.128 25576 246 1 1 . 1 1 44 44 LEU C C 44 177.051 177.051 177.959 -0.908 25576 247 1 1 . 1 1 44 44 LEU CA C 44 58.790 58.790 55.977 2.813 25576 248 1 1 . 1 1 44 44 LEU CB C 44 41.240 41.240 41.167 0.073 25576 249 1 1 . 1 1 44 44 LEU H H 44 9.349 9.349 8.983 0.366 25576 250 1 1 . 1 1 45 45 LYS N N 45 121.424 121.424 118.939 2.485 25576 251 1 1 . 1 1 45 45 LYS HA H 45 3.584 3.584 3.787 -0.203 25576 252 1 1 . 1 1 45 45 LYS C C 45 176.867 176.867 178.161 -1.294 25576 253 1 1 . 1 1 45 45 LYS CA C 45 60.662 60.662 59.300 1.362 25576 254 1 1 . 1 1 45 45 LYS CB C 45 33.389 33.389 31.129 2.260 25576 255 1 1 . 1 1 45 45 LYS H H 45 8.543 8.543 7.803 0.740 25576 256 1 1 . 1 1 46 46 LYS N N 46 114.033 114.033 118.770 -4.737 25576 257 1 1 . 1 1 46 46 LYS HA H 46 4.087 4.087 4.127 -0.040 25576 258 1 1 . 1 1 46 46 LYS C C 46 178.977 178.977 178.507 0.470 25576 259 1 1 . 1 1 46 46 LYS CA C 46 58.615 58.615 59.125 -0.510 25576 260 1 1 . 1 1 46 46 LYS CB C 46 31.643 31.643 31.764 -0.121 25576 261 1 1 . 1 1 46 46 LYS H H 46 7.517 7.517 7.471 0.046 25576 262 1 1 . 1 1 47 47 LEU N N 47 121.871 121.871 121.494 0.377 25576 263 1 1 . 1 1 47 47 LEU HA H 47 3.660 3.660 3.759 -0.099 25576 264 1 1 . 1 1 47 47 LEU C C 47 177.575 177.575 178.159 -0.584 25576 265 1 1 . 1 1 47 47 LEU CA C 47 58.514 58.514 57.577 0.938 25576 266 1 1 . 1 1 47 47 LEU CB C 47 41.890 41.890 41.609 0.280 25576 267 1 1 . 1 1 47 47 LEU H H 47 6.739 6.739 7.202 -0.463 25576 268 1 1 . 1 1 48 48 LYS N N 48 118.246 118.246 118.997 -0.751 25576 269 1 1 . 1 1 48 48 LYS HA H 48 3.081 3.081 4.091 -1.010 25576 270 1 1 . 1 1 48 48 LYS C C 48 178.700 178.700 178.954 -0.254 25576 271 1 1 . 1 1 48 48 LYS CA C 48 59.712 59.712 60.379 -0.667 25576 272 1 1 . 1 1 48 48 LYS CB C 48 32.411 32.411 32.042 0.369 25576 273 1 1 . 1 1 48 48 LYS H H 48 7.556 7.556 8.248 -0.692 25576 274 1 1 . 1 1 49 49 GLU N N 49 118.092 118.092 117.906 0.186 25576 275 1 1 . 1 1 49 49 GLU HA H 49 3.973 3.973 3.932 0.041 25576 276 1 1 . 1 1 49 49 GLU C C 49 179.453 179.453 178.655 0.798 25576 277 1 1 . 1 1 49 49 GLU CA C 49 59.627 59.627 58.974 0.653 25576 278 1 1 . 1 1 49 49 GLU CB C 49 30.120 30.120 28.843 1.277 25576 279 1 1 . 1 1 49 49 GLU H H 49 8.500 8.500 8.308 0.192 25576 280 1 1 . 1 1 50 50 SER N N 50 115.646 115.646 116.859 -1.213 25576 281 1 1 . 1 1 50 50 SER HA H 50 4.260 4.260 4.138 0.122 25576 282 1 1 . 1 1 50 50 SER C C 50 177.171 177.171 176.563 0.608 25576 283 1 1 . 1 1 50 50 SER CA C 50 61.947 61.947 62.161 -0.214 25576 284 1 1 . 1 1 50 50 SER CB C 50 63.258 63.258 63.226 0.032 25576 285 1 1 . 1 1 50 50 SER H H 50 7.966 7.966 7.766 0.200 25576 286 1 1 . 1 1 51 51 TYR N N 51 122.610 122.610 119.283 3.327 25576 287 1 1 . 1 1 51 51 TYR HA H 51 4.026 4.026 4.469 -0.443 25576 288 1 1 . 1 1 51 51 TYR C C 51 177.374 177.374 177.117 0.257 25576 289 1 1 . 1 1 51 51 TYR CA C 51 63.608 63.608 59.668 3.940 25576 290 1 1 . 1 1 51 51 TYR CB C 51 38.618 38.618 37.634 0.984 25576 291 1 1 . 1 1 51 51 TYR H H 51 8.833 8.833 8.071 0.762 25576 292 1 1 . 1 1 52 52 CYS N N 52 117.395 117.395 119.915 -2.520 25576 293 1 1 . 1 1 52 52 CYS HA H 52 3.915 3.915 3.764 0.151 25576 294 1 1 . 1 1 52 52 CYS C C 52 177.182 177.182 176.571 0.611 25576 295 1 1 . 1 1 52 52 CYS CA C 52 65.108 65.108 64.609 0.499 25576 296 1 1 . 1 1 52 52 CYS CB C 52 26.151 26.151 27.175 -1.024 25576 297 1 1 . 1 1 52 52 CYS H H 52 8.676 8.676 7.369 1.307 25576 298 1 1 . 1 1 53 53 GLN N N 53 119.196 119.196 118.956 0.240 25576 299 1 1 . 1 1 53 53 GLN HA H 53 4.109 4.109 3.975 0.134 25576 300 1 1 . 1 1 53 53 GLN C C 53 179.105 179.105 178.259 0.846 25576 301 1 1 . 1 1 53 53 GLN CA C 53 58.973 58.973 58.319 0.654 25576 302 1 1 . 1 1 53 53 GLN CB C 53 28.211 28.211 27.984 0.227 25576 303 1 1 . 1 1 53 53 GLN H H 53 8.322 8.322 8.191 0.131 25576 304 1 1 . 1 1 54 54 ARG N N 54 120.139 120.139 119.894 0.245 25576 305 1 1 . 1 1 54 54 ARG HA H 54 4.018 4.018 4.100 -0.082 25576 306 1 1 . 1 1 54 54 ARG C C 54 178.300 178.300 178.607 -0.307 25576 307 1 1 . 1 1 54 54 ARG CA C 54 58.552 58.552 58.428 0.124 25576 308 1 1 . 1 1 54 54 ARG CB C 54 29.669 29.669 29.810 -0.141 25576 309 1 1 . 1 1 54 54 ARG H H 54 8.011 8.011 7.733 0.278 25576 310 1 1 . 1 1 55 55 GLN N N 55 114.160 114.160 116.458 -2.298 25576 311 1 1 . 1 1 55 55 GLN HA H 55 4.251 4.251 4.349 -0.098 25576 312 1 1 . 1 1 55 55 GLN C C 55 176.410 176.410 176.927 -0.517 25576 313 1 1 . 1 1 55 55 GLN CA C 55 55.119 55.119 56.536 -1.417 25576 314 1 1 . 1 1 55 55 GLN CB C 55 29.424 29.424 29.391 0.033 25576 315 1 1 . 1 1 55 55 GLN H H 55 7.806 7.806 7.817 -0.011 25576 316 1 1 . 1 1 56 56 GLY N N 56 109.749 109.749 107.615 2.134 25576 317 1 1 . 1 1 56 56 GLY C C 56 174.908 174.908 174.077 0.831 25576 318 1 1 . 1 1 56 56 GLY CA C 56 46.658 46.658 45.322 1.336 25576 319 1 1 . 1 1 56 56 GLY H H 56 7.932 7.932 7.890 0.042 25576 320 1 1 . 1 1 57 57 VAL N N 57 111.990 111.990 116.467 -4.477 25576 321 1 1 . 1 1 57 57 VAL HA H 57 4.941 4.941 4.725 0.216 25576 322 1 1 . 1 1 57 57 VAL CA C 57 57.534 57.534 57.650 -0.116 25576 323 1 1 . 1 1 57 57 VAL CB C 57 32.697 32.697 33.509 -0.812 25576 324 1 1 . 1 1 57 57 VAL H H 57 7.651 7.651 7.557 0.094 25576 325 1 1 . 1 1 58 58 PRO HA H 58 4.528 4.528 4.567 -0.039 25576 326 1 1 . 1 1 58 58 PRO C C 58 179.169 179.169 178.041 1.128 25576 327 1 1 . 1 1 58 58 PRO CA C 58 62.211 62.211 62.408 -0.197 25576 328 1 1 . 1 1 58 58 PRO CB C 58 32.543 32.543 32.763 -0.220 25576 329 1 1 . 1 1 59 59 MET N N 59 124.522 124.522 119.218 5.304 25576 330 1 1 . 1 1 59 59 MET HA H 59 4.703 4.703 4.272 0.431 25576 331 1 1 . 1 1 59 59 MET C C 59 177.459 177.459 176.319 1.140 25576 332 1 1 . 1 1 59 59 MET CA C 59 58.247 58.247 58.042 0.205 25576 333 1 1 . 1 1 59 59 MET CB C 59 32.795 32.795 32.314 0.481 25576 334 1 1 . 1 1 59 59 MET H H 59 9.002 9.002 8.873 0.129 25576 335 1 1 . 1 1 60 60 ASN N N 60 113.185 113.185 113.692 -0.507 25576 336 1 1 . 1 1 60 60 ASN HA H 60 4.673 4.673 4.679 -0.006 25576 337 1 1 . 1 1 60 60 ASN C C 60 175.674 175.674 176.016 -0.342 25576 338 1 1 . 1 1 60 60 ASN CA C 60 53.935 53.935 53.471 0.464 25576 339 1 1 . 1 1 60 60 ASN CB C 60 37.217 37.217 37.645 -0.428 25576 340 1 1 . 1 1 60 60 ASN H H 60 8.424 8.424 8.431 -0.007 25576 341 1 1 . 1 1 61 61 SER N N 61 113.092 113.092 114.578 -1.486 25576 342 1 1 . 1 1 61 61 SER HA H 61 4.500 4.500 4.555 -0.055 25576 343 1 1 . 1 1 61 61 SER C C 61 173.455 173.455 173.648 -0.193 25576 344 1 1 . 1 1 61 61 SER CA C 61 59.609 59.609 60.042 -0.433 25576 345 1 1 . 1 1 61 61 SER CB C 61 64.812 64.812 64.147 0.665 25576 346 1 1 . 1 1 61 61 SER H H 61 7.931 7.931 7.644 0.287 25576 347 1 1 . 1 1 62 62 LEU N N 62 120.961 120.961 117.058 3.903 25576 348 1 1 . 1 1 62 62 LEU HA H 62 5.109 5.109 5.161 -0.052 25576 349 1 1 . 1 1 62 62 LEU C C 62 175.588 175.588 175.621 -0.033 25576 350 1 1 . 1 1 62 62 LEU CA C 62 53.575 53.575 52.949 0.626 25576 351 1 1 . 1 1 62 62 LEU CB C 62 46.262 46.262 45.057 1.205 25576 352 1 1 . 1 1 62 62 LEU H H 62 7.265 7.265 7.161 0.104 25576 353 1 1 . 1 1 63 63 ARG N N 63 120.142 120.142 119.143 0.999 25576 354 1 1 . 1 1 63 63 ARG HA H 63 4.668 4.668 4.330 0.338 25576 355 1 1 . 1 1 63 63 ARG C C 63 172.784 172.784 174.894 -2.110 25576 356 1 1 . 1 1 63 63 ARG CA C 63 54.488 54.488 54.526 -0.038 25576 357 1 1 . 1 1 63 63 ARG CB C 63 33.111 33.111 32.303 0.808 25576 358 1 1 . 1 1 63 63 ARG H H 63 8.993 8.993 8.875 0.118 25576 359 1 1 . 1 1 64 64 PHE N N 64 122.537 122.537 122.048 0.489 25576 360 1 1 . 1 1 64 64 PHE HA H 64 4.959 4.959 5.543 -0.584 25576 361 1 1 . 1 1 64 64 PHE C C 64 174.150 174.150 174.323 -0.173 25576 362 1 1 . 1 1 64 64 PHE CA C 64 56.347 56.347 54.946 1.401 25576 363 1 1 . 1 1 64 64 PHE CB C 64 40.762 40.762 39.472 1.290 25576 364 1 1 . 1 1 64 64 PHE H H 64 8.923 8.923 8.087 0.836 25576 365 1 1 . 1 1 65 65 LEU N N 65 124.212 124.212 119.900 4.312 25576 366 1 1 . 1 1 65 65 LEU HA H 65 5.290 5.290 5.698 -0.408 25576 367 1 1 . 1 1 65 65 LEU C C 65 175.903 175.903 174.402 1.501 25576 368 1 1 . 1 1 65 65 LEU CA C 65 53.729 53.729 53.399 0.330 25576 369 1 1 . 1 1 65 65 LEU CB C 65 46.385 46.385 46.238 0.147 25576 370 1 1 . 1 1 65 65 LEU H H 65 9.738 9.738 9.244 0.494 25576 371 1 1 . 1 1 66 66 PHE N N 66 119.384 119.384 120.650 -1.266 25576 372 1 1 . 1 1 66 66 PHE HA H 66 5.202 5.202 4.989 0.213 25576 373 1 1 . 1 1 66 66 PHE C C 66 175.017 175.017 174.782 0.235 25576 374 1 1 . 1 1 66 66 PHE CA C 66 56.291 56.291 57.663 -1.372 25576 375 1 1 . 1 1 66 66 PHE CB C 66 41.700 41.700 42.758 -1.058 25576 376 1 1 . 1 1 66 66 PHE H H 66 8.968 8.968 9.019 -0.051 25576 377 1 1 . 1 1 67 67 GLU N N 67 129.196 129.196 124.579 4.617 25576 378 1 1 . 1 1 67 67 GLU HA H 67 3.540 3.540 3.587 -0.047 25576 379 1 1 . 1 1 67 67 GLU C C 67 176.778 176.778 176.119 0.659 25576 380 1 1 . 1 1 67 67 GLU CA C 67 56.769 56.769 56.685 0.084 25576 381 1 1 . 1 1 67 67 GLU CB C 67 26.897 26.897 27.326 -0.429 25576 382 1 1 . 1 1 67 67 GLU H H 67 9.381 9.381 8.663 0.718 25576 383 1 1 . 1 1 68 68 GLY N N 68 103.263 103.263 105.388 -2.125 25576 384 1 1 . 1 1 68 68 GLY C C 68 173.651 173.651 173.152 0.499 25576 385 1 1 . 1 1 68 68 GLY CA C 68 45.476 45.476 44.943 0.533 25576 386 1 1 . 1 1 68 68 GLY H H 68 8.858 8.858 8.283 0.575 25576 387 1 1 . 1 1 69 69 GLN N N 69 120.732 120.732 118.179 2.553 25576 388 1 1 . 1 1 69 69 GLN HA H 69 4.589 4.589 4.709 -0.120 25576 389 1 1 . 1 1 69 69 GLN C C 69 175.204 175.204 174.497 0.707 25576 390 1 1 . 1 1 69 69 GLN CA C 69 53.776 53.776 54.186 -0.410 25576 391 1 1 . 1 1 69 69 GLN CB C 69 30.660 30.660 32.059 -1.399 25576 392 1 1 . 1 1 69 69 GLN H H 69 7.996 7.996 8.067 -0.071 25576 393 1 1 . 1 1 70 70 ARG N N 70 125.102 125.102 123.571 1.531 25576 394 1 1 . 1 1 70 70 ARG HA H 70 4.395 4.395 4.685 -0.290 25576 395 1 1 . 1 1 70 70 ARG C C 70 177.004 177.004 176.105 0.899 25576 396 1 1 . 1 1 70 70 ARG CA C 70 57.305 57.305 56.138 1.167 25576 397 1 1 . 1 1 70 70 ARG CB C 70 30.511 30.511 31.030 -0.519 25576 398 1 1 . 1 1 70 70 ARG H H 70 8.823 8.823 8.740 0.083 25576 399 1 1 . 1 1 71 71 ILE N N 71 126.949 126.949 122.249 4.700 25576 400 1 1 . 1 1 71 71 ILE HA H 71 4.477 4.477 4.702 -0.225 25576 401 1 1 . 1 1 71 71 ILE C C 71 176.145 176.145 175.984 0.161 25576 402 1 1 . 1 1 71 71 ILE CA C 71 61.337 61.337 58.830 2.507 25576 403 1 1 . 1 1 71 71 ILE CB C 71 39.067 39.067 37.073 1.994 25576 404 1 1 . 1 1 71 71 ILE H H 71 9.020 9.020 8.710 0.310 25576 405 1 1 . 1 1 72 72 ALA N N 72 139.307 139.307 130.608 8.699 25576 406 1 1 . 1 1 72 72 ALA HA H 72 4.334 4.334 4.474 -0.140 25576 407 1 1 . 1 1 72 72 ALA C C 72 177.973 177.973 177.885 0.088 25576 408 1 1 . 1 1 72 72 ALA CA C 72 50.785 50.785 50.132 0.653 25576 409 1 1 . 1 1 72 72 ALA CB C 72 18.407 18.407 20.700 -2.293 25576 410 1 1 . 1 1 72 72 ALA H H 72 10.910 10.910 7.881 3.029 25576 411 1 1 . 1 1 73 73 ASP N N 73 120.493 120.493 118.409 2.084 25576 412 1 1 . 1 1 73 73 ASP HA H 73 3.823 3.823 4.199 -0.376 25576 413 1 1 . 1 1 73 73 ASP C C 73 176.104 176.104 176.140 -0.036 25576 414 1 1 . 1 1 73 73 ASP CA C 73 57.113 57.113 56.641 0.472 25576 415 1 1 . 1 1 73 73 ASP CB C 73 40.032 40.032 40.525 -0.493 25576 416 1 1 . 1 1 73 73 ASP H H 73 8.770 8.770 8.658 0.112 25576 417 1 1 . 1 1 74 74 ASN N N 74 109.526 109.526 115.620 -6.094 25576 418 1 1 . 1 1 74 74 ASN HA H 74 4.245 4.245 3.735 0.510 25576 419 1 1 . 1 1 74 74 ASN C C 74 176.050 176.050 174.240 1.810 25576 420 1 1 . 1 1 74 74 ASN CA C 74 52.073 52.073 52.332 -0.259 25576 421 1 1 . 1 1 74 74 ASN CB C 74 37.343 37.343 38.408 -1.065 25576 422 1 1 . 1 1 74 74 ASN H H 74 7.738 7.738 8.043 -0.305 25576 423 1 1 . 1 1 75 75 HIS N N 75 119.821 119.821 120.344 -0.523 25576 424 1 1 . 1 1 75 75 HIS HA H 75 4.908 4.908 4.514 0.394 25576 425 1 1 . 1 1 75 75 HIS C C 75 175.680 175.680 174.030 1.650 25576 426 1 1 . 1 1 75 75 HIS CA C 75 56.606 56.606 55.937 0.669 25576 427 1 1 . 1 1 75 75 HIS CB C 75 33.549 33.549 31.191 2.358 25576 428 1 1 . 1 1 75 75 HIS H H 75 7.149 7.149 7.600 -0.451 25576 429 1 1 . 1 1 76 76 THR N N 76 108.304 108.304 113.755 -5.451 25576 430 1 1 . 1 1 76 76 THR HA H 76 5.197 5.197 5.199 -0.002 25576 431 1 1 . 1 1 76 76 THR CA C 76 57.594 57.594 57.661 -0.067 25576 432 1 1 . 1 1 76 76 THR CB C 76 70.033 70.033 71.216 -1.183 25576 433 1 1 . 1 1 76 76 THR H H 76 7.303 7.303 8.217 -0.914 25576 434 1 1 . 1 1 77 77 PRO HA H 77 4.241 4.241 4.155 0.086 25576 435 1 1 . 1 1 77 77 PRO C C 77 178.445 178.445 177.961 0.484 25576 436 1 1 . 1 1 77 77 PRO CA C 77 65.724 65.724 65.122 0.602 25576 437 1 1 . 1 1 77 77 PRO CB C 77 32.479 32.479 31.899 0.580 25576 438 1 1 . 1 1 78 78 LYS N N 78 115.329 115.329 116.232 -0.903 25576 439 1 1 . 1 1 78 78 LYS HA H 78 3.956 3.956 4.066 -0.110 25576 440 1 1 . 1 1 78 78 LYS C C 78 179.328 179.328 178.754 0.574 25576 441 1 1 . 1 1 78 78 LYS CA C 78 59.012 59.012 59.133 -0.121 25576 442 1 1 . 1 1 78 78 LYS CB C 78 32.845 32.845 31.626 1.219 25576 443 1 1 . 1 1 78 78 LYS H H 78 8.073 8.073 7.650 0.423 25576 444 1 1 . 1 1 79 79 GLU N N 79 120.840 120.840 119.395 1.445 25576 445 1 1 . 1 1 79 79 GLU HA H 79 3.957 3.957 4.146 -0.189 25576 446 1 1 . 1 1 79 79 GLU C C 79 178.566 178.566 178.368 0.198 25576 447 1 1 . 1 1 79 79 GLU CA C 79 58.790 58.790 58.179 0.611 25576 448 1 1 . 1 1 79 79 GLU CB C 79 30.290 30.290 29.353 0.937 25576 449 1 1 . 1 1 79 79 GLU H H 79 7.978 7.978 7.513 0.465 25576 450 1 1 . 1 1 80 80 LEU N N 80 115.072 115.072 117.793 -2.721 25576 451 1 1 . 1 1 80 80 LEU HA H 80 4.222 4.222 4.354 -0.132 25576 452 1 1 . 1 1 80 80 LEU C C 80 176.602 176.602 177.395 -0.793 25576 453 1 1 . 1 1 80 80 LEU CA C 80 54.613 54.613 54.989 -0.376 25576 454 1 1 . 1 1 80 80 LEU CB C 80 42.453 42.453 42.050 0.403 25576 455 1 1 . 1 1 80 80 LEU H H 80 7.486 7.486 7.927 -0.441 25576 456 1 1 . 1 1 81 81 GLY N N 81 108.019 108.019 107.042 0.977 25576 457 1 1 . 1 1 81 81 GLY C C 81 175.390 175.390 174.098 1.292 25576 458 1 1 . 1 1 81 81 GLY CA C 81 46.622 46.622 45.208 1.414 25576 459 1 1 . 1 1 81 81 GLY H H 81 7.644 7.644 7.323 0.321 25576 460 1 1 . 1 1 82 82 MET N N 82 117.606 117.606 118.043 -0.437 25576 461 1 1 . 1 1 82 82 MET HA H 82 4.185 4.185 4.857 -0.672 25576 462 1 1 . 1 1 82 82 MET C C 82 174.482 174.482 175.003 -0.521 25576 463 1 1 . 1 1 82 82 MET CA C 82 57.019 57.019 54.681 2.338 25576 464 1 1 . 1 1 82 82 MET CB C 82 34.089 34.089 35.866 -1.777 25576 465 1 1 . 1 1 82 82 MET H H 82 7.628 7.628 8.165 -0.537 25576 466 1 1 . 1 1 83 83 GLU N N 83 120.980 120.980 117.710 3.270 25576 467 1 1 . 1 1 83 83 GLU HA H 83 4.457 4.457 4.756 -0.299 25576 468 1 1 . 1 1 83 83 GLU C C 83 174.297 174.297 175.231 -0.934 25576 469 1 1 . 1 1 83 83 GLU CA C 83 53.875 53.875 54.273 -0.398 25576 470 1 1 . 1 1 83 83 GLU CB C 83 33.937 33.937 32.257 1.680 25576 471 1 1 . 1 1 83 83 GLU H H 83 9.314 9.314 7.957 1.357 25576 472 1 1 . 1 1 84 84 GLU N N 84 119.063 119.063 120.578 -1.515 25576 473 1 1 . 1 1 84 84 GLU HA H 84 4.199 4.199 4.209 -0.010 25576 474 1 1 . 1 1 84 84 GLU C C 84 177.527 177.527 176.559 0.968 25576 475 1 1 . 1 1 84 84 GLU CA C 84 58.549 58.549 56.998 1.552 25576 476 1 1 . 1 1 84 84 GLU CB C 84 29.993 29.993 29.167 0.826 25576 477 1 1 . 1 1 84 84 GLU H H 84 8.341 8.341 8.554 -0.213 25576 478 1 1 . 1 1 85 85 GLU N N 85 118.840 118.840 117.528 1.312 25576 479 1 1 . 1 1 85 85 GLU HA H 85 3.645 3.645 3.790 -0.145 25576 480 1 1 . 1 1 85 85 GLU C C 85 175.047 175.047 175.531 -0.484 25576 481 1 1 . 1 1 85 85 GLU CA C 85 58.846 58.846 58.037 0.809 25576 482 1 1 . 1 1 85 85 GLU CB C 85 26.691 26.691 28.967 -2.276 25576 483 1 1 . 1 1 85 85 GLU H H 85 9.357 9.357 9.036 0.321 25576 484 1 1 . 1 1 86 86 ASP N N 86 120.217 120.217 120.381 -0.164 25576 485 1 1 . 1 1 86 86 ASP HA H 86 4.880 4.880 4.626 0.254 25576 486 1 1 . 1 1 86 86 ASP C C 86 174.417 174.417 174.613 -0.196 25576 487 1 1 . 1 1 86 86 ASP CA C 86 55.822 55.822 55.828 -0.006 25576 488 1 1 . 1 1 86 86 ASP CB C 86 41.926 41.926 42.567 -0.641 25576 489 1 1 . 1 1 86 86 ASP H H 86 8.155 8.155 7.663 0.492 25576 490 1 1 . 1 1 87 87 VAL N N 87 116.641 116.641 119.971 -3.330 25576 491 1 1 . 1 1 87 87 VAL HA H 87 4.924 4.924 5.107 -0.183 25576 492 1 1 . 1 1 87 87 VAL C C 87 176.064 176.064 174.422 1.642 25576 493 1 1 . 1 1 87 87 VAL CA C 87 61.311 61.311 60.047 1.264 25576 494 1 1 . 1 1 87 87 VAL CB C 87 35.067 35.067 34.650 0.417 25576 495 1 1 . 1 1 87 87 VAL H H 87 8.191 8.191 8.227 -0.036 25576 496 1 1 . 1 1 88 88 ILE N N 88 127.353 127.353 126.514 0.839 25576 497 1 1 . 1 1 88 88 ILE HA H 88 4.845 4.845 4.693 0.152 25576 498 1 1 . 1 1 88 88 ILE C C 88 174.967 174.967 173.819 1.148 25576 499 1 1 . 1 1 88 88 ILE CA C 88 59.381 59.381 59.735 -0.354 25576 500 1 1 . 1 1 88 88 ILE CB C 88 40.984 40.984 41.087 -0.103 25576 501 1 1 . 1 1 88 88 ILE H H 88 9.165 9.165 8.976 0.189 25576 502 1 1 . 1 1 89 89 GLU N N 89 125.851 125.851 123.687 2.164 25576 503 1 1 . 1 1 89 89 GLU HA H 89 4.820 4.820 4.636 0.184 25576 504 1 1 . 1 1 89 89 GLU C C 89 175.262 175.262 174.847 0.415 25576 505 1 1 . 1 1 89 89 GLU CA C 89 55.158 55.158 54.992 0.166 25576 506 1 1 . 1 1 89 89 GLU CB C 89 33.359 33.359 32.123 1.236 25576 507 1 1 . 1 1 89 89 GLU H H 89 8.858 8.858 8.734 0.124 25576 508 1 1 . 1 1 90 90 VAL N N 90 119.735 119.735 125.535 -5.800 25576 509 1 1 . 1 1 90 90 VAL HA H 90 4.817 4.817 5.420 -0.603 25576 510 1 1 . 1 1 90 90 VAL C C 90 174.870 174.870 174.615 0.255 25576 511 1 1 . 1 1 90 90 VAL CA C 90 59.412 59.412 60.116 -0.704 25576 512 1 1 . 1 1 90 90 VAL CB C 90 34.031 34.031 34.296 -0.265 25576 513 1 1 . 1 1 90 90 VAL H H 90 7.770 7.770 8.367 -0.597 25576 514 1 1 . 1 1 91 91 TYR N N 91 124.243 124.243 123.933 0.310 25576 515 1 1 . 1 1 91 91 TYR HA H 91 4.621 4.621 4.791 -0.170 25576 516 1 1 . 1 1 91 91 TYR C C 91 174.588 174.588 174.674 -0.086 25576 517 1 1 . 1 1 91 91 TYR CA C 91 56.018 56.018 56.329 -0.311 25576 518 1 1 . 1 1 91 91 TYR CB C 91 42.641 42.641 41.930 0.711 25576 519 1 1 . 1 1 91 91 TYR H H 91 8.540 8.540 8.901 -0.361 25576 520 1 1 . 1 1 92 92 GLN N N 92 120.784 120.784 119.901 0.883 25576 521 1 1 . 1 1 92 92 GLN HA H 92 4.529 4.529 4.615 -0.086 25576 522 1 1 . 1 1 92 92 GLN C C 92 176.679 176.679 175.480 1.199 25576 523 1 1 . 1 1 92 92 GLN CA C 92 56.135 56.135 54.806 1.329 25576 524 1 1 . 1 1 92 92 GLN CB C 92 29.342 29.342 29.685 -0.343 25576 525 1 1 . 1 1 92 92 GLN H H 92 8.726 8.726 8.694 0.032 25576 526 1 1 . 1 1 93 93 GLU N N 93 125.131 125.131 124.076 1.055 25576 527 1 1 . 1 1 93 93 GLU HA H 93 4.364 4.364 4.559 -0.195 25576 528 1 1 . 1 1 93 93 GLU C C 93 176.244 176.244 176.405 -0.161 25576 529 1 1 . 1 1 93 93 GLU CA C 93 56.111 56.111 55.785 0.326 25576 530 1 1 . 1 1 93 93 GLU CB C 93 30.517 30.517 30.223 0.294 25576 531 1 1 . 1 1 93 93 GLU H H 93 8.419 8.419 8.965 -0.546 25576 532 1 1 . 1 1 94 94 GLN N N 94 122.912 122.912 120.364 2.548 25576 533 1 1 . 1 1 94 94 GLN HA H 94 4.439 4.439 4.188 0.251 25576 534 1 1 . 1 1 94 94 GLN C C 94 176.135 176.135 176.072 0.063 25576 535 1 1 . 1 1 94 94 GLN CA C 94 55.585 55.585 56.849 -1.264 25576 536 1 1 . 1 1 94 94 GLN CB C 94 29.513 29.513 29.376 0.137 25576 537 1 1 . 1 1 94 94 GLN H H 94 8.780 8.780 7.932 0.848 25576 538 1 1 . 1 1 95 95 THR N N 95 116.094 116.094 111.979 4.115 25576 539 1 1 . 1 1 95 95 THR HA H 95 4.294 4.294 4.522 -0.228 25576 540 1 1 . 1 1 95 95 THR C C 95 175.136 175.136 174.320 0.816 25576 541 1 1 . 1 1 95 95 THR CA C 95 61.971 61.971 61.331 0.640 25576 542 1 1 . 1 1 95 95 THR CB C 95 69.829 69.829 69.296 0.533 25576 543 1 1 . 1 1 95 95 THR H H 95 8.392 8.392 8.056 0.336 25576 544 1 1 . 1 1 96 96 GLY N N 96 111.858 111.858 113.905 -2.047 25576 545 1 1 . 1 1 96 96 GLY C C 96 173.704 173.704 174.577 -0.873 25576 546 1 1 . 1 1 96 96 GLY CA C 96 45.424 45.424 44.885 0.539 25576 547 1 1 . 1 1 96 96 GLY H H 96 8.508 8.508 8.753 -0.245 25576 548 1 2 . 1 1 2 2 SER N N 2 116.367 116.367 116.515 -0.148 25576 549 1 2 . 1 1 2 2 SER HA H 2 4.458 4.458 4.607 -0.149 25576 550 1 2 . 1 1 2 2 SER C C 2 174.579 174.579 174.198 0.381 25576 551 1 2 . 1 1 2 2 SER CA C 2 58.539 58.539 58.823 -0.284 25576 552 1 2 . 1 1 2 2 SER CB C 2 63.940 63.940 63.680 0.260 25576 553 1 2 . 1 1 2 2 SER H H 2 8.127 8.127 8.169 -0.042 25576 554 1 2 . 1 1 3 3 ASP N N 3 122.355 122.355 119.492 2.863 25576 555 1 2 . 1 1 3 3 ASP HA H 3 4.566 4.566 4.403 0.163 25576 556 1 2 . 1 1 3 3 ASP C C 3 176.445 176.445 175.505 0.940 25576 557 1 2 . 1 1 3 3 ASP CA C 3 54.819 54.819 55.524 -0.705 25576 558 1 2 . 1 1 3 3 ASP CB C 3 40.939 40.939 39.594 1.345 25576 559 1 2 . 1 1 3 3 ASP H H 3 8.360 8.360 8.351 0.009 25576 560 1 2 . 1 1 4 4 GLN N N 4 119.955 119.955 117.260 2.695 25576 561 1 2 . 1 1 4 4 GLN HA H 4 4.262 4.262 4.295 -0.033 25576 562 1 2 . 1 1 4 4 GLN C C 4 176.138 176.138 175.437 0.701 25576 563 1 2 . 1 1 4 4 GLN CA C 4 55.933 55.933 56.354 -0.421 25576 564 1 2 . 1 1 4 4 GLN CB C 4 29.411 29.411 29.733 -0.322 25576 565 1 2 . 1 1 4 4 GLN H H 4 8.250 8.250 8.170 0.080 25576 566 1 2 . 1 1 5 5 GLU N N 5 121.392 121.392 119.722 1.670 25576 567 1 2 . 1 1 5 5 GLU HA H 5 4.203 4.203 4.660 -0.457 25576 568 1 2 . 1 1 5 5 GLU C C 5 176.137 176.137 174.775 1.362 25576 569 1 2 . 1 1 5 5 GLU CA C 5 56.480 56.480 55.276 1.204 25576 570 1 2 . 1 1 5 5 GLU CB C 5 30.261 30.261 30.849 -0.588 25576 571 1 2 . 1 1 5 5 GLU H H 5 8.292 8.292 8.031 0.261 25576 572 1 2 . 1 1 6 6 ALA N N 6 125.339 125.339 123.830 1.509 25576 573 1 2 . 1 1 6 6 ALA HA H 6 4.261 4.261 4.598 -0.337 25576 574 1 2 . 1 1 6 6 ALA C C 6 177.348 177.348 175.964 1.384 25576 575 1 2 . 1 1 6 6 ALA CA C 6 52.319 52.319 52.167 0.152 25576 576 1 2 . 1 1 6 6 ALA CB C 6 19.120 19.120 20.180 -1.060 25576 577 1 2 . 1 1 6 6 ALA H H 6 8.253 8.253 8.265 -0.012 25576 578 1 2 . 1 1 7 7 LYS N N 7 122.299 122.299 119.583 2.716 25576 579 1 2 . 1 1 7 7 LYS HA H 7 4.573 4.573 4.776 -0.203 25576 580 1 2 . 1 1 7 7 LYS CA C 7 54.062 54.062 53.310 0.752 25576 581 1 2 . 1 1 7 7 LYS CB C 7 32.588 32.588 31.932 0.656 25576 582 1 2 . 1 1 7 7 LYS H H 7 8.302 8.302 8.260 0.042 25576 583 1 2 . 1 1 8 8 PRO HA H 8 4.425 4.425 4.366 0.059 25576 584 1 2 . 1 1 8 8 PRO C C 8 177.020 177.020 177.748 -0.728 25576 585 1 2 . 1 1 8 8 PRO CA C 8 63.029 63.029 62.909 0.120 25576 586 1 2 . 1 1 8 8 PRO CB C 8 32.158 32.158 32.308 -0.150 25576 587 1 2 . 1 1 9 9 SER N N 9 116.888 116.888 118.279 -1.391 25576 588 1 2 . 1 1 9 9 SER HA H 9 4.479 4.479 4.185 0.294 25576 589 1 2 . 1 1 9 9 SER C C 9 174.261 174.261 175.554 -1.293 25576 590 1 2 . 1 1 9 9 SER CA C 9 58.299 58.299 60.970 -2.671 25576 591 1 2 . 1 1 9 9 SER CB C 9 63.848 63.848 63.231 0.617 25576 592 1 2 . 1 1 9 9 SER H H 9 8.596 8.596 8.681 -0.085 25576 593 1 2 . 1 1 10 10 THR N N 10 115.838 115.838 113.961 1.877 25576 594 1 2 . 1 1 10 10 THR HA H 10 4.334 4.334 4.088 0.246 25576 595 1 2 . 1 1 10 10 THR C C 10 176.158 176.158 174.570 1.588 25576 596 1 2 . 1 1 10 10 THR CA C 10 61.966 61.966 63.144 -1.178 25576 597 1 2 . 1 1 10 10 THR CB C 10 69.581 69.581 68.892 0.689 25576 598 1 2 . 1 1 10 10 THR H H 10 8.247 8.247 7.829 0.418 25576 599 1 2 . 1 1 11 11 GLU N N 11 122.975 122.975 120.948 2.027 25576 600 1 2 . 1 1 11 11 GLU HA H 11 4.237 4.237 4.322 -0.085 25576 601 1 2 . 1 1 11 11 GLU C C 11 175.920 175.920 177.780 -1.860 25576 602 1 2 . 1 1 11 11 GLU CA C 11 56.779 56.779 55.903 0.876 25576 603 1 2 . 1 1 11 11 GLU CB C 11 29.869 29.869 30.574 -0.705 25576 604 1 2 . 1 1 11 11 GLU H H 11 8.355 8.355 7.531 0.824 25576 605 1 2 . 1 1 12 12 ASP N N 12 122.117 122.117 125.420 -3.303 25576 606 1 2 . 1 1 12 12 ASP HA H 12 4.562 4.562 4.406 0.156 25576 607 1 2 . 1 1 12 12 ASP C C 12 176.402 176.402 176.923 -0.521 25576 608 1 2 . 1 1 12 12 ASP CA C 12 54.224 54.224 56.665 -2.441 25576 609 1 2 . 1 1 12 12 ASP CB C 12 41.161 41.161 40.990 0.171 25576 610 1 2 . 1 1 12 12 ASP H H 12 8.411 8.411 8.724 -0.313 25576 611 1 2 . 1 1 13 13 LEU N N 13 123.695 123.695 118.359 5.336 25576 612 1 2 . 1 1 13 13 LEU HA H 13 4.306 4.306 4.611 -0.305 25576 613 1 2 . 1 1 13 13 LEU C C 13 178.231 178.231 176.632 1.599 25576 614 1 2 . 1 1 13 13 LEU CA C 13 55.384 55.384 54.623 0.761 25576 615 1 2 . 1 1 13 13 LEU CB C 13 42.132 42.132 43.316 -1.184 25576 616 1 2 . 1 1 13 13 LEU H H 13 8.391 8.391 7.480 0.911 25576 617 1 2 . 1 1 14 14 GLY N N 14 108.928 108.928 106.033 2.895 25576 618 1 2 . 1 1 14 14 GLY C C 14 174.014 174.014 173.183 0.831 25576 619 1 2 . 1 1 14 14 GLY CA C 14 45.600 45.600 44.962 0.638 25576 620 1 2 . 1 1 14 14 GLY H H 14 8.456 8.456 8.586 -0.130 25576 621 1 2 . 1 1 15 15 ASP N N 15 120.427 120.427 117.776 2.651 25576 622 1 2 . 1 1 15 15 ASP HA H 15 4.544 4.544 4.665 -0.121 25576 623 1 2 . 1 1 15 15 ASP C C 15 176.810 176.810 175.948 0.862 25576 624 1 2 . 1 1 15 15 ASP CA C 15 54.389 54.389 53.774 0.615 25576 625 1 2 . 1 1 15 15 ASP CB C 15 41.153 41.153 41.868 -0.715 25576 626 1 2 . 1 1 15 15 ASP H H 15 8.207 8.207 8.150 0.057 25576 627 1 2 . 1 1 16 16 LYS N N 16 121.257 121.257 121.645 -0.388 25576 628 1 2 . 1 1 16 16 LYS HA H 16 4.269 4.269 4.600 -0.331 25576 629 1 2 . 1 1 16 16 LYS C C 16 176.470 176.470 176.437 0.033 25576 630 1 2 . 1 1 16 16 LYS CA C 16 56.579 56.579 55.499 1.080 25576 631 1 2 . 1 1 16 16 LYS CB C 16 29.470 29.470 34.245 -4.775 25576 632 1 2 . 1 1 16 16 LYS H H 16 8.302 8.302 8.258 0.044 25576 633 1 2 . 1 1 17 17 LYS N N 17 122.205 122.205 122.036 0.169 25576 634 1 2 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.431 -0.164 25576 635 1 2 . 1 1 17 17 LYS C C 17 176.837 176.837 176.456 0.381 25576 636 1 2 . 1 1 17 17 LYS CA C 17 56.177 56.177 55.814 0.363 25576 637 1 2 . 1 1 17 17 LYS CB C 17 32.684 32.684 33.368 -0.684 25576 638 1 2 . 1 1 17 17 LYS H H 17 8.383 8.383 8.464 -0.081 25576 639 1 2 . 1 1 18 18 GLU N N 18 121.859 121.859 119.237 2.622 25576 640 1 2 . 1 1 18 18 GLU HA H 18 4.252 4.252 4.643 -0.391 25576 641 1 2 . 1 1 18 18 GLU C C 18 176.964 176.964 175.883 1.081 25576 642 1 2 . 1 1 18 18 GLU CA C 18 57.094 57.094 56.060 1.034 25576 643 1 2 . 1 1 18 18 GLU CB C 18 30.261 30.261 31.236 -0.975 25576 644 1 2 . 1 1 18 18 GLU H H 18 8.497 8.497 8.517 -0.020 25576 645 1 2 . 1 1 19 19 GLY N N 19 109.716 109.716 109.468 0.248 25576 646 1 2 . 1 1 19 19 GLY C C 19 173.520 173.520 174.354 -0.834 25576 647 1 2 . 1 1 19 19 GLY CA C 19 45.386 45.386 45.592 -0.205 25576 648 1 2 . 1 1 19 19 GLY H H 19 8.447 8.447 8.626 -0.179 25576 649 1 2 . 1 1 20 20 GLU N N 20 119.640 119.640 121.072 -1.432 25576 650 1 2 . 1 1 20 20 GLU HA H 20 4.255 4.255 4.027 0.228 25576 651 1 2 . 1 1 20 20 GLU C C 20 175.453 175.453 177.048 -1.595 25576 652 1 2 . 1 1 20 20 GLU CA C 20 56.726 56.726 57.661 -0.935 25576 653 1 2 . 1 1 20 20 GLU CB C 20 30.806 30.806 29.588 1.218 25576 654 1 2 . 1 1 20 20 GLU H H 20 8.227 8.227 8.746 -0.519 25576 655 1 2 . 1 1 21 21 TYR N N 21 119.301 119.301 115.103 4.198 25576 656 1 2 . 1 1 21 21 TYR HA H 21 5.083 5.083 4.586 0.497 25576 657 1 2 . 1 1 21 21 TYR C C 21 175.805 175.805 174.991 0.814 25576 658 1 2 . 1 1 21 21 TYR CA C 21 57.427 57.427 57.148 0.279 25576 659 1 2 . 1 1 21 21 TYR CB C 21 41.620 41.620 38.893 2.727 25576 660 1 2 . 1 1 21 21 TYR H H 21 8.367 8.367 7.629 0.738 25576 661 1 2 . 1 1 22 22 ILE N N 22 116.642 116.642 114.412 2.230 25576 662 1 2 . 1 1 22 22 ILE HA H 22 4.787 4.787 4.592 0.195 25576 663 1 2 . 1 1 22 22 ILE C C 22 173.467 173.467 174.400 -0.933 25576 664 1 2 . 1 1 22 22 ILE CA C 22 59.685 59.685 59.240 0.445 25576 665 1 2 . 1 1 22 22 ILE CB C 22 42.383 42.383 42.147 0.236 25576 666 1 2 . 1 1 22 22 ILE H H 22 9.151 9.151 8.961 0.190 25576 667 1 2 . 1 1 23 23 LYS N N 23 124.306 124.306 119.484 4.822 25576 668 1 2 . 1 1 23 23 LYS HA H 23 5.289 5.289 5.173 0.116 25576 669 1 2 . 1 1 23 23 LYS C C 23 175.553 175.553 175.694 -0.141 25576 670 1 2 . 1 1 23 23 LYS CA C 23 55.629 55.629 55.418 0.211 25576 671 1 2 . 1 1 23 23 LYS CB C 23 33.744 33.744 34.869 -1.125 25576 672 1 2 . 1 1 23 23 LYS H H 23 8.623 8.623 8.261 0.362 25576 673 1 2 . 1 1 24 24 LEU N N 24 124.177 124.177 121.453 2.724 25576 674 1 2 . 1 1 24 24 LEU HA H 24 4.974 4.974 5.109 -0.135 25576 675 1 2 . 1 1 24 24 LEU C C 24 175.910 175.910 174.350 1.560 25576 676 1 2 . 1 1 24 24 LEU CA C 24 52.835 52.835 54.112 -1.277 25576 677 1 2 . 1 1 24 24 LEU CB C 24 46.661 46.661 47.347 -0.686 25576 678 1 2 . 1 1 24 24 LEU H H 24 8.940 8.940 9.038 -0.098 25576 679 1 2 . 1 1 25 25 LYS N N 25 120.635 120.635 120.332 0.303 25576 680 1 2 . 1 1 25 25 LYS HA H 25 4.714 4.714 4.725 -0.011 25576 681 1 2 . 1 1 25 25 LYS C C 25 174.125 174.125 173.913 0.212 25576 682 1 2 . 1 1 25 25 LYS CA C 25 55.122 55.122 53.697 1.425 25576 683 1 2 . 1 1 25 25 LYS CB C 25 34.919 34.919 36.501 -1.582 25576 684 1 2 . 1 1 25 25 LYS H H 25 8.621 8.621 8.519 0.102 25576 685 1 2 . 1 1 26 26 VAL N N 26 124.130 124.130 124.341 -0.211 25576 686 1 2 . 1 1 26 26 VAL HA H 26 5.043 5.043 4.763 0.280 25576 687 1 2 . 1 1 26 26 VAL C C 26 176.195 176.195 174.544 1.651 25576 688 1 2 . 1 1 26 26 VAL CA C 26 61.193 61.193 59.944 1.248 25576 689 1 2 . 1 1 26 26 VAL CB C 26 32.270 32.270 35.265 -2.995 25576 690 1 2 . 1 1 26 26 VAL H H 26 9.113 9.113 8.675 0.438 25576 691 1 2 . 1 1 27 27 ILE N N 27 128.245 128.245 126.933 1.312 25576 692 1 2 . 1 1 27 27 ILE HA H 27 5.012 5.012 4.475 0.537 25576 693 1 2 . 1 1 27 27 ILE C C 27 175.976 175.976 175.084 0.892 25576 694 1 2 . 1 1 27 27 ILE CA C 27 59.910 59.910 58.643 1.267 25576 695 1 2 . 1 1 27 27 ILE CB C 27 39.851 39.851 37.763 2.088 25576 696 1 2 . 1 1 27 27 ILE H H 27 9.063 9.063 8.408 0.655 25576 697 1 2 . 1 1 28 28 GLY N N 28 113.332 113.332 112.375 0.957 25576 698 1 2 . 1 1 28 28 GLY C C 28 175.505 175.505 175.383 0.122 25576 699 1 2 . 1 1 28 28 GLY CA C 28 43.958 43.958 43.730 0.228 25576 700 1 2 . 1 1 28 28 GLY H H 28 8.485 8.485 8.099 0.386 25576 701 1 2 . 1 1 29 29 GLN N N 29 120.493 120.493 119.695 0.798 25576 702 1 2 . 1 1 29 29 GLN HA H 29 4.113 4.113 4.068 0.045 25576 703 1 2 . 1 1 29 29 GLN C C 29 176.003 176.003 176.583 -0.580 25576 704 1 2 . 1 1 29 29 GLN CA C 29 57.808 57.808 58.084 -0.276 25576 705 1 2 . 1 1 29 29 GLN CB C 29 28.735 28.735 28.324 0.411 25576 706 1 2 . 1 1 29 29 GLN H H 29 8.768 8.768 8.738 0.030 25576 707 1 2 . 1 1 30 30 ASP N N 30 118.342 118.342 117.406 0.936 25576 708 1 2 . 1 1 30 30 ASP HA H 30 4.537 4.537 4.691 -0.154 25576 709 1 2 . 1 1 30 30 ASP C C 30 176.461 176.461 175.815 0.646 25576 710 1 2 . 1 1 30 30 ASP CA C 30 53.271 53.271 53.379 -0.108 25576 711 1 2 . 1 1 30 30 ASP CB C 30 39.867 39.867 40.817 -0.950 25576 712 1 2 . 1 1 30 30 ASP H H 30 8.335 8.335 7.989 0.346 25576 713 1 2 . 1 1 31 31 SER N N 31 111.069 111.069 112.185 -1.116 25576 714 1 2 . 1 1 31 31 SER HA H 31 4.044 4.044 4.120 -0.076 25576 715 1 2 . 1 1 31 31 SER C C 31 173.554 173.554 173.297 0.257 25576 716 1 2 . 1 1 31 31 SER CA C 31 60.529 60.529 59.207 1.322 25576 717 1 2 . 1 1 31 31 SER CB C 31 62.268 62.268 62.299 -0.031 25576 718 1 2 . 1 1 31 31 SER H H 31 7.997 7.997 7.963 0.034 25576 719 1 2 . 1 1 32 32 SER N N 32 117.489 117.489 116.974 0.515 25576 720 1 2 . 1 1 32 32 SER HA H 32 4.380 4.380 4.386 -0.006 25576 721 1 2 . 1 1 32 32 SER C C 32 173.550 173.550 174.342 -0.792 25576 722 1 2 . 1 1 32 32 SER CA C 32 58.590 58.590 58.748 -0.158 25576 723 1 2 . 1 1 32 32 SER CB C 32 64.008 64.008 63.739 0.269 25576 724 1 2 . 1 1 32 32 SER H H 32 8.081 8.081 7.934 0.147 25576 725 1 2 . 1 1 33 33 GLU N N 33 121.738 121.738 129.177 -7.439 25576 726 1 2 . 1 1 33 33 GLU HA H 33 5.131 5.131 5.170 -0.039 25576 727 1 2 . 1 1 33 33 GLU C C 33 175.317 175.317 175.889 -0.572 25576 728 1 2 . 1 1 33 33 GLU CA C 33 55.212 55.212 55.524 -0.312 25576 729 1 2 . 1 1 33 33 GLU CB C 33 32.596 32.596 30.544 2.052 25576 730 1 2 . 1 1 33 33 GLU H H 33 8.616 8.616 8.607 0.009 25576 731 1 2 . 1 1 34 34 ILE N N 34 124.389 124.389 125.140 -0.751 25576 732 1 2 . 1 1 34 34 ILE HA H 34 4.359 4.359 4.489 -0.130 25576 733 1 2 . 1 1 34 34 ILE C C 34 174.612 174.612 174.955 -0.343 25576 734 1 2 . 1 1 34 34 ILE CA C 34 60.266 60.266 59.492 0.774 25576 735 1 2 . 1 1 34 34 ILE CB C 34 40.906 40.906 39.656 1.250 25576 736 1 2 . 1 1 34 34 ILE H H 34 8.670 8.670 8.494 0.176 25576 737 1 2 . 1 1 35 35 HIS N N 35 125.683 125.683 124.990 0.693 25576 738 1 2 . 1 1 35 35 HIS HA H 35 5.597 5.597 4.865 0.732 25576 739 1 2 . 1 1 35 35 HIS C C 35 174.902 174.902 174.615 0.287 25576 740 1 2 . 1 1 35 35 HIS CA C 35 54.765 54.765 54.087 0.678 25576 741 1 2 . 1 1 35 35 HIS CB C 35 32.411 32.411 32.533 -0.122 25576 742 1 2 . 1 1 35 35 HIS H H 35 8.699 8.699 8.701 -0.002 25576 743 1 2 . 1 1 36 36 PHE N N 36 119.920 119.920 120.079 -0.159 25576 744 1 2 . 1 1 36 36 PHE HA H 36 4.949 4.949 5.020 -0.071 25576 745 1 2 . 1 1 36 36 PHE C C 36 174.000 174.000 173.420 0.580 25576 746 1 2 . 1 1 36 36 PHE CA C 36 57.003 57.003 56.111 0.891 25576 747 1 2 . 1 1 36 36 PHE CB C 36 44.431 44.431 41.077 3.354 25576 748 1 2 . 1 1 36 36 PHE H H 36 9.103 9.103 8.242 0.861 25576 749 1 2 . 1 1 37 37 LYS N N 37 123.747 123.747 121.901 1.846 25576 750 1 2 . 1 1 37 37 LYS HA H 37 4.294 4.294 5.237 -0.943 25576 751 1 2 . 1 1 37 37 LYS C C 37 176.145 176.145 175.195 0.950 25576 752 1 2 . 1 1 37 37 LYS CA C 37 55.448 55.448 55.533 -0.085 25576 753 1 2 . 1 1 37 37 LYS CB C 37 33.467 33.467 34.302 -0.835 25576 754 1 2 . 1 1 37 37 LYS H H 37 8.787 8.787 8.554 0.233 25576 755 1 2 . 1 1 38 38 VAL N N 38 119.736 119.736 119.245 0.491 25576 756 1 2 . 1 1 38 38 VAL HA H 38 4.957 4.957 4.677 0.280 25576 757 1 2 . 1 1 38 38 VAL C C 38 174.245 174.245 174.091 0.154 25576 758 1 2 . 1 1 38 38 VAL CA C 38 58.935 58.935 59.582 -0.647 25576 759 1 2 . 1 1 38 38 VAL CB C 38 35.429 35.429 35.332 0.097 25576 760 1 2 . 1 1 38 38 VAL H H 38 9.138 9.138 8.830 0.308 25576 761 1 2 . 1 1 39 39 LYS N N 39 122.359 122.359 122.734 -0.375 25576 762 1 2 . 1 1 39 39 LYS HA H 39 3.837 3.837 4.463 -0.626 25576 763 1 2 . 1 1 39 39 LYS C C 39 179.383 179.383 178.161 1.222 25576 764 1 2 . 1 1 39 39 LYS CA C 39 56.814 56.814 55.991 0.823 25576 765 1 2 . 1 1 39 39 LYS CB C 39 30.576 30.576 34.131 -3.555 25576 766 1 2 . 1 1 39 39 LYS H H 39 8.611 8.611 8.380 0.231 25576 767 1 2 . 1 1 40 40 MET N N 40 119.929 119.929 119.610 0.319 25576 768 1 2 . 1 1 40 40 MET HA H 40 4.103 4.103 4.365 -0.262 25576 769 1 2 . 1 1 40 40 MET C C 40 176.546 176.546 177.378 -0.832 25576 770 1 2 . 1 1 40 40 MET CA C 40 57.320 57.320 58.880 -1.560 25576 771 1 2 . 1 1 40 40 MET CB C 40 30.903 30.903 32.270 -1.367 25576 772 1 2 . 1 1 40 40 MET H H 40 8.562 8.562 8.966 -0.404 25576 773 1 2 . 1 1 41 41 THR N N 41 100.263 100.263 111.025 -10.762 25576 774 1 2 . 1 1 41 41 THR HA H 41 4.349 4.349 4.432 -0.083 25576 775 1 2 . 1 1 41 41 THR C C 41 174.506 174.506 174.308 0.198 25576 776 1 2 . 1 1 41 41 THR CA C 41 60.147 60.147 61.377 -1.230 25576 777 1 2 . 1 1 41 41 THR CB C 41 68.836 68.836 68.603 0.233 25576 778 1 2 . 1 1 41 41 THR H H 41 6.974 6.974 7.914 -0.940 25576 779 1 2 . 1 1 42 42 THR N N 42 120.616 120.616 115.923 4.693 25576 780 1 2 . 1 1 42 42 THR HA H 42 4.187 4.187 4.338 -0.151 25576 781 1 2 . 1 1 42 42 THR C C 42 174.052 174.052 172.952 1.100 25576 782 1 2 . 1 1 42 42 THR CA C 42 63.153 63.153 60.680 2.473 25576 783 1 2 . 1 1 42 42 THR CB C 42 69.645 69.645 69.931 -0.286 25576 784 1 2 . 1 1 42 42 THR H H 42 7.192 7.192 7.436 -0.244 25576 785 1 2 . 1 1 43 43 HIS N N 43 126.236 126.236 120.205 6.031 25576 786 1 2 . 1 1 43 43 HIS HA H 43 4.411 4.411 4.606 -0.195 25576 787 1 2 . 1 1 43 43 HIS C C 43 178.431 178.431 176.551 1.880 25576 788 1 2 . 1 1 43 43 HIS CA C 43 57.366 57.366 55.849 1.517 25576 789 1 2 . 1 1 43 43 HIS CB C 43 30.155 30.155 31.027 -0.872 25576 790 1 2 . 1 1 43 43 HIS H H 43 8.807 8.807 8.529 0.278 25576 791 1 2 . 1 1 44 44 LEU N N 44 124.757 124.757 124.568 0.189 25576 792 1 2 . 1 1 44 44 LEU HA H 44 3.983 3.983 4.144 -0.161 25576 793 1 2 . 1 1 44 44 LEU C C 44 177.051 177.051 177.925 -0.874 25576 794 1 2 . 1 1 44 44 LEU CA C 44 58.790 58.790 55.501 3.289 25576 795 1 2 . 1 1 44 44 LEU CB C 44 41.240 41.240 40.949 0.291 25576 796 1 2 . 1 1 44 44 LEU H H 44 9.349 9.349 9.035 0.314 25576 797 1 2 . 1 1 45 45 LYS N N 45 121.424 121.424 119.279 2.145 25576 798 1 2 . 1 1 45 45 LYS HA H 45 3.584 3.584 3.861 -0.277 25576 799 1 2 . 1 1 45 45 LYS C C 45 176.867 176.867 178.145 -1.278 25576 800 1 2 . 1 1 45 45 LYS CA C 45 60.662 60.662 59.232 1.430 25576 801 1 2 . 1 1 45 45 LYS CB C 45 33.389 33.389 31.178 2.211 25576 802 1 2 . 1 1 45 45 LYS H H 45 8.543 8.543 7.722 0.821 25576 803 1 2 . 1 1 46 46 LYS N N 46 114.033 114.033 118.647 -4.614 25576 804 1 2 . 1 1 46 46 LYS HA H 46 4.087 4.087 4.070 0.017 25576 805 1 2 . 1 1 46 46 LYS C C 46 178.977 178.977 177.990 0.987 25576 806 1 2 . 1 1 46 46 LYS CA C 46 58.615 58.615 59.160 -0.545 25576 807 1 2 . 1 1 46 46 LYS CB C 46 31.643 31.643 31.626 0.017 25576 808 1 2 . 1 1 46 46 LYS H H 46 7.517 7.517 7.372 0.145 25576 809 1 2 . 1 1 47 47 LEU N N 47 121.871 121.871 121.152 0.719 25576 810 1 2 . 1 1 47 47 LEU HA H 47 3.660 3.660 3.859 -0.199 25576 811 1 2 . 1 1 47 47 LEU C C 47 177.575 177.575 177.878 -0.303 25576 812 1 2 . 1 1 47 47 LEU CA C 47 58.514 58.514 57.544 0.970 25576 813 1 2 . 1 1 47 47 LEU CB C 47 41.890 41.890 41.825 0.065 25576 814 1 2 . 1 1 47 47 LEU H H 47 6.739 6.739 7.333 -0.594 25576 815 1 2 . 1 1 48 48 LYS N N 48 118.246 118.246 118.474 -0.228 25576 816 1 2 . 1 1 48 48 LYS HA H 48 3.081 3.081 4.114 -1.033 25576 817 1 2 . 1 1 48 48 LYS C C 48 178.700 178.700 178.714 -0.014 25576 818 1 2 . 1 1 48 48 LYS CA C 48 59.712 59.712 59.577 0.135 25576 819 1 2 . 1 1 48 48 LYS CB C 48 32.411 32.411 31.566 0.845 25576 820 1 2 . 1 1 48 48 LYS H H 48 7.556 7.556 8.411 -0.855 25576 821 1 2 . 1 1 49 49 GLU N N 49 118.092 118.092 119.120 -1.028 25576 822 1 2 . 1 1 49 49 GLU HA H 49 3.973 3.973 3.981 -0.008 25576 823 1 2 . 1 1 49 49 GLU C C 49 179.453 179.453 178.676 0.777 25576 824 1 2 . 1 1 49 49 GLU CA C 49 59.627 59.627 58.533 1.094 25576 825 1 2 . 1 1 49 49 GLU CB C 49 30.120 30.120 28.713 1.407 25576 826 1 2 . 1 1 49 49 GLU H H 49 8.500 8.500 8.053 0.447 25576 827 1 2 . 1 1 50 50 SER N N 50 115.646 115.646 116.825 -1.179 25576 828 1 2 . 1 1 50 50 SER HA H 50 4.260 4.260 4.163 0.097 25576 829 1 2 . 1 1 50 50 SER C C 50 177.171 177.171 176.790 0.381 25576 830 1 2 . 1 1 50 50 SER CA C 50 61.947 61.947 61.358 0.589 25576 831 1 2 . 1 1 50 50 SER CB C 50 63.258 63.258 63.177 0.081 25576 832 1 2 . 1 1 50 50 SER H H 50 7.966 7.966 7.624 0.342 25576 833 1 2 . 1 1 51 51 TYR N N 51 122.610 122.610 119.372 3.238 25576 834 1 2 . 1 1 51 51 TYR HA H 51 4.026 4.026 4.453 -0.427 25576 835 1 2 . 1 1 51 51 TYR C C 51 177.374 177.374 177.110 0.264 25576 836 1 2 . 1 1 51 51 TYR CA C 51 63.608 63.608 59.683 3.925 25576 837 1 2 . 1 1 51 51 TYR CB C 51 38.618 38.618 37.684 0.934 25576 838 1 2 . 1 1 51 51 TYR H H 51 8.833 8.833 8.074 0.759 25576 839 1 2 . 1 1 52 52 CYS N N 52 117.395 117.395 119.489 -2.094 25576 840 1 2 . 1 1 52 52 CYS HA H 52 3.915 3.915 3.771 0.144 25576 841 1 2 . 1 1 52 52 CYS C C 52 177.182 177.182 176.507 0.675 25576 842 1 2 . 1 1 52 52 CYS CA C 52 65.108 65.108 64.368 0.740 25576 843 1 2 . 1 1 52 52 CYS CB C 52 26.151 26.151 27.187 -1.036 25576 844 1 2 . 1 1 52 52 CYS H H 52 8.676 8.676 7.301 1.375 25576 845 1 2 . 1 1 53 53 GLN N N 53 119.196 119.196 119.195 0.001 25576 846 1 2 . 1 1 53 53 GLN HA H 53 4.109 4.109 3.972 0.137 25576 847 1 2 . 1 1 53 53 GLN C C 53 179.105 179.105 178.089 1.016 25576 848 1 2 . 1 1 53 53 GLN CA C 53 58.973 58.973 58.361 0.612 25576 849 1 2 . 1 1 53 53 GLN CB C 53 28.211 28.211 27.995 0.216 25576 850 1 2 . 1 1 53 53 GLN H H 53 8.322 8.322 8.068 0.254 25576 851 1 2 . 1 1 54 54 ARG N N 54 120.139 120.139 119.619 0.520 25576 852 1 2 . 1 1 54 54 ARG HA H 54 4.018 4.018 4.120 -0.102 25576 853 1 2 . 1 1 54 54 ARG C C 54 178.300 178.300 178.616 -0.316 25576 854 1 2 . 1 1 54 54 ARG CA C 54 58.552 58.552 58.389 0.163 25576 855 1 2 . 1 1 54 54 ARG CB C 54 29.669 29.669 29.930 -0.261 25576 856 1 2 . 1 1 54 54 ARG H H 54 8.011 8.011 7.741 0.270 25576 857 1 2 . 1 1 55 55 GLN N N 55 114.160 114.160 116.423 -2.263 25576 858 1 2 . 1 1 55 55 GLN HA H 55 4.251 4.251 4.330 -0.079 25576 859 1 2 . 1 1 55 55 GLN C C 55 176.410 176.410 176.738 -0.328 25576 860 1 2 . 1 1 55 55 GLN CA C 55 55.119 55.119 56.816 -1.697 25576 861 1 2 . 1 1 55 55 GLN CB C 55 29.424 29.424 29.412 0.012 25576 862 1 2 . 1 1 55 55 GLN H H 55 7.806 7.806 7.738 0.068 25576 863 1 2 . 1 1 56 56 GLY N N 56 109.749 109.749 107.114 2.635 25576 864 1 2 . 1 1 56 56 GLY C C 56 174.908 174.908 174.027 0.881 25576 865 1 2 . 1 1 56 56 GLY CA C 56 46.658 46.658 45.121 1.537 25576 866 1 2 . 1 1 56 56 GLY H H 56 7.932 7.932 7.680 0.252 25576 867 1 2 . 1 1 57 57 VAL N N 57 111.990 111.990 116.401 -4.411 25576 868 1 2 . 1 1 57 57 VAL HA H 57 4.941 4.941 4.697 0.244 25576 869 1 2 . 1 1 57 57 VAL CA C 57 57.534 57.534 57.798 -0.264 25576 870 1 2 . 1 1 57 57 VAL CB C 57 32.697 32.697 33.464 -0.767 25576 871 1 2 . 1 1 57 57 VAL H H 57 7.651 7.651 7.545 0.106 25576 872 1 2 . 1 1 58 58 PRO HA H 58 4.528 4.528 4.657 -0.129 25576 873 1 2 . 1 1 58 58 PRO C C 58 179.169 179.169 177.075 2.094 25576 874 1 2 . 1 1 58 58 PRO CA C 58 62.211 62.211 62.893 -0.682 25576 875 1 2 . 1 1 58 58 PRO CB C 58 32.543 32.543 32.550 -0.007 25576 876 1 2 . 1 1 59 59 MET N N 59 124.522 124.522 119.044 5.478 25576 877 1 2 . 1 1 59 59 MET HA H 59 4.703 4.703 4.224 0.479 25576 878 1 2 . 1 1 59 59 MET C C 59 177.459 177.459 175.799 1.660 25576 879 1 2 . 1 1 59 59 MET CA C 59 58.247 58.247 57.667 0.580 25576 880 1 2 . 1 1 59 59 MET CB C 59 32.795 32.795 32.453 0.342 25576 881 1 2 . 1 1 59 59 MET H H 59 9.002 9.002 8.554 0.448 25576 882 1 2 . 1 1 60 60 ASN N N 60 113.185 113.185 112.701 0.484 25576 883 1 2 . 1 1 60 60 ASN HA H 60 4.673 4.673 4.625 0.048 25576 884 1 2 . 1 1 60 60 ASN C C 60 175.674 175.674 175.816 -0.142 25576 885 1 2 . 1 1 60 60 ASN CA C 60 53.935 53.935 54.087 -0.152 25576 886 1 2 . 1 1 60 60 ASN CB C 60 37.217 37.217 38.355 -1.138 25576 887 1 2 . 1 1 60 60 ASN H H 60 8.424 8.424 8.147 0.277 25576 888 1 2 . 1 1 61 61 SER N N 61 113.092 113.092 114.880 -1.788 25576 889 1 2 . 1 1 61 61 SER HA H 61 4.500 4.500 4.438 0.062 25576 890 1 2 . 1 1 61 61 SER C C 61 173.455 173.455 173.156 0.299 25576 891 1 2 . 1 1 61 61 SER CA C 61 59.609 59.609 60.240 -0.631 25576 892 1 2 . 1 1 61 61 SER CB C 61 64.812 64.812 64.203 0.609 25576 893 1 2 . 1 1 61 61 SER H H 61 7.931 7.931 7.712 0.219 25576 894 1 2 . 1 1 62 62 LEU N N 62 120.961 120.961 115.382 5.579 25576 895 1 2 . 1 1 62 62 LEU HA H 62 5.109 5.109 4.824 0.285 25576 896 1 2 . 1 1 62 62 LEU C C 62 175.588 175.588 175.371 0.217 25576 897 1 2 . 1 1 62 62 LEU CA C 62 53.575 53.575 52.842 0.733 25576 898 1 2 . 1 1 62 62 LEU CB C 62 46.262 46.262 44.926 1.336 25576 899 1 2 . 1 1 62 62 LEU H H 62 7.265 7.265 7.091 0.174 25576 900 1 2 . 1 1 63 63 ARG N N 63 120.142 120.142 119.722 0.420 25576 901 1 2 . 1 1 63 63 ARG HA H 63 4.668 4.668 4.406 0.262 25576 902 1 2 . 1 1 63 63 ARG C C 63 172.784 172.784 174.963 -2.179 25576 903 1 2 . 1 1 63 63 ARG CA C 63 54.488 54.488 54.664 -0.176 25576 904 1 2 . 1 1 63 63 ARG CB C 63 33.111 33.111 32.352 0.759 25576 905 1 2 . 1 1 63 63 ARG H H 63 8.993 8.993 8.916 0.077 25576 906 1 2 . 1 1 64 64 PHE N N 64 122.537 122.537 122.931 -0.394 25576 907 1 2 . 1 1 64 64 PHE HA H 64 4.959 4.959 5.518 -0.559 25576 908 1 2 . 1 1 64 64 PHE C C 64 174.150 174.150 174.375 -0.225 25576 909 1 2 . 1 1 64 64 PHE CA C 64 56.347 56.347 54.890 1.457 25576 910 1 2 . 1 1 64 64 PHE CB C 64 40.762 40.762 39.481 1.281 25576 911 1 2 . 1 1 64 64 PHE H H 64 8.923 8.923 8.062 0.861 25576 912 1 2 . 1 1 65 65 LEU N N 65 124.212 124.212 119.902 4.310 25576 913 1 2 . 1 1 65 65 LEU HA H 65 5.290 5.290 5.709 -0.419 25576 914 1 2 . 1 1 65 65 LEU C C 65 175.903 175.903 174.400 1.503 25576 915 1 2 . 1 1 65 65 LEU CA C 65 53.729 53.729 53.472 0.257 25576 916 1 2 . 1 1 65 65 LEU CB C 65 46.385 46.385 46.224 0.161 25576 917 1 2 . 1 1 65 65 LEU H H 65 9.738 9.738 9.243 0.495 25576 918 1 2 . 1 1 66 66 PHE N N 66 119.384 119.384 120.543 -1.159 25576 919 1 2 . 1 1 66 66 PHE HA H 66 5.202 5.202 4.992 0.210 25576 920 1 2 . 1 1 66 66 PHE C C 66 175.017 175.017 174.824 0.193 25576 921 1 2 . 1 1 66 66 PHE CA C 66 56.291 56.291 57.746 -1.455 25576 922 1 2 . 1 1 66 66 PHE CB C 66 41.700 41.700 42.739 -1.040 25576 923 1 2 . 1 1 66 66 PHE H H 66 8.968 8.968 9.104 -0.136 25576 924 1 2 . 1 1 67 67 GLU N N 67 129.196 129.196 124.770 4.426 25576 925 1 2 . 1 1 67 67 GLU HA H 67 3.540 3.540 3.599 -0.059 25576 926 1 2 . 1 1 67 67 GLU C C 67 176.778 176.778 176.109 0.669 25576 927 1 2 . 1 1 67 67 GLU CA C 67 56.769 56.769 56.775 -0.006 25576 928 1 2 . 1 1 67 67 GLU CB C 67 26.897 26.897 27.375 -0.478 25576 929 1 2 . 1 1 67 67 GLU H H 67 9.381 9.381 8.700 0.681 25576 930 1 2 . 1 1 68 68 GLY N N 68 103.263 103.263 104.992 -1.729 25576 931 1 2 . 1 1 68 68 GLY C C 68 173.651 173.651 173.203 0.448 25576 932 1 2 . 1 1 68 68 GLY CA C 68 45.476 45.476 44.889 0.587 25576 933 1 2 . 1 1 68 68 GLY H H 68 8.858 8.858 8.265 0.593 25576 934 1 2 . 1 1 69 69 GLN N N 69 120.732 120.732 118.827 1.905 25576 935 1 2 . 1 1 69 69 GLN HA H 69 4.589 4.589 4.721 -0.132 25576 936 1 2 . 1 1 69 69 GLN C C 69 175.204 175.204 174.719 0.485 25576 937 1 2 . 1 1 69 69 GLN CA C 69 53.776 53.776 54.150 -0.374 25576 938 1 2 . 1 1 69 69 GLN CB C 69 30.660 30.660 31.883 -1.223 25576 939 1 2 . 1 1 69 69 GLN H H 69 7.996 7.996 8.099 -0.103 25576 940 1 2 . 1 1 70 70 ARG N N 70 125.102 125.102 124.870 0.232 25576 941 1 2 . 1 1 70 70 ARG HA H 70 4.395 4.395 4.724 -0.329 25576 942 1 2 . 1 1 70 70 ARG C C 70 177.004 177.004 175.499 1.505 25576 943 1 2 . 1 1 70 70 ARG CA C 70 57.305 57.305 55.647 1.658 25576 944 1 2 . 1 1 70 70 ARG CB C 70 30.511 30.511 30.881 -0.370 25576 945 1 2 . 1 1 70 70 ARG H H 70 8.823 8.823 8.794 0.029 25576 946 1 2 . 1 1 71 71 ILE N N 71 126.949 126.949 123.423 3.526 25576 947 1 2 . 1 1 71 71 ILE HA H 71 4.477 4.477 4.448 0.029 25576 948 1 2 . 1 1 71 71 ILE C C 71 176.145 176.145 175.429 0.716 25576 949 1 2 . 1 1 71 71 ILE CA C 71 61.337 61.337 59.542 1.795 25576 950 1 2 . 1 1 71 71 ILE CB C 71 39.067 39.067 36.378 2.689 25576 951 1 2 . 1 1 71 71 ILE H H 71 9.020 9.020 8.614 0.406 25576 952 1 2 . 1 1 72 72 ALA N N 72 139.307 139.307 131.105 8.202 25576 953 1 2 . 1 1 72 72 ALA HA H 72 4.334 4.334 4.484 -0.150 25576 954 1 2 . 1 1 72 72 ALA C C 72 177.973 177.973 178.197 -0.224 25576 955 1 2 . 1 1 72 72 ALA CA C 72 50.785 50.785 50.171 0.614 25576 956 1 2 . 1 1 72 72 ALA CB C 72 18.407 18.407 21.070 -2.663 25576 957 1 2 . 1 1 72 72 ALA H H 72 10.910 10.910 8.024 2.886 25576 958 1 2 . 1 1 73 73 ASP N N 73 120.493 120.493 119.399 1.094 25576 959 1 2 . 1 1 73 73 ASP HA H 73 3.823 3.823 4.226 -0.403 25576 960 1 2 . 1 1 73 73 ASP C C 73 176.104 176.104 176.578 -0.474 25576 961 1 2 . 1 1 73 73 ASP CA C 73 57.113 57.113 57.143 -0.030 25576 962 1 2 . 1 1 73 73 ASP CB C 73 40.032 40.032 40.728 -0.696 25576 963 1 2 . 1 1 73 73 ASP H H 73 8.770 8.770 8.646 0.124 25576 964 1 2 . 1 1 74 74 ASN N N 74 109.526 109.526 114.156 -4.630 25576 965 1 2 . 1 1 74 74 ASN HA H 74 4.245 4.245 4.147 0.098 25576 966 1 2 . 1 1 74 74 ASN C C 74 176.050 176.050 174.464 1.586 25576 967 1 2 . 1 1 74 74 ASN CA C 74 52.073 52.073 52.647 -0.574 25576 968 1 2 . 1 1 74 74 ASN CB C 74 37.343 37.343 38.328 -0.985 25576 969 1 2 . 1 1 74 74 ASN H H 74 7.738 7.738 8.077 -0.339 25576 970 1 2 . 1 1 75 75 HIS N N 75 119.821 119.821 119.927 -0.106 25576 971 1 2 . 1 1 75 75 HIS HA H 75 4.908 4.908 4.593 0.315 25576 972 1 2 . 1 1 75 75 HIS C C 75 175.680 175.680 174.240 1.440 25576 973 1 2 . 1 1 75 75 HIS CA C 75 56.606 56.606 55.753 0.853 25576 974 1 2 . 1 1 75 75 HIS CB C 75 33.549 33.549 31.214 2.335 25576 975 1 2 . 1 1 75 75 HIS H H 75 7.149 7.149 7.520 -0.371 25576 976 1 2 . 1 1 76 76 THR N N 76 108.304 108.304 114.654 -6.350 25576 977 1 2 . 1 1 76 76 THR HA H 76 5.197 5.197 5.269 -0.072 25576 978 1 2 . 1 1 76 76 THR CA C 76 57.594 57.594 57.709 -0.114 25576 979 1 2 . 1 1 76 76 THR CB C 76 70.033 70.033 71.118 -1.085 25576 980 1 2 . 1 1 76 76 THR H H 76 7.303 7.303 8.281 -0.978 25576 981 1 2 . 1 1 77 77 PRO HA H 77 4.241 4.241 4.106 0.135 25576 982 1 2 . 1 1 77 77 PRO C C 77 178.445 178.445 177.986 0.459 25576 983 1 2 . 1 1 77 77 PRO CA C 77 65.724 65.724 65.254 0.470 25576 984 1 2 . 1 1 77 77 PRO CB C 77 32.479 32.479 31.860 0.619 25576 985 1 2 . 1 1 78 78 LYS N N 78 115.329 115.329 116.039 -0.710 25576 986 1 2 . 1 1 78 78 LYS HA H 78 3.956 3.956 4.088 -0.132 25576 987 1 2 . 1 1 78 78 LYS C C 78 179.328 179.328 178.830 0.498 25576 988 1 2 . 1 1 78 78 LYS CA C 78 59.012 59.012 59.060 -0.048 25576 989 1 2 . 1 1 78 78 LYS CB C 78 32.845 32.845 31.634 1.211 25576 990 1 2 . 1 1 78 78 LYS H H 78 8.073 8.073 7.611 0.462 25576 991 1 2 . 1 1 79 79 GLU N N 79 120.840 120.840 119.479 1.361 25576 992 1 2 . 1 1 79 79 GLU HA H 79 3.957 3.957 4.152 -0.195 25576 993 1 2 . 1 1 79 79 GLU C C 79 178.566 178.566 178.283 0.283 25576 994 1 2 . 1 1 79 79 GLU CA C 79 58.790 58.790 58.254 0.536 25576 995 1 2 . 1 1 79 79 GLU CB C 79 30.290 30.290 29.407 0.883 25576 996 1 2 . 1 1 79 79 GLU H H 79 7.978 7.978 7.524 0.454 25576 997 1 2 . 1 1 80 80 LEU N N 80 115.072 115.072 117.929 -2.857 25576 998 1 2 . 1 1 80 80 LEU HA H 80 4.222 4.222 4.382 -0.160 25576 999 1 2 . 1 1 80 80 LEU C C 80 176.602 176.602 177.311 -0.709 25576 1000 1 2 . 1 1 80 80 LEU CA C 80 54.613 54.613 55.051 -0.438 25576 1001 1 2 . 1 1 80 80 LEU CB C 80 42.453 42.453 42.078 0.375 25576 1002 1 2 . 1 1 80 80 LEU H H 80 7.486 7.486 8.006 -0.520 25576 1003 1 2 . 1 1 81 81 GLY N N 81 108.019 108.019 106.742 1.277 25576 1004 1 2 . 1 1 81 81 GLY C C 81 175.390 175.390 174.140 1.250 25576 1005 1 2 . 1 1 81 81 GLY CA C 81 46.622 46.622 45.217 1.405 25576 1006 1 2 . 1 1 81 81 GLY H H 81 7.644 7.644 7.380 0.264 25576 1007 1 2 . 1 1 82 82 MET N N 82 117.606 117.606 118.211 -0.605 25576 1008 1 2 . 1 1 82 82 MET HA H 82 4.185 4.185 4.820 -0.635 25576 1009 1 2 . 1 1 82 82 MET C C 82 174.482 174.482 175.108 -0.626 25576 1010 1 2 . 1 1 82 82 MET CA C 82 57.019 57.019 54.970 2.049 25576 1011 1 2 . 1 1 82 82 MET CB C 82 34.089 34.089 35.412 -1.323 25576 1012 1 2 . 1 1 82 82 MET H H 82 7.628 7.628 8.215 -0.587 25576 1013 1 2 . 1 1 83 83 GLU N N 83 120.980 120.980 117.926 3.054 25576 1014 1 2 . 1 1 83 83 GLU HA H 83 4.457 4.457 4.762 -0.305 25576 1015 1 2 . 1 1 83 83 GLU C C 83 174.297 174.297 175.509 -1.212 25576 1016 1 2 . 1 1 83 83 GLU CA C 83 53.875 53.875 53.964 -0.089 25576 1017 1 2 . 1 1 83 83 GLU CB C 83 33.937 33.937 31.977 1.960 25576 1018 1 2 . 1 1 83 83 GLU H H 83 9.314 9.314 8.034 1.280 25576 1019 1 2 . 1 1 84 84 GLU N N 84 119.063 119.063 119.897 -0.834 25576 1020 1 2 . 1 1 84 84 GLU HA H 84 4.199 4.199 4.180 0.019 25576 1021 1 2 . 1 1 84 84 GLU C C 84 177.527 177.527 176.541 0.986 25576 1022 1 2 . 1 1 84 84 GLU CA C 84 58.549 58.549 57.133 1.416 25576 1023 1 2 . 1 1 84 84 GLU CB C 84 29.993 29.993 29.698 0.295 25576 1024 1 2 . 1 1 84 84 GLU H H 84 8.341 8.341 8.584 -0.243 25576 1025 1 2 . 1 1 85 85 GLU N N 85 118.840 118.840 117.057 1.783 25576 1026 1 2 . 1 1 85 85 GLU HA H 85 3.645 3.645 3.811 -0.166 25576 1027 1 2 . 1 1 85 85 GLU C C 85 175.047 175.047 175.243 -0.196 25576 1028 1 2 . 1 1 85 85 GLU CA C 85 58.846 58.846 58.274 0.572 25576 1029 1 2 . 1 1 85 85 GLU CB C 85 26.691 26.691 28.569 -1.878 25576 1030 1 2 . 1 1 85 85 GLU H H 85 9.357 9.357 9.111 0.246 25576 1031 1 2 . 1 1 86 86 ASP N N 86 120.217 120.217 119.572 0.645 25576 1032 1 2 . 1 1 86 86 ASP HA H 86 4.880 4.880 4.647 0.233 25576 1033 1 2 . 1 1 86 86 ASP C C 86 174.417 174.417 175.209 -0.792 25576 1034 1 2 . 1 1 86 86 ASP CA C 86 55.822 55.822 55.614 0.208 25576 1035 1 2 . 1 1 86 86 ASP CB C 86 41.926 41.926 42.776 -0.850 25576 1036 1 2 . 1 1 86 86 ASP H H 86 8.155 8.155 7.626 0.529 25576 1037 1 2 . 1 1 87 87 VAL N N 87 116.641 116.641 120.125 -3.484 25576 1038 1 2 . 1 1 87 87 VAL HA H 87 4.924 4.924 5.090 -0.166 25576 1039 1 2 . 1 1 87 87 VAL C C 87 176.064 176.064 174.607 1.457 25576 1040 1 2 . 1 1 87 87 VAL CA C 87 61.311 61.311 60.364 0.947 25576 1041 1 2 . 1 1 87 87 VAL CB C 87 35.067 35.067 35.160 -0.093 25576 1042 1 2 . 1 1 87 87 VAL H H 87 8.191 8.191 8.348 -0.157 25576 1043 1 2 . 1 1 88 88 ILE N N 88 127.353 127.353 126.940 0.413 25576 1044 1 2 . 1 1 88 88 ILE HA H 88 4.845 4.845 4.673 0.172 25576 1045 1 2 . 1 1 88 88 ILE C C 88 174.967 174.967 173.923 1.044 25576 1046 1 2 . 1 1 88 88 ILE CA C 88 59.381 59.381 59.730 -0.349 25576 1047 1 2 . 1 1 88 88 ILE CB C 88 40.984 40.984 40.881 0.103 25576 1048 1 2 . 1 1 88 88 ILE H H 88 9.165 9.165 9.011 0.154 25576 1049 1 2 . 1 1 89 89 GLU N N 89 125.851 125.851 123.810 2.041 25576 1050 1 2 . 1 1 89 89 GLU HA H 89 4.820 4.820 4.629 0.191 25576 1051 1 2 . 1 1 89 89 GLU C C 89 175.262 175.262 174.813 0.449 25576 1052 1 2 . 1 1 89 89 GLU CA C 89 55.158 55.158 54.876 0.282 25576 1053 1 2 . 1 1 89 89 GLU CB C 89 33.359 33.359 32.136 1.223 25576 1054 1 2 . 1 1 89 89 GLU H H 89 8.858 8.858 8.702 0.156 25576 1055 1 2 . 1 1 90 90 VAL N N 90 119.735 119.735 125.616 -5.881 25576 1056 1 2 . 1 1 90 90 VAL HA H 90 4.817 4.817 5.342 -0.525 25576 1057 1 2 . 1 1 90 90 VAL C C 90 174.870 174.870 174.573 0.297 25576 1058 1 2 . 1 1 90 90 VAL CA C 90 59.412 59.412 60.685 -1.273 25576 1059 1 2 . 1 1 90 90 VAL CB C 90 34.031 34.031 34.538 -0.507 25576 1060 1 2 . 1 1 90 90 VAL H H 90 7.770 7.770 8.074 -0.304 25576 1061 1 2 . 1 1 91 91 TYR N N 91 124.243 124.243 124.472 -0.229 25576 1062 1 2 . 1 1 91 91 TYR HA H 91 4.621 4.621 4.778 -0.157 25576 1063 1 2 . 1 1 91 91 TYR C C 91 174.588 174.588 174.523 0.065 25576 1064 1 2 . 1 1 91 91 TYR CA C 91 56.018 56.018 56.911 -0.893 25576 1065 1 2 . 1 1 91 91 TYR CB C 91 42.641 42.641 42.024 0.617 25576 1066 1 2 . 1 1 91 91 TYR H H 91 8.540 8.540 9.250 -0.710 25576 1067 1 2 . 1 1 92 92 GLN N N 92 120.784 120.784 119.431 1.353 25576 1068 1 2 . 1 1 92 92 GLN HA H 92 4.529 4.529 4.674 -0.145 25576 1069 1 2 . 1 1 92 92 GLN C C 92 176.679 176.679 175.897 0.782 25576 1070 1 2 . 1 1 92 92 GLN CA C 92 56.135 56.135 55.509 0.626 25576 1071 1 2 . 1 1 92 92 GLN CB C 92 29.342 29.342 30.823 -1.481 25576 1072 1 2 . 1 1 92 92 GLN H H 92 8.726 8.726 8.842 -0.116 25576 1073 1 2 . 1 1 93 93 GLU N N 93 125.131 125.131 122.265 2.866 25576 1074 1 2 . 1 1 93 93 GLU HA H 93 4.364 4.364 4.598 -0.234 25576 1075 1 2 . 1 1 93 93 GLU C C 93 176.244 176.244 176.529 -0.285 25576 1076 1 2 . 1 1 93 93 GLU CA C 93 56.111 56.111 55.774 0.337 25576 1077 1 2 . 1 1 93 93 GLU CB C 93 30.517 30.517 30.457 0.060 25576 1078 1 2 . 1 1 93 93 GLU H H 93 8.419 8.419 8.973 -0.554 25576 1079 1 2 . 1 1 94 94 GLN N N 94 122.912 122.912 119.397 3.515 25576 1080 1 2 . 1 1 94 94 GLN HA H 94 4.439 4.439 4.182 0.257 25576 1081 1 2 . 1 1 94 94 GLN C C 94 176.135 176.135 176.965 -0.830 25576 1082 1 2 . 1 1 94 94 GLN CA C 94 55.585 55.585 56.575 -0.990 25576 1083 1 2 . 1 1 94 94 GLN CB C 94 29.513 29.513 29.098 0.415 25576 1084 1 2 . 1 1 94 94 GLN H H 94 8.780 8.780 8.011 0.769 25576 1085 1 2 . 1 1 95 95 THR N N 95 116.094 116.094 111.954 4.140 25576 1086 1 2 . 1 1 95 95 THR HA H 95 4.294 4.294 4.464 -0.170 25576 1087 1 2 . 1 1 95 95 THR C C 95 175.136 175.136 174.792 0.344 25576 1088 1 2 . 1 1 95 95 THR CA C 95 61.971 61.971 62.435 -0.464 25576 1089 1 2 . 1 1 95 95 THR CB C 95 69.829 69.829 69.725 0.104 25576 1090 1 2 . 1 1 95 95 THR H H 95 8.392 8.392 8.134 0.258 25576 1091 1 2 . 1 1 96 96 GLY N N 96 111.858 111.858 108.490 3.368 25576 1092 1 2 . 1 1 96 96 GLY C C 96 173.704 173.704 173.841 -0.137 25576 1093 1 2 . 1 1 96 96 GLY CA C 96 45.424 45.424 44.605 0.819 25576 1094 1 2 . 1 1 96 96 GLY H H 96 8.508 8.508 8.310 0.198 25576 1095 1 3 . 1 1 2 2 SER N N 2 116.367 116.367 114.196 2.171 25576 1096 1 3 . 1 1 2 2 SER HA H 2 4.458 4.458 4.697 -0.239 25576 1097 1 3 . 1 1 2 2 SER C C 2 174.579 174.579 173.796 0.783 25576 1098 1 3 . 1 1 2 2 SER CA C 2 58.539 58.539 58.448 0.091 25576 1099 1 3 . 1 1 2 2 SER CB C 2 63.940 63.940 64.403 -0.463 25576 1100 1 3 . 1 1 2 2 SER H H 2 8.127 8.127 7.953 0.174 25576 1101 1 3 . 1 1 3 3 ASP N N 3 122.355 122.355 119.332 3.023 25576 1102 1 3 . 1 1 3 3 ASP HA H 3 4.566 4.566 4.802 -0.236 25576 1103 1 3 . 1 1 3 3 ASP C C 3 176.445 176.445 176.590 -0.145 25576 1104 1 3 . 1 1 3 3 ASP CA C 3 54.819 54.819 54.325 0.494 25576 1105 1 3 . 1 1 3 3 ASP CB C 3 40.939 40.939 40.643 0.296 25576 1106 1 3 . 1 1 3 3 ASP H H 3 8.360 8.360 8.304 0.056 25576 1107 1 3 . 1 1 4 4 GLN N N 4 119.955 119.955 118.013 1.942 25576 1108 1 3 . 1 1 4 4 GLN HA H 4 4.262 4.262 4.111 0.151 25576 1109 1 3 . 1 1 4 4 GLN C C 4 176.138 176.138 175.540 0.598 25576 1110 1 3 . 1 1 4 4 GLN CA C 4 55.933 55.933 57.109 -1.176 25576 1111 1 3 . 1 1 4 4 GLN CB C 4 29.411 29.411 28.682 0.729 25576 1112 1 3 . 1 1 4 4 GLN H H 4 8.250 8.250 8.114 0.136 25576 1113 1 3 . 1 1 5 5 GLU N N 5 121.392 121.392 119.013 2.379 25576 1114 1 3 . 1 1 5 5 GLU HA H 5 4.203 4.203 4.565 -0.362 25576 1115 1 3 . 1 1 5 5 GLU C C 5 176.137 176.137 174.637 1.500 25576 1116 1 3 . 1 1 5 5 GLU CA C 5 56.480 56.480 55.234 1.246 25576 1117 1 3 . 1 1 5 5 GLU CB C 5 30.261 30.261 31.276 -1.015 25576 1118 1 3 . 1 1 5 5 GLU H H 5 8.292 8.292 7.757 0.535 25576 1119 1 3 . 1 1 6 6 ALA N N 6 125.339 125.339 124.722 0.617 25576 1120 1 3 . 1 1 6 6 ALA HA H 6 4.261 4.261 4.660 -0.399 25576 1121 1 3 . 1 1 6 6 ALA C C 6 177.348 177.348 176.345 1.003 25576 1122 1 3 . 1 1 6 6 ALA CA C 6 52.319 52.319 51.933 0.386 25576 1123 1 3 . 1 1 6 6 ALA CB C 6 19.120 19.120 20.335 -1.215 25576 1124 1 3 . 1 1 6 6 ALA H H 6 8.253 8.253 8.322 -0.069 25576 1125 1 3 . 1 1 7 7 LYS N N 7 122.299 122.299 122.832 -0.533 25576 1126 1 3 . 1 1 7 7 LYS HA H 7 4.573 4.573 4.827 -0.254 25576 1127 1 3 . 1 1 7 7 LYS CA C 7 54.062 54.062 53.162 0.900 25576 1128 1 3 . 1 1 7 7 LYS CB C 7 32.588 32.588 33.121 -0.533 25576 1129 1 3 . 1 1 7 7 LYS H H 7 8.302 8.302 8.345 -0.043 25576 1130 1 3 . 1 1 8 8 PRO HA H 8 4.425 4.425 4.559 -0.134 25576 1131 1 3 . 1 1 8 8 PRO C C 8 177.020 177.020 176.236 0.784 25576 1132 1 3 . 1 1 8 8 PRO CA C 8 63.029 63.029 62.822 0.207 25576 1133 1 3 . 1 1 8 8 PRO CB C 8 32.158 32.158 31.465 0.693 25576 1134 1 3 . 1 1 9 9 SER N N 9 116.888 116.888 122.549 -5.661 25576 1135 1 3 . 1 1 9 9 SER HA H 9 4.479 4.479 4.518 -0.039 25576 1136 1 3 . 1 1 9 9 SER C C 9 174.261 174.261 174.078 0.183 25576 1137 1 3 . 1 1 9 9 SER CA C 9 58.299 58.299 57.593 0.706 25576 1138 1 3 . 1 1 9 9 SER CB C 9 63.848 63.848 62.799 1.049 25576 1139 1 3 . 1 1 9 9 SER H H 9 8.596 8.596 8.474 0.122 25576 1140 1 3 . 1 1 10 10 THR N N 10 115.838 115.838 116.162 -0.324 25576 1141 1 3 . 1 1 10 10 THR HA H 10 4.334 4.334 4.465 -0.131 25576 1142 1 3 . 1 1 10 10 THR C C 10 176.158 176.158 174.315 1.843 25576 1143 1 3 . 1 1 10 10 THR CA C 10 61.966 61.966 61.455 0.511 25576 1144 1 3 . 1 1 10 10 THR CB C 10 69.581 69.581 69.910 -0.329 25576 1145 1 3 . 1 1 10 10 THR H H 10 8.247 8.247 7.987 0.260 25576 1146 1 3 . 1 1 11 11 GLU N N 11 122.975 122.975 124.770 -1.795 25576 1147 1 3 . 1 1 11 11 GLU HA H 11 4.237 4.237 4.518 -0.281 25576 1148 1 3 . 1 1 11 11 GLU C C 11 175.920 175.920 176.199 -0.279 25576 1149 1 3 . 1 1 11 11 GLU CA C 11 56.779 56.779 56.186 0.593 25576 1150 1 3 . 1 1 11 11 GLU CB C 11 29.869 29.869 30.829 -0.960 25576 1151 1 3 . 1 1 11 11 GLU H H 11 8.355 8.355 8.630 -0.275 25576 1152 1 3 . 1 1 12 12 ASP N N 12 122.117 122.117 125.383 -3.266 25576 1153 1 3 . 1 1 12 12 ASP HA H 12 4.562 4.562 4.628 -0.066 25576 1154 1 3 . 1 1 12 12 ASP C C 12 176.402 176.402 177.489 -1.087 25576 1155 1 3 . 1 1 12 12 ASP CA C 12 54.224 54.224 54.539 -0.315 25576 1156 1 3 . 1 1 12 12 ASP CB C 12 41.161 41.161 41.019 0.142 25576 1157 1 3 . 1 1 12 12 ASP H H 12 8.411 8.411 8.811 -0.400 25576 1158 1 3 . 1 1 13 13 LEU N N 13 123.695 123.695 120.229 3.466 25576 1159 1 3 . 1 1 13 13 LEU HA H 13 4.306 4.306 3.983 0.323 25576 1160 1 3 . 1 1 13 13 LEU C C 13 178.231 178.231 178.914 -0.683 25576 1161 1 3 . 1 1 13 13 LEU CA C 13 55.384 55.384 56.444 -1.060 25576 1162 1 3 . 1 1 13 13 LEU CB C 13 42.132 42.132 42.029 0.103 25576 1163 1 3 . 1 1 13 13 LEU H H 13 8.391 8.391 7.826 0.565 25576 1164 1 3 . 1 1 14 14 GLY N N 14 108.928 108.928 105.416 3.512 25576 1165 1 3 . 1 1 14 14 GLY C C 14 174.014 174.014 173.788 0.226 25576 1166 1 3 . 1 1 14 14 GLY CA C 14 45.600 45.600 45.415 0.185 25576 1167 1 3 . 1 1 14 14 GLY H H 14 8.456 8.456 8.592 -0.136 25576 1168 1 3 . 1 1 15 15 ASP N N 15 120.427 120.427 124.368 -3.941 25576 1169 1 3 . 1 1 15 15 ASP HA H 15 4.544 4.544 4.594 -0.050 25576 1170 1 3 . 1 1 15 15 ASP C C 15 176.810 176.810 175.280 1.530 25576 1171 1 3 . 1 1 15 15 ASP CA C 15 54.389 54.389 54.482 -0.093 25576 1172 1 3 . 1 1 15 15 ASP CB C 15 41.153 41.153 40.783 0.370 25576 1173 1 3 . 1 1 15 15 ASP H H 15 8.207 8.207 7.840 0.367 25576 1174 1 3 . 1 1 16 16 LYS N N 16 121.257 121.257 123.807 -2.550 25576 1175 1 3 . 1 1 16 16 LYS HA H 16 4.269 4.269 4.599 -0.330 25576 1176 1 3 . 1 1 16 16 LYS C C 16 176.470 176.470 175.002 1.468 25576 1177 1 3 . 1 1 16 16 LYS CA C 16 56.579 56.579 55.361 1.218 25576 1178 1 3 . 1 1 16 16 LYS CB C 16 29.470 29.470 34.852 -5.383 25576 1179 1 3 . 1 1 16 16 LYS H H 16 8.302 8.302 8.257 0.045 25576 1180 1 3 . 1 1 17 17 LYS N N 17 122.205 122.205 122.739 -0.534 25576 1181 1 3 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.473 -0.206 25576 1182 1 3 . 1 1 17 17 LYS C C 17 176.837 176.837 175.227 1.610 25576 1183 1 3 . 1 1 17 17 LYS CA C 17 56.177 56.177 55.752 0.425 25576 1184 1 3 . 1 1 17 17 LYS CB C 17 32.684 32.684 33.992 -1.308 25576 1185 1 3 . 1 1 17 17 LYS H H 17 8.383 8.383 8.482 -0.099 25576 1186 1 3 . 1 1 18 18 GLU N N 18 121.859 121.859 122.718 -0.859 25576 1187 1 3 . 1 1 18 18 GLU HA H 18 4.252 4.252 4.582 -0.330 25576 1188 1 3 . 1 1 18 18 GLU C C 18 176.964 176.964 175.239 1.725 25576 1189 1 3 . 1 1 18 18 GLU CA C 18 57.094 57.094 56.328 0.766 25576 1190 1 3 . 1 1 18 18 GLU CB C 18 30.261 30.261 30.332 -0.071 25576 1191 1 3 . 1 1 18 18 GLU H H 18 8.497 8.497 8.767 -0.270 25576 1192 1 3 . 1 1 19 19 GLY N N 19 109.716 109.716 111.146 -1.430 25576 1193 1 3 . 1 1 19 19 GLY C C 19 173.520 173.520 174.956 -1.436 25576 1194 1 3 . 1 1 19 19 GLY CA C 19 45.386 45.386 45.388 -0.002 25576 1195 1 3 . 1 1 19 19 GLY H H 19 8.447 8.447 8.475 -0.028 25576 1196 1 3 . 1 1 20 20 GLU N N 20 119.640 119.640 123.175 -3.535 25576 1197 1 3 . 1 1 20 20 GLU HA H 20 4.255 4.255 4.441 -0.186 25576 1198 1 3 . 1 1 20 20 GLU C C 20 175.453 175.453 175.715 -0.262 25576 1199 1 3 . 1 1 20 20 GLU CA C 20 56.726 56.726 55.472 1.254 25576 1200 1 3 . 1 1 20 20 GLU CB C 20 30.806 30.806 27.299 3.507 25576 1201 1 3 . 1 1 20 20 GLU H H 20 8.227 8.227 8.744 -0.517 25576 1202 1 3 . 1 1 21 21 TYR N N 21 119.301 119.301 117.902 1.399 25576 1203 1 3 . 1 1 21 21 TYR HA H 21 5.083 5.083 5.313 -0.230 25576 1204 1 3 . 1 1 21 21 TYR C C 21 175.805 175.805 174.831 0.974 25576 1205 1 3 . 1 1 21 21 TYR CA C 21 57.427 57.427 55.421 2.006 25576 1206 1 3 . 1 1 21 21 TYR CB C 21 41.620 41.620 40.138 1.482 25576 1207 1 3 . 1 1 21 21 TYR H H 21 8.367 8.367 7.540 0.827 25576 1208 1 3 . 1 1 22 22 ILE N N 22 116.642 116.642 113.454 3.188 25576 1209 1 3 . 1 1 22 22 ILE HA H 22 4.787 4.787 4.726 0.061 25576 1210 1 3 . 1 1 22 22 ILE C C 22 173.467 173.467 174.115 -0.648 25576 1211 1 3 . 1 1 22 22 ILE CA C 22 59.685 59.685 58.714 0.971 25576 1212 1 3 . 1 1 22 22 ILE CB C 22 42.383 42.383 41.559 0.824 25576 1213 1 3 . 1 1 22 22 ILE H H 22 9.151 9.151 8.896 0.255 25576 1214 1 3 . 1 1 23 23 LYS N N 23 124.306 124.306 120.187 4.119 25576 1215 1 3 . 1 1 23 23 LYS HA H 23 5.289 5.289 5.109 0.180 25576 1216 1 3 . 1 1 23 23 LYS C C 23 175.553 175.553 175.730 -0.177 25576 1217 1 3 . 1 1 23 23 LYS CA C 23 55.629 55.629 55.492 0.137 25576 1218 1 3 . 1 1 23 23 LYS CB C 23 33.744 33.744 34.777 -1.033 25576 1219 1 3 . 1 1 23 23 LYS H H 23 8.623 8.623 8.353 0.270 25576 1220 1 3 . 1 1 24 24 LEU N N 24 124.177 124.177 121.635 2.542 25576 1221 1 3 . 1 1 24 24 LEU HA H 24 4.974 4.974 5.101 -0.127 25576 1222 1 3 . 1 1 24 24 LEU C C 24 175.910 175.910 174.589 1.321 25576 1223 1 3 . 1 1 24 24 LEU CA C 24 52.835 52.835 54.005 -1.170 25576 1224 1 3 . 1 1 24 24 LEU CB C 24 46.661 46.661 47.180 -0.519 25576 1225 1 3 . 1 1 24 24 LEU H H 24 8.940 8.940 9.211 -0.271 25576 1226 1 3 . 1 1 25 25 LYS N N 25 120.635 120.635 120.253 0.382 25576 1227 1 3 . 1 1 25 25 LYS HA H 25 4.714 4.714 4.741 -0.027 25576 1228 1 3 . 1 1 25 25 LYS C C 25 174.125 174.125 173.941 0.184 25576 1229 1 3 . 1 1 25 25 LYS CA C 25 55.122 55.122 53.748 1.373 25576 1230 1 3 . 1 1 25 25 LYS CB C 25 34.919 34.919 36.496 -1.577 25576 1231 1 3 . 1 1 25 25 LYS H H 25 8.621 8.621 8.502 0.119 25576 1232 1 3 . 1 1 26 26 VAL N N 26 124.130 124.130 124.129 0.001 25576 1233 1 3 . 1 1 26 26 VAL HA H 26 5.043 5.043 4.857 0.186 25576 1234 1 3 . 1 1 26 26 VAL C C 26 176.195 176.195 174.431 1.764 25576 1235 1 3 . 1 1 26 26 VAL CA C 26 61.193 61.193 60.016 1.177 25576 1236 1 3 . 1 1 26 26 VAL CB C 26 32.270 32.270 35.568 -3.298 25576 1237 1 3 . 1 1 26 26 VAL H H 26 9.113 9.113 8.668 0.445 25576 1238 1 3 . 1 1 27 27 ILE N N 27 128.245 128.245 127.256 0.989 25576 1239 1 3 . 1 1 27 27 ILE HA H 27 5.012 5.012 4.497 0.515 25576 1240 1 3 . 1 1 27 27 ILE C C 27 175.976 175.976 175.299 0.677 25576 1241 1 3 . 1 1 27 27 ILE CA C 27 59.910 59.910 58.555 1.355 25576 1242 1 3 . 1 1 27 27 ILE CB C 27 39.851 39.851 36.975 2.876 25576 1243 1 3 . 1 1 27 27 ILE H H 27 9.063 9.063 8.365 0.698 25576 1244 1 3 . 1 1 28 28 GLY N N 28 113.332 113.332 113.293 0.039 25576 1245 1 3 . 1 1 28 28 GLY C C 28 175.505 175.505 175.503 0.002 25576 1246 1 3 . 1 1 28 28 GLY CA C 28 43.958 43.958 44.363 -0.405 25576 1247 1 3 . 1 1 28 28 GLY H H 28 8.485 8.485 8.373 0.112 25576 1248 1 3 . 1 1 29 29 GLN N N 29 120.493 120.493 119.535 0.958 25576 1249 1 3 . 1 1 29 29 GLN HA H 29 4.113 4.113 3.974 0.139 25576 1250 1 3 . 1 1 29 29 GLN C C 29 176.003 176.003 177.210 -1.207 25576 1251 1 3 . 1 1 29 29 GLN CA C 29 57.808 57.808 58.180 -0.372 25576 1252 1 3 . 1 1 29 29 GLN CB C 29 28.735 28.735 28.364 0.371 25576 1253 1 3 . 1 1 29 29 GLN H H 29 8.768 8.768 8.870 -0.102 25576 1254 1 3 . 1 1 30 30 ASP N N 30 118.342 118.342 117.567 0.775 25576 1255 1 3 . 1 1 30 30 ASP HA H 30 4.537 4.537 4.584 -0.047 25576 1256 1 3 . 1 1 30 30 ASP C C 30 176.461 176.461 175.663 0.798 25576 1257 1 3 . 1 1 30 30 ASP CA C 30 53.271 53.271 53.805 -0.534 25576 1258 1 3 . 1 1 30 30 ASP CB C 30 39.867 39.867 40.548 -0.681 25576 1259 1 3 . 1 1 30 30 ASP H H 30 8.335 8.335 8.317 0.018 25576 1260 1 3 . 1 1 31 31 SER N N 31 111.069 111.069 112.203 -1.134 25576 1261 1 3 . 1 1 31 31 SER HA H 31 4.044 4.044 4.062 -0.018 25576 1262 1 3 . 1 1 31 31 SER C C 31 173.554 173.554 173.417 0.137 25576 1263 1 3 . 1 1 31 31 SER CA C 31 60.529 60.529 59.174 1.355 25576 1264 1 3 . 1 1 31 31 SER CB C 31 62.268 62.268 62.207 0.061 25576 1265 1 3 . 1 1 31 31 SER H H 31 7.997 7.997 8.069 -0.072 25576 1266 1 3 . 1 1 32 32 SER N N 32 117.489 117.489 116.881 0.608 25576 1267 1 3 . 1 1 32 32 SER HA H 32 4.380 4.380 4.363 0.017 25576 1268 1 3 . 1 1 32 32 SER C C 32 173.550 173.550 174.426 -0.876 25576 1269 1 3 . 1 1 32 32 SER CA C 32 58.590 58.590 59.159 -0.569 25576 1270 1 3 . 1 1 32 32 SER CB C 32 64.008 64.008 63.331 0.678 25576 1271 1 3 . 1 1 32 32 SER H H 32 8.081 8.081 8.082 -0.001 25576 1272 1 3 . 1 1 33 33 GLU N N 33 121.738 121.738 129.742 -8.004 25576 1273 1 3 . 1 1 33 33 GLU HA H 33 5.131 5.131 4.970 0.161 25576 1274 1 3 . 1 1 33 33 GLU C C 33 175.317 175.317 176.009 -0.692 25576 1275 1 3 . 1 1 33 33 GLU CA C 33 55.212 55.212 55.953 -0.741 25576 1276 1 3 . 1 1 33 33 GLU CB C 33 32.596 32.596 29.919 2.678 25576 1277 1 3 . 1 1 33 33 GLU H H 33 8.616 8.616 8.181 0.435 25576 1278 1 3 . 1 1 34 34 ILE N N 34 124.389 124.389 125.145 -0.756 25576 1279 1 3 . 1 1 34 34 ILE HA H 34 4.359 4.359 4.443 -0.084 25576 1280 1 3 . 1 1 34 34 ILE C C 34 174.612 174.612 174.949 -0.337 25576 1281 1 3 . 1 1 34 34 ILE CA C 34 60.266 60.266 59.622 0.644 25576 1282 1 3 . 1 1 34 34 ILE CB C 34 40.906 40.906 39.110 1.796 25576 1283 1 3 . 1 1 34 34 ILE H H 34 8.670 8.670 8.764 -0.094 25576 1284 1 3 . 1 1 35 35 HIS N N 35 125.683 125.683 126.044 -0.361 25576 1285 1 3 . 1 1 35 35 HIS HA H 35 5.597 5.597 4.908 0.689 25576 1286 1 3 . 1 1 35 35 HIS C C 35 174.902 174.902 174.515 0.387 25576 1287 1 3 . 1 1 35 35 HIS CA C 35 54.765 54.765 54.142 0.624 25576 1288 1 3 . 1 1 35 35 HIS CB C 35 32.411 32.411 32.036 0.375 25576 1289 1 3 . 1 1 35 35 HIS H H 35 8.699 8.699 8.663 0.036 25576 1290 1 3 . 1 1 36 36 PHE N N 36 119.920 119.920 121.830 -1.910 25576 1291 1 3 . 1 1 36 36 PHE HA H 36 4.949 4.949 5.039 -0.090 25576 1292 1 3 . 1 1 36 36 PHE C C 36 174.000 174.000 173.719 0.281 25576 1293 1 3 . 1 1 36 36 PHE CA C 36 57.003 57.003 56.130 0.873 25576 1294 1 3 . 1 1 36 36 PHE CB C 36 44.431 44.431 41.073 3.358 25576 1295 1 3 . 1 1 36 36 PHE H H 36 9.103 9.103 8.291 0.812 25576 1296 1 3 . 1 1 37 37 LYS N N 37 123.747 123.747 123.777 -0.030 25576 1297 1 3 . 1 1 37 37 LYS HA H 37 4.294 4.294 5.146 -0.852 25576 1298 1 3 . 1 1 37 37 LYS C C 37 176.145 176.145 175.557 0.588 25576 1299 1 3 . 1 1 37 37 LYS CA C 37 55.448 55.448 55.703 -0.255 25576 1300 1 3 . 1 1 37 37 LYS CB C 37 33.467 33.467 33.532 -0.066 25576 1301 1 3 . 1 1 37 37 LYS H H 37 8.787 8.787 8.595 0.192 25576 1302 1 3 . 1 1 38 38 VAL N N 38 119.736 119.736 117.359 2.377 25576 1303 1 3 . 1 1 38 38 VAL HA H 38 4.957 4.957 4.692 0.265 25576 1304 1 3 . 1 1 38 38 VAL C C 38 174.245 174.245 174.130 0.115 25576 1305 1 3 . 1 1 38 38 VAL CA C 38 58.935 58.935 59.483 -0.548 25576 1306 1 3 . 1 1 38 38 VAL CB C 38 35.429 35.429 35.176 0.253 25576 1307 1 3 . 1 1 38 38 VAL H H 38 9.138 9.138 8.690 0.448 25576 1308 1 3 . 1 1 39 39 LYS N N 39 122.359 122.359 120.466 1.893 25576 1309 1 3 . 1 1 39 39 LYS HA H 39 3.837 3.837 4.561 -0.724 25576 1310 1 3 . 1 1 39 39 LYS C C 39 179.383 179.383 177.818 1.565 25576 1311 1 3 . 1 1 39 39 LYS CA C 39 56.814 56.814 55.785 1.029 25576 1312 1 3 . 1 1 39 39 LYS CB C 39 30.576 30.576 34.102 -3.526 25576 1313 1 3 . 1 1 39 39 LYS H H 39 8.611 8.611 8.455 0.156 25576 1314 1 3 . 1 1 40 40 MET N N 40 119.929 119.929 120.225 -0.296 25576 1315 1 3 . 1 1 40 40 MET HA H 40 4.103 4.103 4.304 -0.201 25576 1316 1 3 . 1 1 40 40 MET C C 40 176.546 176.546 177.294 -0.748 25576 1317 1 3 . 1 1 40 40 MET CA C 40 57.320 57.320 58.735 -1.415 25576 1318 1 3 . 1 1 40 40 MET CB C 40 30.903 30.903 32.550 -1.647 25576 1319 1 3 . 1 1 40 40 MET H H 40 8.562 8.562 8.799 -0.237 25576 1320 1 3 . 1 1 41 41 THR N N 41 100.263 100.263 108.735 -8.472 25576 1321 1 3 . 1 1 41 41 THR HA H 41 4.349 4.349 4.323 0.026 25576 1322 1 3 . 1 1 41 41 THR C C 41 174.506 174.506 174.176 0.330 25576 1323 1 3 . 1 1 41 41 THR CA C 41 60.147 60.147 60.650 -0.503 25576 1324 1 3 . 1 1 41 41 THR CB C 41 68.836 68.836 68.403 0.433 25576 1325 1 3 . 1 1 41 41 THR H H 41 6.974 6.974 7.972 -0.998 25576 1326 1 3 . 1 1 42 42 THR N N 42 120.616 120.616 116.756 3.860 25576 1327 1 3 . 1 1 42 42 THR HA H 42 4.187 4.187 4.364 -0.177 25576 1328 1 3 . 1 1 42 42 THR C C 42 174.052 174.052 173.455 0.597 25576 1329 1 3 . 1 1 42 42 THR CA C 42 63.153 63.153 61.488 1.665 25576 1330 1 3 . 1 1 42 42 THR CB C 42 69.645 69.645 70.864 -1.219 25576 1331 1 3 . 1 1 42 42 THR H H 42 7.192 7.192 7.224 -0.032 25576 1332 1 3 . 1 1 43 43 HIS N N 43 126.236 126.236 121.397 4.839 25576 1333 1 3 . 1 1 43 43 HIS HA H 43 4.411 4.411 4.564 -0.153 25576 1334 1 3 . 1 1 43 43 HIS C C 43 178.431 178.431 176.509 1.922 25576 1335 1 3 . 1 1 43 43 HIS CA C 43 57.366 57.366 55.873 1.493 25576 1336 1 3 . 1 1 43 43 HIS CB C 43 30.155 30.155 30.808 -0.653 25576 1337 1 3 . 1 1 43 43 HIS H H 43 8.807 8.807 8.721 0.086 25576 1338 1 3 . 1 1 44 44 LEU N N 44 124.757 124.757 124.784 -0.027 25576 1339 1 3 . 1 1 44 44 LEU HA H 44 3.983 3.983 4.079 -0.096 25576 1340 1 3 . 1 1 44 44 LEU C C 44 177.051 177.051 178.036 -0.985 25576 1341 1 3 . 1 1 44 44 LEU CA C 44 58.790 58.790 55.898 2.892 25576 1342 1 3 . 1 1 44 44 LEU CB C 44 41.240 41.240 40.854 0.386 25576 1343 1 3 . 1 1 44 44 LEU H H 44 9.349 9.349 8.975 0.374 25576 1344 1 3 . 1 1 45 45 LYS N N 45 121.424 121.424 119.499 1.925 25576 1345 1 3 . 1 1 45 45 LYS HA H 45 3.584 3.584 3.875 -0.291 25576 1346 1 3 . 1 1 45 45 LYS C C 45 176.867 176.867 178.096 -1.229 25576 1347 1 3 . 1 1 45 45 LYS CA C 45 60.662 60.662 59.492 1.170 25576 1348 1 3 . 1 1 45 45 LYS CB C 45 33.389 33.389 31.091 2.298 25576 1349 1 3 . 1 1 45 45 LYS H H 45 8.543 8.543 7.735 0.808 25576 1350 1 3 . 1 1 46 46 LYS N N 46 114.033 114.033 118.396 -4.363 25576 1351 1 3 . 1 1 46 46 LYS HA H 46 4.087 4.087 4.257 -0.170 25576 1352 1 3 . 1 1 46 46 LYS C C 46 178.977 178.977 178.499 0.478 25576 1353 1 3 . 1 1 46 46 LYS CA C 46 58.615 58.615 58.283 0.332 25576 1354 1 3 . 1 1 46 46 LYS CB C 46 31.643 31.643 31.189 0.454 25576 1355 1 3 . 1 1 46 46 LYS H H 46 7.517 7.517 7.568 -0.051 25576 1356 1 3 . 1 1 47 47 LEU N N 47 121.871 121.871 120.889 0.982 25576 1357 1 3 . 1 1 47 47 LEU HA H 47 3.660 3.660 3.877 -0.217 25576 1358 1 3 . 1 1 47 47 LEU C C 47 177.575 177.575 177.856 -0.281 25576 1359 1 3 . 1 1 47 47 LEU CA C 47 58.514 58.514 57.378 1.136 25576 1360 1 3 . 1 1 47 47 LEU CB C 47 41.890 41.890 41.763 0.127 25576 1361 1 3 . 1 1 47 47 LEU H H 47 6.739 6.739 7.217 -0.478 25576 1362 1 3 . 1 1 48 48 LYS N N 48 118.246 118.246 118.576 -0.330 25576 1363 1 3 . 1 1 48 48 LYS HA H 48 3.081 3.081 4.128 -1.047 25576 1364 1 3 . 1 1 48 48 LYS C C 48 178.700 178.700 178.790 -0.090 25576 1365 1 3 . 1 1 48 48 LYS CA C 48 59.712 59.712 59.622 0.090 25576 1366 1 3 . 1 1 48 48 LYS CB C 48 32.411 32.411 31.646 0.765 25576 1367 1 3 . 1 1 48 48 LYS H H 48 7.556 7.556 8.485 -0.929 25576 1368 1 3 . 1 1 49 49 GLU N N 49 118.092 118.092 118.224 -0.132 25576 1369 1 3 . 1 1 49 49 GLU HA H 49 3.973 3.973 3.905 0.068 25576 1370 1 3 . 1 1 49 49 GLU C C 49 179.453 179.453 178.596 0.857 25576 1371 1 3 . 1 1 49 49 GLU CA C 49 59.627 59.627 58.876 0.751 25576 1372 1 3 . 1 1 49 49 GLU CB C 49 30.120 30.120 28.752 1.368 25576 1373 1 3 . 1 1 49 49 GLU H H 49 8.500 8.500 8.222 0.278 25576 1374 1 3 . 1 1 50 50 SER N N 50 115.646 115.646 116.975 -1.329 25576 1375 1 3 . 1 1 50 50 SER HA H 50 4.260 4.260 4.171 0.089 25576 1376 1 3 . 1 1 50 50 SER C C 50 177.171 177.171 176.602 0.569 25576 1377 1 3 . 1 1 50 50 SER CA C 50 61.947 61.947 60.913 1.034 25576 1378 1 3 . 1 1 50 50 SER CB C 50 63.258 63.258 62.941 0.317 25576 1379 1 3 . 1 1 50 50 SER H H 50 7.966 7.966 7.623 0.343 25576 1380 1 3 . 1 1 51 51 TYR N N 51 122.610 122.610 120.306 2.304 25576 1381 1 3 . 1 1 51 51 TYR HA H 51 4.026 4.026 4.545 -0.519 25576 1382 1 3 . 1 1 51 51 TYR C C 51 177.374 177.374 177.464 -0.090 25576 1383 1 3 . 1 1 51 51 TYR CA C 51 63.608 63.608 60.245 3.363 25576 1384 1 3 . 1 1 51 51 TYR CB C 51 38.618 38.618 37.761 0.857 25576 1385 1 3 . 1 1 51 51 TYR H H 51 8.833 8.833 8.005 0.828 25576 1386 1 3 . 1 1 52 52 CYS N N 52 117.395 117.395 119.388 -1.993 25576 1387 1 3 . 1 1 52 52 CYS HA H 52 3.915 3.915 3.671 0.244 25576 1388 1 3 . 1 1 52 52 CYS C C 52 177.182 177.182 176.601 0.581 25576 1389 1 3 . 1 1 52 52 CYS CA C 52 65.108 65.108 64.244 0.864 25576 1390 1 3 . 1 1 52 52 CYS CB C 52 26.151 26.151 27.145 -0.994 25576 1391 1 3 . 1 1 52 52 CYS H H 52 8.676 8.676 7.333 1.343 25576 1392 1 3 . 1 1 53 53 GLN N N 53 119.196 119.196 118.672 0.524 25576 1393 1 3 . 1 1 53 53 GLN HA H 53 4.109 4.109 4.009 0.100 25576 1394 1 3 . 1 1 53 53 GLN C C 53 179.105 179.105 178.158 0.947 25576 1395 1 3 . 1 1 53 53 GLN CA C 53 58.973 58.973 58.227 0.746 25576 1396 1 3 . 1 1 53 53 GLN CB C 53 28.211 28.211 27.973 0.238 25576 1397 1 3 . 1 1 53 53 GLN H H 53 8.322 8.322 7.974 0.348 25576 1398 1 3 . 1 1 54 54 ARG N N 54 120.139 120.139 118.088 2.051 25576 1399 1 3 . 1 1 54 54 ARG HA H 54 4.018 4.018 4.119 -0.101 25576 1400 1 3 . 1 1 54 54 ARG C C 54 178.300 178.300 177.963 0.337 25576 1401 1 3 . 1 1 54 54 ARG CA C 54 58.552 58.552 58.068 0.484 25576 1402 1 3 . 1 1 54 54 ARG CB C 54 29.669 29.669 29.934 -0.265 25576 1403 1 3 . 1 1 54 54 ARG H H 54 8.011 8.011 7.733 0.278 25576 1404 1 3 . 1 1 55 55 GLN N N 55 114.160 114.160 114.936 -0.776 25576 1405 1 3 . 1 1 55 55 GLN HA H 55 4.251 4.251 4.413 -0.162 25576 1406 1 3 . 1 1 55 55 GLN C C 55 176.410 176.410 176.800 -0.390 25576 1407 1 3 . 1 1 55 55 GLN CA C 55 55.119 55.119 56.308 -1.189 25576 1408 1 3 . 1 1 55 55 GLN CB C 55 29.424 29.424 30.053 -0.629 25576 1409 1 3 . 1 1 55 55 GLN H H 55 7.806 7.806 7.502 0.304 25576 1410 1 3 . 1 1 56 56 GLY N N 56 109.749 109.749 108.417 1.332 25576 1411 1 3 . 1 1 56 56 GLY C C 56 174.908 174.908 174.149 0.759 25576 1412 1 3 . 1 1 56 56 GLY CA C 56 46.658 46.658 45.441 1.217 25576 1413 1 3 . 1 1 56 56 GLY H H 56 7.932 7.932 7.710 0.222 25576 1414 1 3 . 1 1 57 57 VAL N N 57 111.990 111.990 116.052 -4.062 25576 1415 1 3 . 1 1 57 57 VAL HA H 57 4.941 4.941 4.659 0.282 25576 1416 1 3 . 1 1 57 57 VAL CA C 57 57.534 57.534 57.940 -0.406 25576 1417 1 3 . 1 1 57 57 VAL CB C 57 32.697 32.697 33.314 -0.617 25576 1418 1 3 . 1 1 57 57 VAL H H 57 7.651 7.651 7.557 0.094 25576 1419 1 3 . 1 1 58 58 PRO HA H 58 4.528 4.528 4.662 -0.134 25576 1420 1 3 . 1 1 58 58 PRO C C 58 179.169 179.169 177.467 1.702 25576 1421 1 3 . 1 1 58 58 PRO CA C 58 62.211 62.211 61.593 0.618 25576 1422 1 3 . 1 1 58 58 PRO CB C 58 32.543 32.543 32.890 -0.347 25576 1423 1 3 . 1 1 59 59 MET N N 59 124.522 124.522 117.914 6.608 25576 1424 1 3 . 1 1 59 59 MET HA H 59 4.703 4.703 4.176 0.527 25576 1425 1 3 . 1 1 59 59 MET C C 59 177.459 177.459 175.927 1.532 25576 1426 1 3 . 1 1 59 59 MET CA C 59 58.247 58.247 57.952 0.295 25576 1427 1 3 . 1 1 59 59 MET CB C 59 32.795 32.795 32.441 0.354 25576 1428 1 3 . 1 1 59 59 MET H H 59 9.002 9.002 8.555 0.447 25576 1429 1 3 . 1 1 60 60 ASN N N 60 113.185 113.185 112.414 0.771 25576 1430 1 3 . 1 1 60 60 ASN HA H 60 4.673 4.673 4.637 0.036 25576 1431 1 3 . 1 1 60 60 ASN C C 60 175.674 175.674 176.035 -0.361 25576 1432 1 3 . 1 1 60 60 ASN CA C 60 53.935 53.935 54.195 -0.260 25576 1433 1 3 . 1 1 60 60 ASN CB C 60 37.217 37.217 38.374 -1.157 25576 1434 1 3 . 1 1 60 60 ASN H H 60 8.424 8.424 8.111 0.313 25576 1435 1 3 . 1 1 61 61 SER N N 61 113.092 113.092 114.716 -1.624 25576 1436 1 3 . 1 1 61 61 SER HA H 61 4.500 4.500 4.582 -0.082 25576 1437 1 3 . 1 1 61 61 SER C C 61 173.455 173.455 173.365 0.090 25576 1438 1 3 . 1 1 61 61 SER CA C 61 59.609 59.609 60.338 -0.729 25576 1439 1 3 . 1 1 61 61 SER CB C 61 64.812 64.812 64.856 -0.044 25576 1440 1 3 . 1 1 61 61 SER H H 61 7.931 7.931 7.687 0.244 25576 1441 1 3 . 1 1 62 62 LEU N N 62 120.961 120.961 117.164 3.797 25576 1442 1 3 . 1 1 62 62 LEU HA H 62 5.109 5.109 5.185 -0.076 25576 1443 1 3 . 1 1 62 62 LEU C C 62 175.588 175.588 175.394 0.194 25576 1444 1 3 . 1 1 62 62 LEU CA C 62 53.575 53.575 53.032 0.543 25576 1445 1 3 . 1 1 62 62 LEU CB C 62 46.262 46.262 44.984 1.278 25576 1446 1 3 . 1 1 62 62 LEU H H 62 7.265 7.265 7.157 0.108 25576 1447 1 3 . 1 1 63 63 ARG N N 63 120.142 120.142 119.605 0.537 25576 1448 1 3 . 1 1 63 63 ARG HA H 63 4.668 4.668 4.409 0.259 25576 1449 1 3 . 1 1 63 63 ARG C C 63 172.784 172.784 175.091 -2.307 25576 1450 1 3 . 1 1 63 63 ARG CA C 63 54.488 54.488 54.553 -0.065 25576 1451 1 3 . 1 1 63 63 ARG CB C 63 33.111 33.111 31.568 1.543 25576 1452 1 3 . 1 1 63 63 ARG H H 63 8.993 8.993 8.958 0.035 25576 1453 1 3 . 1 1 64 64 PHE N N 64 122.537 122.537 123.139 -0.602 25576 1454 1 3 . 1 1 64 64 PHE HA H 64 4.959 4.959 5.462 -0.503 25576 1455 1 3 . 1 1 64 64 PHE C C 64 174.150 174.150 174.411 -0.261 25576 1456 1 3 . 1 1 64 64 PHE CA C 64 56.347 56.347 54.845 1.502 25576 1457 1 3 . 1 1 64 64 PHE CB C 64 40.762 40.762 38.989 1.773 25576 1458 1 3 . 1 1 64 64 PHE H H 64 8.923 8.923 8.152 0.771 25576 1459 1 3 . 1 1 65 65 LEU N N 65 124.212 124.212 119.920 4.292 25576 1460 1 3 . 1 1 65 65 LEU HA H 65 5.290 5.290 5.725 -0.435 25576 1461 1 3 . 1 1 65 65 LEU C C 65 175.903 175.903 174.416 1.487 25576 1462 1 3 . 1 1 65 65 LEU CA C 65 53.729 53.729 53.397 0.333 25576 1463 1 3 . 1 1 65 65 LEU CB C 65 46.385 46.385 46.245 0.140 25576 1464 1 3 . 1 1 65 65 LEU H H 65 9.738 9.738 9.254 0.484 25576 1465 1 3 . 1 1 66 66 PHE N N 66 119.384 119.384 120.440 -1.056 25576 1466 1 3 . 1 1 66 66 PHE HA H 66 5.202 5.202 4.989 0.213 25576 1467 1 3 . 1 1 66 66 PHE C C 66 175.017 175.017 174.783 0.234 25576 1468 1 3 . 1 1 66 66 PHE CA C 66 56.291 56.291 57.816 -1.525 25576 1469 1 3 . 1 1 66 66 PHE CB C 66 41.700 41.700 42.741 -1.041 25576 1470 1 3 . 1 1 66 66 PHE H H 66 8.968 8.968 9.088 -0.120 25576 1471 1 3 . 1 1 67 67 GLU N N 67 129.196 129.196 124.625 4.571 25576 1472 1 3 . 1 1 67 67 GLU HA H 67 3.540 3.540 3.589 -0.049 25576 1473 1 3 . 1 1 67 67 GLU C C 67 176.778 176.778 176.132 0.646 25576 1474 1 3 . 1 1 67 67 GLU CA C 67 56.769 56.769 56.739 0.030 25576 1475 1 3 . 1 1 67 67 GLU CB C 67 26.897 26.897 27.384 -0.488 25576 1476 1 3 . 1 1 67 67 GLU H H 67 9.381 9.381 8.652 0.729 25576 1477 1 3 . 1 1 68 68 GLY N N 68 103.263 103.263 104.767 -1.504 25576 1478 1 3 . 1 1 68 68 GLY C C 68 173.651 173.651 172.884 0.767 25576 1479 1 3 . 1 1 68 68 GLY CA C 68 45.476 45.476 44.962 0.514 25576 1480 1 3 . 1 1 68 68 GLY H H 68 8.858 8.858 8.280 0.578 25576 1481 1 3 . 1 1 69 69 GLN N N 69 120.732 120.732 118.287 2.445 25576 1482 1 3 . 1 1 69 69 GLN HA H 69 4.589 4.589 4.778 -0.189 25576 1483 1 3 . 1 1 69 69 GLN C C 69 175.204 175.204 174.611 0.593 25576 1484 1 3 . 1 1 69 69 GLN CA C 69 53.776 53.776 53.703 0.073 25576 1485 1 3 . 1 1 69 69 GLN CB C 69 30.660 30.660 32.058 -1.398 25576 1486 1 3 . 1 1 69 69 GLN H H 69 7.996 7.996 8.130 -0.134 25576 1487 1 3 . 1 1 70 70 ARG N N 70 125.102 125.102 124.763 0.339 25576 1488 1 3 . 1 1 70 70 ARG HA H 70 4.395 4.395 4.866 -0.471 25576 1489 1 3 . 1 1 70 70 ARG C C 70 177.004 177.004 175.577 1.427 25576 1490 1 3 . 1 1 70 70 ARG CA C 70 57.305 57.305 55.338 1.967 25576 1491 1 3 . 1 1 70 70 ARG CB C 70 30.511 30.511 30.958 -0.447 25576 1492 1 3 . 1 1 70 70 ARG H H 70 8.823 8.823 8.769 0.054 25576 1493 1 3 . 1 1 71 71 ILE N N 71 126.949 126.949 123.153 3.796 25576 1494 1 3 . 1 1 71 71 ILE HA H 71 4.477 4.477 4.455 0.022 25576 1495 1 3 . 1 1 71 71 ILE C C 71 176.145 176.145 175.420 0.725 25576 1496 1 3 . 1 1 71 71 ILE CA C 71 61.337 61.337 59.667 1.670 25576 1497 1 3 . 1 1 71 71 ILE CB C 71 39.067 39.067 36.714 2.353 25576 1498 1 3 . 1 1 71 71 ILE H H 71 9.020 9.020 8.635 0.385 25576 1499 1 3 . 1 1 72 72 ALA N N 72 139.307 139.307 130.434 8.873 25576 1500 1 3 . 1 1 72 72 ALA HA H 72 4.334 4.334 4.515 -0.181 25576 1501 1 3 . 1 1 72 72 ALA C C 72 177.973 177.973 177.696 0.277 25576 1502 1 3 . 1 1 72 72 ALA CA C 72 50.785 50.785 50.157 0.628 25576 1503 1 3 . 1 1 72 72 ALA CB C 72 18.407 18.407 20.991 -2.584 25576 1504 1 3 . 1 1 72 72 ALA H H 72 10.910 10.910 8.078 2.832 25576 1505 1 3 . 1 1 73 73 ASP N N 73 120.493 120.493 118.484 2.009 25576 1506 1 3 . 1 1 73 73 ASP HA H 73 3.823 3.823 4.229 -0.406 25576 1507 1 3 . 1 1 73 73 ASP C C 73 176.104 176.104 176.535 -0.431 25576 1508 1 3 . 1 1 73 73 ASP CA C 73 57.113 57.113 57.142 -0.030 25576 1509 1 3 . 1 1 73 73 ASP CB C 73 40.032 40.032 40.845 -0.813 25576 1510 1 3 . 1 1 73 73 ASP H H 73 8.770 8.770 8.590 0.180 25576 1511 1 3 . 1 1 74 74 ASN N N 74 109.526 109.526 113.838 -4.312 25576 1512 1 3 . 1 1 74 74 ASN HA H 74 4.245 4.245 3.987 0.258 25576 1513 1 3 . 1 1 74 74 ASN C C 74 176.050 176.050 174.460 1.590 25576 1514 1 3 . 1 1 74 74 ASN CA C 74 52.073 52.073 52.682 -0.609 25576 1515 1 3 . 1 1 74 74 ASN CB C 74 37.343 37.343 38.460 -1.117 25576 1516 1 3 . 1 1 74 74 ASN H H 74 7.738 7.738 8.114 -0.376 25576 1517 1 3 . 1 1 75 75 HIS N N 75 119.821 119.821 120.547 -0.726 25576 1518 1 3 . 1 1 75 75 HIS HA H 75 4.908 4.908 4.569 0.339 25576 1519 1 3 . 1 1 75 75 HIS C C 75 175.680 175.680 174.098 1.582 25576 1520 1 3 . 1 1 75 75 HIS CA C 75 56.606 56.606 56.612 -0.006 25576 1521 1 3 . 1 1 75 75 HIS CB C 75 33.549 33.549 31.019 2.530 25576 1522 1 3 . 1 1 75 75 HIS H H 75 7.149 7.149 7.510 -0.361 25576 1523 1 3 . 1 1 76 76 THR N N 76 108.304 108.304 114.411 -6.107 25576 1524 1 3 . 1 1 76 76 THR HA H 76 5.197 5.197 5.269 -0.072 25576 1525 1 3 . 1 1 76 76 THR CA C 76 57.594 57.594 58.199 -0.605 25576 1526 1 3 . 1 1 76 76 THR CB C 76 70.033 70.033 70.755 -0.722 25576 1527 1 3 . 1 1 76 76 THR H H 76 7.303 7.303 8.312 -1.009 25576 1528 1 3 . 1 1 77 77 PRO HA H 77 4.241 4.241 4.173 0.068 25576 1529 1 3 . 1 1 77 77 PRO C C 77 178.445 178.445 177.938 0.507 25576 1530 1 3 . 1 1 77 77 PRO CA C 77 65.724 65.724 65.030 0.694 25576 1531 1 3 . 1 1 77 77 PRO CB C 77 32.479 32.479 31.936 0.543 25576 1532 1 3 . 1 1 78 78 LYS N N 78 115.329 115.329 116.724 -1.395 25576 1533 1 3 . 1 1 78 78 LYS HA H 78 3.956 3.956 4.043 -0.087 25576 1534 1 3 . 1 1 78 78 LYS C C 78 179.328 179.328 178.803 0.525 25576 1535 1 3 . 1 1 78 78 LYS CA C 78 59.012 59.012 59.249 -0.237 25576 1536 1 3 . 1 1 78 78 LYS CB C 78 32.845 32.845 31.602 1.242 25576 1537 1 3 . 1 1 78 78 LYS H H 78 8.073 8.073 7.822 0.251 25576 1538 1 3 . 1 1 79 79 GLU N N 79 120.840 120.840 119.605 1.235 25576 1539 1 3 . 1 1 79 79 GLU HA H 79 3.957 3.957 4.128 -0.171 25576 1540 1 3 . 1 1 79 79 GLU C C 79 178.566 178.566 178.605 -0.039 25576 1541 1 3 . 1 1 79 79 GLU CA C 79 58.790 58.790 58.438 0.352 25576 1542 1 3 . 1 1 79 79 GLU CB C 79 30.290 30.290 29.379 0.911 25576 1543 1 3 . 1 1 79 79 GLU H H 79 7.978 7.978 7.593 0.385 25576 1544 1 3 . 1 1 80 80 LEU N N 80 115.072 115.072 117.421 -2.349 25576 1545 1 3 . 1 1 80 80 LEU HA H 80 4.222 4.222 4.264 -0.042 25576 1546 1 3 . 1 1 80 80 LEU C C 80 176.602 176.602 177.948 -1.346 25576 1547 1 3 . 1 1 80 80 LEU CA C 80 54.613 54.613 55.487 -0.874 25576 1548 1 3 . 1 1 80 80 LEU CB C 80 42.453 42.453 42.251 0.202 25576 1549 1 3 . 1 1 80 80 LEU H H 80 7.486 7.486 8.042 -0.556 25576 1550 1 3 . 1 1 81 81 GLY N N 81 108.019 108.019 106.241 1.778 25576 1551 1 3 . 1 1 81 81 GLY C C 81 175.390 175.390 174.225 1.165 25576 1552 1 3 . 1 1 81 81 GLY CA C 81 46.622 46.622 45.097 1.525 25576 1553 1 3 . 1 1 81 81 GLY H H 81 7.644 7.644 7.481 0.163 25576 1554 1 3 . 1 1 82 82 MET N N 82 117.606 117.606 118.559 -0.953 25576 1555 1 3 . 1 1 82 82 MET HA H 82 4.185 4.185 5.013 -0.828 25576 1556 1 3 . 1 1 82 82 MET C C 82 174.482 174.482 175.243 -0.761 25576 1557 1 3 . 1 1 82 82 MET CA C 82 57.019 57.019 55.110 1.909 25576 1558 1 3 . 1 1 82 82 MET CB C 82 34.089 34.089 35.419 -1.329 25576 1559 1 3 . 1 1 82 82 MET H H 82 7.628 7.628 8.165 -0.537 25576 1560 1 3 . 1 1 83 83 GLU N N 83 120.980 120.980 118.151 2.829 25576 1561 1 3 . 1 1 83 83 GLU HA H 83 4.457 4.457 4.792 -0.335 25576 1562 1 3 . 1 1 83 83 GLU C C 83 174.297 174.297 175.639 -1.342 25576 1563 1 3 . 1 1 83 83 GLU CA C 83 53.875 53.875 54.107 -0.232 25576 1564 1 3 . 1 1 83 83 GLU CB C 83 33.937 33.937 32.483 1.454 25576 1565 1 3 . 1 1 83 83 GLU H H 83 9.314 9.314 8.451 0.863 25576 1566 1 3 . 1 1 84 84 GLU N N 84 119.063 119.063 120.837 -1.774 25576 1567 1 3 . 1 1 84 84 GLU HA H 84 4.199 4.199 4.253 -0.054 25576 1568 1 3 . 1 1 84 84 GLU C C 84 177.527 177.527 176.473 1.054 25576 1569 1 3 . 1 1 84 84 GLU CA C 84 58.549 58.549 56.667 1.882 25576 1570 1 3 . 1 1 84 84 GLU CB C 84 29.993 29.993 29.621 0.372 25576 1571 1 3 . 1 1 84 84 GLU H H 84 8.341 8.341 8.541 -0.200 25576 1572 1 3 . 1 1 85 85 GLU N N 85 118.840 118.840 117.731 1.109 25576 1573 1 3 . 1 1 85 85 GLU HA H 85 3.645 3.645 3.887 -0.242 25576 1574 1 3 . 1 1 85 85 GLU C C 85 175.047 175.047 175.368 -0.321 25576 1575 1 3 . 1 1 85 85 GLU CA C 85 58.846 58.846 57.945 0.901 25576 1576 1 3 . 1 1 85 85 GLU CB C 85 26.691 26.691 28.912 -2.221 25576 1577 1 3 . 1 1 85 85 GLU H H 85 9.357 9.357 9.122 0.235 25576 1578 1 3 . 1 1 86 86 ASP N N 86 120.217 120.217 119.026 1.191 25576 1579 1 3 . 1 1 86 86 ASP HA H 86 4.880 4.880 4.616 0.264 25576 1580 1 3 . 1 1 86 86 ASP C C 86 174.417 174.417 175.053 -0.636 25576 1581 1 3 . 1 1 86 86 ASP CA C 86 55.822 55.822 55.287 0.535 25576 1582 1 3 . 1 1 86 86 ASP CB C 86 41.926 41.926 42.499 -0.573 25576 1583 1 3 . 1 1 86 86 ASP H H 86 8.155 8.155 7.564 0.591 25576 1584 1 3 . 1 1 87 87 VAL N N 87 116.641 116.641 120.388 -3.747 25576 1585 1 3 . 1 1 87 87 VAL HA H 87 4.924 4.924 5.065 -0.141 25576 1586 1 3 . 1 1 87 87 VAL C C 87 176.064 176.064 174.583 1.481 25576 1587 1 3 . 1 1 87 87 VAL CA C 87 61.311 61.311 60.356 0.955 25576 1588 1 3 . 1 1 87 87 VAL CB C 87 35.067 35.067 35.211 -0.144 25576 1589 1 3 . 1 1 87 87 VAL H H 87 8.191 8.191 8.313 -0.122 25576 1590 1 3 . 1 1 88 88 ILE N N 88 127.353 127.353 127.172 0.181 25576 1591 1 3 . 1 1 88 88 ILE HA H 88 4.845 4.845 4.637 0.208 25576 1592 1 3 . 1 1 88 88 ILE C C 88 174.967 174.967 173.939 1.028 25576 1593 1 3 . 1 1 88 88 ILE CA C 88 59.381 59.381 59.824 -0.443 25576 1594 1 3 . 1 1 88 88 ILE CB C 88 40.984 40.984 40.763 0.222 25576 1595 1 3 . 1 1 88 88 ILE H H 88 9.165 9.165 8.961 0.204 25576 1596 1 3 . 1 1 89 89 GLU N N 89 125.851 125.851 124.037 1.814 25576 1597 1 3 . 1 1 89 89 GLU HA H 89 4.820 4.820 4.665 0.155 25576 1598 1 3 . 1 1 89 89 GLU C C 89 175.262 175.262 174.781 0.481 25576 1599 1 3 . 1 1 89 89 GLU CA C 89 55.158 55.158 54.586 0.572 25576 1600 1 3 . 1 1 89 89 GLU CB C 89 33.359 33.359 32.526 0.833 25576 1601 1 3 . 1 1 89 89 GLU H H 89 8.858 8.858 8.756 0.102 25576 1602 1 3 . 1 1 90 90 VAL N N 90 119.735 119.735 124.895 -5.160 25576 1603 1 3 . 1 1 90 90 VAL HA H 90 4.817 4.817 5.411 -0.594 25576 1604 1 3 . 1 1 90 90 VAL C C 90 174.870 174.870 174.547 0.323 25576 1605 1 3 . 1 1 90 90 VAL CA C 90 59.412 59.412 60.165 -0.753 25576 1606 1 3 . 1 1 90 90 VAL CB C 90 34.031 34.031 34.303 -0.272 25576 1607 1 3 . 1 1 90 90 VAL H H 90 7.770 7.770 7.949 -0.179 25576 1608 1 3 . 1 1 91 91 TYR N N 91 124.243 124.243 124.366 -0.123 25576 1609 1 3 . 1 1 91 91 TYR HA H 91 4.621 4.621 4.720 -0.099 25576 1610 1 3 . 1 1 91 91 TYR C C 91 174.588 174.588 174.592 -0.004 25576 1611 1 3 . 1 1 91 91 TYR CA C 91 56.018 56.018 56.879 -0.861 25576 1612 1 3 . 1 1 91 91 TYR CB C 91 42.641 42.641 42.056 0.584 25576 1613 1 3 . 1 1 91 91 TYR H H 91 8.540 8.540 9.069 -0.529 25576 1614 1 3 . 1 1 92 92 GLN N N 92 120.784 120.784 120.912 -0.128 25576 1615 1 3 . 1 1 92 92 GLN HA H 92 4.529 4.529 4.668 -0.139 25576 1616 1 3 . 1 1 92 92 GLN C C 92 176.679 176.679 175.717 0.962 25576 1617 1 3 . 1 1 92 92 GLN CA C 92 56.135 56.135 55.361 0.774 25576 1618 1 3 . 1 1 92 92 GLN CB C 92 29.342 29.342 29.828 -0.485 25576 1619 1 3 . 1 1 92 92 GLN H H 92 8.726 8.726 8.801 -0.075 25576 1620 1 3 . 1 1 93 93 GLU N N 93 125.131 125.131 123.487 1.644 25576 1621 1 3 . 1 1 93 93 GLU HA H 93 4.364 4.364 4.593 -0.229 25576 1622 1 3 . 1 1 93 93 GLU C C 93 176.244 176.244 176.241 0.003 25576 1623 1 3 . 1 1 93 93 GLU CA C 93 56.111 56.111 55.809 0.303 25576 1624 1 3 . 1 1 93 93 GLU CB C 93 30.517 30.517 30.451 0.066 25576 1625 1 3 . 1 1 93 93 GLU H H 93 8.419 8.419 8.952 -0.533 25576 1626 1 3 . 1 1 94 94 GLN N N 94 122.912 122.912 120.085 2.827 25576 1627 1 3 . 1 1 94 94 GLN HA H 94 4.439 4.439 4.224 0.215 25576 1628 1 3 . 1 1 94 94 GLN C C 94 176.135 176.135 176.553 -0.418 25576 1629 1 3 . 1 1 94 94 GLN CA C 94 55.585 55.585 56.628 -1.043 25576 1630 1 3 . 1 1 94 94 GLN CB C 94 29.513 29.513 29.245 0.268 25576 1631 1 3 . 1 1 94 94 GLN H H 94 8.780 8.780 8.079 0.701 25576 1632 1 3 . 1 1 95 95 THR N N 95 116.094 116.094 111.229 4.865 25576 1633 1 3 . 1 1 95 95 THR HA H 95 4.294 4.294 4.562 -0.268 25576 1634 1 3 . 1 1 95 95 THR C C 95 175.136 175.136 172.999 2.137 25576 1635 1 3 . 1 1 95 95 THR CA C 95 61.971 61.971 61.488 0.483 25576 1636 1 3 . 1 1 95 95 THR CB C 95 69.829 69.829 70.614 -0.785 25576 1637 1 3 . 1 1 95 95 THR H H 95 8.392 8.392 8.618 -0.226 25576 1638 1 3 . 1 1 96 96 GLY N N 96 111.858 111.858 111.556 0.302 25576 1639 1 3 . 1 1 96 96 GLY C C 96 173.704 173.704 173.648 0.056 25576 1640 1 3 . 1 1 96 96 GLY CA C 96 45.424 45.424 45.234 0.190 25576 1641 1 3 . 1 1 96 96 GLY H H 96 8.508 8.508 8.693 -0.185 25576 1642 1 4 . 1 1 2 2 SER N N 2 116.367 116.367 116.243 0.124 25576 1643 1 4 . 1 1 2 2 SER HA H 2 4.458 4.458 4.613 -0.155 25576 1644 1 4 . 1 1 2 2 SER C C 2 174.579 174.579 175.032 -0.453 25576 1645 1 4 . 1 1 2 2 SER CA C 2 58.539 58.539 59.694 -1.155 25576 1646 1 4 . 1 1 2 2 SER CB C 2 63.940 63.940 63.653 0.287 25576 1647 1 4 . 1 1 2 2 SER H H 2 8.127 8.127 8.187 -0.060 25576 1648 1 4 . 1 1 3 3 ASP N N 3 122.355 122.355 120.722 1.633 25576 1649 1 4 . 1 1 3 3 ASP HA H 3 4.566 4.566 4.607 -0.041 25576 1650 1 4 . 1 1 3 3 ASP C C 3 176.445 176.445 175.147 1.298 25576 1651 1 4 . 1 1 3 3 ASP CA C 3 54.819 54.819 54.080 0.739 25576 1652 1 4 . 1 1 3 3 ASP CB C 3 40.939 40.939 39.355 1.584 25576 1653 1 4 . 1 1 3 3 ASP H H 3 8.360 8.360 8.522 -0.162 25576 1654 1 4 . 1 1 4 4 GLN N N 4 119.955 119.955 117.607 2.348 25576 1655 1 4 . 1 1 4 4 GLN HA H 4 4.262 4.262 4.438 -0.176 25576 1656 1 4 . 1 1 4 4 GLN C C 4 176.138 176.138 173.717 2.421 25576 1657 1 4 . 1 1 4 4 GLN CA C 4 55.933 55.933 55.284 0.649 25576 1658 1 4 . 1 1 4 4 GLN CB C 4 29.411 29.411 30.766 -1.355 25576 1659 1 4 . 1 1 4 4 GLN H H 4 8.250 8.250 7.404 0.846 25576 1660 1 4 . 1 1 5 5 GLU N N 5 121.392 121.392 119.031 2.361 25576 1661 1 4 . 1 1 5 5 GLU HA H 5 4.203 4.203 4.573 -0.370 25576 1662 1 4 . 1 1 5 5 GLU C C 5 176.137 176.137 174.476 1.661 25576 1663 1 4 . 1 1 5 5 GLU CA C 5 56.480 56.480 55.736 0.744 25576 1664 1 4 . 1 1 5 5 GLU CB C 5 30.261 30.261 31.522 -1.261 25576 1665 1 4 . 1 1 5 5 GLU H H 5 8.292 8.292 8.429 -0.137 25576 1666 1 4 . 1 1 6 6 ALA N N 6 125.339 125.339 124.954 0.385 25576 1667 1 4 . 1 1 6 6 ALA HA H 6 4.261 4.261 4.805 -0.544 25576 1668 1 4 . 1 1 6 6 ALA C C 6 177.348 177.348 176.164 1.184 25576 1669 1 4 . 1 1 6 6 ALA CA C 6 52.319 52.319 52.023 0.297 25576 1670 1 4 . 1 1 6 6 ALA CB C 6 19.120 19.120 19.822 -0.702 25576 1671 1 4 . 1 1 6 6 ALA H H 6 8.253 8.253 8.555 -0.302 25576 1672 1 4 . 1 1 7 7 LYS N N 7 122.299 122.299 122.472 -0.173 25576 1673 1 4 . 1 1 7 7 LYS HA H 7 4.573 4.573 4.671 -0.098 25576 1674 1 4 . 1 1 7 7 LYS CA C 7 54.062 54.062 54.859 -0.797 25576 1675 1 4 . 1 1 7 7 LYS CB C 7 32.588 32.588 32.428 0.160 25576 1676 1 4 . 1 1 7 7 LYS H H 7 8.302 8.302 8.353 -0.051 25576 1677 1 4 . 1 1 8 8 PRO HA H 8 4.425 4.425 4.571 -0.146 25576 1678 1 4 . 1 1 8 8 PRO C C 8 177.020 177.020 176.046 0.974 25576 1679 1 4 . 1 1 8 8 PRO CA C 8 63.029 63.029 62.691 0.339 25576 1680 1 4 . 1 1 8 8 PRO CB C 8 32.158 32.158 32.013 0.145 25576 1681 1 4 . 1 1 9 9 SER N N 9 116.888 116.888 113.783 3.105 25576 1682 1 4 . 1 1 9 9 SER HA H 9 4.479 4.479 4.361 0.118 25576 1683 1 4 . 1 1 9 9 SER C C 9 174.261 174.261 175.419 -1.158 25576 1684 1 4 . 1 1 9 9 SER CA C 9 58.299 58.299 59.078 -0.779 25576 1685 1 4 . 1 1 9 9 SER CB C 9 63.848 63.848 62.831 1.018 25576 1686 1 4 . 1 1 9 9 SER H H 9 8.596 8.596 8.539 0.057 25576 1687 1 4 . 1 1 10 10 THR N N 10 115.838 115.838 115.191 0.647 25576 1688 1 4 . 1 1 10 10 THR HA H 10 4.334 4.334 4.250 0.084 25576 1689 1 4 . 1 1 10 10 THR C C 10 176.158 176.158 175.099 1.059 25576 1690 1 4 . 1 1 10 10 THR CA C 10 61.966 61.966 63.057 -1.091 25576 1691 1 4 . 1 1 10 10 THR CB C 10 69.581 69.581 69.078 0.503 25576 1692 1 4 . 1 1 10 10 THR H H 10 8.247 8.247 8.451 -0.204 25576 1693 1 4 . 1 1 11 11 GLU N N 11 122.975 122.975 121.242 1.733 25576 1694 1 4 . 1 1 11 11 GLU HA H 11 4.237 4.237 4.482 -0.245 25576 1695 1 4 . 1 1 11 11 GLU C C 11 175.920 175.920 175.764 0.156 25576 1696 1 4 . 1 1 11 11 GLU CA C 11 56.779 56.779 55.394 1.385 25576 1697 1 4 . 1 1 11 11 GLU CB C 11 29.869 29.869 30.000 -0.131 25576 1698 1 4 . 1 1 11 11 GLU H H 11 8.355 8.355 7.952 0.403 25576 1699 1 4 . 1 1 12 12 ASP N N 12 122.117 122.117 119.884 2.233 25576 1700 1 4 . 1 1 12 12 ASP HA H 12 4.562 4.562 4.825 -0.263 25576 1701 1 4 . 1 1 12 12 ASP C C 12 176.402 176.402 175.573 0.829 25576 1702 1 4 . 1 1 12 12 ASP CA C 12 54.224 54.224 53.819 0.405 25576 1703 1 4 . 1 1 12 12 ASP CB C 12 41.161 41.161 41.283 -0.122 25576 1704 1 4 . 1 1 12 12 ASP H H 12 8.411 8.411 8.488 -0.077 25576 1705 1 4 . 1 1 13 13 LEU N N 13 123.695 123.695 123.228 0.467 25576 1706 1 4 . 1 1 13 13 LEU HA H 13 4.306 4.306 4.839 -0.533 25576 1707 1 4 . 1 1 13 13 LEU C C 13 178.231 178.231 176.364 1.867 25576 1708 1 4 . 1 1 13 13 LEU CA C 13 55.384 55.384 54.263 1.121 25576 1709 1 4 . 1 1 13 13 LEU CB C 13 42.132 42.132 43.910 -1.778 25576 1710 1 4 . 1 1 13 13 LEU H H 13 8.391 8.391 8.226 0.165 25576 1711 1 4 . 1 1 14 14 GLY N N 14 108.928 108.928 107.806 1.122 25576 1712 1 4 . 1 1 14 14 GLY C C 14 174.014 174.014 173.015 0.999 25576 1713 1 4 . 1 1 14 14 GLY CA C 14 45.600 45.600 44.561 1.039 25576 1714 1 4 . 1 1 14 14 GLY H H 14 8.456 8.456 8.444 0.012 25576 1715 1 4 . 1 1 15 15 ASP N N 15 120.427 120.427 121.269 -0.842 25576 1716 1 4 . 1 1 15 15 ASP HA H 15 4.544 4.544 4.784 -0.240 25576 1717 1 4 . 1 1 15 15 ASP C C 15 176.810 176.810 175.627 1.183 25576 1718 1 4 . 1 1 15 15 ASP CA C 15 54.389 54.389 54.069 0.320 25576 1719 1 4 . 1 1 15 15 ASP CB C 15 41.153 41.153 41.726 -0.573 25576 1720 1 4 . 1 1 15 15 ASP H H 15 8.207 8.207 8.337 -0.130 25576 1721 1 4 . 1 1 16 16 LYS N N 16 121.257 121.257 123.907 -2.650 25576 1722 1 4 . 1 1 16 16 LYS HA H 16 4.269 4.269 4.640 -0.371 25576 1723 1 4 . 1 1 16 16 LYS C C 16 176.470 176.470 176.484 -0.014 25576 1724 1 4 . 1 1 16 16 LYS CA C 16 56.579 56.579 55.116 1.463 25576 1725 1 4 . 1 1 16 16 LYS CB C 16 29.470 29.470 33.979 -4.509 25576 1726 1 4 . 1 1 16 16 LYS H H 16 8.302 8.302 8.475 -0.173 25576 1727 1 4 . 1 1 17 17 LYS N N 17 122.205 122.205 123.714 -1.509 25576 1728 1 4 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.284 -0.017 25576 1729 1 4 . 1 1 17 17 LYS C C 17 176.837 176.837 176.613 0.224 25576 1730 1 4 . 1 1 17 17 LYS CA C 17 56.177 56.177 56.410 -0.233 25576 1731 1 4 . 1 1 17 17 LYS CB C 17 32.684 32.684 32.990 -0.306 25576 1732 1 4 . 1 1 17 17 LYS H H 17 8.383 8.383 8.588 -0.205 25576 1733 1 4 . 1 1 18 18 GLU N N 18 121.859 121.859 119.052 2.807 25576 1734 1 4 . 1 1 18 18 GLU HA H 18 4.252 4.252 4.037 0.215 25576 1735 1 4 . 1 1 18 18 GLU C C 18 176.964 176.964 176.104 0.860 25576 1736 1 4 . 1 1 18 18 GLU CA C 18 57.094 57.094 54.908 2.186 25576 1737 1 4 . 1 1 18 18 GLU CB C 18 30.261 30.261 30.798 -0.537 25576 1738 1 4 . 1 1 18 18 GLU H H 18 8.497 8.497 8.227 0.270 25576 1739 1 4 . 1 1 19 19 GLY N N 19 109.716 109.716 108.197 1.519 25576 1740 1 4 . 1 1 19 19 GLY C C 19 173.520 173.520 173.976 -0.456 25576 1741 1 4 . 1 1 19 19 GLY CA C 19 45.386 45.386 46.055 -0.669 25576 1742 1 4 . 1 1 19 19 GLY H H 19 8.447 8.447 7.927 0.520 25576 1743 1 4 . 1 1 20 20 GLU N N 20 119.640 119.640 120.571 -0.931 25576 1744 1 4 . 1 1 20 20 GLU HA H 20 4.255 4.255 4.579 -0.324 25576 1745 1 4 . 1 1 20 20 GLU C C 20 175.453 175.453 175.421 0.032 25576 1746 1 4 . 1 1 20 20 GLU CA C 20 56.726 56.726 55.917 0.809 25576 1747 1 4 . 1 1 20 20 GLU CB C 20 30.806 30.806 30.384 0.422 25576 1748 1 4 . 1 1 20 20 GLU H H 20 8.227 8.227 8.640 -0.413 25576 1749 1 4 . 1 1 21 21 TYR N N 21 119.301 119.301 114.775 4.526 25576 1750 1 4 . 1 1 21 21 TYR HA H 21 5.083 5.083 5.311 -0.228 25576 1751 1 4 . 1 1 21 21 TYR C C 21 175.805 175.805 174.051 1.754 25576 1752 1 4 . 1 1 21 21 TYR CA C 21 57.427 57.427 55.212 2.215 25576 1753 1 4 . 1 1 21 21 TYR CB C 21 41.620 41.620 40.336 1.284 25576 1754 1 4 . 1 1 21 21 TYR H H 21 8.367 8.367 7.056 1.311 25576 1755 1 4 . 1 1 22 22 ILE N N 22 116.642 116.642 116.453 0.189 25576 1756 1 4 . 1 1 22 22 ILE HA H 22 4.787 4.787 4.692 0.095 25576 1757 1 4 . 1 1 22 22 ILE C C 22 173.467 173.467 174.533 -1.066 25576 1758 1 4 . 1 1 22 22 ILE CA C 22 59.685 59.685 58.879 0.806 25576 1759 1 4 . 1 1 22 22 ILE CB C 22 42.383 42.383 41.194 1.189 25576 1760 1 4 . 1 1 22 22 ILE H H 22 9.151 9.151 8.896 0.255 25576 1761 1 4 . 1 1 23 23 LYS N N 23 124.306 124.306 119.371 4.935 25576 1762 1 4 . 1 1 23 23 LYS HA H 23 5.289 5.289 5.019 0.270 25576 1763 1 4 . 1 1 23 23 LYS C C 23 175.553 175.553 175.502 0.051 25576 1764 1 4 . 1 1 23 23 LYS CA C 23 55.629 55.629 55.382 0.247 25576 1765 1 4 . 1 1 23 23 LYS CB C 23 33.744 33.744 34.488 -0.744 25576 1766 1 4 . 1 1 23 23 LYS H H 23 8.623 8.623 8.237 0.386 25576 1767 1 4 . 1 1 24 24 LEU N N 24 124.177 124.177 122.142 2.035 25576 1768 1 4 . 1 1 24 24 LEU HA H 24 4.974 4.974 5.224 -0.250 25576 1769 1 4 . 1 1 24 24 LEU C C 24 175.910 175.910 174.566 1.344 25576 1770 1 4 . 1 1 24 24 LEU CA C 24 52.835 52.835 53.769 -0.934 25576 1771 1 4 . 1 1 24 24 LEU CB C 24 46.661 46.661 46.988 -0.327 25576 1772 1 4 . 1 1 24 24 LEU H H 24 8.940 8.940 9.128 -0.188 25576 1773 1 4 . 1 1 25 25 LYS N N 25 120.635 120.635 120.057 0.578 25576 1774 1 4 . 1 1 25 25 LYS HA H 25 4.714 4.714 4.702 0.012 25576 1775 1 4 . 1 1 25 25 LYS C C 25 174.125 174.125 173.997 0.128 25576 1776 1 4 . 1 1 25 25 LYS CA C 25 55.122 55.122 53.851 1.271 25576 1777 1 4 . 1 1 25 25 LYS CB C 25 34.919 34.919 36.615 -1.696 25576 1778 1 4 . 1 1 25 25 LYS H H 25 8.621 8.621 8.538 0.083 25576 1779 1 4 . 1 1 26 26 VAL N N 26 124.130 124.130 123.956 0.174 25576 1780 1 4 . 1 1 26 26 VAL HA H 26 5.043 5.043 4.797 0.246 25576 1781 1 4 . 1 1 26 26 VAL C C 26 176.195 176.195 174.583 1.612 25576 1782 1 4 . 1 1 26 26 VAL CA C 26 61.193 61.193 60.034 1.159 25576 1783 1 4 . 1 1 26 26 VAL CB C 26 32.270 32.270 35.361 -3.091 25576 1784 1 4 . 1 1 26 26 VAL H H 26 9.113 9.113 8.590 0.523 25576 1785 1 4 . 1 1 27 27 ILE N N 27 128.245 128.245 126.873 1.372 25576 1786 1 4 . 1 1 27 27 ILE HA H 27 5.012 5.012 4.510 0.502 25576 1787 1 4 . 1 1 27 27 ILE C C 27 175.976 175.976 175.315 0.661 25576 1788 1 4 . 1 1 27 27 ILE CA C 27 59.910 59.910 58.511 1.399 25576 1789 1 4 . 1 1 27 27 ILE CB C 27 39.851 39.851 37.357 2.494 25576 1790 1 4 . 1 1 27 27 ILE H H 27 9.063 9.063 8.538 0.525 25576 1791 1 4 . 1 1 28 28 GLY N N 28 113.332 113.332 112.695 0.637 25576 1792 1 4 . 1 1 28 28 GLY C C 28 175.505 175.505 175.461 0.044 25576 1793 1 4 . 1 1 28 28 GLY CA C 28 43.958 43.958 44.086 -0.128 25576 1794 1 4 . 1 1 28 28 GLY H H 28 8.485 8.485 8.246 0.239 25576 1795 1 4 . 1 1 29 29 GLN N N 29 120.493 120.493 118.569 1.924 25576 1796 1 4 . 1 1 29 29 GLN HA H 29 4.113 4.113 4.052 0.061 25576 1797 1 4 . 1 1 29 29 GLN C C 29 176.003 176.003 177.107 -1.104 25576 1798 1 4 . 1 1 29 29 GLN CA C 29 57.808 57.808 57.951 -0.143 25576 1799 1 4 . 1 1 29 29 GLN CB C 29 28.735 28.735 28.631 0.104 25576 1800 1 4 . 1 1 29 29 GLN H H 29 8.768 8.768 8.830 -0.062 25576 1801 1 4 . 1 1 30 30 ASP N N 30 118.342 118.342 116.834 1.508 25576 1802 1 4 . 1 1 30 30 ASP HA H 30 4.537 4.537 4.672 -0.135 25576 1803 1 4 . 1 1 30 30 ASP C C 30 176.461 176.461 175.770 0.691 25576 1804 1 4 . 1 1 30 30 ASP CA C 30 53.271 53.271 53.385 -0.114 25576 1805 1 4 . 1 1 30 30 ASP CB C 30 39.867 39.867 40.614 -0.747 25576 1806 1 4 . 1 1 30 30 ASP H H 30 8.335 8.335 8.302 0.033 25576 1807 1 4 . 1 1 31 31 SER N N 31 111.069 111.069 112.741 -1.672 25576 1808 1 4 . 1 1 31 31 SER HA H 31 4.044 4.044 4.146 -0.102 25576 1809 1 4 . 1 1 31 31 SER C C 31 173.554 173.554 173.253 0.301 25576 1810 1 4 . 1 1 31 31 SER CA C 31 60.529 60.529 59.131 1.398 25576 1811 1 4 . 1 1 31 31 SER CB C 31 62.268 62.268 62.183 0.085 25576 1812 1 4 . 1 1 31 31 SER H H 31 7.997 7.997 7.795 0.202 25576 1813 1 4 . 1 1 32 32 SER N N 32 117.489 117.489 116.522 0.967 25576 1814 1 4 . 1 1 32 32 SER HA H 32 4.380 4.380 4.373 0.007 25576 1815 1 4 . 1 1 32 32 SER C C 32 173.550 173.550 174.539 -0.989 25576 1816 1 4 . 1 1 32 32 SER CA C 32 58.590 58.590 58.673 -0.083 25576 1817 1 4 . 1 1 32 32 SER CB C 32 64.008 64.008 63.544 0.464 25576 1818 1 4 . 1 1 32 32 SER H H 32 8.081 8.081 8.001 0.080 25576 1819 1 4 . 1 1 33 33 GLU N N 33 121.738 121.738 129.237 -7.499 25576 1820 1 4 . 1 1 33 33 GLU HA H 33 5.131 5.131 5.163 -0.032 25576 1821 1 4 . 1 1 33 33 GLU C C 33 175.317 175.317 175.858 -0.541 25576 1822 1 4 . 1 1 33 33 GLU CA C 33 55.212 55.212 55.517 -0.305 25576 1823 1 4 . 1 1 33 33 GLU CB C 33 32.596 32.596 30.283 2.313 25576 1824 1 4 . 1 1 33 33 GLU H H 33 8.616 8.616 8.563 0.053 25576 1825 1 4 . 1 1 34 34 ILE N N 34 124.389 124.389 124.885 -0.496 25576 1826 1 4 . 1 1 34 34 ILE HA H 34 4.359 4.359 4.467 -0.108 25576 1827 1 4 . 1 1 34 34 ILE C C 34 174.612 174.612 175.047 -0.435 25576 1828 1 4 . 1 1 34 34 ILE CA C 34 60.266 60.266 59.445 0.821 25576 1829 1 4 . 1 1 34 34 ILE CB C 34 40.906 40.906 39.812 1.094 25576 1830 1 4 . 1 1 34 34 ILE H H 34 8.670 8.670 8.449 0.221 25576 1831 1 4 . 1 1 35 35 HIS N N 35 125.683 125.683 124.573 1.110 25576 1832 1 4 . 1 1 35 35 HIS HA H 35 5.597 5.597 4.790 0.807 25576 1833 1 4 . 1 1 35 35 HIS C C 35 174.902 174.902 174.570 0.332 25576 1834 1 4 . 1 1 35 35 HIS CA C 35 54.765 54.765 54.007 0.758 25576 1835 1 4 . 1 1 35 35 HIS CB C 35 32.411 32.411 32.370 0.041 25576 1836 1 4 . 1 1 35 35 HIS H H 35 8.699 8.699 8.656 0.043 25576 1837 1 4 . 1 1 36 36 PHE N N 36 119.920 119.920 120.865 -0.945 25576 1838 1 4 . 1 1 36 36 PHE HA H 36 4.949 4.949 5.050 -0.101 25576 1839 1 4 . 1 1 36 36 PHE C C 36 174.000 174.000 173.342 0.658 25576 1840 1 4 . 1 1 36 36 PHE CA C 36 57.003 57.003 56.163 0.839 25576 1841 1 4 . 1 1 36 36 PHE CB C 36 44.431 44.431 41.476 2.955 25576 1842 1 4 . 1 1 36 36 PHE H H 36 9.103 9.103 8.057 1.046 25576 1843 1 4 . 1 1 37 37 LYS N N 37 123.747 123.747 121.960 1.787 25576 1844 1 4 . 1 1 37 37 LYS HA H 37 4.294 4.294 5.199 -0.905 25576 1845 1 4 . 1 1 37 37 LYS C C 37 176.145 176.145 175.285 0.860 25576 1846 1 4 . 1 1 37 37 LYS CA C 37 55.448 55.448 55.554 -0.106 25576 1847 1 4 . 1 1 37 37 LYS CB C 37 33.467 33.467 34.234 -0.767 25576 1848 1 4 . 1 1 37 37 LYS H H 37 8.787 8.787 8.489 0.298 25576 1849 1 4 . 1 1 38 38 VAL N N 38 119.736 119.736 118.456 1.280 25576 1850 1 4 . 1 1 38 38 VAL HA H 38 4.957 4.957 4.615 0.342 25576 1851 1 4 . 1 1 38 38 VAL C C 38 174.245 174.245 174.207 0.038 25576 1852 1 4 . 1 1 38 38 VAL CA C 38 58.935 58.935 59.392 -0.458 25576 1853 1 4 . 1 1 38 38 VAL CB C 38 35.429 35.429 35.413 0.016 25576 1854 1 4 . 1 1 38 38 VAL H H 38 9.138 9.138 8.721 0.417 25576 1855 1 4 . 1 1 39 39 LYS N N 39 122.359 122.359 120.726 1.633 25576 1856 1 4 . 1 1 39 39 LYS HA H 39 3.837 3.837 4.500 -0.663 25576 1857 1 4 . 1 1 39 39 LYS C C 39 179.383 179.383 178.149 1.234 25576 1858 1 4 . 1 1 39 39 LYS CA C 39 56.814 56.814 56.280 0.534 25576 1859 1 4 . 1 1 39 39 LYS CB C 39 30.576 30.576 33.915 -3.339 25576 1860 1 4 . 1 1 39 39 LYS H H 39 8.611 8.611 8.353 0.258 25576 1861 1 4 . 1 1 40 40 MET N N 40 119.929 119.929 120.992 -1.063 25576 1862 1 4 . 1 1 40 40 MET HA H 40 4.103 4.103 4.343 -0.240 25576 1863 1 4 . 1 1 40 40 MET C C 40 176.546 176.546 177.557 -1.011 25576 1864 1 4 . 1 1 40 40 MET CA C 40 57.320 57.320 58.949 -1.629 25576 1865 1 4 . 1 1 40 40 MET CB C 40 30.903 30.903 32.751 -1.848 25576 1866 1 4 . 1 1 40 40 MET H H 40 8.562 8.562 9.238 -0.676 25576 1867 1 4 . 1 1 41 41 THR N N 41 100.263 100.263 109.207 -8.944 25576 1868 1 4 . 1 1 41 41 THR HA H 41 4.349 4.349 4.278 0.071 25576 1869 1 4 . 1 1 41 41 THR C C 41 174.506 174.506 174.401 0.105 25576 1870 1 4 . 1 1 41 41 THR CA C 41 60.147 60.147 60.912 -0.765 25576 1871 1 4 . 1 1 41 41 THR CB C 41 68.836 68.836 68.476 0.360 25576 1872 1 4 . 1 1 41 41 THR H H 41 6.974 6.974 8.022 -1.048 25576 1873 1 4 . 1 1 42 42 THR N N 42 120.616 120.616 116.629 3.987 25576 1874 1 4 . 1 1 42 42 THR HA H 42 4.187 4.187 4.298 -0.111 25576 1875 1 4 . 1 1 42 42 THR C C 42 174.052 174.052 173.154 0.898 25576 1876 1 4 . 1 1 42 42 THR CA C 42 63.153 63.153 61.136 2.017 25576 1877 1 4 . 1 1 42 42 THR CB C 42 69.645 69.645 70.333 -0.688 25576 1878 1 4 . 1 1 42 42 THR H H 42 7.192 7.192 7.238 -0.046 25576 1879 1 4 . 1 1 43 43 HIS N N 43 126.236 126.236 120.614 5.622 25576 1880 1 4 . 1 1 43 43 HIS HA H 43 4.411 4.411 4.601 -0.190 25576 1881 1 4 . 1 1 43 43 HIS C C 43 178.431 178.431 176.621 1.810 25576 1882 1 4 . 1 1 43 43 HIS CA C 43 57.366 57.366 56.028 1.339 25576 1883 1 4 . 1 1 43 43 HIS CB C 43 30.155 30.155 31.010 -0.855 25576 1884 1 4 . 1 1 43 43 HIS H H 43 8.807 8.807 8.525 0.282 25576 1885 1 4 . 1 1 44 44 LEU N N 44 124.757 124.757 124.381 0.376 25576 1886 1 4 . 1 1 44 44 LEU HA H 44 3.983 3.983 4.048 -0.065 25576 1887 1 4 . 1 1 44 44 LEU C C 44 177.051 177.051 178.174 -1.123 25576 1888 1 4 . 1 1 44 44 LEU CA C 44 58.790 58.790 56.357 2.433 25576 1889 1 4 . 1 1 44 44 LEU CB C 44 41.240 41.240 40.980 0.260 25576 1890 1 4 . 1 1 44 44 LEU H H 44 9.349 9.349 9.055 0.294 25576 1891 1 4 . 1 1 45 45 LYS N N 45 121.424 121.424 118.873 2.551 25576 1892 1 4 . 1 1 45 45 LYS HA H 45 3.584 3.584 3.905 -0.321 25576 1893 1 4 . 1 1 45 45 LYS C C 45 176.867 176.867 178.423 -1.556 25576 1894 1 4 . 1 1 45 45 LYS CA C 45 60.662 60.662 59.515 1.147 25576 1895 1 4 . 1 1 45 45 LYS CB C 45 33.389 33.389 31.484 1.905 25576 1896 1 4 . 1 1 45 45 LYS H H 45 8.543 8.543 7.698 0.845 25576 1897 1 4 . 1 1 46 46 LYS N N 46 114.033 114.033 118.247 -4.214 25576 1898 1 4 . 1 1 46 46 LYS HA H 46 4.087 4.087 3.974 0.113 25576 1899 1 4 . 1 1 46 46 LYS C C 46 178.977 178.977 178.261 0.716 25576 1900 1 4 . 1 1 46 46 LYS CA C 46 58.615 58.615 58.772 -0.157 25576 1901 1 4 . 1 1 46 46 LYS CB C 46 31.643 31.643 31.446 0.197 25576 1902 1 4 . 1 1 46 46 LYS H H 46 7.517 7.517 7.573 -0.056 25576 1903 1 4 . 1 1 47 47 LEU N N 47 121.871 121.871 120.548 1.323 25576 1904 1 4 . 1 1 47 47 LEU HA H 47 3.660 3.660 3.779 -0.119 25576 1905 1 4 . 1 1 47 47 LEU C C 47 177.575 177.575 178.196 -0.621 25576 1906 1 4 . 1 1 47 47 LEU CA C 47 58.514 58.514 57.909 0.605 25576 1907 1 4 . 1 1 47 47 LEU CB C 47 41.890 41.890 41.574 0.316 25576 1908 1 4 . 1 1 47 47 LEU H H 47 6.739 6.739 7.138 -0.399 25576 1909 1 4 . 1 1 48 48 LYS N N 48 118.246 118.246 119.105 -0.859 25576 1910 1 4 . 1 1 48 48 LYS HA H 48 3.081 3.081 4.090 -1.009 25576 1911 1 4 . 1 1 48 48 LYS C C 48 178.700 178.700 178.989 -0.289 25576 1912 1 4 . 1 1 48 48 LYS CA C 48 59.712 59.712 60.494 -0.782 25576 1913 1 4 . 1 1 48 48 LYS CB C 48 32.411 32.411 32.023 0.388 25576 1914 1 4 . 1 1 48 48 LYS H H 48 7.556 7.556 8.414 -0.858 25576 1915 1 4 . 1 1 49 49 GLU N N 49 118.092 118.092 117.863 0.229 25576 1916 1 4 . 1 1 49 49 GLU HA H 49 3.973 3.973 3.945 0.028 25576 1917 1 4 . 1 1 49 49 GLU C C 49 179.453 179.453 178.715 0.738 25576 1918 1 4 . 1 1 49 49 GLU CA C 49 59.627 59.627 59.132 0.495 25576 1919 1 4 . 1 1 49 49 GLU CB C 49 30.120 30.120 28.506 1.614 25576 1920 1 4 . 1 1 49 49 GLU H H 49 8.500 8.500 8.287 0.213 25576 1921 1 4 . 1 1 50 50 SER N N 50 115.646 115.646 117.082 -1.436 25576 1922 1 4 . 1 1 50 50 SER HA H 50 4.260 4.260 4.204 0.056 25576 1923 1 4 . 1 1 50 50 SER C C 50 177.171 177.171 176.549 0.622 25576 1924 1 4 . 1 1 50 50 SER CA C 50 61.947 61.947 61.841 0.106 25576 1925 1 4 . 1 1 50 50 SER CB C 50 63.258 63.258 63.084 0.174 25576 1926 1 4 . 1 1 50 50 SER H H 50 7.966 7.966 7.720 0.246 25576 1927 1 4 . 1 1 51 51 TYR N N 51 122.610 122.610 120.502 2.108 25576 1928 1 4 . 1 1 51 51 TYR HA H 51 4.026 4.026 4.422 -0.396 25576 1929 1 4 . 1 1 51 51 TYR C C 51 177.374 177.374 177.034 0.340 25576 1930 1 4 . 1 1 51 51 TYR CA C 51 63.608 63.608 59.910 3.698 25576 1931 1 4 . 1 1 51 51 TYR CB C 51 38.618 38.618 37.408 1.210 25576 1932 1 4 . 1 1 51 51 TYR H H 51 8.833 8.833 8.077 0.756 25576 1933 1 4 . 1 1 52 52 CYS N N 52 117.395 117.395 119.645 -2.250 25576 1934 1 4 . 1 1 52 52 CYS HA H 52 3.915 3.915 3.737 0.178 25576 1935 1 4 . 1 1 52 52 CYS C C 52 177.182 177.182 176.599 0.583 25576 1936 1 4 . 1 1 52 52 CYS CA C 52 65.108 65.108 64.648 0.460 25576 1937 1 4 . 1 1 52 52 CYS CB C 52 26.151 26.151 27.110 -0.959 25576 1938 1 4 . 1 1 52 52 CYS H H 52 8.676 8.676 7.359 1.317 25576 1939 1 4 . 1 1 53 53 GLN N N 53 119.196 119.196 118.640 0.556 25576 1940 1 4 . 1 1 53 53 GLN HA H 53 4.109 4.109 3.994 0.115 25576 1941 1 4 . 1 1 53 53 GLN C C 53 179.105 179.105 178.218 0.887 25576 1942 1 4 . 1 1 53 53 GLN CA C 53 58.973 58.973 58.283 0.690 25576 1943 1 4 . 1 1 53 53 GLN CB C 53 28.211 28.211 27.963 0.248 25576 1944 1 4 . 1 1 53 53 GLN H H 53 8.322 8.322 7.876 0.446 25576 1945 1 4 . 1 1 54 54 ARG N N 54 120.139 120.139 119.624 0.515 25576 1946 1 4 . 1 1 54 54 ARG HA H 54 4.018 4.018 4.135 -0.117 25576 1947 1 4 . 1 1 54 54 ARG C C 54 178.300 178.300 178.524 -0.224 25576 1948 1 4 . 1 1 54 54 ARG CA C 54 58.552 58.552 58.334 0.218 25576 1949 1 4 . 1 1 54 54 ARG CB C 54 29.669 29.669 29.901 -0.232 25576 1950 1 4 . 1 1 54 54 ARG H H 54 8.011 8.011 7.685 0.326 25576 1951 1 4 . 1 1 55 55 GLN N N 55 114.160 114.160 116.462 -2.302 25576 1952 1 4 . 1 1 55 55 GLN HA H 55 4.251 4.251 4.363 -0.112 25576 1953 1 4 . 1 1 55 55 GLN C C 55 176.410 176.410 176.994 -0.584 25576 1954 1 4 . 1 1 55 55 GLN CA C 55 55.119 55.119 56.853 -1.734 25576 1955 1 4 . 1 1 55 55 GLN CB C 55 29.424 29.424 29.583 -0.159 25576 1956 1 4 . 1 1 55 55 GLN H H 55 7.806 7.806 7.674 0.132 25576 1957 1 4 . 1 1 56 56 GLY N N 56 109.749 109.749 107.634 2.115 25576 1958 1 4 . 1 1 56 56 GLY C C 56 174.908 174.908 174.023 0.885 25576 1959 1 4 . 1 1 56 56 GLY CA C 56 46.658 46.658 45.255 1.403 25576 1960 1 4 . 1 1 56 56 GLY H H 56 7.932 7.932 7.703 0.229 25576 1961 1 4 . 1 1 57 57 VAL N N 57 111.990 111.990 115.478 -3.488 25576 1962 1 4 . 1 1 57 57 VAL HA H 57 4.941 4.941 4.678 0.263 25576 1963 1 4 . 1 1 57 57 VAL CA C 57 57.534 57.534 58.096 -0.562 25576 1964 1 4 . 1 1 57 57 VAL CB C 57 32.697 32.697 33.867 -1.169 25576 1965 1 4 . 1 1 57 57 VAL H H 57 7.651 7.651 7.524 0.127 25576 1966 1 4 . 1 1 58 58 PRO HA H 58 4.528 4.528 4.473 0.055 25576 1967 1 4 . 1 1 58 58 PRO C C 58 179.169 179.169 177.449 1.720 25576 1968 1 4 . 1 1 58 58 PRO CA C 58 62.211 62.211 62.408 -0.197 25576 1969 1 4 . 1 1 58 58 PRO CB C 58 32.543 32.543 32.705 -0.162 25576 1970 1 4 . 1 1 59 59 MET N N 59 124.522 124.522 119.916 4.606 25576 1971 1 4 . 1 1 59 59 MET HA H 59 4.703 4.703 4.187 0.516 25576 1972 1 4 . 1 1 59 59 MET C C 59 177.459 177.459 177.019 0.440 25576 1973 1 4 . 1 1 59 59 MET CA C 59 58.247 58.247 58.217 0.030 25576 1974 1 4 . 1 1 59 59 MET CB C 59 32.795 32.795 32.213 0.582 25576 1975 1 4 . 1 1 59 59 MET H H 59 9.002 9.002 8.576 0.426 25576 1976 1 4 . 1 1 60 60 ASN N N 60 113.185 113.185 114.997 -1.812 25576 1977 1 4 . 1 1 60 60 ASN HA H 60 4.673 4.673 4.647 0.026 25576 1978 1 4 . 1 1 60 60 ASN C C 60 175.674 175.674 175.860 -0.186 25576 1979 1 4 . 1 1 60 60 ASN CA C 60 53.935 53.935 54.231 -0.296 25576 1980 1 4 . 1 1 60 60 ASN CB C 60 37.217 37.217 37.394 -0.177 25576 1981 1 4 . 1 1 60 60 ASN H H 60 8.424 8.424 8.244 0.180 25576 1982 1 4 . 1 1 61 61 SER N N 61 113.092 113.092 114.163 -1.071 25576 1983 1 4 . 1 1 61 61 SER HA H 61 4.500 4.500 4.523 -0.023 25576 1984 1 4 . 1 1 61 61 SER C C 61 173.455 173.455 173.445 0.010 25576 1985 1 4 . 1 1 61 61 SER CA C 61 59.609 59.609 60.097 -0.488 25576 1986 1 4 . 1 1 61 61 SER CB C 61 64.812 64.812 64.043 0.769 25576 1987 1 4 . 1 1 61 61 SER H H 61 7.931 7.931 7.854 0.077 25576 1988 1 4 . 1 1 62 62 LEU N N 62 120.961 120.961 116.254 4.707 25576 1989 1 4 . 1 1 62 62 LEU HA H 62 5.109 5.109 5.000 0.109 25576 1990 1 4 . 1 1 62 62 LEU C C 62 175.588 175.588 175.835 -0.247 25576 1991 1 4 . 1 1 62 62 LEU CA C 62 53.575 53.575 53.011 0.563 25576 1992 1 4 . 1 1 62 62 LEU CB C 62 46.262 46.262 44.946 1.316 25576 1993 1 4 . 1 1 62 62 LEU H H 62 7.265 7.265 7.109 0.156 25576 1994 1 4 . 1 1 63 63 ARG N N 63 120.142 120.142 119.581 0.561 25576 1995 1 4 . 1 1 63 63 ARG HA H 63 4.668 4.668 4.379 0.289 25576 1996 1 4 . 1 1 63 63 ARG C C 63 172.784 172.784 174.877 -2.093 25576 1997 1 4 . 1 1 63 63 ARG CA C 63 54.488 54.488 54.709 -0.221 25576 1998 1 4 . 1 1 63 63 ARG CB C 63 33.111 33.111 32.733 0.378 25576 1999 1 4 . 1 1 63 63 ARG H H 63 8.993 8.993 8.906 0.087 25576 2000 1 4 . 1 1 64 64 PHE N N 64 122.537 122.537 122.625 -0.088 25576 2001 1 4 . 1 1 64 64 PHE HA H 64 4.959 4.959 5.564 -0.605 25576 2002 1 4 . 1 1 64 64 PHE C C 64 174.150 174.150 174.331 -0.181 25576 2003 1 4 . 1 1 64 64 PHE CA C 64 56.347 56.347 54.826 1.521 25576 2004 1 4 . 1 1 64 64 PHE CB C 64 40.762 40.762 39.706 1.056 25576 2005 1 4 . 1 1 64 64 PHE H H 64 8.923 8.923 8.057 0.866 25576 2006 1 4 . 1 1 65 65 LEU N N 65 124.212 124.212 119.583 4.629 25576 2007 1 4 . 1 1 65 65 LEU HA H 65 5.290 5.290 5.646 -0.356 25576 2008 1 4 . 1 1 65 65 LEU C C 65 175.903 175.903 174.350 1.553 25576 2009 1 4 . 1 1 65 65 LEU CA C 65 53.729 53.729 53.592 0.137 25576 2010 1 4 . 1 1 65 65 LEU CB C 65 46.385 46.385 46.146 0.239 25576 2011 1 4 . 1 1 65 65 LEU H H 65 9.738 9.738 9.214 0.524 25576 2012 1 4 . 1 1 66 66 PHE N N 66 119.384 119.384 120.453 -1.069 25576 2013 1 4 . 1 1 66 66 PHE HA H 66 5.202 5.202 5.008 0.194 25576 2014 1 4 . 1 1 66 66 PHE C C 66 175.017 175.017 174.838 0.179 25576 2015 1 4 . 1 1 66 66 PHE CA C 66 56.291 56.291 57.728 -1.437 25576 2016 1 4 . 1 1 66 66 PHE CB C 66 41.700 41.700 42.742 -1.042 25576 2017 1 4 . 1 1 66 66 PHE H H 66 8.968 8.968 9.036 -0.068 25576 2018 1 4 . 1 1 67 67 GLU N N 67 129.196 129.196 124.700 4.496 25576 2019 1 4 . 1 1 67 67 GLU HA H 67 3.540 3.540 3.593 -0.053 25576 2020 1 4 . 1 1 67 67 GLU C C 67 176.778 176.778 176.115 0.663 25576 2021 1 4 . 1 1 67 67 GLU CA C 67 56.769 56.769 56.762 0.007 25576 2022 1 4 . 1 1 67 67 GLU CB C 67 26.897 26.897 27.366 -0.470 25576 2023 1 4 . 1 1 67 67 GLU H H 67 9.381 9.381 8.682 0.699 25576 2024 1 4 . 1 1 68 68 GLY N N 68 103.263 103.263 105.021 -1.758 25576 2025 1 4 . 1 1 68 68 GLY C C 68 173.651 173.651 173.201 0.450 25576 2026 1 4 . 1 1 68 68 GLY CA C 68 45.476 45.476 44.907 0.569 25576 2027 1 4 . 1 1 68 68 GLY H H 68 8.858 8.858 8.270 0.588 25576 2028 1 4 . 1 1 69 69 GLN N N 69 120.732 120.732 118.833 1.899 25576 2029 1 4 . 1 1 69 69 GLN HA H 69 4.589 4.589 4.705 -0.116 25576 2030 1 4 . 1 1 69 69 GLN C C 69 175.204 175.204 174.809 0.395 25576 2031 1 4 . 1 1 69 69 GLN CA C 69 53.776 53.776 54.067 -0.291 25576 2032 1 4 . 1 1 69 69 GLN CB C 69 30.660 30.660 31.810 -1.150 25576 2033 1 4 . 1 1 69 69 GLN H H 69 7.996 7.996 8.071 -0.075 25576 2034 1 4 . 1 1 70 70 ARG N N 70 125.102 125.102 124.942 0.160 25576 2035 1 4 . 1 1 70 70 ARG HA H 70 4.395 4.395 4.619 -0.224 25576 2036 1 4 . 1 1 70 70 ARG C C 70 177.004 177.004 175.448 1.556 25576 2037 1 4 . 1 1 70 70 ARG CA C 70 57.305 57.305 55.837 1.468 25576 2038 1 4 . 1 1 70 70 ARG CB C 70 30.511 30.511 30.722 -0.211 25576 2039 1 4 . 1 1 70 70 ARG H H 70 8.823 8.823 8.791 0.032 25576 2040 1 4 . 1 1 71 71 ILE N N 71 126.949 126.949 123.249 3.700 25576 2041 1 4 . 1 1 71 71 ILE HA H 71 4.477 4.477 4.556 -0.079 25576 2042 1 4 . 1 1 71 71 ILE C C 71 176.145 176.145 174.992 1.153 25576 2043 1 4 . 1 1 71 71 ILE CA C 71 61.337 61.337 58.943 2.394 25576 2044 1 4 . 1 1 71 71 ILE CB C 71 39.067 39.067 36.449 2.618 25576 2045 1 4 . 1 1 71 71 ILE H H 71 9.020 9.020 8.358 0.662 25576 2046 1 4 . 1 1 72 72 ALA N N 72 139.307 139.307 129.857 9.450 25576 2047 1 4 . 1 1 72 72 ALA HA H 72 4.334 4.334 4.327 0.007 25576 2048 1 4 . 1 1 72 72 ALA C C 72 177.973 177.973 178.424 -0.451 25576 2049 1 4 . 1 1 72 72 ALA CA C 72 50.785 50.785 50.415 0.370 25576 2050 1 4 . 1 1 72 72 ALA CB C 72 18.407 18.407 20.335 -1.928 25576 2051 1 4 . 1 1 72 72 ALA H H 72 10.910 10.910 7.845 3.065 25576 2052 1 4 . 1 1 73 73 ASP N N 73 120.493 120.493 119.500 0.993 25576 2053 1 4 . 1 1 73 73 ASP HA H 73 3.823 3.823 4.248 -0.425 25576 2054 1 4 . 1 1 73 73 ASP C C 73 176.104 176.104 176.632 -0.528 25576 2055 1 4 . 1 1 73 73 ASP CA C 73 57.113 57.113 56.969 0.144 25576 2056 1 4 . 1 1 73 73 ASP CB C 73 40.032 40.032 40.672 -0.640 25576 2057 1 4 . 1 1 73 73 ASP H H 73 8.770 8.770 8.647 0.123 25576 2058 1 4 . 1 1 74 74 ASN N N 74 109.526 109.526 113.971 -4.445 25576 2059 1 4 . 1 1 74 74 ASN HA H 74 4.245 4.245 4.091 0.154 25576 2060 1 4 . 1 1 74 74 ASN C C 74 176.050 176.050 174.406 1.644 25576 2061 1 4 . 1 1 74 74 ASN CA C 74 52.073 52.073 52.523 -0.450 25576 2062 1 4 . 1 1 74 74 ASN CB C 74 37.343 37.343 38.233 -0.890 25576 2063 1 4 . 1 1 74 74 ASN H H 74 7.738 7.738 8.075 -0.337 25576 2064 1 4 . 1 1 75 75 HIS N N 75 119.821 119.821 119.916 -0.095 25576 2065 1 4 . 1 1 75 75 HIS HA H 75 4.908 4.908 4.660 0.248 25576 2066 1 4 . 1 1 75 75 HIS C C 75 175.680 175.680 174.178 1.502 25576 2067 1 4 . 1 1 75 75 HIS CA C 75 56.606 56.606 55.620 0.987 25576 2068 1 4 . 1 1 75 75 HIS CB C 75 33.549 33.549 31.386 2.163 25576 2069 1 4 . 1 1 75 75 HIS H H 75 7.149 7.149 7.622 -0.473 25576 2070 1 4 . 1 1 76 76 THR N N 76 108.304 108.304 114.648 -6.344 25576 2071 1 4 . 1 1 76 76 THR HA H 76 5.197 5.197 5.302 -0.105 25576 2072 1 4 . 1 1 76 76 THR CA C 76 57.594 57.594 57.674 -0.080 25576 2073 1 4 . 1 1 76 76 THR CB C 76 70.033 70.033 71.123 -1.090 25576 2074 1 4 . 1 1 76 76 THR H H 76 7.303 7.303 8.308 -1.005 25576 2075 1 4 . 1 1 77 77 PRO HA H 77 4.241 4.241 4.122 0.119 25576 2076 1 4 . 1 1 77 77 PRO C C 77 178.445 178.445 177.915 0.530 25576 2077 1 4 . 1 1 77 77 PRO CA C 77 65.724 65.724 65.182 0.542 25576 2078 1 4 . 1 1 77 77 PRO CB C 77 32.479 32.479 31.871 0.608 25576 2079 1 4 . 1 1 78 78 LYS N N 78 115.329 115.329 116.268 -0.939 25576 2080 1 4 . 1 1 78 78 LYS HA H 78 3.956 3.956 4.082 -0.126 25576 2081 1 4 . 1 1 78 78 LYS C C 78 179.328 179.328 178.807 0.521 25576 2082 1 4 . 1 1 78 78 LYS CA C 78 59.012 59.012 59.084 -0.072 25576 2083 1 4 . 1 1 78 78 LYS CB C 78 32.845 32.845 31.660 1.185 25576 2084 1 4 . 1 1 78 78 LYS H H 78 8.073 8.073 7.573 0.500 25576 2085 1 4 . 1 1 79 79 GLU N N 79 120.840 120.840 119.464 1.376 25576 2086 1 4 . 1 1 79 79 GLU HA H 79 3.957 3.957 4.129 -0.172 25576 2087 1 4 . 1 1 79 79 GLU C C 79 178.566 178.566 178.358 0.208 25576 2088 1 4 . 1 1 79 79 GLU CA C 79 58.790 58.790 58.442 0.348 25576 2089 1 4 . 1 1 79 79 GLU CB C 79 30.290 30.290 29.471 0.819 25576 2090 1 4 . 1 1 79 79 GLU H H 79 7.978 7.978 7.520 0.458 25576 2091 1 4 . 1 1 80 80 LEU N N 80 115.072 115.072 117.579 -2.507 25576 2092 1 4 . 1 1 80 80 LEU HA H 80 4.222 4.222 4.384 -0.162 25576 2093 1 4 . 1 1 80 80 LEU C C 80 176.602 176.602 177.417 -0.815 25576 2094 1 4 . 1 1 80 80 LEU CA C 80 54.613 54.613 54.889 -0.276 25576 2095 1 4 . 1 1 80 80 LEU CB C 80 42.453 42.453 41.888 0.565 25576 2096 1 4 . 1 1 80 80 LEU H H 80 7.486 7.486 7.881 -0.395 25576 2097 1 4 . 1 1 81 81 GLY N N 81 108.019 108.019 107.123 0.896 25576 2098 1 4 . 1 1 81 81 GLY C C 81 175.390 175.390 174.304 1.086 25576 2099 1 4 . 1 1 81 81 GLY CA C 81 46.622 46.622 45.332 1.290 25576 2100 1 4 . 1 1 81 81 GLY H H 81 7.644 7.644 7.414 0.230 25576 2101 1 4 . 1 1 82 82 MET N N 82 117.606 117.606 118.314 -0.708 25576 2102 1 4 . 1 1 82 82 MET HA H 82 4.185 4.185 4.808 -0.623 25576 2103 1 4 . 1 1 82 82 MET C C 82 174.482 174.482 175.222 -0.740 25576 2104 1 4 . 1 1 82 82 MET CA C 82 57.019 57.019 55.157 1.862 25576 2105 1 4 . 1 1 82 82 MET CB C 82 34.089 34.089 35.329 -1.240 25576 2106 1 4 . 1 1 82 82 MET H H 82 7.628 7.628 8.149 -0.521 25576 2107 1 4 . 1 1 83 83 GLU N N 83 120.980 120.980 117.972 3.008 25576 2108 1 4 . 1 1 83 83 GLU HA H 83 4.457 4.457 4.785 -0.328 25576 2109 1 4 . 1 1 83 83 GLU C C 83 174.297 174.297 175.479 -1.182 25576 2110 1 4 . 1 1 83 83 GLU CA C 83 53.875 53.875 54.253 -0.378 25576 2111 1 4 . 1 1 83 83 GLU CB C 83 33.937 33.937 32.372 1.565 25576 2112 1 4 . 1 1 83 83 GLU H H 83 9.314 9.314 8.166 1.148 25576 2113 1 4 . 1 1 84 84 GLU N N 84 119.063 119.063 120.449 -1.386 25576 2114 1 4 . 1 1 84 84 GLU HA H 84 4.199 4.199 4.056 0.143 25576 2115 1 4 . 1 1 84 84 GLU C C 84 177.527 177.527 176.426 1.101 25576 2116 1 4 . 1 1 84 84 GLU CA C 84 58.549 58.549 57.157 1.392 25576 2117 1 4 . 1 1 84 84 GLU CB C 84 29.993 29.993 29.467 0.526 25576 2118 1 4 . 1 1 84 84 GLU H H 84 8.341 8.341 8.603 -0.262 25576 2119 1 4 . 1 1 85 85 GLU N N 85 118.840 118.840 118.960 -0.120 25576 2120 1 4 . 1 1 85 85 GLU HA H 85 3.645 3.645 3.932 -0.287 25576 2121 1 4 . 1 1 85 85 GLU C C 85 175.047 175.047 175.834 -0.787 25576 2122 1 4 . 1 1 85 85 GLU CA C 85 58.846 58.846 58.340 0.506 25576 2123 1 4 . 1 1 85 85 GLU CB C 85 26.691 26.691 29.259 -2.568 25576 2124 1 4 . 1 1 85 85 GLU H H 85 9.357 9.357 8.934 0.423 25576 2125 1 4 . 1 1 86 86 ASP N N 86 120.217 120.217 118.349 1.868 25576 2126 1 4 . 1 1 86 86 ASP HA H 86 4.880 4.880 4.511 0.369 25576 2127 1 4 . 1 1 86 86 ASP C C 86 174.417 174.417 174.452 -0.035 25576 2128 1 4 . 1 1 86 86 ASP CA C 86 55.822 55.822 55.414 0.408 25576 2129 1 4 . 1 1 86 86 ASP CB C 86 41.926 41.926 42.334 -0.408 25576 2130 1 4 . 1 1 86 86 ASP H H 86 8.155 8.155 7.761 0.394 25576 2131 1 4 . 1 1 87 87 VAL N N 87 116.641 116.641 120.576 -3.935 25576 2132 1 4 . 1 1 87 87 VAL HA H 87 4.924 4.924 5.135 -0.211 25576 2133 1 4 . 1 1 87 87 VAL C C 87 176.064 176.064 174.621 1.443 25576 2134 1 4 . 1 1 87 87 VAL CA C 87 61.311 61.311 60.154 1.157 25576 2135 1 4 . 1 1 87 87 VAL CB C 87 35.067 35.067 34.982 0.085 25576 2136 1 4 . 1 1 87 87 VAL H H 87 8.191 8.191 8.301 -0.110 25576 2137 1 4 . 1 1 88 88 ILE N N 88 127.353 127.353 125.747 1.606 25576 2138 1 4 . 1 1 88 88 ILE HA H 88 4.845 4.845 4.617 0.228 25576 2139 1 4 . 1 1 88 88 ILE C C 88 174.967 174.967 173.902 1.065 25576 2140 1 4 . 1 1 88 88 ILE CA C 88 59.381 59.381 60.041 -0.660 25576 2141 1 4 . 1 1 88 88 ILE CB C 88 40.984 40.984 40.893 0.091 25576 2142 1 4 . 1 1 88 88 ILE H H 88 9.165 9.165 9.050 0.115 25576 2143 1 4 . 1 1 89 89 GLU N N 89 125.851 125.851 124.007 1.844 25576 2144 1 4 . 1 1 89 89 GLU HA H 89 4.820 4.820 4.687 0.133 25576 2145 1 4 . 1 1 89 89 GLU C C 89 175.262 175.262 174.917 0.345 25576 2146 1 4 . 1 1 89 89 GLU CA C 89 55.158 55.158 54.945 0.213 25576 2147 1 4 . 1 1 89 89 GLU CB C 89 33.359 33.359 32.166 1.194 25576 2148 1 4 . 1 1 89 89 GLU H H 89 8.858 8.858 8.698 0.160 25576 2149 1 4 . 1 1 90 90 VAL N N 90 119.735 119.735 126.001 -6.266 25576 2150 1 4 . 1 1 90 90 VAL HA H 90 4.817 4.817 5.392 -0.575 25576 2151 1 4 . 1 1 90 90 VAL C C 90 174.870 174.870 174.735 0.135 25576 2152 1 4 . 1 1 90 90 VAL CA C 90 59.412 59.412 60.845 -1.433 25576 2153 1 4 . 1 1 90 90 VAL CB C 90 34.031 34.031 34.428 -0.397 25576 2154 1 4 . 1 1 90 90 VAL H H 90 7.770 7.770 8.225 -0.455 25576 2155 1 4 . 1 1 91 91 TYR N N 91 124.243 124.243 126.015 -1.772 25576 2156 1 4 . 1 1 91 91 TYR HA H 91 4.621 4.621 4.818 -0.197 25576 2157 1 4 . 1 1 91 91 TYR C C 91 174.588 174.588 174.609 -0.021 25576 2158 1 4 . 1 1 91 91 TYR CA C 91 56.018 56.018 56.202 -0.184 25576 2159 1 4 . 1 1 91 91 TYR CB C 91 42.641 42.641 41.989 0.652 25576 2160 1 4 . 1 1 91 91 TYR H H 91 8.540 8.540 9.193 -0.653 25576 2161 1 4 . 1 1 92 92 GLN N N 92 120.784 120.784 119.288 1.496 25576 2162 1 4 . 1 1 92 92 GLN HA H 92 4.529 4.529 4.790 -0.261 25576 2163 1 4 . 1 1 92 92 GLN C C 92 176.679 176.679 175.469 1.210 25576 2164 1 4 . 1 1 92 92 GLN CA C 92 56.135 56.135 55.354 0.781 25576 2165 1 4 . 1 1 92 92 GLN CB C 92 29.342 29.342 30.811 -1.470 25576 2166 1 4 . 1 1 92 92 GLN H H 92 8.726 8.726 8.816 -0.090 25576 2167 1 4 . 1 1 93 93 GLU N N 93 125.131 125.131 122.637 2.494 25576 2168 1 4 . 1 1 93 93 GLU HA H 93 4.364 4.364 4.589 -0.225 25576 2169 1 4 . 1 1 93 93 GLU C C 93 176.244 176.244 176.652 -0.408 25576 2170 1 4 . 1 1 93 93 GLU CA C 93 56.111 56.111 55.603 0.508 25576 2171 1 4 . 1 1 93 93 GLU CB C 93 30.517 30.517 30.656 -0.139 25576 2172 1 4 . 1 1 93 93 GLU H H 93 8.419 8.419 8.998 -0.579 25576 2173 1 4 . 1 1 94 94 GLN N N 94 122.912 122.912 120.362 2.550 25576 2174 1 4 . 1 1 94 94 GLN HA H 94 4.439 4.439 4.251 0.188 25576 2175 1 4 . 1 1 94 94 GLN C C 94 176.135 176.135 176.385 -0.250 25576 2176 1 4 . 1 1 94 94 GLN CA C 94 55.585 55.585 56.923 -1.338 25576 2177 1 4 . 1 1 94 94 GLN CB C 94 29.513 29.513 29.283 0.230 25576 2178 1 4 . 1 1 94 94 GLN H H 94 8.780 8.780 8.101 0.679 25576 2179 1 4 . 1 1 95 95 THR N N 95 116.094 116.094 110.010 6.084 25576 2180 1 4 . 1 1 95 95 THR HA H 95 4.294 4.294 4.575 -0.281 25576 2181 1 4 . 1 1 95 95 THR C C 95 175.136 175.136 173.098 2.038 25576 2182 1 4 . 1 1 95 95 THR CA C 95 61.971 61.971 61.614 0.357 25576 2183 1 4 . 1 1 95 95 THR CB C 95 69.829 69.829 70.173 -0.344 25576 2184 1 4 . 1 1 95 95 THR H H 95 8.392 8.392 8.661 -0.269 25576 2185 1 4 . 1 1 96 96 GLY N N 96 111.858 111.858 108.700 3.158 25576 2186 1 4 . 1 1 96 96 GLY C C 96 173.704 173.704 173.116 0.588 25576 2187 1 4 . 1 1 96 96 GLY CA C 96 45.424 45.424 45.462 -0.037 25576 2188 1 4 . 1 1 96 96 GLY H H 96 8.508 8.508 8.736 -0.228 25576 2189 1 5 . 1 1 2 2 SER N N 2 116.367 116.367 117.405 -1.038 25576 2190 1 5 . 1 1 2 2 SER HA H 2 4.458 4.458 4.289 0.169 25576 2191 1 5 . 1 1 2 2 SER C C 2 174.579 174.579 175.193 -0.614 25576 2192 1 5 . 1 1 2 2 SER CA C 2 58.539 58.539 60.251 -1.712 25576 2193 1 5 . 1 1 2 2 SER CB C 2 63.940 63.940 63.528 0.412 25576 2194 1 5 . 1 1 2 2 SER H H 2 8.127 8.127 8.037 0.090 25576 2195 1 5 . 1 1 3 3 ASP N N 3 122.355 122.355 118.074 4.281 25576 2196 1 5 . 1 1 3 3 ASP HA H 3 4.566 4.566 4.723 -0.157 25576 2197 1 5 . 1 1 3 3 ASP C C 3 176.445 176.445 175.422 1.023 25576 2198 1 5 . 1 1 3 3 ASP CA C 3 54.819 54.819 54.357 0.462 25576 2199 1 5 . 1 1 3 3 ASP CB C 3 40.939 40.939 41.591 -0.652 25576 2200 1 5 . 1 1 3 3 ASP H H 3 8.360 8.360 8.525 -0.165 25576 2201 1 5 . 1 1 4 4 GLN N N 4 119.955 119.955 119.133 0.822 25576 2202 1 5 . 1 1 4 4 GLN HA H 4 4.262 4.262 4.454 -0.192 25576 2203 1 5 . 1 1 4 4 GLN C C 4 176.138 176.138 176.218 -0.080 25576 2204 1 5 . 1 1 4 4 GLN CA C 4 55.933 55.933 54.812 1.121 25576 2205 1 5 . 1 1 4 4 GLN CB C 4 29.411 29.411 28.953 0.458 25576 2206 1 5 . 1 1 4 4 GLN H H 4 8.250 8.250 7.765 0.485 25576 2207 1 5 . 1 1 5 5 GLU N N 5 121.392 121.392 118.933 2.459 25576 2208 1 5 . 1 1 5 5 GLU HA H 5 4.203 4.203 4.135 0.068 25576 2209 1 5 . 1 1 5 5 GLU C C 5 176.137 176.137 175.835 0.302 25576 2210 1 5 . 1 1 5 5 GLU CA C 5 56.480 56.480 56.488 -0.008 25576 2211 1 5 . 1 1 5 5 GLU CB C 5 30.261 30.261 29.958 0.303 25576 2212 1 5 . 1 1 5 5 GLU H H 5 8.292 8.292 8.493 -0.201 25576 2213 1 5 . 1 1 6 6 ALA N N 6 125.339 125.339 120.835 4.504 25576 2214 1 5 . 1 1 6 6 ALA HA H 6 4.261 4.261 4.527 -0.266 25576 2215 1 5 . 1 1 6 6 ALA C C 6 177.348 177.348 175.930 1.418 25576 2216 1 5 . 1 1 6 6 ALA CA C 6 52.319 52.319 51.349 0.970 25576 2217 1 5 . 1 1 6 6 ALA CB C 6 19.120 19.120 20.818 -1.698 25576 2218 1 5 . 1 1 6 6 ALA H H 6 8.253 8.253 8.073 0.180 25576 2219 1 5 . 1 1 7 7 LYS N N 7 122.299 122.299 122.282 0.017 25576 2220 1 5 . 1 1 7 7 LYS HA H 7 4.573 4.573 4.734 -0.161 25576 2221 1 5 . 1 1 7 7 LYS CA C 7 54.062 54.062 53.657 0.405 25576 2222 1 5 . 1 1 7 7 LYS CB C 7 32.588 32.588 33.060 -0.472 25576 2223 1 5 . 1 1 7 7 LYS H H 7 8.302 8.302 8.276 0.026 25576 2224 1 5 . 1 1 8 8 PRO HA H 8 4.425 4.425 4.474 -0.049 25576 2225 1 5 . 1 1 8 8 PRO C C 8 177.020 177.020 176.587 0.433 25576 2226 1 5 . 1 1 8 8 PRO CA C 8 63.029 63.029 63.726 -0.697 25576 2227 1 5 . 1 1 8 8 PRO CB C 8 32.158 32.158 32.295 -0.137 25576 2228 1 5 . 1 1 9 9 SER N N 9 116.888 116.888 112.631 4.257 25576 2229 1 5 . 1 1 9 9 SER HA H 9 4.479 4.479 4.639 -0.160 25576 2230 1 5 . 1 1 9 9 SER C C 9 174.261 174.261 172.833 1.428 25576 2231 1 5 . 1 1 9 9 SER CA C 9 58.299 58.299 57.299 1.000 25576 2232 1 5 . 1 1 9 9 SER CB C 9 63.848 63.848 64.277 -0.429 25576 2233 1 5 . 1 1 9 9 SER H H 9 8.596 8.596 7.586 1.010 25576 2234 1 5 . 1 1 10 10 THR N N 10 115.838 115.838 118.648 -2.810 25576 2235 1 5 . 1 1 10 10 THR HA H 10 4.334 4.334 4.127 0.207 25576 2236 1 5 . 1 1 10 10 THR C C 10 176.158 176.158 174.103 2.055 25576 2237 1 5 . 1 1 10 10 THR CA C 10 61.966 61.966 63.365 -1.399 25576 2238 1 5 . 1 1 10 10 THR CB C 10 69.581 69.581 68.890 0.691 25576 2239 1 5 . 1 1 10 10 THR H H 10 8.247 8.247 8.282 -0.035 25576 2240 1 5 . 1 1 11 11 GLU N N 11 122.975 122.975 126.931 -3.956 25576 2241 1 5 . 1 1 11 11 GLU HA H 11 4.237 4.237 4.197 0.040 25576 2242 1 5 . 1 1 11 11 GLU C C 11 175.920 175.920 175.610 0.310 25576 2243 1 5 . 1 1 11 11 GLU CA C 11 56.779 56.779 56.747 0.032 25576 2244 1 5 . 1 1 11 11 GLU CB C 11 29.869 29.869 30.598 -0.729 25576 2245 1 5 . 1 1 11 11 GLU H H 11 8.355 8.355 8.410 -0.055 25576 2246 1 5 . 1 1 12 12 ASP N N 12 122.117 122.117 126.567 -4.450 25576 2247 1 5 . 1 1 12 12 ASP HA H 12 4.562 4.562 4.471 0.091 25576 2248 1 5 . 1 1 12 12 ASP C C 12 176.402 176.402 177.997 -1.595 25576 2249 1 5 . 1 1 12 12 ASP CA C 12 54.224 54.224 56.504 -2.280 25576 2250 1 5 . 1 1 12 12 ASP CB C 12 41.161 41.161 41.078 0.083 25576 2251 1 5 . 1 1 12 12 ASP H H 12 8.411 8.411 8.720 -0.309 25576 2252 1 5 . 1 1 13 13 LEU N N 13 123.695 123.695 117.775 5.920 25576 2253 1 5 . 1 1 13 13 LEU HA H 13 4.306 4.306 4.406 -0.100 25576 2254 1 5 . 1 1 13 13 LEU C C 13 178.231 178.231 178.004 0.227 25576 2255 1 5 . 1 1 13 13 LEU CA C 13 55.384 55.384 56.350 -0.966 25576 2256 1 5 . 1 1 13 13 LEU CB C 13 42.132 42.132 41.519 0.613 25576 2257 1 5 . 1 1 13 13 LEU H H 13 8.391 8.391 8.033 0.358 25576 2258 1 5 . 1 1 14 14 GLY N N 14 108.928 108.928 106.002 2.926 25576 2259 1 5 . 1 1 14 14 GLY C C 14 174.014 174.014 173.452 0.562 25576 2260 1 5 . 1 1 14 14 GLY CA C 14 45.600 45.600 44.387 1.213 25576 2261 1 5 . 1 1 14 14 GLY H H 14 8.456 8.456 7.944 0.512 25576 2262 1 5 . 1 1 15 15 ASP N N 15 120.427 120.427 120.170 0.257 25576 2263 1 5 . 1 1 15 15 ASP HA H 15 4.544 4.544 4.580 -0.036 25576 2264 1 5 . 1 1 15 15 ASP C C 15 176.810 176.810 176.201 0.609 25576 2265 1 5 . 1 1 15 15 ASP CA C 15 54.389 54.389 54.754 -0.365 25576 2266 1 5 . 1 1 15 15 ASP CB C 15 41.153 41.153 41.601 -0.448 25576 2267 1 5 . 1 1 15 15 ASP H H 15 8.207 8.207 7.558 0.649 25576 2268 1 5 . 1 1 16 16 LYS N N 16 121.257 121.257 123.120 -1.863 25576 2269 1 5 . 1 1 16 16 LYS HA H 16 4.269 4.269 4.822 -0.553 25576 2270 1 5 . 1 1 16 16 LYS C C 16 176.470 176.470 175.220 1.250 25576 2271 1 5 . 1 1 16 16 LYS CA C 16 56.579 56.579 55.542 1.037 25576 2272 1 5 . 1 1 16 16 LYS CB C 16 29.470 29.470 34.457 -4.987 25576 2273 1 5 . 1 1 16 16 LYS H H 16 8.302 8.302 8.490 -0.188 25576 2274 1 5 . 1 1 17 17 LYS N N 17 122.205 122.205 118.512 3.693 25576 2275 1 5 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.466 -0.199 25576 2276 1 5 . 1 1 17 17 LYS C C 17 176.837 176.837 175.076 1.761 25576 2277 1 5 . 1 1 17 17 LYS CA C 17 56.177 56.177 55.703 0.474 25576 2278 1 5 . 1 1 17 17 LYS CB C 17 32.684 32.684 33.577 -0.893 25576 2279 1 5 . 1 1 17 17 LYS H H 17 8.383 8.383 8.194 0.189 25576 2280 1 5 . 1 1 18 18 GLU N N 18 121.859 121.859 119.466 2.393 25576 2281 1 5 . 1 1 18 18 GLU HA H 18 4.252 4.252 4.734 -0.482 25576 2282 1 5 . 1 1 18 18 GLU C C 18 176.964 176.964 175.253 1.711 25576 2283 1 5 . 1 1 18 18 GLU CA C 18 57.094 57.094 55.386 1.708 25576 2284 1 5 . 1 1 18 18 GLU CB C 18 30.261 30.261 31.457 -1.196 25576 2285 1 5 . 1 1 18 18 GLU H H 18 8.497 8.497 9.001 -0.504 25576 2286 1 5 . 1 1 19 19 GLY N N 19 109.716 109.716 107.836 1.880 25576 2287 1 5 . 1 1 19 19 GLY C C 19 173.520 173.520 173.318 0.202 25576 2288 1 5 . 1 1 19 19 GLY CA C 19 45.386 45.386 44.883 0.503 25576 2289 1 5 . 1 1 19 19 GLY H H 19 8.447 8.447 8.452 -0.005 25576 2290 1 5 . 1 1 20 20 GLU N N 20 119.640 119.640 119.086 0.554 25576 2291 1 5 . 1 1 20 20 GLU HA H 20 4.255 4.255 3.988 0.267 25576 2292 1 5 . 1 1 20 20 GLU C C 20 175.453 175.453 174.611 0.842 25576 2293 1 5 . 1 1 20 20 GLU CA C 20 56.726 56.726 57.032 -0.306 25576 2294 1 5 . 1 1 20 20 GLU CB C 20 30.806 30.806 28.827 1.979 25576 2295 1 5 . 1 1 20 20 GLU H H 20 8.227 8.227 8.570 -0.343 25576 2296 1 5 . 1 1 21 21 TYR N N 21 119.301 119.301 113.988 5.313 25576 2297 1 5 . 1 1 21 21 TYR HA H 21 5.083 5.083 4.763 0.320 25576 2298 1 5 . 1 1 21 21 TYR C C 21 175.805 175.805 174.107 1.698 25576 2299 1 5 . 1 1 21 21 TYR CA C 21 57.427 57.427 56.313 1.113 25576 2300 1 5 . 1 1 21 21 TYR CB C 21 41.620 41.620 40.584 1.036 25576 2301 1 5 . 1 1 21 21 TYR H H 21 8.367 8.367 7.357 1.010 25576 2302 1 5 . 1 1 22 22 ILE N N 22 116.642 116.642 116.841 -0.199 25576 2303 1 5 . 1 1 22 22 ILE HA H 22 4.787 4.787 4.626 0.161 25576 2304 1 5 . 1 1 22 22 ILE C C 22 173.467 173.467 174.421 -0.954 25576 2305 1 5 . 1 1 22 22 ILE CA C 22 59.685 59.685 59.321 0.364 25576 2306 1 5 . 1 1 22 22 ILE CB C 22 42.383 42.383 41.745 0.638 25576 2307 1 5 . 1 1 22 22 ILE H H 22 9.151 9.151 9.177 -0.026 25576 2308 1 5 . 1 1 23 23 LYS N N 23 124.306 124.306 119.519 4.787 25576 2309 1 5 . 1 1 23 23 LYS HA H 23 5.289 5.289 5.062 0.227 25576 2310 1 5 . 1 1 23 23 LYS C C 23 175.553 175.553 175.585 -0.032 25576 2311 1 5 . 1 1 23 23 LYS CA C 23 55.629 55.629 55.333 0.296 25576 2312 1 5 . 1 1 23 23 LYS CB C 23 33.744 33.744 34.634 -0.890 25576 2313 1 5 . 1 1 23 23 LYS H H 23 8.623 8.623 8.235 0.388 25576 2314 1 5 . 1 1 24 24 LEU N N 24 124.177 124.177 121.898 2.279 25576 2315 1 5 . 1 1 24 24 LEU HA H 24 4.974 4.974 5.172 -0.198 25576 2316 1 5 . 1 1 24 24 LEU C C 24 175.910 175.910 174.494 1.416 25576 2317 1 5 . 1 1 24 24 LEU CA C 24 52.835 52.835 53.858 -1.023 25576 2318 1 5 . 1 1 24 24 LEU CB C 24 46.661 46.661 47.132 -0.471 25576 2319 1 5 . 1 1 24 24 LEU H H 24 8.940 8.940 8.950 -0.010 25576 2320 1 5 . 1 1 25 25 LYS N N 25 120.635 120.635 120.119 0.516 25576 2321 1 5 . 1 1 25 25 LYS HA H 25 4.714 4.714 4.727 -0.013 25576 2322 1 5 . 1 1 25 25 LYS C C 25 174.125 174.125 174.027 0.098 25576 2323 1 5 . 1 1 25 25 LYS CA C 25 55.122 55.122 53.749 1.373 25576 2324 1 5 . 1 1 25 25 LYS CB C 25 34.919 34.919 36.591 -1.672 25576 2325 1 5 . 1 1 25 25 LYS H H 25 8.621 8.621 8.414 0.207 25576 2326 1 5 . 1 1 26 26 VAL N N 26 124.130 124.130 124.707 -0.577 25576 2327 1 5 . 1 1 26 26 VAL HA H 26 5.043 5.043 4.710 0.333 25576 2328 1 5 . 1 1 26 26 VAL C C 26 176.195 176.195 174.143 2.052 25576 2329 1 5 . 1 1 26 26 VAL CA C 26 61.193 61.193 60.209 0.984 25576 2330 1 5 . 1 1 26 26 VAL CB C 26 32.270 32.270 35.663 -3.393 25576 2331 1 5 . 1 1 26 26 VAL H H 26 9.113 9.113 8.624 0.489 25576 2332 1 5 . 1 1 27 27 ILE N N 27 128.245 128.245 126.170 2.075 25576 2333 1 5 . 1 1 27 27 ILE HA H 27 5.012 5.012 4.542 0.470 25576 2334 1 5 . 1 1 27 27 ILE C C 27 175.976 175.976 175.626 0.350 25576 2335 1 5 . 1 1 27 27 ILE CA C 27 59.910 59.910 58.133 1.777 25576 2336 1 5 . 1 1 27 27 ILE CB C 27 39.851 39.851 36.697 3.155 25576 2337 1 5 . 1 1 27 27 ILE H H 27 9.063 9.063 8.317 0.746 25576 2338 1 5 . 1 1 28 28 GLY N N 28 113.332 113.332 113.147 0.185 25576 2339 1 5 . 1 1 28 28 GLY C C 28 175.505 175.505 175.617 -0.112 25576 2340 1 5 . 1 1 28 28 GLY CA C 28 43.958 43.958 44.542 -0.584 25576 2341 1 5 . 1 1 28 28 GLY H H 28 8.485 8.485 8.444 0.041 25576 2342 1 5 . 1 1 29 29 GLN N N 29 120.493 120.493 118.922 1.571 25576 2343 1 5 . 1 1 29 29 GLN HA H 29 4.113 4.113 4.007 0.106 25576 2344 1 5 . 1 1 29 29 GLN C C 29 176.003 176.003 176.572 -0.569 25576 2345 1 5 . 1 1 29 29 GLN CA C 29 57.808 57.808 57.836 -0.028 25576 2346 1 5 . 1 1 29 29 GLN CB C 29 28.735 28.735 28.289 0.446 25576 2347 1 5 . 1 1 29 29 GLN H H 29 8.768 8.768 8.824 -0.056 25576 2348 1 5 . 1 1 30 30 ASP N N 30 118.342 118.342 118.214 0.128 25576 2349 1 5 . 1 1 30 30 ASP HA H 30 4.537 4.537 4.722 -0.185 25576 2350 1 5 . 1 1 30 30 ASP C C 30 176.461 176.461 175.549 0.912 25576 2351 1 5 . 1 1 30 30 ASP CA C 30 53.271 53.271 53.191 0.080 25576 2352 1 5 . 1 1 30 30 ASP CB C 30 39.867 39.867 41.205 -1.338 25576 2353 1 5 . 1 1 30 30 ASP H H 30 8.335 8.335 7.710 0.625 25576 2354 1 5 . 1 1 31 31 SER N N 31 111.069 111.069 113.463 -2.394 25576 2355 1 5 . 1 1 31 31 SER HA H 31 4.044 4.044 4.207 -0.163 25576 2356 1 5 . 1 1 31 31 SER C C 31 173.554 173.554 173.487 0.067 25576 2357 1 5 . 1 1 31 31 SER CA C 31 60.529 60.529 59.407 1.122 25576 2358 1 5 . 1 1 31 31 SER CB C 31 62.268 62.268 61.598 0.670 25576 2359 1 5 . 1 1 31 31 SER H H 31 7.997 7.997 8.180 -0.183 25576 2360 1 5 . 1 1 32 32 SER N N 32 117.489 117.489 116.830 0.659 25576 2361 1 5 . 1 1 32 32 SER HA H 32 4.380 4.380 4.385 -0.005 25576 2362 1 5 . 1 1 32 32 SER C C 32 173.550 173.550 174.378 -0.828 25576 2363 1 5 . 1 1 32 32 SER CA C 32 58.590 58.590 58.924 -0.334 25576 2364 1 5 . 1 1 32 32 SER CB C 32 64.008 64.008 62.662 1.346 25576 2365 1 5 . 1 1 32 32 SER H H 32 8.081 8.081 8.157 -0.076 25576 2366 1 5 . 1 1 33 33 GLU N N 33 121.738 121.738 127.628 -5.890 25576 2367 1 5 . 1 1 33 33 GLU HA H 33 5.131 5.131 5.076 0.055 25576 2368 1 5 . 1 1 33 33 GLU C C 33 175.317 175.317 175.992 -0.675 25576 2369 1 5 . 1 1 33 33 GLU CA C 33 55.212 55.212 56.237 -1.025 25576 2370 1 5 . 1 1 33 33 GLU CB C 33 32.596 32.596 29.986 2.610 25576 2371 1 5 . 1 1 33 33 GLU H H 33 8.616 8.616 8.229 0.387 25576 2372 1 5 . 1 1 34 34 ILE N N 34 124.389 124.389 125.606 -1.217 25576 2373 1 5 . 1 1 34 34 ILE HA H 34 4.359 4.359 4.464 -0.105 25576 2374 1 5 . 1 1 34 34 ILE C C 34 174.612 174.612 175.059 -0.447 25576 2375 1 5 . 1 1 34 34 ILE CA C 34 60.266 60.266 59.584 0.682 25576 2376 1 5 . 1 1 34 34 ILE CB C 34 40.906 40.906 39.375 1.531 25576 2377 1 5 . 1 1 34 34 ILE H H 34 8.670 8.670 8.423 0.247 25576 2378 1 5 . 1 1 35 35 HIS N N 35 125.683 125.683 125.810 -0.127 25576 2379 1 5 . 1 1 35 35 HIS HA H 35 5.597 5.597 4.767 0.830 25576 2380 1 5 . 1 1 35 35 HIS C C 35 174.902 174.902 174.720 0.182 25576 2381 1 5 . 1 1 35 35 HIS CA C 35 54.765 54.765 54.237 0.528 25576 2382 1 5 . 1 1 35 35 HIS CB C 35 32.411 32.411 31.833 0.578 25576 2383 1 5 . 1 1 35 35 HIS H H 35 8.699 8.699 8.723 -0.024 25576 2384 1 5 . 1 1 36 36 PHE N N 36 119.920 119.920 121.702 -1.782 25576 2385 1 5 . 1 1 36 36 PHE HA H 36 4.949 4.949 5.076 -0.127 25576 2386 1 5 . 1 1 36 36 PHE C C 36 174.000 174.000 173.702 0.298 25576 2387 1 5 . 1 1 36 36 PHE CA C 36 57.003 57.003 55.787 1.216 25576 2388 1 5 . 1 1 36 36 PHE CB C 36 44.431 44.431 41.403 3.028 25576 2389 1 5 . 1 1 36 36 PHE H H 36 9.103 9.103 7.908 1.195 25576 2390 1 5 . 1 1 37 37 LYS N N 37 123.747 123.747 122.311 1.436 25576 2391 1 5 . 1 1 37 37 LYS HA H 37 4.294 4.294 5.208 -0.914 25576 2392 1 5 . 1 1 37 37 LYS C C 37 176.145 176.145 175.292 0.853 25576 2393 1 5 . 1 1 37 37 LYS CA C 37 55.448 55.448 55.497 -0.049 25576 2394 1 5 . 1 1 37 37 LYS CB C 37 33.467 33.467 33.939 -0.472 25576 2395 1 5 . 1 1 37 37 LYS H H 37 8.787 8.787 8.544 0.243 25576 2396 1 5 . 1 1 38 38 VAL N N 38 119.736 119.736 118.902 0.834 25576 2397 1 5 . 1 1 38 38 VAL HA H 38 4.957 4.957 4.588 0.369 25576 2398 1 5 . 1 1 38 38 VAL C C 38 174.245 174.245 173.999 0.246 25576 2399 1 5 . 1 1 38 38 VAL CA C 38 58.935 58.935 58.651 0.284 25576 2400 1 5 . 1 1 38 38 VAL CB C 38 35.429 35.429 35.619 -0.190 25576 2401 1 5 . 1 1 38 38 VAL H H 38 9.138 9.138 8.935 0.203 25576 2402 1 5 . 1 1 39 39 LYS N N 39 122.359 122.359 120.412 1.947 25576 2403 1 5 . 1 1 39 39 LYS HA H 39 3.837 3.837 4.495 -0.658 25576 2404 1 5 . 1 1 39 39 LYS C C 39 179.383 179.383 177.744 1.639 25576 2405 1 5 . 1 1 39 39 LYS CA C 39 56.814 56.814 56.095 0.719 25576 2406 1 5 . 1 1 39 39 LYS CB C 39 30.576 30.576 34.176 -3.600 25576 2407 1 5 . 1 1 39 39 LYS H H 39 8.611 8.611 8.438 0.173 25576 2408 1 5 . 1 1 40 40 MET N N 40 119.929 119.929 119.265 0.664 25576 2409 1 5 . 1 1 40 40 MET HA H 40 4.103 4.103 4.432 -0.329 25576 2410 1 5 . 1 1 40 40 MET C C 40 176.546 176.546 177.187 -0.641 25576 2411 1 5 . 1 1 40 40 MET CA C 40 57.320 57.320 58.337 -1.018 25576 2412 1 5 . 1 1 40 40 MET CB C 40 30.903 30.903 32.935 -2.033 25576 2413 1 5 . 1 1 40 40 MET H H 40 8.562 8.562 9.086 -0.524 25576 2414 1 5 . 1 1 41 41 THR N N 41 100.263 100.263 109.879 -9.616 25576 2415 1 5 . 1 1 41 41 THR HA H 41 4.349 4.349 4.358 -0.009 25576 2416 1 5 . 1 1 41 41 THR C C 41 174.506 174.506 174.064 0.442 25576 2417 1 5 . 1 1 41 41 THR CA C 41 60.147 60.147 61.524 -1.377 25576 2418 1 5 . 1 1 41 41 THR CB C 41 68.836 68.836 68.459 0.377 25576 2419 1 5 . 1 1 41 41 THR H H 41 6.974 6.974 7.972 -0.998 25576 2420 1 5 . 1 1 42 42 THR N N 42 120.616 120.616 115.431 5.185 25576 2421 1 5 . 1 1 42 42 THR HA H 42 4.187 4.187 4.351 -0.164 25576 2422 1 5 . 1 1 42 42 THR C C 42 174.052 174.052 172.836 1.216 25576 2423 1 5 . 1 1 42 42 THR CA C 42 63.153 63.153 60.212 2.941 25576 2424 1 5 . 1 1 42 42 THR CB C 42 69.645 69.645 70.033 -0.388 25576 2425 1 5 . 1 1 42 42 THR H H 42 7.192 7.192 7.454 -0.262 25576 2426 1 5 . 1 1 43 43 HIS N N 43 126.236 126.236 119.842 6.394 25576 2427 1 5 . 1 1 43 43 HIS HA H 43 4.411 4.411 4.612 -0.201 25576 2428 1 5 . 1 1 43 43 HIS C C 43 178.431 178.431 176.544 1.887 25576 2429 1 5 . 1 1 43 43 HIS CA C 43 57.366 57.366 55.962 1.404 25576 2430 1 5 . 1 1 43 43 HIS CB C 43 30.155 30.155 31.066 -0.910 25576 2431 1 5 . 1 1 43 43 HIS H H 43 8.807 8.807 8.524 0.283 25576 2432 1 5 . 1 1 44 44 LEU N N 44 124.757 124.757 124.585 0.172 25576 2433 1 5 . 1 1 44 44 LEU HA H 44 3.983 3.983 4.159 -0.176 25576 2434 1 5 . 1 1 44 44 LEU C C 44 177.051 177.051 177.965 -0.914 25576 2435 1 5 . 1 1 44 44 LEU CA C 44 58.790 58.790 55.690 3.100 25576 2436 1 5 . 1 1 44 44 LEU CB C 44 41.240 41.240 41.181 0.059 25576 2437 1 5 . 1 1 44 44 LEU H H 44 9.349 9.349 8.951 0.398 25576 2438 1 5 . 1 1 45 45 LYS N N 45 121.424 121.424 118.991 2.433 25576 2439 1 5 . 1 1 45 45 LYS HA H 45 3.584 3.584 3.865 -0.281 25576 2440 1 5 . 1 1 45 45 LYS C C 45 176.867 176.867 178.152 -1.285 25576 2441 1 5 . 1 1 45 45 LYS CA C 45 60.662 60.662 59.118 1.544 25576 2442 1 5 . 1 1 45 45 LYS CB C 45 33.389 33.389 31.153 2.236 25576 2443 1 5 . 1 1 45 45 LYS H H 45 8.543 8.543 7.698 0.845 25576 2444 1 5 . 1 1 46 46 LYS N N 46 114.033 114.033 118.480 -4.447 25576 2445 1 5 . 1 1 46 46 LYS HA H 46 4.087 4.087 4.005 0.082 25576 2446 1 5 . 1 1 46 46 LYS C C 46 178.977 178.977 178.393 0.584 25576 2447 1 5 . 1 1 46 46 LYS CA C 46 58.615 58.615 58.901 -0.286 25576 2448 1 5 . 1 1 46 46 LYS CB C 46 31.643 31.643 31.821 -0.178 25576 2449 1 5 . 1 1 46 46 LYS H H 46 7.517 7.517 7.488 0.029 25576 2450 1 5 . 1 1 47 47 LEU N N 47 121.871 121.871 121.612 0.259 25576 2451 1 5 . 1 1 47 47 LEU HA H 47 3.660 3.660 3.807 -0.147 25576 2452 1 5 . 1 1 47 47 LEU C C 47 177.575 177.575 178.101 -0.526 25576 2453 1 5 . 1 1 47 47 LEU CA C 47 58.514 58.514 57.514 1.000 25576 2454 1 5 . 1 1 47 47 LEU CB C 47 41.890 41.890 41.703 0.187 25576 2455 1 5 . 1 1 47 47 LEU H H 47 6.739 6.739 7.277 -0.538 25576 2456 1 5 . 1 1 48 48 LYS N N 48 118.246 118.246 119.120 -0.874 25576 2457 1 5 . 1 1 48 48 LYS HA H 48 3.081 3.081 4.093 -1.012 25576 2458 1 5 . 1 1 48 48 LYS C C 48 178.700 178.700 179.051 -0.351 25576 2459 1 5 . 1 1 48 48 LYS CA C 48 59.712 59.712 60.300 -0.587 25576 2460 1 5 . 1 1 48 48 LYS CB C 48 32.411 32.411 31.957 0.454 25576 2461 1 5 . 1 1 48 48 LYS H H 48 7.556 7.556 8.221 -0.665 25576 2462 1 5 . 1 1 49 49 GLU N N 49 118.092 118.092 117.668 0.424 25576 2463 1 5 . 1 1 49 49 GLU HA H 49 3.973 3.973 3.939 0.034 25576 2464 1 5 . 1 1 49 49 GLU C C 49 179.453 179.453 178.509 0.944 25576 2465 1 5 . 1 1 49 49 GLU CA C 49 59.627 59.627 58.932 0.695 25576 2466 1 5 . 1 1 49 49 GLU CB C 49 30.120 30.120 28.850 1.270 25576 2467 1 5 . 1 1 49 49 GLU H H 49 8.500 8.500 8.038 0.462 25576 2468 1 5 . 1 1 50 50 SER N N 50 115.646 115.646 116.809 -1.163 25576 2469 1 5 . 1 1 50 50 SER HA H 50 4.260 4.260 4.175 0.085 25576 2470 1 5 . 1 1 50 50 SER C C 50 177.171 177.171 176.772 0.399 25576 2471 1 5 . 1 1 50 50 SER CA C 50 61.947 61.947 61.510 0.438 25576 2472 1 5 . 1 1 50 50 SER CB C 50 63.258 63.258 63.303 -0.045 25576 2473 1 5 . 1 1 50 50 SER H H 50 7.966 7.966 7.674 0.292 25576 2474 1 5 . 1 1 51 51 TYR N N 51 122.610 122.610 119.978 2.632 25576 2475 1 5 . 1 1 51 51 TYR HA H 51 4.026 4.026 4.495 -0.469 25576 2476 1 5 . 1 1 51 51 TYR C C 51 177.374 177.374 177.516 -0.142 25576 2477 1 5 . 1 1 51 51 TYR CA C 51 63.608 63.608 60.207 3.401 25576 2478 1 5 . 1 1 51 51 TYR CB C 51 38.618 38.618 37.652 0.966 25576 2479 1 5 . 1 1 51 51 TYR H H 51 8.833 8.833 8.162 0.671 25576 2480 1 5 . 1 1 52 52 CYS N N 52 117.395 117.395 119.670 -2.275 25576 2481 1 5 . 1 1 52 52 CYS HA H 52 3.915 3.915 3.739 0.176 25576 2482 1 5 . 1 1 52 52 CYS C C 52 177.182 177.182 176.536 0.646 25576 2483 1 5 . 1 1 52 52 CYS CA C 52 65.108 65.108 64.514 0.594 25576 2484 1 5 . 1 1 52 52 CYS CB C 52 26.151 26.151 27.113 -0.962 25576 2485 1 5 . 1 1 52 52 CYS H H 52 8.676 8.676 7.525 1.151 25576 2486 1 5 . 1 1 53 53 GLN N N 53 119.196 119.196 118.862 0.334 25576 2487 1 5 . 1 1 53 53 GLN HA H 53 4.109 4.109 3.997 0.112 25576 2488 1 5 . 1 1 53 53 GLN C C 53 179.105 179.105 178.175 0.930 25576 2489 1 5 . 1 1 53 53 GLN CA C 53 58.973 58.973 58.277 0.696 25576 2490 1 5 . 1 1 53 53 GLN CB C 53 28.211 28.211 28.002 0.209 25576 2491 1 5 . 1 1 53 53 GLN H H 53 8.322 8.322 7.933 0.389 25576 2492 1 5 . 1 1 54 54 ARG N N 54 120.139 120.139 119.610 0.529 25576 2493 1 5 . 1 1 54 54 ARG HA H 54 4.018 4.018 4.084 -0.066 25576 2494 1 5 . 1 1 54 54 ARG C C 54 178.300 178.300 178.900 -0.600 25576 2495 1 5 . 1 1 54 54 ARG CA C 54 58.552 58.552 58.313 0.239 25576 2496 1 5 . 1 1 54 54 ARG CB C 54 29.669 29.669 29.885 -0.216 25576 2497 1 5 . 1 1 54 54 ARG H H 54 8.011 8.011 7.742 0.269 25576 2498 1 5 . 1 1 55 55 GLN N N 55 114.160 114.160 116.597 -2.437 25576 2499 1 5 . 1 1 55 55 GLN HA H 55 4.251 4.251 4.266 -0.015 25576 2500 1 5 . 1 1 55 55 GLN C C 55 176.410 176.410 176.945 -0.535 25576 2501 1 5 . 1 1 55 55 GLN CA C 55 55.119 55.119 57.134 -2.015 25576 2502 1 5 . 1 1 55 55 GLN CB C 55 29.424 29.424 29.308 0.116 25576 2503 1 5 . 1 1 55 55 GLN H H 55 7.806 7.806 7.807 -0.001 25576 2504 1 5 . 1 1 56 56 GLY N N 56 109.749 109.749 107.313 2.436 25576 2505 1 5 . 1 1 56 56 GLY C C 56 174.908 174.908 174.097 0.811 25576 2506 1 5 . 1 1 56 56 GLY CA C 56 46.658 46.658 45.336 1.322 25576 2507 1 5 . 1 1 56 56 GLY H H 56 7.932 7.932 7.745 0.187 25576 2508 1 5 . 1 1 57 57 VAL N N 57 111.990 111.990 116.027 -4.037 25576 2509 1 5 . 1 1 57 57 VAL HA H 57 4.941 4.941 4.742 0.199 25576 2510 1 5 . 1 1 57 57 VAL CA C 57 57.534 57.534 57.696 -0.162 25576 2511 1 5 . 1 1 57 57 VAL CB C 57 32.697 32.697 33.629 -0.932 25576 2512 1 5 . 1 1 57 57 VAL H H 57 7.651 7.651 7.593 0.058 25576 2513 1 5 . 1 1 58 58 PRO HA H 58 4.528 4.528 4.651 -0.123 25576 2514 1 5 . 1 1 58 58 PRO C C 58 179.169 179.169 177.535 1.634 25576 2515 1 5 . 1 1 58 58 PRO CA C 58 62.211 62.211 62.205 0.006 25576 2516 1 5 . 1 1 58 58 PRO CB C 58 32.543 32.543 32.653 -0.110 25576 2517 1 5 . 1 1 59 59 MET N N 59 124.522 124.522 119.346 5.176 25576 2518 1 5 . 1 1 59 59 MET HA H 59 4.703 4.703 4.184 0.519 25576 2519 1 5 . 1 1 59 59 MET C C 59 177.459 177.459 175.850 1.609 25576 2520 1 5 . 1 1 59 59 MET CA C 59 58.247 58.247 57.876 0.371 25576 2521 1 5 . 1 1 59 59 MET CB C 59 32.795 32.795 32.398 0.397 25576 2522 1 5 . 1 1 59 59 MET H H 59 9.002 9.002 8.548 0.454 25576 2523 1 5 . 1 1 60 60 ASN N N 60 113.185 113.185 113.194 -0.009 25576 2524 1 5 . 1 1 60 60 ASN HA H 60 4.673 4.673 4.622 0.051 25576 2525 1 5 . 1 1 60 60 ASN C C 60 175.674 175.674 176.166 -0.492 25576 2526 1 5 . 1 1 60 60 ASN CA C 60 53.935 53.935 53.969 -0.035 25576 2527 1 5 . 1 1 60 60 ASN CB C 60 37.217 37.217 37.606 -0.389 25576 2528 1 5 . 1 1 60 60 ASN H H 60 8.424 8.424 8.114 0.310 25576 2529 1 5 . 1 1 61 61 SER N N 61 113.092 113.092 114.630 -1.538 25576 2530 1 5 . 1 1 61 61 SER HA H 61 4.500 4.500 4.521 -0.021 25576 2531 1 5 . 1 1 61 61 SER C C 61 173.455 173.455 173.109 0.346 25576 2532 1 5 . 1 1 61 61 SER CA C 61 59.609 59.609 60.056 -0.447 25576 2533 1 5 . 1 1 61 61 SER CB C 61 64.812 64.812 64.164 0.648 25576 2534 1 5 . 1 1 61 61 SER H H 61 7.931 7.931 7.860 0.071 25576 2535 1 5 . 1 1 62 62 LEU N N 62 120.961 120.961 115.786 5.175 25576 2536 1 5 . 1 1 62 62 LEU HA H 62 5.109 5.109 5.014 0.095 25576 2537 1 5 . 1 1 62 62 LEU C C 62 175.588 175.588 175.833 -0.245 25576 2538 1 5 . 1 1 62 62 LEU CA C 62 53.575 53.575 52.916 0.659 25576 2539 1 5 . 1 1 62 62 LEU CB C 62 46.262 46.262 45.112 1.150 25576 2540 1 5 . 1 1 62 62 LEU H H 62 7.265 7.265 7.090 0.175 25576 2541 1 5 . 1 1 63 63 ARG N N 63 120.142 120.142 119.665 0.477 25576 2542 1 5 . 1 1 63 63 ARG HA H 63 4.668 4.668 4.387 0.281 25576 2543 1 5 . 1 1 63 63 ARG C C 63 172.784 172.784 174.944 -2.160 25576 2544 1 5 . 1 1 63 63 ARG CA C 63 54.488 54.488 54.657 -0.169 25576 2545 1 5 . 1 1 63 63 ARG CB C 63 33.111 33.111 32.523 0.588 25576 2546 1 5 . 1 1 63 63 ARG H H 63 8.993 8.993 8.877 0.116 25576 2547 1 5 . 1 1 64 64 PHE N N 64 122.537 122.537 122.842 -0.305 25576 2548 1 5 . 1 1 64 64 PHE HA H 64 4.959 4.959 5.476 -0.517 25576 2549 1 5 . 1 1 64 64 PHE C C 64 174.150 174.150 174.358 -0.208 25576 2550 1 5 . 1 1 64 64 PHE CA C 64 56.347 56.347 54.808 1.539 25576 2551 1 5 . 1 1 64 64 PHE CB C 64 40.762 40.762 39.400 1.362 25576 2552 1 5 . 1 1 64 64 PHE H H 64 8.923 8.923 8.119 0.804 25576 2553 1 5 . 1 1 65 65 LEU N N 65 124.212 124.212 119.931 4.281 25576 2554 1 5 . 1 1 65 65 LEU HA H 65 5.290 5.290 5.659 -0.369 25576 2555 1 5 . 1 1 65 65 LEU C C 65 175.903 175.903 174.369 1.534 25576 2556 1 5 . 1 1 65 65 LEU CA C 65 53.729 53.729 53.551 0.178 25576 2557 1 5 . 1 1 65 65 LEU CB C 65 46.385 46.385 46.219 0.166 25576 2558 1 5 . 1 1 65 65 LEU H H 65 9.738 9.738 9.221 0.517 25576 2559 1 5 . 1 1 66 66 PHE N N 66 119.384 119.384 120.512 -1.128 25576 2560 1 5 . 1 1 66 66 PHE HA H 66 5.202 5.202 5.004 0.198 25576 2561 1 5 . 1 1 66 66 PHE C C 66 175.017 175.017 174.819 0.198 25576 2562 1 5 . 1 1 66 66 PHE CA C 66 56.291 56.291 57.743 -1.452 25576 2563 1 5 . 1 1 66 66 PHE CB C 66 41.700 41.700 42.712 -1.012 25576 2564 1 5 . 1 1 66 66 PHE H H 66 8.968 8.968 9.130 -0.162 25576 2565 1 5 . 1 1 67 67 GLU N N 67 129.196 129.196 124.712 4.484 25576 2566 1 5 . 1 1 67 67 GLU HA H 67 3.540 3.540 3.593 -0.053 25576 2567 1 5 . 1 1 67 67 GLU C C 67 176.778 176.778 176.099 0.679 25576 2568 1 5 . 1 1 67 67 GLU CA C 67 56.769 56.769 56.746 0.023 25576 2569 1 5 . 1 1 67 67 GLU CB C 67 26.897 26.897 27.318 -0.421 25576 2570 1 5 . 1 1 67 67 GLU H H 67 9.381 9.381 8.723 0.658 25576 2571 1 5 . 1 1 68 68 GLY N N 68 103.263 103.263 105.057 -1.794 25576 2572 1 5 . 1 1 68 68 GLY C C 68 173.651 173.651 173.190 0.461 25576 2573 1 5 . 1 1 68 68 GLY CA C 68 45.476 45.476 44.871 0.605 25576 2574 1 5 . 1 1 68 68 GLY H H 68 8.858 8.858 8.251 0.607 25576 2575 1 5 . 1 1 69 69 GLN N N 69 120.732 120.732 118.707 2.025 25576 2576 1 5 . 1 1 69 69 GLN HA H 69 4.589 4.589 4.715 -0.126 25576 2577 1 5 . 1 1 69 69 GLN C C 69 175.204 175.204 174.455 0.749 25576 2578 1 5 . 1 1 69 69 GLN CA C 69 53.776 53.776 54.196 -0.420 25576 2579 1 5 . 1 1 69 69 GLN CB C 69 30.660 30.660 31.919 -1.259 25576 2580 1 5 . 1 1 69 69 GLN H H 69 7.996 7.996 8.092 -0.096 25576 2581 1 5 . 1 1 70 70 ARG N N 70 125.102 125.102 124.220 0.882 25576 2582 1 5 . 1 1 70 70 ARG HA H 70 4.395 4.395 4.696 -0.301 25576 2583 1 5 . 1 1 70 70 ARG C C 70 177.004 177.004 176.123 0.881 25576 2584 1 5 . 1 1 70 70 ARG CA C 70 57.305 57.305 56.124 1.181 25576 2585 1 5 . 1 1 70 70 ARG CB C 70 30.511 30.511 31.021 -0.510 25576 2586 1 5 . 1 1 70 70 ARG H H 70 8.823 8.823 8.756 0.067 25576 2587 1 5 . 1 1 71 71 ILE N N 71 126.949 126.949 122.712 4.237 25576 2588 1 5 . 1 1 71 71 ILE HA H 71 4.477 4.477 4.468 0.009 25576 2589 1 5 . 1 1 71 71 ILE C C 71 176.145 176.145 175.065 1.080 25576 2590 1 5 . 1 1 71 71 ILE CA C 71 61.337 61.337 59.061 2.276 25576 2591 1 5 . 1 1 71 71 ILE CB C 71 39.067 39.067 36.738 2.329 25576 2592 1 5 . 1 1 71 71 ILE H H 71 9.020 9.020 8.767 0.253 25576 2593 1 5 . 1 1 72 72 ALA N N 72 139.307 139.307 129.557 9.750 25576 2594 1 5 . 1 1 72 72 ALA HA H 72 4.334 4.334 4.321 0.013 25576 2595 1 5 . 1 1 72 72 ALA C C 72 177.973 177.973 178.230 -0.257 25576 2596 1 5 . 1 1 72 72 ALA CA C 72 50.785 50.785 50.231 0.554 25576 2597 1 5 . 1 1 72 72 ALA CB C 72 18.407 18.407 20.432 -2.025 25576 2598 1 5 . 1 1 72 72 ALA H H 72 10.910 10.910 7.960 2.950 25576 2599 1 5 . 1 1 73 73 ASP N N 73 120.493 120.493 119.478 1.015 25576 2600 1 5 . 1 1 73 73 ASP HA H 73 3.823 3.823 4.236 -0.413 25576 2601 1 5 . 1 1 73 73 ASP C C 73 176.104 176.104 176.578 -0.474 25576 2602 1 5 . 1 1 73 73 ASP CA C 73 57.113 57.113 56.987 0.126 25576 2603 1 5 . 1 1 73 73 ASP CB C 73 40.032 40.032 40.734 -0.702 25576 2604 1 5 . 1 1 73 73 ASP H H 73 8.770 8.770 8.615 0.155 25576 2605 1 5 . 1 1 74 74 ASN N N 74 109.526 109.526 114.585 -5.059 25576 2606 1 5 . 1 1 74 74 ASN HA H 74 4.245 4.245 4.134 0.111 25576 2607 1 5 . 1 1 74 74 ASN C C 74 176.050 176.050 174.836 1.214 25576 2608 1 5 . 1 1 74 74 ASN CA C 74 52.073 52.073 52.694 -0.621 25576 2609 1 5 . 1 1 74 74 ASN CB C 74 37.343 37.343 38.479 -1.136 25576 2610 1 5 . 1 1 74 74 ASN H H 74 7.738 7.738 8.113 -0.375 25576 2611 1 5 . 1 1 75 75 HIS N N 75 119.821 119.821 119.594 0.227 25576 2612 1 5 . 1 1 75 75 HIS HA H 75 4.908 4.908 4.621 0.287 25576 2613 1 5 . 1 1 75 75 HIS C C 75 175.680 175.680 174.178 1.502 25576 2614 1 5 . 1 1 75 75 HIS CA C 75 56.606 56.606 56.272 0.334 25576 2615 1 5 . 1 1 75 75 HIS CB C 75 33.549 33.549 31.272 2.277 25576 2616 1 5 . 1 1 75 75 HIS H H 75 7.149 7.149 7.457 -0.308 25576 2617 1 5 . 1 1 76 76 THR N N 76 108.304 108.304 113.767 -5.463 25576 2618 1 5 . 1 1 76 76 THR HA H 76 5.197 5.197 5.105 0.092 25576 2619 1 5 . 1 1 76 76 THR CA C 76 57.594 57.594 58.250 -0.656 25576 2620 1 5 . 1 1 76 76 THR CB C 76 70.033 70.033 70.860 -0.827 25576 2621 1 5 . 1 1 76 76 THR H H 76 7.303 7.303 8.290 -0.987 25576 2622 1 5 . 1 1 77 77 PRO HA H 77 4.241 4.241 4.157 0.084 25576 2623 1 5 . 1 1 77 77 PRO C C 77 178.445 178.445 177.848 0.597 25576 2624 1 5 . 1 1 77 77 PRO CA C 77 65.724 65.724 65.185 0.539 25576 2625 1 5 . 1 1 77 77 PRO CB C 77 32.479 32.479 31.920 0.559 25576 2626 1 5 . 1 1 78 78 LYS N N 78 115.329 115.329 116.043 -0.714 25576 2627 1 5 . 1 1 78 78 LYS HA H 78 3.956 3.956 4.079 -0.123 25576 2628 1 5 . 1 1 78 78 LYS C C 78 179.328 179.328 178.826 0.502 25576 2629 1 5 . 1 1 78 78 LYS CA C 78 59.012 59.012 59.043 -0.031 25576 2630 1 5 . 1 1 78 78 LYS CB C 78 32.845 32.845 31.625 1.220 25576 2631 1 5 . 1 1 78 78 LYS H H 78 8.073 8.073 7.581 0.492 25576 2632 1 5 . 1 1 79 79 GLU N N 79 120.840 120.840 119.720 1.120 25576 2633 1 5 . 1 1 79 79 GLU HA H 79 3.957 3.957 4.125 -0.168 25576 2634 1 5 . 1 1 79 79 GLU C C 79 178.566 178.566 178.437 0.129 25576 2635 1 5 . 1 1 79 79 GLU CA C 79 58.790 58.790 58.471 0.319 25576 2636 1 5 . 1 1 79 79 GLU CB C 79 30.290 30.290 29.471 0.819 25576 2637 1 5 . 1 1 79 79 GLU H H 79 7.978 7.978 7.493 0.485 25576 2638 1 5 . 1 1 80 80 LEU N N 80 115.072 115.072 117.773 -2.701 25576 2639 1 5 . 1 1 80 80 LEU HA H 80 4.222 4.222 4.323 -0.101 25576 2640 1 5 . 1 1 80 80 LEU C C 80 176.602 176.602 177.411 -0.809 25576 2641 1 5 . 1 1 80 80 LEU CA C 80 54.613 54.613 55.236 -0.623 25576 2642 1 5 . 1 1 80 80 LEU CB C 80 42.453 42.453 42.128 0.325 25576 2643 1 5 . 1 1 80 80 LEU H H 80 7.486 7.486 8.094 -0.608 25576 2644 1 5 . 1 1 81 81 GLY N N 81 108.019 108.019 106.588 1.431 25576 2645 1 5 . 1 1 81 81 GLY C C 81 175.390 175.390 174.083 1.307 25576 2646 1 5 . 1 1 81 81 GLY CA C 81 46.622 46.622 45.120 1.502 25576 2647 1 5 . 1 1 81 81 GLY H H 81 7.644 7.644 7.371 0.273 25576 2648 1 5 . 1 1 82 82 MET N N 82 117.606 117.606 118.428 -0.822 25576 2649 1 5 . 1 1 82 82 MET HA H 82 4.185 4.185 5.217 -1.032 25576 2650 1 5 . 1 1 82 82 MET C C 82 174.482 174.482 175.180 -0.698 25576 2651 1 5 . 1 1 82 82 MET CA C 82 57.019 57.019 54.817 2.202 25576 2652 1 5 . 1 1 82 82 MET CB C 82 34.089 34.089 35.822 -1.733 25576 2653 1 5 . 1 1 82 82 MET H H 82 7.628 7.628 8.096 -0.468 25576 2654 1 5 . 1 1 83 83 GLU N N 83 120.980 120.980 117.808 3.172 25576 2655 1 5 . 1 1 83 83 GLU HA H 83 4.457 4.457 4.764 -0.307 25576 2656 1 5 . 1 1 83 83 GLU C C 83 174.297 174.297 175.283 -0.986 25576 2657 1 5 . 1 1 83 83 GLU CA C 83 53.875 53.875 54.299 -0.424 25576 2658 1 5 . 1 1 83 83 GLU CB C 83 33.937 33.937 32.384 1.553 25576 2659 1 5 . 1 1 83 83 GLU H H 83 9.314 9.314 8.136 1.178 25576 2660 1 5 . 1 1 84 84 GLU N N 84 119.063 119.063 120.663 -1.600 25576 2661 1 5 . 1 1 84 84 GLU HA H 84 4.199 4.199 4.160 0.039 25576 2662 1 5 . 1 1 84 84 GLU C C 84 177.527 177.527 176.690 0.837 25576 2663 1 5 . 1 1 84 84 GLU CA C 84 58.549 58.549 56.730 1.819 25576 2664 1 5 . 1 1 84 84 GLU CB C 84 29.993 29.993 29.479 0.514 25576 2665 1 5 . 1 1 84 84 GLU H H 84 8.341 8.341 8.457 -0.116 25576 2666 1 5 . 1 1 85 85 GLU N N 85 118.840 118.840 119.640 -0.800 25576 2667 1 5 . 1 1 85 85 GLU HA H 85 3.645 3.645 3.792 -0.147 25576 2668 1 5 . 1 1 85 85 GLU C C 85 175.047 175.047 174.983 0.064 25576 2669 1 5 . 1 1 85 85 GLU CA C 85 58.846 58.846 58.085 0.761 25576 2670 1 5 . 1 1 85 85 GLU CB C 85 26.691 26.691 29.109 -2.418 25576 2671 1 5 . 1 1 85 85 GLU H H 85 9.357 9.357 9.116 0.241 25576 2672 1 5 . 1 1 86 86 ASP N N 86 120.217 120.217 119.093 1.124 25576 2673 1 5 . 1 1 86 86 ASP HA H 86 4.880 4.880 4.632 0.248 25576 2674 1 5 . 1 1 86 86 ASP C C 86 174.417 174.417 175.332 -0.915 25576 2675 1 5 . 1 1 86 86 ASP CA C 86 55.822 55.822 55.473 0.349 25576 2676 1 5 . 1 1 86 86 ASP CB C 86 41.926 41.926 42.314 -0.388 25576 2677 1 5 . 1 1 86 86 ASP H H 86 8.155 8.155 7.566 0.589 25576 2678 1 5 . 1 1 87 87 VAL N N 87 116.641 116.641 120.688 -4.047 25576 2679 1 5 . 1 1 87 87 VAL HA H 87 4.924 4.924 5.037 -0.113 25576 2680 1 5 . 1 1 87 87 VAL C C 87 176.064 176.064 174.491 1.573 25576 2681 1 5 . 1 1 87 87 VAL CA C 87 61.311 61.311 59.998 1.313 25576 2682 1 5 . 1 1 87 87 VAL CB C 87 35.067 35.067 34.654 0.413 25576 2683 1 5 . 1 1 87 87 VAL H H 87 8.191 8.191 8.177 0.014 25576 2684 1 5 . 1 1 88 88 ILE N N 88 127.353 127.353 126.429 0.924 25576 2685 1 5 . 1 1 88 88 ILE HA H 88 4.845 4.845 4.692 0.153 25576 2686 1 5 . 1 1 88 88 ILE C C 88 174.967 174.967 173.837 1.130 25576 2687 1 5 . 1 1 88 88 ILE CA C 88 59.381 59.381 59.836 -0.455 25576 2688 1 5 . 1 1 88 88 ILE CB C 88 40.984 40.984 40.816 0.168 25576 2689 1 5 . 1 1 88 88 ILE H H 88 9.165 9.165 8.971 0.194 25576 2690 1 5 . 1 1 89 89 GLU N N 89 125.851 125.851 123.633 2.218 25576 2691 1 5 . 1 1 89 89 GLU HA H 89 4.820 4.820 4.706 0.114 25576 2692 1 5 . 1 1 89 89 GLU C C 89 175.262 175.262 174.853 0.409 25576 2693 1 5 . 1 1 89 89 GLU CA C 89 55.158 55.158 54.605 0.553 25576 2694 1 5 . 1 1 89 89 GLU CB C 89 33.359 33.359 32.339 1.020 25576 2695 1 5 . 1 1 89 89 GLU H H 89 8.858 8.858 8.657 0.201 25576 2696 1 5 . 1 1 90 90 VAL N N 90 119.735 119.735 125.429 -5.694 25576 2697 1 5 . 1 1 90 90 VAL HA H 90 4.817 4.817 5.346 -0.529 25576 2698 1 5 . 1 1 90 90 VAL C C 90 174.870 174.870 174.413 0.457 25576 2699 1 5 . 1 1 90 90 VAL CA C 90 59.412 59.412 60.533 -1.121 25576 2700 1 5 . 1 1 90 90 VAL CB C 90 34.031 34.031 34.774 -0.743 25576 2701 1 5 . 1 1 90 90 VAL H H 90 7.770 7.770 8.080 -0.310 25576 2702 1 5 . 1 1 91 91 TYR N N 91 124.243 124.243 124.117 0.126 25576 2703 1 5 . 1 1 91 91 TYR HA H 91 4.621 4.621 4.770 -0.149 25576 2704 1 5 . 1 1 91 91 TYR C C 91 174.588 174.588 174.418 0.170 25576 2705 1 5 . 1 1 91 91 TYR CA C 91 56.018 56.018 56.969 -0.951 25576 2706 1 5 . 1 1 91 91 TYR CB C 91 42.641 42.641 41.990 0.651 25576 2707 1 5 . 1 1 91 91 TYR H H 91 8.540 8.540 9.224 -0.684 25576 2708 1 5 . 1 1 92 92 GLN N N 92 120.784 120.784 119.380 1.404 25576 2709 1 5 . 1 1 92 92 GLN HA H 92 4.529 4.529 4.774 -0.245 25576 2710 1 5 . 1 1 92 92 GLN C C 92 176.679 176.679 176.026 0.653 25576 2711 1 5 . 1 1 92 92 GLN CA C 92 56.135 56.135 55.423 0.712 25576 2712 1 5 . 1 1 92 92 GLN CB C 92 29.342 29.342 30.702 -1.360 25576 2713 1 5 . 1 1 92 92 GLN H H 92 8.726 8.726 8.828 -0.102 25576 2714 1 5 . 1 1 93 93 GLU N N 93 125.131 125.131 122.907 2.224 25576 2715 1 5 . 1 1 93 93 GLU HA H 93 4.364 4.364 4.593 -0.229 25576 2716 1 5 . 1 1 93 93 GLU C C 93 176.244 176.244 176.546 -0.302 25576 2717 1 5 . 1 1 93 93 GLU CA C 93 56.111 56.111 55.787 0.324 25576 2718 1 5 . 1 1 93 93 GLU CB C 93 30.517 30.517 30.538 -0.021 25576 2719 1 5 . 1 1 93 93 GLU H H 93 8.419 8.419 9.105 -0.686 25576 2720 1 5 . 1 1 94 94 GLN N N 94 122.912 122.912 120.059 2.853 25576 2721 1 5 . 1 1 94 94 GLN HA H 94 4.439 4.439 4.224 0.215 25576 2722 1 5 . 1 1 94 94 GLN C C 94 176.135 176.135 176.542 -0.407 25576 2723 1 5 . 1 1 94 94 GLN CA C 94 55.585 55.585 56.659 -1.074 25576 2724 1 5 . 1 1 94 94 GLN CB C 94 29.513 29.513 29.244 0.269 25576 2725 1 5 . 1 1 94 94 GLN H H 94 8.780 8.780 8.105 0.675 25576 2726 1 5 . 1 1 95 95 THR N N 95 116.094 116.094 111.879 4.215 25576 2727 1 5 . 1 1 95 95 THR HA H 95 4.294 4.294 4.484 -0.190 25576 2728 1 5 . 1 1 95 95 THR C C 95 175.136 175.136 173.397 1.739 25576 2729 1 5 . 1 1 95 95 THR CA C 95 61.971 61.971 61.557 0.414 25576 2730 1 5 . 1 1 95 95 THR CB C 95 69.829 69.829 70.125 -0.296 25576 2731 1 5 . 1 1 95 95 THR H H 95 8.392 8.392 8.272 0.120 25576 2732 1 5 . 1 1 96 96 GLY N N 96 111.858 111.858 110.630 1.228 25576 2733 1 5 . 1 1 96 96 GLY C C 96 173.704 173.704 173.738 -0.034 25576 2734 1 5 . 1 1 96 96 GLY CA C 96 45.424 45.424 45.327 0.097 25576 2735 1 5 . 1 1 96 96 GLY H H 96 8.508 8.508 8.501 0.007 25576 2736 1 6 . 1 1 2 2 SER N N 2 116.367 116.367 119.054 -2.687 25576 2737 1 6 . 1 1 2 2 SER HA H 2 4.458 4.458 4.668 -0.210 25576 2738 1 6 . 1 1 2 2 SER C C 2 174.579 174.579 174.273 0.306 25576 2739 1 6 . 1 1 2 2 SER CA C 2 58.539 58.539 58.826 -0.287 25576 2740 1 6 . 1 1 2 2 SER CB C 2 63.940 63.940 64.353 -0.413 25576 2741 1 6 . 1 1 2 2 SER H H 2 8.127 8.127 8.683 -0.556 25576 2742 1 6 . 1 1 3 3 ASP N N 3 122.355 122.355 120.291 2.064 25576 2743 1 6 . 1 1 3 3 ASP HA H 3 4.566 4.566 4.709 -0.143 25576 2744 1 6 . 1 1 3 3 ASP C C 3 176.445 176.445 175.738 0.707 25576 2745 1 6 . 1 1 3 3 ASP CA C 3 54.819 54.819 54.542 0.277 25576 2746 1 6 . 1 1 3 3 ASP CB C 3 40.939 40.939 41.330 -0.391 25576 2747 1 6 . 1 1 3 3 ASP H H 3 8.360 8.360 8.192 0.168 25576 2748 1 6 . 1 1 4 4 GLN N N 4 119.955 119.955 121.125 -1.170 25576 2749 1 6 . 1 1 4 4 GLN HA H 4 4.262 4.262 4.262 -0.000 25576 2750 1 6 . 1 1 4 4 GLN C C 4 176.138 176.138 175.165 0.973 25576 2751 1 6 . 1 1 4 4 GLN CA C 4 55.933 55.933 56.195 -0.262 25576 2752 1 6 . 1 1 4 4 GLN CB C 4 29.411 29.411 29.257 0.154 25576 2753 1 6 . 1 1 4 4 GLN H H 4 8.250 8.250 7.924 0.326 25576 2754 1 6 . 1 1 5 5 GLU N N 5 121.392 121.392 122.508 -1.116 25576 2755 1 6 . 1 1 5 5 GLU HA H 5 4.203 4.203 4.579 -0.376 25576 2756 1 6 . 1 1 5 5 GLU C C 5 176.137 176.137 174.977 1.160 25576 2757 1 6 . 1 1 5 5 GLU CA C 5 56.480 56.480 55.149 1.331 25576 2758 1 6 . 1 1 5 5 GLU CB C 5 30.261 30.261 31.389 -1.128 25576 2759 1 6 . 1 1 5 5 GLU H H 5 8.292 8.292 8.487 -0.195 25576 2760 1 6 . 1 1 6 6 ALA N N 6 125.339 125.339 124.546 0.793 25576 2761 1 6 . 1 1 6 6 ALA HA H 6 4.261 4.261 4.546 -0.285 25576 2762 1 6 . 1 1 6 6 ALA C C 6 177.348 177.348 176.410 0.938 25576 2763 1 6 . 1 1 6 6 ALA CA C 6 52.319 52.319 52.222 0.097 25576 2764 1 6 . 1 1 6 6 ALA CB C 6 19.120 19.120 19.796 -0.676 25576 2765 1 6 . 1 1 6 6 ALA H H 6 8.253 8.253 8.285 -0.032 25576 2766 1 6 . 1 1 7 7 LYS N N 7 122.299 122.299 122.362 -0.063 25576 2767 1 6 . 1 1 7 7 LYS HA H 7 4.573 4.573 4.548 0.025 25576 2768 1 6 . 1 1 7 7 LYS CA C 7 54.062 54.062 54.403 -0.341 25576 2769 1 6 . 1 1 7 7 LYS CB C 7 32.588 32.588 32.291 0.297 25576 2770 1 6 . 1 1 7 7 LYS H H 7 8.302 8.302 8.215 0.087 25576 2771 1 6 . 1 1 8 8 PRO HA H 8 4.425 4.425 4.517 -0.092 25576 2772 1 6 . 1 1 8 8 PRO C C 8 177.020 177.020 175.926 1.094 25576 2773 1 6 . 1 1 8 8 PRO CA C 8 63.029 63.029 63.578 -0.549 25576 2774 1 6 . 1 1 8 8 PRO CB C 8 32.158 32.158 31.926 0.232 25576 2775 1 6 . 1 1 9 9 SER N N 9 116.888 116.888 117.929 -1.041 25576 2776 1 6 . 1 1 9 9 SER HA H 9 4.479 4.479 4.584 -0.105 25576 2777 1 6 . 1 1 9 9 SER C C 9 174.261 174.261 173.038 1.223 25576 2778 1 6 . 1 1 9 9 SER CA C 9 58.299 58.299 57.824 0.475 25576 2779 1 6 . 1 1 9 9 SER CB C 9 63.848 63.848 65.177 -1.329 25576 2780 1 6 . 1 1 9 9 SER H H 9 8.596 8.596 8.015 0.581 25576 2781 1 6 . 1 1 10 10 THR N N 10 115.838 115.838 115.403 0.435 25576 2782 1 6 . 1 1 10 10 THR HA H 10 4.334 4.334 4.016 0.318 25576 2783 1 6 . 1 1 10 10 THR C C 10 176.158 176.158 173.556 2.602 25576 2784 1 6 . 1 1 10 10 THR CA C 10 61.966 61.966 62.907 -0.941 25576 2785 1 6 . 1 1 10 10 THR CB C 10 69.581 69.581 68.637 0.944 25576 2786 1 6 . 1 1 10 10 THR H H 10 8.247 8.247 8.338 -0.091 25576 2787 1 6 . 1 1 11 11 GLU N N 11 122.975 122.975 125.038 -2.063 25576 2788 1 6 . 1 1 11 11 GLU HA H 11 4.237 4.237 4.450 -0.213 25576 2789 1 6 . 1 1 11 11 GLU C C 11 175.920 175.920 175.407 0.513 25576 2790 1 6 . 1 1 11 11 GLU CA C 11 56.779 56.779 55.917 0.862 25576 2791 1 6 . 1 1 11 11 GLU CB C 11 29.869 29.869 30.718 -0.849 25576 2792 1 6 . 1 1 11 11 GLU H H 11 8.355 8.355 8.366 -0.011 25576 2793 1 6 . 1 1 12 12 ASP N N 12 122.117 122.117 126.855 -4.738 25576 2794 1 6 . 1 1 12 12 ASP HA H 12 4.562 4.562 4.871 -0.309 25576 2795 1 6 . 1 1 12 12 ASP C C 12 176.402 176.402 175.091 1.311 25576 2796 1 6 . 1 1 12 12 ASP CA C 12 54.224 54.224 53.927 0.297 25576 2797 1 6 . 1 1 12 12 ASP CB C 12 41.161 41.161 41.218 -0.057 25576 2798 1 6 . 1 1 12 12 ASP H H 12 8.411 8.411 8.602 -0.191 25576 2799 1 6 . 1 1 13 13 LEU N N 13 123.695 123.695 122.123 1.572 25576 2800 1 6 . 1 1 13 13 LEU HA H 13 4.306 4.306 4.713 -0.407 25576 2801 1 6 . 1 1 13 13 LEU C C 13 178.231 178.231 176.095 2.136 25576 2802 1 6 . 1 1 13 13 LEU CA C 13 55.384 55.384 54.371 1.013 25576 2803 1 6 . 1 1 13 13 LEU CB C 13 42.132 42.132 43.937 -1.805 25576 2804 1 6 . 1 1 13 13 LEU H H 13 8.391 8.391 8.197 0.194 25576 2805 1 6 . 1 1 14 14 GLY N N 14 108.928 108.928 108.969 -0.041 25576 2806 1 6 . 1 1 14 14 GLY C C 14 174.014 174.014 173.798 0.216 25576 2807 1 6 . 1 1 14 14 GLY CA C 14 45.600 45.600 44.488 1.112 25576 2808 1 6 . 1 1 14 14 GLY H H 14 8.456 8.456 8.518 -0.062 25576 2809 1 6 . 1 1 15 15 ASP N N 15 120.427 120.427 120.300 0.127 25576 2810 1 6 . 1 1 15 15 ASP HA H 15 4.544 4.544 4.574 -0.030 25576 2811 1 6 . 1 1 15 15 ASP C C 15 176.810 176.810 175.994 0.816 25576 2812 1 6 . 1 1 15 15 ASP CA C 15 54.389 54.389 54.537 -0.148 25576 2813 1 6 . 1 1 15 15 ASP CB C 15 41.153 41.153 41.024 0.129 25576 2814 1 6 . 1 1 15 15 ASP H H 15 8.207 8.207 8.034 0.173 25576 2815 1 6 . 1 1 16 16 LYS N N 16 121.257 121.257 122.070 -0.813 25576 2816 1 6 . 1 1 16 16 LYS HA H 16 4.269 4.269 4.477 -0.208 25576 2817 1 6 . 1 1 16 16 LYS C C 16 176.470 176.470 175.171 1.299 25576 2818 1 6 . 1 1 16 16 LYS CA C 16 56.579 56.579 55.214 1.365 25576 2819 1 6 . 1 1 16 16 LYS CB C 16 29.470 29.470 33.539 -4.069 25576 2820 1 6 . 1 1 16 16 LYS H H 16 8.302 8.302 8.145 0.157 25576 2821 1 6 . 1 1 17 17 LYS N N 17 122.205 122.205 120.077 2.128 25576 2822 1 6 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.171 0.096 25576 2823 1 6 . 1 1 17 17 LYS C C 17 176.837 176.837 176.593 0.244 25576 2824 1 6 . 1 1 17 17 LYS CA C 17 56.177 56.177 56.740 -0.563 25576 2825 1 6 . 1 1 17 17 LYS CB C 17 32.684 32.684 32.743 -0.059 25576 2826 1 6 . 1 1 17 17 LYS H H 17 8.383 8.383 8.292 0.091 25576 2827 1 6 . 1 1 18 18 GLU N N 18 121.859 121.859 120.219 1.640 25576 2828 1 6 . 1 1 18 18 GLU HA H 18 4.252 4.252 4.054 0.198 25576 2829 1 6 . 1 1 18 18 GLU C C 18 176.964 176.964 175.731 1.233 25576 2830 1 6 . 1 1 18 18 GLU CA C 18 57.094 57.094 56.114 0.980 25576 2831 1 6 . 1 1 18 18 GLU CB C 18 30.261 30.261 28.361 1.900 25576 2832 1 6 . 1 1 18 18 GLU H H 18 8.497 8.497 8.422 0.075 25576 2833 1 6 . 1 1 19 19 GLY N N 19 109.716 109.716 110.705 -0.989 25576 2834 1 6 . 1 1 19 19 GLY C C 19 173.520 173.520 173.496 0.024 25576 2835 1 6 . 1 1 19 19 GLY CA C 19 45.386 45.386 45.376 0.010 25576 2836 1 6 . 1 1 19 19 GLY H H 19 8.447 8.447 7.972 0.475 25576 2837 1 6 . 1 1 20 20 GLU N N 20 119.640 119.640 119.695 -0.055 25576 2838 1 6 . 1 1 20 20 GLU HA H 20 4.255 4.255 3.805 0.450 25576 2839 1 6 . 1 1 20 20 GLU C C 20 175.453 175.453 175.046 0.407 25576 2840 1 6 . 1 1 20 20 GLU CA C 20 56.726 56.726 56.972 -0.246 25576 2841 1 6 . 1 1 20 20 GLU CB C 20 30.806 30.806 28.523 2.283 25576 2842 1 6 . 1 1 20 20 GLU H H 20 8.227 8.227 8.862 -0.635 25576 2843 1 6 . 1 1 21 21 TYR N N 21 119.301 119.301 114.640 4.661 25576 2844 1 6 . 1 1 21 21 TYR HA H 21 5.083 5.083 5.216 -0.133 25576 2845 1 6 . 1 1 21 21 TYR C C 21 175.805 175.805 174.748 1.057 25576 2846 1 6 . 1 1 21 21 TYR CA C 21 57.427 57.427 56.513 0.914 25576 2847 1 6 . 1 1 21 21 TYR CB C 21 41.620 41.620 40.214 1.406 25576 2848 1 6 . 1 1 21 21 TYR H H 21 8.367 8.367 7.335 1.032 25576 2849 1 6 . 1 1 22 22 ILE N N 22 116.642 116.642 115.247 1.395 25576 2850 1 6 . 1 1 22 22 ILE HA H 22 4.787 4.787 4.588 0.199 25576 2851 1 6 . 1 1 22 22 ILE C C 22 173.467 173.467 174.205 -0.738 25576 2852 1 6 . 1 1 22 22 ILE CA C 22 59.685 59.685 59.430 0.255 25576 2853 1 6 . 1 1 22 22 ILE CB C 22 42.383 42.383 41.775 0.608 25576 2854 1 6 . 1 1 22 22 ILE H H 22 9.151 9.151 9.144 0.007 25576 2855 1 6 . 1 1 23 23 LYS N N 23 124.306 124.306 119.804 4.502 25576 2856 1 6 . 1 1 23 23 LYS HA H 23 5.289 5.289 5.155 0.134 25576 2857 1 6 . 1 1 23 23 LYS C C 23 175.553 175.553 175.590 -0.037 25576 2858 1 6 . 1 1 23 23 LYS CA C 23 55.629 55.629 55.444 0.185 25576 2859 1 6 . 1 1 23 23 LYS CB C 23 33.744 33.744 34.641 -0.897 25576 2860 1 6 . 1 1 23 23 LYS H H 23 8.623 8.623 8.262 0.361 25576 2861 1 6 . 1 1 24 24 LEU N N 24 124.177 124.177 122.086 2.091 25576 2862 1 6 . 1 1 24 24 LEU HA H 24 4.974 4.974 5.240 -0.266 25576 2863 1 6 . 1 1 24 24 LEU C C 24 175.910 175.910 174.542 1.368 25576 2864 1 6 . 1 1 24 24 LEU CA C 24 52.835 52.835 53.888 -1.053 25576 2865 1 6 . 1 1 24 24 LEU CB C 24 46.661 46.661 47.188 -0.527 25576 2866 1 6 . 1 1 24 24 LEU H H 24 8.940 8.940 8.903 0.037 25576 2867 1 6 . 1 1 25 25 LYS N N 25 120.635 120.635 120.170 0.465 25576 2868 1 6 . 1 1 25 25 LYS HA H 25 4.714 4.714 4.711 0.003 25576 2869 1 6 . 1 1 25 25 LYS C C 25 174.125 174.125 173.975 0.150 25576 2870 1 6 . 1 1 25 25 LYS CA C 25 55.122 55.122 53.917 1.205 25576 2871 1 6 . 1 1 25 25 LYS CB C 25 34.919 34.919 36.598 -1.679 25576 2872 1 6 . 1 1 25 25 LYS H H 25 8.621 8.621 8.529 0.092 25576 2873 1 6 . 1 1 26 26 VAL N N 26 124.130 124.130 124.139 -0.009 25576 2874 1 6 . 1 1 26 26 VAL HA H 26 5.043 5.043 4.802 0.241 25576 2875 1 6 . 1 1 26 26 VAL C C 26 176.195 176.195 174.485 1.710 25576 2876 1 6 . 1 1 26 26 VAL CA C 26 61.193 61.193 60.137 1.056 25576 2877 1 6 . 1 1 26 26 VAL CB C 26 32.270 32.270 35.357 -3.087 25576 2878 1 6 . 1 1 26 26 VAL H H 26 9.113 9.113 8.691 0.422 25576 2879 1 6 . 1 1 27 27 ILE N N 27 128.245 128.245 127.004 1.241 25576 2880 1 6 . 1 1 27 27 ILE HA H 27 5.012 5.012 4.523 0.489 25576 2881 1 6 . 1 1 27 27 ILE C C 27 175.976 175.976 175.352 0.624 25576 2882 1 6 . 1 1 27 27 ILE CA C 27 59.910 59.910 58.691 1.219 25576 2883 1 6 . 1 1 27 27 ILE CB C 27 39.851 39.851 37.292 2.559 25576 2884 1 6 . 1 1 27 27 ILE H H 27 9.063 9.063 8.402 0.661 25576 2885 1 6 . 1 1 28 28 GLY N N 28 113.332 113.332 113.255 0.077 25576 2886 1 6 . 1 1 28 28 GLY C C 28 175.505 175.505 175.550 -0.045 25576 2887 1 6 . 1 1 28 28 GLY CA C 28 43.958 43.958 44.591 -0.633 25576 2888 1 6 . 1 1 28 28 GLY H H 28 8.485 8.485 8.546 -0.062 25576 2889 1 6 . 1 1 29 29 GLN N N 29 120.493 120.493 119.200 1.293 25576 2890 1 6 . 1 1 29 29 GLN HA H 29 4.113 4.113 3.981 0.132 25576 2891 1 6 . 1 1 29 29 GLN C C 29 176.003 176.003 177.220 -1.217 25576 2892 1 6 . 1 1 29 29 GLN CA C 29 57.808 57.808 58.004 -0.196 25576 2893 1 6 . 1 1 29 29 GLN CB C 29 28.735 28.735 28.423 0.312 25576 2894 1 6 . 1 1 29 29 GLN H H 29 8.768 8.768 8.872 -0.104 25576 2895 1 6 . 1 1 30 30 ASP N N 30 118.342 118.342 117.113 1.229 25576 2896 1 6 . 1 1 30 30 ASP HA H 30 4.537 4.537 4.626 -0.089 25576 2897 1 6 . 1 1 30 30 ASP C C 30 176.461 176.461 175.900 0.561 25576 2898 1 6 . 1 1 30 30 ASP CA C 30 53.271 53.271 53.493 -0.222 25576 2899 1 6 . 1 1 30 30 ASP CB C 30 39.867 39.867 40.589 -0.722 25576 2900 1 6 . 1 1 30 30 ASP H H 30 8.335 8.335 8.287 0.048 25576 2901 1 6 . 1 1 31 31 SER N N 31 111.069 111.069 112.692 -1.623 25576 2902 1 6 . 1 1 31 31 SER HA H 31 4.044 4.044 4.157 -0.113 25576 2903 1 6 . 1 1 31 31 SER C C 31 173.554 173.554 173.309 0.245 25576 2904 1 6 . 1 1 31 31 SER CA C 31 60.529 60.529 59.178 1.351 25576 2905 1 6 . 1 1 31 31 SER CB C 31 62.268 62.268 62.083 0.186 25576 2906 1 6 . 1 1 31 31 SER H H 31 7.997 7.997 7.872 0.125 25576 2907 1 6 . 1 1 32 32 SER N N 32 117.489 117.489 116.780 0.709 25576 2908 1 6 . 1 1 32 32 SER HA H 32 4.380 4.380 4.411 -0.031 25576 2909 1 6 . 1 1 32 32 SER C C 32 173.550 173.550 174.473 -0.923 25576 2910 1 6 . 1 1 32 32 SER CA C 32 58.590 58.590 58.448 0.142 25576 2911 1 6 . 1 1 32 32 SER CB C 32 64.008 64.008 63.254 0.755 25576 2912 1 6 . 1 1 32 32 SER H H 32 8.081 8.081 8.062 0.019 25576 2913 1 6 . 1 1 33 33 GLU N N 33 121.738 121.738 129.983 -8.245 25576 2914 1 6 . 1 1 33 33 GLU HA H 33 5.131 5.131 5.235 -0.104 25576 2915 1 6 . 1 1 33 33 GLU C C 33 175.317 175.317 176.176 -0.859 25576 2916 1 6 . 1 1 33 33 GLU CA C 33 55.212 55.212 55.717 -0.505 25576 2917 1 6 . 1 1 33 33 GLU CB C 33 32.596 32.596 29.710 2.886 25576 2918 1 6 . 1 1 33 33 GLU H H 33 8.616 8.616 8.204 0.412 25576 2919 1 6 . 1 1 34 34 ILE N N 34 124.389 124.389 124.718 -0.329 25576 2920 1 6 . 1 1 34 34 ILE HA H 34 4.359 4.359 4.472 -0.113 25576 2921 1 6 . 1 1 34 34 ILE C C 34 174.612 174.612 175.094 -0.482 25576 2922 1 6 . 1 1 34 34 ILE CA C 34 60.266 60.266 59.566 0.699 25576 2923 1 6 . 1 1 34 34 ILE CB C 34 40.906 40.906 39.848 1.058 25576 2924 1 6 . 1 1 34 34 ILE H H 34 8.670 8.670 8.707 -0.037 25576 2925 1 6 . 1 1 35 35 HIS N N 35 125.683 125.683 124.682 1.001 25576 2926 1 6 . 1 1 35 35 HIS HA H 35 5.597 5.597 4.873 0.724 25576 2927 1 6 . 1 1 35 35 HIS C C 35 174.902 174.902 174.489 0.413 25576 2928 1 6 . 1 1 35 35 HIS CA C 35 54.765 54.765 54.094 0.671 25576 2929 1 6 . 1 1 35 35 HIS CB C 35 32.411 32.411 32.751 -0.340 25576 2930 1 6 . 1 1 35 35 HIS H H 35 8.699 8.699 8.576 0.123 25576 2931 1 6 . 1 1 36 36 PHE N N 36 119.920 119.920 120.878 -0.958 25576 2932 1 6 . 1 1 36 36 PHE HA H 36 4.949 4.949 4.952 -0.003 25576 2933 1 6 . 1 1 36 36 PHE C C 36 174.000 174.000 173.662 0.338 25576 2934 1 6 . 1 1 36 36 PHE CA C 36 57.003 57.003 56.229 0.774 25576 2935 1 6 . 1 1 36 36 PHE CB C 36 44.431 44.431 40.892 3.539 25576 2936 1 6 . 1 1 36 36 PHE H H 36 9.103 9.103 8.226 0.877 25576 2937 1 6 . 1 1 37 37 LYS N N 37 123.747 123.747 124.021 -0.274 25576 2938 1 6 . 1 1 37 37 LYS HA H 37 4.294 4.294 5.082 -0.788 25576 2939 1 6 . 1 1 37 37 LYS C C 37 176.145 176.145 175.562 0.583 25576 2940 1 6 . 1 1 37 37 LYS CA C 37 55.448 55.448 55.060 0.388 25576 2941 1 6 . 1 1 37 37 LYS CB C 37 33.467 33.467 32.874 0.593 25576 2942 1 6 . 1 1 37 37 LYS H H 37 8.787 8.787 8.513 0.274 25576 2943 1 6 . 1 1 38 38 VAL N N 38 119.736 119.736 119.526 0.210 25576 2944 1 6 . 1 1 38 38 VAL HA H 38 4.957 4.957 4.546 0.411 25576 2945 1 6 . 1 1 38 38 VAL C C 38 174.245 174.245 174.209 0.036 25576 2946 1 6 . 1 1 38 38 VAL CA C 38 58.935 58.935 59.105 -0.170 25576 2947 1 6 . 1 1 38 38 VAL CB C 38 35.429 35.429 35.885 -0.456 25576 2948 1 6 . 1 1 38 38 VAL H H 38 9.138 9.138 8.896 0.242 25576 2949 1 6 . 1 1 39 39 LYS N N 39 122.359 122.359 120.587 1.772 25576 2950 1 6 . 1 1 39 39 LYS HA H 39 3.837 3.837 4.491 -0.654 25576 2951 1 6 . 1 1 39 39 LYS C C 39 179.383 179.383 178.115 1.268 25576 2952 1 6 . 1 1 39 39 LYS CA C 39 56.814 56.814 55.917 0.897 25576 2953 1 6 . 1 1 39 39 LYS CB C 39 30.576 30.576 33.563 -2.987 25576 2954 1 6 . 1 1 39 39 LYS H H 39 8.611 8.611 8.620 -0.009 25576 2955 1 6 . 1 1 40 40 MET N N 40 119.929 119.929 120.291 -0.362 25576 2956 1 6 . 1 1 40 40 MET HA H 40 4.103 4.103 4.328 -0.225 25576 2957 1 6 . 1 1 40 40 MET C C 40 176.546 176.546 177.340 -0.794 25576 2958 1 6 . 1 1 40 40 MET CA C 40 57.320 57.320 58.782 -1.462 25576 2959 1 6 . 1 1 40 40 MET CB C 40 30.903 30.903 32.891 -1.988 25576 2960 1 6 . 1 1 40 40 MET H H 40 8.562 8.562 9.160 -0.598 25576 2961 1 6 . 1 1 41 41 THR N N 41 100.263 100.263 109.733 -9.470 25576 2962 1 6 . 1 1 41 41 THR HA H 41 4.349 4.349 4.320 0.029 25576 2963 1 6 . 1 1 41 41 THR C C 41 174.506 174.506 174.451 0.055 25576 2964 1 6 . 1 1 41 41 THR CA C 41 60.147 60.147 60.829 -0.682 25576 2965 1 6 . 1 1 41 41 THR CB C 41 68.836 68.836 68.626 0.210 25576 2966 1 6 . 1 1 41 41 THR H H 41 6.974 6.974 8.059 -1.085 25576 2967 1 6 . 1 1 42 42 THR N N 42 120.616 120.616 117.098 3.518 25576 2968 1 6 . 1 1 42 42 THR HA H 42 4.187 4.187 4.343 -0.156 25576 2969 1 6 . 1 1 42 42 THR C C 42 174.052 174.052 173.517 0.535 25576 2970 1 6 . 1 1 42 42 THR CA C 42 63.153 63.153 61.744 1.409 25576 2971 1 6 . 1 1 42 42 THR CB C 42 69.645 69.645 70.993 -1.348 25576 2972 1 6 . 1 1 42 42 THR H H 42 7.192 7.192 7.140 0.052 25576 2973 1 6 . 1 1 43 43 HIS N N 43 126.236 126.236 120.497 5.739 25576 2974 1 6 . 1 1 43 43 HIS HA H 43 4.411 4.411 4.627 -0.216 25576 2975 1 6 . 1 1 43 43 HIS C C 43 178.431 178.431 176.406 2.025 25576 2976 1 6 . 1 1 43 43 HIS CA C 43 57.366 57.366 55.906 1.460 25576 2977 1 6 . 1 1 43 43 HIS CB C 43 30.155 30.155 30.618 -0.463 25576 2978 1 6 . 1 1 43 43 HIS H H 43 8.807 8.807 8.649 0.158 25576 2979 1 6 . 1 1 44 44 LEU N N 44 124.757 124.757 124.644 0.113 25576 2980 1 6 . 1 1 44 44 LEU HA H 44 3.983 3.983 4.162 -0.179 25576 2981 1 6 . 1 1 44 44 LEU C C 44 177.051 177.051 177.967 -0.916 25576 2982 1 6 . 1 1 44 44 LEU CA C 44 58.790 58.790 55.611 3.179 25576 2983 1 6 . 1 1 44 44 LEU CB C 44 41.240 41.240 41.155 0.085 25576 2984 1 6 . 1 1 44 44 LEU H H 44 9.349 9.349 9.026 0.323 25576 2985 1 6 . 1 1 45 45 LYS N N 45 121.424 121.424 118.834 2.590 25576 2986 1 6 . 1 1 45 45 LYS HA H 45 3.584 3.584 3.854 -0.270 25576 2987 1 6 . 1 1 45 45 LYS C C 45 176.867 176.867 178.153 -1.286 25576 2988 1 6 . 1 1 45 45 LYS CA C 45 60.662 60.662 59.139 1.524 25576 2989 1 6 . 1 1 45 45 LYS CB C 45 33.389 33.389 31.147 2.242 25576 2990 1 6 . 1 1 45 45 LYS H H 45 8.543 8.543 7.711 0.832 25576 2991 1 6 . 1 1 46 46 LYS N N 46 114.033 114.033 118.130 -4.097 25576 2992 1 6 . 1 1 46 46 LYS HA H 46 4.087 4.087 4.241 -0.154 25576 2993 1 6 . 1 1 46 46 LYS C C 46 178.977 178.977 178.599 0.378 25576 2994 1 6 . 1 1 46 46 LYS CA C 46 58.615 58.615 58.618 -0.003 25576 2995 1 6 . 1 1 46 46 LYS CB C 46 31.643 31.643 31.933 -0.290 25576 2996 1 6 . 1 1 46 46 LYS H H 46 7.517 7.517 7.556 -0.039 25576 2997 1 6 . 1 1 47 47 LEU N N 47 121.871 121.871 121.641 0.230 25576 2998 1 6 . 1 1 47 47 LEU HA H 47 3.660 3.660 3.818 -0.158 25576 2999 1 6 . 1 1 47 47 LEU C C 47 177.575 177.575 178.136 -0.561 25576 3000 1 6 . 1 1 47 47 LEU CA C 47 58.514 58.514 57.429 1.085 25576 3001 1 6 . 1 1 47 47 LEU CB C 47 41.890 41.890 41.763 0.127 25576 3002 1 6 . 1 1 47 47 LEU H H 47 6.739 6.739 7.474 -0.735 25576 3003 1 6 . 1 1 48 48 LYS N N 48 118.246 118.246 119.288 -1.042 25576 3004 1 6 . 1 1 48 48 LYS HA H 48 3.081 3.081 4.085 -1.004 25576 3005 1 6 . 1 1 48 48 LYS C C 48 178.700 178.700 179.066 -0.366 25576 3006 1 6 . 1 1 48 48 LYS CA C 48 59.712 59.712 60.295 -0.583 25576 3007 1 6 . 1 1 48 48 LYS CB C 48 32.411 32.411 31.944 0.467 25576 3008 1 6 . 1 1 48 48 LYS H H 48 7.556 7.556 8.241 -0.685 25576 3009 1 6 . 1 1 49 49 GLU N N 49 118.092 118.092 117.594 0.498 25576 3010 1 6 . 1 1 49 49 GLU HA H 49 3.973 3.973 3.868 0.105 25576 3011 1 6 . 1 1 49 49 GLU C C 49 179.453 179.453 178.531 0.922 25576 3012 1 6 . 1 1 49 49 GLU CA C 49 59.627 59.627 59.139 0.488 25576 3013 1 6 . 1 1 49 49 GLU CB C 49 30.120 30.120 28.761 1.359 25576 3014 1 6 . 1 1 49 49 GLU H H 49 8.500 8.500 8.256 0.244 25576 3015 1 6 . 1 1 50 50 SER N N 50 115.646 115.646 116.802 -1.156 25576 3016 1 6 . 1 1 50 50 SER HA H 50 4.260 4.260 4.163 0.097 25576 3017 1 6 . 1 1 50 50 SER C C 50 177.171 177.171 176.686 0.485 25576 3018 1 6 . 1 1 50 50 SER CA C 50 61.947 61.947 61.454 0.493 25576 3019 1 6 . 1 1 50 50 SER CB C 50 63.258 63.258 63.172 0.086 25576 3020 1 6 . 1 1 50 50 SER H H 50 7.966 7.966 7.658 0.308 25576 3021 1 6 . 1 1 51 51 TYR N N 51 122.610 122.610 119.841 2.769 25576 3022 1 6 . 1 1 51 51 TYR HA H 51 4.026 4.026 4.540 -0.514 25576 3023 1 6 . 1 1 51 51 TYR C C 51 177.374 177.374 177.407 -0.033 25576 3024 1 6 . 1 1 51 51 TYR CA C 51 63.608 63.608 60.038 3.570 25576 3025 1 6 . 1 1 51 51 TYR CB C 51 38.618 38.618 37.831 0.787 25576 3026 1 6 . 1 1 51 51 TYR H H 51 8.833 8.833 8.077 0.756 25576 3027 1 6 . 1 1 52 52 CYS N N 52 117.395 117.395 119.645 -2.250 25576 3028 1 6 . 1 1 52 52 CYS HA H 52 3.915 3.915 3.721 0.194 25576 3029 1 6 . 1 1 52 52 CYS C C 52 177.182 177.182 176.595 0.587 25576 3030 1 6 . 1 1 52 52 CYS CA C 52 65.108 65.108 64.431 0.677 25576 3031 1 6 . 1 1 52 52 CYS CB C 52 26.151 26.151 27.127 -0.976 25576 3032 1 6 . 1 1 52 52 CYS H H 52 8.676 8.676 7.537 1.139 25576 3033 1 6 . 1 1 53 53 GLN N N 53 119.196 119.196 118.731 0.465 25576 3034 1 6 . 1 1 53 53 GLN HA H 53 4.109 4.109 4.004 0.105 25576 3035 1 6 . 1 1 53 53 GLN C C 53 179.105 179.105 178.184 0.921 25576 3036 1 6 . 1 1 53 53 GLN CA C 53 58.973 58.973 58.258 0.715 25576 3037 1 6 . 1 1 53 53 GLN CB C 53 28.211 28.211 27.978 0.233 25576 3038 1 6 . 1 1 53 53 GLN H H 53 8.322 8.322 7.960 0.362 25576 3039 1 6 . 1 1 54 54 ARG N N 54 120.139 120.139 119.904 0.235 25576 3040 1 6 . 1 1 54 54 ARG HA H 54 4.018 4.018 4.131 -0.113 25576 3041 1 6 . 1 1 54 54 ARG C C 54 178.300 178.300 178.551 -0.251 25576 3042 1 6 . 1 1 54 54 ARG CA C 54 58.552 58.552 58.324 0.228 25576 3043 1 6 . 1 1 54 54 ARG CB C 54 29.669 29.669 29.850 -0.181 25576 3044 1 6 . 1 1 54 54 ARG H H 54 8.011 8.011 7.703 0.308 25576 3045 1 6 . 1 1 55 55 GLN N N 55 114.160 114.160 116.732 -2.572 25576 3046 1 6 . 1 1 55 55 GLN HA H 55 4.251 4.251 4.337 -0.086 25576 3047 1 6 . 1 1 55 55 GLN C C 55 176.410 176.410 176.990 -0.580 25576 3048 1 6 . 1 1 55 55 GLN CA C 55 55.119 55.119 56.895 -1.776 25576 3049 1 6 . 1 1 55 55 GLN CB C 55 29.424 29.424 29.571 -0.147 25576 3050 1 6 . 1 1 55 55 GLN H H 55 7.806 7.806 7.778 0.028 25576 3051 1 6 . 1 1 56 56 GLY N N 56 109.749 109.749 107.524 2.225 25576 3052 1 6 . 1 1 56 56 GLY C C 56 174.908 174.908 173.975 0.933 25576 3053 1 6 . 1 1 56 56 GLY CA C 56 46.658 46.658 45.283 1.375 25576 3054 1 6 . 1 1 56 56 GLY H H 56 7.932 7.932 7.778 0.154 25576 3055 1 6 . 1 1 57 57 VAL N N 57 111.990 111.990 116.496 -4.506 25576 3056 1 6 . 1 1 57 57 VAL HA H 57 4.941 4.941 4.692 0.249 25576 3057 1 6 . 1 1 57 57 VAL CA C 57 57.534 57.534 58.368 -0.834 25576 3058 1 6 . 1 1 57 57 VAL CB C 57 32.697 32.697 33.144 -0.447 25576 3059 1 6 . 1 1 57 57 VAL H H 57 7.651 7.651 7.699 -0.048 25576 3060 1 6 . 1 1 58 58 PRO HA H 58 4.528 4.528 4.660 -0.132 25576 3061 1 6 . 1 1 58 58 PRO C C 58 179.169 179.169 177.092 2.077 25576 3062 1 6 . 1 1 58 58 PRO CA C 58 62.211 62.211 62.801 -0.591 25576 3063 1 6 . 1 1 58 58 PRO CB C 58 32.543 32.543 32.583 -0.040 25576 3064 1 6 . 1 1 59 59 MET N N 59 124.522 124.522 119.311 5.211 25576 3065 1 6 . 1 1 59 59 MET HA H 59 4.703 4.703 4.182 0.521 25576 3066 1 6 . 1 1 59 59 MET C C 59 177.459 177.459 176.183 1.276 25576 3067 1 6 . 1 1 59 59 MET CA C 59 58.247 58.247 58.124 0.123 25576 3068 1 6 . 1 1 59 59 MET CB C 59 32.795 32.795 32.434 0.361 25576 3069 1 6 . 1 1 59 59 MET H H 59 9.002 9.002 8.563 0.439 25576 3070 1 6 . 1 1 60 60 ASN N N 60 113.185 113.185 112.077 1.108 25576 3071 1 6 . 1 1 60 60 ASN HA H 60 4.673 4.673 4.616 0.057 25576 3072 1 6 . 1 1 60 60 ASN C C 60 175.674 175.674 175.830 -0.156 25576 3073 1 6 . 1 1 60 60 ASN CA C 60 53.935 53.935 54.192 -0.257 25576 3074 1 6 . 1 1 60 60 ASN CB C 60 37.217 37.217 38.220 -1.003 25576 3075 1 6 . 1 1 60 60 ASN H H 60 8.424 8.424 8.190 0.234 25576 3076 1 6 . 1 1 61 61 SER N N 61 113.092 113.092 114.686 -1.594 25576 3077 1 6 . 1 1 61 61 SER HA H 61 4.500 4.500 4.547 -0.047 25576 3078 1 6 . 1 1 61 61 SER C C 61 173.455 173.455 173.230 0.225 25576 3079 1 6 . 1 1 61 61 SER CA C 61 59.609 59.609 59.814 -0.205 25576 3080 1 6 . 1 1 61 61 SER CB C 61 64.812 64.812 64.532 0.279 25576 3081 1 6 . 1 1 61 61 SER H H 61 7.931 7.931 7.740 0.191 25576 3082 1 6 . 1 1 62 62 LEU N N 62 120.961 120.961 116.340 4.621 25576 3083 1 6 . 1 1 62 62 LEU HA H 62 5.109 5.109 4.969 0.140 25576 3084 1 6 . 1 1 62 62 LEU C C 62 175.588 175.588 175.751 -0.163 25576 3085 1 6 . 1 1 62 62 LEU CA C 62 53.575 53.575 52.650 0.925 25576 3086 1 6 . 1 1 62 62 LEU CB C 62 46.262 46.262 45.041 1.222 25576 3087 1 6 . 1 1 62 62 LEU H H 62 7.265 7.265 7.118 0.147 25576 3088 1 6 . 1 1 63 63 ARG N N 63 120.142 120.142 120.108 0.034 25576 3089 1 6 . 1 1 63 63 ARG HA H 63 4.668 4.668 4.403 0.265 25576 3090 1 6 . 1 1 63 63 ARG C C 63 172.784 172.784 175.116 -2.332 25576 3091 1 6 . 1 1 63 63 ARG CA C 63 54.488 54.488 54.092 0.396 25576 3092 1 6 . 1 1 63 63 ARG CB C 63 33.111 33.111 31.384 1.727 25576 3093 1 6 . 1 1 63 63 ARG H H 63 8.993 8.993 8.937 0.056 25576 3094 1 6 . 1 1 64 64 PHE N N 64 122.537 122.537 122.722 -0.185 25576 3095 1 6 . 1 1 64 64 PHE HA H 64 4.959 4.959 5.438 -0.479 25576 3096 1 6 . 1 1 64 64 PHE C C 64 174.150 174.150 174.297 -0.147 25576 3097 1 6 . 1 1 64 64 PHE CA C 64 56.347 56.347 54.821 1.526 25576 3098 1 6 . 1 1 64 64 PHE CB C 64 40.762 40.762 39.208 1.554 25576 3099 1 6 . 1 1 64 64 PHE H H 64 8.923 8.923 8.072 0.851 25576 3100 1 6 . 1 1 65 65 LEU N N 65 124.212 124.212 119.834 4.378 25576 3101 1 6 . 1 1 65 65 LEU HA H 65 5.290 5.290 5.689 -0.399 25576 3102 1 6 . 1 1 65 65 LEU C C 65 175.903 175.903 174.402 1.501 25576 3103 1 6 . 1 1 65 65 LEU CA C 65 53.729 53.729 53.430 0.299 25576 3104 1 6 . 1 1 65 65 LEU CB C 65 46.385 46.385 46.214 0.171 25576 3105 1 6 . 1 1 65 65 LEU H H 65 9.738 9.738 9.130 0.608 25576 3106 1 6 . 1 1 66 66 PHE N N 66 119.384 119.384 120.510 -1.126 25576 3107 1 6 . 1 1 66 66 PHE HA H 66 5.202 5.202 5.005 0.197 25576 3108 1 6 . 1 1 66 66 PHE C C 66 175.017 175.017 174.821 0.196 25576 3109 1 6 . 1 1 66 66 PHE CA C 66 56.291 56.291 57.726 -1.435 25576 3110 1 6 . 1 1 66 66 PHE CB C 66 41.700 41.700 42.750 -1.050 25576 3111 1 6 . 1 1 66 66 PHE H H 66 8.968 8.968 9.046 -0.078 25576 3112 1 6 . 1 1 67 67 GLU N N 67 129.196 129.196 124.703 4.493 25576 3113 1 6 . 1 1 67 67 GLU HA H 67 3.540 3.540 3.595 -0.055 25576 3114 1 6 . 1 1 67 67 GLU C C 67 176.778 176.778 176.106 0.672 25576 3115 1 6 . 1 1 67 67 GLU CA C 67 56.769 56.769 56.754 0.015 25576 3116 1 6 . 1 1 67 67 GLU CB C 67 26.897 26.897 27.375 -0.478 25576 3117 1 6 . 1 1 67 67 GLU H H 67 9.381 9.381 8.692 0.689 25576 3118 1 6 . 1 1 68 68 GLY N N 68 103.263 103.263 105.108 -1.845 25576 3119 1 6 . 1 1 68 68 GLY C C 68 173.651 173.651 173.182 0.469 25576 3120 1 6 . 1 1 68 68 GLY CA C 68 45.476 45.476 44.897 0.579 25576 3121 1 6 . 1 1 68 68 GLY H H 68 8.858 8.858 8.260 0.598 25576 3122 1 6 . 1 1 69 69 GLN N N 69 120.732 120.732 118.781 1.951 25576 3123 1 6 . 1 1 69 69 GLN HA H 69 4.589 4.589 4.704 -0.115 25576 3124 1 6 . 1 1 69 69 GLN C C 69 175.204 175.204 174.758 0.446 25576 3125 1 6 . 1 1 69 69 GLN CA C 69 53.776 53.776 54.102 -0.326 25576 3126 1 6 . 1 1 69 69 GLN CB C 69 30.660 30.660 31.879 -1.219 25576 3127 1 6 . 1 1 69 69 GLN H H 69 7.996 7.996 8.075 -0.079 25576 3128 1 6 . 1 1 70 70 ARG N N 70 125.102 125.102 125.112 -0.010 25576 3129 1 6 . 1 1 70 70 ARG HA H 70 4.395 4.395 4.629 -0.234 25576 3130 1 6 . 1 1 70 70 ARG C C 70 177.004 177.004 175.371 1.633 25576 3131 1 6 . 1 1 70 70 ARG CA C 70 57.305 57.305 56.036 1.269 25576 3132 1 6 . 1 1 70 70 ARG CB C 70 30.511 30.511 30.850 -0.339 25576 3133 1 6 . 1 1 70 70 ARG H H 70 8.823 8.823 8.796 0.027 25576 3134 1 6 . 1 1 71 71 ILE N N 71 126.949 126.949 122.834 4.115 25576 3135 1 6 . 1 1 71 71 ILE HA H 71 4.477 4.477 4.515 -0.038 25576 3136 1 6 . 1 1 71 71 ILE C C 71 176.145 176.145 175.270 0.875 25576 3137 1 6 . 1 1 71 71 ILE CA C 71 61.337 61.337 58.854 2.483 25576 3138 1 6 . 1 1 71 71 ILE CB C 71 39.067 39.067 36.444 2.623 25576 3139 1 6 . 1 1 71 71 ILE H H 71 9.020 9.020 8.522 0.498 25576 3140 1 6 . 1 1 72 72 ALA N N 72 139.307 139.307 130.898 8.409 25576 3141 1 6 . 1 1 72 72 ALA HA H 72 4.334 4.334 4.427 -0.093 25576 3142 1 6 . 1 1 72 72 ALA C C 72 177.973 177.973 178.126 -0.153 25576 3143 1 6 . 1 1 72 72 ALA CA C 72 50.785 50.785 50.228 0.557 25576 3144 1 6 . 1 1 72 72 ALA CB C 72 18.407 18.407 20.624 -2.217 25576 3145 1 6 . 1 1 72 72 ALA H H 72 10.910 10.910 7.915 2.995 25576 3146 1 6 . 1 1 73 73 ASP N N 73 120.493 120.493 119.284 1.209 25576 3147 1 6 . 1 1 73 73 ASP HA H 73 3.823 3.823 4.251 -0.428 25576 3148 1 6 . 1 1 73 73 ASP C C 73 176.104 176.104 176.553 -0.449 25576 3149 1 6 . 1 1 73 73 ASP CA C 73 57.113 57.113 56.946 0.167 25576 3150 1 6 . 1 1 73 73 ASP CB C 73 40.032 40.032 40.738 -0.706 25576 3151 1 6 . 1 1 73 73 ASP H H 73 8.770 8.770 8.620 0.150 25576 3152 1 6 . 1 1 74 74 ASN N N 74 109.526 109.526 114.517 -4.991 25576 3153 1 6 . 1 1 74 74 ASN HA H 74 4.245 4.245 4.213 0.032 25576 3154 1 6 . 1 1 74 74 ASN C C 74 176.050 176.050 174.572 1.478 25576 3155 1 6 . 1 1 74 74 ASN CA C 74 52.073 52.073 52.687 -0.614 25576 3156 1 6 . 1 1 74 74 ASN CB C 74 37.343 37.343 38.383 -1.040 25576 3157 1 6 . 1 1 74 74 ASN H H 74 7.738 7.738 8.155 -0.417 25576 3158 1 6 . 1 1 75 75 HIS N N 75 119.821 119.821 120.352 -0.531 25576 3159 1 6 . 1 1 75 75 HIS HA H 75 4.908 4.908 4.646 0.262 25576 3160 1 6 . 1 1 75 75 HIS C C 75 175.680 175.680 174.044 1.636 25576 3161 1 6 . 1 1 75 75 HIS CA C 75 56.606 56.606 55.911 0.695 25576 3162 1 6 . 1 1 75 75 HIS CB C 75 33.549 33.549 31.363 2.186 25576 3163 1 6 . 1 1 75 75 HIS H H 75 7.149 7.149 7.552 -0.403 25576 3164 1 6 . 1 1 76 76 THR N N 76 108.304 108.304 113.528 -5.224 25576 3165 1 6 . 1 1 76 76 THR HA H 76 5.197 5.197 5.257 -0.060 25576 3166 1 6 . 1 1 76 76 THR CA C 76 57.594 57.594 57.668 -0.074 25576 3167 1 6 . 1 1 76 76 THR CB C 76 70.033 70.033 71.252 -1.219 25576 3168 1 6 . 1 1 76 76 THR H H 76 7.303 7.303 8.263 -0.960 25576 3169 1 6 . 1 1 77 77 PRO HA H 77 4.241 4.241 4.126 0.115 25576 3170 1 6 . 1 1 77 77 PRO C C 77 178.445 178.445 177.960 0.485 25576 3171 1 6 . 1 1 77 77 PRO CA C 77 65.724 65.724 65.170 0.554 25576 3172 1 6 . 1 1 77 77 PRO CB C 77 32.479 32.479 31.860 0.619 25576 3173 1 6 . 1 1 78 78 LYS N N 78 115.329 115.329 116.331 -1.002 25576 3174 1 6 . 1 1 78 78 LYS HA H 78 3.956 3.956 4.053 -0.097 25576 3175 1 6 . 1 1 78 78 LYS C C 78 179.328 179.328 178.788 0.540 25576 3176 1 6 . 1 1 78 78 LYS CA C 78 59.012 59.012 59.148 -0.136 25576 3177 1 6 . 1 1 78 78 LYS CB C 78 32.845 32.845 31.638 1.207 25576 3178 1 6 . 1 1 78 78 LYS H H 78 8.073 8.073 7.700 0.373 25576 3179 1 6 . 1 1 79 79 GLU N N 79 120.840 120.840 119.520 1.320 25576 3180 1 6 . 1 1 79 79 GLU HA H 79 3.957 3.957 4.129 -0.172 25576 3181 1 6 . 1 1 79 79 GLU C C 79 178.566 178.566 178.447 0.119 25576 3182 1 6 . 1 1 79 79 GLU CA C 79 58.790 58.790 58.315 0.476 25576 3183 1 6 . 1 1 79 79 GLU CB C 79 30.290 30.290 29.370 0.920 25576 3184 1 6 . 1 1 79 79 GLU H H 79 7.978 7.978 7.580 0.398 25576 3185 1 6 . 1 1 80 80 LEU N N 80 115.072 115.072 117.687 -2.615 25576 3186 1 6 . 1 1 80 80 LEU HA H 80 4.222 4.222 4.333 -0.111 25576 3187 1 6 . 1 1 80 80 LEU C C 80 176.602 176.602 177.498 -0.896 25576 3188 1 6 . 1 1 80 80 LEU CA C 80 54.613 54.613 55.107 -0.494 25576 3189 1 6 . 1 1 80 80 LEU CB C 80 42.453 42.453 42.058 0.395 25576 3190 1 6 . 1 1 80 80 LEU H H 80 7.486 7.486 7.993 -0.507 25576 3191 1 6 . 1 1 81 81 GLY N N 81 108.019 108.019 106.810 1.209 25576 3192 1 6 . 1 1 81 81 GLY C C 81 175.390 175.390 174.245 1.145 25576 3193 1 6 . 1 1 81 81 GLY CA C 81 46.622 46.622 45.205 1.417 25576 3194 1 6 . 1 1 81 81 GLY H H 81 7.644 7.644 7.326 0.318 25576 3195 1 6 . 1 1 82 82 MET N N 82 117.606 117.606 118.660 -1.054 25576 3196 1 6 . 1 1 82 82 MET HA H 82 4.185 4.185 5.030 -0.845 25576 3197 1 6 . 1 1 82 82 MET C C 82 174.482 174.482 175.235 -0.753 25576 3198 1 6 . 1 1 82 82 MET CA C 82 57.019 57.019 55.259 1.760 25576 3199 1 6 . 1 1 82 82 MET CB C 82 34.089 34.089 35.330 -1.241 25576 3200 1 6 . 1 1 82 82 MET H H 82 7.628 7.628 8.129 -0.501 25576 3201 1 6 . 1 1 83 83 GLU N N 83 120.980 120.980 117.913 3.067 25576 3202 1 6 . 1 1 83 83 GLU HA H 83 4.457 4.457 4.788 -0.331 25576 3203 1 6 . 1 1 83 83 GLU C C 83 174.297 174.297 175.391 -1.094 25576 3204 1 6 . 1 1 83 83 GLU CA C 83 53.875 53.875 54.130 -0.255 25576 3205 1 6 . 1 1 83 83 GLU CB C 83 33.937 33.937 32.438 1.499 25576 3206 1 6 . 1 1 83 83 GLU H H 83 9.314 9.314 8.483 0.831 25576 3207 1 6 . 1 1 84 84 GLU N N 84 119.063 119.063 120.334 -1.271 25576 3208 1 6 . 1 1 84 84 GLU HA H 84 4.199 4.199 4.177 0.022 25576 3209 1 6 . 1 1 84 84 GLU C C 84 177.527 177.527 176.600 0.927 25576 3210 1 6 . 1 1 84 84 GLU CA C 84 58.549 58.549 56.961 1.588 25576 3211 1 6 . 1 1 84 84 GLU CB C 84 29.993 29.993 29.613 0.380 25576 3212 1 6 . 1 1 84 84 GLU H H 84 8.341 8.341 8.452 -0.111 25576 3213 1 6 . 1 1 85 85 GLU N N 85 118.840 118.840 119.855 -1.015 25576 3214 1 6 . 1 1 85 85 GLU HA H 85 3.645 3.645 3.835 -0.190 25576 3215 1 6 . 1 1 85 85 GLU C C 85 175.047 175.047 175.633 -0.586 25576 3216 1 6 . 1 1 85 85 GLU CA C 85 58.846 58.846 57.802 1.044 25576 3217 1 6 . 1 1 85 85 GLU CB C 85 26.691 26.691 29.206 -2.515 25576 3218 1 6 . 1 1 85 85 GLU H H 85 9.357 9.357 8.838 0.519 25576 3219 1 6 . 1 1 86 86 ASP N N 86 120.217 120.217 119.564 0.653 25576 3220 1 6 . 1 1 86 86 ASP HA H 86 4.880 4.880 4.575 0.305 25576 3221 1 6 . 1 1 86 86 ASP C C 86 174.417 174.417 174.573 -0.156 25576 3222 1 6 . 1 1 86 86 ASP CA C 86 55.822 55.822 55.376 0.446 25576 3223 1 6 . 1 1 86 86 ASP CB C 86 41.926 41.926 42.203 -0.277 25576 3224 1 6 . 1 1 86 86 ASP H H 86 8.155 8.155 7.671 0.484 25576 3225 1 6 . 1 1 87 87 VAL N N 87 116.641 116.641 120.861 -4.220 25576 3226 1 6 . 1 1 87 87 VAL HA H 87 4.924 4.924 5.110 -0.186 25576 3227 1 6 . 1 1 87 87 VAL C C 87 176.064 176.064 174.648 1.416 25576 3228 1 6 . 1 1 87 87 VAL CA C 87 61.311 61.311 60.109 1.202 25576 3229 1 6 . 1 1 87 87 VAL CB C 87 35.067 35.067 35.070 -0.003 25576 3230 1 6 . 1 1 87 87 VAL H H 87 8.191 8.191 8.281 -0.090 25576 3231 1 6 . 1 1 88 88 ILE N N 88 127.353 127.353 126.051 1.302 25576 3232 1 6 . 1 1 88 88 ILE HA H 88 4.845 4.845 4.627 0.218 25576 3233 1 6 . 1 1 88 88 ILE C C 88 174.967 174.967 173.936 1.031 25576 3234 1 6 . 1 1 88 88 ILE CA C 88 59.381 59.381 59.974 -0.593 25576 3235 1 6 . 1 1 88 88 ILE CB C 88 40.984 40.984 40.787 0.197 25576 3236 1 6 . 1 1 88 88 ILE H H 88 9.165 9.165 9.012 0.153 25576 3237 1 6 . 1 1 89 89 GLU N N 89 125.851 125.851 124.294 1.557 25576 3238 1 6 . 1 1 89 89 GLU HA H 89 4.820 4.820 4.679 0.141 25576 3239 1 6 . 1 1 89 89 GLU C C 89 175.262 175.262 174.926 0.336 25576 3240 1 6 . 1 1 89 89 GLU CA C 89 55.158 55.158 54.934 0.224 25576 3241 1 6 . 1 1 89 89 GLU CB C 89 33.359 33.359 32.295 1.064 25576 3242 1 6 . 1 1 89 89 GLU H H 89 8.858 8.858 8.675 0.183 25576 3243 1 6 . 1 1 90 90 VAL N N 90 119.735 119.735 126.077 -6.342 25576 3244 1 6 . 1 1 90 90 VAL HA H 90 4.817 4.817 5.420 -0.603 25576 3245 1 6 . 1 1 90 90 VAL C C 90 174.870 174.870 174.623 0.247 25576 3246 1 6 . 1 1 90 90 VAL CA C 90 59.412 59.412 60.747 -1.335 25576 3247 1 6 . 1 1 90 90 VAL CB C 90 34.031 34.031 34.105 -0.074 25576 3248 1 6 . 1 1 90 90 VAL H H 90 7.770 7.770 7.976 -0.206 25576 3249 1 6 . 1 1 91 91 TYR N N 91 124.243 124.243 125.066 -0.823 25576 3250 1 6 . 1 1 91 91 TYR HA H 91 4.621 4.621 4.727 -0.106 25576 3251 1 6 . 1 1 91 91 TYR C C 91 174.588 174.588 174.660 -0.072 25576 3252 1 6 . 1 1 91 91 TYR CA C 91 56.018 56.018 57.058 -1.040 25576 3253 1 6 . 1 1 91 91 TYR CB C 91 42.641 42.641 42.217 0.424 25576 3254 1 6 . 1 1 91 91 TYR H H 91 8.540 8.540 9.220 -0.680 25576 3255 1 6 . 1 1 92 92 GLN N N 92 120.784 120.784 120.712 0.072 25576 3256 1 6 . 1 1 92 92 GLN HA H 92 4.529 4.529 4.567 -0.038 25576 3257 1 6 . 1 1 92 92 GLN C C 92 176.679 176.679 175.610 1.069 25576 3258 1 6 . 1 1 92 92 GLN CA C 92 56.135 56.135 55.196 0.939 25576 3259 1 6 . 1 1 92 92 GLN CB C 92 29.342 29.342 29.874 -0.532 25576 3260 1 6 . 1 1 92 92 GLN H H 92 8.726 8.726 8.786 -0.060 25576 3261 1 6 . 1 1 93 93 GLU N N 93 125.131 125.131 124.822 0.309 25576 3262 1 6 . 1 1 93 93 GLU HA H 93 4.364 4.364 4.521 -0.157 25576 3263 1 6 . 1 1 93 93 GLU C C 93 176.244 176.244 176.504 -0.260 25576 3264 1 6 . 1 1 93 93 GLU CA C 93 56.111 56.111 55.803 0.308 25576 3265 1 6 . 1 1 93 93 GLU CB C 93 30.517 30.517 30.174 0.343 25576 3266 1 6 . 1 1 93 93 GLU H H 93 8.419 8.419 8.941 -0.522 25576 3267 1 6 . 1 1 94 94 GLN N N 94 122.912 122.912 119.189 3.723 25576 3268 1 6 . 1 1 94 94 GLN HA H 94 4.439 4.439 4.201 0.238 25576 3269 1 6 . 1 1 94 94 GLN C C 94 176.135 176.135 176.388 -0.253 25576 3270 1 6 . 1 1 94 94 GLN CA C 94 55.585 55.585 56.736 -1.151 25576 3271 1 6 . 1 1 94 94 GLN CB C 94 29.513 29.513 29.413 0.100 25576 3272 1 6 . 1 1 94 94 GLN H H 94 8.780 8.780 8.052 0.728 25576 3273 1 6 . 1 1 95 95 THR N N 95 116.094 116.094 110.724 5.370 25576 3274 1 6 . 1 1 95 95 THR HA H 95 4.294 4.294 4.416 -0.122 25576 3275 1 6 . 1 1 95 95 THR C C 95 175.136 175.136 173.603 1.533 25576 3276 1 6 . 1 1 95 95 THR CA C 95 61.971 61.971 61.891 0.080 25576 3277 1 6 . 1 1 95 95 THR CB C 95 69.829 69.829 69.820 0.009 25576 3278 1 6 . 1 1 95 95 THR H H 95 8.392 8.392 8.622 -0.230 25576 3279 1 6 . 1 1 96 96 GLY N N 96 111.858 111.858 108.633 3.225 25576 3280 1 6 . 1 1 96 96 GLY C C 96 173.704 173.704 174.077 -0.373 25576 3281 1 6 . 1 1 96 96 GLY CA C 96 45.424 45.424 45.232 0.192 25576 3282 1 6 . 1 1 96 96 GLY H H 96 8.508 8.508 8.881 -0.373 25576 3283 1 7 . 1 1 2 2 SER N N 2 116.367 116.367 116.475 -0.108 25576 3284 1 7 . 1 1 2 2 SER HA H 2 4.458 4.458 4.574 -0.116 25576 3285 1 7 . 1 1 2 2 SER C C 2 174.579 174.579 174.534 0.045 25576 3286 1 7 . 1 1 2 2 SER CA C 2 58.539 58.539 59.155 -0.616 25576 3287 1 7 . 1 1 2 2 SER CB C 2 63.940 63.940 63.416 0.524 25576 3288 1 7 . 1 1 2 2 SER H H 2 8.127 8.127 8.377 -0.250 25576 3289 1 7 . 1 1 3 3 ASP N N 3 122.355 122.355 118.856 3.499 25576 3290 1 7 . 1 1 3 3 ASP HA H 3 4.566 4.566 4.718 -0.152 25576 3291 1 7 . 1 1 3 3 ASP C C 3 176.445 176.445 176.938 -0.493 25576 3292 1 7 . 1 1 3 3 ASP CA C 3 54.819 54.819 54.413 0.407 25576 3293 1 7 . 1 1 3 3 ASP CB C 3 40.939 40.939 41.166 -0.228 25576 3294 1 7 . 1 1 3 3 ASP H H 3 8.360 8.360 8.107 0.253 25576 3295 1 7 . 1 1 4 4 GLN N N 4 119.955 119.955 118.824 1.131 25576 3296 1 7 . 1 1 4 4 GLN HA H 4 4.262 4.262 4.270 -0.008 25576 3297 1 7 . 1 1 4 4 GLN C C 4 176.138 176.138 176.115 0.023 25576 3298 1 7 . 1 1 4 4 GLN CA C 4 55.933 55.933 56.868 -0.935 25576 3299 1 7 . 1 1 4 4 GLN CB C 4 29.411 29.411 29.313 0.098 25576 3300 1 7 . 1 1 4 4 GLN H H 4 8.250 8.250 8.177 0.073 25576 3301 1 7 . 1 1 5 5 GLU N N 5 121.392 121.392 119.581 1.811 25576 3302 1 7 . 1 1 5 5 GLU HA H 5 4.203 4.203 4.304 -0.101 25576 3303 1 7 . 1 1 5 5 GLU C C 5 176.137 176.137 175.524 0.613 25576 3304 1 7 . 1 1 5 5 GLU CA C 5 56.480 56.480 55.757 0.723 25576 3305 1 7 . 1 1 5 5 GLU CB C 5 30.261 30.261 30.303 -0.042 25576 3306 1 7 . 1 1 5 5 GLU H H 5 8.292 8.292 7.999 0.293 25576 3307 1 7 . 1 1 6 6 ALA N N 6 125.339 125.339 125.470 -0.131 25576 3308 1 7 . 1 1 6 6 ALA HA H 6 4.261 4.261 4.316 -0.055 25576 3309 1 7 . 1 1 6 6 ALA C C 6 177.348 177.348 177.416 -0.068 25576 3310 1 7 . 1 1 6 6 ALA CA C 6 52.319 52.319 52.054 0.265 25576 3311 1 7 . 1 1 6 6 ALA CB C 6 19.120 19.120 19.107 0.013 25576 3312 1 7 . 1 1 6 6 ALA H H 6 8.253 8.253 8.236 0.017 25576 3313 1 7 . 1 1 7 7 LYS N N 7 122.299 122.299 124.752 -2.453 25576 3314 1 7 . 1 1 7 7 LYS HA H 7 4.573 4.573 4.721 -0.148 25576 3315 1 7 . 1 1 7 7 LYS CA C 7 54.062 54.062 53.179 0.883 25576 3316 1 7 . 1 1 7 7 LYS CB C 7 32.588 32.588 32.793 -0.205 25576 3317 1 7 . 1 1 7 7 LYS H H 7 8.302 8.302 8.147 0.155 25576 3318 1 7 . 1 1 8 8 PRO HA H 8 4.425 4.425 4.388 0.037 25576 3319 1 7 . 1 1 8 8 PRO C C 8 177.020 177.020 176.394 0.626 25576 3320 1 7 . 1 1 8 8 PRO CA C 8 63.029 63.029 63.499 -0.470 25576 3321 1 7 . 1 1 8 8 PRO CB C 8 32.158 32.158 31.598 0.561 25576 3322 1 7 . 1 1 9 9 SER N N 9 116.888 116.888 117.572 -0.684 25576 3323 1 7 . 1 1 9 9 SER HA H 9 4.479 4.479 4.554 -0.075 25576 3324 1 7 . 1 1 9 9 SER C C 9 174.261 174.261 174.654 -0.393 25576 3325 1 7 . 1 1 9 9 SER CA C 9 58.299 58.299 58.019 0.280 25576 3326 1 7 . 1 1 9 9 SER CB C 9 63.848 63.848 63.557 0.291 25576 3327 1 7 . 1 1 9 9 SER H H 9 8.596 8.596 8.449 0.147 25576 3328 1 7 . 1 1 10 10 THR N N 10 115.838 115.838 119.692 -3.854 25576 3329 1 7 . 1 1 10 10 THR HA H 10 4.334 4.334 4.283 0.051 25576 3330 1 7 . 1 1 10 10 THR C C 10 176.158 176.158 174.472 1.686 25576 3331 1 7 . 1 1 10 10 THR CA C 10 61.966 61.966 62.669 -0.703 25576 3332 1 7 . 1 1 10 10 THR CB C 10 69.581 69.581 69.595 -0.014 25576 3333 1 7 . 1 1 10 10 THR H H 10 8.247 8.247 7.674 0.573 25576 3334 1 7 . 1 1 11 11 GLU N N 11 122.975 122.975 125.153 -2.178 25576 3335 1 7 . 1 1 11 11 GLU HA H 11 4.237 4.237 4.414 -0.177 25576 3336 1 7 . 1 1 11 11 GLU C C 11 175.920 175.920 175.697 0.223 25576 3337 1 7 . 1 1 11 11 GLU CA C 11 56.779 56.779 55.694 1.085 25576 3338 1 7 . 1 1 11 11 GLU CB C 11 29.869 29.869 31.553 -1.684 25576 3339 1 7 . 1 1 11 11 GLU H H 11 8.355 8.355 8.542 -0.187 25576 3340 1 7 . 1 1 12 12 ASP N N 12 122.117 122.117 122.910 -0.793 25576 3341 1 7 . 1 1 12 12 ASP HA H 12 4.562 4.562 4.884 -0.322 25576 3342 1 7 . 1 1 12 12 ASP C C 12 176.402 176.402 176.673 -0.271 25576 3343 1 7 . 1 1 12 12 ASP CA C 12 54.224 54.224 53.715 0.509 25576 3344 1 7 . 1 1 12 12 ASP CB C 12 41.161 41.161 41.118 0.043 25576 3345 1 7 . 1 1 12 12 ASP H H 12 8.411 8.411 8.591 -0.180 25576 3346 1 7 . 1 1 13 13 LEU N N 13 123.695 123.695 122.928 0.767 25576 3347 1 7 . 1 1 13 13 LEU HA H 13 4.306 4.306 4.216 0.090 25576 3348 1 7 . 1 1 13 13 LEU C C 13 178.231 178.231 178.432 -0.201 25576 3349 1 7 . 1 1 13 13 LEU CA C 13 55.384 55.384 56.248 -0.864 25576 3350 1 7 . 1 1 13 13 LEU CB C 13 42.132 42.132 42.444 -0.312 25576 3351 1 7 . 1 1 13 13 LEU H H 13 8.391 8.391 8.257 0.134 25576 3352 1 7 . 1 1 14 14 GLY N N 14 108.928 108.928 106.797 2.131 25576 3353 1 7 . 1 1 14 14 GLY C C 14 174.014 174.014 174.227 -0.213 25576 3354 1 7 . 1 1 14 14 GLY CA C 14 45.600 45.600 44.772 0.828 25576 3355 1 7 . 1 1 14 14 GLY H H 14 8.456 8.456 7.960 0.496 25576 3356 1 7 . 1 1 15 15 ASP N N 15 120.427 120.427 119.431 0.996 25576 3357 1 7 . 1 1 15 15 ASP HA H 15 4.544 4.544 4.457 0.087 25576 3358 1 7 . 1 1 15 15 ASP C C 15 176.810 176.810 176.135 0.675 25576 3359 1 7 . 1 1 15 15 ASP CA C 15 54.389 54.389 55.283 -0.894 25576 3360 1 7 . 1 1 15 15 ASP CB C 15 41.153 41.153 40.951 0.202 25576 3361 1 7 . 1 1 15 15 ASP H H 15 8.207 8.207 8.641 -0.434 25576 3362 1 7 . 1 1 16 16 LYS N N 16 121.257 121.257 122.913 -1.656 25576 3363 1 7 . 1 1 16 16 LYS HA H 16 4.269 4.269 4.486 -0.217 25576 3364 1 7 . 1 1 16 16 LYS C C 16 176.470 176.470 175.535 0.935 25576 3365 1 7 . 1 1 16 16 LYS CA C 16 56.579 56.579 55.286 1.292 25576 3366 1 7 . 1 1 16 16 LYS CB C 16 29.470 29.470 33.946 -4.476 25576 3367 1 7 . 1 1 16 16 LYS H H 16 8.302 8.302 8.113 0.189 25576 3368 1 7 . 1 1 17 17 LYS N N 17 122.205 122.205 120.299 1.906 25576 3369 1 7 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.477 -0.210 25576 3370 1 7 . 1 1 17 17 LYS C C 17 176.837 176.837 176.279 0.558 25576 3371 1 7 . 1 1 17 17 LYS CA C 17 56.177 56.177 55.783 0.394 25576 3372 1 7 . 1 1 17 17 LYS CB C 17 32.684 32.684 33.159 -0.475 25576 3373 1 7 . 1 1 17 17 LYS H H 17 8.383 8.383 8.367 0.016 25576 3374 1 7 . 1 1 18 18 GLU N N 18 121.859 121.859 119.498 2.361 25576 3375 1 7 . 1 1 18 18 GLU HA H 18 4.252 4.252 4.314 -0.062 25576 3376 1 7 . 1 1 18 18 GLU C C 18 176.964 176.964 176.275 0.689 25576 3377 1 7 . 1 1 18 18 GLU CA C 18 57.094 57.094 56.062 1.032 25576 3378 1 7 . 1 1 18 18 GLU CB C 18 30.261 30.261 30.390 -0.129 25576 3379 1 7 . 1 1 18 18 GLU H H 18 8.497 8.497 8.427 0.070 25576 3380 1 7 . 1 1 19 19 GLY N N 19 109.716 109.716 107.419 2.297 25576 3381 1 7 . 1 1 19 19 GLY C C 19 173.520 173.520 174.049 -0.529 25576 3382 1 7 . 1 1 19 19 GLY CA C 19 45.386 45.386 44.624 0.762 25576 3383 1 7 . 1 1 19 19 GLY H H 19 8.447 8.447 8.612 -0.165 25576 3384 1 7 . 1 1 20 20 GLU N N 20 119.640 119.640 117.151 2.489 25576 3385 1 7 . 1 1 20 20 GLU HA H 20 4.255 4.255 4.009 0.246 25576 3386 1 7 . 1 1 20 20 GLU C C 20 175.453 175.453 174.807 0.646 25576 3387 1 7 . 1 1 20 20 GLU CA C 20 56.726 56.726 57.592 -0.866 25576 3388 1 7 . 1 1 20 20 GLU CB C 20 30.806 30.806 28.590 2.216 25576 3389 1 7 . 1 1 20 20 GLU H H 20 8.227 8.227 8.587 -0.360 25576 3390 1 7 . 1 1 21 21 TYR N N 21 119.301 119.301 113.717 5.584 25576 3391 1 7 . 1 1 21 21 TYR HA H 21 5.083 5.083 5.318 -0.235 25576 3392 1 7 . 1 1 21 21 TYR C C 21 175.805 175.805 174.181 1.624 25576 3393 1 7 . 1 1 21 21 TYR CA C 21 57.427 57.427 55.975 1.452 25576 3394 1 7 . 1 1 21 21 TYR CB C 21 41.620 41.620 40.574 1.046 25576 3395 1 7 . 1 1 21 21 TYR H H 21 8.367 8.367 7.245 1.122 25576 3396 1 7 . 1 1 22 22 ILE N N 22 116.642 116.642 115.258 1.384 25576 3397 1 7 . 1 1 22 22 ILE HA H 22 4.787 4.787 4.587 0.200 25576 3398 1 7 . 1 1 22 22 ILE C C 22 173.467 173.467 174.254 -0.787 25576 3399 1 7 . 1 1 22 22 ILE CA C 22 59.685 59.685 59.192 0.493 25576 3400 1 7 . 1 1 22 22 ILE CB C 22 42.383 42.383 41.505 0.878 25576 3401 1 7 . 1 1 22 22 ILE H H 22 9.151 9.151 9.077 0.074 25576 3402 1 7 . 1 1 23 23 LYS N N 23 124.306 124.306 119.491 4.815 25576 3403 1 7 . 1 1 23 23 LYS HA H 23 5.289 5.289 5.265 0.024 25576 3404 1 7 . 1 1 23 23 LYS C C 23 175.553 175.553 175.450 0.103 25576 3405 1 7 . 1 1 23 23 LYS CA C 23 55.629 55.629 55.166 0.463 25576 3406 1 7 . 1 1 23 23 LYS CB C 23 33.744 33.744 34.470 -0.726 25576 3407 1 7 . 1 1 23 23 LYS H H 23 8.623 8.623 8.278 0.345 25576 3408 1 7 . 1 1 24 24 LEU N N 24 124.177 124.177 121.621 2.556 25576 3409 1 7 . 1 1 24 24 LEU HA H 24 4.974 4.974 5.095 -0.121 25576 3410 1 7 . 1 1 24 24 LEU C C 24 175.910 175.910 174.508 1.402 25576 3411 1 7 . 1 1 24 24 LEU CA C 24 52.835 52.835 54.047 -1.212 25576 3412 1 7 . 1 1 24 24 LEU CB C 24 46.661 46.661 47.095 -0.434 25576 3413 1 7 . 1 1 24 24 LEU H H 24 8.940 8.940 8.778 0.162 25576 3414 1 7 . 1 1 25 25 LYS N N 25 120.635 120.635 120.458 0.177 25576 3415 1 7 . 1 1 25 25 LYS HA H 25 4.714 4.714 4.830 -0.116 25576 3416 1 7 . 1 1 25 25 LYS C C 25 174.125 174.125 174.208 -0.083 25576 3417 1 7 . 1 1 25 25 LYS CA C 25 55.122 55.122 53.515 1.607 25576 3418 1 7 . 1 1 25 25 LYS CB C 25 34.919 34.919 36.301 -1.382 25576 3419 1 7 . 1 1 25 25 LYS H H 25 8.621 8.621 8.596 0.025 25576 3420 1 7 . 1 1 26 26 VAL N N 26 124.130 124.130 124.932 -0.802 25576 3421 1 7 . 1 1 26 26 VAL HA H 26 5.043 5.043 4.719 0.324 25576 3422 1 7 . 1 1 26 26 VAL C C 26 176.195 176.195 174.590 1.605 25576 3423 1 7 . 1 1 26 26 VAL CA C 26 61.193 61.193 60.453 0.740 25576 3424 1 7 . 1 1 26 26 VAL CB C 26 32.270 32.270 35.771 -3.501 25576 3425 1 7 . 1 1 26 26 VAL H H 26 9.113 9.113 8.685 0.428 25576 3426 1 7 . 1 1 27 27 ILE N N 27 128.245 128.245 127.022 1.223 25576 3427 1 7 . 1 1 27 27 ILE HA H 27 5.012 5.012 4.543 0.469 25576 3428 1 7 . 1 1 27 27 ILE C C 27 175.976 175.976 175.241 0.735 25576 3429 1 7 . 1 1 27 27 ILE CA C 27 59.910 59.910 58.581 1.329 25576 3430 1 7 . 1 1 27 27 ILE CB C 27 39.851 39.851 37.721 2.130 25576 3431 1 7 . 1 1 27 27 ILE H H 27 9.063 9.063 8.409 0.654 25576 3432 1 7 . 1 1 28 28 GLY N N 28 113.332 113.332 112.347 0.985 25576 3433 1 7 . 1 1 28 28 GLY C C 28 175.505 175.505 175.429 0.076 25576 3434 1 7 . 1 1 28 28 GLY CA C 28 43.958 43.958 43.635 0.323 25576 3435 1 7 . 1 1 28 28 GLY H H 28 8.485 8.485 8.198 0.287 25576 3436 1 7 . 1 1 29 29 GLN N N 29 120.493 120.493 119.601 0.892 25576 3437 1 7 . 1 1 29 29 GLN HA H 29 4.113 4.113 3.985 0.128 25576 3438 1 7 . 1 1 29 29 GLN C C 29 176.003 176.003 176.825 -0.822 25576 3439 1 7 . 1 1 29 29 GLN CA C 29 57.808 57.808 57.822 -0.014 25576 3440 1 7 . 1 1 29 29 GLN CB C 29 28.735 28.735 28.249 0.486 25576 3441 1 7 . 1 1 29 29 GLN H H 29 8.768 8.768 8.859 -0.091 25576 3442 1 7 . 1 1 30 30 ASP N N 30 118.342 118.342 117.171 1.171 25576 3443 1 7 . 1 1 30 30 ASP HA H 30 4.537 4.537 4.564 -0.026 25576 3444 1 7 . 1 1 30 30 ASP C C 30 176.461 176.461 176.068 0.393 25576 3445 1 7 . 1 1 30 30 ASP CA C 30 53.271 53.271 54.005 -0.734 25576 3446 1 7 . 1 1 30 30 ASP CB C 30 39.867 39.867 40.776 -0.909 25576 3447 1 7 . 1 1 30 30 ASP H H 30 8.335 8.335 8.281 0.054 25576 3448 1 7 . 1 1 31 31 SER N N 31 111.069 111.069 112.702 -1.633 25576 3449 1 7 . 1 1 31 31 SER HA H 31 4.044 4.044 4.155 -0.112 25576 3450 1 7 . 1 1 31 31 SER C C 31 173.554 173.554 173.158 0.396 25576 3451 1 7 . 1 1 31 31 SER CA C 31 60.529 60.529 59.039 1.490 25576 3452 1 7 . 1 1 31 31 SER CB C 31 62.268 62.268 62.113 0.155 25576 3453 1 7 . 1 1 31 31 SER H H 31 7.997 7.997 7.948 0.049 25576 3454 1 7 . 1 1 32 32 SER N N 32 117.489 117.489 116.582 0.907 25576 3455 1 7 . 1 1 32 32 SER HA H 32 4.380 4.380 4.433 -0.053 25576 3456 1 7 . 1 1 32 32 SER C C 32 173.550 173.550 174.402 -0.852 25576 3457 1 7 . 1 1 32 32 SER CA C 32 58.590 58.590 58.534 0.056 25576 3458 1 7 . 1 1 32 32 SER CB C 32 64.008 64.008 63.523 0.485 25576 3459 1 7 . 1 1 32 32 SER H H 32 8.081 8.081 7.959 0.122 25576 3460 1 7 . 1 1 33 33 GLU N N 33 121.738 121.738 129.037 -7.299 25576 3461 1 7 . 1 1 33 33 GLU HA H 33 5.131 5.131 5.107 0.024 25576 3462 1 7 . 1 1 33 33 GLU C C 33 175.317 175.317 175.888 -0.571 25576 3463 1 7 . 1 1 33 33 GLU CA C 33 55.212 55.212 55.674 -0.462 25576 3464 1 7 . 1 1 33 33 GLU CB C 33 32.596 32.596 30.391 2.205 25576 3465 1 7 . 1 1 33 33 GLU H H 33 8.616 8.616 8.617 -0.001 25576 3466 1 7 . 1 1 34 34 ILE N N 34 124.389 124.389 125.015 -0.626 25576 3467 1 7 . 1 1 34 34 ILE HA H 34 4.359 4.359 4.499 -0.140 25576 3468 1 7 . 1 1 34 34 ILE C C 34 174.612 174.612 174.987 -0.375 25576 3469 1 7 . 1 1 34 34 ILE CA C 34 60.266 60.266 59.432 0.834 25576 3470 1 7 . 1 1 34 34 ILE CB C 34 40.906 40.906 39.856 1.050 25576 3471 1 7 . 1 1 34 34 ILE H H 34 8.670 8.670 8.739 -0.069 25576 3472 1 7 . 1 1 35 35 HIS N N 35 125.683 125.683 124.871 0.812 25576 3473 1 7 . 1 1 35 35 HIS HA H 35 5.597 5.597 4.985 0.612 25576 3474 1 7 . 1 1 35 35 HIS C C 35 174.902 174.902 174.529 0.373 25576 3475 1 7 . 1 1 35 35 HIS CA C 35 54.765 54.765 54.130 0.635 25576 3476 1 7 . 1 1 35 35 HIS CB C 35 32.411 32.411 32.437 -0.026 25576 3477 1 7 . 1 1 35 35 HIS H H 35 8.699 8.699 8.679 0.020 25576 3478 1 7 . 1 1 36 36 PHE N N 36 119.920 119.920 120.040 -0.120 25576 3479 1 7 . 1 1 36 36 PHE HA H 36 4.949 4.949 5.055 -0.106 25576 3480 1 7 . 1 1 36 36 PHE C C 36 174.000 174.000 173.700 0.300 25576 3481 1 7 . 1 1 36 36 PHE CA C 36 57.003 57.003 55.981 1.022 25576 3482 1 7 . 1 1 36 36 PHE CB C 36 44.431 44.431 41.422 3.009 25576 3483 1 7 . 1 1 36 36 PHE H H 36 9.103 9.103 8.153 0.950 25576 3484 1 7 . 1 1 37 37 LYS N N 37 123.747 123.747 121.900 1.847 25576 3485 1 7 . 1 1 37 37 LYS HA H 37 4.294 4.294 5.131 -0.837 25576 3486 1 7 . 1 1 37 37 LYS C C 37 176.145 176.145 175.375 0.770 25576 3487 1 7 . 1 1 37 37 LYS CA C 37 55.448 55.448 55.452 -0.004 25576 3488 1 7 . 1 1 37 37 LYS CB C 37 33.467 33.467 34.002 -0.535 25576 3489 1 7 . 1 1 37 37 LYS H H 37 8.787 8.787 8.490 0.297 25576 3490 1 7 . 1 1 38 38 VAL N N 38 119.736 119.736 118.882 0.854 25576 3491 1 7 . 1 1 38 38 VAL HA H 38 4.957 4.957 4.515 0.442 25576 3492 1 7 . 1 1 38 38 VAL C C 38 174.245 174.245 174.092 0.153 25576 3493 1 7 . 1 1 38 38 VAL CA C 38 58.935 58.935 59.082 -0.147 25576 3494 1 7 . 1 1 38 38 VAL CB C 38 35.429 35.429 36.081 -0.652 25576 3495 1 7 . 1 1 38 38 VAL H H 38 9.138 9.138 8.796 0.342 25576 3496 1 7 . 1 1 39 39 LYS N N 39 122.359 122.359 120.990 1.369 25576 3497 1 7 . 1 1 39 39 LYS HA H 39 3.837 3.837 4.514 -0.677 25576 3498 1 7 . 1 1 39 39 LYS C C 39 179.383 179.383 177.733 1.650 25576 3499 1 7 . 1 1 39 39 LYS CA C 39 56.814 56.814 56.060 0.754 25576 3500 1 7 . 1 1 39 39 LYS CB C 39 30.576 30.576 34.055 -3.479 25576 3501 1 7 . 1 1 39 39 LYS H H 39 8.611 8.611 8.404 0.207 25576 3502 1 7 . 1 1 40 40 MET N N 40 119.929 119.929 120.219 -0.290 25576 3503 1 7 . 1 1 40 40 MET HA H 40 4.103 4.103 4.362 -0.259 25576 3504 1 7 . 1 1 40 40 MET C C 40 176.546 176.546 177.089 -0.543 25576 3505 1 7 . 1 1 40 40 MET CA C 40 57.320 57.320 58.795 -1.475 25576 3506 1 7 . 1 1 40 40 MET CB C 40 30.903 30.903 32.751 -1.848 25576 3507 1 7 . 1 1 40 40 MET H H 40 8.562 8.562 9.182 -0.620 25576 3508 1 7 . 1 1 41 41 THR N N 41 100.263 100.263 109.664 -9.401 25576 3509 1 7 . 1 1 41 41 THR HA H 41 4.349 4.349 4.310 0.039 25576 3510 1 7 . 1 1 41 41 THR C C 41 174.506 174.506 174.466 0.040 25576 3511 1 7 . 1 1 41 41 THR CA C 41 60.147 60.147 61.637 -1.490 25576 3512 1 7 . 1 1 41 41 THR CB C 41 68.836 68.836 68.303 0.533 25576 3513 1 7 . 1 1 41 41 THR H H 41 6.974 6.974 8.016 -1.042 25576 3514 1 7 . 1 1 42 42 THR N N 42 120.616 120.616 116.097 4.519 25576 3515 1 7 . 1 1 42 42 THR HA H 42 4.187 4.187 4.337 -0.150 25576 3516 1 7 . 1 1 42 42 THR C C 42 174.052 174.052 172.662 1.390 25576 3517 1 7 . 1 1 42 42 THR CA C 42 63.153 63.153 60.517 2.636 25576 3518 1 7 . 1 1 42 42 THR CB C 42 69.645 69.645 71.264 -1.619 25576 3519 1 7 . 1 1 42 42 THR H H 42 7.192 7.192 7.215 -0.023 25576 3520 1 7 . 1 1 43 43 HIS N N 43 126.236 126.236 120.208 6.028 25576 3521 1 7 . 1 1 43 43 HIS HA H 43 4.411 4.411 4.675 -0.264 25576 3522 1 7 . 1 1 43 43 HIS C C 43 178.431 178.431 176.312 2.119 25576 3523 1 7 . 1 1 43 43 HIS CA C 43 57.366 57.366 55.307 2.059 25576 3524 1 7 . 1 1 43 43 HIS CB C 43 30.155 30.155 31.123 -0.968 25576 3525 1 7 . 1 1 43 43 HIS H H 43 8.807 8.807 8.434 0.373 25576 3526 1 7 . 1 1 44 44 LEU N N 44 124.757 124.757 124.617 0.140 25576 3527 1 7 . 1 1 44 44 LEU HA H 44 3.983 3.983 4.067 -0.084 25576 3528 1 7 . 1 1 44 44 LEU C C 44 177.051 177.051 178.103 -1.052 25576 3529 1 7 . 1 1 44 44 LEU CA C 44 58.790 58.790 56.410 2.380 25576 3530 1 7 . 1 1 44 44 LEU CB C 44 41.240 41.240 40.839 0.401 25576 3531 1 7 . 1 1 44 44 LEU H H 44 9.349 9.349 9.092 0.257 25576 3532 1 7 . 1 1 45 45 LYS N N 45 121.424 121.424 119.174 2.250 25576 3533 1 7 . 1 1 45 45 LYS HA H 45 3.584 3.584 3.989 -0.405 25576 3534 1 7 . 1 1 45 45 LYS C C 45 176.867 176.867 178.720 -1.853 25576 3535 1 7 . 1 1 45 45 LYS CA C 45 60.662 60.662 59.164 1.498 25576 3536 1 7 . 1 1 45 45 LYS CB C 45 33.389 33.389 31.301 2.088 25576 3537 1 7 . 1 1 45 45 LYS H H 45 8.543 8.543 7.675 0.868 25576 3538 1 7 . 1 1 46 46 LYS N N 46 114.033 114.033 119.313 -5.280 25576 3539 1 7 . 1 1 46 46 LYS HA H 46 4.087 4.087 3.995 0.092 25576 3540 1 7 . 1 1 46 46 LYS C C 46 178.977 178.977 178.449 0.528 25576 3541 1 7 . 1 1 46 46 LYS CA C 46 58.615 58.615 59.249 -0.634 25576 3542 1 7 . 1 1 46 46 LYS CB C 46 31.643 31.643 32.161 -0.518 25576 3543 1 7 . 1 1 46 46 LYS H H 46 7.517 7.517 7.396 0.121 25576 3544 1 7 . 1 1 47 47 LEU N N 47 121.871 121.871 121.724 0.147 25576 3545 1 7 . 1 1 47 47 LEU HA H 47 3.660 3.660 3.649 0.011 25576 3546 1 7 . 1 1 47 47 LEU C C 47 177.575 177.575 178.138 -0.563 25576 3547 1 7 . 1 1 47 47 LEU CA C 47 58.514 58.514 58.310 0.203 25576 3548 1 7 . 1 1 47 47 LEU CB C 47 41.890 41.890 41.748 0.142 25576 3549 1 7 . 1 1 47 47 LEU H H 47 6.739 6.739 7.619 -0.880 25576 3550 1 7 . 1 1 48 48 LYS N N 48 118.246 118.246 118.265 -0.019 25576 3551 1 7 . 1 1 48 48 LYS HA H 48 3.081 3.081 4.099 -1.018 25576 3552 1 7 . 1 1 48 48 LYS C C 48 178.700 178.700 178.828 -0.128 25576 3553 1 7 . 1 1 48 48 LYS CA C 48 59.712 59.712 60.399 -0.687 25576 3554 1 7 . 1 1 48 48 LYS CB C 48 32.411 32.411 31.981 0.430 25576 3555 1 7 . 1 1 48 48 LYS H H 48 7.556 7.556 8.521 -0.965 25576 3556 1 7 . 1 1 49 49 GLU N N 49 118.092 118.092 118.423 -0.331 25576 3557 1 7 . 1 1 49 49 GLU HA H 49 3.973 3.973 3.965 0.008 25576 3558 1 7 . 1 1 49 49 GLU C C 49 179.453 179.453 178.857 0.596 25576 3559 1 7 . 1 1 49 49 GLU CA C 49 59.627 59.627 58.948 0.679 25576 3560 1 7 . 1 1 49 49 GLU CB C 49 30.120 30.120 28.473 1.647 25576 3561 1 7 . 1 1 49 49 GLU H H 49 8.500 8.500 8.001 0.499 25576 3562 1 7 . 1 1 50 50 SER N N 50 115.646 115.646 117.177 -1.531 25576 3563 1 7 . 1 1 50 50 SER HA H 50 4.260 4.260 4.230 0.030 25576 3564 1 7 . 1 1 50 50 SER C C 50 177.171 177.171 176.644 0.527 25576 3565 1 7 . 1 1 50 50 SER CA C 50 61.947 61.947 61.609 0.338 25576 3566 1 7 . 1 1 50 50 SER CB C 50 63.258 63.258 63.023 0.235 25576 3567 1 7 . 1 1 50 50 SER H H 50 7.966 7.966 8.371 -0.405 25576 3568 1 7 . 1 1 51 51 TYR N N 51 122.610 122.610 120.039 2.571 25576 3569 1 7 . 1 1 51 51 TYR HA H 51 4.026 4.026 4.445 -0.419 25576 3570 1 7 . 1 1 51 51 TYR C C 51 177.374 177.374 177.132 0.242 25576 3571 1 7 . 1 1 51 51 TYR CA C 51 63.608 63.608 59.735 3.873 25576 3572 1 7 . 1 1 51 51 TYR CB C 51 38.618 38.618 37.581 1.037 25576 3573 1 7 . 1 1 51 51 TYR H H 51 8.833 8.833 8.159 0.674 25576 3574 1 7 . 1 1 52 52 CYS N N 52 117.395 117.395 119.701 -2.306 25576 3575 1 7 . 1 1 52 52 CYS HA H 52 3.915 3.915 3.752 0.163 25576 3576 1 7 . 1 1 52 52 CYS C C 52 177.182 177.182 176.938 0.244 25576 3577 1 7 . 1 1 52 52 CYS CA C 52 65.108 65.108 64.263 0.845 25576 3578 1 7 . 1 1 52 52 CYS CB C 52 26.151 26.151 26.843 -0.692 25576 3579 1 7 . 1 1 52 52 CYS H H 52 8.676 8.676 7.556 1.120 25576 3580 1 7 . 1 1 53 53 GLN N N 53 119.196 119.196 118.573 0.623 25576 3581 1 7 . 1 1 53 53 GLN HA H 53 4.109 4.109 4.004 0.105 25576 3582 1 7 . 1 1 53 53 GLN C C 53 179.105 179.105 178.231 0.874 25576 3583 1 7 . 1 1 53 53 GLN CA C 53 58.973 58.973 58.373 0.600 25576 3584 1 7 . 1 1 53 53 GLN CB C 53 28.211 28.211 27.952 0.259 25576 3585 1 7 . 1 1 53 53 GLN H H 53 8.322 8.322 8.082 0.240 25576 3586 1 7 . 1 1 54 54 ARG N N 54 120.139 120.139 118.813 1.326 25576 3587 1 7 . 1 1 54 54 ARG HA H 54 4.018 4.018 4.172 -0.154 25576 3588 1 7 . 1 1 54 54 ARG C C 54 178.300 178.300 178.110 0.190 25576 3589 1 7 . 1 1 54 54 ARG CA C 54 58.552 58.552 58.239 0.313 25576 3590 1 7 . 1 1 54 54 ARG CB C 54 29.669 29.669 29.957 -0.288 25576 3591 1 7 . 1 1 54 54 ARG H H 54 8.011 8.011 7.760 0.251 25576 3592 1 7 . 1 1 55 55 GLN N N 55 114.160 114.160 116.500 -2.340 25576 3593 1 7 . 1 1 55 55 GLN HA H 55 4.251 4.251 4.385 -0.134 25576 3594 1 7 . 1 1 55 55 GLN C C 55 176.410 176.410 176.926 -0.516 25576 3595 1 7 . 1 1 55 55 GLN CA C 55 55.119 55.119 56.438 -1.319 25576 3596 1 7 . 1 1 55 55 GLN CB C 55 29.424 29.424 29.738 -0.314 25576 3597 1 7 . 1 1 55 55 GLN H H 55 7.806 7.806 7.521 0.285 25576 3598 1 7 . 1 1 56 56 GLY N N 56 109.749 109.749 108.414 1.335 25576 3599 1 7 . 1 1 56 56 GLY C C 56 174.908 174.908 174.024 0.884 25576 3600 1 7 . 1 1 56 56 GLY CA C 56 46.658 46.658 45.461 1.197 25576 3601 1 7 . 1 1 56 56 GLY H H 56 7.932 7.932 7.866 0.066 25576 3602 1 7 . 1 1 57 57 VAL N N 57 111.990 111.990 116.595 -4.605 25576 3603 1 7 . 1 1 57 57 VAL HA H 57 4.941 4.941 4.711 0.230 25576 3604 1 7 . 1 1 57 57 VAL CA C 57 57.534 57.534 58.639 -1.105 25576 3605 1 7 . 1 1 57 57 VAL CB C 57 32.697 32.697 33.406 -0.709 25576 3606 1 7 . 1 1 57 57 VAL H H 57 7.651 7.651 7.677 -0.026 25576 3607 1 7 . 1 1 58 58 PRO HA H 58 4.528 4.528 4.642 -0.114 25576 3608 1 7 . 1 1 58 58 PRO C C 58 179.169 179.169 177.174 1.995 25576 3609 1 7 . 1 1 58 58 PRO CA C 58 62.211 62.211 62.939 -0.728 25576 3610 1 7 . 1 1 58 58 PRO CB C 58 32.543 32.543 32.581 -0.038 25576 3611 1 7 . 1 1 59 59 MET N N 59 124.522 124.522 119.054 5.468 25576 3612 1 7 . 1 1 59 59 MET HA H 59 4.703 4.703 4.232 0.471 25576 3613 1 7 . 1 1 59 59 MET C C 59 177.459 177.459 176.119 1.340 25576 3614 1 7 . 1 1 59 59 MET CA C 59 58.247 58.247 57.870 0.377 25576 3615 1 7 . 1 1 59 59 MET CB C 59 32.795 32.795 32.505 0.290 25576 3616 1 7 . 1 1 59 59 MET H H 59 9.002 9.002 8.536 0.466 25576 3617 1 7 . 1 1 60 60 ASN N N 60 113.185 113.185 111.906 1.279 25576 3618 1 7 . 1 1 60 60 ASN HA H 60 4.673 4.673 4.631 0.042 25576 3619 1 7 . 1 1 60 60 ASN C C 60 175.674 175.674 175.757 -0.083 25576 3620 1 7 . 1 1 60 60 ASN CA C 60 53.935 53.935 54.063 -0.128 25576 3621 1 7 . 1 1 60 60 ASN CB C 60 37.217 37.217 38.336 -1.119 25576 3622 1 7 . 1 1 60 60 ASN H H 60 8.424 8.424 8.141 0.283 25576 3623 1 7 . 1 1 61 61 SER N N 61 113.092 113.092 114.618 -1.526 25576 3624 1 7 . 1 1 61 61 SER HA H 61 4.500 4.500 4.611 -0.111 25576 3625 1 7 . 1 1 61 61 SER C C 61 173.455 173.455 173.276 0.179 25576 3626 1 7 . 1 1 61 61 SER CA C 61 59.609 59.609 59.840 -0.231 25576 3627 1 7 . 1 1 61 61 SER CB C 61 64.812 64.812 64.824 -0.012 25576 3628 1 7 . 1 1 61 61 SER H H 61 7.931 7.931 7.678 0.253 25576 3629 1 7 . 1 1 62 62 LEU N N 62 120.961 120.961 117.401 3.560 25576 3630 1 7 . 1 1 62 62 LEU HA H 62 5.109 5.109 4.975 0.134 25576 3631 1 7 . 1 1 62 62 LEU C C 62 175.588 175.588 175.482 0.106 25576 3632 1 7 . 1 1 62 62 LEU CA C 62 53.575 53.575 52.867 0.708 25576 3633 1 7 . 1 1 62 62 LEU CB C 62 46.262 46.262 44.776 1.486 25576 3634 1 7 . 1 1 62 62 LEU H H 62 7.265 7.265 7.139 0.126 25576 3635 1 7 . 1 1 63 63 ARG N N 63 120.142 120.142 119.911 0.231 25576 3636 1 7 . 1 1 63 63 ARG HA H 63 4.668 4.668 4.396 0.272 25576 3637 1 7 . 1 1 63 63 ARG C C 63 172.784 172.784 175.064 -2.280 25576 3638 1 7 . 1 1 63 63 ARG CA C 63 54.488 54.488 54.135 0.353 25576 3639 1 7 . 1 1 63 63 ARG CB C 63 33.111 33.111 31.445 1.666 25576 3640 1 7 . 1 1 63 63 ARG H H 63 8.993 8.993 8.914 0.079 25576 3641 1 7 . 1 1 64 64 PHE N N 64 122.537 122.537 122.656 -0.119 25576 3642 1 7 . 1 1 64 64 PHE HA H 64 4.959 4.959 5.475 -0.516 25576 3643 1 7 . 1 1 64 64 PHE C C 64 174.150 174.150 174.352 -0.202 25576 3644 1 7 . 1 1 64 64 PHE CA C 64 56.347 56.347 54.782 1.565 25576 3645 1 7 . 1 1 64 64 PHE CB C 64 40.762 40.762 39.321 1.441 25576 3646 1 7 . 1 1 64 64 PHE H H 64 8.923 8.923 8.070 0.853 25576 3647 1 7 . 1 1 65 65 LEU N N 65 124.212 124.212 120.182 4.030 25576 3648 1 7 . 1 1 65 65 LEU HA H 65 5.290 5.290 5.734 -0.444 25576 3649 1 7 . 1 1 65 65 LEU C C 65 175.903 175.903 174.407 1.496 25576 3650 1 7 . 1 1 65 65 LEU CA C 65 53.729 53.729 53.499 0.230 25576 3651 1 7 . 1 1 65 65 LEU CB C 65 46.385 46.385 46.263 0.122 25576 3652 1 7 . 1 1 65 65 LEU H H 65 9.738 9.738 9.174 0.564 25576 3653 1 7 . 1 1 66 66 PHE N N 66 119.384 119.384 121.576 -2.192 25576 3654 1 7 . 1 1 66 66 PHE HA H 66 5.202 5.202 4.996 0.206 25576 3655 1 7 . 1 1 66 66 PHE C C 66 175.017 175.017 174.767 0.250 25576 3656 1 7 . 1 1 66 66 PHE CA C 66 56.291 56.291 57.309 -1.018 25576 3657 1 7 . 1 1 66 66 PHE CB C 66 41.700 41.700 42.726 -1.026 25576 3658 1 7 . 1 1 66 66 PHE H H 66 8.968 8.968 9.050 -0.082 25576 3659 1 7 . 1 1 67 67 GLU N N 67 129.196 129.196 124.664 4.532 25576 3660 1 7 . 1 1 67 67 GLU HA H 67 3.540 3.540 3.603 -0.063 25576 3661 1 7 . 1 1 67 67 GLU C C 67 176.778 176.778 176.149 0.629 25576 3662 1 7 . 1 1 67 67 GLU CA C 67 56.769 56.769 56.826 -0.057 25576 3663 1 7 . 1 1 67 67 GLU CB C 67 26.897 26.897 27.402 -0.505 25576 3664 1 7 . 1 1 67 67 GLU H H 67 9.381 9.381 8.760 0.621 25576 3665 1 7 . 1 1 68 68 GLY N N 68 103.263 103.263 105.282 -2.019 25576 3666 1 7 . 1 1 68 68 GLY C C 68 173.651 173.651 173.160 0.491 25576 3667 1 7 . 1 1 68 68 GLY CA C 68 45.476 45.476 44.903 0.573 25576 3668 1 7 . 1 1 68 68 GLY H H 68 8.858 8.858 8.258 0.600 25576 3669 1 7 . 1 1 69 69 GLN N N 69 120.732 120.732 118.534 2.198 25576 3670 1 7 . 1 1 69 69 GLN HA H 69 4.589 4.589 4.704 -0.115 25576 3671 1 7 . 1 1 69 69 GLN C C 69 175.204 175.204 174.570 0.634 25576 3672 1 7 . 1 1 69 69 GLN CA C 69 53.776 53.776 54.174 -0.398 25576 3673 1 7 . 1 1 69 69 GLN CB C 69 30.660 30.660 31.990 -1.330 25576 3674 1 7 . 1 1 69 69 GLN H H 69 7.996 7.996 8.082 -0.086 25576 3675 1 7 . 1 1 70 70 ARG N N 70 125.102 125.102 124.887 0.215 25576 3676 1 7 . 1 1 70 70 ARG HA H 70 4.395 4.395 4.734 -0.339 25576 3677 1 7 . 1 1 70 70 ARG C C 70 177.004 177.004 175.441 1.563 25576 3678 1 7 . 1 1 70 70 ARG CA C 70 57.305 57.305 55.628 1.677 25576 3679 1 7 . 1 1 70 70 ARG CB C 70 30.511 30.511 31.009 -0.498 25576 3680 1 7 . 1 1 70 70 ARG H H 70 8.823 8.823 8.753 0.070 25576 3681 1 7 . 1 1 71 71 ILE N N 71 126.949 126.949 123.039 3.910 25576 3682 1 7 . 1 1 71 71 ILE HA H 71 4.477 4.477 4.532 -0.055 25576 3683 1 7 . 1 1 71 71 ILE C C 71 176.145 176.145 175.009 1.136 25576 3684 1 7 . 1 1 71 71 ILE CA C 71 61.337 61.337 59.373 1.964 25576 3685 1 7 . 1 1 71 71 ILE CB C 71 39.067 39.067 36.292 2.775 25576 3686 1 7 . 1 1 71 71 ILE H H 71 9.020 9.020 8.724 0.296 25576 3687 1 7 . 1 1 72 72 ALA N N 72 139.307 139.307 130.502 8.805 25576 3688 1 7 . 1 1 72 72 ALA HA H 72 4.334 4.334 4.280 0.054 25576 3689 1 7 . 1 1 72 72 ALA C C 72 177.973 177.973 178.278 -0.305 25576 3690 1 7 . 1 1 72 72 ALA CA C 72 50.785 50.785 50.302 0.483 25576 3691 1 7 . 1 1 72 72 ALA CB C 72 18.407 18.407 20.191 -1.784 25576 3692 1 7 . 1 1 72 72 ALA H H 72 10.910 10.910 8.000 2.910 25576 3693 1 7 . 1 1 73 73 ASP N N 73 120.493 120.493 119.249 1.244 25576 3694 1 7 . 1 1 73 73 ASP HA H 73 3.823 3.823 4.277 -0.454 25576 3695 1 7 . 1 1 73 73 ASP C C 73 176.104 176.104 176.525 -0.421 25576 3696 1 7 . 1 1 73 73 ASP CA C 73 57.113 57.113 56.827 0.286 25576 3697 1 7 . 1 1 73 73 ASP CB C 73 40.032 40.032 40.761 -0.729 25576 3698 1 7 . 1 1 73 73 ASP H H 73 8.770 8.770 8.623 0.147 25576 3699 1 7 . 1 1 74 74 ASN N N 74 109.526 109.526 114.627 -5.101 25576 3700 1 7 . 1 1 74 74 ASN HA H 74 4.245 4.245 4.136 0.109 25576 3701 1 7 . 1 1 74 74 ASN C C 74 176.050 176.050 174.665 1.385 25576 3702 1 7 . 1 1 74 74 ASN CA C 74 52.073 52.073 52.508 -0.435 25576 3703 1 7 . 1 1 74 74 ASN CB C 74 37.343 37.343 38.593 -1.250 25576 3704 1 7 . 1 1 74 74 ASN H H 74 7.738 7.738 8.163 -0.425 25576 3705 1 7 . 1 1 75 75 HIS N N 75 119.821 119.821 120.746 -0.925 25576 3706 1 7 . 1 1 75 75 HIS HA H 75 4.908 4.908 4.627 0.281 25576 3707 1 7 . 1 1 75 75 HIS C C 75 175.680 175.680 174.144 1.536 25576 3708 1 7 . 1 1 75 75 HIS CA C 75 56.606 56.606 55.873 0.733 25576 3709 1 7 . 1 1 75 75 HIS CB C 75 33.549 33.549 31.165 2.384 25576 3710 1 7 . 1 1 75 75 HIS H H 75 7.149 7.149 7.512 -0.363 25576 3711 1 7 . 1 1 76 76 THR N N 76 108.304 108.304 114.760 -6.456 25576 3712 1 7 . 1 1 76 76 THR HA H 76 5.197 5.197 5.304 -0.107 25576 3713 1 7 . 1 1 76 76 THR CA C 76 57.594 57.594 57.721 -0.126 25576 3714 1 7 . 1 1 76 76 THR CB C 76 70.033 70.033 71.076 -1.043 25576 3715 1 7 . 1 1 76 76 THR H H 76 7.303 7.303 8.340 -1.037 25576 3716 1 7 . 1 1 77 77 PRO HA H 77 4.241 4.241 4.133 0.108 25576 3717 1 7 . 1 1 77 77 PRO C C 77 178.445 178.445 177.946 0.499 25576 3718 1 7 . 1 1 77 77 PRO CA C 77 65.724 65.724 65.224 0.500 25576 3719 1 7 . 1 1 77 77 PRO CB C 77 32.479 32.479 31.871 0.608 25576 3720 1 7 . 1 1 78 78 LYS N N 78 115.329 115.329 116.304 -0.975 25576 3721 1 7 . 1 1 78 78 LYS HA H 78 3.956 3.956 4.070 -0.114 25576 3722 1 7 . 1 1 78 78 LYS C C 78 179.328 179.328 178.828 0.500 25576 3723 1 7 . 1 1 78 78 LYS CA C 78 59.012 59.012 59.123 -0.111 25576 3724 1 7 . 1 1 78 78 LYS CB C 78 32.845 32.845 31.626 1.219 25576 3725 1 7 . 1 1 78 78 LYS H H 78 8.073 8.073 7.590 0.483 25576 3726 1 7 . 1 1 79 79 GLU N N 79 120.840 120.840 119.459 1.381 25576 3727 1 7 . 1 1 79 79 GLU HA H 79 3.957 3.957 4.136 -0.179 25576 3728 1 7 . 1 1 79 79 GLU C C 79 178.566 178.566 178.397 0.169 25576 3729 1 7 . 1 1 79 79 GLU CA C 79 58.790 58.790 58.485 0.305 25576 3730 1 7 . 1 1 79 79 GLU CB C 79 30.290 30.290 29.552 0.738 25576 3731 1 7 . 1 1 79 79 GLU H H 79 7.978 7.978 7.602 0.376 25576 3732 1 7 . 1 1 80 80 LEU N N 80 115.072 115.072 117.633 -2.561 25576 3733 1 7 . 1 1 80 80 LEU HA H 80 4.222 4.222 4.374 -0.152 25576 3734 1 7 . 1 1 80 80 LEU C C 80 176.602 176.602 177.423 -0.821 25576 3735 1 7 . 1 1 80 80 LEU CA C 80 54.613 54.613 54.908 -0.295 25576 3736 1 7 . 1 1 80 80 LEU CB C 80 42.453 42.453 41.815 0.638 25576 3737 1 7 . 1 1 80 80 LEU H H 80 7.486 7.486 7.930 -0.444 25576 3738 1 7 . 1 1 81 81 GLY N N 81 108.019 108.019 107.008 1.011 25576 3739 1 7 . 1 1 81 81 GLY C C 81 175.390 175.390 174.337 1.053 25576 3740 1 7 . 1 1 81 81 GLY CA C 81 46.622 46.622 45.348 1.274 25576 3741 1 7 . 1 1 81 81 GLY H H 81 7.644 7.644 7.403 0.241 25576 3742 1 7 . 1 1 82 82 MET N N 82 117.606 117.606 118.633 -1.027 25576 3743 1 7 . 1 1 82 82 MET HA H 82 4.185 4.185 5.104 -0.919 25576 3744 1 7 . 1 1 82 82 MET C C 82 174.482 174.482 175.339 -0.857 25576 3745 1 7 . 1 1 82 82 MET CA C 82 57.019 57.019 55.194 1.825 25576 3746 1 7 . 1 1 82 82 MET CB C 82 34.089 34.089 35.332 -1.243 25576 3747 1 7 . 1 1 82 82 MET H H 82 7.628 7.628 8.149 -0.521 25576 3748 1 7 . 1 1 83 83 GLU N N 83 120.980 120.980 117.989 2.991 25576 3749 1 7 . 1 1 83 83 GLU HA H 83 4.457 4.457 4.781 -0.324 25576 3750 1 7 . 1 1 83 83 GLU C C 83 174.297 174.297 175.523 -1.226 25576 3751 1 7 . 1 1 83 83 GLU CA C 83 53.875 53.875 54.208 -0.333 25576 3752 1 7 . 1 1 83 83 GLU CB C 83 33.937 33.937 32.301 1.636 25576 3753 1 7 . 1 1 83 83 GLU H H 83 9.314 9.314 8.166 1.148 25576 3754 1 7 . 1 1 84 84 GLU N N 84 119.063 119.063 120.506 -1.443 25576 3755 1 7 . 1 1 84 84 GLU HA H 84 4.199 4.199 4.158 0.041 25576 3756 1 7 . 1 1 84 84 GLU C C 84 177.527 177.527 176.481 1.046 25576 3757 1 7 . 1 1 84 84 GLU CA C 84 58.549 58.549 57.085 1.464 25576 3758 1 7 . 1 1 84 84 GLU CB C 84 29.993 29.993 29.371 0.622 25576 3759 1 7 . 1 1 84 84 GLU H H 84 8.341 8.341 8.537 -0.196 25576 3760 1 7 . 1 1 85 85 GLU N N 85 118.840 118.840 117.352 1.488 25576 3761 1 7 . 1 1 85 85 GLU HA H 85 3.645 3.645 3.902 -0.257 25576 3762 1 7 . 1 1 85 85 GLU C C 85 175.047 175.047 175.635 -0.588 25576 3763 1 7 . 1 1 85 85 GLU CA C 85 58.846 58.846 58.157 0.689 25576 3764 1 7 . 1 1 85 85 GLU CB C 85 26.691 26.691 28.371 -1.680 25576 3765 1 7 . 1 1 85 85 GLU H H 85 9.357 9.357 9.066 0.291 25576 3766 1 7 . 1 1 86 86 ASP N N 86 120.217 120.217 120.475 -0.258 25576 3767 1 7 . 1 1 86 86 ASP HA H 86 4.880 4.880 4.547 0.333 25576 3768 1 7 . 1 1 86 86 ASP C C 86 174.417 174.417 174.666 -0.249 25576 3769 1 7 . 1 1 86 86 ASP CA C 86 55.822 55.822 55.394 0.428 25576 3770 1 7 . 1 1 86 86 ASP CB C 86 41.926 41.926 42.179 -0.254 25576 3771 1 7 . 1 1 86 86 ASP H H 86 8.155 8.155 7.664 0.491 25576 3772 1 7 . 1 1 87 87 VAL N N 87 116.641 116.641 120.755 -4.114 25576 3773 1 7 . 1 1 87 87 VAL HA H 87 4.924 4.924 5.153 -0.229 25576 3774 1 7 . 1 1 87 87 VAL C C 87 176.064 176.064 174.682 1.382 25576 3775 1 7 . 1 1 87 87 VAL CA C 87 61.311 61.311 60.138 1.173 25576 3776 1 7 . 1 1 87 87 VAL CB C 87 35.067 35.067 34.955 0.112 25576 3777 1 7 . 1 1 87 87 VAL H H 87 8.191 8.191 8.243 -0.052 25576 3778 1 7 . 1 1 88 88 ILE N N 88 127.353 127.353 125.988 1.365 25576 3779 1 7 . 1 1 88 88 ILE HA H 88 4.845 4.845 4.649 0.196 25576 3780 1 7 . 1 1 88 88 ILE C C 88 174.967 174.967 173.895 1.072 25576 3781 1 7 . 1 1 88 88 ILE CA C 88 59.381 59.381 59.817 -0.436 25576 3782 1 7 . 1 1 88 88 ILE CB C 88 40.984 40.984 41.133 -0.149 25576 3783 1 7 . 1 1 88 88 ILE H H 88 9.165 9.165 9.045 0.120 25576 3784 1 7 . 1 1 89 89 GLU N N 89 125.851 125.851 123.257 2.594 25576 3785 1 7 . 1 1 89 89 GLU HA H 89 4.820 4.820 4.727 0.093 25576 3786 1 7 . 1 1 89 89 GLU C C 89 175.262 175.262 174.857 0.405 25576 3787 1 7 . 1 1 89 89 GLU CA C 89 55.158 55.158 54.674 0.484 25576 3788 1 7 . 1 1 89 89 GLU CB C 89 33.359 33.359 32.319 1.040 25576 3789 1 7 . 1 1 89 89 GLU H H 89 8.858 8.858 8.560 0.298 25576 3790 1 7 . 1 1 90 90 VAL N N 90 119.735 119.735 125.645 -5.910 25576 3791 1 7 . 1 1 90 90 VAL HA H 90 4.817 4.817 5.426 -0.609 25576 3792 1 7 . 1 1 90 90 VAL C C 90 174.870 174.870 174.583 0.287 25576 3793 1 7 . 1 1 90 90 VAL CA C 90 59.412 59.412 60.428 -1.016 25576 3794 1 7 . 1 1 90 90 VAL CB C 90 34.031 34.031 34.703 -0.672 25576 3795 1 7 . 1 1 90 90 VAL H H 90 7.770 7.770 8.082 -0.312 25576 3796 1 7 . 1 1 91 91 TYR N N 91 124.243 124.243 124.808 -0.565 25576 3797 1 7 . 1 1 91 91 TYR HA H 91 4.621 4.621 4.728 -0.107 25576 3798 1 7 . 1 1 91 91 TYR C C 91 174.588 174.588 174.425 0.163 25576 3799 1 7 . 1 1 91 91 TYR CA C 91 56.018 56.018 57.079 -1.061 25576 3800 1 7 . 1 1 91 91 TYR CB C 91 42.641 42.641 42.142 0.499 25576 3801 1 7 . 1 1 91 91 TYR H H 91 8.540 8.540 9.186 -0.646 25576 3802 1 7 . 1 1 92 92 GLN N N 92 120.784 120.784 120.747 0.037 25576 3803 1 7 . 1 1 92 92 GLN HA H 92 4.529 4.529 4.566 -0.037 25576 3804 1 7 . 1 1 92 92 GLN C C 92 176.679 176.679 175.578 1.101 25576 3805 1 7 . 1 1 92 92 GLN CA C 92 56.135 56.135 55.167 0.968 25576 3806 1 7 . 1 1 92 92 GLN CB C 92 29.342 29.342 29.832 -0.490 25576 3807 1 7 . 1 1 92 92 GLN H H 92 8.726 8.726 8.789 -0.063 25576 3808 1 7 . 1 1 93 93 GLU N N 93 125.131 125.131 124.877 0.254 25576 3809 1 7 . 1 1 93 93 GLU HA H 93 4.364 4.364 4.525 -0.161 25576 3810 1 7 . 1 1 93 93 GLU C C 93 176.244 176.244 176.459 -0.215 25576 3811 1 7 . 1 1 93 93 GLU CA C 93 56.111 56.111 55.749 0.362 25576 3812 1 7 . 1 1 93 93 GLU CB C 93 30.517 30.517 30.108 0.409 25576 3813 1 7 . 1 1 93 93 GLU H H 93 8.419 8.419 8.930 -0.511 25576 3814 1 7 . 1 1 94 94 GLN N N 94 122.912 122.912 119.700 3.212 25576 3815 1 7 . 1 1 94 94 GLN HA H 94 4.439 4.439 4.203 0.236 25576 3816 1 7 . 1 1 94 94 GLN C C 94 176.135 176.135 176.377 -0.242 25576 3817 1 7 . 1 1 94 94 GLN CA C 94 55.585 55.585 56.855 -1.270 25576 3818 1 7 . 1 1 94 94 GLN CB C 94 29.513 29.513 29.414 0.099 25576 3819 1 7 . 1 1 94 94 GLN H H 94 8.780 8.780 8.065 0.715 25576 3820 1 7 . 1 1 95 95 THR N N 95 116.094 116.094 111.041 5.053 25576 3821 1 7 . 1 1 95 95 THR HA H 95 4.294 4.294 4.486 -0.192 25576 3822 1 7 . 1 1 95 95 THR C C 95 175.136 175.136 173.714 1.422 25576 3823 1 7 . 1 1 95 95 THR CA C 95 61.971 61.971 61.309 0.662 25576 3824 1 7 . 1 1 95 95 THR CB C 95 69.829 69.829 69.427 0.403 25576 3825 1 7 . 1 1 95 95 THR H H 95 8.392 8.392 8.033 0.359 25576 3826 1 7 . 1 1 96 96 GLY N N 96 111.858 111.858 110.696 1.162 25576 3827 1 7 . 1 1 96 96 GLY C C 96 173.704 173.704 174.725 -1.021 25576 3828 1 7 . 1 1 96 96 GLY CA C 96 45.424 45.424 45.489 -0.065 25576 3829 1 7 . 1 1 96 96 GLY H H 96 8.508 8.508 9.316 -0.808 25576 3830 1 8 . 1 1 2 2 SER N N 2 116.367 116.367 115.097 1.270 25576 3831 1 8 . 1 1 2 2 SER HA H 2 4.458 4.458 4.559 -0.101 25576 3832 1 8 . 1 1 2 2 SER C C 2 174.579 174.579 174.722 -0.143 25576 3833 1 8 . 1 1 2 2 SER CA C 2 58.539 58.539 58.438 0.102 25576 3834 1 8 . 1 1 2 2 SER CB C 2 63.940 63.940 64.112 -0.172 25576 3835 1 8 . 1 1 2 2 SER H H 2 8.127 8.127 8.034 0.093 25576 3836 1 8 . 1 1 3 3 ASP N N 3 122.355 122.355 121.941 0.414 25576 3837 1 8 . 1 1 3 3 ASP HA H 3 4.566 4.566 4.639 -0.073 25576 3838 1 8 . 1 1 3 3 ASP C C 3 176.445 176.445 175.733 0.712 25576 3839 1 8 . 1 1 3 3 ASP CA C 3 54.819 54.819 55.169 -0.350 25576 3840 1 8 . 1 1 3 3 ASP CB C 3 40.939 40.939 41.293 -0.354 25576 3841 1 8 . 1 1 3 3 ASP H H 3 8.360 8.360 8.591 -0.231 25576 3842 1 8 . 1 1 4 4 GLN N N 4 119.955 119.955 115.189 4.766 25576 3843 1 8 . 1 1 4 4 GLN HA H 4 4.262 4.262 4.425 -0.163 25576 3844 1 8 . 1 1 4 4 GLN C C 4 176.138 176.138 173.964 2.174 25576 3845 1 8 . 1 1 4 4 GLN CA C 4 55.933 55.933 55.237 0.696 25576 3846 1 8 . 1 1 4 4 GLN CB C 4 29.411 29.411 30.405 -0.994 25576 3847 1 8 . 1 1 4 4 GLN H H 4 8.250 8.250 7.510 0.740 25576 3848 1 8 . 1 1 5 5 GLU N N 5 121.392 121.392 119.539 1.853 25576 3849 1 8 . 1 1 5 5 GLU HA H 5 4.203 4.203 4.641 -0.438 25576 3850 1 8 . 1 1 5 5 GLU C C 5 176.137 176.137 175.067 1.070 25576 3851 1 8 . 1 1 5 5 GLU CA C 5 56.480 56.480 55.482 0.998 25576 3852 1 8 . 1 1 5 5 GLU CB C 5 30.261 30.261 31.354 -1.093 25576 3853 1 8 . 1 1 5 5 GLU H H 5 8.292 8.292 8.546 -0.254 25576 3854 1 8 . 1 1 6 6 ALA N N 6 125.339 125.339 123.319 2.020 25576 3855 1 8 . 1 1 6 6 ALA HA H 6 4.261 4.261 4.859 -0.598 25576 3856 1 8 . 1 1 6 6 ALA C C 6 177.348 177.348 175.960 1.388 25576 3857 1 8 . 1 1 6 6 ALA CA C 6 52.319 52.319 51.431 0.888 25576 3858 1 8 . 1 1 6 6 ALA CB C 6 19.120 19.120 20.558 -1.438 25576 3859 1 8 . 1 1 6 6 ALA H H 6 8.253 8.253 8.720 -0.467 25576 3860 1 8 . 1 1 7 7 LYS N N 7 122.299 122.299 123.173 -0.874 25576 3861 1 8 . 1 1 7 7 LYS HA H 7 4.573 4.573 4.710 -0.137 25576 3862 1 8 . 1 1 7 7 LYS CA C 7 54.062 54.062 54.911 -0.849 25576 3863 1 8 . 1 1 7 7 LYS CB C 7 32.588 32.588 32.485 0.103 25576 3864 1 8 . 1 1 7 7 LYS H H 7 8.302 8.302 8.360 -0.058 25576 3865 1 8 . 1 1 8 8 PRO HA H 8 4.425 4.425 4.460 -0.035 25576 3866 1 8 . 1 1 8 8 PRO C C 8 177.020 177.020 176.617 0.403 25576 3867 1 8 . 1 1 8 8 PRO CA C 8 63.029 63.029 62.503 0.526 25576 3868 1 8 . 1 1 8 8 PRO CB C 8 32.158 32.158 32.183 -0.025 25576 3869 1 8 . 1 1 9 9 SER N N 9 116.888 116.888 115.022 1.866 25576 3870 1 8 . 1 1 9 9 SER HA H 9 4.479 4.479 4.610 -0.131 25576 3871 1 8 . 1 1 9 9 SER C C 9 174.261 174.261 174.902 -0.641 25576 3872 1 8 . 1 1 9 9 SER CA C 9 58.299 58.299 58.236 0.063 25576 3873 1 8 . 1 1 9 9 SER CB C 9 63.848 63.848 62.530 1.318 25576 3874 1 8 . 1 1 9 9 SER H H 9 8.596 8.596 8.278 0.318 25576 3875 1 8 . 1 1 10 10 THR N N 10 115.838 115.838 118.883 -3.045 25576 3876 1 8 . 1 1 10 10 THR HA H 10 4.334 4.334 3.994 0.340 25576 3877 1 8 . 1 1 10 10 THR C C 10 176.158 176.158 174.780 1.378 25576 3878 1 8 . 1 1 10 10 THR CA C 10 61.966 61.966 64.957 -2.991 25576 3879 1 8 . 1 1 10 10 THR CB C 10 69.581 69.581 69.000 0.581 25576 3880 1 8 . 1 1 10 10 THR H H 10 8.247 8.247 8.072 0.175 25576 3881 1 8 . 1 1 11 11 GLU N N 11 122.975 122.975 121.155 1.820 25576 3882 1 8 . 1 1 11 11 GLU HA H 11 4.237 4.237 4.448 -0.211 25576 3883 1 8 . 1 1 11 11 GLU C C 11 175.920 175.920 175.114 0.806 25576 3884 1 8 . 1 1 11 11 GLU CA C 11 56.779 56.779 55.860 0.919 25576 3885 1 8 . 1 1 11 11 GLU CB C 11 29.869 29.869 30.956 -1.087 25576 3886 1 8 . 1 1 11 11 GLU H H 11 8.355 8.355 8.242 0.113 25576 3887 1 8 . 1 1 12 12 ASP N N 12 122.117 122.117 123.238 -1.121 25576 3888 1 8 . 1 1 12 12 ASP HA H 12 4.562 4.562 4.797 -0.235 25576 3889 1 8 . 1 1 12 12 ASP C C 12 176.402 176.402 175.349 1.053 25576 3890 1 8 . 1 1 12 12 ASP CA C 12 54.224 54.224 53.400 0.824 25576 3891 1 8 . 1 1 12 12 ASP CB C 12 41.161 41.161 42.511 -1.350 25576 3892 1 8 . 1 1 12 12 ASP H H 12 8.411 8.411 8.428 -0.017 25576 3893 1 8 . 1 1 13 13 LEU N N 13 123.695 123.695 122.730 0.965 25576 3894 1 8 . 1 1 13 13 LEU HA H 13 4.306 4.306 4.586 -0.280 25576 3895 1 8 . 1 1 13 13 LEU C C 13 178.231 178.231 177.625 0.606 25576 3896 1 8 . 1 1 13 13 LEU CA C 13 55.384 55.384 54.366 1.018 25576 3897 1 8 . 1 1 13 13 LEU CB C 13 42.132 42.132 43.651 -1.519 25576 3898 1 8 . 1 1 13 13 LEU H H 13 8.391 8.391 8.441 -0.050 25576 3899 1 8 . 1 1 14 14 GLY N N 14 108.928 108.928 109.057 -0.129 25576 3900 1 8 . 1 1 14 14 GLY C C 14 174.014 174.014 174.494 -0.480 25576 3901 1 8 . 1 1 14 14 GLY CA C 14 45.600 45.600 45.834 -0.234 25576 3902 1 8 . 1 1 14 14 GLY H H 14 8.456 8.456 8.653 -0.197 25576 3903 1 8 . 1 1 15 15 ASP N N 15 120.427 120.427 120.988 -0.561 25576 3904 1 8 . 1 1 15 15 ASP HA H 15 4.544 4.544 4.778 -0.234 25576 3905 1 8 . 1 1 15 15 ASP C C 15 176.810 176.810 174.779 2.031 25576 3906 1 8 . 1 1 15 15 ASP CA C 15 54.389 54.389 53.429 0.959 25576 3907 1 8 . 1 1 15 15 ASP CB C 15 41.153 41.153 41.211 -0.058 25576 3908 1 8 . 1 1 15 15 ASP H H 15 8.207 8.207 8.113 0.094 25576 3909 1 8 . 1 1 16 16 LYS N N 16 121.257 121.257 123.912 -2.655 25576 3910 1 8 . 1 1 16 16 LYS HA H 16 4.269 4.269 4.653 -0.384 25576 3911 1 8 . 1 1 16 16 LYS C C 16 176.470 176.470 175.618 0.852 25576 3912 1 8 . 1 1 16 16 LYS CA C 16 56.579 56.579 55.622 0.957 25576 3913 1 8 . 1 1 16 16 LYS CB C 16 29.470 29.470 33.896 -4.426 25576 3914 1 8 . 1 1 16 16 LYS H H 16 8.302 8.302 8.590 -0.288 25576 3915 1 8 . 1 1 17 17 LYS N N 17 122.205 122.205 121.813 0.392 25576 3916 1 8 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.569 -0.302 25576 3917 1 8 . 1 1 17 17 LYS C C 17 176.837 176.837 174.319 2.518 25576 3918 1 8 . 1 1 17 17 LYS CA C 17 56.177 56.177 56.041 0.136 25576 3919 1 8 . 1 1 17 17 LYS CB C 17 32.684 32.684 33.765 -1.081 25576 3920 1 8 . 1 1 17 17 LYS H H 17 8.383 8.383 8.550 -0.167 25576 3921 1 8 . 1 1 18 18 GLU N N 18 121.859 121.859 119.615 2.244 25576 3922 1 8 . 1 1 18 18 GLU HA H 18 4.252 4.252 4.607 -0.355 25576 3923 1 8 . 1 1 18 18 GLU C C 18 176.964 176.964 174.974 1.990 25576 3924 1 8 . 1 1 18 18 GLU CA C 18 57.094 57.094 55.872 1.222 25576 3925 1 8 . 1 1 18 18 GLU CB C 18 30.261 30.261 31.652 -1.391 25576 3926 1 8 . 1 1 18 18 GLU H H 18 8.497 8.497 8.567 -0.070 25576 3927 1 8 . 1 1 19 19 GLY N N 19 109.716 109.716 108.203 1.513 25576 3928 1 8 . 1 1 19 19 GLY C C 19 173.520 173.520 173.332 0.188 25576 3929 1 8 . 1 1 19 19 GLY CA C 19 45.386 45.386 45.408 -0.022 25576 3930 1 8 . 1 1 19 19 GLY H H 19 8.447 8.447 8.292 0.155 25576 3931 1 8 . 1 1 20 20 GLU N N 20 119.640 119.640 116.483 3.157 25576 3932 1 8 . 1 1 20 20 GLU HA H 20 4.255 4.255 3.969 0.286 25576 3933 1 8 . 1 1 20 20 GLU C C 20 175.453 175.453 174.628 0.825 25576 3934 1 8 . 1 1 20 20 GLU CA C 20 56.726 56.726 57.029 -0.303 25576 3935 1 8 . 1 1 20 20 GLU CB C 20 30.806 30.806 28.737 2.069 25576 3936 1 8 . 1 1 20 20 GLU H H 20 8.227 8.227 8.132 0.095 25576 3937 1 8 . 1 1 21 21 TYR N N 21 119.301 119.301 112.874 6.427 25576 3938 1 8 . 1 1 21 21 TYR HA H 21 5.083 5.083 5.389 -0.306 25576 3939 1 8 . 1 1 21 21 TYR C C 21 175.805 175.805 174.519 1.286 25576 3940 1 8 . 1 1 21 21 TYR CA C 21 57.427 57.427 55.291 2.135 25576 3941 1 8 . 1 1 21 21 TYR CB C 21 41.620 41.620 40.601 1.019 25576 3942 1 8 . 1 1 21 21 TYR H H 21 8.367 8.367 6.957 1.410 25576 3943 1 8 . 1 1 22 22 ILE N N 22 116.642 116.642 114.664 1.978 25576 3944 1 8 . 1 1 22 22 ILE HA H 22 4.787 4.787 4.777 0.010 25576 3945 1 8 . 1 1 22 22 ILE C C 22 173.467 173.467 174.311 -0.844 25576 3946 1 8 . 1 1 22 22 ILE CA C 22 59.685 59.685 58.569 1.116 25576 3947 1 8 . 1 1 22 22 ILE CB C 22 42.383 42.383 41.448 0.935 25576 3948 1 8 . 1 1 22 22 ILE H H 22 9.151 9.151 8.951 0.200 25576 3949 1 8 . 1 1 23 23 LYS N N 23 124.306 124.306 120.246 4.060 25576 3950 1 8 . 1 1 23 23 LYS HA H 23 5.289 5.289 5.154 0.135 25576 3951 1 8 . 1 1 23 23 LYS C C 23 175.553 175.553 175.993 -0.440 25576 3952 1 8 . 1 1 23 23 LYS CA C 23 55.629 55.629 55.689 -0.060 25576 3953 1 8 . 1 1 23 23 LYS CB C 23 33.744 33.744 34.909 -1.165 25576 3954 1 8 . 1 1 23 23 LYS H H 23 8.623 8.623 8.321 0.302 25576 3955 1 8 . 1 1 24 24 LEU N N 24 124.177 124.177 121.590 2.587 25576 3956 1 8 . 1 1 24 24 LEU HA H 24 4.974 4.974 5.100 -0.126 25576 3957 1 8 . 1 1 24 24 LEU C C 24 175.910 175.910 174.387 1.523 25576 3958 1 8 . 1 1 24 24 LEU CA C 24 52.835 52.835 54.133 -1.298 25576 3959 1 8 . 1 1 24 24 LEU CB C 24 46.661 46.661 47.316 -0.655 25576 3960 1 8 . 1 1 24 24 LEU H H 24 8.940 8.940 9.257 -0.317 25576 3961 1 8 . 1 1 25 25 LYS N N 25 120.635 120.635 120.330 0.305 25576 3962 1 8 . 1 1 25 25 LYS HA H 25 4.714 4.714 4.757 -0.043 25576 3963 1 8 . 1 1 25 25 LYS C C 25 174.125 174.125 174.045 0.080 25576 3964 1 8 . 1 1 25 25 LYS CA C 25 55.122 55.122 53.623 1.500 25576 3965 1 8 . 1 1 25 25 LYS CB C 25 34.919 34.919 36.501 -1.581 25576 3966 1 8 . 1 1 25 25 LYS H H 25 8.621 8.621 8.529 0.092 25576 3967 1 8 . 1 1 26 26 VAL N N 26 124.130 124.130 124.772 -0.642 25576 3968 1 8 . 1 1 26 26 VAL HA H 26 5.043 5.043 4.669 0.374 25576 3969 1 8 . 1 1 26 26 VAL C C 26 176.195 176.195 174.301 1.894 25576 3970 1 8 . 1 1 26 26 VAL CA C 26 61.193 61.193 60.500 0.693 25576 3971 1 8 . 1 1 26 26 VAL CB C 26 32.270 32.270 35.777 -3.507 25576 3972 1 8 . 1 1 26 26 VAL H H 26 9.113 9.113 8.688 0.425 25576 3973 1 8 . 1 1 27 27 ILE N N 27 128.245 128.245 126.867 1.378 25576 3974 1 8 . 1 1 27 27 ILE HA H 27 5.012 5.012 4.461 0.551 25576 3975 1 8 . 1 1 27 27 ILE C C 27 175.976 175.976 175.034 0.942 25576 3976 1 8 . 1 1 27 27 ILE CA C 27 59.910 59.910 58.560 1.350 25576 3977 1 8 . 1 1 27 27 ILE CB C 27 39.851 39.851 37.547 2.304 25576 3978 1 8 . 1 1 27 27 ILE H H 27 9.063 9.063 8.294 0.769 25576 3979 1 8 . 1 1 28 28 GLY N N 28 113.332 113.332 112.519 0.813 25576 3980 1 8 . 1 1 28 28 GLY C C 28 175.505 175.505 175.517 -0.012 25576 3981 1 8 . 1 1 28 28 GLY CA C 28 43.958 43.958 43.622 0.336 25576 3982 1 8 . 1 1 28 28 GLY H H 28 8.485 8.485 7.981 0.504 25576 3983 1 8 . 1 1 29 29 GLN N N 29 120.493 120.493 118.908 1.585 25576 3984 1 8 . 1 1 29 29 GLN HA H 29 4.113 4.113 3.974 0.139 25576 3985 1 8 . 1 1 29 29 GLN C C 29 176.003 176.003 176.584 -0.581 25576 3986 1 8 . 1 1 29 29 GLN CA C 29 57.808 57.808 57.922 -0.115 25576 3987 1 8 . 1 1 29 29 GLN CB C 29 28.735 28.735 28.381 0.354 25576 3988 1 8 . 1 1 29 29 GLN H H 29 8.768 8.768 8.837 -0.069 25576 3989 1 8 . 1 1 30 30 ASP N N 30 118.342 118.342 117.972 0.370 25576 3990 1 8 . 1 1 30 30 ASP HA H 30 4.537 4.537 4.687 -0.150 25576 3991 1 8 . 1 1 30 30 ASP C C 30 176.461 176.461 175.764 0.697 25576 3992 1 8 . 1 1 30 30 ASP CA C 30 53.271 53.271 53.640 -0.369 25576 3993 1 8 . 1 1 30 30 ASP CB C 30 39.867 39.867 40.964 -1.097 25576 3994 1 8 . 1 1 30 30 ASP H H 30 8.335 8.335 7.956 0.379 25576 3995 1 8 . 1 1 31 31 SER N N 31 111.069 111.069 113.122 -2.053 25576 3996 1 8 . 1 1 31 31 SER HA H 31 4.044 4.044 4.183 -0.139 25576 3997 1 8 . 1 1 31 31 SER C C 31 173.554 173.554 173.268 0.286 25576 3998 1 8 . 1 1 31 31 SER CA C 31 60.529 60.529 58.779 1.750 25576 3999 1 8 . 1 1 31 31 SER CB C 31 62.268 62.268 62.115 0.153 25576 4000 1 8 . 1 1 31 31 SER H H 31 7.997 7.997 8.108 -0.111 25576 4001 1 8 . 1 1 32 32 SER N N 32 117.489 117.489 116.399 1.090 25576 4002 1 8 . 1 1 32 32 SER HA H 32 4.380 4.380 4.384 -0.004 25576 4003 1 8 . 1 1 32 32 SER C C 32 173.550 173.550 174.319 -0.769 25576 4004 1 8 . 1 1 32 32 SER CA C 32 58.590 58.590 59.035 -0.445 25576 4005 1 8 . 1 1 32 32 SER CB C 32 64.008 64.008 62.592 1.416 25576 4006 1 8 . 1 1 32 32 SER H H 32 8.081 8.081 8.087 -0.006 25576 4007 1 8 . 1 1 33 33 GLU N N 33 121.738 121.738 126.301 -4.563 25576 4008 1 8 . 1 1 33 33 GLU HA H 33 5.131 5.131 4.916 0.215 25576 4009 1 8 . 1 1 33 33 GLU C C 33 175.317 175.317 176.010 -0.693 25576 4010 1 8 . 1 1 33 33 GLU CA C 33 55.212 55.212 55.914 -0.702 25576 4011 1 8 . 1 1 33 33 GLU CB C 33 32.596 32.596 30.100 2.496 25576 4012 1 8 . 1 1 33 33 GLU H H 33 8.616 8.616 8.056 0.560 25576 4013 1 8 . 1 1 34 34 ILE N N 34 124.389 124.389 125.475 -1.086 25576 4014 1 8 . 1 1 34 34 ILE HA H 34 4.359 4.359 4.472 -0.113 25576 4015 1 8 . 1 1 34 34 ILE C C 34 174.612 174.612 175.019 -0.407 25576 4016 1 8 . 1 1 34 34 ILE CA C 34 60.266 60.266 59.464 0.802 25576 4017 1 8 . 1 1 34 34 ILE CB C 34 40.906 40.906 39.517 1.389 25576 4018 1 8 . 1 1 34 34 ILE H H 34 8.670 8.670 8.432 0.238 25576 4019 1 8 . 1 1 35 35 HIS N N 35 125.683 125.683 125.405 0.278 25576 4020 1 8 . 1 1 35 35 HIS HA H 35 5.597 5.597 4.903 0.694 25576 4021 1 8 . 1 1 35 35 HIS C C 35 174.902 174.902 174.516 0.386 25576 4022 1 8 . 1 1 35 35 HIS CA C 35 54.765 54.765 54.057 0.708 25576 4023 1 8 . 1 1 35 35 HIS CB C 35 32.411 32.411 32.251 0.160 25576 4024 1 8 . 1 1 35 35 HIS H H 35 8.699 8.699 8.639 0.060 25576 4025 1 8 . 1 1 36 36 PHE N N 36 119.920 119.920 121.280 -1.360 25576 4026 1 8 . 1 1 36 36 PHE HA H 36 4.949 4.949 4.996 -0.047 25576 4027 1 8 . 1 1 36 36 PHE C C 36 174.000 174.000 173.690 0.310 25576 4028 1 8 . 1 1 36 36 PHE CA C 36 57.003 57.003 56.246 0.757 25576 4029 1 8 . 1 1 36 36 PHE CB C 36 44.431 44.431 41.154 3.277 25576 4030 1 8 . 1 1 36 36 PHE H H 36 9.103 9.103 8.447 0.656 25576 4031 1 8 . 1 1 37 37 LYS N N 37 123.747 123.747 123.716 0.031 25576 4032 1 8 . 1 1 37 37 LYS HA H 37 4.294 4.294 5.145 -0.851 25576 4033 1 8 . 1 1 37 37 LYS C C 37 176.145 176.145 175.595 0.550 25576 4034 1 8 . 1 1 37 37 LYS CA C 37 55.448 55.448 55.372 0.076 25576 4035 1 8 . 1 1 37 37 LYS CB C 37 33.467 33.467 32.991 0.476 25576 4036 1 8 . 1 1 37 37 LYS H H 37 8.787 8.787 8.494 0.293 25576 4037 1 8 . 1 1 38 38 VAL N N 38 119.736 119.736 118.752 0.984 25576 4038 1 8 . 1 1 38 38 VAL HA H 38 4.957 4.957 4.632 0.325 25576 4039 1 8 . 1 1 38 38 VAL C C 38 174.245 174.245 174.598 -0.353 25576 4040 1 8 . 1 1 38 38 VAL CA C 38 58.935 58.935 59.404 -0.469 25576 4041 1 8 . 1 1 38 38 VAL CB C 38 35.429 35.429 35.496 -0.067 25576 4042 1 8 . 1 1 38 38 VAL H H 38 9.138 9.138 8.656 0.482 25576 4043 1 8 . 1 1 39 39 LYS N N 39 122.359 122.359 120.504 1.855 25576 4044 1 8 . 1 1 39 39 LYS HA H 39 3.837 3.837 4.428 -0.591 25576 4045 1 8 . 1 1 39 39 LYS C C 39 179.383 179.383 177.549 1.834 25576 4046 1 8 . 1 1 39 39 LYS CA C 39 56.814 56.814 57.101 -0.287 25576 4047 1 8 . 1 1 39 39 LYS CB C 39 30.576 30.576 33.112 -2.536 25576 4048 1 8 . 1 1 39 39 LYS H H 39 8.611 8.611 8.435 0.176 25576 4049 1 8 . 1 1 40 40 MET N N 40 119.929 119.929 117.392 2.537 25576 4050 1 8 . 1 1 40 40 MET HA H 40 4.103 4.103 4.504 -0.401 25576 4051 1 8 . 1 1 40 40 MET C C 40 176.546 176.546 177.287 -0.741 25576 4052 1 8 . 1 1 40 40 MET CA C 40 57.320 57.320 58.190 -0.870 25576 4053 1 8 . 1 1 40 40 MET CB C 40 30.903 30.903 33.248 -2.345 25576 4054 1 8 . 1 1 40 40 MET H H 40 8.562 8.562 9.016 -0.454 25576 4055 1 8 . 1 1 41 41 THR N N 41 100.263 100.263 110.342 -10.079 25576 4056 1 8 . 1 1 41 41 THR HA H 41 4.349 4.349 4.328 0.021 25576 4057 1 8 . 1 1 41 41 THR C C 41 174.506 174.506 174.000 0.506 25576 4058 1 8 . 1 1 41 41 THR CA C 41 60.147 60.147 61.822 -1.675 25576 4059 1 8 . 1 1 41 41 THR CB C 41 68.836 68.836 68.470 0.366 25576 4060 1 8 . 1 1 41 41 THR H H 41 6.974 6.974 8.076 -1.102 25576 4061 1 8 . 1 1 42 42 THR N N 42 120.616 120.616 116.435 4.181 25576 4062 1 8 . 1 1 42 42 THR HA H 42 4.187 4.187 4.378 -0.191 25576 4063 1 8 . 1 1 42 42 THR C C 42 174.052 174.052 173.426 0.626 25576 4064 1 8 . 1 1 42 42 THR CA C 42 63.153 63.153 60.888 2.265 25576 4065 1 8 . 1 1 42 42 THR CB C 42 69.645 69.645 70.365 -0.720 25576 4066 1 8 . 1 1 42 42 THR H H 42 7.192 7.192 7.240 -0.048 25576 4067 1 8 . 1 1 43 43 HIS N N 43 126.236 126.236 121.975 4.261 25576 4068 1 8 . 1 1 43 43 HIS HA H 43 4.411 4.411 4.587 -0.176 25576 4069 1 8 . 1 1 43 43 HIS C C 43 178.431 178.431 176.497 1.934 25576 4070 1 8 . 1 1 43 43 HIS CA C 43 57.366 57.366 55.612 1.754 25576 4071 1 8 . 1 1 43 43 HIS CB C 43 30.155 30.155 30.971 -0.816 25576 4072 1 8 . 1 1 43 43 HIS H H 43 8.807 8.807 8.525 0.282 25576 4073 1 8 . 1 1 44 44 LEU N N 44 124.757 124.757 124.692 0.065 25576 4074 1 8 . 1 1 44 44 LEU HA H 44 3.983 3.983 4.058 -0.075 25576 4075 1 8 . 1 1 44 44 LEU C C 44 177.051 177.051 178.120 -1.069 25576 4076 1 8 . 1 1 44 44 LEU CA C 44 58.790 58.790 56.386 2.404 25576 4077 1 8 . 1 1 44 44 LEU CB C 44 41.240 41.240 40.941 0.299 25576 4078 1 8 . 1 1 44 44 LEU H H 44 9.349 9.349 8.941 0.408 25576 4079 1 8 . 1 1 45 45 LYS N N 45 121.424 121.424 119.096 2.328 25576 4080 1 8 . 1 1 45 45 LYS HA H 45 3.584 3.584 3.973 -0.389 25576 4081 1 8 . 1 1 45 45 LYS C C 45 176.867 176.867 178.364 -1.497 25576 4082 1 8 . 1 1 45 45 LYS CA C 45 60.662 60.662 59.259 1.403 25576 4083 1 8 . 1 1 45 45 LYS CB C 45 33.389 33.389 31.336 2.053 25576 4084 1 8 . 1 1 45 45 LYS H H 45 8.543 8.543 7.700 0.843 25576 4085 1 8 . 1 1 46 46 LYS N N 46 114.033 114.033 118.316 -4.283 25576 4086 1 8 . 1 1 46 46 LYS HA H 46 4.087 4.087 4.273 -0.186 25576 4087 1 8 . 1 1 46 46 LYS C C 46 178.977 178.977 179.008 -0.031 25576 4088 1 8 . 1 1 46 46 LYS CA C 46 58.615 58.615 58.515 0.100 25576 4089 1 8 . 1 1 46 46 LYS CB C 46 31.643 31.643 31.631 0.012 25576 4090 1 8 . 1 1 46 46 LYS H H 46 7.517 7.517 7.533 -0.016 25576 4091 1 8 . 1 1 47 47 LEU N N 47 121.871 121.871 121.156 0.715 25576 4092 1 8 . 1 1 47 47 LEU HA H 47 3.660 3.660 3.793 -0.133 25576 4093 1 8 . 1 1 47 47 LEU C C 47 177.575 177.575 177.991 -0.416 25576 4094 1 8 . 1 1 47 47 LEU CA C 47 58.514 58.514 57.546 0.968 25576 4095 1 8 . 1 1 47 47 LEU CB C 47 41.890 41.890 41.584 0.306 25576 4096 1 8 . 1 1 47 47 LEU H H 47 6.739 6.739 7.165 -0.426 25576 4097 1 8 . 1 1 48 48 LYS N N 48 118.246 118.246 118.989 -0.743 25576 4098 1 8 . 1 1 48 48 LYS HA H 48 3.081 3.081 4.026 -0.945 25576 4099 1 8 . 1 1 48 48 LYS C C 48 178.700 178.700 178.920 -0.220 25576 4100 1 8 . 1 1 48 48 LYS CA C 48 59.712 59.712 60.365 -0.653 25576 4101 1 8 . 1 1 48 48 LYS CB C 48 32.411 32.411 31.886 0.525 25576 4102 1 8 . 1 1 48 48 LYS H H 48 7.556 7.556 8.507 -0.951 25576 4103 1 8 . 1 1 49 49 GLU N N 49 118.092 118.092 117.509 0.583 25576 4104 1 8 . 1 1 49 49 GLU HA H 49 3.973 3.973 3.871 0.102 25576 4105 1 8 . 1 1 49 49 GLU C C 49 179.453 179.453 178.468 0.985 25576 4106 1 8 . 1 1 49 49 GLU CA C 49 59.627 59.627 59.114 0.513 25576 4107 1 8 . 1 1 49 49 GLU CB C 49 30.120 30.120 28.727 1.393 25576 4108 1 8 . 1 1 49 49 GLU H H 49 8.500 8.500 8.068 0.432 25576 4109 1 8 . 1 1 50 50 SER N N 50 115.646 115.646 117.073 -1.427 25576 4110 1 8 . 1 1 50 50 SER HA H 50 4.260 4.260 4.131 0.129 25576 4111 1 8 . 1 1 50 50 SER C C 50 177.171 177.171 176.641 0.530 25576 4112 1 8 . 1 1 50 50 SER CA C 50 61.947 61.947 61.460 0.487 25576 4113 1 8 . 1 1 50 50 SER CB C 50 63.258 63.258 63.061 0.197 25576 4114 1 8 . 1 1 50 50 SER H H 50 7.966 7.966 7.642 0.324 25576 4115 1 8 . 1 1 51 51 TYR N N 51 122.610 122.610 119.627 2.983 25576 4116 1 8 . 1 1 51 51 TYR HA H 51 4.026 4.026 4.524 -0.498 25576 4117 1 8 . 1 1 51 51 TYR C C 51 177.374 177.374 177.406 -0.032 25576 4118 1 8 . 1 1 51 51 TYR CA C 51 63.608 63.608 60.054 3.554 25576 4119 1 8 . 1 1 51 51 TYR CB C 51 38.618 38.618 37.754 0.864 25576 4120 1 8 . 1 1 51 51 TYR H H 51 8.833 8.833 8.063 0.770 25576 4121 1 8 . 1 1 52 52 CYS N N 52 117.395 117.395 119.810 -2.415 25576 4122 1 8 . 1 1 52 52 CYS HA H 52 3.915 3.915 3.769 0.146 25576 4123 1 8 . 1 1 52 52 CYS C C 52 177.182 177.182 176.657 0.525 25576 4124 1 8 . 1 1 52 52 CYS CA C 52 65.108 65.108 64.371 0.737 25576 4125 1 8 . 1 1 52 52 CYS CB C 52 26.151 26.151 27.160 -1.009 25576 4126 1 8 . 1 1 52 52 CYS H H 52 8.676 8.676 7.285 1.391 25576 4127 1 8 . 1 1 53 53 GLN N N 53 119.196 119.196 118.968 0.228 25576 4128 1 8 . 1 1 53 53 GLN HA H 53 4.109 4.109 3.975 0.134 25576 4129 1 8 . 1 1 53 53 GLN C C 53 179.105 179.105 178.175 0.930 25576 4130 1 8 . 1 1 53 53 GLN CA C 53 58.973 58.973 58.340 0.633 25576 4131 1 8 . 1 1 53 53 GLN CB C 53 28.211 28.211 28.000 0.211 25576 4132 1 8 . 1 1 53 53 GLN H H 53 8.322 8.322 8.287 0.035 25576 4133 1 8 . 1 1 54 54 ARG N N 54 120.139 120.139 119.699 0.440 25576 4134 1 8 . 1 1 54 54 ARG HA H 54 4.018 4.018 4.125 -0.107 25576 4135 1 8 . 1 1 54 54 ARG C C 54 178.300 178.300 178.583 -0.283 25576 4136 1 8 . 1 1 54 54 ARG CA C 54 58.552 58.552 58.264 0.288 25576 4137 1 8 . 1 1 54 54 ARG CB C 54 29.669 29.669 29.788 -0.119 25576 4138 1 8 . 1 1 54 54 ARG H H 54 8.011 8.011 7.751 0.260 25576 4139 1 8 . 1 1 55 55 GLN N N 55 114.160 114.160 116.598 -2.438 25576 4140 1 8 . 1 1 55 55 GLN HA H 55 4.251 4.251 4.315 -0.064 25576 4141 1 8 . 1 1 55 55 GLN C C 55 176.410 176.410 177.042 -0.632 25576 4142 1 8 . 1 1 55 55 GLN CA C 55 55.119 55.119 56.937 -1.817 25576 4143 1 8 . 1 1 55 55 GLN CB C 55 29.424 29.424 29.461 -0.037 25576 4144 1 8 . 1 1 55 55 GLN H H 55 7.806 7.806 7.756 0.050 25576 4145 1 8 . 1 1 56 56 GLY N N 56 109.749 109.749 107.696 2.053 25576 4146 1 8 . 1 1 56 56 GLY C C 56 174.908 174.908 173.836 1.072 25576 4147 1 8 . 1 1 56 56 GLY CA C 56 46.658 46.658 45.226 1.432 25576 4148 1 8 . 1 1 56 56 GLY H H 56 7.932 7.932 7.694 0.238 25576 4149 1 8 . 1 1 57 57 VAL N N 57 111.990 111.990 114.156 -2.166 25576 4150 1 8 . 1 1 57 57 VAL HA H 57 4.941 4.941 4.643 0.298 25576 4151 1 8 . 1 1 57 57 VAL CA C 57 57.534 57.534 58.428 -0.894 25576 4152 1 8 . 1 1 57 57 VAL CB C 57 32.697 32.697 34.016 -1.319 25576 4153 1 8 . 1 1 57 57 VAL H H 57 7.651 7.651 7.565 0.086 25576 4154 1 8 . 1 1 58 58 PRO HA H 58 4.528 4.528 4.596 -0.068 25576 4155 1 8 . 1 1 58 58 PRO C C 58 179.169 179.169 177.521 1.648 25576 4156 1 8 . 1 1 58 58 PRO CA C 58 62.211 62.211 62.443 -0.232 25576 4157 1 8 . 1 1 58 58 PRO CB C 58 32.543 32.543 32.646 -0.103 25576 4158 1 8 . 1 1 59 59 MET N N 59 124.522 124.522 119.442 5.080 25576 4159 1 8 . 1 1 59 59 MET HA H 59 4.703 4.703 4.149 0.554 25576 4160 1 8 . 1 1 59 59 MET C C 59 177.459 177.459 175.930 1.529 25576 4161 1 8 . 1 1 59 59 MET CA C 59 58.247 58.247 58.026 0.221 25576 4162 1 8 . 1 1 59 59 MET CB C 59 32.795 32.795 32.347 0.448 25576 4163 1 8 . 1 1 59 59 MET H H 59 9.002 9.002 8.555 0.447 25576 4164 1 8 . 1 1 60 60 ASN N N 60 113.185 113.185 113.199 -0.014 25576 4165 1 8 . 1 1 60 60 ASN HA H 60 4.673 4.673 4.647 0.026 25576 4166 1 8 . 1 1 60 60 ASN C C 60 175.674 175.674 176.093 -0.419 25576 4167 1 8 . 1 1 60 60 ASN CA C 60 53.935 53.935 53.477 0.458 25576 4168 1 8 . 1 1 60 60 ASN CB C 60 37.217 37.217 37.580 -0.363 25576 4169 1 8 . 1 1 60 60 ASN H H 60 8.424 8.424 8.086 0.338 25576 4170 1 8 . 1 1 61 61 SER N N 61 113.092 113.092 114.683 -1.591 25576 4171 1 8 . 1 1 61 61 SER HA H 61 4.500 4.500 4.524 -0.024 25576 4172 1 8 . 1 1 61 61 SER C C 61 173.455 173.455 173.468 -0.013 25576 4173 1 8 . 1 1 61 61 SER CA C 61 59.609 59.609 60.708 -1.099 25576 4174 1 8 . 1 1 61 61 SER CB C 61 64.812 64.812 64.283 0.529 25576 4175 1 8 . 1 1 61 61 SER H H 61 7.931 7.931 7.701 0.230 25576 4176 1 8 . 1 1 62 62 LEU N N 62 120.961 120.961 116.405 4.556 25576 4177 1 8 . 1 1 62 62 LEU HA H 62 5.109 5.109 5.187 -0.078 25576 4178 1 8 . 1 1 62 62 LEU C C 62 175.588 175.588 175.348 0.240 25576 4179 1 8 . 1 1 62 62 LEU CA C 62 53.575 53.575 53.161 0.414 25576 4180 1 8 . 1 1 62 62 LEU CB C 62 46.262 46.262 45.449 0.813 25576 4181 1 8 . 1 1 62 62 LEU H H 62 7.265 7.265 7.162 0.103 25576 4182 1 8 . 1 1 63 63 ARG N N 63 120.142 120.142 119.138 1.004 25576 4183 1 8 . 1 1 63 63 ARG HA H 63 4.668 4.668 4.237 0.431 25576 4184 1 8 . 1 1 63 63 ARG C C 63 172.784 172.784 174.910 -2.126 25576 4185 1 8 . 1 1 63 63 ARG CA C 63 54.488 54.488 54.045 0.443 25576 4186 1 8 . 1 1 63 63 ARG CB C 63 33.111 33.111 31.964 1.147 25576 4187 1 8 . 1 1 63 63 ARG H H 63 8.993 8.993 8.989 0.004 25576 4188 1 8 . 1 1 64 64 PHE N N 64 122.537 122.537 120.023 2.514 25576 4189 1 8 . 1 1 64 64 PHE HA H 64 4.959 4.959 5.669 -0.710 25576 4190 1 8 . 1 1 64 64 PHE C C 64 174.150 174.150 174.378 -0.228 25576 4191 1 8 . 1 1 64 64 PHE CA C 64 56.347 56.347 54.587 1.760 25576 4192 1 8 . 1 1 64 64 PHE CB C 64 40.762 40.762 39.909 0.853 25576 4193 1 8 . 1 1 64 64 PHE H H 64 8.923 8.923 7.973 0.950 25576 4194 1 8 . 1 1 65 65 LEU N N 65 124.212 124.212 119.559 4.653 25576 4195 1 8 . 1 1 65 65 LEU HA H 65 5.290 5.290 5.717 -0.427 25576 4196 1 8 . 1 1 65 65 LEU C C 65 175.903 175.903 174.393 1.510 25576 4197 1 8 . 1 1 65 65 LEU CA C 65 53.729 53.729 53.426 0.303 25576 4198 1 8 . 1 1 65 65 LEU CB C 65 46.385 46.385 46.270 0.115 25576 4199 1 8 . 1 1 65 65 LEU H H 65 9.738 9.738 9.310 0.428 25576 4200 1 8 . 1 1 66 66 PHE N N 66 119.384 119.384 120.519 -1.135 25576 4201 1 8 . 1 1 66 66 PHE HA H 66 5.202 5.202 4.978 0.224 25576 4202 1 8 . 1 1 66 66 PHE C C 66 175.017 175.017 174.777 0.240 25576 4203 1 8 . 1 1 66 66 PHE CA C 66 56.291 56.291 57.834 -1.543 25576 4204 1 8 . 1 1 66 66 PHE CB C 66 41.700 41.700 42.703 -1.003 25576 4205 1 8 . 1 1 66 66 PHE H H 66 8.968 8.968 9.038 -0.070 25576 4206 1 8 . 1 1 67 67 GLU N N 67 129.196 129.196 124.680 4.516 25576 4207 1 8 . 1 1 67 67 GLU HA H 67 3.540 3.540 3.594 -0.054 25576 4208 1 8 . 1 1 67 67 GLU C C 67 176.778 176.778 176.129 0.649 25576 4209 1 8 . 1 1 67 67 GLU CA C 67 56.769 56.769 56.721 0.048 25576 4210 1 8 . 1 1 67 67 GLU CB C 67 26.897 26.897 27.351 -0.454 25576 4211 1 8 . 1 1 67 67 GLU H H 67 9.381 9.381 8.676 0.705 25576 4212 1 8 . 1 1 68 68 GLY N N 68 103.263 103.263 105.217 -1.954 25576 4213 1 8 . 1 1 68 68 GLY C C 68 173.651 173.651 173.157 0.494 25576 4214 1 8 . 1 1 68 68 GLY CA C 68 45.476 45.476 44.900 0.576 25576 4215 1 8 . 1 1 68 68 GLY H H 68 8.858 8.858 8.272 0.586 25576 4216 1 8 . 1 1 69 69 GLN N N 69 120.732 120.732 118.617 2.115 25576 4217 1 8 . 1 1 69 69 GLN HA H 69 4.589 4.589 4.701 -0.112 25576 4218 1 8 . 1 1 69 69 GLN C C 69 175.204 175.204 174.759 0.445 25576 4219 1 8 . 1 1 69 69 GLN CA C 69 53.776 53.776 54.072 -0.296 25576 4220 1 8 . 1 1 69 69 GLN CB C 69 30.660 30.660 31.878 -1.218 25576 4221 1 8 . 1 1 69 69 GLN H H 69 7.996 7.996 8.051 -0.055 25576 4222 1 8 . 1 1 70 70 ARG N N 70 125.102 125.102 124.888 0.214 25576 4223 1 8 . 1 1 70 70 ARG HA H 70 4.395 4.395 4.651 -0.256 25576 4224 1 8 . 1 1 70 70 ARG C C 70 177.004 177.004 175.489 1.515 25576 4225 1 8 . 1 1 70 70 ARG CA C 70 57.305 57.305 55.851 1.454 25576 4226 1 8 . 1 1 70 70 ARG CB C 70 30.511 30.511 30.750 -0.239 25576 4227 1 8 . 1 1 70 70 ARG H H 70 8.823 8.823 8.798 0.025 25576 4228 1 8 . 1 1 71 71 ILE N N 71 126.949 126.949 123.588 3.361 25576 4229 1 8 . 1 1 71 71 ILE HA H 71 4.477 4.477 4.424 0.053 25576 4230 1 8 . 1 1 71 71 ILE C C 71 176.145 176.145 174.966 1.179 25576 4231 1 8 . 1 1 71 71 ILE CA C 71 61.337 61.337 59.117 2.220 25576 4232 1 8 . 1 1 71 71 ILE CB C 71 39.067 39.067 36.377 2.690 25576 4233 1 8 . 1 1 71 71 ILE H H 71 9.020 9.020 8.503 0.517 25576 4234 1 8 . 1 1 72 72 ALA N N 72 139.307 139.307 130.011 9.296 25576 4235 1 8 . 1 1 72 72 ALA HA H 72 4.334 4.334 4.452 -0.118 25576 4236 1 8 . 1 1 72 72 ALA C C 72 177.973 177.973 178.316 -0.343 25576 4237 1 8 . 1 1 72 72 ALA CA C 72 50.785 50.785 50.139 0.646 25576 4238 1 8 . 1 1 72 72 ALA CB C 72 18.407 18.407 20.835 -2.428 25576 4239 1 8 . 1 1 72 72 ALA H H 72 10.910 10.910 7.974 2.936 25576 4240 1 8 . 1 1 73 73 ASP N N 73 120.493 120.493 119.396 1.097 25576 4241 1 8 . 1 1 73 73 ASP HA H 73 3.823 3.823 4.248 -0.425 25576 4242 1 8 . 1 1 73 73 ASP C C 73 176.104 176.104 176.557 -0.453 25576 4243 1 8 . 1 1 73 73 ASP CA C 73 57.113 57.113 56.943 0.170 25576 4244 1 8 . 1 1 73 73 ASP CB C 73 40.032 40.032 40.734 -0.702 25576 4245 1 8 . 1 1 73 73 ASP H H 73 8.770 8.770 8.638 0.132 25576 4246 1 8 . 1 1 74 74 ASN N N 74 109.526 109.526 114.392 -4.866 25576 4247 1 8 . 1 1 74 74 ASN HA H 74 4.245 4.245 4.050 0.195 25576 4248 1 8 . 1 1 74 74 ASN C C 74 176.050 176.050 174.712 1.338 25576 4249 1 8 . 1 1 74 74 ASN CA C 74 52.073 52.073 52.521 -0.448 25576 4250 1 8 . 1 1 74 74 ASN CB C 74 37.343 37.343 38.553 -1.210 25576 4251 1 8 . 1 1 74 74 ASN H H 74 7.738 7.738 8.157 -0.419 25576 4252 1 8 . 1 1 75 75 HIS N N 75 119.821 119.821 120.666 -0.845 25576 4253 1 8 . 1 1 75 75 HIS HA H 75 4.908 4.908 4.593 0.315 25576 4254 1 8 . 1 1 75 75 HIS C C 75 175.680 175.680 174.095 1.585 25576 4255 1 8 . 1 1 75 75 HIS CA C 75 56.606 56.606 56.249 0.357 25576 4256 1 8 . 1 1 75 75 HIS CB C 75 33.549 33.549 31.192 2.357 25576 4257 1 8 . 1 1 75 75 HIS H H 75 7.149 7.149 7.558 -0.409 25576 4258 1 8 . 1 1 76 76 THR N N 76 108.304 108.304 114.396 -6.092 25576 4259 1 8 . 1 1 76 76 THR HA H 76 5.197 5.197 5.236 -0.039 25576 4260 1 8 . 1 1 76 76 THR CA C 76 57.594 57.594 58.195 -0.601 25576 4261 1 8 . 1 1 76 76 THR CB C 76 70.033 70.033 70.686 -0.653 25576 4262 1 8 . 1 1 76 76 THR H H 76 7.303 7.303 8.312 -1.009 25576 4263 1 8 . 1 1 77 77 PRO HA H 77 4.241 4.241 4.167 0.074 25576 4264 1 8 . 1 1 77 77 PRO C C 77 178.445 178.445 177.824 0.621 25576 4265 1 8 . 1 1 77 77 PRO CA C 77 65.724 65.724 65.116 0.608 25576 4266 1 8 . 1 1 77 77 PRO CB C 77 32.479 32.479 31.894 0.585 25576 4267 1 8 . 1 1 78 78 LYS N N 78 115.329 115.329 116.014 -0.685 25576 4268 1 8 . 1 1 78 78 LYS HA H 78 3.956 3.956 4.093 -0.137 25576 4269 1 8 . 1 1 78 78 LYS C C 78 179.328 179.328 178.788 0.540 25576 4270 1 8 . 1 1 78 78 LYS CA C 78 59.012 59.012 59.086 -0.074 25576 4271 1 8 . 1 1 78 78 LYS CB C 78 32.845 32.845 31.641 1.204 25576 4272 1 8 . 1 1 78 78 LYS H H 78 8.073 8.073 7.605 0.468 25576 4273 1 8 . 1 1 79 79 GLU N N 79 120.840 120.840 119.627 1.213 25576 4274 1 8 . 1 1 79 79 GLU HA H 79 3.957 3.957 4.150 -0.193 25576 4275 1 8 . 1 1 79 79 GLU C C 79 178.566 178.566 178.362 0.204 25576 4276 1 8 . 1 1 79 79 GLU CA C 79 58.790 58.790 58.288 0.502 25576 4277 1 8 . 1 1 79 79 GLU CB C 79 30.290 30.290 29.462 0.828 25576 4278 1 8 . 1 1 79 79 GLU H H 79 7.978 7.978 7.508 0.470 25576 4279 1 8 . 1 1 80 80 LEU N N 80 115.072 115.072 117.626 -2.554 25576 4280 1 8 . 1 1 80 80 LEU HA H 80 4.222 4.222 4.310 -0.088 25576 4281 1 8 . 1 1 80 80 LEU C C 80 176.602 176.602 177.843 -1.241 25576 4282 1 8 . 1 1 80 80 LEU CA C 80 54.613 54.613 55.320 -0.707 25576 4283 1 8 . 1 1 80 80 LEU CB C 80 42.453 42.453 42.191 0.263 25576 4284 1 8 . 1 1 80 80 LEU H H 80 7.486 7.486 8.077 -0.591 25576 4285 1 8 . 1 1 81 81 GLY N N 81 108.019 108.019 106.422 1.597 25576 4286 1 8 . 1 1 81 81 GLY C C 81 175.390 175.390 174.218 1.172 25576 4287 1 8 . 1 1 81 81 GLY CA C 81 46.622 46.622 45.173 1.448 25576 4288 1 8 . 1 1 81 81 GLY H H 81 7.644 7.644 7.473 0.171 25576 4289 1 8 . 1 1 82 82 MET N N 82 117.606 117.606 118.434 -0.828 25576 4290 1 8 . 1 1 82 82 MET HA H 82 4.185 4.185 4.723 -0.538 25576 4291 1 8 . 1 1 82 82 MET C C 82 174.482 174.482 175.112 -0.630 25576 4292 1 8 . 1 1 82 82 MET CA C 82 57.019 57.019 55.047 1.972 25576 4293 1 8 . 1 1 82 82 MET CB C 82 34.089 34.089 35.373 -1.284 25576 4294 1 8 . 1 1 82 82 MET H H 82 7.628 7.628 8.209 -0.581 25576 4295 1 8 . 1 1 83 83 GLU N N 83 120.980 120.980 118.402 2.578 25576 4296 1 8 . 1 1 83 83 GLU HA H 83 4.457 4.457 4.780 -0.323 25576 4297 1 8 . 1 1 83 83 GLU C C 83 174.297 174.297 175.551 -1.254 25576 4298 1 8 . 1 1 83 83 GLU CA C 83 53.875 53.875 54.145 -0.270 25576 4299 1 8 . 1 1 83 83 GLU CB C 83 33.937 33.937 32.437 1.500 25576 4300 1 8 . 1 1 83 83 GLU H H 83 9.314 9.314 8.093 1.221 25576 4301 1 8 . 1 1 84 84 GLU N N 84 119.063 119.063 120.444 -1.381 25576 4302 1 8 . 1 1 84 84 GLU HA H 84 4.199 4.199 4.238 -0.039 25576 4303 1 8 . 1 1 84 84 GLU C C 84 177.527 177.527 176.487 1.040 25576 4304 1 8 . 1 1 84 84 GLU CA C 84 58.549 58.549 56.799 1.750 25576 4305 1 8 . 1 1 84 84 GLU CB C 84 29.993 29.993 28.969 1.024 25576 4306 1 8 . 1 1 84 84 GLU H H 84 8.341 8.341 8.543 -0.202 25576 4307 1 8 . 1 1 85 85 GLU N N 85 118.840 118.840 118.249 0.591 25576 4308 1 8 . 1 1 85 85 GLU HA H 85 3.645 3.645 3.827 -0.182 25576 4309 1 8 . 1 1 85 85 GLU C C 85 175.047 175.047 175.450 -0.403 25576 4310 1 8 . 1 1 85 85 GLU CA C 85 58.846 58.846 57.963 0.883 25576 4311 1 8 . 1 1 85 85 GLU CB C 85 26.691 26.691 29.012 -2.321 25576 4312 1 8 . 1 1 85 85 GLU H H 85 9.357 9.357 9.147 0.210 25576 4313 1 8 . 1 1 86 86 ASP N N 86 120.217 120.217 120.004 0.213 25576 4314 1 8 . 1 1 86 86 ASP HA H 86 4.880 4.880 4.656 0.224 25576 4315 1 8 . 1 1 86 86 ASP C C 86 174.417 174.417 174.635 -0.218 25576 4316 1 8 . 1 1 86 86 ASP CA C 86 55.822 55.822 55.703 0.119 25576 4317 1 8 . 1 1 86 86 ASP CB C 86 41.926 41.926 42.631 -0.705 25576 4318 1 8 . 1 1 86 86 ASP H H 86 8.155 8.155 7.657 0.498 25576 4319 1 8 . 1 1 87 87 VAL N N 87 116.641 116.641 119.262 -2.621 25576 4320 1 8 . 1 1 87 87 VAL HA H 87 4.924 4.924 5.069 -0.145 25576 4321 1 8 . 1 1 87 87 VAL C C 87 176.064 176.064 174.410 1.654 25576 4322 1 8 . 1 1 87 87 VAL CA C 87 61.311 61.311 59.970 1.341 25576 4323 1 8 . 1 1 87 87 VAL CB C 87 35.067 35.067 34.760 0.307 25576 4324 1 8 . 1 1 87 87 VAL H H 87 8.191 8.191 8.220 -0.029 25576 4325 1 8 . 1 1 88 88 ILE N N 88 127.353 127.353 126.016 1.337 25576 4326 1 8 . 1 1 88 88 ILE HA H 88 4.845 4.845 4.693 0.152 25576 4327 1 8 . 1 1 88 88 ILE C C 88 174.967 174.967 173.799 1.168 25576 4328 1 8 . 1 1 88 88 ILE CA C 88 59.381 59.381 59.764 -0.383 25576 4329 1 8 . 1 1 88 88 ILE CB C 88 40.984 40.984 41.133 -0.148 25576 4330 1 8 . 1 1 88 88 ILE H H 88 9.165 9.165 8.938 0.227 25576 4331 1 8 . 1 1 89 89 GLU N N 89 125.851 125.851 123.511 2.340 25576 4332 1 8 . 1 1 89 89 GLU HA H 89 4.820 4.820 4.656 0.164 25576 4333 1 8 . 1 1 89 89 GLU C C 89 175.262 175.262 174.794 0.468 25576 4334 1 8 . 1 1 89 89 GLU CA C 89 55.158 55.158 54.812 0.346 25576 4335 1 8 . 1 1 89 89 GLU CB C 89 33.359 33.359 32.307 1.052 25576 4336 1 8 . 1 1 89 89 GLU H H 89 8.858 8.858 8.745 0.113 25576 4337 1 8 . 1 1 90 90 VAL N N 90 119.735 119.735 125.054 -5.319 25576 4338 1 8 . 1 1 90 90 VAL HA H 90 4.817 4.817 5.291 -0.474 25576 4339 1 8 . 1 1 90 90 VAL C C 90 174.870 174.870 174.510 0.360 25576 4340 1 8 . 1 1 90 90 VAL CA C 90 59.412 59.412 60.273 -0.861 25576 4341 1 8 . 1 1 90 90 VAL CB C 90 34.031 34.031 34.430 -0.399 25576 4342 1 8 . 1 1 90 90 VAL H H 90 7.770 7.770 8.142 -0.372 25576 4343 1 8 . 1 1 91 91 TYR N N 91 124.243 124.243 124.192 0.051 25576 4344 1 8 . 1 1 91 91 TYR HA H 91 4.621 4.621 4.730 -0.109 25576 4345 1 8 . 1 1 91 91 TYR C C 91 174.588 174.588 174.303 0.285 25576 4346 1 8 . 1 1 91 91 TYR CA C 91 56.018 56.018 56.859 -0.841 25576 4347 1 8 . 1 1 91 91 TYR CB C 91 42.641 42.641 42.247 0.394 25576 4348 1 8 . 1 1 91 91 TYR H H 91 8.540 8.540 9.214 -0.674 25576 4349 1 8 . 1 1 92 92 GLN N N 92 120.784 120.784 119.829 0.955 25576 4350 1 8 . 1 1 92 92 GLN HA H 92 4.529 4.529 4.605 -0.076 25576 4351 1 8 . 1 1 92 92 GLN C C 92 176.679 176.679 175.713 0.966 25576 4352 1 8 . 1 1 92 92 GLN CA C 92 56.135 56.135 55.522 0.613 25576 4353 1 8 . 1 1 92 92 GLN CB C 92 29.342 29.342 30.090 -0.748 25576 4354 1 8 . 1 1 92 92 GLN H H 92 8.726 8.726 8.686 0.040 25576 4355 1 8 . 1 1 93 93 GLU N N 93 125.131 125.131 123.663 1.468 25576 4356 1 8 . 1 1 93 93 GLU HA H 93 4.364 4.364 4.529 -0.166 25576 4357 1 8 . 1 1 93 93 GLU C C 93 176.244 176.244 176.782 -0.538 25576 4358 1 8 . 1 1 93 93 GLU CA C 93 56.111 56.111 55.711 0.400 25576 4359 1 8 . 1 1 93 93 GLU CB C 93 30.517 30.517 30.229 0.288 25576 4360 1 8 . 1 1 93 93 GLU H H 93 8.419 8.419 9.107 -0.688 25576 4361 1 8 . 1 1 94 94 GLN N N 94 122.912 122.912 120.591 2.321 25576 4362 1 8 . 1 1 94 94 GLN HA H 94 4.439 4.439 4.257 0.182 25576 4363 1 8 . 1 1 94 94 GLN C C 94 176.135 176.135 176.475 -0.340 25576 4364 1 8 . 1 1 94 94 GLN CA C 94 55.585 55.585 56.508 -0.923 25576 4365 1 8 . 1 1 94 94 GLN CB C 94 29.513 29.513 29.192 0.321 25576 4366 1 8 . 1 1 94 94 GLN H H 94 8.780 8.780 7.933 0.847 25576 4367 1 8 . 1 1 95 95 THR N N 95 116.094 116.094 113.329 2.765 25576 4368 1 8 . 1 1 95 95 THR HA H 95 4.294 4.294 4.449 -0.155 25576 4369 1 8 . 1 1 95 95 THR C C 95 175.136 175.136 173.190 1.946 25576 4370 1 8 . 1 1 95 95 THR CA C 95 61.971 61.971 62.148 -0.177 25576 4371 1 8 . 1 1 95 95 THR CB C 95 69.829 69.829 69.519 0.310 25576 4372 1 8 . 1 1 95 95 THR H H 95 8.392 8.392 8.197 0.195 25576 4373 1 8 . 1 1 96 96 GLY N N 96 111.858 111.858 114.790 -2.932 25576 4374 1 8 . 1 1 96 96 GLY C C 96 173.704 173.704 174.336 -0.632 25576 4375 1 8 . 1 1 96 96 GLY CA C 96 45.424 45.424 45.869 -0.445 25576 4376 1 8 . 1 1 96 96 GLY H H 96 8.508 8.508 8.385 0.123 25576 4377 1 9 . 1 1 2 2 SER N N 2 116.367 116.367 116.504 -0.137 25576 4378 1 9 . 1 1 2 2 SER HA H 2 4.458 4.458 4.539 -0.081 25576 4379 1 9 . 1 1 2 2 SER C C 2 174.579 174.579 173.697 0.882 25576 4380 1 9 . 1 1 2 2 SER CA C 2 58.539 58.539 57.992 0.547 25576 4381 1 9 . 1 1 2 2 SER CB C 2 63.940 63.940 63.533 0.407 25576 4382 1 9 . 1 1 2 2 SER H H 2 8.127 8.127 7.920 0.207 25576 4383 1 9 . 1 1 3 3 ASP N N 3 122.355 122.355 120.919 1.436 25576 4384 1 9 . 1 1 3 3 ASP HA H 3 4.566 4.566 4.433 0.133 25576 4385 1 9 . 1 1 3 3 ASP C C 3 176.445 176.445 175.238 1.207 25576 4386 1 9 . 1 1 3 3 ASP CA C 3 54.819 54.819 54.969 -0.150 25576 4387 1 9 . 1 1 3 3 ASP CB C 3 40.939 40.939 39.562 1.377 25576 4388 1 9 . 1 1 3 3 ASP H H 3 8.360 8.360 8.369 -0.009 25576 4389 1 9 . 1 1 4 4 GLN N N 4 119.955 119.955 118.752 1.203 25576 4390 1 9 . 1 1 4 4 GLN HA H 4 4.262 4.262 4.116 0.146 25576 4391 1 9 . 1 1 4 4 GLN C C 4 176.138 176.138 176.388 -0.250 25576 4392 1 9 . 1 1 4 4 GLN CA C 4 55.933 55.933 56.831 -0.898 25576 4393 1 9 . 1 1 4 4 GLN CB C 4 29.411 29.411 28.653 0.758 25576 4394 1 9 . 1 1 4 4 GLN H H 4 8.250 8.250 8.146 0.104 25576 4395 1 9 . 1 1 5 5 GLU N N 5 121.392 121.392 125.948 -4.556 25576 4396 1 9 . 1 1 5 5 GLU HA H 5 4.203 4.203 4.394 -0.191 25576 4397 1 9 . 1 1 5 5 GLU C C 5 176.137 176.137 175.725 0.412 25576 4398 1 9 . 1 1 5 5 GLU CA C 5 56.480 56.480 55.464 1.016 25576 4399 1 9 . 1 1 5 5 GLU CB C 5 30.261 30.261 30.596 -0.335 25576 4400 1 9 . 1 1 5 5 GLU H H 5 8.292 8.292 8.686 -0.394 25576 4401 1 9 . 1 1 6 6 ALA N N 6 125.339 125.339 122.891 2.448 25576 4402 1 9 . 1 1 6 6 ALA HA H 6 4.261 4.261 4.612 -0.351 25576 4403 1 9 . 1 1 6 6 ALA C C 6 177.348 177.348 176.420 0.928 25576 4404 1 9 . 1 1 6 6 ALA CA C 6 52.319 52.319 51.558 0.761 25576 4405 1 9 . 1 1 6 6 ALA CB C 6 19.120 19.120 19.763 -0.643 25576 4406 1 9 . 1 1 6 6 ALA H H 6 8.253 8.253 8.457 -0.204 25576 4407 1 9 . 1 1 7 7 LYS N N 7 122.299 122.299 122.271 0.028 25576 4408 1 9 . 1 1 7 7 LYS HA H 7 4.573 4.573 4.666 -0.093 25576 4409 1 9 . 1 1 7 7 LYS CA C 7 54.062 54.062 53.664 0.398 25576 4410 1 9 . 1 1 7 7 LYS CB C 7 32.588 32.588 32.484 0.104 25576 4411 1 9 . 1 1 7 7 LYS H H 7 8.302 8.302 8.292 0.010 25576 4412 1 9 . 1 1 8 8 PRO HA H 8 4.425 4.425 4.423 0.002 25576 4413 1 9 . 1 1 8 8 PRO C C 8 177.020 177.020 176.106 0.914 25576 4414 1 9 . 1 1 8 8 PRO CA C 8 63.029 63.029 63.065 -0.036 25576 4415 1 9 . 1 1 8 8 PRO CB C 8 32.158 32.158 31.325 0.833 25576 4416 1 9 . 1 1 9 9 SER N N 9 116.888 116.888 121.633 -4.745 25576 4417 1 9 . 1 1 9 9 SER HA H 9 4.479 4.479 4.514 -0.035 25576 4418 1 9 . 1 1 9 9 SER C C 9 174.261 174.261 174.818 -0.557 25576 4419 1 9 . 1 1 9 9 SER CA C 9 58.299 58.299 58.154 0.145 25576 4420 1 9 . 1 1 9 9 SER CB C 9 63.848 63.848 63.755 0.092 25576 4421 1 9 . 1 1 9 9 SER H H 9 8.596 8.596 8.343 0.253 25576 4422 1 9 . 1 1 10 10 THR N N 10 115.838 115.838 124.053 -8.215 25576 4423 1 9 . 1 1 10 10 THR HA H 10 4.334 4.334 4.316 0.018 25576 4424 1 9 . 1 1 10 10 THR C C 10 176.158 176.158 173.917 2.241 25576 4425 1 9 . 1 1 10 10 THR CA C 10 61.966 61.966 63.356 -1.390 25576 4426 1 9 . 1 1 10 10 THR CB C 10 69.581 69.581 68.719 0.862 25576 4427 1 9 . 1 1 10 10 THR H H 10 8.247 8.247 8.582 -0.335 25576 4428 1 9 . 1 1 11 11 GLU N N 11 122.975 122.975 125.369 -2.394 25576 4429 1 9 . 1 1 11 11 GLU HA H 11 4.237 4.237 4.458 -0.221 25576 4430 1 9 . 1 1 11 11 GLU C C 11 175.920 175.920 175.697 0.223 25576 4431 1 9 . 1 1 11 11 GLU CA C 11 56.779 56.779 55.624 1.155 25576 4432 1 9 . 1 1 11 11 GLU CB C 11 29.869 29.869 31.975 -2.106 25576 4433 1 9 . 1 1 11 11 GLU H H 11 8.355 8.355 7.798 0.557 25576 4434 1 9 . 1 1 12 12 ASP N N 12 122.117 122.117 123.213 -1.096 25576 4435 1 9 . 1 1 12 12 ASP HA H 12 4.562 4.562 4.551 0.011 25576 4436 1 9 . 1 1 12 12 ASP C C 12 176.402 176.402 177.294 -0.892 25576 4437 1 9 . 1 1 12 12 ASP CA C 12 54.224 54.224 55.036 -0.812 25576 4438 1 9 . 1 1 12 12 ASP CB C 12 41.161 41.161 41.110 0.051 25576 4439 1 9 . 1 1 12 12 ASP H H 12 8.411 8.411 8.607 -0.196 25576 4440 1 9 . 1 1 13 13 LEU N N 13 123.695 123.695 119.479 4.216 25576 4441 1 9 . 1 1 13 13 LEU HA H 13 4.306 4.306 4.161 0.145 25576 4442 1 9 . 1 1 13 13 LEU C C 13 178.231 178.231 177.174 1.057 25576 4443 1 9 . 1 1 13 13 LEU CA C 13 55.384 55.384 55.578 -0.194 25576 4444 1 9 . 1 1 13 13 LEU CB C 13 42.132 42.132 42.329 -0.197 25576 4445 1 9 . 1 1 13 13 LEU H H 13 8.391 8.391 7.661 0.730 25576 4446 1 9 . 1 1 14 14 GLY N N 14 108.928 108.928 106.600 2.328 25576 4447 1 9 . 1 1 14 14 GLY C C 14 174.014 174.014 173.897 0.117 25576 4448 1 9 . 1 1 14 14 GLY CA C 14 45.600 45.600 44.606 0.994 25576 4449 1 9 . 1 1 14 14 GLY H H 14 8.456 8.456 8.198 0.258 25576 4450 1 9 . 1 1 15 15 ASP N N 15 120.427 120.427 121.875 -1.448 25576 4451 1 9 . 1 1 15 15 ASP HA H 15 4.544 4.544 4.501 0.043 25576 4452 1 9 . 1 1 15 15 ASP C C 15 176.810 176.810 176.473 0.337 25576 4453 1 9 . 1 1 15 15 ASP CA C 15 54.389 54.389 54.330 0.059 25576 4454 1 9 . 1 1 15 15 ASP CB C 15 41.153 41.153 41.999 -0.847 25576 4455 1 9 . 1 1 15 15 ASP H H 15 8.207 8.207 8.323 -0.116 25576 4456 1 9 . 1 1 16 16 LYS N N 16 121.257 121.257 124.630 -3.373 25576 4457 1 9 . 1 1 16 16 LYS HA H 16 4.269 4.269 4.416 -0.147 25576 4458 1 9 . 1 1 16 16 LYS C C 16 176.470 176.470 176.791 -0.321 25576 4459 1 9 . 1 1 16 16 LYS CA C 16 56.579 56.579 55.339 1.240 25576 4460 1 9 . 1 1 16 16 LYS CB C 16 29.470 29.470 33.004 -3.534 25576 4461 1 9 . 1 1 16 16 LYS H H 16 8.302 8.302 8.368 -0.066 25576 4462 1 9 . 1 1 17 17 LYS N N 17 122.205 122.205 121.894 0.311 25576 4463 1 9 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.265 0.002 25576 4464 1 9 . 1 1 17 17 LYS C C 17 176.837 176.837 176.440 0.397 25576 4465 1 9 . 1 1 17 17 LYS CA C 17 56.177 56.177 56.281 -0.104 25576 4466 1 9 . 1 1 17 17 LYS CB C 17 32.684 32.684 33.365 -0.681 25576 4467 1 9 . 1 1 17 17 LYS H H 17 8.383 8.383 8.217 0.166 25576 4468 1 9 . 1 1 18 18 GLU N N 18 121.859 121.859 119.784 2.075 25576 4469 1 9 . 1 1 18 18 GLU HA H 18 4.252 4.252 4.390 -0.138 25576 4470 1 9 . 1 1 18 18 GLU C C 18 176.964 176.964 177.065 -0.101 25576 4471 1 9 . 1 1 18 18 GLU CA C 18 57.094 57.094 58.256 -1.162 25576 4472 1 9 . 1 1 18 18 GLU CB C 18 30.261 30.261 29.386 0.875 25576 4473 1 9 . 1 1 18 18 GLU H H 18 8.497 8.497 8.448 0.049 25576 4474 1 9 . 1 1 19 19 GLY N N 19 109.716 109.716 111.482 -1.766 25576 4475 1 9 . 1 1 19 19 GLY C C 19 173.520 173.520 173.950 -0.430 25576 4476 1 9 . 1 1 19 19 GLY CA C 19 45.386 45.386 45.103 0.283 25576 4477 1 9 . 1 1 19 19 GLY H H 19 8.447 8.447 8.599 -0.152 25576 4478 1 9 . 1 1 20 20 GLU N N 20 119.640 119.640 119.410 0.230 25576 4479 1 9 . 1 1 20 20 GLU HA H 20 4.255 4.255 4.492 -0.237 25576 4480 1 9 . 1 1 20 20 GLU C C 20 175.453 175.453 175.268 0.185 25576 4481 1 9 . 1 1 20 20 GLU CA C 20 56.726 56.726 54.869 1.857 25576 4482 1 9 . 1 1 20 20 GLU CB C 20 30.806 30.806 29.204 1.602 25576 4483 1 9 . 1 1 20 20 GLU H H 20 8.227 8.227 8.655 -0.428 25576 4484 1 9 . 1 1 21 21 TYR N N 21 119.301 119.301 117.470 1.831 25576 4485 1 9 . 1 1 21 21 TYR HA H 21 5.083 5.083 5.269 -0.186 25576 4486 1 9 . 1 1 21 21 TYR C C 21 175.805 175.805 174.536 1.269 25576 4487 1 9 . 1 1 21 21 TYR CA C 21 57.427 57.427 55.925 1.502 25576 4488 1 9 . 1 1 21 21 TYR CB C 21 41.620 41.620 40.634 0.986 25576 4489 1 9 . 1 1 21 21 TYR H H 21 8.367 8.367 7.141 1.226 25576 4490 1 9 . 1 1 22 22 ILE N N 22 116.642 116.642 116.987 -0.345 25576 4491 1 9 . 1 1 22 22 ILE HA H 22 4.787 4.787 4.647 0.140 25576 4492 1 9 . 1 1 22 22 ILE C C 22 173.467 173.467 174.814 -1.347 25576 4493 1 9 . 1 1 22 22 ILE CA C 22 59.685 59.685 59.434 0.251 25576 4494 1 9 . 1 1 22 22 ILE CB C 22 42.383 42.383 41.069 1.314 25576 4495 1 9 . 1 1 22 22 ILE H H 22 9.151 9.151 8.818 0.333 25576 4496 1 9 . 1 1 23 23 LYS N N 23 124.306 124.306 119.226 5.080 25576 4497 1 9 . 1 1 23 23 LYS HA H 23 5.289 5.289 5.114 0.175 25576 4498 1 9 . 1 1 23 23 LYS C C 23 175.553 175.553 175.666 -0.113 25576 4499 1 9 . 1 1 23 23 LYS CA C 23 55.629 55.629 55.495 0.135 25576 4500 1 9 . 1 1 23 23 LYS CB C 23 33.744 33.744 34.643 -0.899 25576 4501 1 9 . 1 1 23 23 LYS H H 23 8.623 8.623 8.253 0.370 25576 4502 1 9 . 1 1 24 24 LEU N N 24 124.177 124.177 121.232 2.945 25576 4503 1 9 . 1 1 24 24 LEU HA H 24 4.974 4.974 5.127 -0.153 25576 4504 1 9 . 1 1 24 24 LEU C C 24 175.910 175.910 174.464 1.446 25576 4505 1 9 . 1 1 24 24 LEU CA C 24 52.835 52.835 54.099 -1.264 25576 4506 1 9 . 1 1 24 24 LEU CB C 24 46.661 46.661 47.308 -0.647 25576 4507 1 9 . 1 1 24 24 LEU H H 24 8.940 8.940 8.862 0.078 25576 4508 1 9 . 1 1 25 25 LYS N N 25 120.635 120.635 120.016 0.619 25576 4509 1 9 . 1 1 25 25 LYS HA H 25 4.714 4.714 4.667 0.047 25576 4510 1 9 . 1 1 25 25 LYS C C 25 174.125 174.125 173.931 0.194 25576 4511 1 9 . 1 1 25 25 LYS CA C 25 55.122 55.122 53.933 1.189 25576 4512 1 9 . 1 1 25 25 LYS CB C 25 34.919 34.919 36.614 -1.695 25576 4513 1 9 . 1 1 25 25 LYS H H 25 8.621 8.621 8.427 0.194 25576 4514 1 9 . 1 1 26 26 VAL N N 26 124.130 124.130 123.710 0.420 25576 4515 1 9 . 1 1 26 26 VAL HA H 26 5.043 5.043 4.633 0.410 25576 4516 1 9 . 1 1 26 26 VAL C C 26 176.195 176.195 174.118 2.077 25576 4517 1 9 . 1 1 26 26 VAL CA C 26 61.193 61.193 60.185 1.008 25576 4518 1 9 . 1 1 26 26 VAL CB C 26 32.270 32.270 35.560 -3.290 25576 4519 1 9 . 1 1 26 26 VAL H H 26 9.113 9.113 8.738 0.375 25576 4520 1 9 . 1 1 27 27 ILE N N 27 128.245 128.245 126.418 1.827 25576 4521 1 9 . 1 1 27 27 ILE HA H 27 5.012 5.012 4.365 0.647 25576 4522 1 9 . 1 1 27 27 ILE C C 27 175.976 175.976 175.073 0.903 25576 4523 1 9 . 1 1 27 27 ILE CA C 27 59.910 59.910 58.559 1.351 25576 4524 1 9 . 1 1 27 27 ILE CB C 27 39.851 39.851 36.992 2.859 25576 4525 1 9 . 1 1 27 27 ILE H H 27 9.063 9.063 8.317 0.746 25576 4526 1 9 . 1 1 28 28 GLY N N 28 113.332 113.332 112.924 0.408 25576 4527 1 9 . 1 1 28 28 GLY C C 28 175.505 175.505 175.613 -0.108 25576 4528 1 9 . 1 1 28 28 GLY CA C 28 43.958 43.958 44.502 -0.544 25576 4529 1 9 . 1 1 28 28 GLY H H 28 8.485 8.485 8.498 -0.013 25576 4530 1 9 . 1 1 29 29 GLN N N 29 120.493 120.493 118.697 1.796 25576 4531 1 9 . 1 1 29 29 GLN HA H 29 4.113 4.113 4.003 0.110 25576 4532 1 9 . 1 1 29 29 GLN C C 29 176.003 176.003 177.095 -1.092 25576 4533 1 9 . 1 1 29 29 GLN CA C 29 57.808 57.808 57.877 -0.069 25576 4534 1 9 . 1 1 29 29 GLN CB C 29 28.735 28.735 28.511 0.224 25576 4535 1 9 . 1 1 29 29 GLN H H 29 8.768 8.768 8.940 -0.172 25576 4536 1 9 . 1 1 30 30 ASP N N 30 118.342 118.342 117.558 0.784 25576 4537 1 9 . 1 1 30 30 ASP HA H 30 4.537 4.537 4.748 -0.211 25576 4538 1 9 . 1 1 30 30 ASP C C 30 176.461 176.461 175.605 0.856 25576 4539 1 9 . 1 1 30 30 ASP CA C 30 53.271 53.271 52.998 0.273 25576 4540 1 9 . 1 1 30 30 ASP CB C 30 39.867 39.867 41.399 -1.532 25576 4541 1 9 . 1 1 30 30 ASP H H 30 8.335 8.335 8.072 0.263 25576 4542 1 9 . 1 1 31 31 SER N N 31 111.069 111.069 113.761 -2.692 25576 4543 1 9 . 1 1 31 31 SER HA H 31 4.044 4.044 4.148 -0.104 25576 4544 1 9 . 1 1 31 31 SER C C 31 173.554 173.554 173.456 0.098 25576 4545 1 9 . 1 1 31 31 SER CA C 31 60.529 60.529 59.251 1.278 25576 4546 1 9 . 1 1 31 31 SER CB C 31 62.268 62.268 61.648 0.620 25576 4547 1 9 . 1 1 31 31 SER H H 31 7.997 7.997 8.318 -0.321 25576 4548 1 9 . 1 1 32 32 SER N N 32 117.489 117.489 117.118 0.371 25576 4549 1 9 . 1 1 32 32 SER HA H 32 4.380 4.380 4.377 0.003 25576 4550 1 9 . 1 1 32 32 SER C C 32 173.550 173.550 174.363 -0.813 25576 4551 1 9 . 1 1 32 32 SER CA C 32 58.590 58.590 58.895 -0.305 25576 4552 1 9 . 1 1 32 32 SER CB C 32 64.008 64.008 62.443 1.565 25576 4553 1 9 . 1 1 32 32 SER H H 32 8.081 8.081 7.839 0.242 25576 4554 1 9 . 1 1 33 33 GLU N N 33 121.738 121.738 127.247 -5.509 25576 4555 1 9 . 1 1 33 33 GLU HA H 33 5.131 5.131 5.236 -0.105 25576 4556 1 9 . 1 1 33 33 GLU C C 33 175.317 175.317 176.032 -0.715 25576 4557 1 9 . 1 1 33 33 GLU CA C 33 55.212 55.212 55.918 -0.706 25576 4558 1 9 . 1 1 33 33 GLU CB C 33 32.596 32.596 30.145 2.451 25576 4559 1 9 . 1 1 33 33 GLU H H 33 8.616 8.616 8.081 0.535 25576 4560 1 9 . 1 1 34 34 ILE N N 34 124.389 124.389 125.212 -0.823 25576 4561 1 9 . 1 1 34 34 ILE HA H 34 4.359 4.359 4.512 -0.153 25576 4562 1 9 . 1 1 34 34 ILE C C 34 174.612 174.612 175.041 -0.429 25576 4563 1 9 . 1 1 34 34 ILE CA C 34 60.266 60.266 59.359 0.907 25576 4564 1 9 . 1 1 34 34 ILE CB C 34 40.906 40.906 39.974 0.932 25576 4565 1 9 . 1 1 34 34 ILE H H 34 8.670 8.670 8.371 0.299 25576 4566 1 9 . 1 1 35 35 HIS N N 35 125.683 125.683 124.461 1.222 25576 4567 1 9 . 1 1 35 35 HIS HA H 35 5.597 5.597 4.830 0.767 25576 4568 1 9 . 1 1 35 35 HIS C C 35 174.902 174.902 174.663 0.239 25576 4569 1 9 . 1 1 35 35 HIS CA C 35 54.765 54.765 53.971 0.794 25576 4570 1 9 . 1 1 35 35 HIS CB C 35 32.411 32.411 32.786 -0.375 25576 4571 1 9 . 1 1 35 35 HIS H H 35 8.699 8.699 8.624 0.075 25576 4572 1 9 . 1 1 36 36 PHE N N 36 119.920 119.920 120.575 -0.655 25576 4573 1 9 . 1 1 36 36 PHE HA H 36 4.949 4.949 4.948 0.001 25576 4574 1 9 . 1 1 36 36 PHE C C 36 174.000 174.000 173.615 0.385 25576 4575 1 9 . 1 1 36 36 PHE CA C 36 57.003 57.003 56.192 0.811 25576 4576 1 9 . 1 1 36 36 PHE CB C 36 44.431 44.431 40.884 3.547 25576 4577 1 9 . 1 1 36 36 PHE H H 36 9.103 9.103 8.225 0.878 25576 4578 1 9 . 1 1 37 37 LYS N N 37 123.747 123.747 122.320 1.427 25576 4579 1 9 . 1 1 37 37 LYS HA H 37 4.294 4.294 5.181 -0.887 25576 4580 1 9 . 1 1 37 37 LYS C C 37 176.145 176.145 175.075 1.070 25576 4581 1 9 . 1 1 37 37 LYS CA C 37 55.448 55.448 55.386 0.062 25576 4582 1 9 . 1 1 37 37 LYS CB C 37 33.467 33.467 33.184 0.283 25576 4583 1 9 . 1 1 37 37 LYS H H 37 8.787 8.787 8.509 0.278 25576 4584 1 9 . 1 1 38 38 VAL N N 38 119.736 119.736 117.554 2.182 25576 4585 1 9 . 1 1 38 38 VAL HA H 38 4.957 4.957 4.580 0.377 25576 4586 1 9 . 1 1 38 38 VAL C C 38 174.245 174.245 173.998 0.247 25576 4587 1 9 . 1 1 38 38 VAL CA C 38 58.935 58.935 59.275 -0.340 25576 4588 1 9 . 1 1 38 38 VAL CB C 38 35.429 35.429 35.163 0.265 25576 4589 1 9 . 1 1 38 38 VAL H H 38 9.138 9.138 8.772 0.366 25576 4590 1 9 . 1 1 39 39 LYS N N 39 122.359 122.359 121.546 0.813 25576 4591 1 9 . 1 1 39 39 LYS HA H 39 3.837 3.837 4.436 -0.599 25576 4592 1 9 . 1 1 39 39 LYS C C 39 179.383 179.383 177.553 1.830 25576 4593 1 9 . 1 1 39 39 LYS CA C 39 56.814 56.814 56.435 0.379 25576 4594 1 9 . 1 1 39 39 LYS CB C 39 30.576 30.576 33.751 -3.175 25576 4595 1 9 . 1 1 39 39 LYS H H 39 8.611 8.611 8.408 0.203 25576 4596 1 9 . 1 1 40 40 MET N N 40 119.929 119.929 120.523 -0.594 25576 4597 1 9 . 1 1 40 40 MET HA H 40 4.103 4.103 4.355 -0.252 25576 4598 1 9 . 1 1 40 40 MET C C 40 176.546 176.546 177.448 -0.902 25576 4599 1 9 . 1 1 40 40 MET CA C 40 57.320 57.320 59.107 -1.787 25576 4600 1 9 . 1 1 40 40 MET CB C 40 30.903 30.903 32.793 -1.890 25576 4601 1 9 . 1 1 40 40 MET H H 40 8.562 8.562 9.237 -0.675 25576 4602 1 9 . 1 1 41 41 THR N N 41 100.263 100.263 108.845 -8.582 25576 4603 1 9 . 1 1 41 41 THR HA H 41 4.349 4.349 4.336 0.013 25576 4604 1 9 . 1 1 41 41 THR C C 41 174.506 174.506 174.573 -0.067 25576 4605 1 9 . 1 1 41 41 THR CA C 41 60.147 60.147 61.002 -0.855 25576 4606 1 9 . 1 1 41 41 THR CB C 41 68.836 68.836 68.575 0.261 25576 4607 1 9 . 1 1 41 41 THR H H 41 6.974 6.974 8.037 -1.063 25576 4608 1 9 . 1 1 42 42 THR N N 42 120.616 120.616 116.792 3.824 25576 4609 1 9 . 1 1 42 42 THR HA H 42 4.187 4.187 4.393 -0.206 25576 4610 1 9 . 1 1 42 42 THR C C 42 174.052 174.052 173.533 0.519 25576 4611 1 9 . 1 1 42 42 THR CA C 42 63.153 63.153 61.361 1.792 25576 4612 1 9 . 1 1 42 42 THR CB C 42 69.645 69.645 70.730 -1.085 25576 4613 1 9 . 1 1 42 42 THR H H 42 7.192 7.192 7.274 -0.082 25576 4614 1 9 . 1 1 43 43 HIS N N 43 126.236 126.236 121.646 4.590 25576 4615 1 9 . 1 1 43 43 HIS HA H 43 4.411 4.411 4.530 -0.119 25576 4616 1 9 . 1 1 43 43 HIS C C 43 178.431 178.431 176.711 1.720 25576 4617 1 9 . 1 1 43 43 HIS CA C 43 57.366 57.366 56.226 1.140 25576 4618 1 9 . 1 1 43 43 HIS CB C 43 30.155 30.155 30.923 -0.768 25576 4619 1 9 . 1 1 43 43 HIS H H 43 8.807 8.807 8.603 0.204 25576 4620 1 9 . 1 1 44 44 LEU N N 44 124.757 124.757 125.038 -0.281 25576 4621 1 9 . 1 1 44 44 LEU HA H 44 3.983 3.983 4.156 -0.173 25576 4622 1 9 . 1 1 44 44 LEU C C 44 177.051 177.051 177.933 -0.882 25576 4623 1 9 . 1 1 44 44 LEU CA C 44 58.790 58.790 55.554 3.236 25576 4624 1 9 . 1 1 44 44 LEU CB C 44 41.240 41.240 41.175 0.065 25576 4625 1 9 . 1 1 44 44 LEU H H 44 9.349 9.349 8.963 0.386 25576 4626 1 9 . 1 1 45 45 LYS N N 45 121.424 121.424 119.133 2.291 25576 4627 1 9 . 1 1 45 45 LYS HA H 45 3.584 3.584 3.855 -0.271 25576 4628 1 9 . 1 1 45 45 LYS C C 45 176.867 176.867 178.120 -1.253 25576 4629 1 9 . 1 1 45 45 LYS CA C 45 60.662 60.662 59.169 1.493 25576 4630 1 9 . 1 1 45 45 LYS CB C 45 33.389 33.389 31.223 2.167 25576 4631 1 9 . 1 1 45 45 LYS H H 45 8.543 8.543 7.646 0.897 25576 4632 1 9 . 1 1 46 46 LYS N N 46 114.033 114.033 118.669 -4.636 25576 4633 1 9 . 1 1 46 46 LYS HA H 46 4.087 4.087 4.140 -0.053 25576 4634 1 9 . 1 1 46 46 LYS C C 46 178.977 178.977 178.815 0.162 25576 4635 1 9 . 1 1 46 46 LYS CA C 46 58.615 58.615 58.701 -0.086 25576 4636 1 9 . 1 1 46 46 LYS CB C 46 31.643 31.643 31.931 -0.288 25576 4637 1 9 . 1 1 46 46 LYS H H 46 7.517 7.517 7.598 -0.081 25576 4638 1 9 . 1 1 47 47 LEU N N 47 121.871 121.871 121.540 0.331 25576 4639 1 9 . 1 1 47 47 LEU HA H 47 3.660 3.660 3.795 -0.135 25576 4640 1 9 . 1 1 47 47 LEU C C 47 177.575 177.575 178.066 -0.491 25576 4641 1 9 . 1 1 47 47 LEU CA C 47 58.514 58.514 57.480 1.034 25576 4642 1 9 . 1 1 47 47 LEU CB C 47 41.890 41.890 41.709 0.181 25576 4643 1 9 . 1 1 47 47 LEU H H 47 6.739 6.739 7.254 -0.515 25576 4644 1 9 . 1 1 48 48 LYS N N 48 118.246 118.246 119.051 -0.805 25576 4645 1 9 . 1 1 48 48 LYS HA H 48 3.081 3.081 4.057 -0.976 25576 4646 1 9 . 1 1 48 48 LYS C C 48 178.700 178.700 179.041 -0.341 25576 4647 1 9 . 1 1 48 48 LYS CA C 48 59.712 59.712 60.276 -0.564 25576 4648 1 9 . 1 1 48 48 LYS CB C 48 32.411 32.411 31.928 0.483 25576 4649 1 9 . 1 1 48 48 LYS H H 48 7.556 7.556 8.194 -0.638 25576 4650 1 9 . 1 1 49 49 GLU N N 49 118.092 118.092 117.587 0.505 25576 4651 1 9 . 1 1 49 49 GLU HA H 49 3.973 3.973 3.883 0.090 25576 4652 1 9 . 1 1 49 49 GLU C C 49 179.453 179.453 178.316 1.137 25576 4653 1 9 . 1 1 49 49 GLU CA C 49 59.627 59.627 59.116 0.511 25576 4654 1 9 . 1 1 49 49 GLU CB C 49 30.120 30.120 28.746 1.374 25576 4655 1 9 . 1 1 49 49 GLU H H 49 8.500 8.500 8.221 0.279 25576 4656 1 9 . 1 1 50 50 SER N N 50 115.646 115.646 116.807 -1.161 25576 4657 1 9 . 1 1 50 50 SER HA H 50 4.260 4.260 4.168 0.092 25576 4658 1 9 . 1 1 50 50 SER C C 50 177.171 177.171 176.826 0.345 25576 4659 1 9 . 1 1 50 50 SER CA C 50 61.947 61.947 61.199 0.748 25576 4660 1 9 . 1 1 50 50 SER CB C 50 63.258 63.258 63.228 0.030 25576 4661 1 9 . 1 1 50 50 SER H H 50 7.966 7.966 7.596 0.370 25576 4662 1 9 . 1 1 51 51 TYR N N 51 122.610 122.610 119.498 3.112 25576 4663 1 9 . 1 1 51 51 TYR HA H 51 4.026 4.026 4.480 -0.454 25576 4664 1 9 . 1 1 51 51 TYR C C 51 177.374 177.374 177.240 0.134 25576 4665 1 9 . 1 1 51 51 TYR CA C 51 63.608 63.608 59.759 3.849 25576 4666 1 9 . 1 1 51 51 TYR CB C 51 38.618 38.618 37.634 0.984 25576 4667 1 9 . 1 1 51 51 TYR H H 51 8.833 8.833 8.112 0.721 25576 4668 1 9 . 1 1 52 52 CYS N N 52 117.395 117.395 119.647 -2.252 25576 4669 1 9 . 1 1 52 52 CYS HA H 52 3.915 3.915 3.746 0.169 25576 4670 1 9 . 1 1 52 52 CYS C C 52 177.182 177.182 176.529 0.653 25576 4671 1 9 . 1 1 52 52 CYS CA C 52 65.108 65.108 64.527 0.581 25576 4672 1 9 . 1 1 52 52 CYS CB C 52 26.151 26.151 27.145 -0.994 25576 4673 1 9 . 1 1 52 52 CYS H H 52 8.676 8.676 7.466 1.210 25576 4674 1 9 . 1 1 53 53 GLN N N 53 119.196 119.196 118.887 0.309 25576 4675 1 9 . 1 1 53 53 GLN HA H 53 4.109 4.109 3.989 0.120 25576 4676 1 9 . 1 1 53 53 GLN C C 53 179.105 179.105 178.228 0.877 25576 4677 1 9 . 1 1 53 53 GLN CA C 53 58.973 58.973 58.310 0.663 25576 4678 1 9 . 1 1 53 53 GLN CB C 53 28.211 28.211 27.968 0.243 25576 4679 1 9 . 1 1 53 53 GLN H H 53 8.322 8.322 7.968 0.354 25576 4680 1 9 . 1 1 54 54 ARG N N 54 120.139 120.139 119.988 0.151 25576 4681 1 9 . 1 1 54 54 ARG HA H 54 4.018 4.018 4.125 -0.107 25576 4682 1 9 . 1 1 54 54 ARG C C 54 178.300 178.300 178.598 -0.298 25576 4683 1 9 . 1 1 54 54 ARG CA C 54 58.552 58.552 58.367 0.185 25576 4684 1 9 . 1 1 54 54 ARG CB C 54 29.669 29.669 29.899 -0.230 25576 4685 1 9 . 1 1 54 54 ARG H H 54 8.011 8.011 7.734 0.277 25576 4686 1 9 . 1 1 55 55 GLN N N 55 114.160 114.160 116.510 -2.350 25576 4687 1 9 . 1 1 55 55 GLN HA H 55 4.251 4.251 4.344 -0.093 25576 4688 1 9 . 1 1 55 55 GLN C C 55 176.410 176.410 176.809 -0.399 25576 4689 1 9 . 1 1 55 55 GLN CA C 55 55.119 55.119 56.532 -1.413 25576 4690 1 9 . 1 1 55 55 GLN CB C 55 29.424 29.424 29.319 0.105 25576 4691 1 9 . 1 1 55 55 GLN H H 55 7.806 7.806 7.827 -0.021 25576 4692 1 9 . 1 1 56 56 GLY N N 56 109.749 109.749 107.507 2.242 25576 4693 1 9 . 1 1 56 56 GLY C C 56 174.908 174.908 174.054 0.854 25576 4694 1 9 . 1 1 56 56 GLY CA C 56 46.658 46.658 45.284 1.374 25576 4695 1 9 . 1 1 56 56 GLY H H 56 7.932 7.932 7.716 0.216 25576 4696 1 9 . 1 1 57 57 VAL N N 57 111.990 111.990 115.478 -3.488 25576 4697 1 9 . 1 1 57 57 VAL HA H 57 4.941 4.941 4.684 0.257 25576 4698 1 9 . 1 1 57 57 VAL CA C 57 57.534 57.534 58.077 -0.543 25576 4699 1 9 . 1 1 57 57 VAL CB C 57 32.697 32.697 33.784 -1.087 25576 4700 1 9 . 1 1 57 57 VAL H H 57 7.651 7.651 7.589 0.062 25576 4701 1 9 . 1 1 58 58 PRO HA H 58 4.528 4.528 4.632 -0.104 25576 4702 1 9 . 1 1 58 58 PRO C C 58 179.169 179.169 177.057 2.112 25576 4703 1 9 . 1 1 58 58 PRO CA C 58 62.211 62.211 62.808 -0.597 25576 4704 1 9 . 1 1 58 58 PRO CB C 58 32.543 32.543 32.668 -0.125 25576 4705 1 9 . 1 1 59 59 MET N N 59 124.522 124.522 118.955 5.567 25576 4706 1 9 . 1 1 59 59 MET HA H 59 4.703 4.703 4.184 0.519 25576 4707 1 9 . 1 1 59 59 MET C C 59 177.459 177.459 175.939 1.520 25576 4708 1 9 . 1 1 59 59 MET CA C 59 58.247 58.247 57.845 0.402 25576 4709 1 9 . 1 1 59 59 MET CB C 59 32.795 32.795 32.438 0.357 25576 4710 1 9 . 1 1 59 59 MET H H 59 9.002 9.002 8.547 0.455 25576 4711 1 9 . 1 1 60 60 ASN N N 60 113.185 113.185 112.413 0.772 25576 4712 1 9 . 1 1 60 60 ASN HA H 60 4.673 4.673 4.640 0.033 25576 4713 1 9 . 1 1 60 60 ASN C C 60 175.674 175.674 175.963 -0.289 25576 4714 1 9 . 1 1 60 60 ASN CA C 60 53.935 53.935 54.119 -0.184 25576 4715 1 9 . 1 1 60 60 ASN CB C 60 37.217 37.217 38.386 -1.169 25576 4716 1 9 . 1 1 60 60 ASN H H 60 8.424 8.424 8.146 0.278 25576 4717 1 9 . 1 1 61 61 SER N N 61 113.092 113.092 115.004 -1.912 25576 4718 1 9 . 1 1 61 61 SER HA H 61 4.500 4.500 4.498 0.002 25576 4719 1 9 . 1 1 61 61 SER C C 61 173.455 173.455 173.454 0.001 25576 4720 1 9 . 1 1 61 61 SER CA C 61 59.609 59.609 60.489 -0.880 25576 4721 1 9 . 1 1 61 61 SER CB C 61 64.812 64.812 64.560 0.252 25576 4722 1 9 . 1 1 61 61 SER H H 61 7.931 7.931 7.714 0.217 25576 4723 1 9 . 1 1 62 62 LEU N N 62 120.961 120.961 117.336 3.625 25576 4724 1 9 . 1 1 62 62 LEU HA H 62 5.109 5.109 4.996 0.113 25576 4725 1 9 . 1 1 62 62 LEU C C 62 175.588 175.588 175.430 0.158 25576 4726 1 9 . 1 1 62 62 LEU CA C 62 53.575 53.575 52.886 0.689 25576 4727 1 9 . 1 1 62 62 LEU CB C 62 46.262 46.262 44.402 1.860 25576 4728 1 9 . 1 1 62 62 LEU H H 62 7.265 7.265 7.204 0.061 25576 4729 1 9 . 1 1 63 63 ARG N N 63 120.142 120.142 119.385 0.757 25576 4730 1 9 . 1 1 63 63 ARG HA H 63 4.668 4.668 4.371 0.297 25576 4731 1 9 . 1 1 63 63 ARG C C 63 172.784 172.784 174.964 -2.180 25576 4732 1 9 . 1 1 63 63 ARG CA C 63 54.488 54.488 54.551 -0.063 25576 4733 1 9 . 1 1 63 63 ARG CB C 63 33.111 33.111 32.447 0.664 25576 4734 1 9 . 1 1 63 63 ARG H H 63 8.993 8.993 8.879 0.114 25576 4735 1 9 . 1 1 64 64 PHE N N 64 122.537 122.537 122.663 -0.126 25576 4736 1 9 . 1 1 64 64 PHE HA H 64 4.959 4.959 5.484 -0.525 25576 4737 1 9 . 1 1 64 64 PHE C C 64 174.150 174.150 174.429 -0.279 25576 4738 1 9 . 1 1 64 64 PHE CA C 64 56.347 56.347 54.839 1.508 25576 4739 1 9 . 1 1 64 64 PHE CB C 64 40.762 40.762 39.291 1.471 25576 4740 1 9 . 1 1 64 64 PHE H H 64 8.923 8.923 8.051 0.872 25576 4741 1 9 . 1 1 65 65 LEU N N 65 124.212 124.212 120.051 4.161 25576 4742 1 9 . 1 1 65 65 LEU HA H 65 5.290 5.290 5.678 -0.388 25576 4743 1 9 . 1 1 65 65 LEU C C 65 175.903 175.903 174.380 1.523 25576 4744 1 9 . 1 1 65 65 LEU CA C 65 53.729 53.729 53.536 0.193 25576 4745 1 9 . 1 1 65 65 LEU CB C 65 46.385 46.385 46.225 0.160 25576 4746 1 9 . 1 1 65 65 LEU H H 65 9.738 9.738 9.255 0.483 25576 4747 1 9 . 1 1 66 66 PHE N N 66 119.384 119.384 121.561 -2.177 25576 4748 1 9 . 1 1 66 66 PHE HA H 66 5.202 5.202 4.997 0.205 25576 4749 1 9 . 1 1 66 66 PHE C C 66 175.017 175.017 174.786 0.231 25576 4750 1 9 . 1 1 66 66 PHE CA C 66 56.291 56.291 57.229 -0.938 25576 4751 1 9 . 1 1 66 66 PHE CB C 66 41.700 41.700 42.652 -0.952 25576 4752 1 9 . 1 1 66 66 PHE H H 66 8.968 8.968 9.074 -0.106 25576 4753 1 9 . 1 1 67 67 GLU N N 67 129.196 129.196 125.175 4.021 25576 4754 1 9 . 1 1 67 67 GLU HA H 67 3.540 3.540 3.596 -0.056 25576 4755 1 9 . 1 1 67 67 GLU C C 67 176.778 176.778 176.075 0.703 25576 4756 1 9 . 1 1 67 67 GLU CA C 67 56.769 56.769 56.797 -0.028 25576 4757 1 9 . 1 1 67 67 GLU CB C 67 26.897 26.897 27.320 -0.423 25576 4758 1 9 . 1 1 67 67 GLU H H 67 9.381 9.381 8.779 0.602 25576 4759 1 9 . 1 1 68 68 GLY N N 68 103.263 103.263 104.890 -1.627 25576 4760 1 9 . 1 1 68 68 GLY C C 68 173.651 173.651 173.281 0.370 25576 4761 1 9 . 1 1 68 68 GLY CA C 68 45.476 45.476 44.944 0.532 25576 4762 1 9 . 1 1 68 68 GLY H H 68 8.858 8.858 8.288 0.570 25576 4763 1 9 . 1 1 69 69 GLN N N 69 120.732 120.732 119.275 1.457 25576 4764 1 9 . 1 1 69 69 GLN HA H 69 4.589 4.589 4.702 -0.113 25576 4765 1 9 . 1 1 69 69 GLN C C 69 175.204 175.204 174.709 0.495 25576 4766 1 9 . 1 1 69 69 GLN CA C 69 53.776 53.776 54.108 -0.332 25576 4767 1 9 . 1 1 69 69 GLN CB C 69 30.660 30.660 31.622 -0.962 25576 4768 1 9 . 1 1 69 69 GLN H H 69 7.996 7.996 8.093 -0.097 25576 4769 1 9 . 1 1 70 70 ARG N N 70 125.102 125.102 125.279 -0.177 25576 4770 1 9 . 1 1 70 70 ARG HA H 70 4.395 4.395 4.701 -0.306 25576 4771 1 9 . 1 1 70 70 ARG C C 70 177.004 177.004 175.564 1.440 25576 4772 1 9 . 1 1 70 70 ARG CA C 70 57.305 57.305 55.421 1.884 25576 4773 1 9 . 1 1 70 70 ARG CB C 70 30.511 30.511 30.745 -0.234 25576 4774 1 9 . 1 1 70 70 ARG H H 70 8.823 8.823 8.812 0.011 25576 4775 1 9 . 1 1 71 71 ILE N N 71 126.949 126.949 123.691 3.258 25576 4776 1 9 . 1 1 71 71 ILE HA H 71 4.477 4.477 4.407 0.070 25576 4777 1 9 . 1 1 71 71 ILE C C 71 176.145 176.145 174.945 1.200 25576 4778 1 9 . 1 1 71 71 ILE CA C 71 61.337 61.337 59.508 1.829 25576 4779 1 9 . 1 1 71 71 ILE CB C 71 39.067 39.067 36.176 2.891 25576 4780 1 9 . 1 1 71 71 ILE H H 71 9.020 9.020 8.786 0.234 25576 4781 1 9 . 1 1 72 72 ALA N N 72 139.307 139.307 129.685 9.622 25576 4782 1 9 . 1 1 72 72 ALA HA H 72 4.334 4.334 4.340 -0.006 25576 4783 1 9 . 1 1 72 72 ALA C C 72 177.973 177.973 178.253 -0.280 25576 4784 1 9 . 1 1 72 72 ALA CA C 72 50.785 50.785 50.232 0.553 25576 4785 1 9 . 1 1 72 72 ALA CB C 72 18.407 18.407 20.502 -2.095 25576 4786 1 9 . 1 1 72 72 ALA H H 72 10.910 10.910 8.003 2.907 25576 4787 1 9 . 1 1 73 73 ASP N N 73 120.493 120.493 119.723 0.770 25576 4788 1 9 . 1 1 73 73 ASP HA H 73 3.823 3.823 4.210 -0.387 25576 4789 1 9 . 1 1 73 73 ASP C C 73 176.104 176.104 176.664 -0.560 25576 4790 1 9 . 1 1 73 73 ASP CA C 73 57.113 57.113 57.117 -0.004 25576 4791 1 9 . 1 1 73 73 ASP CB C 73 40.032 40.032 40.698 -0.666 25576 4792 1 9 . 1 1 73 73 ASP H H 73 8.770 8.770 8.631 0.139 25576 4793 1 9 . 1 1 74 74 ASN N N 74 109.526 109.526 114.409 -4.883 25576 4794 1 9 . 1 1 74 74 ASN HA H 74 4.245 4.245 3.903 0.342 25576 4795 1 9 . 1 1 74 74 ASN C C 74 176.050 176.050 174.751 1.299 25576 4796 1 9 . 1 1 74 74 ASN CA C 74 52.073 52.073 52.609 -0.536 25576 4797 1 9 . 1 1 74 74 ASN CB C 74 37.343 37.343 38.484 -1.141 25576 4798 1 9 . 1 1 74 74 ASN H H 74 7.738 7.738 8.163 -0.425 25576 4799 1 9 . 1 1 75 75 HIS N N 75 119.821 119.821 120.153 -0.332 25576 4800 1 9 . 1 1 75 75 HIS HA H 75 4.908 4.908 4.541 0.367 25576 4801 1 9 . 1 1 75 75 HIS C C 75 175.680 175.680 174.030 1.650 25576 4802 1 9 . 1 1 75 75 HIS CA C 75 56.606 56.606 55.970 0.636 25576 4803 1 9 . 1 1 75 75 HIS CB C 75 33.549 33.549 31.110 2.439 25576 4804 1 9 . 1 1 75 75 HIS H H 75 7.149 7.149 7.494 -0.345 25576 4805 1 9 . 1 1 76 76 THR N N 76 108.304 108.304 113.354 -5.050 25576 4806 1 9 . 1 1 76 76 THR HA H 76 5.197 5.197 5.241 -0.044 25576 4807 1 9 . 1 1 76 76 THR CA C 76 57.594 57.594 57.619 -0.025 25576 4808 1 9 . 1 1 76 76 THR CB C 76 70.033 70.033 71.290 -1.257 25576 4809 1 9 . 1 1 76 76 THR H H 76 7.303 7.303 8.230 -0.927 25576 4810 1 9 . 1 1 77 77 PRO HA H 77 4.241 4.241 4.160 0.081 25576 4811 1 9 . 1 1 77 77 PRO C C 77 178.445 178.445 177.951 0.494 25576 4812 1 9 . 1 1 77 77 PRO CA C 77 65.724 65.724 65.132 0.592 25576 4813 1 9 . 1 1 77 77 PRO CB C 77 32.479 32.479 31.876 0.603 25576 4814 1 9 . 1 1 78 78 LYS N N 78 115.329 115.329 116.184 -0.855 25576 4815 1 9 . 1 1 78 78 LYS HA H 78 3.956 3.956 4.075 -0.119 25576 4816 1 9 . 1 1 78 78 LYS C C 78 179.328 179.328 178.825 0.503 25576 4817 1 9 . 1 1 78 78 LYS CA C 78 59.012 59.012 59.136 -0.124 25576 4818 1 9 . 1 1 78 78 LYS CB C 78 32.845 32.845 31.623 1.222 25576 4819 1 9 . 1 1 78 78 LYS H H 78 8.073 8.073 7.674 0.399 25576 4820 1 9 . 1 1 79 79 GLU N N 79 120.840 120.840 119.330 1.510 25576 4821 1 9 . 1 1 79 79 GLU HA H 79 3.957 3.957 4.160 -0.203 25576 4822 1 9 . 1 1 79 79 GLU C C 79 178.566 178.566 178.299 0.267 25576 4823 1 9 . 1 1 79 79 GLU CA C 79 58.790 58.790 58.181 0.609 25576 4824 1 9 . 1 1 79 79 GLU CB C 79 30.290 30.290 29.500 0.790 25576 4825 1 9 . 1 1 79 79 GLU H H 79 7.978 7.978 7.512 0.466 25576 4826 1 9 . 1 1 80 80 LEU N N 80 115.072 115.072 116.553 -1.481 25576 4827 1 9 . 1 1 80 80 LEU HA H 80 4.222 4.222 4.357 -0.135 25576 4828 1 9 . 1 1 80 80 LEU C C 80 176.602 176.602 176.832 -0.230 25576 4829 1 9 . 1 1 80 80 LEU CA C 80 54.613 54.613 54.882 -0.269 25576 4830 1 9 . 1 1 80 80 LEU CB C 80 42.453 42.453 41.996 0.457 25576 4831 1 9 . 1 1 80 80 LEU H H 80 7.486 7.486 7.887 -0.401 25576 4832 1 9 . 1 1 81 81 GLY N N 81 108.019 108.019 107.347 0.672 25576 4833 1 9 . 1 1 81 81 GLY C C 81 175.390 175.390 174.477 0.913 25576 4834 1 9 . 1 1 81 81 GLY CA C 81 46.622 46.622 45.547 1.075 25576 4835 1 9 . 1 1 81 81 GLY H H 81 7.644 7.644 7.286 0.358 25576 4836 1 9 . 1 1 82 82 MET N N 82 117.606 117.606 118.433 -0.827 25576 4837 1 9 . 1 1 82 82 MET HA H 82 4.185 4.185 5.099 -0.914 25576 4838 1 9 . 1 1 82 82 MET C C 82 174.482 174.482 175.251 -0.769 25576 4839 1 9 . 1 1 82 82 MET CA C 82 57.019 57.019 54.997 2.022 25576 4840 1 9 . 1 1 82 82 MET CB C 82 34.089 34.089 35.621 -1.532 25576 4841 1 9 . 1 1 82 82 MET H H 82 7.628 7.628 8.133 -0.505 25576 4842 1 9 . 1 1 83 83 GLU N N 83 120.980 120.980 117.971 3.009 25576 4843 1 9 . 1 1 83 83 GLU HA H 83 4.457 4.457 4.785 -0.328 25576 4844 1 9 . 1 1 83 83 GLU C C 83 174.297 174.297 175.463 -1.166 25576 4845 1 9 . 1 1 83 83 GLU CA C 83 53.875 53.875 54.189 -0.314 25576 4846 1 9 . 1 1 83 83 GLU CB C 83 33.937 33.937 32.403 1.534 25576 4847 1 9 . 1 1 83 83 GLU H H 83 9.314 9.314 8.388 0.926 25576 4848 1 9 . 1 1 84 84 GLU N N 84 119.063 119.063 120.799 -1.736 25576 4849 1 9 . 1 1 84 84 GLU HA H 84 4.199 4.199 4.081 0.118 25576 4850 1 9 . 1 1 84 84 GLU C C 84 177.527 177.527 176.494 1.033 25576 4851 1 9 . 1 1 84 84 GLU CA C 84 58.549 58.549 56.955 1.594 25576 4852 1 9 . 1 1 84 84 GLU CB C 84 29.993 29.993 28.888 1.105 25576 4853 1 9 . 1 1 84 84 GLU H H 84 8.341 8.341 8.552 -0.211 25576 4854 1 9 . 1 1 85 85 GLU N N 85 118.840 118.840 118.000 0.840 25576 4855 1 9 . 1 1 85 85 GLU HA H 85 3.645 3.645 3.863 -0.218 25576 4856 1 9 . 1 1 85 85 GLU C C 85 175.047 175.047 175.483 -0.436 25576 4857 1 9 . 1 1 85 85 GLU CA C 85 58.846 58.846 57.800 1.046 25576 4858 1 9 . 1 1 85 85 GLU CB C 85 26.691 26.691 28.872 -2.181 25576 4859 1 9 . 1 1 85 85 GLU H H 85 9.357 9.357 9.142 0.215 25576 4860 1 9 . 1 1 86 86 ASP N N 86 120.217 120.217 120.351 -0.134 25576 4861 1 9 . 1 1 86 86 ASP HA H 86 4.880 4.880 4.590 0.290 25576 4862 1 9 . 1 1 86 86 ASP C C 86 174.417 174.417 174.678 -0.261 25576 4863 1 9 . 1 1 86 86 ASP CA C 86 55.822 55.822 55.764 0.058 25576 4864 1 9 . 1 1 86 86 ASP CB C 86 41.926 41.926 42.324 -0.398 25576 4865 1 9 . 1 1 86 86 ASP H H 86 8.155 8.155 7.692 0.463 25576 4866 1 9 . 1 1 87 87 VAL N N 87 116.641 116.641 119.976 -3.335 25576 4867 1 9 . 1 1 87 87 VAL HA H 87 4.924 4.924 5.004 -0.080 25576 4868 1 9 . 1 1 87 87 VAL C C 87 176.064 176.064 174.520 1.544 25576 4869 1 9 . 1 1 87 87 VAL CA C 87 61.311 61.311 60.030 1.281 25576 4870 1 9 . 1 1 87 87 VAL CB C 87 35.067 35.067 34.661 0.406 25576 4871 1 9 . 1 1 87 87 VAL H H 87 8.191 8.191 8.173 0.018 25576 4872 1 9 . 1 1 88 88 ILE N N 88 127.353 127.353 126.235 1.118 25576 4873 1 9 . 1 1 88 88 ILE HA H 88 4.845 4.845 4.665 0.180 25576 4874 1 9 . 1 1 88 88 ILE C C 88 174.967 174.967 173.842 1.125 25576 4875 1 9 . 1 1 88 88 ILE CA C 88 59.381 59.381 59.776 -0.395 25576 4876 1 9 . 1 1 88 88 ILE CB C 88 40.984 40.984 40.893 0.091 25576 4877 1 9 . 1 1 88 88 ILE H H 88 9.165 9.165 8.889 0.276 25576 4878 1 9 . 1 1 89 89 GLU N N 89 125.851 125.851 123.730 2.121 25576 4879 1 9 . 1 1 89 89 GLU HA H 89 4.820 4.820 4.649 0.171 25576 4880 1 9 . 1 1 89 89 GLU C C 89 175.262 175.262 174.791 0.471 25576 4881 1 9 . 1 1 89 89 GLU CA C 89 55.158 55.158 54.702 0.456 25576 4882 1 9 . 1 1 89 89 GLU CB C 89 33.359 33.359 32.267 1.092 25576 4883 1 9 . 1 1 89 89 GLU H H 89 8.858 8.858 8.686 0.172 25576 4884 1 9 . 1 1 90 90 VAL N N 90 119.735 119.735 125.269 -5.534 25576 4885 1 9 . 1 1 90 90 VAL HA H 90 4.817 4.817 5.358 -0.541 25576 4886 1 9 . 1 1 90 90 VAL C C 90 174.870 174.870 174.488 0.382 25576 4887 1 9 . 1 1 90 90 VAL CA C 90 59.412 59.412 60.261 -0.850 25576 4888 1 9 . 1 1 90 90 VAL CB C 90 34.031 34.031 34.402 -0.371 25576 4889 1 9 . 1 1 90 90 VAL H H 90 7.770 7.770 8.031 -0.261 25576 4890 1 9 . 1 1 91 91 TYR N N 91 124.243 124.243 124.389 -0.146 25576 4891 1 9 . 1 1 91 91 TYR HA H 91 4.621 4.621 4.723 -0.102 25576 4892 1 9 . 1 1 91 91 TYR C C 91 174.588 174.588 174.390 0.198 25576 4893 1 9 . 1 1 91 91 TYR CA C 91 56.018 56.018 56.883 -0.865 25576 4894 1 9 . 1 1 91 91 TYR CB C 91 42.641 42.641 41.898 0.743 25576 4895 1 9 . 1 1 91 91 TYR H H 91 8.540 8.540 9.149 -0.609 25576 4896 1 9 . 1 1 92 92 GLN N N 92 120.784 120.784 119.178 1.606 25576 4897 1 9 . 1 1 92 92 GLN HA H 92 4.529 4.529 4.545 -0.016 25576 4898 1 9 . 1 1 92 92 GLN C C 92 176.679 176.679 175.636 1.043 25576 4899 1 9 . 1 1 92 92 GLN CA C 92 56.135 56.135 55.467 0.668 25576 4900 1 9 . 1 1 92 92 GLN CB C 92 29.342 29.342 30.610 -1.268 25576 4901 1 9 . 1 1 92 92 GLN H H 92 8.726 8.726 8.682 0.044 25576 4902 1 9 . 1 1 93 93 GLU N N 93 125.131 125.131 122.451 2.680 25576 4903 1 9 . 1 1 93 93 GLU HA H 93 4.364 4.364 4.540 -0.176 25576 4904 1 9 . 1 1 93 93 GLU C C 93 176.244 176.244 176.803 -0.559 25576 4905 1 9 . 1 1 93 93 GLU CA C 93 56.111 56.111 55.719 0.392 25576 4906 1 9 . 1 1 93 93 GLU CB C 93 30.517 30.517 30.480 0.037 25576 4907 1 9 . 1 1 93 93 GLU H H 93 8.419 8.419 8.999 -0.580 25576 4908 1 9 . 1 1 94 94 GLN N N 94 122.912 122.912 120.369 2.543 25576 4909 1 9 . 1 1 94 94 GLN HA H 94 4.439 4.439 4.243 0.196 25576 4910 1 9 . 1 1 94 94 GLN C C 94 176.135 176.135 176.390 -0.255 25576 4911 1 9 . 1 1 94 94 GLN CA C 94 55.585 55.585 56.881 -1.296 25576 4912 1 9 . 1 1 94 94 GLN CB C 94 29.513 29.513 29.284 0.229 25576 4913 1 9 . 1 1 94 94 GLN H H 94 8.780 8.780 8.132 0.648 25576 4914 1 9 . 1 1 95 95 THR N N 95 116.094 116.094 111.675 4.419 25576 4915 1 9 . 1 1 95 95 THR HA H 95 4.294 4.294 4.551 -0.257 25576 4916 1 9 . 1 1 95 95 THR C C 95 175.136 175.136 172.960 2.176 25576 4917 1 9 . 1 1 95 95 THR CA C 95 61.971 61.971 61.012 0.959 25576 4918 1 9 . 1 1 95 95 THR CB C 95 69.829 69.829 69.965 -0.136 25576 4919 1 9 . 1 1 95 95 THR H H 95 8.392 8.392 8.230 0.162 25576 4920 1 9 . 1 1 96 96 GLY N N 96 111.858 111.858 110.790 1.068 25576 4921 1 9 . 1 1 96 96 GLY C C 96 173.704 173.704 173.879 -0.175 25576 4922 1 9 . 1 1 96 96 GLY CA C 96 45.424 45.424 45.631 -0.207 25576 4923 1 9 . 1 1 96 96 GLY H H 96 8.508 8.508 8.363 0.145 25576 4924 1 10 . 1 1 2 2 SER N N 2 116.367 116.367 115.574 0.793 25576 4925 1 10 . 1 1 2 2 SER HA H 2 4.458 4.458 4.652 -0.194 25576 4926 1 10 . 1 1 2 2 SER C C 2 174.579 174.579 174.860 -0.281 25576 4927 1 10 . 1 1 2 2 SER CA C 2 58.539 58.539 58.133 0.406 25576 4928 1 10 . 1 1 2 2 SER CB C 2 63.940 63.940 64.205 -0.265 25576 4929 1 10 . 1 1 2 2 SER H H 2 8.127 8.127 7.972 0.155 25576 4930 1 10 . 1 1 3 3 ASP N N 3 122.355 122.355 121.469 0.886 25576 4931 1 10 . 1 1 3 3 ASP HA H 3 4.566 4.566 4.822 -0.256 25576 4932 1 10 . 1 1 3 3 ASP C C 3 176.445 176.445 176.372 0.073 25576 4933 1 10 . 1 1 3 3 ASP CA C 3 54.819 54.819 54.397 0.422 25576 4934 1 10 . 1 1 3 3 ASP CB C 3 40.939 40.939 41.113 -0.174 25576 4935 1 10 . 1 1 3 3 ASP H H 3 8.360 8.360 8.348 0.012 25576 4936 1 10 . 1 1 4 4 GLN N N 4 119.955 119.955 116.790 3.165 25576 4937 1 10 . 1 1 4 4 GLN HA H 4 4.262 4.262 4.286 -0.024 25576 4938 1 10 . 1 1 4 4 GLN C C 4 176.138 176.138 176.087 0.051 25576 4939 1 10 . 1 1 4 4 GLN CA C 4 55.933 55.933 55.854 0.079 25576 4940 1 10 . 1 1 4 4 GLN CB C 4 29.411 29.411 28.212 1.199 25576 4941 1 10 . 1 1 4 4 GLN H H 4 8.250 8.250 7.932 0.318 25576 4942 1 10 . 1 1 5 5 GLU N N 5 121.392 121.392 120.477 0.915 25576 4943 1 10 . 1 1 5 5 GLU HA H 5 4.203 4.203 4.262 -0.059 25576 4944 1 10 . 1 1 5 5 GLU C C 5 176.137 176.137 175.467 0.670 25576 4945 1 10 . 1 1 5 5 GLU CA C 5 56.480 56.480 56.442 0.038 25576 4946 1 10 . 1 1 5 5 GLU CB C 5 30.261 30.261 30.316 -0.055 25576 4947 1 10 . 1 1 5 5 GLU H H 5 8.292 8.292 8.004 0.288 25576 4948 1 10 . 1 1 6 6 ALA N N 6 125.339 125.339 124.609 0.730 25576 4949 1 10 . 1 1 6 6 ALA HA H 6 4.261 4.261 4.464 -0.203 25576 4950 1 10 . 1 1 6 6 ALA C C 6 177.348 177.348 175.704 1.644 25576 4951 1 10 . 1 1 6 6 ALA CA C 6 52.319 52.319 51.520 0.799 25576 4952 1 10 . 1 1 6 6 ALA CB C 6 19.120 19.120 21.193 -2.073 25576 4953 1 10 . 1 1 6 6 ALA H H 6 8.253 8.253 8.165 0.088 25576 4954 1 10 . 1 1 7 7 LYS N N 7 122.299 122.299 120.205 2.094 25576 4955 1 10 . 1 1 7 7 LYS HA H 7 4.573 4.573 4.769 -0.196 25576 4956 1 10 . 1 1 7 7 LYS CA C 7 54.062 54.062 54.721 -0.659 25576 4957 1 10 . 1 1 7 7 LYS CB C 7 32.588 32.588 31.623 0.965 25576 4958 1 10 . 1 1 7 7 LYS H H 7 8.302 8.302 8.463 -0.161 25576 4959 1 10 . 1 1 8 8 PRO HA H 8 4.425 4.425 4.470 -0.045 25576 4960 1 10 . 1 1 8 8 PRO C C 8 177.020 177.020 176.614 0.406 25576 4961 1 10 . 1 1 8 8 PRO CA C 8 63.029 63.029 62.658 0.371 25576 4962 1 10 . 1 1 8 8 PRO CB C 8 32.158 32.158 32.174 -0.016 25576 4963 1 10 . 1 1 9 9 SER N N 9 116.888 116.888 115.049 1.839 25576 4964 1 10 . 1 1 9 9 SER HA H 9 4.479 4.479 4.755 -0.276 25576 4965 1 10 . 1 1 9 9 SER C C 9 174.261 174.261 174.004 0.257 25576 4966 1 10 . 1 1 9 9 SER CA C 9 58.299 58.299 58.187 0.112 25576 4967 1 10 . 1 1 9 9 SER CB C 9 63.848 63.848 63.651 0.197 25576 4968 1 10 . 1 1 9 9 SER H H 9 8.596 8.596 8.423 0.173 25576 4969 1 10 . 1 1 10 10 THR N N 10 115.838 115.838 117.687 -1.849 25576 4970 1 10 . 1 1 10 10 THR HA H 10 4.334 4.334 4.501 -0.167 25576 4971 1 10 . 1 1 10 10 THR C C 10 176.158 176.158 174.667 1.491 25576 4972 1 10 . 1 1 10 10 THR CA C 10 61.966 61.966 62.274 -0.308 25576 4973 1 10 . 1 1 10 10 THR CB C 10 69.581 69.581 70.144 -0.563 25576 4974 1 10 . 1 1 10 10 THR H H 10 8.247 8.247 8.346 -0.099 25576 4975 1 10 . 1 1 11 11 GLU N N 11 122.975 122.975 123.521 -0.546 25576 4976 1 10 . 1 1 11 11 GLU HA H 11 4.237 4.237 4.317 -0.080 25576 4977 1 10 . 1 1 11 11 GLU C C 11 175.920 175.920 176.036 -0.116 25576 4978 1 10 . 1 1 11 11 GLU CA C 11 56.779 56.779 56.550 0.229 25576 4979 1 10 . 1 1 11 11 GLU CB C 11 29.869 29.869 30.672 -0.803 25576 4980 1 10 . 1 1 11 11 GLU H H 11 8.355 8.355 7.945 0.410 25576 4981 1 10 . 1 1 12 12 ASP N N 12 122.117 122.117 123.935 -1.818 25576 4982 1 10 . 1 1 12 12 ASP HA H 12 4.562 4.562 4.560 0.002 25576 4983 1 10 . 1 1 12 12 ASP C C 12 176.402 176.402 176.206 0.196 25576 4984 1 10 . 1 1 12 12 ASP CA C 12 54.224 54.224 54.462 -0.238 25576 4985 1 10 . 1 1 12 12 ASP CB C 12 41.161 41.161 39.550 1.611 25576 4986 1 10 . 1 1 12 12 ASP H H 12 8.411 8.411 8.704 -0.293 25576 4987 1 10 . 1 1 13 13 LEU N N 13 123.695 123.695 124.634 -0.939 25576 4988 1 10 . 1 1 13 13 LEU HA H 13 4.306 4.306 4.140 0.166 25576 4989 1 10 . 1 1 13 13 LEU C C 13 178.231 178.231 178.391 -0.160 25576 4990 1 10 . 1 1 13 13 LEU CA C 13 55.384 55.384 56.458 -1.074 25576 4991 1 10 . 1 1 13 13 LEU CB C 13 42.132 42.132 42.203 -0.071 25576 4992 1 10 . 1 1 13 13 LEU H H 13 8.391 8.391 8.428 -0.037 25576 4993 1 10 . 1 1 14 14 GLY N N 14 108.928 108.928 104.616 4.312 25576 4994 1 10 . 1 1 14 14 GLY C C 14 174.014 174.014 173.300 0.714 25576 4995 1 10 . 1 1 14 14 GLY CA C 14 45.600 45.600 44.551 1.049 25576 4996 1 10 . 1 1 14 14 GLY H H 14 8.456 8.456 7.957 0.499 25576 4997 1 10 . 1 1 15 15 ASP N N 15 120.427 120.427 122.858 -2.431 25576 4998 1 10 . 1 1 15 15 ASP HA H 15 4.544 4.544 4.602 -0.058 25576 4999 1 10 . 1 1 15 15 ASP C C 15 176.810 176.810 175.586 1.224 25576 5000 1 10 . 1 1 15 15 ASP CA C 15 54.389 54.389 54.560 -0.171 25576 5001 1 10 . 1 1 15 15 ASP CB C 15 41.153 41.153 41.108 0.045 25576 5002 1 10 . 1 1 15 15 ASP H H 15 8.207 8.207 8.301 -0.094 25576 5003 1 10 . 1 1 16 16 LYS N N 16 121.257 121.257 123.230 -1.973 25576 5004 1 10 . 1 1 16 16 LYS HA H 16 4.269 4.269 4.569 -0.300 25576 5005 1 10 . 1 1 16 16 LYS C C 16 176.470 176.470 175.751 0.719 25576 5006 1 10 . 1 1 16 16 LYS CA C 16 56.579 56.579 55.299 1.280 25576 5007 1 10 . 1 1 16 16 LYS CB C 16 29.470 29.470 34.625 -5.155 25576 5008 1 10 . 1 1 16 16 LYS H H 16 8.302 8.302 8.226 0.076 25576 5009 1 10 . 1 1 17 17 LYS N N 17 122.205 122.205 120.664 1.541 25576 5010 1 10 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.574 -0.307 25576 5011 1 10 . 1 1 17 17 LYS C C 17 176.837 176.837 174.975 1.862 25576 5012 1 10 . 1 1 17 17 LYS CA C 17 56.177 56.177 55.510 0.667 25576 5013 1 10 . 1 1 17 17 LYS CB C 17 32.684 32.684 34.285 -1.601 25576 5014 1 10 . 1 1 17 17 LYS H H 17 8.383 8.383 8.277 0.106 25576 5015 1 10 . 1 1 18 18 GLU N N 18 121.859 121.859 118.219 3.640 25576 5016 1 10 . 1 1 18 18 GLU HA H 18 4.252 4.252 4.854 -0.602 25576 5017 1 10 . 1 1 18 18 GLU C C 18 176.964 176.964 174.721 2.243 25576 5018 1 10 . 1 1 18 18 GLU CA C 18 57.094 57.094 55.433 1.661 25576 5019 1 10 . 1 1 18 18 GLU CB C 18 30.261 30.261 32.067 -1.806 25576 5020 1 10 . 1 1 18 18 GLU H H 18 8.497 8.497 8.826 -0.329 25576 5021 1 10 . 1 1 19 19 GLY N N 19 109.716 109.716 109.053 0.663 25576 5022 1 10 . 1 1 19 19 GLY C C 19 173.520 173.520 174.135 -0.615 25576 5023 1 10 . 1 1 19 19 GLY CA C 19 45.386 45.386 44.666 0.720 25576 5024 1 10 . 1 1 19 19 GLY H H 19 8.447 8.447 8.843 -0.396 25576 5025 1 10 . 1 1 20 20 GLU N N 20 119.640 119.640 119.264 0.376 25576 5026 1 10 . 1 1 20 20 GLU HA H 20 4.255 4.255 3.963 0.292 25576 5027 1 10 . 1 1 20 20 GLU C C 20 175.453 175.453 174.635 0.818 25576 5028 1 10 . 1 1 20 20 GLU CA C 20 56.726 56.726 57.109 -0.383 25576 5029 1 10 . 1 1 20 20 GLU CB C 20 30.806 30.806 29.607 1.199 25576 5030 1 10 . 1 1 20 20 GLU H H 20 8.227 8.227 8.543 -0.316 25576 5031 1 10 . 1 1 21 21 TYR N N 21 119.301 119.301 114.071 5.230 25576 5032 1 10 . 1 1 21 21 TYR HA H 21 5.083 5.083 5.329 -0.246 25576 5033 1 10 . 1 1 21 21 TYR C C 21 175.805 175.805 174.025 1.780 25576 5034 1 10 . 1 1 21 21 TYR CA C 21 57.427 57.427 56.060 1.367 25576 5035 1 10 . 1 1 21 21 TYR CB C 21 41.620 41.620 40.326 1.294 25576 5036 1 10 . 1 1 21 21 TYR H H 21 8.367 8.367 7.216 1.151 25576 5037 1 10 . 1 1 22 22 ILE N N 22 116.642 116.642 115.892 0.750 25576 5038 1 10 . 1 1 22 22 ILE HA H 22 4.787 4.787 4.696 0.091 25576 5039 1 10 . 1 1 22 22 ILE C C 22 173.467 173.467 174.470 -1.003 25576 5040 1 10 . 1 1 22 22 ILE CA C 22 59.685 59.685 59.172 0.513 25576 5041 1 10 . 1 1 22 22 ILE CB C 22 42.383 42.383 41.738 0.645 25576 5042 1 10 . 1 1 22 22 ILE H H 22 9.151 9.151 9.108 0.043 25576 5043 1 10 . 1 1 23 23 LYS N N 23 124.306 124.306 119.514 4.792 25576 5044 1 10 . 1 1 23 23 LYS HA H 23 5.289 5.289 5.292 -0.003 25576 5045 1 10 . 1 1 23 23 LYS C C 23 175.553 175.553 175.491 0.062 25576 5046 1 10 . 1 1 23 23 LYS CA C 23 55.629 55.629 55.371 0.258 25576 5047 1 10 . 1 1 23 23 LYS CB C 23 33.744 33.744 34.543 -0.799 25576 5048 1 10 . 1 1 23 23 LYS H H 23 8.623 8.623 8.302 0.321 25576 5049 1 10 . 1 1 24 24 LEU N N 24 124.177 124.177 121.222 2.955 25576 5050 1 10 . 1 1 24 24 LEU HA H 24 4.974 4.974 5.102 -0.128 25576 5051 1 10 . 1 1 24 24 LEU C C 24 175.910 175.910 174.508 1.402 25576 5052 1 10 . 1 1 24 24 LEU CA C 24 52.835 52.835 54.043 -1.208 25576 5053 1 10 . 1 1 24 24 LEU CB C 24 46.661 46.661 47.313 -0.652 25576 5054 1 10 . 1 1 24 24 LEU H H 24 8.940 8.940 9.072 -0.132 25576 5055 1 10 . 1 1 25 25 LYS N N 25 120.635 120.635 120.149 0.486 25576 5056 1 10 . 1 1 25 25 LYS HA H 25 4.714 4.714 4.790 -0.076 25576 5057 1 10 . 1 1 25 25 LYS C C 25 174.125 174.125 173.991 0.134 25576 5058 1 10 . 1 1 25 25 LYS CA C 25 55.122 55.122 53.748 1.374 25576 5059 1 10 . 1 1 25 25 LYS CB C 25 34.919 34.919 36.518 -1.599 25576 5060 1 10 . 1 1 25 25 LYS H H 25 8.621 8.621 8.517 0.104 25576 5061 1 10 . 1 1 26 26 VAL N N 26 124.130 124.130 124.245 -0.115 25576 5062 1 10 . 1 1 26 26 VAL HA H 26 5.043 5.043 4.715 0.328 25576 5063 1 10 . 1 1 26 26 VAL C C 26 176.195 176.195 174.172 2.023 25576 5064 1 10 . 1 1 26 26 VAL CA C 26 61.193 61.193 60.054 1.139 25576 5065 1 10 . 1 1 26 26 VAL CB C 26 32.270 32.270 35.582 -3.312 25576 5066 1 10 . 1 1 26 26 VAL H H 26 9.113 9.113 8.689 0.424 25576 5067 1 10 . 1 1 27 27 ILE N N 27 128.245 128.245 126.376 1.869 25576 5068 1 10 . 1 1 27 27 ILE HA H 27 5.012 5.012 4.372 0.640 25576 5069 1 10 . 1 1 27 27 ILE C C 27 175.976 175.976 175.028 0.948 25576 5070 1 10 . 1 1 27 27 ILE CA C 27 59.910 59.910 58.593 1.317 25576 5071 1 10 . 1 1 27 27 ILE CB C 27 39.851 39.851 37.564 2.287 25576 5072 1 10 . 1 1 27 27 ILE H H 27 9.063 9.063 8.489 0.574 25576 5073 1 10 . 1 1 28 28 GLY N N 28 113.332 113.332 112.492 0.840 25576 5074 1 10 . 1 1 28 28 GLY C C 28 175.505 175.505 175.466 0.039 25576 5075 1 10 . 1 1 28 28 GLY CA C 28 43.958 43.958 43.853 0.105 25576 5076 1 10 . 1 1 28 28 GLY H H 28 8.485 8.485 7.953 0.532 25576 5077 1 10 . 1 1 29 29 GLN N N 29 120.493 120.493 118.605 1.888 25576 5078 1 10 . 1 1 29 29 GLN HA H 29 4.113 4.113 4.121 -0.008 25576 5079 1 10 . 1 1 29 29 GLN C C 29 176.003 176.003 176.815 -0.812 25576 5080 1 10 . 1 1 29 29 GLN CA C 29 57.808 57.808 57.709 0.099 25576 5081 1 10 . 1 1 29 29 GLN CB C 29 28.735 28.735 28.645 0.090 25576 5082 1 10 . 1 1 29 29 GLN H H 29 8.768 8.768 8.816 -0.048 25576 5083 1 10 . 1 1 30 30 ASP N N 30 118.342 118.342 117.015 1.327 25576 5084 1 10 . 1 1 30 30 ASP HA H 30 4.537 4.537 4.715 -0.178 25576 5085 1 10 . 1 1 30 30 ASP C C 30 176.461 176.461 176.114 0.347 25576 5086 1 10 . 1 1 30 30 ASP CA C 30 53.271 53.271 53.629 -0.358 25576 5087 1 10 . 1 1 30 30 ASP CB C 30 39.867 39.867 41.182 -1.315 25576 5088 1 10 . 1 1 30 30 ASP H H 30 8.335 8.335 8.069 0.266 25576 5089 1 10 . 1 1 31 31 SER N N 31 111.069 111.069 113.313 -2.244 25576 5090 1 10 . 1 1 31 31 SER HA H 31 4.044 4.044 4.176 -0.132 25576 5091 1 10 . 1 1 31 31 SER C C 31 173.554 173.554 173.452 0.102 25576 5092 1 10 . 1 1 31 31 SER CA C 31 60.529 60.529 59.483 1.046 25576 5093 1 10 . 1 1 31 31 SER CB C 31 62.268 62.268 62.343 -0.075 25576 5094 1 10 . 1 1 31 31 SER H H 31 7.997 7.997 7.961 0.036 25576 5095 1 10 . 1 1 32 32 SER N N 32 117.489 117.489 117.125 0.364 25576 5096 1 10 . 1 1 32 32 SER HA H 32 4.380 4.380 4.378 0.002 25576 5097 1 10 . 1 1 32 32 SER C C 32 173.550 173.550 174.294 -0.744 25576 5098 1 10 . 1 1 32 32 SER CA C 32 58.590 58.590 58.703 -0.113 25576 5099 1 10 . 1 1 32 32 SER CB C 32 64.008 64.008 63.351 0.657 25576 5100 1 10 . 1 1 32 32 SER H H 32 8.081 8.081 8.102 -0.021 25576 5101 1 10 . 1 1 33 33 GLU N N 33 121.738 121.738 129.529 -7.791 25576 5102 1 10 . 1 1 33 33 GLU HA H 33 5.131 5.131 5.179 -0.048 25576 5103 1 10 . 1 1 33 33 GLU C C 33 175.317 175.317 175.922 -0.605 25576 5104 1 10 . 1 1 33 33 GLU CA C 33 55.212 55.212 55.543 -0.331 25576 5105 1 10 . 1 1 33 33 GLU CB C 33 32.596 32.596 30.384 2.212 25576 5106 1 10 . 1 1 33 33 GLU H H 33 8.616 8.616 8.514 0.102 25576 5107 1 10 . 1 1 34 34 ILE N N 34 124.389 124.389 124.908 -0.519 25576 5108 1 10 . 1 1 34 34 ILE HA H 34 4.359 4.359 4.479 -0.120 25576 5109 1 10 . 1 1 34 34 ILE C C 34 174.612 174.612 175.035 -0.423 25576 5110 1 10 . 1 1 34 34 ILE CA C 34 60.266 60.266 59.515 0.751 25576 5111 1 10 . 1 1 34 34 ILE CB C 34 40.906 40.906 39.705 1.201 25576 5112 1 10 . 1 1 34 34 ILE H H 34 8.670 8.670 8.329 0.342 25576 5113 1 10 . 1 1 35 35 HIS N N 35 125.683 125.683 124.645 1.038 25576 5114 1 10 . 1 1 35 35 HIS HA H 35 5.597 5.597 4.928 0.669 25576 5115 1 10 . 1 1 35 35 HIS C C 35 174.902 174.902 174.649 0.253 25576 5116 1 10 . 1 1 35 35 HIS CA C 35 54.765 54.765 53.921 0.844 25576 5117 1 10 . 1 1 35 35 HIS CB C 35 32.411 32.411 32.504 -0.093 25576 5118 1 10 . 1 1 35 35 HIS H H 35 8.699 8.699 8.662 0.037 25576 5119 1 10 . 1 1 36 36 PHE N N 36 119.920 119.920 119.938 -0.018 25576 5120 1 10 . 1 1 36 36 PHE HA H 36 4.949 4.949 5.023 -0.074 25576 5121 1 10 . 1 1 36 36 PHE C C 36 174.000 174.000 173.284 0.716 25576 5122 1 10 . 1 1 36 36 PHE CA C 36 57.003 57.003 55.998 1.005 25576 5123 1 10 . 1 1 36 36 PHE CB C 36 44.431 44.431 41.550 2.881 25576 5124 1 10 . 1 1 36 36 PHE H H 36 9.103 9.103 8.061 1.042 25576 5125 1 10 . 1 1 37 37 LYS N N 37 123.747 123.747 120.457 3.290 25576 5126 1 10 . 1 1 37 37 LYS HA H 37 4.294 4.294 5.308 -1.014 25576 5127 1 10 . 1 1 37 37 LYS C C 37 176.145 176.145 175.134 1.011 25576 5128 1 10 . 1 1 37 37 LYS CA C 37 55.448 55.448 55.373 0.075 25576 5129 1 10 . 1 1 37 37 LYS CB C 37 33.467 33.467 34.204 -0.737 25576 5130 1 10 . 1 1 37 37 LYS H H 37 8.787 8.787 8.500 0.287 25576 5131 1 10 . 1 1 38 38 VAL N N 38 119.736 119.736 117.294 2.442 25576 5132 1 10 . 1 1 38 38 VAL HA H 38 4.957 4.957 4.622 0.335 25576 5133 1 10 . 1 1 38 38 VAL C C 38 174.245 174.245 174.074 0.171 25576 5134 1 10 . 1 1 38 38 VAL CA C 38 58.935 58.935 59.694 -0.759 25576 5135 1 10 . 1 1 38 38 VAL CB C 38 35.429 35.429 35.591 -0.162 25576 5136 1 10 . 1 1 38 38 VAL H H 38 9.138 9.138 8.898 0.240 25576 5137 1 10 . 1 1 39 39 LYS N N 39 122.359 122.359 122.576 -0.217 25576 5138 1 10 . 1 1 39 39 LYS HA H 39 3.837 3.837 4.562 -0.726 25576 5139 1 10 . 1 1 39 39 LYS C C 39 179.383 179.383 177.744 1.639 25576 5140 1 10 . 1 1 39 39 LYS CA C 39 56.814 56.814 55.931 0.883 25576 5141 1 10 . 1 1 39 39 LYS CB C 39 30.576 30.576 33.995 -3.418 25576 5142 1 10 . 1 1 39 39 LYS H H 39 8.611 8.611 8.458 0.153 25576 5143 1 10 . 1 1 40 40 MET N N 40 119.929 119.929 119.987 -0.058 25576 5144 1 10 . 1 1 40 40 MET HA H 40 4.103 4.103 4.488 -0.385 25576 5145 1 10 . 1 1 40 40 MET C C 40 176.546 176.546 176.037 0.509 25576 5146 1 10 . 1 1 40 40 MET CA C 40 57.320 57.320 56.154 1.166 25576 5147 1 10 . 1 1 40 40 MET CB C 40 30.903 30.903 31.707 -0.804 25576 5148 1 10 . 1 1 40 40 MET H H 40 8.562 8.562 9.125 -0.563 25576 5149 1 10 . 1 1 41 41 THR N N 41 100.263 100.263 110.217 -9.954 25576 5150 1 10 . 1 1 41 41 THR HA H 41 4.349 4.349 4.573 -0.224 25576 5151 1 10 . 1 1 41 41 THR C C 41 174.506 174.506 174.369 0.137 25576 5152 1 10 . 1 1 41 41 THR CA C 41 60.147 60.147 61.554 -1.407 25576 5153 1 10 . 1 1 41 41 THR CB C 41 68.836 68.836 69.614 -0.778 25576 5154 1 10 . 1 1 41 41 THR H H 41 6.974 6.974 7.660 -0.686 25576 5155 1 10 . 1 1 42 42 THR N N 42 120.616 120.616 116.985 3.631 25576 5156 1 10 . 1 1 42 42 THR HA H 42 4.187 4.187 4.433 -0.246 25576 5157 1 10 . 1 1 42 42 THR C C 42 174.052 174.052 173.427 0.625 25576 5158 1 10 . 1 1 42 42 THR CA C 42 63.153 63.153 60.350 2.803 25576 5159 1 10 . 1 1 42 42 THR CB C 42 69.645 69.645 70.301 -0.656 25576 5160 1 10 . 1 1 42 42 THR H H 42 7.192 7.192 7.589 -0.397 25576 5161 1 10 . 1 1 43 43 HIS N N 43 126.236 126.236 120.926 5.310 25576 5162 1 10 . 1 1 43 43 HIS HA H 43 4.411 4.411 4.592 -0.181 25576 5163 1 10 . 1 1 43 43 HIS C C 43 178.431 178.431 176.689 1.742 25576 5164 1 10 . 1 1 43 43 HIS CA C 43 57.366 57.366 55.832 1.534 25576 5165 1 10 . 1 1 43 43 HIS CB C 43 30.155 30.155 31.008 -0.852 25576 5166 1 10 . 1 1 43 43 HIS H H 43 8.807 8.807 8.541 0.266 25576 5167 1 10 . 1 1 44 44 LEU N N 44 124.757 124.757 124.251 0.506 25576 5168 1 10 . 1 1 44 44 LEU HA H 44 3.983 3.983 4.041 -0.058 25576 5169 1 10 . 1 1 44 44 LEU C C 44 177.051 177.051 177.774 -0.723 25576 5170 1 10 . 1 1 44 44 LEU CA C 44 58.790 58.790 56.677 2.113 25576 5171 1 10 . 1 1 44 44 LEU CB C 44 41.240 41.240 40.993 0.247 25576 5172 1 10 . 1 1 44 44 LEU H H 44 9.349 9.349 9.158 0.191 25576 5173 1 10 . 1 1 45 45 LYS N N 45 121.424 121.424 119.265 2.159 25576 5174 1 10 . 1 1 45 45 LYS HA H 45 3.584 3.584 3.868 -0.284 25576 5175 1 10 . 1 1 45 45 LYS C C 45 176.867 176.867 178.316 -1.449 25576 5176 1 10 . 1 1 45 45 LYS CA C 45 60.662 60.662 59.319 1.343 25576 5177 1 10 . 1 1 45 45 LYS CB C 45 33.389 33.389 31.322 2.067 25576 5178 1 10 . 1 1 45 45 LYS H H 45 8.543 8.543 7.680 0.863 25576 5179 1 10 . 1 1 46 46 LYS N N 46 114.033 114.033 118.466 -4.433 25576 5180 1 10 . 1 1 46 46 LYS HA H 46 4.087 4.087 4.281 -0.194 25576 5181 1 10 . 1 1 46 46 LYS C C 46 178.977 178.977 178.350 0.627 25576 5182 1 10 . 1 1 46 46 LYS CA C 46 58.615 58.615 58.555 0.060 25576 5183 1 10 . 1 1 46 46 LYS CB C 46 31.643 31.643 31.842 -0.199 25576 5184 1 10 . 1 1 46 46 LYS H H 46 7.517 7.517 7.447 0.070 25576 5185 1 10 . 1 1 47 47 LEU N N 47 121.871 121.871 121.443 0.428 25576 5186 1 10 . 1 1 47 47 LEU HA H 47 3.660 3.660 3.780 -0.120 25576 5187 1 10 . 1 1 47 47 LEU C C 47 177.575 177.575 178.093 -0.518 25576 5188 1 10 . 1 1 47 47 LEU CA C 47 58.514 58.514 57.631 0.883 25576 5189 1 10 . 1 1 47 47 LEU CB C 47 41.890 41.890 41.856 0.034 25576 5190 1 10 . 1 1 47 47 LEU H H 47 6.739 6.739 7.527 -0.788 25576 5191 1 10 . 1 1 48 48 LYS N N 48 118.246 118.246 118.425 -0.179 25576 5192 1 10 . 1 1 48 48 LYS HA H 48 3.081 3.081 4.147 -1.066 25576 5193 1 10 . 1 1 48 48 LYS C C 48 178.700 178.700 178.754 -0.054 25576 5194 1 10 . 1 1 48 48 LYS CA C 48 59.712 59.712 59.647 0.066 25576 5195 1 10 . 1 1 48 48 LYS CB C 48 32.411 32.411 31.539 0.872 25576 5196 1 10 . 1 1 48 48 LYS H H 48 7.556 7.556 8.518 -0.962 25576 5197 1 10 . 1 1 49 49 GLU N N 49 118.092 118.092 119.323 -1.231 25576 5198 1 10 . 1 1 49 49 GLU HA H 49 3.973 3.973 4.027 -0.054 25576 5199 1 10 . 1 1 49 49 GLU C C 49 179.453 179.453 178.909 0.544 25576 5200 1 10 . 1 1 49 49 GLU CA C 49 59.627 59.627 58.885 0.742 25576 5201 1 10 . 1 1 49 49 GLU CB C 49 30.120 30.120 28.709 1.411 25576 5202 1 10 . 1 1 49 49 GLU H H 49 8.500 8.500 8.125 0.375 25576 5203 1 10 . 1 1 50 50 SER N N 50 115.646 115.646 117.104 -1.458 25576 5204 1 10 . 1 1 50 50 SER HA H 50 4.260 4.260 4.159 0.101 25576 5205 1 10 . 1 1 50 50 SER C C 50 177.171 177.171 176.627 0.544 25576 5206 1 10 . 1 1 50 50 SER CA C 50 61.947 61.947 62.242 -0.296 25576 5207 1 10 . 1 1 50 50 SER CB C 50 63.258 63.258 63.177 0.081 25576 5208 1 10 . 1 1 50 50 SER H H 50 7.966 7.966 7.810 0.156 25576 5209 1 10 . 1 1 51 51 TYR N N 51 122.610 122.610 120.321 2.289 25576 5210 1 10 . 1 1 51 51 TYR HA H 51 4.026 4.026 4.424 -0.398 25576 5211 1 10 . 1 1 51 51 TYR C C 51 177.374 177.374 176.901 0.473 25576 5212 1 10 . 1 1 51 51 TYR CA C 51 63.608 63.608 60.091 3.517 25576 5213 1 10 . 1 1 51 51 TYR CB C 51 38.618 38.618 37.597 1.020 25576 5214 1 10 . 1 1 51 51 TYR H H 51 8.833 8.833 8.038 0.795 25576 5215 1 10 . 1 1 52 52 CYS N N 52 117.395 117.395 119.658 -2.263 25576 5216 1 10 . 1 1 52 52 CYS HA H 52 3.915 3.915 3.668 0.247 25576 5217 1 10 . 1 1 52 52 CYS C C 52 177.182 177.182 176.586 0.596 25576 5218 1 10 . 1 1 52 52 CYS CA C 52 65.108 65.108 64.391 0.717 25576 5219 1 10 . 1 1 52 52 CYS CB C 52 26.151 26.151 27.177 -1.026 25576 5220 1 10 . 1 1 52 52 CYS H H 52 8.676 8.676 7.252 1.424 25576 5221 1 10 . 1 1 53 53 GLN N N 53 119.196 119.196 118.907 0.289 25576 5222 1 10 . 1 1 53 53 GLN HA H 53 4.109 4.109 3.976 0.133 25576 5223 1 10 . 1 1 53 53 GLN C C 53 179.105 179.105 178.164 0.941 25576 5224 1 10 . 1 1 53 53 GLN CA C 53 58.973 58.973 58.305 0.668 25576 5225 1 10 . 1 1 53 53 GLN CB C 53 28.211 28.211 27.977 0.234 25576 5226 1 10 . 1 1 53 53 GLN H H 53 8.322 8.322 8.141 0.181 25576 5227 1 10 . 1 1 54 54 ARG N N 54 120.139 120.139 119.866 0.273 25576 5228 1 10 . 1 1 54 54 ARG HA H 54 4.018 4.018 4.107 -0.089 25576 5229 1 10 . 1 1 54 54 ARG C C 54 178.300 178.300 178.640 -0.340 25576 5230 1 10 . 1 1 54 54 ARG CA C 54 58.552 58.552 58.407 0.145 25576 5231 1 10 . 1 1 54 54 ARG CB C 54 29.669 29.669 29.896 -0.227 25576 5232 1 10 . 1 1 54 54 ARG H H 54 8.011 8.011 7.698 0.313 25576 5233 1 10 . 1 1 55 55 GLN N N 55 114.160 114.160 116.501 -2.341 25576 5234 1 10 . 1 1 55 55 GLN HA H 55 4.251 4.251 4.304 -0.053 25576 5235 1 10 . 1 1 55 55 GLN C C 55 176.410 176.410 177.092 -0.682 25576 5236 1 10 . 1 1 55 55 GLN CA C 55 55.119 55.119 57.096 -1.977 25576 5237 1 10 . 1 1 55 55 GLN CB C 55 29.424 29.424 29.456 -0.032 25576 5238 1 10 . 1 1 55 55 GLN H H 55 7.806 7.806 7.807 -0.001 25576 5239 1 10 . 1 1 56 56 GLY N N 56 109.749 109.749 107.058 2.691 25576 5240 1 10 . 1 1 56 56 GLY C C 56 174.908 174.908 174.022 0.886 25576 5241 1 10 . 1 1 56 56 GLY CA C 56 46.658 46.658 45.206 1.452 25576 5242 1 10 . 1 1 56 56 GLY H H 56 7.932 7.932 7.772 0.160 25576 5243 1 10 . 1 1 57 57 VAL N N 57 111.990 111.990 116.565 -4.575 25576 5244 1 10 . 1 1 57 57 VAL HA H 57 4.941 4.941 4.691 0.250 25576 5245 1 10 . 1 1 57 57 VAL CA C 57 57.534 57.534 57.772 -0.238 25576 5246 1 10 . 1 1 57 57 VAL CB C 57 32.697 32.697 33.311 -0.614 25576 5247 1 10 . 1 1 57 57 VAL H H 57 7.651 7.651 7.550 0.101 25576 5248 1 10 . 1 1 58 58 PRO HA H 58 4.528 4.528 4.544 -0.016 25576 5249 1 10 . 1 1 58 58 PRO C C 58 179.169 179.169 177.376 1.793 25576 5250 1 10 . 1 1 58 58 PRO CA C 58 62.211 62.211 62.387 -0.176 25576 5251 1 10 . 1 1 58 58 PRO CB C 58 32.543 32.543 32.639 -0.096 25576 5252 1 10 . 1 1 59 59 MET N N 59 124.522 124.522 118.946 5.576 25576 5253 1 10 . 1 1 59 59 MET HA H 59 4.703 4.703 4.212 0.491 25576 5254 1 10 . 1 1 59 59 MET C C 59 177.459 177.459 175.838 1.621 25576 5255 1 10 . 1 1 59 59 MET CA C 59 58.247 58.247 57.761 0.486 25576 5256 1 10 . 1 1 59 59 MET CB C 59 32.795 32.795 32.439 0.356 25576 5257 1 10 . 1 1 59 59 MET H H 59 9.002 9.002 8.540 0.462 25576 5258 1 10 . 1 1 60 60 ASN N N 60 113.185 113.185 113.192 -0.007 25576 5259 1 10 . 1 1 60 60 ASN HA H 60 4.673 4.673 4.646 0.027 25576 5260 1 10 . 1 1 60 60 ASN C C 60 175.674 175.674 176.151 -0.477 25576 5261 1 10 . 1 1 60 60 ASN CA C 60 53.935 53.935 53.435 0.500 25576 5262 1 10 . 1 1 60 60 ASN CB C 60 37.217 37.217 37.597 -0.381 25576 5263 1 10 . 1 1 60 60 ASN H H 60 8.424 8.424 8.116 0.308 25576 5264 1 10 . 1 1 61 61 SER N N 61 113.092 113.092 114.352 -1.260 25576 5265 1 10 . 1 1 61 61 SER HA H 61 4.500 4.500 4.472 0.028 25576 5266 1 10 . 1 1 61 61 SER C C 61 173.455 173.455 173.320 0.135 25576 5267 1 10 . 1 1 61 61 SER CA C 61 59.609 59.609 59.876 -0.267 25576 5268 1 10 . 1 1 61 61 SER CB C 61 64.812 64.812 63.902 0.910 25576 5269 1 10 . 1 1 61 61 SER H H 61 7.931 7.931 7.693 0.238 25576 5270 1 10 . 1 1 62 62 LEU N N 62 120.961 120.961 115.219 5.742 25576 5271 1 10 . 1 1 62 62 LEU HA H 62 5.109 5.109 4.997 0.112 25576 5272 1 10 . 1 1 62 62 LEU C C 62 175.588 175.588 175.472 0.116 25576 5273 1 10 . 1 1 62 62 LEU CA C 62 53.575 53.575 52.718 0.857 25576 5274 1 10 . 1 1 62 62 LEU CB C 62 46.262 46.262 45.642 0.620 25576 5275 1 10 . 1 1 62 62 LEU H H 62 7.265 7.265 7.083 0.182 25576 5276 1 10 . 1 1 63 63 ARG N N 63 120.142 120.142 118.392 1.750 25576 5277 1 10 . 1 1 63 63 ARG HA H 63 4.668 4.668 4.264 0.404 25576 5278 1 10 . 1 1 63 63 ARG C C 63 172.784 172.784 174.711 -1.927 25576 5279 1 10 . 1 1 63 63 ARG CA C 63 54.488 54.488 54.280 0.208 25576 5280 1 10 . 1 1 63 63 ARG CB C 63 33.111 33.111 32.294 0.817 25576 5281 1 10 . 1 1 63 63 ARG H H 63 8.993 8.993 9.031 -0.038 25576 5282 1 10 . 1 1 64 64 PHE N N 64 122.537 122.537 121.116 1.421 25576 5283 1 10 . 1 1 64 64 PHE HA H 64 4.959 4.959 5.653 -0.694 25576 5284 1 10 . 1 1 64 64 PHE C C 64 174.150 174.150 174.379 -0.229 25576 5285 1 10 . 1 1 64 64 PHE CA C 64 56.347 56.347 54.838 1.509 25576 5286 1 10 . 1 1 64 64 PHE CB C 64 40.762 40.762 39.873 0.889 25576 5287 1 10 . 1 1 64 64 PHE H H 64 8.923 8.923 7.971 0.952 25576 5288 1 10 . 1 1 65 65 LEU N N 65 124.212 124.212 119.565 4.647 25576 5289 1 10 . 1 1 65 65 LEU HA H 65 5.290 5.290 5.684 -0.394 25576 5290 1 10 . 1 1 65 65 LEU C C 65 175.903 175.903 174.379 1.524 25576 5291 1 10 . 1 1 65 65 LEU CA C 65 53.729 53.729 53.561 0.168 25576 5292 1 10 . 1 1 65 65 LEU CB C 65 46.385 46.385 46.261 0.124 25576 5293 1 10 . 1 1 65 65 LEU H H 65 9.738 9.738 9.327 0.411 25576 5294 1 10 . 1 1 66 66 PHE N N 66 119.384 119.384 121.389 -2.005 25576 5295 1 10 . 1 1 66 66 PHE HA H 66 5.202 5.202 4.996 0.206 25576 5296 1 10 . 1 1 66 66 PHE C C 66 175.017 175.017 174.727 0.290 25576 5297 1 10 . 1 1 66 66 PHE CA C 66 56.291 56.291 57.360 -1.069 25576 5298 1 10 . 1 1 66 66 PHE CB C 66 41.700 41.700 42.630 -0.930 25576 5299 1 10 . 1 1 66 66 PHE H H 66 8.968 8.968 9.081 -0.113 25576 5300 1 10 . 1 1 67 67 GLU N N 67 129.196 129.196 124.852 4.344 25576 5301 1 10 . 1 1 67 67 GLU HA H 67 3.540 3.540 3.598 -0.058 25576 5302 1 10 . 1 1 67 67 GLU C C 67 176.778 176.778 176.086 0.692 25576 5303 1 10 . 1 1 67 67 GLU CA C 67 56.769 56.769 56.786 -0.017 25576 5304 1 10 . 1 1 67 67 GLU CB C 67 26.897 26.897 27.280 -0.383 25576 5305 1 10 . 1 1 67 67 GLU H H 67 9.381 9.381 8.816 0.565 25576 5306 1 10 . 1 1 68 68 GLY N N 68 103.263 103.263 105.143 -1.880 25576 5307 1 10 . 1 1 68 68 GLY C C 68 173.651 173.651 173.181 0.470 25576 5308 1 10 . 1 1 68 68 GLY CA C 68 45.476 45.476 44.898 0.578 25576 5309 1 10 . 1 1 68 68 GLY H H 68 8.858 8.858 8.259 0.599 25576 5310 1 10 . 1 1 69 69 GLN N N 69 120.732 120.732 118.598 2.134 25576 5311 1 10 . 1 1 69 69 GLN HA H 69 4.589 4.589 4.712 -0.123 25576 5312 1 10 . 1 1 69 69 GLN C C 69 175.204 175.204 174.462 0.742 25576 5313 1 10 . 1 1 69 69 GLN CA C 69 53.776 53.776 54.194 -0.418 25576 5314 1 10 . 1 1 69 69 GLN CB C 69 30.660 30.660 31.968 -1.308 25576 5315 1 10 . 1 1 69 69 GLN H H 69 7.996 7.996 8.072 -0.076 25576 5316 1 10 . 1 1 70 70 ARG N N 70 125.102 125.102 123.948 1.154 25576 5317 1 10 . 1 1 70 70 ARG HA H 70 4.395 4.395 4.753 -0.358 25576 5318 1 10 . 1 1 70 70 ARG C C 70 177.004 177.004 176.123 0.881 25576 5319 1 10 . 1 1 70 70 ARG CA C 70 57.305 57.305 56.072 1.233 25576 5320 1 10 . 1 1 70 70 ARG CB C 70 30.511 30.511 31.122 -0.611 25576 5321 1 10 . 1 1 70 70 ARG H H 70 8.823 8.823 8.752 0.071 25576 5322 1 10 . 1 1 71 71 ILE N N 71 126.949 126.949 122.553 4.396 25576 5323 1 10 . 1 1 71 71 ILE HA H 71 4.477 4.477 4.484 -0.007 25576 5324 1 10 . 1 1 71 71 ILE C C 71 176.145 176.145 175.564 0.581 25576 5325 1 10 . 1 1 71 71 ILE CA C 71 61.337 61.337 59.184 2.153 25576 5326 1 10 . 1 1 71 71 ILE CB C 71 39.067 39.067 36.916 2.151 25576 5327 1 10 . 1 1 71 71 ILE H H 71 9.020 9.020 8.656 0.364 25576 5328 1 10 . 1 1 72 72 ALA N N 72 139.307 139.307 130.745 8.562 25576 5329 1 10 . 1 1 72 72 ALA HA H 72 4.334 4.334 4.494 -0.160 25576 5330 1 10 . 1 1 72 72 ALA C C 72 177.973 177.973 178.154 -0.181 25576 5331 1 10 . 1 1 72 72 ALA CA C 72 50.785 50.785 50.100 0.685 25576 5332 1 10 . 1 1 72 72 ALA CB C 72 18.407 18.407 21.097 -2.690 25576 5333 1 10 . 1 1 72 72 ALA H H 72 10.910 10.910 7.951 2.959 25576 5334 1 10 . 1 1 73 73 ASP N N 73 120.493 120.493 119.299 1.194 25576 5335 1 10 . 1 1 73 73 ASP HA H 73 3.823 3.823 4.253 -0.430 25576 5336 1 10 . 1 1 73 73 ASP C C 73 176.104 176.104 176.606 -0.502 25576 5337 1 10 . 1 1 73 73 ASP CA C 73 57.113 57.113 57.168 -0.055 25576 5338 1 10 . 1 1 73 73 ASP CB C 73 40.032 40.032 40.755 -0.723 25576 5339 1 10 . 1 1 73 73 ASP H H 73 8.770 8.770 8.651 0.119 25576 5340 1 10 . 1 1 74 74 ASN N N 74 109.526 109.526 114.152 -4.626 25576 5341 1 10 . 1 1 74 74 ASN HA H 74 4.245 4.245 4.052 0.193 25576 5342 1 10 . 1 1 74 74 ASN C C 74 176.050 176.050 174.442 1.608 25576 5343 1 10 . 1 1 74 74 ASN CA C 74 52.073 52.073 52.533 -0.460 25576 5344 1 10 . 1 1 74 74 ASN CB C 74 37.343 37.343 38.293 -0.950 25576 5345 1 10 . 1 1 74 74 ASN H H 74 7.738 7.738 8.101 -0.363 25576 5346 1 10 . 1 1 75 75 HIS N N 75 119.821 119.821 120.815 -0.994 25576 5347 1 10 . 1 1 75 75 HIS HA H 75 4.908 4.908 4.550 0.358 25576 5348 1 10 . 1 1 75 75 HIS C C 75 175.680 175.680 174.262 1.418 25576 5349 1 10 . 1 1 75 75 HIS CA C 75 56.606 56.606 56.088 0.518 25576 5350 1 10 . 1 1 75 75 HIS CB C 75 33.549 33.549 31.072 2.477 25576 5351 1 10 . 1 1 75 75 HIS H H 75 7.149 7.149 7.580 -0.431 25576 5352 1 10 . 1 1 76 76 THR N N 76 108.304 108.304 115.252 -6.948 25576 5353 1 10 . 1 1 76 76 THR HA H 76 5.197 5.197 5.167 0.030 25576 5354 1 10 . 1 1 76 76 THR CA C 76 57.594 57.594 58.315 -0.721 25576 5355 1 10 . 1 1 76 76 THR CB C 76 70.033 70.033 70.455 -0.422 25576 5356 1 10 . 1 1 76 76 THR H H 76 7.303 7.303 8.338 -1.035 25576 5357 1 10 . 1 1 77 77 PRO HA H 77 4.241 4.241 4.249 -0.008 25576 5358 1 10 . 1 1 77 77 PRO C C 77 178.445 178.445 177.997 0.448 25576 5359 1 10 . 1 1 77 77 PRO CA C 77 65.724 65.724 65.085 0.639 25576 5360 1 10 . 1 1 77 77 PRO CB C 77 32.479 32.479 31.847 0.632 25576 5361 1 10 . 1 1 78 78 LYS N N 78 115.329 115.329 115.101 0.228 25576 5362 1 10 . 1 1 78 78 LYS HA H 78 3.956 3.956 4.066 -0.110 25576 5363 1 10 . 1 1 78 78 LYS C C 78 179.328 179.328 178.557 0.771 25576 5364 1 10 . 1 1 78 78 LYS CA C 78 59.012 59.012 59.054 -0.042 25576 5365 1 10 . 1 1 78 78 LYS CB C 78 32.845 32.845 31.405 1.440 25576 5366 1 10 . 1 1 78 78 LYS H H 78 8.073 8.073 8.459 -0.386 25576 5367 1 10 . 1 1 79 79 GLU N N 79 120.840 120.840 119.737 1.103 25576 5368 1 10 . 1 1 79 79 GLU HA H 79 3.957 3.957 4.133 -0.175 25576 5369 1 10 . 1 1 79 79 GLU C C 79 178.566 178.566 178.412 0.154 25576 5370 1 10 . 1 1 79 79 GLU CA C 79 58.790 58.790 58.448 0.342 25576 5371 1 10 . 1 1 79 79 GLU CB C 79 30.290 30.290 29.521 0.769 25576 5372 1 10 . 1 1 79 79 GLU H H 79 7.978 7.978 7.483 0.495 25576 5373 1 10 . 1 1 80 80 LEU N N 80 115.072 115.072 117.536 -2.464 25576 5374 1 10 . 1 1 80 80 LEU HA H 80 4.222 4.222 4.284 -0.062 25576 5375 1 10 . 1 1 80 80 LEU C C 80 176.602 176.602 177.936 -1.334 25576 5376 1 10 . 1 1 80 80 LEU CA C 80 54.613 54.613 55.413 -0.800 25576 5377 1 10 . 1 1 80 80 LEU CB C 80 42.453 42.453 42.231 0.222 25576 5378 1 10 . 1 1 80 80 LEU H H 80 7.486 7.486 8.160 -0.674 25576 5379 1 10 . 1 1 81 81 GLY N N 81 108.019 108.019 106.386 1.633 25576 5380 1 10 . 1 1 81 81 GLY C C 81 175.390 175.390 174.134 1.256 25576 5381 1 10 . 1 1 81 81 GLY CA C 81 46.622 46.622 45.141 1.481 25576 5382 1 10 . 1 1 81 81 GLY H H 81 7.644 7.644 7.489 0.155 25576 5383 1 10 . 1 1 82 82 MET N N 82 117.606 117.606 118.490 -0.884 25576 5384 1 10 . 1 1 82 82 MET HA H 82 4.185 4.185 5.063 -0.878 25576 5385 1 10 . 1 1 82 82 MET C C 82 174.482 174.482 175.189 -0.707 25576 5386 1 10 . 1 1 82 82 MET CA C 82 57.019 57.019 54.830 2.189 25576 5387 1 10 . 1 1 82 82 MET CB C 82 34.089 34.089 35.850 -1.762 25576 5388 1 10 . 1 1 82 82 MET H H 82 7.628 7.628 8.184 -0.556 25576 5389 1 10 . 1 1 83 83 GLU N N 83 120.980 120.980 118.246 2.734 25576 5390 1 10 . 1 1 83 83 GLU HA H 83 4.457 4.457 4.796 -0.339 25576 5391 1 10 . 1 1 83 83 GLU C C 83 174.297 174.297 175.522 -1.225 25576 5392 1 10 . 1 1 83 83 GLU CA C 83 53.875 53.875 53.992 -0.117 25576 5393 1 10 . 1 1 83 83 GLU CB C 83 33.937 33.937 32.069 1.868 25576 5394 1 10 . 1 1 83 83 GLU H H 83 9.314 9.314 8.329 0.985 25576 5395 1 10 . 1 1 84 84 GLU N N 84 119.063 119.063 119.929 -0.866 25576 5396 1 10 . 1 1 84 84 GLU HA H 84 4.199 4.199 4.188 0.011 25576 5397 1 10 . 1 1 84 84 GLU C C 84 177.527 177.527 176.568 0.959 25576 5398 1 10 . 1 1 84 84 GLU CA C 84 58.549 58.549 56.940 1.609 25576 5399 1 10 . 1 1 84 84 GLU CB C 84 29.993 29.993 29.878 0.115 25576 5400 1 10 . 1 1 84 84 GLU H H 84 8.341 8.341 8.564 -0.223 25576 5401 1 10 . 1 1 85 85 GLU N N 85 118.840 118.840 117.578 1.262 25576 5402 1 10 . 1 1 85 85 GLU HA H 85 3.645 3.645 3.862 -0.217 25576 5403 1 10 . 1 1 85 85 GLU C C 85 175.047 175.047 175.415 -0.368 25576 5404 1 10 . 1 1 85 85 GLU CA C 85 58.846 58.846 57.923 0.923 25576 5405 1 10 . 1 1 85 85 GLU CB C 85 26.691 26.691 28.950 -2.259 25576 5406 1 10 . 1 1 85 85 GLU H H 85 9.357 9.357 9.138 0.219 25576 5407 1 10 . 1 1 86 86 ASP N N 86 120.217 120.217 119.991 0.226 25576 5408 1 10 . 1 1 86 86 ASP HA H 86 4.880 4.880 4.611 0.269 25576 5409 1 10 . 1 1 86 86 ASP C C 86 174.417 174.417 174.437 -0.020 25576 5410 1 10 . 1 1 86 86 ASP CA C 86 55.822 55.822 55.317 0.505 25576 5411 1 10 . 1 1 86 86 ASP CB C 86 41.926 41.926 42.342 -0.416 25576 5412 1 10 . 1 1 86 86 ASP H H 86 8.155 8.155 7.640 0.515 25576 5413 1 10 . 1 1 87 87 VAL N N 87 116.641 116.641 119.991 -3.350 25576 5414 1 10 . 1 1 87 87 VAL HA H 87 4.924 4.924 5.109 -0.185 25576 5415 1 10 . 1 1 87 87 VAL C C 87 176.064 176.064 174.613 1.451 25576 5416 1 10 . 1 1 87 87 VAL CA C 87 61.311 61.311 60.089 1.222 25576 5417 1 10 . 1 1 87 87 VAL CB C 87 35.067 35.067 34.993 0.074 25576 5418 1 10 . 1 1 87 87 VAL H H 87 8.191 8.191 8.225 -0.034 25576 5419 1 10 . 1 1 88 88 ILE N N 88 127.353 127.353 125.975 1.378 25576 5420 1 10 . 1 1 88 88 ILE HA H 88 4.845 4.845 4.601 0.244 25576 5421 1 10 . 1 1 88 88 ILE C C 88 174.967 174.967 173.914 1.053 25576 5422 1 10 . 1 1 88 88 ILE CA C 88 59.381 59.381 59.797 -0.416 25576 5423 1 10 . 1 1 88 88 ILE CB C 88 40.984 40.984 40.939 0.045 25576 5424 1 10 . 1 1 88 88 ILE H H 88 9.165 9.165 9.066 0.099 25576 5425 1 10 . 1 1 89 89 GLU N N 89 125.851 125.851 123.377 2.474 25576 5426 1 10 . 1 1 89 89 GLU HA H 89 4.820 4.820 4.691 0.129 25576 5427 1 10 . 1 1 89 89 GLU C C 89 175.262 175.262 174.881 0.381 25576 5428 1 10 . 1 1 89 89 GLU CA C 89 55.158 55.158 54.833 0.325 25576 5429 1 10 . 1 1 89 89 GLU CB C 89 33.359 33.359 32.475 0.884 25576 5430 1 10 . 1 1 89 89 GLU H H 89 8.858 8.858 8.883 -0.025 25576 5431 1 10 . 1 1 90 90 VAL N N 90 119.735 119.735 125.314 -5.579 25576 5432 1 10 . 1 1 90 90 VAL HA H 90 4.817 4.817 5.273 -0.456 25576 5433 1 10 . 1 1 90 90 VAL C C 90 174.870 174.870 174.572 0.298 25576 5434 1 10 . 1 1 90 90 VAL CA C 90 59.412 59.412 60.808 -1.396 25576 5435 1 10 . 1 1 90 90 VAL CB C 90 34.031 34.031 34.631 -0.600 25576 5436 1 10 . 1 1 90 90 VAL H H 90 7.770 7.770 8.200 -0.430 25576 5437 1 10 . 1 1 91 91 TYR N N 91 124.243 124.243 123.088 1.155 25576 5438 1 10 . 1 1 91 91 TYR HA H 91 4.621 4.621 4.801 -0.180 25576 5439 1 10 . 1 1 91 91 TYR C C 91 174.588 174.588 174.971 -0.383 25576 5440 1 10 . 1 1 91 91 TYR CA C 91 56.018 56.018 56.819 -0.801 25576 5441 1 10 . 1 1 91 91 TYR CB C 91 42.641 42.641 42.712 -0.071 25576 5442 1 10 . 1 1 91 91 TYR H H 91 8.540 8.540 9.097 -0.557 25576 5443 1 10 . 1 1 92 92 GLN N N 92 120.784 120.784 119.023 1.761 25576 5444 1 10 . 1 1 92 92 GLN HA H 92 4.529 4.529 4.468 0.061 25576 5445 1 10 . 1 1 92 92 GLN C C 92 176.679 176.679 175.609 1.070 25576 5446 1 10 . 1 1 92 92 GLN CA C 92 56.135 56.135 55.315 0.820 25576 5447 1 10 . 1 1 92 92 GLN CB C 92 29.342 29.342 30.970 -1.627 25576 5448 1 10 . 1 1 92 92 GLN H H 92 8.726 8.726 8.778 -0.052 25576 5449 1 10 . 1 1 93 93 GLU N N 93 125.131 125.131 121.701 3.430 25576 5450 1 10 . 1 1 93 93 GLU HA H 93 4.364 4.364 4.503 -0.139 25576 5451 1 10 . 1 1 93 93 GLU C C 93 176.244 176.244 176.980 -0.736 25576 5452 1 10 . 1 1 93 93 GLU CA C 93 56.111 56.111 55.808 0.303 25576 5453 1 10 . 1 1 93 93 GLU CB C 93 30.517 30.517 30.532 -0.014 25576 5454 1 10 . 1 1 93 93 GLU H H 93 8.419 8.419 9.000 -0.581 25576 5455 1 10 . 1 1 94 94 GLN N N 94 122.912 122.912 119.650 3.262 25576 5456 1 10 . 1 1 94 94 GLN HA H 94 4.439 4.439 4.225 0.214 25576 5457 1 10 . 1 1 94 94 GLN C C 94 176.135 176.135 176.624 -0.489 25576 5458 1 10 . 1 1 94 94 GLN CA C 94 55.585 55.585 56.676 -1.091 25576 5459 1 10 . 1 1 94 94 GLN CB C 94 29.513 29.513 29.095 0.418 25576 5460 1 10 . 1 1 94 94 GLN H H 94 8.780 8.780 7.783 0.997 25576 5461 1 10 . 1 1 95 95 THR N N 95 116.094 116.094 113.367 2.727 25576 5462 1 10 . 1 1 95 95 THR HA H 95 4.294 4.294 4.274 0.020 25576 5463 1 10 . 1 1 95 95 THR C C 95 175.136 175.136 175.844 -0.708 25576 5464 1 10 . 1 1 95 95 THR CA C 95 61.971 61.971 63.306 -1.335 25576 5465 1 10 . 1 1 95 95 THR CB C 95 69.829 69.829 69.269 0.560 25576 5466 1 10 . 1 1 95 95 THR H H 95 8.392 8.392 8.442 -0.050 25576 5467 1 10 . 1 1 96 96 GLY N N 96 111.858 111.858 108.796 3.062 25576 5468 1 10 . 1 1 96 96 GLY C C 96 173.704 173.704 173.841 -0.137 25576 5469 1 10 . 1 1 96 96 GLY CA C 96 45.424 45.424 44.789 0.635 25576 5470 1 10 . 1 1 96 96 GLY H H 96 8.508 8.508 8.129 0.379 25576 5471 1 11 . 1 1 2 2 SER N N 2 116.367 116.367 116.208 0.159 25576 5472 1 11 . 1 1 2 2 SER HA H 2 4.458 4.458 4.533 -0.075 25576 5473 1 11 . 1 1 2 2 SER C C 2 174.579 174.579 174.011 0.568 25576 5474 1 11 . 1 1 2 2 SER CA C 2 58.539 58.539 59.410 -0.871 25576 5475 1 11 . 1 1 2 2 SER CB C 2 63.940 63.940 63.974 -0.034 25576 5476 1 11 . 1 1 2 2 SER H H 2 8.127 8.127 8.011 0.116 25576 5477 1 11 . 1 1 3 3 ASP N N 3 122.355 122.355 118.382 3.973 25576 5478 1 11 . 1 1 3 3 ASP HA H 3 4.566 4.566 4.782 -0.216 25576 5479 1 11 . 1 1 3 3 ASP C C 3 176.445 176.445 175.538 0.907 25576 5480 1 11 . 1 1 3 3 ASP CA C 3 54.819 54.819 53.999 0.820 25576 5481 1 11 . 1 1 3 3 ASP CB C 3 40.939 40.939 40.954 -0.015 25576 5482 1 11 . 1 1 3 3 ASP H H 3 8.360 8.360 8.337 0.023 25576 5483 1 11 . 1 1 4 4 GLN N N 4 119.955 119.955 119.169 0.786 25576 5484 1 11 . 1 1 4 4 GLN HA H 4 4.262 4.262 4.379 -0.117 25576 5485 1 11 . 1 1 4 4 GLN C C 4 176.138 176.138 174.891 1.247 25576 5486 1 11 . 1 1 4 4 GLN CA C 4 55.933 55.933 56.297 -0.364 25576 5487 1 11 . 1 1 4 4 GLN CB C 4 29.411 29.411 28.977 0.434 25576 5488 1 11 . 1 1 4 4 GLN H H 4 8.250 8.250 8.529 -0.279 25576 5489 1 11 . 1 1 5 5 GLU N N 5 121.392 121.392 118.261 3.131 25576 5490 1 11 . 1 1 5 5 GLU HA H 5 4.203 4.203 4.603 -0.400 25576 5491 1 11 . 1 1 5 5 GLU C C 5 176.137 176.137 174.767 1.370 25576 5492 1 11 . 1 1 5 5 GLU CA C 5 56.480 56.480 55.178 1.302 25576 5493 1 11 . 1 1 5 5 GLU CB C 5 30.261 30.261 32.365 -2.104 25576 5494 1 11 . 1 1 5 5 GLU H H 5 8.292 8.292 7.721 0.571 25576 5495 1 11 . 1 1 6 6 ALA N N 6 125.339 125.339 122.879 2.460 25576 5496 1 11 . 1 1 6 6 ALA HA H 6 4.261 4.261 4.608 -0.347 25576 5497 1 11 . 1 1 6 6 ALA C C 6 177.348 177.348 175.976 1.372 25576 5498 1 11 . 1 1 6 6 ALA CA C 6 52.319 52.319 51.443 0.876 25576 5499 1 11 . 1 1 6 6 ALA CB C 6 19.120 19.120 20.700 -1.580 25576 5500 1 11 . 1 1 6 6 ALA H H 6 8.253 8.253 8.227 0.026 25576 5501 1 11 . 1 1 7 7 LYS N N 7 122.299 122.299 120.452 1.847 25576 5502 1 11 . 1 1 7 7 LYS HA H 7 4.573 4.573 4.694 -0.121 25576 5503 1 11 . 1 1 7 7 LYS CA C 7 54.062 54.062 54.924 -0.862 25576 5504 1 11 . 1 1 7 7 LYS CB C 7 32.588 32.588 32.288 0.300 25576 5505 1 11 . 1 1 7 7 LYS H H 7 8.302 8.302 8.352 -0.050 25576 5506 1 11 . 1 1 8 8 PRO HA H 8 4.425 4.425 4.395 0.030 25576 5507 1 11 . 1 1 8 8 PRO C C 8 177.020 177.020 176.468 0.552 25576 5508 1 11 . 1 1 8 8 PRO CA C 8 63.029 63.029 63.632 -0.603 25576 5509 1 11 . 1 1 8 8 PRO CB C 8 32.158 32.158 31.837 0.321 25576 5510 1 11 . 1 1 9 9 SER N N 9 116.888 116.888 117.729 -0.841 25576 5511 1 11 . 1 1 9 9 SER HA H 9 4.479 4.479 4.597 -0.118 25576 5512 1 11 . 1 1 9 9 SER C C 9 174.261 174.261 174.589 -0.328 25576 5513 1 11 . 1 1 9 9 SER CA C 9 58.299 58.299 57.575 0.724 25576 5514 1 11 . 1 1 9 9 SER CB C 9 63.848 63.848 65.188 -1.340 25576 5515 1 11 . 1 1 9 9 SER H H 9 8.596 8.596 8.056 0.540 25576 5516 1 11 . 1 1 10 10 THR N N 10 115.838 115.838 116.172 -0.334 25576 5517 1 11 . 1 1 10 10 THR HA H 10 4.334 4.334 4.432 -0.098 25576 5518 1 11 . 1 1 10 10 THR C C 10 176.158 176.158 173.724 2.434 25576 5519 1 11 . 1 1 10 10 THR CA C 10 61.966 61.966 63.014 -1.048 25576 5520 1 11 . 1 1 10 10 THR CB C 10 69.581 69.581 69.190 0.391 25576 5521 1 11 . 1 1 10 10 THR H H 10 8.247 8.247 8.390 -0.143 25576 5522 1 11 . 1 1 11 11 GLU N N 11 122.975 122.975 121.928 1.047 25576 5523 1 11 . 1 1 11 11 GLU HA H 11 4.237 4.237 4.561 -0.324 25576 5524 1 11 . 1 1 11 11 GLU C C 11 175.920 175.920 174.360 1.560 25576 5525 1 11 . 1 1 11 11 GLU CA C 11 56.779 56.779 55.673 1.105 25576 5526 1 11 . 1 1 11 11 GLU CB C 11 29.869 29.869 33.586 -3.717 25576 5527 1 11 . 1 1 11 11 GLU H H 11 8.355 8.355 7.614 0.741 25576 5528 1 11 . 1 1 12 12 ASP N N 12 122.117 122.117 124.776 -2.659 25576 5529 1 11 . 1 1 12 12 ASP HA H 12 4.562 4.562 4.764 -0.202 25576 5530 1 11 . 1 1 12 12 ASP C C 12 176.402 176.402 175.963 0.439 25576 5531 1 11 . 1 1 12 12 ASP CA C 12 54.224 54.224 54.771 -0.547 25576 5532 1 11 . 1 1 12 12 ASP CB C 12 41.161 41.161 41.654 -0.493 25576 5533 1 11 . 1 1 12 12 ASP H H 12 8.411 8.411 8.536 -0.125 25576 5534 1 11 . 1 1 13 13 LEU N N 13 123.695 123.695 123.071 0.624 25576 5535 1 11 . 1 1 13 13 LEU HA H 13 4.306 4.306 4.660 -0.354 25576 5536 1 11 . 1 1 13 13 LEU C C 13 178.231 178.231 178.013 0.218 25576 5537 1 11 . 1 1 13 13 LEU CA C 13 55.384 55.384 54.716 0.668 25576 5538 1 11 . 1 1 13 13 LEU CB C 13 42.132 42.132 43.213 -1.081 25576 5539 1 11 . 1 1 13 13 LEU H H 13 8.391 8.391 8.355 0.036 25576 5540 1 11 . 1 1 14 14 GLY N N 14 108.928 108.928 108.442 0.486 25576 5541 1 11 . 1 1 14 14 GLY C C 14 174.014 174.014 173.274 0.740 25576 5542 1 11 . 1 1 14 14 GLY CA C 14 45.600 45.600 44.531 1.069 25576 5543 1 11 . 1 1 14 14 GLY H H 14 8.456 8.456 8.375 0.081 25576 5544 1 11 . 1 1 15 15 ASP N N 15 120.427 120.427 120.520 -0.093 25576 5545 1 11 . 1 1 15 15 ASP HA H 15 4.544 4.544 4.746 -0.202 25576 5546 1 11 . 1 1 15 15 ASP C C 15 176.810 176.810 175.553 1.257 25576 5547 1 11 . 1 1 15 15 ASP CA C 15 54.389 54.389 54.491 -0.102 25576 5548 1 11 . 1 1 15 15 ASP CB C 15 41.153 41.153 41.186 -0.033 25576 5549 1 11 . 1 1 15 15 ASP H H 15 8.207 8.207 8.133 0.074 25576 5550 1 11 . 1 1 16 16 LYS N N 16 121.257 121.257 122.660 -1.403 25576 5551 1 11 . 1 1 16 16 LYS HA H 16 4.269 4.269 4.607 -0.338 25576 5552 1 11 . 1 1 16 16 LYS C C 16 176.470 176.470 175.442 1.028 25576 5553 1 11 . 1 1 16 16 LYS CA C 16 56.579 56.579 55.299 1.280 25576 5554 1 11 . 1 1 16 16 LYS CB C 16 29.470 29.470 34.557 -5.087 25576 5555 1 11 . 1 1 16 16 LYS H H 16 8.302 8.302 8.403 -0.101 25576 5556 1 11 . 1 1 17 17 LYS N N 17 122.205 122.205 120.778 1.427 25576 5557 1 11 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.432 -0.165 25576 5558 1 11 . 1 1 17 17 LYS C C 17 176.837 176.837 175.407 1.430 25576 5559 1 11 . 1 1 17 17 LYS CA C 17 56.177 56.177 56.213 -0.036 25576 5560 1 11 . 1 1 17 17 LYS CB C 17 32.684 32.684 33.581 -0.897 25576 5561 1 11 . 1 1 17 17 LYS H H 17 8.383 8.383 8.491 -0.108 25576 5562 1 11 . 1 1 18 18 GLU N N 18 121.859 121.859 119.366 2.493 25576 5563 1 11 . 1 1 18 18 GLU HA H 18 4.252 4.252 4.711 -0.459 25576 5564 1 11 . 1 1 18 18 GLU C C 18 176.964 176.964 175.014 1.950 25576 5565 1 11 . 1 1 18 18 GLU CA C 18 57.094 57.094 54.831 2.263 25576 5566 1 11 . 1 1 18 18 GLU CB C 18 30.261 30.261 31.933 -1.672 25576 5567 1 11 . 1 1 18 18 GLU H H 18 8.497 8.497 8.991 -0.494 25576 5568 1 11 . 1 1 19 19 GLY N N 19 109.716 109.716 108.393 1.323 25576 5569 1 11 . 1 1 19 19 GLY C C 19 173.520 173.520 173.158 0.362 25576 5570 1 11 . 1 1 19 19 GLY CA C 19 45.386 45.386 44.952 0.434 25576 5571 1 11 . 1 1 19 19 GLY H H 19 8.447 8.447 8.593 -0.146 25576 5572 1 11 . 1 1 20 20 GLU N N 20 119.640 119.640 119.030 0.610 25576 5573 1 11 . 1 1 20 20 GLU HA H 20 4.255 4.255 3.951 0.304 25576 5574 1 11 . 1 1 20 20 GLU C C 20 175.453 175.453 174.525 0.928 25576 5575 1 11 . 1 1 20 20 GLU CA C 20 56.726 56.726 56.983 -0.257 25576 5576 1 11 . 1 1 20 20 GLU CB C 20 30.806 30.806 28.778 2.028 25576 5577 1 11 . 1 1 20 20 GLU H H 20 8.227 8.227 8.550 -0.323 25576 5578 1 11 . 1 1 21 21 TYR N N 21 119.301 119.301 113.719 5.582 25576 5579 1 11 . 1 1 21 21 TYR HA H 21 5.083 5.083 4.743 0.340 25576 5580 1 11 . 1 1 21 21 TYR C C 21 175.805 175.805 174.264 1.541 25576 5581 1 11 . 1 1 21 21 TYR CA C 21 57.427 57.427 56.247 1.180 25576 5582 1 11 . 1 1 21 21 TYR CB C 21 41.620 41.620 40.532 1.088 25576 5583 1 11 . 1 1 21 21 TYR H H 21 8.367 8.367 7.219 1.148 25576 5584 1 11 . 1 1 22 22 ILE N N 22 116.642 116.642 116.970 -0.328 25576 5585 1 11 . 1 1 22 22 ILE HA H 22 4.787 4.787 4.663 0.124 25576 5586 1 11 . 1 1 22 22 ILE C C 22 173.467 173.467 174.589 -1.122 25576 5587 1 11 . 1 1 22 22 ILE CA C 22 59.685 59.685 59.311 0.374 25576 5588 1 11 . 1 1 22 22 ILE CB C 22 42.383 42.383 41.617 0.766 25576 5589 1 11 . 1 1 22 22 ILE H H 22 9.151 9.151 9.199 -0.048 25576 5590 1 11 . 1 1 23 23 LYS N N 23 124.306 124.306 119.569 4.737 25576 5591 1 11 . 1 1 23 23 LYS HA H 23 5.289 5.289 5.159 0.130 25576 5592 1 11 . 1 1 23 23 LYS C C 23 175.553 175.553 175.788 -0.235 25576 5593 1 11 . 1 1 23 23 LYS CA C 23 55.629 55.629 55.471 0.158 25576 5594 1 11 . 1 1 23 23 LYS CB C 23 33.744 33.744 34.572 -0.828 25576 5595 1 11 . 1 1 23 23 LYS H H 23 8.623 8.623 8.265 0.358 25576 5596 1 11 . 1 1 24 24 LEU N N 24 124.177 124.177 121.462 2.715 25576 5597 1 11 . 1 1 24 24 LEU HA H 24 4.974 4.974 5.139 -0.165 25576 5598 1 11 . 1 1 24 24 LEU C C 24 175.910 175.910 174.268 1.642 25576 5599 1 11 . 1 1 24 24 LEU CA C 24 52.835 52.835 54.151 -1.316 25576 5600 1 11 . 1 1 24 24 LEU CB C 24 46.661 46.661 47.184 -0.523 25576 5601 1 11 . 1 1 24 24 LEU H H 24 8.940 8.940 9.203 -0.263 25576 5602 1 11 . 1 1 25 25 LYS N N 25 120.635 120.635 120.780 -0.145 25576 5603 1 11 . 1 1 25 25 LYS HA H 25 4.714 4.714 4.842 -0.128 25576 5604 1 11 . 1 1 25 25 LYS C C 25 174.125 174.125 174.107 0.018 25576 5605 1 11 . 1 1 25 25 LYS CA C 25 55.122 55.122 53.422 1.700 25576 5606 1 11 . 1 1 25 25 LYS CB C 25 34.919 34.919 36.542 -1.623 25576 5607 1 11 . 1 1 25 25 LYS H H 25 8.621 8.621 8.818 -0.197 25576 5608 1 11 . 1 1 26 26 VAL N N 26 124.130 124.130 124.724 -0.594 25576 5609 1 11 . 1 1 26 26 VAL HA H 26 5.043 5.043 4.628 0.415 25576 5610 1 11 . 1 1 26 26 VAL C C 26 176.195 176.195 174.314 1.881 25576 5611 1 11 . 1 1 26 26 VAL CA C 26 61.193 61.193 60.629 0.564 25576 5612 1 11 . 1 1 26 26 VAL CB C 26 32.270 32.270 35.658 -3.389 25576 5613 1 11 . 1 1 26 26 VAL H H 26 9.113 9.113 8.640 0.473 25576 5614 1 11 . 1 1 27 27 ILE N N 27 128.245 128.245 127.268 0.977 25576 5615 1 11 . 1 1 27 27 ILE HA H 27 5.012 5.012 4.536 0.476 25576 5616 1 11 . 1 1 27 27 ILE C C 27 175.976 175.976 175.349 0.627 25576 5617 1 11 . 1 1 27 27 ILE CA C 27 59.910 59.910 58.427 1.483 25576 5618 1 11 . 1 1 27 27 ILE CB C 27 39.851 39.851 37.383 2.468 25576 5619 1 11 . 1 1 27 27 ILE H H 27 9.063 9.063 8.499 0.564 25576 5620 1 11 . 1 1 28 28 GLY N N 28 113.332 113.332 113.028 0.304 25576 5621 1 11 . 1 1 28 28 GLY C C 28 175.505 175.505 175.462 0.043 25576 5622 1 11 . 1 1 28 28 GLY CA C 28 43.958 43.958 43.930 0.028 25576 5623 1 11 . 1 1 28 28 GLY H H 28 8.485 8.485 8.231 0.254 25576 5624 1 11 . 1 1 29 29 GLN N N 29 120.493 120.493 119.635 0.858 25576 5625 1 11 . 1 1 29 29 GLN HA H 29 4.113 4.113 3.998 0.115 25576 5626 1 11 . 1 1 29 29 GLN C C 29 176.003 176.003 176.513 -0.510 25576 5627 1 11 . 1 1 29 29 GLN CA C 29 57.808 57.808 57.844 -0.036 25576 5628 1 11 . 1 1 29 29 GLN CB C 29 28.735 28.735 28.105 0.630 25576 5629 1 11 . 1 1 29 29 GLN H H 29 8.768 8.768 8.726 0.042 25576 5630 1 11 . 1 1 30 30 ASP N N 30 118.342 118.342 117.972 0.370 25576 5631 1 11 . 1 1 30 30 ASP HA H 30 4.537 4.537 4.660 -0.123 25576 5632 1 11 . 1 1 30 30 ASP C C 30 176.461 176.461 175.418 1.043 25576 5633 1 11 . 1 1 30 30 ASP CA C 30 53.271 53.271 53.113 0.158 25576 5634 1 11 . 1 1 30 30 ASP CB C 30 39.867 39.867 40.483 -0.616 25576 5635 1 11 . 1 1 30 30 ASP H H 30 8.335 8.335 7.810 0.525 25576 5636 1 11 . 1 1 31 31 SER N N 31 111.069 111.069 112.457 -1.388 25576 5637 1 11 . 1 1 31 31 SER HA H 31 4.044 4.044 4.037 0.007 25576 5638 1 11 . 1 1 31 31 SER C C 31 173.554 173.554 173.132 0.422 25576 5639 1 11 . 1 1 31 31 SER CA C 31 60.529 60.529 58.568 1.961 25576 5640 1 11 . 1 1 31 31 SER CB C 31 62.268 62.268 62.441 -0.173 25576 5641 1 11 . 1 1 31 31 SER H H 31 7.997 7.997 8.004 -0.007 25576 5642 1 11 . 1 1 32 32 SER N N 32 117.489 117.489 116.282 1.207 25576 5643 1 11 . 1 1 32 32 SER HA H 32 4.380 4.380 4.350 0.030 25576 5644 1 11 . 1 1 32 32 SER C C 32 173.550 173.550 174.539 -0.989 25576 5645 1 11 . 1 1 32 32 SER CA C 32 58.590 58.590 59.067 -0.477 25576 5646 1 11 . 1 1 32 32 SER CB C 32 64.008 64.008 63.736 0.272 25576 5647 1 11 . 1 1 32 32 SER H H 32 8.081 8.081 7.878 0.203 25576 5648 1 11 . 1 1 33 33 GLU N N 33 121.738 121.738 129.345 -7.607 25576 5649 1 11 . 1 1 33 33 GLU HA H 33 5.131 5.131 5.176 -0.045 25576 5650 1 11 . 1 1 33 33 GLU C C 33 175.317 175.317 175.838 -0.521 25576 5651 1 11 . 1 1 33 33 GLU CA C 33 55.212 55.212 55.548 -0.336 25576 5652 1 11 . 1 1 33 33 GLU CB C 33 32.596 32.596 30.340 2.256 25576 5653 1 11 . 1 1 33 33 GLU H H 33 8.616 8.616 8.601 0.015 25576 5654 1 11 . 1 1 34 34 ILE N N 34 124.389 124.389 124.928 -0.539 25576 5655 1 11 . 1 1 34 34 ILE HA H 34 4.359 4.359 4.461 -0.102 25576 5656 1 11 . 1 1 34 34 ILE C C 34 174.612 174.612 175.040 -0.428 25576 5657 1 11 . 1 1 34 34 ILE CA C 34 60.266 60.266 59.605 0.661 25576 5658 1 11 . 1 1 34 34 ILE CB C 34 40.906 40.906 39.583 1.323 25576 5659 1 11 . 1 1 34 34 ILE H H 34 8.670 8.670 8.330 0.340 25576 5660 1 11 . 1 1 35 35 HIS N N 35 125.683 125.683 125.130 0.553 25576 5661 1 11 . 1 1 35 35 HIS HA H 35 5.597 5.597 4.918 0.679 25576 5662 1 11 . 1 1 35 35 HIS C C 35 174.902 174.902 174.557 0.345 25576 5663 1 11 . 1 1 35 35 HIS CA C 35 54.765 54.765 54.157 0.608 25576 5664 1 11 . 1 1 35 35 HIS CB C 35 32.411 32.411 32.538 -0.127 25576 5665 1 11 . 1 1 35 35 HIS H H 35 8.699 8.699 8.619 0.080 25576 5666 1 11 . 1 1 36 36 PHE N N 36 119.920 119.920 120.952 -1.032 25576 5667 1 11 . 1 1 36 36 PHE HA H 36 4.949 4.949 5.012 -0.063 25576 5668 1 11 . 1 1 36 36 PHE C C 36 174.000 174.000 173.488 0.512 25576 5669 1 11 . 1 1 36 36 PHE CA C 36 57.003 57.003 56.398 0.605 25576 5670 1 11 . 1 1 36 36 PHE CB C 36 44.431 44.431 41.087 3.344 25576 5671 1 11 . 1 1 36 36 PHE H H 36 9.103 9.103 8.530 0.573 25576 5672 1 11 . 1 1 37 37 LYS N N 37 123.747 123.747 123.477 0.270 25576 5673 1 11 . 1 1 37 37 LYS HA H 37 4.294 4.294 5.345 -1.051 25576 5674 1 11 . 1 1 37 37 LYS C C 37 176.145 176.145 175.489 0.656 25576 5675 1 11 . 1 1 37 37 LYS CA C 37 55.448 55.448 55.582 -0.134 25576 5676 1 11 . 1 1 37 37 LYS CB C 37 33.467 33.467 34.215 -0.748 25576 5677 1 11 . 1 1 37 37 LYS H H 37 8.787 8.787 8.518 0.269 25576 5678 1 11 . 1 1 38 38 VAL N N 38 119.736 119.736 119.588 0.148 25576 5679 1 11 . 1 1 38 38 VAL HA H 38 4.957 4.957 4.692 0.265 25576 5680 1 11 . 1 1 38 38 VAL C C 38 174.245 174.245 174.457 -0.212 25576 5681 1 11 . 1 1 38 38 VAL CA C 38 58.935 58.935 59.482 -0.547 25576 5682 1 11 . 1 1 38 38 VAL CB C 38 35.429 35.429 35.244 0.185 25576 5683 1 11 . 1 1 38 38 VAL H H 38 9.138 9.138 9.090 0.048 25576 5684 1 11 . 1 1 39 39 LYS N N 39 122.359 122.359 120.267 2.092 25576 5685 1 11 . 1 1 39 39 LYS HA H 39 3.837 3.837 4.480 -0.643 25576 5686 1 11 . 1 1 39 39 LYS C C 39 179.383 179.383 177.964 1.419 25576 5687 1 11 . 1 1 39 39 LYS CA C 39 56.814 56.814 56.635 0.179 25576 5688 1 11 . 1 1 39 39 LYS CB C 39 30.576 30.576 33.458 -2.882 25576 5689 1 11 . 1 1 39 39 LYS H H 39 8.611 8.611 8.381 0.230 25576 5690 1 11 . 1 1 40 40 MET N N 40 119.929 119.929 117.667 2.262 25576 5691 1 11 . 1 1 40 40 MET HA H 40 4.103 4.103 4.471 -0.368 25576 5692 1 11 . 1 1 40 40 MET C C 40 176.546 176.546 177.116 -0.570 25576 5693 1 11 . 1 1 40 40 MET CA C 40 57.320 57.320 58.355 -1.035 25576 5694 1 11 . 1 1 40 40 MET CB C 40 30.903 30.903 33.250 -2.347 25576 5695 1 11 . 1 1 40 40 MET H H 40 8.562 8.562 9.024 -0.462 25576 5696 1 11 . 1 1 41 41 THR N N 41 100.263 100.263 110.819 -10.556 25576 5697 1 11 . 1 1 41 41 THR HA H 41 4.349 4.349 4.353 -0.004 25576 5698 1 11 . 1 1 41 41 THR C C 41 174.506 174.506 174.278 0.228 25576 5699 1 11 . 1 1 41 41 THR CA C 41 60.147 60.147 61.502 -1.355 25576 5700 1 11 . 1 1 41 41 THR CB C 41 68.836 68.836 68.076 0.760 25576 5701 1 11 . 1 1 41 41 THR H H 41 6.974 6.974 8.118 -1.144 25576 5702 1 11 . 1 1 42 42 THR N N 42 120.616 120.616 115.884 4.732 25576 5703 1 11 . 1 1 42 42 THR HA H 42 4.187 4.187 4.478 -0.291 25576 5704 1 11 . 1 1 42 42 THR C C 42 174.052 174.052 172.940 1.112 25576 5705 1 11 . 1 1 42 42 THR CA C 42 63.153 63.153 60.047 3.106 25576 5706 1 11 . 1 1 42 42 THR CB C 42 69.645 69.645 70.613 -0.968 25576 5707 1 11 . 1 1 42 42 THR H H 42 7.192 7.192 7.295 -0.103 25576 5708 1 11 . 1 1 43 43 HIS N N 43 126.236 126.236 119.962 6.274 25576 5709 1 11 . 1 1 43 43 HIS HA H 43 4.411 4.411 4.568 -0.157 25576 5710 1 11 . 1 1 43 43 HIS C C 43 178.431 178.431 176.576 1.855 25576 5711 1 11 . 1 1 43 43 HIS CA C 43 57.366 57.366 55.630 1.736 25576 5712 1 11 . 1 1 43 43 HIS CB C 43 30.155 30.155 31.289 -1.134 25576 5713 1 11 . 1 1 43 43 HIS H H 43 8.807 8.807 8.520 0.287 25576 5714 1 11 . 1 1 44 44 LEU N N 44 124.757 124.757 124.087 0.670 25576 5715 1 11 . 1 1 44 44 LEU HA H 44 3.983 3.983 4.120 -0.137 25576 5716 1 11 . 1 1 44 44 LEU C C 44 177.051 177.051 178.045 -0.994 25576 5717 1 11 . 1 1 44 44 LEU CA C 44 58.790 58.790 55.967 2.823 25576 5718 1 11 . 1 1 44 44 LEU CB C 44 41.240 41.240 40.889 0.351 25576 5719 1 11 . 1 1 44 44 LEU H H 44 9.349 9.349 9.058 0.291 25576 5720 1 11 . 1 1 45 45 LYS N N 45 121.424 121.424 119.138 2.286 25576 5721 1 11 . 1 1 45 45 LYS HA H 45 3.584 3.584 3.874 -0.290 25576 5722 1 11 . 1 1 45 45 LYS C C 45 176.867 176.867 178.282 -1.415 25576 5723 1 11 . 1 1 45 45 LYS CA C 45 60.662 60.662 59.271 1.391 25576 5724 1 11 . 1 1 45 45 LYS CB C 45 33.389 33.389 31.361 2.028 25576 5725 1 11 . 1 1 45 45 LYS H H 45 8.543 8.543 7.760 0.783 25576 5726 1 11 . 1 1 46 46 LYS N N 46 114.033 114.033 118.361 -4.328 25576 5727 1 11 . 1 1 46 46 LYS HA H 46 4.087 4.087 4.119 -0.032 25576 5728 1 11 . 1 1 46 46 LYS C C 46 178.977 178.977 178.396 0.581 25576 5729 1 11 . 1 1 46 46 LYS CA C 46 58.615 58.615 58.309 0.306 25576 5730 1 11 . 1 1 46 46 LYS CB C 46 31.643 31.643 31.598 0.045 25576 5731 1 11 . 1 1 46 46 LYS H H 46 7.517 7.517 7.444 0.073 25576 5732 1 11 . 1 1 47 47 LEU N N 47 121.871 121.871 121.976 -0.105 25576 5733 1 11 . 1 1 47 47 LEU HA H 47 3.660 3.660 3.836 -0.176 25576 5734 1 11 . 1 1 47 47 LEU C C 47 177.575 177.575 177.671 -0.096 25576 5735 1 11 . 1 1 47 47 LEU CA C 47 58.514 58.514 57.902 0.612 25576 5736 1 11 . 1 1 47 47 LEU CB C 47 41.890 41.890 41.944 -0.054 25576 5737 1 11 . 1 1 47 47 LEU H H 47 6.739 6.739 7.298 -0.559 25576 5738 1 11 . 1 1 48 48 LYS N N 48 118.246 118.246 118.236 0.010 25576 5739 1 11 . 1 1 48 48 LYS HA H 48 3.081 3.081 4.091 -1.010 25576 5740 1 11 . 1 1 48 48 LYS C C 48 178.700 178.700 178.675 0.025 25576 5741 1 11 . 1 1 48 48 LYS CA C 48 59.712 59.712 59.646 0.066 25576 5742 1 11 . 1 1 48 48 LYS CB C 48 32.411 32.411 31.542 0.869 25576 5743 1 11 . 1 1 48 48 LYS H H 48 7.556 7.556 8.487 -0.931 25576 5744 1 11 . 1 1 49 49 GLU N N 49 118.092 118.092 118.505 -0.413 25576 5745 1 11 . 1 1 49 49 GLU HA H 49 3.973 3.973 3.953 0.020 25576 5746 1 11 . 1 1 49 49 GLU C C 49 179.453 179.453 178.743 0.710 25576 5747 1 11 . 1 1 49 49 GLU CA C 49 59.627 59.627 58.962 0.665 25576 5748 1 11 . 1 1 49 49 GLU CB C 49 30.120 30.120 28.479 1.641 25576 5749 1 11 . 1 1 49 49 GLU H H 49 8.500 8.500 7.972 0.528 25576 5750 1 11 . 1 1 50 50 SER N N 50 115.646 115.646 116.734 -1.088 25576 5751 1 11 . 1 1 50 50 SER HA H 50 4.260 4.260 4.161 0.099 25576 5752 1 11 . 1 1 50 50 SER C C 50 177.171 177.171 176.622 0.549 25576 5753 1 11 . 1 1 50 50 SER CA C 50 61.947 61.947 61.149 0.798 25576 5754 1 11 . 1 1 50 50 SER CB C 50 63.258 63.258 62.953 0.305 25576 5755 1 11 . 1 1 50 50 SER H H 50 7.966 7.966 7.558 0.408 25576 5756 1 11 . 1 1 51 51 TYR N N 51 122.610 122.610 119.656 2.954 25576 5757 1 11 . 1 1 51 51 TYR HA H 51 4.026 4.026 4.479 -0.453 25576 5758 1 11 . 1 1 51 51 TYR C C 51 177.374 177.374 177.353 0.021 25576 5759 1 11 . 1 1 51 51 TYR CA C 51 63.608 63.608 59.908 3.700 25576 5760 1 11 . 1 1 51 51 TYR CB C 51 38.618 38.618 37.273 1.345 25576 5761 1 11 . 1 1 51 51 TYR H H 51 8.833 8.833 7.985 0.848 25576 5762 1 11 . 1 1 52 52 CYS N N 52 117.395 117.395 119.675 -2.280 25576 5763 1 11 . 1 1 52 52 CYS HA H 52 3.915 3.915 3.801 0.114 25576 5764 1 11 . 1 1 52 52 CYS C C 52 177.182 177.182 176.650 0.532 25576 5765 1 11 . 1 1 52 52 CYS CA C 52 65.108 65.108 64.326 0.782 25576 5766 1 11 . 1 1 52 52 CYS CB C 52 26.151 26.151 27.221 -1.070 25576 5767 1 11 . 1 1 52 52 CYS H H 52 8.676 8.676 7.264 1.412 25576 5768 1 11 . 1 1 53 53 GLN N N 53 119.196 119.196 118.926 0.270 25576 5769 1 11 . 1 1 53 53 GLN HA H 53 4.109 4.109 3.973 0.136 25576 5770 1 11 . 1 1 53 53 GLN C C 53 179.105 179.105 178.135 0.970 25576 5771 1 11 . 1 1 53 53 GLN CA C 53 58.973 58.973 58.310 0.663 25576 5772 1 11 . 1 1 53 53 GLN CB C 53 28.211 28.211 27.941 0.270 25576 5773 1 11 . 1 1 53 53 GLN H H 53 8.322 8.322 8.221 0.101 25576 5774 1 11 . 1 1 54 54 ARG N N 54 120.139 120.139 119.423 0.716 25576 5775 1 11 . 1 1 54 54 ARG HA H 54 4.018 4.018 4.147 -0.129 25576 5776 1 11 . 1 1 54 54 ARG C C 54 178.300 178.300 178.264 0.036 25576 5777 1 11 . 1 1 54 54 ARG CA C 54 58.552 58.552 58.382 0.170 25576 5778 1 11 . 1 1 54 54 ARG CB C 54 29.669 29.669 29.853 -0.184 25576 5779 1 11 . 1 1 54 54 ARG H H 54 8.011 8.011 7.781 0.230 25576 5780 1 11 . 1 1 55 55 GLN N N 55 114.160 114.160 116.450 -2.290 25576 5781 1 11 . 1 1 55 55 GLN HA H 55 4.251 4.251 4.334 -0.083 25576 5782 1 11 . 1 1 55 55 GLN C C 55 176.410 176.410 177.010 -0.600 25576 5783 1 11 . 1 1 55 55 GLN CA C 55 55.119 55.119 56.656 -1.537 25576 5784 1 11 . 1 1 55 55 GLN CB C 55 29.424 29.424 29.508 -0.084 25576 5785 1 11 . 1 1 55 55 GLN H H 55 7.806 7.806 7.640 0.166 25576 5786 1 11 . 1 1 56 56 GLY N N 56 109.749 109.749 107.821 1.928 25576 5787 1 11 . 1 1 56 56 GLY C C 56 174.908 174.908 174.021 0.887 25576 5788 1 11 . 1 1 56 56 GLY CA C 56 46.658 46.658 45.225 1.433 25576 5789 1 11 . 1 1 56 56 GLY H H 56 7.932 7.932 7.762 0.170 25576 5790 1 11 . 1 1 57 57 VAL N N 57 111.990 111.990 115.778 -3.788 25576 5791 1 11 . 1 1 57 57 VAL HA H 57 4.941 4.941 4.709 0.232 25576 5792 1 11 . 1 1 57 57 VAL CA C 57 57.534 57.534 58.044 -0.510 25576 5793 1 11 . 1 1 57 57 VAL CB C 57 32.697 32.697 33.832 -1.135 25576 5794 1 11 . 1 1 57 57 VAL H H 57 7.651 7.651 7.444 0.207 25576 5795 1 11 . 1 1 58 58 PRO HA H 58 4.528 4.528 4.622 -0.094 25576 5796 1 11 . 1 1 58 58 PRO C C 58 179.169 179.169 177.005 2.164 25576 5797 1 11 . 1 1 58 58 PRO CA C 58 62.211 62.211 62.931 -0.721 25576 5798 1 11 . 1 1 58 58 PRO CB C 58 32.543 32.543 32.628 -0.085 25576 5799 1 11 . 1 1 59 59 MET N N 59 124.522 124.522 119.124 5.398 25576 5800 1 11 . 1 1 59 59 MET HA H 59 4.703 4.703 4.240 0.463 25576 5801 1 11 . 1 1 59 59 MET C C 59 177.459 177.459 175.921 1.538 25576 5802 1 11 . 1 1 59 59 MET CA C 59 58.247 58.247 57.707 0.540 25576 5803 1 11 . 1 1 59 59 MET CB C 59 32.795 32.795 32.495 0.300 25576 5804 1 11 . 1 1 59 59 MET H H 59 9.002 9.002 8.549 0.453 25576 5805 1 11 . 1 1 60 60 ASN N N 60 113.185 113.185 112.328 0.857 25576 5806 1 11 . 1 1 60 60 ASN HA H 60 4.673 4.673 4.656 0.017 25576 5807 1 11 . 1 1 60 60 ASN C C 60 175.674 175.674 175.904 -0.230 25576 5808 1 11 . 1 1 60 60 ASN CA C 60 53.935 53.935 54.066 -0.131 25576 5809 1 11 . 1 1 60 60 ASN CB C 60 37.217 37.217 38.327 -1.110 25576 5810 1 11 . 1 1 60 60 ASN H H 60 8.424 8.424 8.194 0.230 25576 5811 1 11 . 1 1 61 61 SER N N 61 113.092 113.092 114.825 -1.733 25576 5812 1 11 . 1 1 61 61 SER HA H 61 4.500 4.500 4.509 -0.009 25576 5813 1 11 . 1 1 61 61 SER C C 61 173.455 173.455 173.274 0.181 25576 5814 1 11 . 1 1 61 61 SER CA C 61 59.609 59.609 60.149 -0.540 25576 5815 1 11 . 1 1 61 61 SER CB C 61 64.812 64.812 64.620 0.192 25576 5816 1 11 . 1 1 61 61 SER H H 61 7.931 7.931 7.604 0.327 25576 5817 1 11 . 1 1 62 62 LEU N N 62 120.961 120.961 116.956 4.005 25576 5818 1 11 . 1 1 62 62 LEU HA H 62 5.109 5.109 5.123 -0.014 25576 5819 1 11 . 1 1 62 62 LEU C C 62 175.588 175.588 175.359 0.229 25576 5820 1 11 . 1 1 62 62 LEU CA C 62 53.575 53.575 53.106 0.469 25576 5821 1 11 . 1 1 62 62 LEU CB C 62 46.262 46.262 44.772 1.490 25576 5822 1 11 . 1 1 62 62 LEU H H 62 7.265 7.265 7.246 0.019 25576 5823 1 11 . 1 1 63 63 ARG N N 63 120.142 120.142 119.875 0.267 25576 5824 1 11 . 1 1 63 63 ARG HA H 63 4.668 4.668 4.288 0.380 25576 5825 1 11 . 1 1 63 63 ARG C C 63 172.784 172.784 175.195 -2.411 25576 5826 1 11 . 1 1 63 63 ARG CA C 63 54.488 54.488 54.588 -0.100 25576 5827 1 11 . 1 1 63 63 ARG CB C 63 33.111 33.111 32.061 1.050 25576 5828 1 11 . 1 1 63 63 ARG H H 63 8.993 8.993 8.842 0.151 25576 5829 1 11 . 1 1 64 64 PHE N N 64 122.537 122.537 121.909 0.628 25576 5830 1 11 . 1 1 64 64 PHE HA H 64 4.959 4.959 5.639 -0.680 25576 5831 1 11 . 1 1 64 64 PHE C C 64 174.150 174.150 174.421 -0.271 25576 5832 1 11 . 1 1 64 64 PHE CA C 64 56.347 56.347 54.858 1.489 25576 5833 1 11 . 1 1 64 64 PHE CB C 64 40.762 40.762 39.578 1.184 25576 5834 1 11 . 1 1 64 64 PHE H H 64 8.923 8.923 7.977 0.946 25576 5835 1 11 . 1 1 65 65 LEU N N 65 124.212 124.212 119.808 4.404 25576 5836 1 11 . 1 1 65 65 LEU HA H 65 5.290 5.290 5.726 -0.436 25576 5837 1 11 . 1 1 65 65 LEU C C 65 175.903 175.903 174.421 1.482 25576 5838 1 11 . 1 1 65 65 LEU CA C 65 53.729 53.729 53.422 0.307 25576 5839 1 11 . 1 1 65 65 LEU CB C 65 46.385 46.385 46.224 0.161 25576 5840 1 11 . 1 1 65 65 LEU H H 65 9.738 9.738 9.323 0.415 25576 5841 1 11 . 1 1 66 66 PHE N N 66 119.384 119.384 121.307 -1.923 25576 5842 1 11 . 1 1 66 66 PHE HA H 66 5.202 5.202 5.010 0.192 25576 5843 1 11 . 1 1 66 66 PHE C C 66 175.017 175.017 174.757 0.260 25576 5844 1 11 . 1 1 66 66 PHE CA C 66 56.291 56.291 57.289 -0.998 25576 5845 1 11 . 1 1 66 66 PHE CB C 66 41.700 41.700 42.749 -1.049 25576 5846 1 11 . 1 1 66 66 PHE H H 66 8.968 8.968 9.066 -0.098 25576 5847 1 11 . 1 1 67 67 GLU N N 67 129.196 129.196 124.681 4.515 25576 5848 1 11 . 1 1 67 67 GLU HA H 67 3.540 3.540 3.590 -0.050 25576 5849 1 11 . 1 1 67 67 GLU C C 67 176.778 176.778 176.151 0.627 25576 5850 1 11 . 1 1 67 67 GLU CA C 67 56.769 56.769 56.850 -0.081 25576 5851 1 11 . 1 1 67 67 GLU CB C 67 26.897 26.897 27.405 -0.509 25576 5852 1 11 . 1 1 67 67 GLU H H 67 9.381 9.381 8.777 0.604 25576 5853 1 11 . 1 1 68 68 GLY N N 68 103.263 103.263 104.858 -1.595 25576 5854 1 11 . 1 1 68 68 GLY C C 68 173.651 173.651 172.901 0.750 25576 5855 1 11 . 1 1 68 68 GLY CA C 68 45.476 45.476 45.017 0.459 25576 5856 1 11 . 1 1 68 68 GLY H H 68 8.858 8.858 8.279 0.579 25576 5857 1 11 . 1 1 69 69 GLN N N 69 120.732 120.732 118.415 2.317 25576 5858 1 11 . 1 1 69 69 GLN HA H 69 4.589 4.589 4.743 -0.154 25576 5859 1 11 . 1 1 69 69 GLN C C 69 175.204 175.204 174.753 0.451 25576 5860 1 11 . 1 1 69 69 GLN CA C 69 53.776 53.776 53.749 0.027 25576 5861 1 11 . 1 1 69 69 GLN CB C 69 30.660 30.660 31.875 -1.215 25576 5862 1 11 . 1 1 69 69 GLN H H 69 7.996 7.996 8.076 -0.080 25576 5863 1 11 . 1 1 70 70 ARG N N 70 125.102 125.102 124.891 0.211 25576 5864 1 11 . 1 1 70 70 ARG HA H 70 4.395 4.395 4.670 -0.275 25576 5865 1 11 . 1 1 70 70 ARG C C 70 177.004 177.004 175.528 1.476 25576 5866 1 11 . 1 1 70 70 ARG CA C 70 57.305 57.305 55.616 1.689 25576 5867 1 11 . 1 1 70 70 ARG CB C 70 30.511 30.511 30.691 -0.180 25576 5868 1 11 . 1 1 70 70 ARG H H 70 8.823 8.823 8.764 0.059 25576 5869 1 11 . 1 1 71 71 ILE N N 71 126.949 126.949 123.443 3.506 25576 5870 1 11 . 1 1 71 71 ILE HA H 71 4.477 4.477 4.411 0.066 25576 5871 1 11 . 1 1 71 71 ILE C C 71 176.145 176.145 175.541 0.604 25576 5872 1 11 . 1 1 71 71 ILE CA C 71 61.337 61.337 59.660 1.677 25576 5873 1 11 . 1 1 71 71 ILE CB C 71 39.067 39.067 36.568 2.499 25576 5874 1 11 . 1 1 71 71 ILE H H 71 9.020 9.020 8.563 0.457 25576 5875 1 11 . 1 1 72 72 ALA N N 72 139.307 139.307 130.994 8.313 25576 5876 1 11 . 1 1 72 72 ALA HA H 72 4.334 4.334 4.452 -0.118 25576 5877 1 11 . 1 1 72 72 ALA C C 72 177.973 177.973 178.129 -0.156 25576 5878 1 11 . 1 1 72 72 ALA CA C 72 50.785 50.785 50.180 0.605 25576 5879 1 11 . 1 1 72 72 ALA CB C 72 18.407 18.407 20.977 -2.570 25576 5880 1 11 . 1 1 72 72 ALA H H 72 10.910 10.910 7.975 2.935 25576 5881 1 11 . 1 1 73 73 ASP N N 73 120.493 120.493 119.271 1.222 25576 5882 1 11 . 1 1 73 73 ASP HA H 73 3.823 3.823 4.262 -0.439 25576 5883 1 11 . 1 1 73 73 ASP C C 73 176.104 176.104 176.519 -0.415 25576 5884 1 11 . 1 1 73 73 ASP CA C 73 57.113 57.113 56.947 0.166 25576 5885 1 11 . 1 1 73 73 ASP CB C 73 40.032 40.032 40.789 -0.757 25576 5886 1 11 . 1 1 73 73 ASP H H 73 8.770 8.770 8.625 0.145 25576 5887 1 11 . 1 1 74 74 ASN N N 74 109.526 109.526 114.595 -5.069 25576 5888 1 11 . 1 1 74 74 ASN HA H 74 4.245 4.245 4.199 0.046 25576 5889 1 11 . 1 1 74 74 ASN C C 74 176.050 176.050 174.644 1.406 25576 5890 1 11 . 1 1 74 74 ASN CA C 74 52.073 52.073 52.544 -0.471 25576 5891 1 11 . 1 1 74 74 ASN CB C 74 37.343 37.343 38.579 -1.236 25576 5892 1 11 . 1 1 74 74 ASN H H 74 7.738 7.738 8.167 -0.429 25576 5893 1 11 . 1 1 75 75 HIS N N 75 119.821 119.821 120.648 -0.827 25576 5894 1 11 . 1 1 75 75 HIS HA H 75 4.908 4.908 4.641 0.267 25576 5895 1 11 . 1 1 75 75 HIS C C 75 175.680 175.680 174.043 1.637 25576 5896 1 11 . 1 1 75 75 HIS CA C 75 56.606 56.606 55.688 0.918 25576 5897 1 11 . 1 1 75 75 HIS CB C 75 33.549 33.549 31.279 2.270 25576 5898 1 11 . 1 1 75 75 HIS H H 75 7.149 7.149 7.522 -0.373 25576 5899 1 11 . 1 1 76 76 THR N N 76 108.304 108.304 114.639 -6.335 25576 5900 1 11 . 1 1 76 76 THR HA H 76 5.197 5.197 5.182 0.015 25576 5901 1 11 . 1 1 76 76 THR CA C 76 57.594 57.594 57.736 -0.142 25576 5902 1 11 . 1 1 76 76 THR CB C 76 70.033 70.033 70.945 -0.912 25576 5903 1 11 . 1 1 76 76 THR H H 76 7.303 7.303 8.340 -1.037 25576 5904 1 11 . 1 1 77 77 PRO HA H 77 4.241 4.241 4.133 0.108 25576 5905 1 11 . 1 1 77 77 PRO C C 77 178.445 178.445 178.015 0.430 25576 5906 1 11 . 1 1 77 77 PRO CA C 77 65.724 65.724 65.244 0.480 25576 5907 1 11 . 1 1 77 77 PRO CB C 77 32.479 32.479 31.840 0.639 25576 5908 1 11 . 1 1 78 78 LYS N N 78 115.329 115.329 115.931 -0.602 25576 5909 1 11 . 1 1 78 78 LYS HA H 78 3.956 3.956 4.067 -0.111 25576 5910 1 11 . 1 1 78 78 LYS C C 78 179.328 179.328 178.803 0.525 25576 5911 1 11 . 1 1 78 78 LYS CA C 78 59.012 59.012 59.092 -0.080 25576 5912 1 11 . 1 1 78 78 LYS CB C 78 32.845 32.845 31.605 1.240 25576 5913 1 11 . 1 1 78 78 LYS H H 78 8.073 8.073 7.604 0.469 25576 5914 1 11 . 1 1 79 79 GLU N N 79 120.840 120.840 119.696 1.144 25576 5915 1 11 . 1 1 79 79 GLU HA H 79 3.957 3.957 4.126 -0.169 25576 5916 1 11 . 1 1 79 79 GLU C C 79 178.566 178.566 178.433 0.133 25576 5917 1 11 . 1 1 79 79 GLU CA C 79 58.790 58.790 58.486 0.304 25576 5918 1 11 . 1 1 79 79 GLU CB C 79 30.290 30.290 29.474 0.816 25576 5919 1 11 . 1 1 79 79 GLU H H 79 7.978 7.978 7.475 0.503 25576 5920 1 11 . 1 1 80 80 LEU N N 80 115.072 115.072 117.344 -2.272 25576 5921 1 11 . 1 1 80 80 LEU HA H 80 4.222 4.222 4.303 -0.081 25576 5922 1 11 . 1 1 80 80 LEU C C 80 176.602 176.602 177.856 -1.254 25576 5923 1 11 . 1 1 80 80 LEU CA C 80 54.613 54.613 55.447 -0.834 25576 5924 1 11 . 1 1 80 80 LEU CB C 80 42.453 42.453 42.306 0.146 25576 5925 1 11 . 1 1 80 80 LEU H H 80 7.486 7.486 8.096 -0.610 25576 5926 1 11 . 1 1 81 81 GLY N N 81 108.019 108.019 106.357 1.662 25576 5927 1 11 . 1 1 81 81 GLY C C 81 175.390 175.390 174.181 1.209 25576 5928 1 11 . 1 1 81 81 GLY CA C 81 46.622 46.622 45.119 1.503 25576 5929 1 11 . 1 1 81 81 GLY H H 81 7.644 7.644 7.500 0.144 25576 5930 1 11 . 1 1 82 82 MET N N 82 117.606 117.606 117.988 -0.382 25576 5931 1 11 . 1 1 82 82 MET HA H 82 4.185 4.185 4.776 -0.591 25576 5932 1 11 . 1 1 82 82 MET C C 82 174.482 174.482 174.863 -0.381 25576 5933 1 11 . 1 1 82 82 MET CA C 82 57.019 57.019 54.819 2.200 25576 5934 1 11 . 1 1 82 82 MET CB C 82 34.089 34.089 35.438 -1.349 25576 5935 1 11 . 1 1 82 82 MET H H 82 7.628 7.628 8.229 -0.601 25576 5936 1 11 . 1 1 83 83 GLU N N 83 120.980 120.980 118.161 2.819 25576 5937 1 11 . 1 1 83 83 GLU HA H 83 4.457 4.457 4.718 -0.261 25576 5938 1 11 . 1 1 83 83 GLU C C 83 174.297 174.297 175.390 -1.093 25576 5939 1 11 . 1 1 83 83 GLU CA C 83 53.875 53.875 54.325 -0.450 25576 5940 1 11 . 1 1 83 83 GLU CB C 83 33.937 33.937 32.178 1.759 25576 5941 1 11 . 1 1 83 83 GLU H H 83 9.314 9.314 7.807 1.507 25576 5942 1 11 . 1 1 84 84 GLU N N 84 119.063 119.063 121.320 -2.257 25576 5943 1 11 . 1 1 84 84 GLU HA H 84 4.199 4.199 4.076 0.123 25576 5944 1 11 . 1 1 84 84 GLU C C 84 177.527 177.527 176.552 0.975 25576 5945 1 11 . 1 1 84 84 GLU CA C 84 58.549 58.549 56.971 1.578 25576 5946 1 11 . 1 1 84 84 GLU CB C 84 29.993 29.993 28.568 1.425 25576 5947 1 11 . 1 1 84 84 GLU H H 84 8.341 8.341 8.663 -0.322 25576 5948 1 11 . 1 1 85 85 GLU N N 85 118.840 118.840 121.669 -2.829 25576 5949 1 11 . 1 1 85 85 GLU HA H 85 3.645 3.645 3.954 -0.309 25576 5950 1 11 . 1 1 85 85 GLU C C 85 175.047 175.047 175.771 -0.724 25576 5951 1 11 . 1 1 85 85 GLU CA C 85 58.846 58.846 57.621 1.224 25576 5952 1 11 . 1 1 85 85 GLU CB C 85 26.691 26.691 29.444 -2.753 25576 5953 1 11 . 1 1 85 85 GLU H H 85 9.357 9.357 9.085 0.272 25576 5954 1 11 . 1 1 86 86 ASP N N 86 120.217 120.217 119.399 0.818 25576 5955 1 11 . 1 1 86 86 ASP HA H 86 4.880 4.880 4.592 0.288 25576 5956 1 11 . 1 1 86 86 ASP C C 86 174.417 174.417 174.206 0.211 25576 5957 1 11 . 1 1 86 86 ASP CA C 86 55.822 55.822 55.801 0.021 25576 5958 1 11 . 1 1 86 86 ASP CB C 86 41.926 41.926 42.561 -0.635 25576 5959 1 11 . 1 1 86 86 ASP H H 86 8.155 8.155 7.759 0.396 25576 5960 1 11 . 1 1 87 87 VAL N N 87 116.641 116.641 119.879 -3.238 25576 5961 1 11 . 1 1 87 87 VAL HA H 87 4.924 4.924 5.197 -0.273 25576 5962 1 11 . 1 1 87 87 VAL C C 87 176.064 176.064 174.690 1.374 25576 5963 1 11 . 1 1 87 87 VAL CA C 87 61.311 61.311 60.126 1.185 25576 5964 1 11 . 1 1 87 87 VAL CB C 87 35.067 35.067 34.977 0.090 25576 5965 1 11 . 1 1 87 87 VAL H H 87 8.191 8.191 8.312 -0.121 25576 5966 1 11 . 1 1 88 88 ILE N N 88 127.353 127.353 125.622 1.731 25576 5967 1 11 . 1 1 88 88 ILE HA H 88 4.845 4.845 4.650 0.195 25576 5968 1 11 . 1 1 88 88 ILE C C 88 174.967 174.967 173.869 1.098 25576 5969 1 11 . 1 1 88 88 ILE CA C 88 59.381 59.381 59.859 -0.478 25576 5970 1 11 . 1 1 88 88 ILE CB C 88 40.984 40.984 41.210 -0.226 25576 5971 1 11 . 1 1 88 88 ILE H H 88 9.165 9.165 9.081 0.084 25576 5972 1 11 . 1 1 89 89 GLU N N 89 125.851 125.851 123.422 2.429 25576 5973 1 11 . 1 1 89 89 GLU HA H 89 4.820 4.820 4.747 0.073 25576 5974 1 11 . 1 1 89 89 GLU C C 89 175.262 175.262 174.921 0.341 25576 5975 1 11 . 1 1 89 89 GLU CA C 89 55.158 55.158 54.627 0.531 25576 5976 1 11 . 1 1 89 89 GLU CB C 89 33.359 33.359 32.347 1.012 25576 5977 1 11 . 1 1 89 89 GLU H H 89 8.858 8.858 8.915 -0.057 25576 5978 1 11 . 1 1 90 90 VAL N N 90 119.735 119.735 126.086 -6.351 25576 5979 1 11 . 1 1 90 90 VAL HA H 90 4.817 4.817 5.429 -0.612 25576 5980 1 11 . 1 1 90 90 VAL C C 90 174.870 174.870 174.509 0.361 25576 5981 1 11 . 1 1 90 90 VAL CA C 90 59.412 59.412 60.560 -1.149 25576 5982 1 11 . 1 1 90 90 VAL CB C 90 34.031 34.031 34.494 -0.463 25576 5983 1 11 . 1 1 90 90 VAL H H 90 7.770 7.770 8.284 -0.514 25576 5984 1 11 . 1 1 91 91 TYR N N 91 124.243 124.243 124.948 -0.705 25576 5985 1 11 . 1 1 91 91 TYR HA H 91 4.621 4.621 4.745 -0.124 25576 5986 1 11 . 1 1 91 91 TYR C C 91 174.588 174.588 174.586 0.002 25576 5987 1 11 . 1 1 91 91 TYR CA C 91 56.018 56.018 57.025 -1.007 25576 5988 1 11 . 1 1 91 91 TYR CB C 91 42.641 42.641 42.218 0.423 25576 5989 1 11 . 1 1 91 91 TYR H H 91 8.540 8.540 9.256 -0.716 25576 5990 1 11 . 1 1 92 92 GLN N N 92 120.784 120.784 120.193 0.591 25576 5991 1 11 . 1 1 92 92 GLN HA H 92 4.529 4.529 4.717 -0.188 25576 5992 1 11 . 1 1 92 92 GLN C C 92 176.679 176.679 175.186 1.493 25576 5993 1 11 . 1 1 92 92 GLN CA C 92 56.135 56.135 55.255 0.880 25576 5994 1 11 . 1 1 92 92 GLN CB C 92 29.342 29.342 29.883 -0.541 25576 5995 1 11 . 1 1 92 92 GLN H H 92 8.726 8.726 8.769 -0.043 25576 5996 1 11 . 1 1 93 93 GLU N N 93 125.131 125.131 122.942 2.189 25576 5997 1 11 . 1 1 93 93 GLU HA H 93 4.364 4.364 4.501 -0.137 25576 5998 1 11 . 1 1 93 93 GLU C C 93 176.244 176.244 176.759 -0.515 25576 5999 1 11 . 1 1 93 93 GLU CA C 93 56.111 56.111 55.410 0.701 25576 6000 1 11 . 1 1 93 93 GLU CB C 93 30.517 30.517 30.282 0.235 25576 6001 1 11 . 1 1 93 93 GLU H H 93 8.419 8.419 8.973 -0.554 25576 6002 1 11 . 1 1 94 94 GLN N N 94 122.912 122.912 120.137 2.775 25576 6003 1 11 . 1 1 94 94 GLN HA H 94 4.439 4.439 4.193 0.246 25576 6004 1 11 . 1 1 94 94 GLN C C 94 176.135 176.135 176.308 -0.173 25576 6005 1 11 . 1 1 94 94 GLN CA C 94 55.585 55.585 56.819 -1.234 25576 6006 1 11 . 1 1 94 94 GLN CB C 94 29.513 29.513 29.253 0.260 25576 6007 1 11 . 1 1 94 94 GLN H H 94 8.780 8.780 7.968 0.812 25576 6008 1 11 . 1 1 95 95 THR N N 95 116.094 116.094 111.369 4.725 25576 6009 1 11 . 1 1 95 95 THR HA H 95 4.294 4.294 4.670 -0.376 25576 6010 1 11 . 1 1 95 95 THR C C 95 175.136 175.136 173.079 2.057 25576 6011 1 11 . 1 1 95 95 THR CA C 95 61.971 61.971 61.772 0.199 25576 6012 1 11 . 1 1 95 95 THR CB C 95 69.829 69.829 70.196 -0.367 25576 6013 1 11 . 1 1 95 95 THR H H 95 8.392 8.392 8.581 -0.189 25576 6014 1 11 . 1 1 96 96 GLY N N 96 111.858 111.858 109.175 2.683 25576 6015 1 11 . 1 1 96 96 GLY C C 96 173.704 173.704 174.595 -0.891 25576 6016 1 11 . 1 1 96 96 GLY CA C 96 45.424 45.424 44.754 0.670 25576 6017 1 11 . 1 1 96 96 GLY H H 96 8.508 8.508 9.149 -0.641 25576 6018 1 12 . 1 1 2 2 SER N N 2 116.367 116.367 117.832 -1.465 25576 6019 1 12 . 1 1 2 2 SER HA H 2 4.458 4.458 4.576 -0.118 25576 6020 1 12 . 1 1 2 2 SER C C 2 174.579 174.579 174.363 0.216 25576 6021 1 12 . 1 1 2 2 SER CA C 2 58.539 58.539 59.112 -0.573 25576 6022 1 12 . 1 1 2 2 SER CB C 2 63.940 63.940 63.638 0.302 25576 6023 1 12 . 1 1 2 2 SER H H 2 8.127 8.127 8.145 -0.018 25576 6024 1 12 . 1 1 3 3 ASP N N 3 122.355 122.355 121.406 0.949 25576 6025 1 12 . 1 1 3 3 ASP HA H 3 4.566 4.566 4.764 -0.198 25576 6026 1 12 . 1 1 3 3 ASP C C 3 176.445 176.445 175.270 1.175 25576 6027 1 12 . 1 1 3 3 ASP CA C 3 54.819 54.819 53.725 1.094 25576 6028 1 12 . 1 1 3 3 ASP CB C 3 40.939 40.939 41.434 -0.495 25576 6029 1 12 . 1 1 3 3 ASP H H 3 8.360 8.360 8.079 0.281 25576 6030 1 12 . 1 1 4 4 GLN N N 4 119.955 119.955 122.251 -2.296 25576 6031 1 12 . 1 1 4 4 GLN HA H 4 4.262 4.262 4.470 -0.208 25576 6032 1 12 . 1 1 4 4 GLN C C 4 176.138 176.138 175.316 0.822 25576 6033 1 12 . 1 1 4 4 GLN CA C 4 55.933 55.933 55.010 0.923 25576 6034 1 12 . 1 1 4 4 GLN CB C 4 29.411 29.411 29.764 -0.353 25576 6035 1 12 . 1 1 4 4 GLN H H 4 8.250 8.250 8.454 -0.203 25576 6036 1 12 . 1 1 5 5 GLU N N 5 121.392 121.392 119.655 1.737 25576 6037 1 12 . 1 1 5 5 GLU HA H 5 4.203 4.203 4.346 -0.143 25576 6038 1 12 . 1 1 5 5 GLU C C 5 176.137 176.137 175.552 0.585 25576 6039 1 12 . 1 1 5 5 GLU CA C 5 56.480 56.480 55.963 0.517 25576 6040 1 12 . 1 1 5 5 GLU CB C 5 30.261 30.261 30.033 0.228 25576 6041 1 12 . 1 1 5 5 GLU H H 5 8.292 8.292 8.458 -0.166 25576 6042 1 12 . 1 1 6 6 ALA N N 6 125.339 125.339 123.732 1.607 25576 6043 1 12 . 1 1 6 6 ALA HA H 6 4.261 4.261 4.537 -0.276 25576 6044 1 12 . 1 1 6 6 ALA C C 6 177.348 177.348 175.739 1.609 25576 6045 1 12 . 1 1 6 6 ALA CA C 6 52.319 52.319 51.387 0.932 25576 6046 1 12 . 1 1 6 6 ALA CB C 6 19.120 19.120 20.694 -1.574 25576 6047 1 12 . 1 1 6 6 ALA H H 6 8.253 8.253 8.001 0.252 25576 6048 1 12 . 1 1 7 7 LYS N N 7 122.299 122.299 120.535 1.764 25576 6049 1 12 . 1 1 7 7 LYS HA H 7 4.573 4.573 4.735 -0.162 25576 6050 1 12 . 1 1 7 7 LYS CA C 7 54.062 54.062 53.830 0.232 25576 6051 1 12 . 1 1 7 7 LYS CB C 7 32.588 32.588 33.597 -1.009 25576 6052 1 12 . 1 1 7 7 LYS H H 7 8.302 8.302 8.292 0.010 25576 6053 1 12 . 1 1 8 8 PRO HA H 8 4.425 4.425 4.295 0.130 25576 6054 1 12 . 1 1 8 8 PRO C C 8 177.020 177.020 177.318 -0.298 25576 6055 1 12 . 1 1 8 8 PRO CA C 8 63.029 63.029 64.665 -1.636 25576 6056 1 12 . 1 1 8 8 PRO CB C 8 32.158 32.158 31.965 0.193 25576 6057 1 12 . 1 1 9 9 SER N N 9 116.888 116.888 109.979 6.909 25576 6058 1 12 . 1 1 9 9 SER HA H 9 4.479 4.479 4.389 0.090 25576 6059 1 12 . 1 1 9 9 SER C C 9 174.261 174.261 174.604 -0.343 25576 6060 1 12 . 1 1 9 9 SER CA C 9 58.299 58.299 59.320 -1.021 25576 6061 1 12 . 1 1 9 9 SER CB C 9 63.848 63.848 63.495 0.353 25576 6062 1 12 . 1 1 9 9 SER H H 9 8.596 8.596 8.010 0.586 25576 6063 1 12 . 1 1 10 10 THR N N 10 115.838 115.838 119.929 -4.091 25576 6064 1 12 . 1 1 10 10 THR HA H 10 4.334 4.334 4.215 0.119 25576 6065 1 12 . 1 1 10 10 THR C C 10 176.158 176.158 173.288 2.870 25576 6066 1 12 . 1 1 10 10 THR CA C 10 61.966 61.966 62.989 -1.022 25576 6067 1 12 . 1 1 10 10 THR CB C 10 69.581 69.581 69.268 0.313 25576 6068 1 12 . 1 1 10 10 THR H H 10 8.247 8.247 7.699 0.548 25576 6069 1 12 . 1 1 11 11 GLU N N 11 122.975 122.975 127.731 -4.756 25576 6070 1 12 . 1 1 11 11 GLU HA H 11 4.237 4.237 4.283 -0.046 25576 6071 1 12 . 1 1 11 11 GLU C C 11 175.920 175.920 175.448 0.472 25576 6072 1 12 . 1 1 11 11 GLU CA C 11 56.779 56.779 56.711 0.068 25576 6073 1 12 . 1 1 11 11 GLU CB C 11 29.869 29.869 29.966 -0.097 25576 6074 1 12 . 1 1 11 11 GLU H H 11 8.355 8.355 8.634 -0.279 25576 6075 1 12 . 1 1 12 12 ASP N N 12 122.117 122.117 125.229 -3.112 25576 6076 1 12 . 1 1 12 12 ASP HA H 12 4.562 4.562 4.833 -0.271 25576 6077 1 12 . 1 1 12 12 ASP C C 12 176.402 176.402 175.155 1.247 25576 6078 1 12 . 1 1 12 12 ASP CA C 12 54.224 54.224 53.197 1.027 25576 6079 1 12 . 1 1 12 12 ASP CB C 12 41.161 41.161 42.601 -1.440 25576 6080 1 12 . 1 1 12 12 ASP H H 12 8.411 8.411 8.310 0.101 25576 6081 1 12 . 1 1 13 13 LEU N N 13 123.695 123.695 120.158 3.537 25576 6082 1 12 . 1 1 13 13 LEU HA H 13 4.306 4.306 4.540 -0.234 25576 6083 1 12 . 1 1 13 13 LEU C C 13 178.231 178.231 177.866 0.365 25576 6084 1 12 . 1 1 13 13 LEU CA C 13 55.384 55.384 54.795 0.589 25576 6085 1 12 . 1 1 13 13 LEU CB C 13 42.132 42.132 43.045 -0.913 25576 6086 1 12 . 1 1 13 13 LEU H H 13 8.391 8.391 8.131 0.260 25576 6087 1 12 . 1 1 14 14 GLY N N 14 108.928 108.928 108.616 0.312 25576 6088 1 12 . 1 1 14 14 GLY C C 14 174.014 174.014 174.435 -0.421 25576 6089 1 12 . 1 1 14 14 GLY CA C 14 45.600 45.600 45.050 0.550 25576 6090 1 12 . 1 1 14 14 GLY H H 14 8.456 8.456 8.552 -0.096 25576 6091 1 12 . 1 1 15 15 ASP N N 15 120.427 120.427 119.667 0.760 25576 6092 1 12 . 1 1 15 15 ASP HA H 15 4.544 4.544 4.389 0.155 25576 6093 1 12 . 1 1 15 15 ASP C C 15 176.810 176.810 176.477 0.333 25576 6094 1 12 . 1 1 15 15 ASP CA C 15 54.389 54.389 55.576 -1.187 25576 6095 1 12 . 1 1 15 15 ASP CB C 15 41.153 41.153 41.210 -0.057 25576 6096 1 12 . 1 1 15 15 ASP H H 15 8.207 8.207 8.508 -0.301 25576 6097 1 12 . 1 1 16 16 LYS N N 16 121.257 121.257 120.210 1.047 25576 6098 1 12 . 1 1 16 16 LYS HA H 16 4.269 4.269 4.221 0.048 25576 6099 1 12 . 1 1 16 16 LYS C C 16 176.470 176.470 176.163 0.307 25576 6100 1 12 . 1 1 16 16 LYS CA C 16 56.579 56.579 56.482 0.097 25576 6101 1 12 . 1 1 16 16 LYS CB C 16 29.470 29.470 32.166 -2.696 25576 6102 1 12 . 1 1 16 16 LYS H H 16 8.302 8.302 7.921 0.381 25576 6103 1 12 . 1 1 17 17 LYS N N 17 122.205 122.205 124.006 -1.801 25576 6104 1 12 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.591 -0.324 25576 6105 1 12 . 1 1 17 17 LYS C C 17 176.837 176.837 176.177 0.660 25576 6106 1 12 . 1 1 17 17 LYS CA C 17 56.177 56.177 54.719 1.458 25576 6107 1 12 . 1 1 17 17 LYS CB C 17 32.684 32.684 35.444 -2.760 25576 6108 1 12 . 1 1 17 17 LYS H H 17 8.383 8.383 8.520 -0.137 25576 6109 1 12 . 1 1 18 18 GLU N N 18 121.859 121.859 122.741 -0.882 25576 6110 1 12 . 1 1 18 18 GLU HA H 18 4.252 4.252 4.424 -0.172 25576 6111 1 12 . 1 1 18 18 GLU C C 18 176.964 176.964 176.732 0.232 25576 6112 1 12 . 1 1 18 18 GLU CA C 18 57.094 57.094 57.257 -0.163 25576 6113 1 12 . 1 1 18 18 GLU CB C 18 30.261 30.261 30.132 0.129 25576 6114 1 12 . 1 1 18 18 GLU H H 18 8.497 8.497 8.818 -0.321 25576 6115 1 12 . 1 1 19 19 GLY N N 19 109.716 109.716 110.741 -1.025 25576 6116 1 12 . 1 1 19 19 GLY C C 19 173.520 173.520 174.170 -0.650 25576 6117 1 12 . 1 1 19 19 GLY CA C 19 45.386 45.386 44.892 0.494 25576 6118 1 12 . 1 1 19 19 GLY H H 19 8.447 8.447 8.884 -0.437 25576 6119 1 12 . 1 1 20 20 GLU N N 20 119.640 119.640 121.314 -1.674 25576 6120 1 12 . 1 1 20 20 GLU HA H 20 4.255 4.255 4.581 -0.326 25576 6121 1 12 . 1 1 20 20 GLU C C 20 175.453 175.453 174.954 0.499 25576 6122 1 12 . 1 1 20 20 GLU CA C 20 56.726 56.726 55.085 1.641 25576 6123 1 12 . 1 1 20 20 GLU CB C 20 30.806 30.806 30.786 0.020 25576 6124 1 12 . 1 1 20 20 GLU H H 20 8.227 8.227 8.477 -0.250 25576 6125 1 12 . 1 1 21 21 TYR N N 21 119.301 119.301 116.889 2.412 25576 6126 1 12 . 1 1 21 21 TYR HA H 21 5.083 5.083 4.783 0.300 25576 6127 1 12 . 1 1 21 21 TYR C C 21 175.805 175.805 174.300 1.505 25576 6128 1 12 . 1 1 21 21 TYR CA C 21 57.427 57.427 55.704 1.723 25576 6129 1 12 . 1 1 21 21 TYR CB C 21 41.620 41.620 40.182 1.438 25576 6130 1 12 . 1 1 21 21 TYR H H 21 8.367 8.367 7.130 1.237 25576 6131 1 12 . 1 1 22 22 ILE N N 22 116.642 116.642 116.229 0.413 25576 6132 1 12 . 1 1 22 22 ILE HA H 22 4.787 4.787 4.881 -0.094 25576 6133 1 12 . 1 1 22 22 ILE C C 22 173.467 173.467 174.411 -0.944 25576 6134 1 12 . 1 1 22 22 ILE CA C 22 59.685 59.685 59.431 0.254 25576 6135 1 12 . 1 1 22 22 ILE CB C 22 42.383 42.383 41.289 1.094 25576 6136 1 12 . 1 1 22 22 ILE H H 22 9.151 9.151 9.108 0.043 25576 6137 1 12 . 1 1 23 23 LYS N N 23 124.306 124.306 119.703 4.603 25576 6138 1 12 . 1 1 23 23 LYS HA H 23 5.289 5.289 5.148 0.141 25576 6139 1 12 . 1 1 23 23 LYS C C 23 175.553 175.553 175.766 -0.213 25576 6140 1 12 . 1 1 23 23 LYS CA C 23 55.629 55.629 55.433 0.196 25576 6141 1 12 . 1 1 23 23 LYS CB C 23 33.744 33.744 34.517 -0.773 25576 6142 1 12 . 1 1 23 23 LYS H H 23 8.623 8.623 8.313 0.310 25576 6143 1 12 . 1 1 24 24 LEU N N 24 124.177 124.177 122.125 2.052 25576 6144 1 12 . 1 1 24 24 LEU HA H 24 4.974 4.974 5.131 -0.157 25576 6145 1 12 . 1 1 24 24 LEU C C 24 175.910 175.910 174.425 1.485 25576 6146 1 12 . 1 1 24 24 LEU CA C 24 52.835 52.835 54.038 -1.202 25576 6147 1 12 . 1 1 24 24 LEU CB C 24 46.661 46.661 47.251 -0.590 25576 6148 1 12 . 1 1 24 24 LEU H H 24 8.940 8.940 8.856 0.084 25576 6149 1 12 . 1 1 25 25 LYS N N 25 120.635 120.635 120.407 0.228 25576 6150 1 12 . 1 1 25 25 LYS HA H 25 4.714 4.714 4.749 -0.035 25576 6151 1 12 . 1 1 25 25 LYS C C 25 174.125 174.125 173.976 0.149 25576 6152 1 12 . 1 1 25 25 LYS CA C 25 55.122 55.122 53.698 1.424 25576 6153 1 12 . 1 1 25 25 LYS CB C 25 34.919 34.919 36.513 -1.594 25576 6154 1 12 . 1 1 25 25 LYS H H 25 8.621 8.621 8.763 -0.142 25576 6155 1 12 . 1 1 26 26 VAL N N 26 124.130 124.130 124.161 -0.031 25576 6156 1 12 . 1 1 26 26 VAL HA H 26 5.043 5.043 4.623 0.420 25576 6157 1 12 . 1 1 26 26 VAL C C 26 176.195 176.195 174.143 2.052 25576 6158 1 12 . 1 1 26 26 VAL CA C 26 61.193 61.193 60.255 0.938 25576 6159 1 12 . 1 1 26 26 VAL CB C 26 32.270 32.270 35.249 -2.979 25576 6160 1 12 . 1 1 26 26 VAL H H 26 9.113 9.113 8.660 0.453 25576 6161 1 12 . 1 1 27 27 ILE N N 27 128.245 128.245 126.760 1.485 25576 6162 1 12 . 1 1 27 27 ILE HA H 27 5.012 5.012 4.534 0.478 25576 6163 1 12 . 1 1 27 27 ILE C C 27 175.976 175.976 175.224 0.752 25576 6164 1 12 . 1 1 27 27 ILE CA C 27 59.910 59.910 58.552 1.358 25576 6165 1 12 . 1 1 27 27 ILE CB C 27 39.851 39.851 37.754 2.097 25576 6166 1 12 . 1 1 27 27 ILE H H 27 9.063 9.063 8.456 0.607 25576 6167 1 12 . 1 1 28 28 GLY N N 28 113.332 113.332 112.320 1.012 25576 6168 1 12 . 1 1 28 28 GLY C C 28 175.505 175.505 175.431 0.074 25576 6169 1 12 . 1 1 28 28 GLY CA C 28 43.958 43.958 43.800 0.158 25576 6170 1 12 . 1 1 28 28 GLY H H 28 8.485 8.485 7.999 0.486 25576 6171 1 12 . 1 1 29 29 GLN N N 29 120.493 120.493 118.410 2.083 25576 6172 1 12 . 1 1 29 29 GLN HA H 29 4.113 4.113 4.036 0.077 25576 6173 1 12 . 1 1 29 29 GLN C C 29 176.003 176.003 176.726 -0.723 25576 6174 1 12 . 1 1 29 29 GLN CA C 29 57.808 57.808 57.776 0.032 25576 6175 1 12 . 1 1 29 29 GLN CB C 29 28.735 28.735 28.569 0.166 25576 6176 1 12 . 1 1 29 29 GLN H H 29 8.768 8.768 8.820 -0.052 25576 6177 1 12 . 1 1 30 30 ASP N N 30 118.342 118.342 117.265 1.077 25576 6178 1 12 . 1 1 30 30 ASP HA H 30 4.537 4.537 4.710 -0.173 25576 6179 1 12 . 1 1 30 30 ASP C C 30 176.461 176.461 175.332 1.129 25576 6180 1 12 . 1 1 30 30 ASP CA C 30 53.271 53.271 53.386 -0.115 25576 6181 1 12 . 1 1 30 30 ASP CB C 30 39.867 39.867 40.791 -0.923 25576 6182 1 12 . 1 1 30 30 ASP H H 30 8.335 8.335 8.145 0.190 25576 6183 1 12 . 1 1 31 31 SER N N 31 111.069 111.069 112.465 -1.396 25576 6184 1 12 . 1 1 31 31 SER HA H 31 4.044 4.044 4.071 -0.027 25576 6185 1 12 . 1 1 31 31 SER C C 31 173.554 173.554 173.233 0.321 25576 6186 1 12 . 1 1 31 31 SER CA C 31 60.529 60.529 58.852 1.677 25576 6187 1 12 . 1 1 31 31 SER CB C 31 62.268 62.268 62.340 -0.072 25576 6188 1 12 . 1 1 31 31 SER H H 31 7.997 7.997 7.905 0.092 25576 6189 1 12 . 1 1 32 32 SER N N 32 117.489 117.489 116.287 1.202 25576 6190 1 12 . 1 1 32 32 SER HA H 32 4.380 4.380 4.376 0.004 25576 6191 1 12 . 1 1 32 32 SER C C 32 173.550 173.550 174.387 -0.837 25576 6192 1 12 . 1 1 32 32 SER CA C 32 58.590 58.590 58.977 -0.387 25576 6193 1 12 . 1 1 32 32 SER CB C 32 64.008 64.008 63.644 0.364 25576 6194 1 12 . 1 1 32 32 SER H H 32 8.081 8.081 7.983 0.098 25576 6195 1 12 . 1 1 33 33 GLU N N 33 121.738 121.738 129.247 -7.509 25576 6196 1 12 . 1 1 33 33 GLU HA H 33 5.131 5.131 5.173 -0.042 25576 6197 1 12 . 1 1 33 33 GLU C C 33 175.317 175.317 175.848 -0.531 25576 6198 1 12 . 1 1 33 33 GLU CA C 33 55.212 55.212 55.513 -0.301 25576 6199 1 12 . 1 1 33 33 GLU CB C 33 32.596 32.596 30.677 1.919 25576 6200 1 12 . 1 1 33 33 GLU H H 33 8.616 8.616 8.577 0.039 25576 6201 1 12 . 1 1 34 34 ILE N N 34 124.389 124.389 125.352 -0.963 25576 6202 1 12 . 1 1 34 34 ILE HA H 34 4.359 4.359 4.497 -0.138 25576 6203 1 12 . 1 1 34 34 ILE C C 34 174.612 174.612 174.757 -0.145 25576 6204 1 12 . 1 1 34 34 ILE CA C 34 60.266 60.266 59.466 0.800 25576 6205 1 12 . 1 1 34 34 ILE CB C 34 40.906 40.906 39.477 1.429 25576 6206 1 12 . 1 1 34 34 ILE H H 34 8.670 8.670 8.391 0.279 25576 6207 1 12 . 1 1 35 35 HIS N N 35 125.683 125.683 125.979 -0.296 25576 6208 1 12 . 1 1 35 35 HIS HA H 35 5.597 5.597 4.782 0.815 25576 6209 1 12 . 1 1 35 35 HIS C C 35 174.902 174.902 174.563 0.339 25576 6210 1 12 . 1 1 35 35 HIS CA C 35 54.765 54.765 53.870 0.895 25576 6211 1 12 . 1 1 35 35 HIS CB C 35 32.411 32.411 31.415 0.996 25576 6212 1 12 . 1 1 35 35 HIS H H 35 8.699 8.699 8.712 -0.013 25576 6213 1 12 . 1 1 36 36 PHE N N 36 119.920 119.920 121.690 -1.770 25576 6214 1 12 . 1 1 36 36 PHE HA H 36 4.949 4.949 4.965 -0.016 25576 6215 1 12 . 1 1 36 36 PHE C C 36 174.000 174.000 173.758 0.242 25576 6216 1 12 . 1 1 36 36 PHE CA C 36 57.003 57.003 55.643 1.360 25576 6217 1 12 . 1 1 36 36 PHE CB C 36 44.431 44.431 40.945 3.486 25576 6218 1 12 . 1 1 36 36 PHE H H 36 9.103 9.103 8.002 1.101 25576 6219 1 12 . 1 1 37 37 LYS N N 37 123.747 123.747 121.796 1.951 25576 6220 1 12 . 1 1 37 37 LYS HA H 37 4.294 4.294 5.052 -0.758 25576 6221 1 12 . 1 1 37 37 LYS C C 37 176.145 176.145 175.535 0.610 25576 6222 1 12 . 1 1 37 37 LYS CA C 37 55.448 55.448 55.100 0.348 25576 6223 1 12 . 1 1 37 37 LYS CB C 37 33.467 33.467 32.888 0.579 25576 6224 1 12 . 1 1 37 37 LYS H H 37 8.787 8.787 8.417 0.370 25576 6225 1 12 . 1 1 38 38 VAL N N 38 119.736 119.736 117.983 1.753 25576 6226 1 12 . 1 1 38 38 VAL HA H 38 4.957 4.957 4.537 0.420 25576 6227 1 12 . 1 1 38 38 VAL C C 38 174.245 174.245 173.786 0.459 25576 6228 1 12 . 1 1 38 38 VAL CA C 38 58.935 58.935 59.316 -0.381 25576 6229 1 12 . 1 1 38 38 VAL CB C 38 35.429 35.429 35.695 -0.266 25576 6230 1 12 . 1 1 38 38 VAL H H 38 9.138 9.138 8.949 0.189 25576 6231 1 12 . 1 1 39 39 LYS N N 39 122.359 122.359 121.484 0.875 25576 6232 1 12 . 1 1 39 39 LYS HA H 39 3.837 3.837 4.467 -0.630 25576 6233 1 12 . 1 1 39 39 LYS C C 39 179.383 179.383 177.614 1.769 25576 6234 1 12 . 1 1 39 39 LYS CA C 39 56.814 56.814 56.215 0.599 25576 6235 1 12 . 1 1 39 39 LYS CB C 39 30.576 30.576 34.001 -3.425 25576 6236 1 12 . 1 1 39 39 LYS H H 39 8.611 8.611 8.429 0.182 25576 6237 1 12 . 1 1 40 40 MET N N 40 119.929 119.929 120.381 -0.452 25576 6238 1 12 . 1 1 40 40 MET HA H 40 4.103 4.103 4.362 -0.259 25576 6239 1 12 . 1 1 40 40 MET C C 40 176.546 176.546 177.420 -0.874 25576 6240 1 12 . 1 1 40 40 MET CA C 40 57.320 57.320 58.706 -1.386 25576 6241 1 12 . 1 1 40 40 MET CB C 40 30.903 30.903 32.817 -1.914 25576 6242 1 12 . 1 1 40 40 MET H H 40 8.562 8.562 9.161 -0.599 25576 6243 1 12 . 1 1 41 41 THR N N 41 100.263 100.263 111.708 -11.445 25576 6244 1 12 . 1 1 41 41 THR HA H 41 4.349 4.349 4.297 0.052 25576 6245 1 12 . 1 1 41 41 THR C C 41 174.506 174.506 174.253 0.253 25576 6246 1 12 . 1 1 41 41 THR CA C 41 60.147 60.147 60.389 -0.242 25576 6247 1 12 . 1 1 41 41 THR CB C 41 68.836 68.836 68.411 0.425 25576 6248 1 12 . 1 1 41 41 THR H H 41 6.974 6.974 8.047 -1.073 25576 6249 1 12 . 1 1 42 42 THR N N 42 120.616 120.616 115.260 5.356 25576 6250 1 12 . 1 1 42 42 THR HA H 42 4.187 4.187 4.342 -0.155 25576 6251 1 12 . 1 1 42 42 THR C C 42 174.052 174.052 173.279 0.773 25576 6252 1 12 . 1 1 42 42 THR CA C 42 63.153 63.153 59.791 3.362 25576 6253 1 12 . 1 1 42 42 THR CB C 42 69.645 69.645 70.294 -0.649 25576 6254 1 12 . 1 1 42 42 THR H H 42 7.192 7.192 7.268 -0.076 25576 6255 1 12 . 1 1 43 43 HIS N N 43 126.236 126.236 120.256 5.980 25576 6256 1 12 . 1 1 43 43 HIS HA H 43 4.411 4.411 4.483 -0.072 25576 6257 1 12 . 1 1 43 43 HIS C C 43 178.431 178.431 176.570 1.861 25576 6258 1 12 . 1 1 43 43 HIS CA C 43 57.366 57.366 56.079 1.287 25576 6259 1 12 . 1 1 43 43 HIS CB C 43 30.155 30.155 30.978 -0.823 25576 6260 1 12 . 1 1 43 43 HIS H H 43 8.807 8.807 8.536 0.271 25576 6261 1 12 . 1 1 44 44 LEU N N 44 124.757 124.757 124.566 0.191 25576 6262 1 12 . 1 1 44 44 LEU HA H 44 3.983 3.983 4.153 -0.170 25576 6263 1 12 . 1 1 44 44 LEU C C 44 177.051 177.051 177.962 -0.911 25576 6264 1 12 . 1 1 44 44 LEU CA C 44 58.790 58.790 55.684 3.107 25576 6265 1 12 . 1 1 44 44 LEU CB C 44 41.240 41.240 41.118 0.122 25576 6266 1 12 . 1 1 44 44 LEU H H 44 9.349 9.349 8.943 0.406 25576 6267 1 12 . 1 1 45 45 LYS N N 45 121.424 121.424 119.144 2.280 25576 6268 1 12 . 1 1 45 45 LYS HA H 45 3.584 3.584 3.869 -0.285 25576 6269 1 12 . 1 1 45 45 LYS C C 45 176.867 176.867 178.132 -1.265 25576 6270 1 12 . 1 1 45 45 LYS CA C 45 60.662 60.662 59.212 1.450 25576 6271 1 12 . 1 1 45 45 LYS CB C 45 33.389 33.389 31.183 2.206 25576 6272 1 12 . 1 1 45 45 LYS H H 45 8.543 8.543 7.758 0.785 25576 6273 1 12 . 1 1 46 46 LYS N N 46 114.033 114.033 118.211 -4.178 25576 6274 1 12 . 1 1 46 46 LYS HA H 46 4.087 4.087 4.210 -0.123 25576 6275 1 12 . 1 1 46 46 LYS C C 46 178.977 178.977 178.572 0.405 25576 6276 1 12 . 1 1 46 46 LYS CA C 46 58.615 58.615 58.481 0.134 25576 6277 1 12 . 1 1 46 46 LYS CB C 46 31.643 31.643 31.492 0.150 25576 6278 1 12 . 1 1 46 46 LYS H H 46 7.517 7.517 7.531 -0.014 25576 6279 1 12 . 1 1 47 47 LEU N N 47 121.871 121.871 121.238 0.633 25576 6280 1 12 . 1 1 47 47 LEU HA H 47 3.660 3.660 3.791 -0.131 25576 6281 1 12 . 1 1 47 47 LEU C C 47 177.575 177.575 177.978 -0.403 25576 6282 1 12 . 1 1 47 47 LEU CA C 47 58.514 58.514 57.604 0.910 25576 6283 1 12 . 1 1 47 47 LEU CB C 47 41.890 41.890 41.628 0.262 25576 6284 1 12 . 1 1 47 47 LEU H H 47 6.739 6.739 7.228 -0.489 25576 6285 1 12 . 1 1 48 48 LYS N N 48 118.246 118.246 119.163 -0.917 25576 6286 1 12 . 1 1 48 48 LYS HA H 48 3.081 3.081 4.112 -1.031 25576 6287 1 12 . 1 1 48 48 LYS C C 48 178.700 178.700 179.055 -0.355 25576 6288 1 12 . 1 1 48 48 LYS CA C 48 59.712 59.712 60.398 -0.686 25576 6289 1 12 . 1 1 48 48 LYS CB C 48 32.411 32.411 32.007 0.404 25576 6290 1 12 . 1 1 48 48 LYS H H 48 7.556 7.556 8.349 -0.793 25576 6291 1 12 . 1 1 49 49 GLU N N 49 118.092 118.092 117.593 0.499 25576 6292 1 12 . 1 1 49 49 GLU HA H 49 3.973 3.973 3.873 0.100 25576 6293 1 12 . 1 1 49 49 GLU C C 49 179.453 179.453 178.499 0.954 25576 6294 1 12 . 1 1 49 49 GLU CA C 49 59.627 59.627 59.234 0.393 25576 6295 1 12 . 1 1 49 49 GLU CB C 49 30.120 30.120 28.776 1.344 25576 6296 1 12 . 1 1 49 49 GLU H H 49 8.500 8.500 8.175 0.325 25576 6297 1 12 . 1 1 50 50 SER N N 50 115.646 115.646 116.728 -1.082 25576 6298 1 12 . 1 1 50 50 SER HA H 50 4.260 4.260 4.170 0.090 25576 6299 1 12 . 1 1 50 50 SER C C 50 177.171 177.171 176.677 0.494 25576 6300 1 12 . 1 1 50 50 SER CA C 50 61.947 61.947 61.072 0.875 25576 6301 1 12 . 1 1 50 50 SER CB C 50 63.258 63.258 62.998 0.260 25576 6302 1 12 . 1 1 50 50 SER H H 50 7.966 7.966 7.642 0.324 25576 6303 1 12 . 1 1 51 51 TYR N N 51 122.610 122.610 120.369 2.241 25576 6304 1 12 . 1 1 51 51 TYR HA H 51 4.026 4.026 4.519 -0.493 25576 6305 1 12 . 1 1 51 51 TYR C C 51 177.374 177.374 177.502 -0.128 25576 6306 1 12 . 1 1 51 51 TYR CA C 51 63.608 63.608 60.372 3.236 25576 6307 1 12 . 1 1 51 51 TYR CB C 51 38.618 38.618 37.604 1.014 25576 6308 1 12 . 1 1 51 51 TYR H H 51 8.833 8.833 8.132 0.701 25576 6309 1 12 . 1 1 52 52 CYS N N 52 117.395 117.395 119.647 -2.252 25576 6310 1 12 . 1 1 52 52 CYS HA H 52 3.915 3.915 3.694 0.221 25576 6311 1 12 . 1 1 52 52 CYS C C 52 177.182 177.182 176.551 0.631 25576 6312 1 12 . 1 1 52 52 CYS CA C 52 65.108 65.108 64.471 0.637 25576 6313 1 12 . 1 1 52 52 CYS CB C 52 26.151 26.151 27.221 -1.069 25576 6314 1 12 . 1 1 52 52 CYS H H 52 8.676 8.676 7.424 1.252 25576 6315 1 12 . 1 1 53 53 GLN N N 53 119.196 119.196 118.777 0.419 25576 6316 1 12 . 1 1 53 53 GLN HA H 53 4.109 4.109 3.995 0.114 25576 6317 1 12 . 1 1 53 53 GLN C C 53 179.105 179.105 178.190 0.915 25576 6318 1 12 . 1 1 53 53 GLN CA C 53 58.973 58.973 58.280 0.693 25576 6319 1 12 . 1 1 53 53 GLN CB C 53 28.211 28.211 27.986 0.225 25576 6320 1 12 . 1 1 53 53 GLN H H 53 8.322 8.322 8.152 0.170 25576 6321 1 12 . 1 1 54 54 ARG N N 54 120.139 120.139 119.384 0.755 25576 6322 1 12 . 1 1 54 54 ARG HA H 54 4.018 4.018 4.084 -0.066 25576 6323 1 12 . 1 1 54 54 ARG C C 54 178.300 178.300 178.503 -0.203 25576 6324 1 12 . 1 1 54 54 ARG CA C 54 58.552 58.552 58.248 0.304 25576 6325 1 12 . 1 1 54 54 ARG CB C 54 29.669 29.669 29.863 -0.194 25576 6326 1 12 . 1 1 54 54 ARG H H 54 8.011 8.011 7.752 0.259 25576 6327 1 12 . 1 1 55 55 GLN N N 55 114.160 114.160 115.450 -1.290 25576 6328 1 12 . 1 1 55 55 GLN HA H 55 4.251 4.251 4.342 -0.091 25576 6329 1 12 . 1 1 55 55 GLN C C 55 176.410 176.410 176.981 -0.571 25576 6330 1 12 . 1 1 55 55 GLN CA C 55 55.119 55.119 57.250 -2.131 25576 6331 1 12 . 1 1 55 55 GLN CB C 55 29.424 29.424 29.746 -0.322 25576 6332 1 12 . 1 1 55 55 GLN H H 55 7.806 7.806 7.814 -0.008 25576 6333 1 12 . 1 1 56 56 GLY N N 56 109.749 109.749 107.261 2.488 25576 6334 1 12 . 1 1 56 56 GLY C C 56 174.908 174.908 174.045 0.863 25576 6335 1 12 . 1 1 56 56 GLY CA C 56 46.658 46.658 45.254 1.404 25576 6336 1 12 . 1 1 56 56 GLY H H 56 7.932 7.932 7.767 0.165 25576 6337 1 12 . 1 1 57 57 VAL N N 57 111.990 111.990 116.355 -4.365 25576 6338 1 12 . 1 1 57 57 VAL HA H 57 4.941 4.941 4.675 0.266 25576 6339 1 12 . 1 1 57 57 VAL CA C 57 57.534 57.534 57.803 -0.269 25576 6340 1 12 . 1 1 57 57 VAL CB C 57 32.697 32.697 33.337 -0.640 25576 6341 1 12 . 1 1 57 57 VAL H H 57 7.651 7.651 7.595 0.056 25576 6342 1 12 . 1 1 58 58 PRO HA H 58 4.528 4.528 4.605 -0.077 25576 6343 1 12 . 1 1 58 58 PRO C C 58 179.169 179.169 177.487 1.682 25576 6344 1 12 . 1 1 58 58 PRO CA C 58 62.211 62.211 62.000 0.211 25576 6345 1 12 . 1 1 58 58 PRO CB C 58 32.543 32.543 32.692 -0.149 25576 6346 1 12 . 1 1 59 59 MET N N 59 124.522 124.522 118.727 5.795 25576 6347 1 12 . 1 1 59 59 MET HA H 59 4.703 4.703 4.170 0.533 25576 6348 1 12 . 1 1 59 59 MET C C 59 177.459 177.459 175.875 1.584 25576 6349 1 12 . 1 1 59 59 MET CA C 59 58.247 58.247 57.901 0.346 25576 6350 1 12 . 1 1 59 59 MET CB C 59 32.795 32.795 32.400 0.395 25576 6351 1 12 . 1 1 59 59 MET H H 59 9.002 9.002 8.538 0.464 25576 6352 1 12 . 1 1 60 60 ASN N N 60 113.185 113.185 112.514 0.671 25576 6353 1 12 . 1 1 60 60 ASN HA H 60 4.673 4.673 4.610 0.063 25576 6354 1 12 . 1 1 60 60 ASN C C 60 175.674 175.674 175.934 -0.260 25576 6355 1 12 . 1 1 60 60 ASN CA C 60 53.935 53.935 54.073 -0.138 25576 6356 1 12 . 1 1 60 60 ASN CB C 60 37.217 37.217 38.338 -1.121 25576 6357 1 12 . 1 1 60 60 ASN H H 60 8.424 8.424 8.085 0.339 25576 6358 1 12 . 1 1 61 61 SER N N 61 113.092 113.092 114.878 -1.786 25576 6359 1 12 . 1 1 61 61 SER HA H 61 4.500 4.500 4.524 -0.024 25576 6360 1 12 . 1 1 61 61 SER C C 61 173.455 173.455 173.508 -0.053 25576 6361 1 12 . 1 1 61 61 SER CA C 61 59.609 59.609 60.544 -0.935 25576 6362 1 12 . 1 1 61 61 SER CB C 61 64.812 64.812 64.585 0.227 25576 6363 1 12 . 1 1 61 61 SER H H 61 7.931 7.931 7.825 0.106 25576 6364 1 12 . 1 1 62 62 LEU N N 62 120.961 120.961 117.672 3.289 25576 6365 1 12 . 1 1 62 62 LEU HA H 62 5.109 5.109 4.905 0.204 25576 6366 1 12 . 1 1 62 62 LEU C C 62 175.588 175.588 175.630 -0.042 25576 6367 1 12 . 1 1 62 62 LEU CA C 62 53.575 53.575 52.959 0.616 25576 6368 1 12 . 1 1 62 62 LEU CB C 62 46.262 46.262 44.185 2.077 25576 6369 1 12 . 1 1 62 62 LEU H H 62 7.265 7.265 7.173 0.092 25576 6370 1 12 . 1 1 63 63 ARG N N 63 120.142 120.142 119.909 0.233 25576 6371 1 12 . 1 1 63 63 ARG HA H 63 4.668 4.668 4.417 0.251 25576 6372 1 12 . 1 1 63 63 ARG C C 63 172.784 172.784 175.014 -2.230 25576 6373 1 12 . 1 1 63 63 ARG CA C 63 54.488 54.488 54.708 -0.220 25576 6374 1 12 . 1 1 63 63 ARG CB C 63 33.111 33.111 32.031 1.080 25576 6375 1 12 . 1 1 63 63 ARG H H 63 8.993 8.993 8.844 0.149 25576 6376 1 12 . 1 1 64 64 PHE N N 64 122.537 122.537 123.388 -0.851 25576 6377 1 12 . 1 1 64 64 PHE HA H 64 4.959 4.959 5.521 -0.562 25576 6378 1 12 . 1 1 64 64 PHE C C 64 174.150 174.150 174.440 -0.290 25576 6379 1 12 . 1 1 64 64 PHE CA C 64 56.347 56.347 54.686 1.661 25576 6380 1 12 . 1 1 64 64 PHE CB C 64 40.762 40.762 39.269 1.493 25576 6381 1 12 . 1 1 64 64 PHE H H 64 8.923 8.923 8.146 0.777 25576 6382 1 12 . 1 1 65 65 LEU N N 65 124.212 124.212 119.774 4.438 25576 6383 1 12 . 1 1 65 65 LEU HA H 65 5.290 5.290 5.715 -0.425 25576 6384 1 12 . 1 1 65 65 LEU C C 65 175.903 175.903 174.358 1.545 25576 6385 1 12 . 1 1 65 65 LEU CA C 65 53.729 53.729 53.629 0.100 25576 6386 1 12 . 1 1 65 65 LEU CB C 65 46.385 46.385 46.174 0.211 25576 6387 1 12 . 1 1 65 65 LEU H H 65 9.738 9.738 9.322 0.416 25576 6388 1 12 . 1 1 66 66 PHE N N 66 119.384 119.384 121.089 -1.705 25576 6389 1 12 . 1 1 66 66 PHE HA H 66 5.202 5.202 4.982 0.220 25576 6390 1 12 . 1 1 66 66 PHE C C 66 175.017 175.017 174.713 0.304 25576 6391 1 12 . 1 1 66 66 PHE CA C 66 56.291 56.291 57.428 -1.137 25576 6392 1 12 . 1 1 66 66 PHE CB C 66 41.700 41.700 42.629 -0.929 25576 6393 1 12 . 1 1 66 66 PHE H H 66 8.968 8.968 9.078 -0.110 25576 6394 1 12 . 1 1 67 67 GLU N N 67 129.196 129.196 125.712 3.484 25576 6395 1 12 . 1 1 67 67 GLU HA H 67 3.540 3.540 3.600 -0.060 25576 6396 1 12 . 1 1 67 67 GLU C C 67 176.778 176.778 175.954 0.824 25576 6397 1 12 . 1 1 67 67 GLU CA C 67 56.769 56.769 56.752 0.017 25576 6398 1 12 . 1 1 67 67 GLU CB C 67 26.897 26.897 27.231 -0.334 25576 6399 1 12 . 1 1 67 67 GLU H H 67 9.381 9.381 8.699 0.682 25576 6400 1 12 . 1 1 68 68 GLY N N 68 103.263 103.263 104.717 -1.454 25576 6401 1 12 . 1 1 68 68 GLY C C 68 173.651 173.651 173.583 0.068 25576 6402 1 12 . 1 1 68 68 GLY CA C 68 45.476 45.476 44.825 0.651 25576 6403 1 12 . 1 1 68 68 GLY H H 68 8.858 8.858 8.502 0.356 25576 6404 1 12 . 1 1 69 69 GLN N N 69 120.732 120.732 118.744 1.988 25576 6405 1 12 . 1 1 69 69 GLN HA H 69 4.589 4.589 4.704 -0.115 25576 6406 1 12 . 1 1 69 69 GLN C C 69 175.204 175.204 174.569 0.635 25576 6407 1 12 . 1 1 69 69 GLN CA C 69 53.776 53.776 54.026 -0.251 25576 6408 1 12 . 1 1 69 69 GLN CB C 69 30.660 30.660 31.944 -1.284 25576 6409 1 12 . 1 1 69 69 GLN H H 69 7.996 7.996 8.070 -0.074 25576 6410 1 12 . 1 1 70 70 ARG N N 70 125.102 125.102 123.497 1.605 25576 6411 1 12 . 1 1 70 70 ARG HA H 70 4.395 4.395 4.669 -0.274 25576 6412 1 12 . 1 1 70 70 ARG C C 70 177.004 177.004 175.980 1.024 25576 6413 1 12 . 1 1 70 70 ARG CA C 70 57.305 57.305 56.370 0.936 25576 6414 1 12 . 1 1 70 70 ARG CB C 70 30.511 30.511 31.114 -0.603 25576 6415 1 12 . 1 1 70 70 ARG H H 70 8.823 8.823 8.779 0.044 25576 6416 1 12 . 1 1 71 71 ILE N N 71 126.949 126.949 122.544 4.405 25576 6417 1 12 . 1 1 71 71 ILE HA H 71 4.477 4.477 4.551 -0.074 25576 6418 1 12 . 1 1 71 71 ILE C C 71 176.145 176.145 175.488 0.657 25576 6419 1 12 . 1 1 71 71 ILE CA C 71 61.337 61.337 58.811 2.526 25576 6420 1 12 . 1 1 71 71 ILE CB C 71 39.067 39.067 36.547 2.520 25576 6421 1 12 . 1 1 71 71 ILE H H 71 9.020 9.020 8.696 0.324 25576 6422 1 12 . 1 1 72 72 ALA N N 72 139.307 139.307 131.044 8.263 25576 6423 1 12 . 1 1 72 72 ALA HA H 72 4.334 4.334 4.413 -0.079 25576 6424 1 12 . 1 1 72 72 ALA C C 72 177.973 177.973 178.098 -0.125 25576 6425 1 12 . 1 1 72 72 ALA CA C 72 50.785 50.785 50.127 0.658 25576 6426 1 12 . 1 1 72 72 ALA CB C 72 18.407 18.407 20.693 -2.286 25576 6427 1 12 . 1 1 72 72 ALA H H 72 10.910 10.910 8.111 2.799 25576 6428 1 12 . 1 1 73 73 ASP N N 73 120.493 120.493 119.603 0.890 25576 6429 1 12 . 1 1 73 73 ASP HA H 73 3.823 3.823 4.222 -0.399 25576 6430 1 12 . 1 1 73 73 ASP C C 73 176.104 176.104 176.570 -0.466 25576 6431 1 12 . 1 1 73 73 ASP CA C 73 57.113 57.113 56.968 0.145 25576 6432 1 12 . 1 1 73 73 ASP CB C 73 40.032 40.032 40.711 -0.679 25576 6433 1 12 . 1 1 73 73 ASP H H 73 8.770 8.770 8.626 0.144 25576 6434 1 12 . 1 1 74 74 ASN N N 74 109.526 109.526 114.303 -4.777 25576 6435 1 12 . 1 1 74 74 ASN HA H 74 4.245 4.245 4.164 0.081 25576 6436 1 12 . 1 1 74 74 ASN C C 74 176.050 176.050 174.796 1.254 25576 6437 1 12 . 1 1 74 74 ASN CA C 74 52.073 52.073 52.606 -0.533 25576 6438 1 12 . 1 1 74 74 ASN CB C 74 37.343 37.343 38.729 -1.386 25576 6439 1 12 . 1 1 74 74 ASN H H 74 7.738 7.738 8.110 -0.372 25576 6440 1 12 . 1 1 75 75 HIS N N 75 119.821 119.821 120.476 -0.655 25576 6441 1 12 . 1 1 75 75 HIS HA H 75 4.908 4.908 4.635 0.273 25576 6442 1 12 . 1 1 75 75 HIS C C 75 175.680 175.680 174.146 1.534 25576 6443 1 12 . 1 1 75 75 HIS CA C 75 56.606 56.606 55.847 0.759 25576 6444 1 12 . 1 1 75 75 HIS CB C 75 33.549 33.549 31.320 2.229 25576 6445 1 12 . 1 1 75 75 HIS H H 75 7.149 7.149 7.681 -0.532 25576 6446 1 12 . 1 1 76 76 THR N N 76 108.304 108.304 113.653 -5.349 25576 6447 1 12 . 1 1 76 76 THR HA H 76 5.197 5.197 5.160 0.037 25576 6448 1 12 . 1 1 76 76 THR CA C 76 57.594 57.594 57.686 -0.092 25576 6449 1 12 . 1 1 76 76 THR CB C 76 70.033 70.033 71.226 -1.193 25576 6450 1 12 . 1 1 76 76 THR H H 76 7.303 7.303 8.321 -1.018 25576 6451 1 12 . 1 1 77 77 PRO HA H 77 4.241 4.241 4.162 0.079 25576 6452 1 12 . 1 1 77 77 PRO C C 77 178.445 178.445 177.932 0.513 25576 6453 1 12 . 1 1 77 77 PRO CA C 77 65.724 65.724 65.245 0.479 25576 6454 1 12 . 1 1 77 77 PRO CB C 77 32.479 32.479 31.904 0.575 25576 6455 1 12 . 1 1 78 78 LYS N N 78 115.329 115.329 115.779 -0.450 25576 6456 1 12 . 1 1 78 78 LYS HA H 78 3.956 3.956 4.108 -0.152 25576 6457 1 12 . 1 1 78 78 LYS C C 78 179.328 179.328 178.889 0.439 25576 6458 1 12 . 1 1 78 78 LYS CA C 78 59.012 59.012 58.991 0.021 25576 6459 1 12 . 1 1 78 78 LYS CB C 78 32.845 32.845 31.616 1.229 25576 6460 1 12 . 1 1 78 78 LYS H H 78 8.073 8.073 7.582 0.491 25576 6461 1 12 . 1 1 79 79 GLU N N 79 120.840 120.840 119.542 1.298 25576 6462 1 12 . 1 1 79 79 GLU HA H 79 3.957 3.957 4.153 -0.196 25576 6463 1 12 . 1 1 79 79 GLU C C 79 178.566 178.566 178.380 0.186 25576 6464 1 12 . 1 1 79 79 GLU CA C 79 58.790 58.790 58.285 0.505 25576 6465 1 12 . 1 1 79 79 GLU CB C 79 30.290 30.290 29.394 0.896 25576 6466 1 12 . 1 1 79 79 GLU H H 79 7.978 7.978 7.521 0.457 25576 6467 1 12 . 1 1 80 80 LEU N N 80 115.072 115.072 117.835 -2.763 25576 6468 1 12 . 1 1 80 80 LEU HA H 80 4.222 4.222 4.357 -0.135 25576 6469 1 12 . 1 1 80 80 LEU C C 80 176.602 176.602 177.421 -0.819 25576 6470 1 12 . 1 1 80 80 LEU CA C 80 54.613 54.613 55.063 -0.450 25576 6471 1 12 . 1 1 80 80 LEU CB C 80 42.453 42.453 42.021 0.432 25576 6472 1 12 . 1 1 80 80 LEU H H 80 7.486 7.486 7.980 -0.494 25576 6473 1 12 . 1 1 81 81 GLY N N 81 108.019 108.019 106.941 1.078 25576 6474 1 12 . 1 1 81 81 GLY C C 81 175.390 175.390 174.114 1.276 25576 6475 1 12 . 1 1 81 81 GLY CA C 81 46.622 46.622 45.210 1.412 25576 6476 1 12 . 1 1 81 81 GLY H H 81 7.644 7.644 7.337 0.307 25576 6477 1 12 . 1 1 82 82 MET N N 82 117.606 117.606 118.257 -0.651 25576 6478 1 12 . 1 1 82 82 MET HA H 82 4.185 4.185 4.992 -0.807 25576 6479 1 12 . 1 1 82 82 MET C C 82 174.482 174.482 175.211 -0.729 25576 6480 1 12 . 1 1 82 82 MET CA C 82 57.019 57.019 54.789 2.229 25576 6481 1 12 . 1 1 82 82 MET CB C 82 34.089 34.089 35.862 -1.773 25576 6482 1 12 . 1 1 82 82 MET H H 82 7.628 7.628 8.138 -0.510 25576 6483 1 12 . 1 1 83 83 GLU N N 83 120.980 120.980 118.208 2.772 25576 6484 1 12 . 1 1 83 83 GLU HA H 83 4.457 4.457 4.773 -0.316 25576 6485 1 12 . 1 1 83 83 GLU C C 83 174.297 174.297 175.471 -1.174 25576 6486 1 12 . 1 1 83 83 GLU CA C 83 53.875 53.875 54.175 -0.300 25576 6487 1 12 . 1 1 83 83 GLU CB C 83 33.937 33.937 31.998 1.939 25576 6488 1 12 . 1 1 83 83 GLU H H 83 9.314 9.314 8.498 0.816 25576 6489 1 12 . 1 1 84 84 GLU N N 84 119.063 119.063 119.730 -0.667 25576 6490 1 12 . 1 1 84 84 GLU HA H 84 4.199 4.199 4.169 0.030 25576 6491 1 12 . 1 1 84 84 GLU C C 84 177.527 177.527 176.516 1.011 25576 6492 1 12 . 1 1 84 84 GLU CA C 84 58.549 58.549 57.375 1.174 25576 6493 1 12 . 1 1 84 84 GLU CB C 84 29.993 29.993 29.875 0.118 25576 6494 1 12 . 1 1 84 84 GLU H H 84 8.341 8.341 8.606 -0.265 25576 6495 1 12 . 1 1 85 85 GLU N N 85 118.840 118.840 117.343 1.497 25576 6496 1 12 . 1 1 85 85 GLU HA H 85 3.645 3.645 3.867 -0.222 25576 6497 1 12 . 1 1 85 85 GLU C C 85 175.047 175.047 175.550 -0.503 25576 6498 1 12 . 1 1 85 85 GLU CA C 85 58.846 58.846 58.124 0.722 25576 6499 1 12 . 1 1 85 85 GLU CB C 85 26.691 26.691 28.305 -1.613 25576 6500 1 12 . 1 1 85 85 GLU H H 85 9.357 9.357 8.980 0.377 25576 6501 1 12 . 1 1 86 86 ASP N N 86 120.217 120.217 120.772 -0.555 25576 6502 1 12 . 1 1 86 86 ASP HA H 86 4.880 4.880 4.516 0.364 25576 6503 1 12 . 1 1 86 86 ASP C C 86 174.417 174.417 174.729 -0.312 25576 6504 1 12 . 1 1 86 86 ASP CA C 86 55.822 55.822 55.760 0.062 25576 6505 1 12 . 1 1 86 86 ASP CB C 86 41.926 41.926 42.364 -0.438 25576 6506 1 12 . 1 1 86 86 ASP H H 86 8.155 8.155 7.645 0.510 25576 6507 1 12 . 1 1 87 87 VAL N N 87 116.641 116.641 120.945 -4.304 25576 6508 1 12 . 1 1 87 87 VAL HA H 87 4.924 4.924 5.085 -0.161 25576 6509 1 12 . 1 1 87 87 VAL C C 87 176.064 176.064 174.433 1.631 25576 6510 1 12 . 1 1 87 87 VAL CA C 87 61.311 61.311 59.944 1.367 25576 6511 1 12 . 1 1 87 87 VAL CB C 87 35.067 35.067 34.653 0.414 25576 6512 1 12 . 1 1 87 87 VAL H H 87 8.191 8.191 8.194 -0.003 25576 6513 1 12 . 1 1 88 88 ILE N N 88 127.353 127.353 126.642 0.711 25576 6514 1 12 . 1 1 88 88 ILE HA H 88 4.845 4.845 4.603 0.242 25576 6515 1 12 . 1 1 88 88 ILE C C 88 174.967 174.967 173.923 1.044 25576 6516 1 12 . 1 1 88 88 ILE CA C 88 59.381 59.381 59.841 -0.460 25576 6517 1 12 . 1 1 88 88 ILE CB C 88 40.984 40.984 40.923 0.061 25576 6518 1 12 . 1 1 88 88 ILE H H 88 9.165 9.165 8.823 0.342 25576 6519 1 12 . 1 1 89 89 GLU N N 89 125.851 125.851 123.957 1.894 25576 6520 1 12 . 1 1 89 89 GLU HA H 89 4.820 4.820 4.650 0.170 25576 6521 1 12 . 1 1 89 89 GLU C C 89 175.262 175.262 174.930 0.332 25576 6522 1 12 . 1 1 89 89 GLU CA C 89 55.158 55.158 55.596 -0.438 25576 6523 1 12 . 1 1 89 89 GLU CB C 89 33.359 33.359 32.028 1.331 25576 6524 1 12 . 1 1 89 89 GLU H H 89 8.858 8.858 8.763 0.095 25576 6525 1 12 . 1 1 90 90 VAL N N 90 119.735 119.735 126.149 -6.414 25576 6526 1 12 . 1 1 90 90 VAL HA H 90 4.817 4.817 5.381 -0.564 25576 6527 1 12 . 1 1 90 90 VAL C C 90 174.870 174.870 174.637 0.233 25576 6528 1 12 . 1 1 90 90 VAL CA C 90 59.412 59.412 60.748 -1.336 25576 6529 1 12 . 1 1 90 90 VAL CB C 90 34.031 34.031 34.151 -0.121 25576 6530 1 12 . 1 1 90 90 VAL H H 90 7.770 7.770 8.113 -0.343 25576 6531 1 12 . 1 1 91 91 TYR N N 91 124.243 124.243 125.828 -1.585 25576 6532 1 12 . 1 1 91 91 TYR HA H 91 4.621 4.621 4.805 -0.184 25576 6533 1 12 . 1 1 91 91 TYR C C 91 174.588 174.588 174.679 -0.091 25576 6534 1 12 . 1 1 91 91 TYR CA C 91 56.018 56.018 56.191 -0.173 25576 6535 1 12 . 1 1 91 91 TYR CB C 91 42.641 42.641 42.142 0.499 25576 6536 1 12 . 1 1 91 91 TYR H H 91 8.540 8.540 9.181 -0.641 25576 6537 1 12 . 1 1 92 92 GLN N N 92 120.784 120.784 119.328 1.456 25576 6538 1 12 . 1 1 92 92 GLN HA H 92 4.529 4.529 4.669 -0.140 25576 6539 1 12 . 1 1 92 92 GLN C C 92 176.679 176.679 175.841 0.838 25576 6540 1 12 . 1 1 92 92 GLN CA C 92 56.135 56.135 55.389 0.746 25576 6541 1 12 . 1 1 92 92 GLN CB C 92 29.342 29.342 30.709 -1.367 25576 6542 1 12 . 1 1 92 92 GLN H H 92 8.726 8.726 8.838 -0.112 25576 6543 1 12 . 1 1 93 93 GLU N N 93 125.131 125.131 123.132 1.999 25576 6544 1 12 . 1 1 93 93 GLU HA H 93 4.364 4.364 4.602 -0.238 25576 6545 1 12 . 1 1 93 93 GLU C C 93 176.244 176.244 176.469 -0.225 25576 6546 1 12 . 1 1 93 93 GLU CA C 93 56.111 56.111 55.727 0.384 25576 6547 1 12 . 1 1 93 93 GLU CB C 93 30.517 30.517 30.560 -0.043 25576 6548 1 12 . 1 1 93 93 GLU H H 93 8.419 8.419 9.082 -0.663 25576 6549 1 12 . 1 1 94 94 GLN N N 94 122.912 122.912 120.026 2.886 25576 6550 1 12 . 1 1 94 94 GLN HA H 94 4.439 4.439 4.228 0.211 25576 6551 1 12 . 1 1 94 94 GLN C C 94 176.135 176.135 176.449 -0.314 25576 6552 1 12 . 1 1 94 94 GLN CA C 94 55.585 55.585 56.724 -1.139 25576 6553 1 12 . 1 1 94 94 GLN CB C 94 29.513 29.513 29.284 0.229 25576 6554 1 12 . 1 1 94 94 GLN H H 94 8.780 8.780 8.126 0.654 25576 6555 1 12 . 1 1 95 95 THR N N 95 116.094 116.094 110.479 5.615 25576 6556 1 12 . 1 1 95 95 THR HA H 95 4.294 4.294 4.430 -0.136 25576 6557 1 12 . 1 1 95 95 THR C C 95 175.136 175.136 173.065 2.071 25576 6558 1 12 . 1 1 95 95 THR CA C 95 61.971 61.971 61.812 0.159 25576 6559 1 12 . 1 1 95 95 THR CB C 95 69.829 69.829 70.107 -0.278 25576 6560 1 12 . 1 1 95 95 THR H H 95 8.392 8.392 8.622 -0.230 25576 6561 1 12 . 1 1 96 96 GLY N N 96 111.858 111.858 109.400 2.458 25576 6562 1 12 . 1 1 96 96 GLY C C 96 173.704 173.704 173.434 0.270 25576 6563 1 12 . 1 1 96 96 GLY CA C 96 45.424 45.424 45.160 0.264 25576 6564 1 12 . 1 1 96 96 GLY H H 96 8.508 8.508 8.754 -0.246 25576 6565 1 13 . 1 1 2 2 SER N N 2 116.367 116.367 118.044 -1.677 25576 6566 1 13 . 1 1 2 2 SER HA H 2 4.458 4.458 4.631 -0.173 25576 6567 1 13 . 1 1 2 2 SER C C 2 174.579 174.579 173.945 0.634 25576 6568 1 13 . 1 1 2 2 SER CA C 2 58.539 58.539 58.434 0.105 25576 6569 1 13 . 1 1 2 2 SER CB C 2 63.940 63.940 63.816 0.124 25576 6570 1 13 . 1 1 2 2 SER H H 2 8.127 8.127 8.431 -0.304 25576 6571 1 13 . 1 1 3 3 ASP N N 3 122.355 122.355 119.872 2.483 25576 6572 1 13 . 1 1 3 3 ASP HA H 3 4.566 4.566 4.317 0.249 25576 6573 1 13 . 1 1 3 3 ASP C C 3 176.445 176.445 176.518 -0.073 25576 6574 1 13 . 1 1 3 3 ASP CA C 3 54.819 54.819 54.758 0.061 25576 6575 1 13 . 1 1 3 3 ASP CB C 3 40.939 40.939 40.132 0.807 25576 6576 1 13 . 1 1 3 3 ASP H H 3 8.360 8.360 8.643 -0.283 25576 6577 1 13 . 1 1 4 4 GLN N N 4 119.955 119.955 118.508 1.447 25576 6578 1 13 . 1 1 4 4 GLN HA H 4 4.262 4.262 4.045 0.217 25576 6579 1 13 . 1 1 4 4 GLN C C 4 176.138 176.138 175.870 0.268 25576 6580 1 13 . 1 1 4 4 GLN CA C 4 55.933 55.933 58.021 -2.088 25576 6581 1 13 . 1 1 4 4 GLN CB C 4 29.411 29.411 29.279 0.132 25576 6582 1 13 . 1 1 4 4 GLN H H 4 8.250 8.250 8.601 -0.351 25576 6583 1 13 . 1 1 5 5 GLU N N 5 121.392 121.392 116.105 5.287 25576 6584 1 13 . 1 1 5 5 GLU HA H 5 4.203 4.203 4.423 -0.220 25576 6585 1 13 . 1 1 5 5 GLU C C 5 176.137 176.137 174.500 1.637 25576 6586 1 13 . 1 1 5 5 GLU CA C 5 56.480 56.480 55.931 0.549 25576 6587 1 13 . 1 1 5 5 GLU CB C 5 30.261 30.261 31.313 -1.052 25576 6588 1 13 . 1 1 5 5 GLU H H 5 8.292 8.292 7.957 0.335 25576 6589 1 13 . 1 1 6 6 ALA N N 6 125.339 125.339 124.228 1.111 25576 6590 1 13 . 1 1 6 6 ALA HA H 6 4.261 4.261 4.632 -0.371 25576 6591 1 13 . 1 1 6 6 ALA C C 6 177.348 177.348 176.425 0.923 25576 6592 1 13 . 1 1 6 6 ALA CA C 6 52.319 52.319 51.700 0.619 25576 6593 1 13 . 1 1 6 6 ALA CB C 6 19.120 19.120 20.363 -1.243 25576 6594 1 13 . 1 1 6 6 ALA H H 6 8.253 8.253 8.251 0.002 25576 6595 1 13 . 1 1 7 7 LYS N N 7 122.299 122.299 122.826 -0.527 25576 6596 1 13 . 1 1 7 7 LYS HA H 7 4.573 4.573 4.745 -0.172 25576 6597 1 13 . 1 1 7 7 LYS CA C 7 54.062 54.062 53.530 0.532 25576 6598 1 13 . 1 1 7 7 LYS CB C 7 32.588 32.588 34.169 -1.581 25576 6599 1 13 . 1 1 7 7 LYS H H 7 8.302 8.302 8.373 -0.071 25576 6600 1 13 . 1 1 8 8 PRO HA H 8 4.425 4.425 4.420 0.005 25576 6601 1 13 . 1 1 8 8 PRO C C 8 177.020 177.020 176.347 0.673 25576 6602 1 13 . 1 1 8 8 PRO CA C 8 63.029 63.029 63.072 -0.043 25576 6603 1 13 . 1 1 8 8 PRO CB C 8 32.158 32.158 31.538 0.621 25576 6604 1 13 . 1 1 9 9 SER N N 9 116.888 116.888 120.318 -3.430 25576 6605 1 13 . 1 1 9 9 SER HA H 9 4.479 4.479 4.565 -0.086 25576 6606 1 13 . 1 1 9 9 SER C C 9 174.261 174.261 174.348 -0.087 25576 6607 1 13 . 1 1 9 9 SER CA C 9 58.299 58.299 58.655 -0.356 25576 6608 1 13 . 1 1 9 9 SER CB C 9 63.848 63.848 63.978 -0.130 25576 6609 1 13 . 1 1 9 9 SER H H 9 8.596 8.596 8.421 0.175 25576 6610 1 13 . 1 1 10 10 THR N N 10 115.838 115.838 119.829 -3.991 25576 6611 1 13 . 1 1 10 10 THR HA H 10 4.334 4.334 4.441 -0.107 25576 6612 1 13 . 1 1 10 10 THR C C 10 176.158 176.158 173.656 2.502 25576 6613 1 13 . 1 1 10 10 THR CA C 10 61.966 61.966 61.738 0.228 25576 6614 1 13 . 1 1 10 10 THR CB C 10 69.581 69.581 69.910 -0.329 25576 6615 1 13 . 1 1 10 10 THR H H 10 8.247 8.247 8.291 -0.044 25576 6616 1 13 . 1 1 11 11 GLU N N 11 122.975 122.975 126.572 -3.597 25576 6617 1 13 . 1 1 11 11 GLU HA H 11 4.237 4.237 4.262 -0.025 25576 6618 1 13 . 1 1 11 11 GLU C C 11 175.920 175.920 176.392 -0.472 25576 6619 1 13 . 1 1 11 11 GLU CA C 11 56.779 56.779 56.343 0.436 25576 6620 1 13 . 1 1 11 11 GLU CB C 11 29.869 29.869 30.551 -0.682 25576 6621 1 13 . 1 1 11 11 GLU H H 11 8.355 8.355 8.655 -0.300 25576 6622 1 13 . 1 1 12 12 ASP N N 12 122.117 122.117 125.831 -3.714 25576 6623 1 13 . 1 1 12 12 ASP HA H 12 4.562 4.562 4.386 0.176 25576 6624 1 13 . 1 1 12 12 ASP C C 12 176.402 176.402 178.427 -2.025 25576 6625 1 13 . 1 1 12 12 ASP CA C 12 54.224 54.224 56.315 -2.091 25576 6626 1 13 . 1 1 12 12 ASP CB C 12 41.161 41.161 41.174 -0.013 25576 6627 1 13 . 1 1 12 12 ASP H H 12 8.411 8.411 8.732 -0.321 25576 6628 1 13 . 1 1 13 13 LEU N N 13 123.695 123.695 119.127 4.568 25576 6629 1 13 . 1 1 13 13 LEU HA H 13 4.306 4.306 4.078 0.228 25576 6630 1 13 . 1 1 13 13 LEU C C 13 178.231 178.231 177.924 0.307 25576 6631 1 13 . 1 1 13 13 LEU CA C 13 55.384 55.384 56.021 -0.637 25576 6632 1 13 . 1 1 13 13 LEU CB C 13 42.132 42.132 42.192 -0.060 25576 6633 1 13 . 1 1 13 13 LEU H H 13 8.391 8.391 7.807 0.584 25576 6634 1 13 . 1 1 14 14 GLY N N 14 108.928 108.928 105.241 3.687 25576 6635 1 13 . 1 1 14 14 GLY C C 14 174.014 174.014 173.747 0.267 25576 6636 1 13 . 1 1 14 14 GLY CA C 14 45.600 45.600 44.513 1.087 25576 6637 1 13 . 1 1 14 14 GLY H H 14 8.456 8.456 8.032 0.424 25576 6638 1 13 . 1 1 15 15 ASP N N 15 120.427 120.427 120.973 -0.546 25576 6639 1 13 . 1 1 15 15 ASP HA H 15 4.544 4.544 4.859 -0.315 25576 6640 1 13 . 1 1 15 15 ASP C C 15 176.810 176.810 175.032 1.778 25576 6641 1 13 . 1 1 15 15 ASP CA C 15 54.389 54.389 53.754 0.635 25576 6642 1 13 . 1 1 15 15 ASP CB C 15 41.153 41.153 41.880 -0.728 25576 6643 1 13 . 1 1 15 15 ASP H H 15 8.207 8.207 8.925 -0.718 25576 6644 1 13 . 1 1 16 16 LYS N N 16 121.257 121.257 124.260 -3.003 25576 6645 1 13 . 1 1 16 16 LYS HA H 16 4.269 4.269 4.572 -0.303 25576 6646 1 13 . 1 1 16 16 LYS C C 16 176.470 176.470 176.503 -0.033 25576 6647 1 13 . 1 1 16 16 LYS CA C 16 56.579 56.579 55.212 1.367 25576 6648 1 13 . 1 1 16 16 LYS CB C 16 29.470 29.470 33.949 -4.479 25576 6649 1 13 . 1 1 16 16 LYS H H 16 8.302 8.302 8.349 -0.047 25576 6650 1 13 . 1 1 17 17 LYS N N 17 122.205 122.205 123.193 -0.988 25576 6651 1 13 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.262 0.005 25576 6652 1 13 . 1 1 17 17 LYS C C 17 176.837 176.837 175.754 1.083 25576 6653 1 13 . 1 1 17 17 LYS CA C 17 56.177 56.177 56.584 -0.407 25576 6654 1 13 . 1 1 17 17 LYS CB C 17 32.684 32.684 33.144 -0.460 25576 6655 1 13 . 1 1 17 17 LYS H H 17 8.383 8.383 8.387 -0.004 25576 6656 1 13 . 1 1 18 18 GLU N N 18 121.859 121.859 119.876 1.983 25576 6657 1 13 . 1 1 18 18 GLU HA H 18 4.252 4.252 4.488 -0.236 25576 6658 1 13 . 1 1 18 18 GLU C C 18 176.964 176.964 175.326 1.638 25576 6659 1 13 . 1 1 18 18 GLU CA C 18 57.094 57.094 55.646 1.448 25576 6660 1 13 . 1 1 18 18 GLU CB C 18 30.261 30.261 31.048 -0.787 25576 6661 1 13 . 1 1 18 18 GLU H H 18 8.497 8.497 8.509 -0.012 25576 6662 1 13 . 1 1 19 19 GLY N N 19 109.716 109.716 108.314 1.402 25576 6663 1 13 . 1 1 19 19 GLY C C 19 173.520 173.520 173.674 -0.154 25576 6664 1 13 . 1 1 19 19 GLY CA C 19 45.386 45.386 44.925 0.461 25576 6665 1 13 . 1 1 19 19 GLY H H 19 8.447 8.447 8.948 -0.501 25576 6666 1 13 . 1 1 20 20 GLU N N 20 119.640 119.640 119.827 -0.187 25576 6667 1 13 . 1 1 20 20 GLU HA H 20 4.255 4.255 3.790 0.465 25576 6668 1 13 . 1 1 20 20 GLU C C 20 175.453 175.453 175.340 0.113 25576 6669 1 13 . 1 1 20 20 GLU CA C 20 56.726 56.726 57.071 -0.345 25576 6670 1 13 . 1 1 20 20 GLU CB C 20 30.806 30.806 28.096 2.710 25576 6671 1 13 . 1 1 20 20 GLU H H 20 8.227 8.227 8.377 -0.150 25576 6672 1 13 . 1 1 21 21 TYR N N 21 119.301 119.301 115.259 4.042 25576 6673 1 13 . 1 1 21 21 TYR HA H 21 5.083 5.083 5.531 -0.448 25576 6674 1 13 . 1 1 21 21 TYR C C 21 175.805 175.805 174.611 1.194 25576 6675 1 13 . 1 1 21 21 TYR CA C 21 57.427 57.427 55.543 1.884 25576 6676 1 13 . 1 1 21 21 TYR CB C 21 41.620 41.620 40.805 0.815 25576 6677 1 13 . 1 1 21 21 TYR H H 21 8.367 8.367 7.100 1.267 25576 6678 1 13 . 1 1 22 22 ILE N N 22 116.642 116.642 115.648 0.994 25576 6679 1 13 . 1 1 22 22 ILE HA H 22 4.787 4.787 4.923 -0.136 25576 6680 1 13 . 1 1 22 22 ILE C C 22 173.467 173.467 174.264 -0.797 25576 6681 1 13 . 1 1 22 22 ILE CA C 22 59.685 59.685 59.455 0.230 25576 6682 1 13 . 1 1 22 22 ILE CB C 22 42.383 42.383 41.578 0.805 25576 6683 1 13 . 1 1 22 22 ILE H H 22 9.151 9.151 9.093 0.058 25576 6684 1 13 . 1 1 23 23 LYS N N 23 124.306 124.306 119.659 4.647 25576 6685 1 13 . 1 1 23 23 LYS HA H 23 5.289 5.289 5.168 0.121 25576 6686 1 13 . 1 1 23 23 LYS C C 23 175.553 175.553 175.693 -0.140 25576 6687 1 13 . 1 1 23 23 LYS CA C 23 55.629 55.629 55.410 0.219 25576 6688 1 13 . 1 1 23 23 LYS CB C 23 33.744 33.744 34.606 -0.862 25576 6689 1 13 . 1 1 23 23 LYS H H 23 8.623 8.623 8.319 0.304 25576 6690 1 13 . 1 1 24 24 LEU N N 24 124.177 124.177 121.630 2.547 25576 6691 1 13 . 1 1 24 24 LEU HA H 24 4.974 4.974 5.027 -0.053 25576 6692 1 13 . 1 1 24 24 LEU C C 24 175.910 175.910 174.350 1.560 25576 6693 1 13 . 1 1 24 24 LEU CA C 24 52.835 52.835 54.050 -1.215 25576 6694 1 13 . 1 1 24 24 LEU CB C 24 46.661 46.661 47.168 -0.507 25576 6695 1 13 . 1 1 24 24 LEU H H 24 8.940 8.940 8.904 0.036 25576 6696 1 13 . 1 1 25 25 LYS N N 25 120.635 120.635 120.333 0.302 25576 6697 1 13 . 1 1 25 25 LYS HA H 25 4.714 4.714 4.721 -0.007 25576 6698 1 13 . 1 1 25 25 LYS C C 25 174.125 174.125 173.999 0.126 25576 6699 1 13 . 1 1 25 25 LYS CA C 25 55.122 55.122 53.656 1.466 25576 6700 1 13 . 1 1 25 25 LYS CB C 25 34.919 34.919 36.426 -1.507 25576 6701 1 13 . 1 1 25 25 LYS H H 25 8.621 8.621 8.595 0.026 25576 6702 1 13 . 1 1 26 26 VAL N N 26 124.130 124.130 124.308 -0.178 25576 6703 1 13 . 1 1 26 26 VAL HA H 26 5.043 5.043 4.708 0.335 25576 6704 1 13 . 1 1 26 26 VAL C C 26 176.195 176.195 174.227 1.968 25576 6705 1 13 . 1 1 26 26 VAL CA C 26 61.193 61.193 60.095 1.098 25576 6706 1 13 . 1 1 26 26 VAL CB C 26 32.270 32.270 35.468 -3.198 25576 6707 1 13 . 1 1 26 26 VAL H H 26 9.113 9.113 8.655 0.458 25576 6708 1 13 . 1 1 27 27 ILE N N 27 128.245 128.245 126.623 1.622 25576 6709 1 13 . 1 1 27 27 ILE HA H 27 5.012 5.012 4.485 0.527 25576 6710 1 13 . 1 1 27 27 ILE C C 27 175.976 175.976 175.435 0.541 25576 6711 1 13 . 1 1 27 27 ILE CA C 27 59.910 59.910 58.549 1.361 25576 6712 1 13 . 1 1 27 27 ILE CB C 27 39.851 39.851 37.175 2.676 25576 6713 1 13 . 1 1 27 27 ILE H H 27 9.063 9.063 8.622 0.441 25576 6714 1 13 . 1 1 28 28 GLY N N 28 113.332 113.332 112.615 0.717 25576 6715 1 13 . 1 1 28 28 GLY C C 28 175.505 175.505 175.788 -0.283 25576 6716 1 13 . 1 1 28 28 GLY CA C 28 43.958 43.958 44.232 -0.274 25576 6717 1 13 . 1 1 28 28 GLY H H 28 8.485 8.485 8.336 0.149 25576 6718 1 13 . 1 1 29 29 GLN N N 29 120.493 120.493 117.869 2.624 25576 6719 1 13 . 1 1 29 29 GLN HA H 29 4.113 4.113 4.250 -0.137 25576 6720 1 13 . 1 1 29 29 GLN C C 29 176.003 176.003 177.027 -1.024 25576 6721 1 13 . 1 1 29 29 GLN CA C 29 57.808 57.808 58.185 -0.377 25576 6722 1 13 . 1 1 29 29 GLN CB C 29 28.735 28.735 28.893 -0.158 25576 6723 1 13 . 1 1 29 29 GLN H H 29 8.768 8.768 8.863 -0.095 25576 6724 1 13 . 1 1 30 30 ASP N N 30 118.342 118.342 116.200 2.142 25576 6725 1 13 . 1 1 30 30 ASP HA H 30 4.537 4.537 4.701 -0.164 25576 6726 1 13 . 1 1 30 30 ASP C C 30 176.461 176.461 175.555 0.906 25576 6727 1 13 . 1 1 30 30 ASP CA C 30 53.271 53.271 53.391 -0.120 25576 6728 1 13 . 1 1 30 30 ASP CB C 30 39.867 39.867 41.046 -1.179 25576 6729 1 13 . 1 1 30 30 ASP H H 30 8.335 8.335 8.218 0.117 25576 6730 1 13 . 1 1 31 31 SER N N 31 111.069 111.069 112.789 -1.720 25576 6731 1 13 . 1 1 31 31 SER HA H 31 4.044 4.044 4.115 -0.071 25576 6732 1 13 . 1 1 31 31 SER C C 31 173.554 173.554 173.419 0.135 25576 6733 1 13 . 1 1 31 31 SER CA C 31 60.529 60.529 59.345 1.184 25576 6734 1 13 . 1 1 31 31 SER CB C 31 62.268 62.268 61.710 0.558 25576 6735 1 13 . 1 1 31 31 SER H H 31 7.997 7.997 7.927 0.070 25576 6736 1 13 . 1 1 32 32 SER N N 32 117.489 117.489 116.276 1.213 25576 6737 1 13 . 1 1 32 32 SER HA H 32 4.380 4.380 4.342 0.038 25576 6738 1 13 . 1 1 32 32 SER C C 32 173.550 173.550 174.732 -1.182 25576 6739 1 13 . 1 1 32 32 SER CA C 32 58.590 58.590 58.987 -0.397 25576 6740 1 13 . 1 1 32 32 SER CB C 32 64.008 64.008 63.730 0.278 25576 6741 1 13 . 1 1 32 32 SER H H 32 8.081 8.081 7.979 0.102 25576 6742 1 13 . 1 1 33 33 GLU N N 33 121.738 121.738 129.015 -7.277 25576 6743 1 13 . 1 1 33 33 GLU HA H 33 5.131 5.131 5.208 -0.077 25576 6744 1 13 . 1 1 33 33 GLU C C 33 175.317 175.317 175.898 -0.581 25576 6745 1 13 . 1 1 33 33 GLU CA C 33 55.212 55.212 55.607 -0.395 25576 6746 1 13 . 1 1 33 33 GLU CB C 33 32.596 32.596 30.434 2.162 25576 6747 1 13 . 1 1 33 33 GLU H H 33 8.616 8.616 8.586 0.030 25576 6748 1 13 . 1 1 34 34 ILE N N 34 124.389 124.389 125.022 -0.633 25576 6749 1 13 . 1 1 34 34 ILE HA H 34 4.359 4.359 4.474 -0.115 25576 6750 1 13 . 1 1 34 34 ILE C C 34 174.612 174.612 174.970 -0.358 25576 6751 1 13 . 1 1 34 34 ILE CA C 34 60.266 60.266 59.581 0.684 25576 6752 1 13 . 1 1 34 34 ILE CB C 34 40.906 40.906 39.763 1.143 25576 6753 1 13 . 1 1 34 34 ILE H H 34 8.670 8.670 8.368 0.302 25576 6754 1 13 . 1 1 35 35 HIS N N 35 125.683 125.683 124.858 0.825 25576 6755 1 13 . 1 1 35 35 HIS HA H 35 5.597 5.597 4.952 0.645 25576 6756 1 13 . 1 1 35 35 HIS C C 35 174.902 174.902 174.698 0.204 25576 6757 1 13 . 1 1 35 35 HIS CA C 35 54.765 54.765 54.287 0.478 25576 6758 1 13 . 1 1 35 35 HIS CB C 35 32.411 32.411 32.463 -0.052 25576 6759 1 13 . 1 1 35 35 HIS H H 35 8.699 8.699 8.734 -0.035 25576 6760 1 13 . 1 1 36 36 PHE N N 36 119.920 119.920 120.180 -0.260 25576 6761 1 13 . 1 1 36 36 PHE HA H 36 4.949 4.949 5.001 -0.052 25576 6762 1 13 . 1 1 36 36 PHE C C 36 174.000 174.000 173.336 0.664 25576 6763 1 13 . 1 1 36 36 PHE CA C 36 57.003 57.003 56.019 0.984 25576 6764 1 13 . 1 1 36 36 PHE CB C 36 44.431 44.431 41.576 2.855 25576 6765 1 13 . 1 1 36 36 PHE H H 36 9.103 9.103 8.029 1.074 25576 6766 1 13 . 1 1 37 37 LYS N N 37 123.747 123.747 120.108 3.639 25576 6767 1 13 . 1 1 37 37 LYS HA H 37 4.294 4.294 5.185 -0.891 25576 6768 1 13 . 1 1 37 37 LYS C C 37 176.145 176.145 174.962 1.183 25576 6769 1 13 . 1 1 37 37 LYS CA C 37 55.448 55.448 55.199 0.249 25576 6770 1 13 . 1 1 37 37 LYS CB C 37 33.467 33.467 34.119 -0.652 25576 6771 1 13 . 1 1 37 37 LYS H H 37 8.787 8.787 8.363 0.424 25576 6772 1 13 . 1 1 38 38 VAL N N 38 119.736 119.736 118.711 1.025 25576 6773 1 13 . 1 1 38 38 VAL HA H 38 4.957 4.957 4.480 0.477 25576 6774 1 13 . 1 1 38 38 VAL C C 38 174.245 174.245 174.608 -0.363 25576 6775 1 13 . 1 1 38 38 VAL CA C 38 58.935 58.935 58.973 -0.038 25576 6776 1 13 . 1 1 38 38 VAL CB C 38 35.429 35.429 35.836 -0.407 25576 6777 1 13 . 1 1 38 38 VAL H H 38 9.138 9.138 8.709 0.429 25576 6778 1 13 . 1 1 39 39 LYS N N 39 122.359 122.359 121.472 0.887 25576 6779 1 13 . 1 1 39 39 LYS HA H 39 3.837 3.837 4.431 -0.594 25576 6780 1 13 . 1 1 39 39 LYS C C 39 179.383 179.383 176.506 2.877 25576 6781 1 13 . 1 1 39 39 LYS CA C 39 56.814 56.814 57.104 -0.290 25576 6782 1 13 . 1 1 39 39 LYS CB C 39 30.576 30.576 33.165 -2.589 25576 6783 1 13 . 1 1 39 39 LYS H H 39 8.611 8.611 8.506 0.105 25576 6784 1 13 . 1 1 40 40 MET N N 40 119.929 119.929 116.795 3.134 25576 6785 1 13 . 1 1 40 40 MET HA H 40 4.103 4.103 4.508 -0.405 25576 6786 1 13 . 1 1 40 40 MET C C 40 176.546 176.546 177.466 -0.920 25576 6787 1 13 . 1 1 40 40 MET CA C 40 57.320 57.320 58.457 -1.137 25576 6788 1 13 . 1 1 40 40 MET CB C 40 30.903 30.903 33.521 -2.618 25576 6789 1 13 . 1 1 40 40 MET H H 40 8.562 8.562 8.769 -0.207 25576 6790 1 13 . 1 1 41 41 THR N N 41 100.263 100.263 110.307 -10.044 25576 6791 1 13 . 1 1 41 41 THR HA H 41 4.349 4.349 4.322 0.027 25576 6792 1 13 . 1 1 41 41 THR C C 41 174.506 174.506 174.294 0.212 25576 6793 1 13 . 1 1 41 41 THR CA C 41 60.147 60.147 61.688 -1.541 25576 6794 1 13 . 1 1 41 41 THR CB C 41 68.836 68.836 68.777 0.059 25576 6795 1 13 . 1 1 41 41 THR H H 41 6.974 6.974 8.106 -1.132 25576 6796 1 13 . 1 1 42 42 THR N N 42 120.616 120.616 114.924 5.692 25576 6797 1 13 . 1 1 42 42 THR HA H 42 4.187 4.187 4.330 -0.143 25576 6798 1 13 . 1 1 42 42 THR C C 42 174.052 174.052 173.508 0.544 25576 6799 1 13 . 1 1 42 42 THR CA C 42 63.153 63.153 60.297 2.856 25576 6800 1 13 . 1 1 42 42 THR CB C 42 69.645 69.645 70.461 -0.816 25576 6801 1 13 . 1 1 42 42 THR H H 42 7.192 7.192 7.512 -0.320 25576 6802 1 13 . 1 1 43 43 HIS N N 43 126.236 126.236 119.714 6.522 25576 6803 1 13 . 1 1 43 43 HIS HA H 43 4.411 4.411 4.671 -0.260 25576 6804 1 13 . 1 1 43 43 HIS C C 43 178.431 178.431 176.692 1.739 25576 6805 1 13 . 1 1 43 43 HIS CA C 43 57.366 57.366 55.623 1.743 25576 6806 1 13 . 1 1 43 43 HIS CB C 43 30.155 30.155 31.473 -1.318 25576 6807 1 13 . 1 1 43 43 HIS H H 43 8.807 8.807 8.459 0.348 25576 6808 1 13 . 1 1 44 44 LEU N N 44 124.757 124.757 123.500 1.257 25576 6809 1 13 . 1 1 44 44 LEU HA H 44 3.983 3.983 4.140 -0.157 25576 6810 1 13 . 1 1 44 44 LEU C C 44 177.051 177.051 178.047 -0.996 25576 6811 1 13 . 1 1 44 44 LEU CA C 44 58.790 58.790 55.738 3.052 25576 6812 1 13 . 1 1 44 44 LEU CB C 44 41.240 41.240 40.774 0.466 25576 6813 1 13 . 1 1 44 44 LEU H H 44 9.349 9.349 9.013 0.336 25576 6814 1 13 . 1 1 45 45 LYS N N 45 121.424 121.424 119.341 2.083 25576 6815 1 13 . 1 1 45 45 LYS HA H 45 3.584 3.584 3.821 -0.237 25576 6816 1 13 . 1 1 45 45 LYS C C 45 176.867 176.867 178.074 -1.207 25576 6817 1 13 . 1 1 45 45 LYS CA C 45 60.662 60.662 59.373 1.289 25576 6818 1 13 . 1 1 45 45 LYS CB C 45 33.389 33.389 31.231 2.158 25576 6819 1 13 . 1 1 45 45 LYS H H 45 8.543 8.543 7.853 0.690 25576 6820 1 13 . 1 1 46 46 LYS N N 46 114.033 114.033 118.632 -4.599 25576 6821 1 13 . 1 1 46 46 LYS HA H 46 4.087 4.087 4.056 0.031 25576 6822 1 13 . 1 1 46 46 LYS C C 46 178.977 178.977 178.266 0.711 25576 6823 1 13 . 1 1 46 46 LYS CA C 46 58.615 58.615 58.691 -0.075 25576 6824 1 13 . 1 1 46 46 LYS CB C 46 31.643 31.643 31.862 -0.219 25576 6825 1 13 . 1 1 46 46 LYS H H 46 7.517 7.517 7.390 0.127 25576 6826 1 13 . 1 1 47 47 LEU N N 47 121.871 121.871 122.054 -0.183 25576 6827 1 13 . 1 1 47 47 LEU HA H 47 3.660 3.660 3.742 -0.082 25576 6828 1 13 . 1 1 47 47 LEU C C 47 177.575 177.575 177.893 -0.318 25576 6829 1 13 . 1 1 47 47 LEU CA C 47 58.514 58.514 57.942 0.572 25576 6830 1 13 . 1 1 47 47 LEU CB C 47 41.890 41.890 41.911 -0.021 25576 6831 1 13 . 1 1 47 47 LEU H H 47 6.739 6.739 7.465 -0.726 25576 6832 1 13 . 1 1 48 48 LYS N N 48 118.246 118.246 118.088 0.158 25576 6833 1 13 . 1 1 48 48 LYS HA H 48 3.081 3.081 4.141 -1.060 25576 6834 1 13 . 1 1 48 48 LYS C C 48 178.700 178.700 178.764 -0.064 25576 6835 1 13 . 1 1 48 48 LYS CA C 48 59.712 59.712 59.682 0.030 25576 6836 1 13 . 1 1 48 48 LYS CB C 48 32.411 32.411 31.524 0.887 25576 6837 1 13 . 1 1 48 48 LYS H H 48 7.556 7.556 8.568 -1.012 25576 6838 1 13 . 1 1 49 49 GLU N N 49 118.092 118.092 119.221 -1.129 25576 6839 1 13 . 1 1 49 49 GLU HA H 49 3.973 3.973 3.974 -0.001 25576 6840 1 13 . 1 1 49 49 GLU C C 49 179.453 179.453 178.834 0.619 25576 6841 1 13 . 1 1 49 49 GLU CA C 49 59.627 59.627 59.080 0.547 25576 6842 1 13 . 1 1 49 49 GLU CB C 49 30.120 30.120 28.445 1.675 25576 6843 1 13 . 1 1 49 49 GLU H H 49 8.500 8.500 8.111 0.389 25576 6844 1 13 . 1 1 50 50 SER N N 50 115.646 115.646 117.276 -1.630 25576 6845 1 13 . 1 1 50 50 SER HA H 50 4.260 4.260 4.217 0.043 25576 6846 1 13 . 1 1 50 50 SER C C 50 177.171 177.171 176.484 0.687 25576 6847 1 13 . 1 1 50 50 SER CA C 50 61.947 61.947 62.150 -0.203 25576 6848 1 13 . 1 1 50 50 SER CB C 50 63.258 63.258 63.119 0.139 25576 6849 1 13 . 1 1 50 50 SER H H 50 7.966 7.966 7.892 0.074 25576 6850 1 13 . 1 1 51 51 TYR N N 51 122.610 122.610 120.675 1.935 25576 6851 1 13 . 1 1 51 51 TYR HA H 51 4.026 4.026 4.429 -0.403 25576 6852 1 13 . 1 1 51 51 TYR C C 51 177.374 177.374 176.975 0.399 25576 6853 1 13 . 1 1 51 51 TYR CA C 51 63.608 63.608 60.147 3.461 25576 6854 1 13 . 1 1 51 51 TYR CB C 51 38.618 38.618 37.468 1.150 25576 6855 1 13 . 1 1 51 51 TYR H H 51 8.833 8.833 8.095 0.738 25576 6856 1 13 . 1 1 52 52 CYS N N 52 117.395 117.395 119.705 -2.310 25576 6857 1 13 . 1 1 52 52 CYS HA H 52 3.915 3.915 3.655 0.260 25576 6858 1 13 . 1 1 52 52 CYS C C 52 177.182 177.182 176.598 0.584 25576 6859 1 13 . 1 1 52 52 CYS CA C 52 65.108 65.108 64.490 0.618 25576 6860 1 13 . 1 1 52 52 CYS CB C 52 26.151 26.151 27.170 -1.019 25576 6861 1 13 . 1 1 52 52 CYS H H 52 8.676 8.676 7.291 1.385 25576 6862 1 13 . 1 1 53 53 GLN N N 53 119.196 119.196 118.843 0.353 25576 6863 1 13 . 1 1 53 53 GLN HA H 53 4.109 4.109 3.955 0.154 25576 6864 1 13 . 1 1 53 53 GLN C C 53 179.105 179.105 178.169 0.936 25576 6865 1 13 . 1 1 53 53 GLN CA C 53 58.973 58.973 58.334 0.639 25576 6866 1 13 . 1 1 53 53 GLN CB C 53 28.211 28.211 27.964 0.247 25576 6867 1 13 . 1 1 53 53 GLN H H 53 8.322 8.322 8.138 0.184 25576 6868 1 13 . 1 1 54 54 ARG N N 54 120.139 120.139 119.599 0.540 25576 6869 1 13 . 1 1 54 54 ARG HA H 54 4.018 4.018 4.131 -0.113 25576 6870 1 13 . 1 1 54 54 ARG C C 54 178.300 178.300 178.583 -0.283 25576 6871 1 13 . 1 1 54 54 ARG CA C 54 58.552 58.552 58.165 0.387 25576 6872 1 13 . 1 1 54 54 ARG CB C 54 29.669 29.669 29.689 -0.020 25576 6873 1 13 . 1 1 54 54 ARG H H 54 8.011 8.011 7.712 0.299 25576 6874 1 13 . 1 1 55 55 GLN N N 55 114.160 114.160 116.490 -2.330 25576 6875 1 13 . 1 1 55 55 GLN HA H 55 4.251 4.251 4.326 -0.075 25576 6876 1 13 . 1 1 55 55 GLN C C 55 176.410 176.410 177.051 -0.641 25576 6877 1 13 . 1 1 55 55 GLN CA C 55 55.119 55.119 56.939 -1.820 25576 6878 1 13 . 1 1 55 55 GLN CB C 55 29.424 29.424 29.518 -0.094 25576 6879 1 13 . 1 1 55 55 GLN H H 55 7.806 7.806 7.719 0.087 25576 6880 1 13 . 1 1 56 56 GLY N N 56 109.749 109.749 107.346 2.403 25576 6881 1 13 . 1 1 56 56 GLY C C 56 174.908 174.908 173.982 0.926 25576 6882 1 13 . 1 1 56 56 GLY CA C 56 46.658 46.658 45.266 1.392 25576 6883 1 13 . 1 1 56 56 GLY H H 56 7.932 7.932 7.794 0.138 25576 6884 1 13 . 1 1 57 57 VAL N N 57 111.990 111.990 116.493 -4.503 25576 6885 1 13 . 1 1 57 57 VAL HA H 57 4.941 4.941 4.660 0.281 25576 6886 1 13 . 1 1 57 57 VAL CA C 57 57.534 57.534 57.739 -0.205 25576 6887 1 13 . 1 1 57 57 VAL CB C 57 32.697 32.697 33.396 -0.699 25576 6888 1 13 . 1 1 57 57 VAL H H 57 7.651 7.651 7.538 0.113 25576 6889 1 13 . 1 1 58 58 PRO HA H 58 4.528 4.528 4.600 -0.072 25576 6890 1 13 . 1 1 58 58 PRO C C 58 179.169 179.169 177.556 1.613 25576 6891 1 13 . 1 1 58 58 PRO CA C 58 62.211 62.211 62.294 -0.083 25576 6892 1 13 . 1 1 58 58 PRO CB C 58 32.543 32.543 32.648 -0.105 25576 6893 1 13 . 1 1 59 59 MET N N 59 124.522 124.522 118.810 5.712 25576 6894 1 13 . 1 1 59 59 MET HA H 59 4.703 4.703 4.208 0.495 25576 6895 1 13 . 1 1 59 59 MET C C 59 177.459 177.459 176.142 1.317 25576 6896 1 13 . 1 1 59 59 MET CA C 59 58.247 58.247 57.917 0.330 25576 6897 1 13 . 1 1 59 59 MET CB C 59 32.795 32.795 32.266 0.529 25576 6898 1 13 . 1 1 59 59 MET H H 59 9.002 9.002 8.399 0.603 25576 6899 1 13 . 1 1 60 60 ASN N N 60 113.185 113.185 112.927 0.258 25576 6900 1 13 . 1 1 60 60 ASN HA H 60 4.673 4.673 4.639 0.034 25576 6901 1 13 . 1 1 60 60 ASN C C 60 175.674 175.674 176.020 -0.346 25576 6902 1 13 . 1 1 60 60 ASN CA C 60 53.935 53.935 53.219 0.716 25576 6903 1 13 . 1 1 60 60 ASN CB C 60 37.217 37.217 37.780 -0.563 25576 6904 1 13 . 1 1 60 60 ASN H H 60 8.424 8.424 8.219 0.205 25576 6905 1 13 . 1 1 61 61 SER N N 61 113.092 113.092 114.799 -1.707 25576 6906 1 13 . 1 1 61 61 SER HA H 61 4.500 4.500 4.527 -0.028 25576 6907 1 13 . 1 1 61 61 SER C C 61 173.455 173.455 173.224 0.231 25576 6908 1 13 . 1 1 61 61 SER CA C 61 59.609 59.609 60.488 -0.879 25576 6909 1 13 . 1 1 61 61 SER CB C 61 64.812 64.812 64.318 0.494 25576 6910 1 13 . 1 1 61 61 SER H H 61 7.931 7.931 7.934 -0.003 25576 6911 1 13 . 1 1 62 62 LEU N N 62 120.961 120.961 116.096 4.865 25576 6912 1 13 . 1 1 62 62 LEU HA H 62 5.109 5.109 5.193 -0.084 25576 6913 1 13 . 1 1 62 62 LEU C C 62 175.588 175.588 175.291 0.297 25576 6914 1 13 . 1 1 62 62 LEU CA C 62 53.575 53.575 53.124 0.451 25576 6915 1 13 . 1 1 62 62 LEU CB C 62 46.262 46.262 45.669 0.593 25576 6916 1 13 . 1 1 62 62 LEU H H 62 7.265 7.265 7.181 0.084 25576 6917 1 13 . 1 1 63 63 ARG N N 63 120.142 120.142 118.901 1.241 25576 6918 1 13 . 1 1 63 63 ARG HA H 63 4.668 4.668 4.235 0.433 25576 6919 1 13 . 1 1 63 63 ARG C C 63 172.784 172.784 174.747 -1.963 25576 6920 1 13 . 1 1 63 63 ARG CA C 63 54.488 54.488 54.055 0.433 25576 6921 1 13 . 1 1 63 63 ARG CB C 63 33.111 33.111 32.132 0.980 25576 6922 1 13 . 1 1 63 63 ARG H H 63 8.993 8.993 9.092 -0.099 25576 6923 1 13 . 1 1 64 64 PHE N N 64 122.537 122.537 120.180 2.357 25576 6924 1 13 . 1 1 64 64 PHE HA H 64 4.959 4.959 5.645 -0.686 25576 6925 1 13 . 1 1 64 64 PHE C C 64 174.150 174.150 174.377 -0.227 25576 6926 1 13 . 1 1 64 64 PHE CA C 64 56.347 56.347 54.601 1.746 25576 6927 1 13 . 1 1 64 64 PHE CB C 64 40.762 40.762 40.079 0.683 25576 6928 1 13 . 1 1 64 64 PHE H H 64 8.923 8.923 8.055 0.868 25576 6929 1 13 . 1 1 65 65 LEU N N 65 124.212 124.212 119.578 4.634 25576 6930 1 13 . 1 1 65 65 LEU HA H 65 5.290 5.290 5.699 -0.409 25576 6931 1 13 . 1 1 65 65 LEU C C 65 175.903 175.903 174.375 1.528 25576 6932 1 13 . 1 1 65 65 LEU CA C 65 53.729 53.729 53.511 0.218 25576 6933 1 13 . 1 1 65 65 LEU CB C 65 46.385 46.385 46.263 0.122 25576 6934 1 13 . 1 1 65 65 LEU H H 65 9.738 9.738 9.249 0.489 25576 6935 1 13 . 1 1 66 66 PHE N N 66 119.384 119.384 120.411 -1.027 25576 6936 1 13 . 1 1 66 66 PHE HA H 66 5.202 5.202 4.968 0.234 25576 6937 1 13 . 1 1 66 66 PHE C C 66 175.017 175.017 174.767 0.250 25576 6938 1 13 . 1 1 66 66 PHE CA C 66 56.291 56.291 57.897 -1.606 25576 6939 1 13 . 1 1 66 66 PHE CB C 66 41.700 41.700 42.753 -1.053 25576 6940 1 13 . 1 1 66 66 PHE H H 66 8.968 8.968 9.105 -0.137 25576 6941 1 13 . 1 1 67 67 GLU N N 67 129.196 129.196 124.544 4.652 25576 6942 1 13 . 1 1 67 67 GLU HA H 67 3.540 3.540 3.589 -0.049 25576 6943 1 13 . 1 1 67 67 GLU C C 67 176.778 176.778 176.132 0.646 25576 6944 1 13 . 1 1 67 67 GLU CA C 67 56.769 56.769 56.770 -0.001 25576 6945 1 13 . 1 1 67 67 GLU CB C 67 26.897 26.897 27.395 -0.498 25576 6946 1 13 . 1 1 67 67 GLU H H 67 9.381 9.381 8.657 0.724 25576 6947 1 13 . 1 1 68 68 GLY N N 68 103.263 103.263 105.042 -1.779 25576 6948 1 13 . 1 1 68 68 GLY C C 68 173.651 173.651 173.179 0.472 25576 6949 1 13 . 1 1 68 68 GLY CA C 68 45.476 45.476 44.865 0.611 25576 6950 1 13 . 1 1 68 68 GLY H H 68 8.858 8.858 8.242 0.616 25576 6951 1 13 . 1 1 69 69 GLN N N 69 120.732 120.732 118.692 2.040 25576 6952 1 13 . 1 1 69 69 GLN HA H 69 4.589 4.589 4.716 -0.127 25576 6953 1 13 . 1 1 69 69 GLN C C 69 175.204 175.204 174.536 0.668 25576 6954 1 13 . 1 1 69 69 GLN CA C 69 53.776 53.776 54.105 -0.329 25576 6955 1 13 . 1 1 69 69 GLN CB C 69 30.660 30.660 32.034 -1.374 25576 6956 1 13 . 1 1 69 69 GLN H H 69 7.996 7.996 8.127 -0.131 25576 6957 1 13 . 1 1 70 70 ARG N N 70 125.102 125.102 123.278 1.824 25576 6958 1 13 . 1 1 70 70 ARG HA H 70 4.395 4.395 4.707 -0.312 25576 6959 1 13 . 1 1 70 70 ARG C C 70 177.004 177.004 176.038 0.966 25576 6960 1 13 . 1 1 70 70 ARG CA C 70 57.305 57.305 56.414 0.891 25576 6961 1 13 . 1 1 70 70 ARG CB C 70 30.511 30.511 31.134 -0.623 25576 6962 1 13 . 1 1 70 70 ARG H H 70 8.823 8.823 8.773 0.050 25576 6963 1 13 . 1 1 71 71 ILE N N 71 126.949 126.949 122.617 4.332 25576 6964 1 13 . 1 1 71 71 ILE HA H 71 4.477 4.477 4.545 -0.068 25576 6965 1 13 . 1 1 71 71 ILE C C 71 176.145 176.145 175.331 0.814 25576 6966 1 13 . 1 1 71 71 ILE CA C 71 61.337 61.337 59.056 2.281 25576 6967 1 13 . 1 1 71 71 ILE CB C 71 39.067 39.067 36.762 2.305 25576 6968 1 13 . 1 1 71 71 ILE H H 71 9.020 9.020 8.695 0.325 25576 6969 1 13 . 1 1 72 72 ALA N N 72 139.307 139.307 130.090 9.217 25576 6970 1 13 . 1 1 72 72 ALA HA H 72 4.334 4.334 4.564 -0.230 25576 6971 1 13 . 1 1 72 72 ALA C C 72 177.973 177.973 178.032 -0.059 25576 6972 1 13 . 1 1 72 72 ALA CA C 72 50.785 50.785 50.108 0.677 25576 6973 1 13 . 1 1 72 72 ALA CB C 72 18.407 18.407 21.337 -2.930 25576 6974 1 13 . 1 1 72 72 ALA H H 72 10.910 10.910 7.967 2.943 25576 6975 1 13 . 1 1 73 73 ASP N N 73 120.493 120.493 118.162 2.331 25576 6976 1 13 . 1 1 73 73 ASP HA H 73 3.823 3.823 4.289 -0.466 25576 6977 1 13 . 1 1 73 73 ASP C C 73 176.104 176.104 176.063 0.041 25576 6978 1 13 . 1 1 73 73 ASP CA C 73 57.113 57.113 56.588 0.525 25576 6979 1 13 . 1 1 73 73 ASP CB C 73 40.032 40.032 40.544 -0.512 25576 6980 1 13 . 1 1 73 73 ASP H H 73 8.770 8.770 8.613 0.157 25576 6981 1 13 . 1 1 74 74 ASN N N 74 109.526 109.526 115.556 -6.030 25576 6982 1 13 . 1 1 74 74 ASN HA H 74 4.245 4.245 4.016 0.229 25576 6983 1 13 . 1 1 74 74 ASN C C 74 176.050 176.050 174.470 1.580 25576 6984 1 13 . 1 1 74 74 ASN CA C 74 52.073 52.073 52.487 -0.414 25576 6985 1 13 . 1 1 74 74 ASN CB C 74 37.343 37.343 38.551 -1.208 25576 6986 1 13 . 1 1 74 74 ASN H H 74 7.738 7.738 7.973 -0.235 25576 6987 1 13 . 1 1 75 75 HIS N N 75 119.821 119.821 119.881 -0.060 25576 6988 1 13 . 1 1 75 75 HIS HA H 75 4.908 4.908 4.600 0.308 25576 6989 1 13 . 1 1 75 75 HIS C C 75 175.680 175.680 174.205 1.475 25576 6990 1 13 . 1 1 75 75 HIS CA C 75 56.606 56.606 55.734 0.872 25576 6991 1 13 . 1 1 75 75 HIS CB C 75 33.549 33.549 31.227 2.322 25576 6992 1 13 . 1 1 75 75 HIS H H 75 7.149 7.149 7.463 -0.314 25576 6993 1 13 . 1 1 76 76 THR N N 76 108.304 108.304 114.482 -6.178 25576 6994 1 13 . 1 1 76 76 THR HA H 76 5.197 5.197 5.288 -0.091 25576 6995 1 13 . 1 1 76 76 THR CA C 76 57.594 57.594 57.689 -0.095 25576 6996 1 13 . 1 1 76 76 THR CB C 76 70.033 70.033 71.146 -1.113 25576 6997 1 13 . 1 1 76 76 THR H H 76 7.303 7.303 8.306 -1.003 25576 6998 1 13 . 1 1 77 77 PRO HA H 77 4.241 4.241 4.149 0.092 25576 6999 1 13 . 1 1 77 77 PRO C C 77 178.445 178.445 177.904 0.541 25576 7000 1 13 . 1 1 77 77 PRO CA C 77 65.724 65.724 65.161 0.563 25576 7001 1 13 . 1 1 77 77 PRO CB C 77 32.479 32.479 31.867 0.612 25576 7002 1 13 . 1 1 78 78 LYS N N 78 115.329 115.329 116.419 -1.090 25576 7003 1 13 . 1 1 78 78 LYS HA H 78 3.956 3.956 4.085 -0.129 25576 7004 1 13 . 1 1 78 78 LYS C C 78 179.328 179.328 178.825 0.503 25576 7005 1 13 . 1 1 78 78 LYS CA C 78 59.012 59.012 59.133 -0.121 25576 7006 1 13 . 1 1 78 78 LYS CB C 78 32.845 32.845 31.660 1.185 25576 7007 1 13 . 1 1 78 78 LYS H H 78 8.073 8.073 7.636 0.437 25576 7008 1 13 . 1 1 79 79 GLU N N 79 120.840 120.840 119.635 1.205 25576 7009 1 13 . 1 1 79 79 GLU HA H 79 3.957 3.957 4.136 -0.179 25576 7010 1 13 . 1 1 79 79 GLU C C 79 178.566 178.566 178.508 0.058 25576 7011 1 13 . 1 1 79 79 GLU CA C 79 58.790 58.790 58.401 0.389 25576 7012 1 13 . 1 1 79 79 GLU CB C 79 30.290 30.290 29.386 0.904 25576 7013 1 13 . 1 1 79 79 GLU H H 79 7.978 7.978 7.529 0.449 25576 7014 1 13 . 1 1 80 80 LEU N N 80 115.072 115.072 117.780 -2.708 25576 7015 1 13 . 1 1 80 80 LEU HA H 80 4.222 4.222 4.298 -0.076 25576 7016 1 13 . 1 1 80 80 LEU C C 80 176.602 176.602 177.442 -0.840 25576 7017 1 13 . 1 1 80 80 LEU CA C 80 54.613 54.613 55.325 -0.712 25576 7018 1 13 . 1 1 80 80 LEU CB C 80 42.453 42.453 42.084 0.369 25576 7019 1 13 . 1 1 80 80 LEU H H 80 7.486 7.486 8.052 -0.566 25576 7020 1 13 . 1 1 81 81 GLY N N 81 108.019 108.019 106.296 1.723 25576 7021 1 13 . 1 1 81 81 GLY C C 81 175.390 175.390 174.117 1.273 25576 7022 1 13 . 1 1 81 81 GLY CA C 81 46.622 46.622 45.087 1.535 25576 7023 1 13 . 1 1 81 81 GLY H H 81 7.644 7.644 7.366 0.278 25576 7024 1 13 . 1 1 82 82 MET N N 82 117.606 117.606 117.775 -0.169 25576 7025 1 13 . 1 1 82 82 MET HA H 82 4.185 4.185 4.636 -0.451 25576 7026 1 13 . 1 1 82 82 MET C C 82 174.482 174.482 174.805 -0.323 25576 7027 1 13 . 1 1 82 82 MET CA C 82 57.019 57.019 54.759 2.260 25576 7028 1 13 . 1 1 82 82 MET CB C 82 34.089 34.089 35.284 -1.195 25576 7029 1 13 . 1 1 82 82 MET H H 82 7.628 7.628 8.283 -0.655 25576 7030 1 13 . 1 1 83 83 GLU N N 83 120.980 120.980 118.241 2.739 25576 7031 1 13 . 1 1 83 83 GLU HA H 83 4.457 4.457 4.712 -0.255 25576 7032 1 13 . 1 1 83 83 GLU C C 83 174.297 174.297 175.408 -1.111 25576 7033 1 13 . 1 1 83 83 GLU CA C 83 53.875 53.875 54.196 -0.320 25576 7034 1 13 . 1 1 83 83 GLU CB C 83 33.937 33.937 32.262 1.675 25576 7035 1 13 . 1 1 83 83 GLU H H 83 9.314 9.314 7.878 1.436 25576 7036 1 13 . 1 1 84 84 GLU N N 84 119.063 119.063 120.383 -1.320 25576 7037 1 13 . 1 1 84 84 GLU HA H 84 4.199 4.199 4.244 -0.045 25576 7038 1 13 . 1 1 84 84 GLU C C 84 177.527 177.527 176.647 0.880 25576 7039 1 13 . 1 1 84 84 GLU CA C 84 58.549 58.549 56.875 1.674 25576 7040 1 13 . 1 1 84 84 GLU CB C 84 29.993 29.993 29.600 0.393 25576 7041 1 13 . 1 1 84 84 GLU H H 84 8.341 8.341 8.454 -0.113 25576 7042 1 13 . 1 1 85 85 GLU N N 85 118.840 118.840 119.848 -1.008 25576 7043 1 13 . 1 1 85 85 GLU HA H 85 3.645 3.645 3.836 -0.191 25576 7044 1 13 . 1 1 85 85 GLU C C 85 175.047 175.047 175.404 -0.357 25576 7045 1 13 . 1 1 85 85 GLU CA C 85 58.846 58.846 58.026 0.820 25576 7046 1 13 . 1 1 85 85 GLU CB C 85 26.691 26.691 28.887 -2.196 25576 7047 1 13 . 1 1 85 85 GLU H H 85 9.357 9.357 9.131 0.226 25576 7048 1 13 . 1 1 86 86 ASP N N 86 120.217 120.217 119.352 0.865 25576 7049 1 13 . 1 1 86 86 ASP HA H 86 4.880 4.880 4.563 0.317 25576 7050 1 13 . 1 1 86 86 ASP C C 86 174.417 174.417 174.689 -0.272 25576 7051 1 13 . 1 1 86 86 ASP CA C 86 55.822 55.822 55.439 0.383 25576 7052 1 13 . 1 1 86 86 ASP CB C 86 41.926 41.926 42.429 -0.503 25576 7053 1 13 . 1 1 86 86 ASP H H 86 8.155 8.155 7.651 0.504 25576 7054 1 13 . 1 1 87 87 VAL N N 87 116.641 116.641 119.728 -3.087 25576 7055 1 13 . 1 1 87 87 VAL HA H 87 4.924 4.924 5.146 -0.222 25576 7056 1 13 . 1 1 87 87 VAL C C 87 176.064 176.064 174.578 1.486 25576 7057 1 13 . 1 1 87 87 VAL CA C 87 61.311 61.311 60.308 1.003 25576 7058 1 13 . 1 1 87 87 VAL CB C 87 35.067 35.067 35.278 -0.211 25576 7059 1 13 . 1 1 87 87 VAL H H 87 8.191 8.191 8.345 -0.154 25576 7060 1 13 . 1 1 88 88 ILE N N 88 127.353 127.353 126.607 0.746 25576 7061 1 13 . 1 1 88 88 ILE HA H 88 4.845 4.845 4.644 0.201 25576 7062 1 13 . 1 1 88 88 ILE C C 88 174.967 174.967 173.869 1.098 25576 7063 1 13 . 1 1 88 88 ILE CA C 88 59.381 59.381 59.677 -0.296 25576 7064 1 13 . 1 1 88 88 ILE CB C 88 40.984 40.984 41.072 -0.088 25576 7065 1 13 . 1 1 88 88 ILE H H 88 9.165 9.165 8.907 0.258 25576 7066 1 13 . 1 1 89 89 GLU N N 89 125.851 125.851 123.745 2.106 25576 7067 1 13 . 1 1 89 89 GLU HA H 89 4.820 4.820 4.677 0.143 25576 7068 1 13 . 1 1 89 89 GLU C C 89 175.262 175.262 174.838 0.424 25576 7069 1 13 . 1 1 89 89 GLU CA C 89 55.158 55.158 54.749 0.409 25576 7070 1 13 . 1 1 89 89 GLU CB C 89 33.359 33.359 32.329 1.030 25576 7071 1 13 . 1 1 89 89 GLU H H 89 8.858 8.858 8.650 0.208 25576 7072 1 13 . 1 1 90 90 VAL N N 90 119.735 119.735 125.191 -5.456 25576 7073 1 13 . 1 1 90 90 VAL HA H 90 4.817 4.817 5.256 -0.439 25576 7074 1 13 . 1 1 90 90 VAL C C 90 174.870 174.870 174.735 0.135 25576 7075 1 13 . 1 1 90 90 VAL CA C 90 59.412 59.412 60.747 -1.335 25576 7076 1 13 . 1 1 90 90 VAL CB C 90 34.031 34.031 34.909 -0.878 25576 7077 1 13 . 1 1 90 90 VAL H H 90 7.770 7.770 8.254 -0.484 25576 7078 1 13 . 1 1 91 91 TYR N N 91 124.243 124.243 123.264 0.979 25576 7079 1 13 . 1 1 91 91 TYR HA H 91 4.621 4.621 4.824 -0.203 25576 7080 1 13 . 1 1 91 91 TYR C C 91 174.588 174.588 174.848 -0.260 25576 7081 1 13 . 1 1 91 91 TYR CA C 91 56.018 56.018 56.745 -0.727 25576 7082 1 13 . 1 1 91 91 TYR CB C 91 42.641 42.641 42.738 -0.097 25576 7083 1 13 . 1 1 91 91 TYR H H 91 8.540 8.540 9.108 -0.568 25576 7084 1 13 . 1 1 92 92 GLN N N 92 120.784 120.784 119.643 1.141 25576 7085 1 13 . 1 1 92 92 GLN HA H 92 4.529 4.529 4.580 -0.051 25576 7086 1 13 . 1 1 92 92 GLN C C 92 176.679 176.679 175.998 0.681 25576 7087 1 13 . 1 1 92 92 GLN CA C 92 56.135 56.135 55.439 0.696 25576 7088 1 13 . 1 1 92 92 GLN CB C 92 29.342 29.342 30.298 -0.956 25576 7089 1 13 . 1 1 92 92 GLN H H 92 8.726 8.726 8.874 -0.148 25576 7090 1 13 . 1 1 93 93 GLU N N 93 125.131 125.131 123.733 1.398 25576 7091 1 13 . 1 1 93 93 GLU HA H 93 4.364 4.364 4.499 -0.135 25576 7092 1 13 . 1 1 93 93 GLU C C 93 176.244 176.244 176.985 -0.741 25576 7093 1 13 . 1 1 93 93 GLU CA C 93 56.111 56.111 55.818 0.293 25576 7094 1 13 . 1 1 93 93 GLU CB C 93 30.517 30.517 30.305 0.211 25576 7095 1 13 . 1 1 93 93 GLU H H 93 8.419 8.419 9.047 -0.628 25576 7096 1 13 . 1 1 94 94 GLN N N 94 122.912 122.912 118.463 4.449 25576 7097 1 13 . 1 1 94 94 GLN HA H 94 4.439 4.439 4.187 0.252 25576 7098 1 13 . 1 1 94 94 GLN C C 94 176.135 176.135 176.743 -0.608 25576 7099 1 13 . 1 1 94 94 GLN CA C 94 55.585 55.585 56.815 -1.230 25576 7100 1 13 . 1 1 94 94 GLN CB C 94 29.513 29.513 29.267 0.246 25576 7101 1 13 . 1 1 94 94 GLN H H 94 8.780 8.780 7.740 1.040 25576 7102 1 13 . 1 1 95 95 THR N N 95 116.094 116.094 113.011 3.083 25576 7103 1 13 . 1 1 95 95 THR HA H 95 4.294 4.294 4.447 -0.153 25576 7104 1 13 . 1 1 95 95 THR C C 95 175.136 175.136 174.670 0.466 25576 7105 1 13 . 1 1 95 95 THR CA C 95 61.971 61.971 62.394 -0.423 25576 7106 1 13 . 1 1 95 95 THR CB C 95 69.829 69.829 69.618 0.211 25576 7107 1 13 . 1 1 95 95 THR H H 95 8.392 8.392 8.206 0.186 25576 7108 1 13 . 1 1 96 96 GLY N N 96 111.858 111.858 110.177 1.681 25576 7109 1 13 . 1 1 96 96 GLY C C 96 173.704 173.704 173.173 0.531 25576 7110 1 13 . 1 1 96 96 GLY CA C 96 45.424 45.424 45.137 0.287 25576 7111 1 13 . 1 1 96 96 GLY H H 96 8.508 8.508 7.837 0.671 25576 7112 1 14 . 1 1 2 2 SER N N 2 116.367 116.367 114.679 1.688 25576 7113 1 14 . 1 1 2 2 SER HA H 2 4.458 4.458 4.311 0.147 25576 7114 1 14 . 1 1 2 2 SER C C 2 174.579 174.579 174.700 -0.121 25576 7115 1 14 . 1 1 2 2 SER CA C 2 58.539 58.539 60.125 -1.586 25576 7116 1 14 . 1 1 2 2 SER CB C 2 63.940 63.940 62.531 1.409 25576 7117 1 14 . 1 1 2 2 SER H H 2 8.127 8.127 8.859 -0.732 25576 7118 1 14 . 1 1 3 3 ASP N N 3 122.355 122.355 117.966 4.389 25576 7119 1 14 . 1 1 3 3 ASP HA H 3 4.566 4.566 4.598 -0.032 25576 7120 1 14 . 1 1 3 3 ASP C C 3 176.445 176.445 176.076 0.369 25576 7121 1 14 . 1 1 3 3 ASP CA C 3 54.819 54.819 54.856 -0.037 25576 7122 1 14 . 1 1 3 3 ASP CB C 3 40.939 40.939 40.717 0.222 25576 7123 1 14 . 1 1 3 3 ASP H H 3 8.360 8.360 8.638 -0.278 25576 7124 1 14 . 1 1 4 4 GLN N N 4 119.955 119.955 117.593 2.362 25576 7125 1 14 . 1 1 4 4 GLN HA H 4 4.262 4.262 4.520 -0.258 25576 7126 1 14 . 1 1 4 4 GLN C C 4 176.138 176.138 174.683 1.455 25576 7127 1 14 . 1 1 4 4 GLN CA C 4 55.933 55.933 55.943 -0.010 25576 7128 1 14 . 1 1 4 4 GLN CB C 4 29.411 29.411 28.961 0.450 25576 7129 1 14 . 1 1 4 4 GLN H H 4 8.250 8.250 8.273 -0.023 25576 7130 1 14 . 1 1 5 5 GLU N N 5 121.392 121.392 120.066 1.326 25576 7131 1 14 . 1 1 5 5 GLU HA H 5 4.203 4.203 4.601 -0.398 25576 7132 1 14 . 1 1 5 5 GLU C C 5 176.137 176.137 174.765 1.372 25576 7133 1 14 . 1 1 5 5 GLU CA C 5 56.480 56.480 55.689 0.791 25576 7134 1 14 . 1 1 5 5 GLU CB C 5 30.261 30.261 31.727 -1.466 25576 7135 1 14 . 1 1 5 5 GLU H H 5 8.292 8.292 7.856 0.436 25576 7136 1 14 . 1 1 6 6 ALA N N 6 125.339 125.339 123.061 2.278 25576 7137 1 14 . 1 1 6 6 ALA HA H 6 4.261 4.261 4.539 -0.278 25576 7138 1 14 . 1 1 6 6 ALA C C 6 177.348 177.348 175.599 1.749 25576 7139 1 14 . 1 1 6 6 ALA CA C 6 52.319 52.319 51.494 0.825 25576 7140 1 14 . 1 1 6 6 ALA CB C 6 19.120 19.120 20.280 -1.160 25576 7141 1 14 . 1 1 6 6 ALA H H 6 8.253 8.253 8.175 0.078 25576 7142 1 14 . 1 1 7 7 LYS N N 7 122.299 122.299 122.116 0.183 25576 7143 1 14 . 1 1 7 7 LYS HA H 7 4.573 4.573 5.121 -0.548 25576 7144 1 14 . 1 1 7 7 LYS CA C 7 54.062 54.062 54.782 -0.720 25576 7145 1 14 . 1 1 7 7 LYS CB C 7 32.588 32.588 34.329 -1.741 25576 7146 1 14 . 1 1 7 7 LYS H H 7 8.302 8.302 8.697 -0.395 25576 7147 1 14 . 1 1 8 8 PRO HA H 8 4.425 4.425 4.781 -0.356 25576 7148 1 14 . 1 1 8 8 PRO C C 8 177.020 177.020 175.650 1.370 25576 7149 1 14 . 1 1 8 8 PRO CA C 8 63.029 63.029 62.609 0.420 25576 7150 1 14 . 1 1 8 8 PRO CB C 8 32.158 32.158 33.019 -0.861 25576 7151 1 14 . 1 1 9 9 SER N N 9 116.888 116.888 113.989 2.899 25576 7152 1 14 . 1 1 9 9 SER HA H 9 4.479 4.479 4.658 -0.179 25576 7153 1 14 . 1 1 9 9 SER C C 9 174.261 174.261 173.156 1.105 25576 7154 1 14 . 1 1 9 9 SER CA C 9 58.299 58.299 57.917 0.382 25576 7155 1 14 . 1 1 9 9 SER CB C 9 63.848 63.848 64.002 -0.154 25576 7156 1 14 . 1 1 9 9 SER H H 9 8.596 8.596 8.161 0.435 25576 7157 1 14 . 1 1 10 10 THR N N 10 115.838 115.838 116.051 -0.213 25576 7158 1 14 . 1 1 10 10 THR HA H 10 4.334 4.334 4.546 -0.212 25576 7159 1 14 . 1 1 10 10 THR C C 10 176.158 176.158 173.181 2.977 25576 7160 1 14 . 1 1 10 10 THR CA C 10 61.966 61.966 62.440 -0.473 25576 7161 1 14 . 1 1 10 10 THR CB C 10 69.581 69.581 69.121 0.460 25576 7162 1 14 . 1 1 10 10 THR H H 10 8.247 8.247 8.370 -0.123 25576 7163 1 14 . 1 1 11 11 GLU N N 11 122.975 122.975 120.625 2.350 25576 7164 1 14 . 1 1 11 11 GLU HA H 11 4.237 4.237 4.555 -0.318 25576 7165 1 14 . 1 1 11 11 GLU C C 11 175.920 175.920 174.612 1.308 25576 7166 1 14 . 1 1 11 11 GLU CA C 11 56.779 56.779 55.903 0.876 25576 7167 1 14 . 1 1 11 11 GLU CB C 11 29.869 29.869 31.344 -1.475 25576 7168 1 14 . 1 1 11 11 GLU H H 11 8.355 8.355 7.984 0.371 25576 7169 1 14 . 1 1 12 12 ASP N N 12 122.117 122.117 121.624 0.493 25576 7170 1 14 . 1 1 12 12 ASP HA H 12 4.562 4.562 5.028 -0.466 25576 7171 1 14 . 1 1 12 12 ASP C C 12 176.402 176.402 175.199 1.203 25576 7172 1 14 . 1 1 12 12 ASP CA C 12 54.224 54.224 53.037 1.187 25576 7173 1 14 . 1 1 12 12 ASP CB C 12 41.161 41.161 41.878 -0.717 25576 7174 1 14 . 1 1 12 12 ASP H H 12 8.411 8.411 8.127 0.284 25576 7175 1 14 . 1 1 13 13 LEU N N 13 123.695 123.695 119.271 4.424 25576 7176 1 14 . 1 1 13 13 LEU HA H 13 4.306 4.306 5.107 -0.801 25576 7177 1 14 . 1 1 13 13 LEU C C 13 178.231 178.231 175.407 2.824 25576 7178 1 14 . 1 1 13 13 LEU CA C 13 55.384 55.384 54.034 1.350 25576 7179 1 14 . 1 1 13 13 LEU CB C 13 42.132 42.132 44.918 -2.786 25576 7180 1 14 . 1 1 13 13 LEU H H 13 8.391 8.391 8.586 -0.195 25576 7181 1 14 . 1 1 14 14 GLY N N 14 108.928 108.928 107.180 1.748 25576 7182 1 14 . 1 1 14 14 GLY C C 14 174.014 174.014 173.397 0.617 25576 7183 1 14 . 1 1 14 14 GLY CA C 14 45.600 45.600 45.214 0.386 25576 7184 1 14 . 1 1 14 14 GLY H H 14 8.456 8.456 8.336 0.120 25576 7185 1 14 . 1 1 15 15 ASP N N 15 120.427 120.427 122.025 -1.598 25576 7186 1 14 . 1 1 15 15 ASP HA H 15 4.544 4.544 4.605 -0.061 25576 7187 1 14 . 1 1 15 15 ASP C C 15 176.810 176.810 176.342 0.468 25576 7188 1 14 . 1 1 15 15 ASP CA C 15 54.389 54.389 54.546 -0.157 25576 7189 1 14 . 1 1 15 15 ASP CB C 15 41.153 41.153 41.367 -0.214 25576 7190 1 14 . 1 1 15 15 ASP H H 15 8.207 8.207 8.120 0.087 25576 7191 1 14 . 1 1 16 16 LYS N N 16 121.257 121.257 122.351 -1.094 25576 7192 1 14 . 1 1 16 16 LYS HA H 16 4.269 4.269 4.455 -0.186 25576 7193 1 14 . 1 1 16 16 LYS C C 16 176.470 176.470 176.601 -0.131 25576 7194 1 14 . 1 1 16 16 LYS CA C 16 56.579 56.579 55.162 1.417 25576 7195 1 14 . 1 1 16 16 LYS CB C 16 29.470 29.470 33.276 -3.805 25576 7196 1 14 . 1 1 16 16 LYS H H 16 8.302 8.302 8.215 0.087 25576 7197 1 14 . 1 1 17 17 LYS N N 17 122.205 122.205 121.651 0.554 25576 7198 1 14 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.228 0.039 25576 7199 1 14 . 1 1 17 17 LYS C C 17 176.837 176.837 175.865 0.972 25576 7200 1 14 . 1 1 17 17 LYS CA C 17 56.177 56.177 56.783 -0.606 25576 7201 1 14 . 1 1 17 17 LYS CB C 17 32.684 32.684 32.905 -0.221 25576 7202 1 14 . 1 1 17 17 LYS H H 17 8.383 8.383 8.566 -0.183 25576 7203 1 14 . 1 1 18 18 GLU N N 18 121.859 121.859 118.167 3.692 25576 7204 1 14 . 1 1 18 18 GLU HA H 18 4.252 4.252 4.627 -0.375 25576 7205 1 14 . 1 1 18 18 GLU C C 18 176.964 176.964 175.193 1.771 25576 7206 1 14 . 1 1 18 18 GLU CA C 18 57.094 57.094 55.871 1.223 25576 7207 1 14 . 1 1 18 18 GLU CB C 18 30.261 30.261 31.035 -0.774 25576 7208 1 14 . 1 1 18 18 GLU H H 18 8.497 8.497 8.240 0.257 25576 7209 1 14 . 1 1 19 19 GLY N N 19 109.716 109.716 107.230 2.486 25576 7210 1 14 . 1 1 19 19 GLY C C 19 173.520 173.520 173.771 -0.251 25576 7211 1 14 . 1 1 19 19 GLY CA C 19 45.386 45.386 44.978 0.408 25576 7212 1 14 . 1 1 19 19 GLY H H 19 8.447 8.447 8.506 -0.059 25576 7213 1 14 . 1 1 20 20 GLU N N 20 119.640 119.640 115.960 3.680 25576 7214 1 14 . 1 1 20 20 GLU HA H 20 4.255 4.255 4.037 0.218 25576 7215 1 14 . 1 1 20 20 GLU C C 20 175.453 175.453 175.406 0.047 25576 7216 1 14 . 1 1 20 20 GLU CA C 20 56.726 56.726 57.153 -0.427 25576 7217 1 14 . 1 1 20 20 GLU CB C 20 30.806 30.806 27.444 3.362 25576 7218 1 14 . 1 1 20 20 GLU H H 20 8.227 8.227 8.718 -0.491 25576 7219 1 14 . 1 1 21 21 TYR N N 21 119.301 119.301 114.929 4.372 25576 7220 1 14 . 1 1 21 21 TYR HA H 21 5.083 5.083 5.379 -0.296 25576 7221 1 14 . 1 1 21 21 TYR C C 21 175.805 175.805 174.277 1.528 25576 7222 1 14 . 1 1 21 21 TYR CA C 21 57.427 57.427 56.144 1.283 25576 7223 1 14 . 1 1 21 21 TYR CB C 21 41.620 41.620 40.398 1.222 25576 7224 1 14 . 1 1 21 21 TYR H H 21 8.367 8.367 7.301 1.066 25576 7225 1 14 . 1 1 22 22 ILE N N 22 116.642 116.642 115.383 1.259 25576 7226 1 14 . 1 1 22 22 ILE HA H 22 4.787 4.787 4.699 0.088 25576 7227 1 14 . 1 1 22 22 ILE C C 22 173.467 173.467 174.388 -0.921 25576 7228 1 14 . 1 1 22 22 ILE CA C 22 59.685 59.685 59.253 0.432 25576 7229 1 14 . 1 1 22 22 ILE CB C 22 42.383 42.383 41.890 0.493 25576 7230 1 14 . 1 1 22 22 ILE H H 22 9.151 9.151 9.050 0.101 25576 7231 1 14 . 1 1 23 23 LYS N N 23 124.306 124.306 119.526 4.780 25576 7232 1 14 . 1 1 23 23 LYS HA H 23 5.289 5.289 5.070 0.219 25576 7233 1 14 . 1 1 23 23 LYS C C 23 175.553 175.553 175.370 0.183 25576 7234 1 14 . 1 1 23 23 LYS CA C 23 55.629 55.629 55.477 0.152 25576 7235 1 14 . 1 1 23 23 LYS CB C 23 33.744 33.744 34.751 -1.007 25576 7236 1 14 . 1 1 23 23 LYS H H 23 8.623 8.623 8.283 0.340 25576 7237 1 14 . 1 1 24 24 LEU N N 24 124.177 124.177 121.687 2.490 25576 7238 1 14 . 1 1 24 24 LEU HA H 24 4.974 4.974 5.136 -0.162 25576 7239 1 14 . 1 1 24 24 LEU C C 24 175.910 175.910 174.497 1.413 25576 7240 1 14 . 1 1 24 24 LEU CA C 24 52.835 52.835 53.890 -1.055 25576 7241 1 14 . 1 1 24 24 LEU CB C 24 46.661 46.661 47.057 -0.396 25576 7242 1 14 . 1 1 24 24 LEU H H 24 8.940 8.940 8.665 0.275 25576 7243 1 14 . 1 1 25 25 LYS N N 25 120.635 120.635 120.292 0.343 25576 7244 1 14 . 1 1 25 25 LYS HA H 25 4.714 4.714 4.716 -0.002 25576 7245 1 14 . 1 1 25 25 LYS C C 25 174.125 174.125 174.124 0.001 25576 7246 1 14 . 1 1 25 25 LYS CA C 25 55.122 55.122 53.610 1.512 25576 7247 1 14 . 1 1 25 25 LYS CB C 25 34.919 34.919 36.471 -1.552 25576 7248 1 14 . 1 1 25 25 LYS H H 25 8.621 8.621 8.437 0.184 25576 7249 1 14 . 1 1 26 26 VAL N N 26 124.130 124.130 125.053 -0.923 25576 7250 1 14 . 1 1 26 26 VAL HA H 26 5.043 5.043 4.640 0.403 25576 7251 1 14 . 1 1 26 26 VAL C C 26 176.195 176.195 174.153 2.042 25576 7252 1 14 . 1 1 26 26 VAL CA C 26 61.193 61.193 60.224 0.969 25576 7253 1 14 . 1 1 26 26 VAL CB C 26 32.270 32.270 35.548 -3.278 25576 7254 1 14 . 1 1 26 26 VAL H H 26 9.113 9.113 8.622 0.491 25576 7255 1 14 . 1 1 27 27 ILE N N 27 128.245 128.245 126.357 1.888 25576 7256 1 14 . 1 1 27 27 ILE HA H 27 5.012 5.012 4.413 0.599 25576 7257 1 14 . 1 1 27 27 ILE C C 27 175.976 175.976 175.519 0.457 25576 7258 1 14 . 1 1 27 27 ILE CA C 27 59.910 59.910 58.257 1.653 25576 7259 1 14 . 1 1 27 27 ILE CB C 27 39.851 39.851 37.152 2.699 25576 7260 1 14 . 1 1 27 27 ILE H H 27 9.063 9.063 8.327 0.736 25576 7261 1 14 . 1 1 28 28 GLY N N 28 113.332 113.332 112.459 0.873 25576 7262 1 14 . 1 1 28 28 GLY C C 28 175.505 175.505 175.634 -0.129 25576 7263 1 14 . 1 1 28 28 GLY CA C 28 43.958 43.958 44.067 -0.109 25576 7264 1 14 . 1 1 28 28 GLY H H 28 8.485 8.485 8.214 0.271 25576 7265 1 14 . 1 1 29 29 GLN N N 29 120.493 120.493 117.704 2.789 25576 7266 1 14 . 1 1 29 29 GLN HA H 29 4.113 4.113 4.272 -0.159 25576 7267 1 14 . 1 1 29 29 GLN C C 29 176.003 176.003 176.885 -0.882 25576 7268 1 14 . 1 1 29 29 GLN CA C 29 57.808 57.808 57.840 -0.032 25576 7269 1 14 . 1 1 29 29 GLN CB C 29 28.735 28.735 28.936 -0.201 25576 7270 1 14 . 1 1 29 29 GLN H H 29 8.768 8.768 8.855 -0.087 25576 7271 1 14 . 1 1 30 30 ASP N N 30 118.342 118.342 116.540 1.802 25576 7272 1 14 . 1 1 30 30 ASP HA H 30 4.537 4.537 4.702 -0.165 25576 7273 1 14 . 1 1 30 30 ASP C C 30 176.461 176.461 176.157 0.304 25576 7274 1 14 . 1 1 30 30 ASP CA C 30 53.271 53.271 53.486 -0.215 25576 7275 1 14 . 1 1 30 30 ASP CB C 30 39.867 39.867 41.124 -1.257 25576 7276 1 14 . 1 1 30 30 ASP H H 30 8.335 8.335 8.146 0.189 25576 7277 1 14 . 1 1 31 31 SER N N 31 111.069 111.069 113.720 -2.651 25576 7278 1 14 . 1 1 31 31 SER HA H 31 4.044 4.044 4.183 -0.139 25576 7279 1 14 . 1 1 31 31 SER C C 31 173.554 173.554 173.480 0.074 25576 7280 1 14 . 1 1 31 31 SER CA C 31 60.529 60.529 59.450 1.079 25576 7281 1 14 . 1 1 31 31 SER CB C 31 62.268 62.268 62.290 -0.022 25576 7282 1 14 . 1 1 31 31 SER H H 31 7.997 7.997 7.758 0.239 25576 7283 1 14 . 1 1 32 32 SER N N 32 117.489 117.489 116.750 0.739 25576 7284 1 14 . 1 1 32 32 SER HA H 32 4.380 4.380 4.362 0.018 25576 7285 1 14 . 1 1 32 32 SER C C 32 173.550 173.550 174.481 -0.931 25576 7286 1 14 . 1 1 32 32 SER CA C 32 58.590 58.590 58.501 0.089 25576 7287 1 14 . 1 1 32 32 SER CB C 32 64.008 64.008 63.446 0.562 25576 7288 1 14 . 1 1 32 32 SER H H 32 8.081 8.081 8.047 0.034 25576 7289 1 14 . 1 1 33 33 GLU N N 33 121.738 121.738 128.996 -7.258 25576 7290 1 14 . 1 1 33 33 GLU HA H 33 5.131 5.131 5.139 -0.008 25576 7291 1 14 . 1 1 33 33 GLU C C 33 175.317 175.317 175.901 -0.584 25576 7292 1 14 . 1 1 33 33 GLU CA C 33 55.212 55.212 55.618 -0.406 25576 7293 1 14 . 1 1 33 33 GLU CB C 33 32.596 32.596 30.327 2.269 25576 7294 1 14 . 1 1 33 33 GLU H H 33 8.616 8.616 8.558 0.058 25576 7295 1 14 . 1 1 34 34 ILE N N 34 124.389 124.389 124.953 -0.564 25576 7296 1 14 . 1 1 34 34 ILE HA H 34 4.359 4.359 4.474 -0.115 25576 7297 1 14 . 1 1 34 34 ILE C C 34 174.612 174.612 174.997 -0.385 25576 7298 1 14 . 1 1 34 34 ILE CA C 34 60.266 60.266 59.478 0.788 25576 7299 1 14 . 1 1 34 34 ILE CB C 34 40.906 40.906 39.853 1.052 25576 7300 1 14 . 1 1 34 34 ILE H H 34 8.670 8.670 8.451 0.219 25576 7301 1 14 . 1 1 35 35 HIS N N 35 125.683 125.683 124.514 1.169 25576 7302 1 14 . 1 1 35 35 HIS HA H 35 5.597 5.597 4.861 0.736 25576 7303 1 14 . 1 1 35 35 HIS C C 35 174.902 174.902 174.664 0.238 25576 7304 1 14 . 1 1 35 35 HIS CA C 35 54.765 54.765 54.151 0.614 25576 7305 1 14 . 1 1 35 35 HIS CB C 35 32.411 32.411 32.901 -0.490 25576 7306 1 14 . 1 1 35 35 HIS H H 35 8.699 8.699 8.620 0.079 25576 7307 1 14 . 1 1 36 36 PHE N N 36 119.920 119.920 120.999 -1.079 25576 7308 1 14 . 1 1 36 36 PHE HA H 36 4.949 4.949 4.987 -0.038 25576 7309 1 14 . 1 1 36 36 PHE C C 36 174.000 174.000 173.287 0.713 25576 7310 1 14 . 1 1 36 36 PHE CA C 36 57.003 57.003 56.112 0.891 25576 7311 1 14 . 1 1 36 36 PHE CB C 36 44.431 44.431 40.901 3.530 25576 7312 1 14 . 1 1 36 36 PHE H H 36 9.103 9.103 8.158 0.945 25576 7313 1 14 . 1 1 37 37 LYS N N 37 123.747 123.747 121.099 2.648 25576 7314 1 14 . 1 1 37 37 LYS HA H 37 4.294 4.294 5.160 -0.866 25576 7315 1 14 . 1 1 37 37 LYS C C 37 176.145 176.145 174.719 1.426 25576 7316 1 14 . 1 1 37 37 LYS CA C 37 55.448 55.448 55.564 -0.116 25576 7317 1 14 . 1 1 37 37 LYS CB C 37 33.467 33.467 34.273 -0.806 25576 7318 1 14 . 1 1 37 37 LYS H H 37 8.787 8.787 8.360 0.427 25576 7319 1 14 . 1 1 38 38 VAL N N 38 119.736 119.736 117.163 2.573 25576 7320 1 14 . 1 1 38 38 VAL HA H 38 4.957 4.957 4.576 0.381 25576 7321 1 14 . 1 1 38 38 VAL C C 38 174.245 174.245 174.232 0.013 25576 7322 1 14 . 1 1 38 38 VAL CA C 38 58.935 58.935 59.032 -0.097 25576 7323 1 14 . 1 1 38 38 VAL CB C 38 35.429 35.429 35.673 -0.244 25576 7324 1 14 . 1 1 38 38 VAL H H 38 9.138 9.138 8.752 0.386 25576 7325 1 14 . 1 1 39 39 LYS N N 39 122.359 122.359 120.710 1.649 25576 7326 1 14 . 1 1 39 39 LYS HA H 39 3.837 3.837 4.508 -0.671 25576 7327 1 14 . 1 1 39 39 LYS C C 39 179.383 179.383 177.830 1.553 25576 7328 1 14 . 1 1 39 39 LYS CA C 39 56.814 56.814 55.965 0.849 25576 7329 1 14 . 1 1 39 39 LYS CB C 39 30.576 30.576 33.905 -3.329 25576 7330 1 14 . 1 1 39 39 LYS H H 39 8.611 8.611 8.369 0.242 25576 7331 1 14 . 1 1 40 40 MET N N 40 119.929 119.929 120.631 -0.702 25576 7332 1 14 . 1 1 40 40 MET HA H 40 4.103 4.103 4.300 -0.197 25576 7333 1 14 . 1 1 40 40 MET C C 40 176.546 176.546 177.263 -0.717 25576 7334 1 14 . 1 1 40 40 MET CA C 40 57.320 57.320 59.176 -1.856 25576 7335 1 14 . 1 1 40 40 MET CB C 40 30.903 30.903 32.566 -1.663 25576 7336 1 14 . 1 1 40 40 MET H H 40 8.562 8.562 9.208 -0.646 25576 7337 1 14 . 1 1 41 41 THR N N 41 100.263 100.263 109.042 -8.779 25576 7338 1 14 . 1 1 41 41 THR HA H 41 4.349 4.349 4.363 -0.014 25576 7339 1 14 . 1 1 41 41 THR C C 41 174.506 174.506 174.241 0.265 25576 7340 1 14 . 1 1 41 41 THR CA C 41 60.147 60.147 61.268 -1.121 25576 7341 1 14 . 1 1 41 41 THR CB C 41 68.836 68.836 68.283 0.553 25576 7342 1 14 . 1 1 41 41 THR H H 41 6.974 6.974 8.015 -1.041 25576 7343 1 14 . 1 1 42 42 THR N N 42 120.616 120.616 116.982 3.634 25576 7344 1 14 . 1 1 42 42 THR HA H 42 4.187 4.187 4.354 -0.167 25576 7345 1 14 . 1 1 42 42 THR C C 42 174.052 174.052 173.523 0.529 25576 7346 1 14 . 1 1 42 42 THR CA C 42 63.153 63.153 61.021 2.132 25576 7347 1 14 . 1 1 42 42 THR CB C 42 69.645 69.645 70.411 -0.766 25576 7348 1 14 . 1 1 42 42 THR H H 42 7.192 7.192 7.189 0.003 25576 7349 1 14 . 1 1 43 43 HIS N N 43 126.236 126.236 122.142 4.094 25576 7350 1 14 . 1 1 43 43 HIS HA H 43 4.411 4.411 4.527 -0.116 25576 7351 1 14 . 1 1 43 43 HIS C C 43 178.431 178.431 176.513 1.918 25576 7352 1 14 . 1 1 43 43 HIS CA C 43 57.366 57.366 56.018 1.348 25576 7353 1 14 . 1 1 43 43 HIS CB C 43 30.155 30.155 30.614 -0.459 25576 7354 1 14 . 1 1 43 43 HIS H H 43 8.807 8.807 8.526 0.281 25576 7355 1 14 . 1 1 44 44 LEU N N 44 124.757 124.757 124.939 -0.182 25576 7356 1 14 . 1 1 44 44 LEU HA H 44 3.983 3.983 4.149 -0.166 25576 7357 1 14 . 1 1 44 44 LEU C C 44 177.051 177.051 177.922 -0.871 25576 7358 1 14 . 1 1 44 44 LEU CA C 44 58.790 58.790 55.596 3.194 25576 7359 1 14 . 1 1 44 44 LEU CB C 44 41.240 41.240 41.112 0.128 25576 7360 1 14 . 1 1 44 44 LEU H H 44 9.349 9.349 9.009 0.340 25576 7361 1 14 . 1 1 45 45 LYS N N 45 121.424 121.424 119.114 2.310 25576 7362 1 14 . 1 1 45 45 LYS HA H 45 3.584 3.584 3.800 -0.216 25576 7363 1 14 . 1 1 45 45 LYS C C 45 176.867 176.867 177.984 -1.117 25576 7364 1 14 . 1 1 45 45 LYS CA C 45 60.662 60.662 59.321 1.341 25576 7365 1 14 . 1 1 45 45 LYS CB C 45 33.389 33.389 31.086 2.303 25576 7366 1 14 . 1 1 45 45 LYS H H 45 8.543 8.543 7.846 0.697 25576 7367 1 14 . 1 1 46 46 LYS N N 46 114.033 114.033 118.531 -4.498 25576 7368 1 14 . 1 1 46 46 LYS HA H 46 4.087 4.087 4.169 -0.082 25576 7369 1 14 . 1 1 46 46 LYS C C 46 178.977 178.977 178.788 0.189 25576 7370 1 14 . 1 1 46 46 LYS CA C 46 58.615 58.615 58.657 -0.042 25576 7371 1 14 . 1 1 46 46 LYS CB C 46 31.643 31.643 31.961 -0.318 25576 7372 1 14 . 1 1 46 46 LYS H H 46 7.517 7.517 7.572 -0.055 25576 7373 1 14 . 1 1 47 47 LEU N N 47 121.871 121.871 121.588 0.283 25576 7374 1 14 . 1 1 47 47 LEU HA H 47 3.660 3.660 3.788 -0.128 25576 7375 1 14 . 1 1 47 47 LEU C C 47 177.575 177.575 178.093 -0.518 25576 7376 1 14 . 1 1 47 47 LEU CA C 47 58.514 58.514 57.469 1.045 25576 7377 1 14 . 1 1 47 47 LEU CB C 47 41.890 41.890 41.713 0.177 25576 7378 1 14 . 1 1 47 47 LEU H H 47 6.739 6.739 7.302 -0.563 25576 7379 1 14 . 1 1 48 48 LYS N N 48 118.246 118.246 119.157 -0.911 25576 7380 1 14 . 1 1 48 48 LYS HA H 48 3.081 3.081 4.081 -1.000 25576 7381 1 14 . 1 1 48 48 LYS C C 48 178.700 178.700 179.015 -0.315 25576 7382 1 14 . 1 1 48 48 LYS CA C 48 59.712 59.712 60.350 -0.638 25576 7383 1 14 . 1 1 48 48 LYS CB C 48 32.411 32.411 31.938 0.473 25576 7384 1 14 . 1 1 48 48 LYS H H 48 7.556 7.556 8.233 -0.677 25576 7385 1 14 . 1 1 49 49 GLU N N 49 118.092 118.092 117.444 0.648 25576 7386 1 14 . 1 1 49 49 GLU HA H 49 3.973 3.973 3.875 0.098 25576 7387 1 14 . 1 1 49 49 GLU C C 49 179.453 179.453 178.561 0.892 25576 7388 1 14 . 1 1 49 49 GLU CA C 49 59.627 59.627 59.057 0.570 25576 7389 1 14 . 1 1 49 49 GLU CB C 49 30.120 30.120 28.770 1.350 25576 7390 1 14 . 1 1 49 49 GLU H H 49 8.500 8.500 8.127 0.373 25576 7391 1 14 . 1 1 50 50 SER N N 50 115.646 115.646 117.053 -1.407 25576 7392 1 14 . 1 1 50 50 SER HA H 50 4.260 4.260 4.155 0.105 25576 7393 1 14 . 1 1 50 50 SER C C 50 177.171 177.171 176.584 0.587 25576 7394 1 14 . 1 1 50 50 SER CA C 50 61.947 61.947 60.950 0.997 25576 7395 1 14 . 1 1 50 50 SER CB C 50 63.258 63.258 62.940 0.318 25576 7396 1 14 . 1 1 50 50 SER H H 50 7.966 7.966 7.735 0.231 25576 7397 1 14 . 1 1 51 51 TYR N N 51 122.610 122.610 119.687 2.923 25576 7398 1 14 . 1 1 51 51 TYR HA H 51 4.026 4.026 4.472 -0.446 25576 7399 1 14 . 1 1 51 51 TYR C C 51 177.374 177.374 177.255 0.119 25576 7400 1 14 . 1 1 51 51 TYR CA C 51 63.608 63.608 59.877 3.731 25576 7401 1 14 . 1 1 51 51 TYR CB C 51 38.618 38.618 37.478 1.140 25576 7402 1 14 . 1 1 51 51 TYR H H 51 8.833 8.833 8.021 0.812 25576 7403 1 14 . 1 1 52 52 CYS N N 52 117.395 117.395 119.593 -2.198 25576 7404 1 14 . 1 1 52 52 CYS HA H 52 3.915 3.915 3.739 0.176 25576 7405 1 14 . 1 1 52 52 CYS C C 52 177.182 177.182 176.559 0.623 25576 7406 1 14 . 1 1 52 52 CYS CA C 52 65.108 65.108 64.402 0.706 25576 7407 1 14 . 1 1 52 52 CYS CB C 52 26.151 26.151 27.202 -1.051 25576 7408 1 14 . 1 1 52 52 CYS H H 52 8.676 8.676 7.407 1.269 25576 7409 1 14 . 1 1 53 53 GLN N N 53 119.196 119.196 118.935 0.261 25576 7410 1 14 . 1 1 53 53 GLN HA H 53 4.109 4.109 3.985 0.124 25576 7411 1 14 . 1 1 53 53 GLN C C 53 179.105 179.105 178.165 0.940 25576 7412 1 14 . 1 1 53 53 GLN CA C 53 58.973 58.973 58.292 0.681 25576 7413 1 14 . 1 1 53 53 GLN CB C 53 28.211 28.211 27.968 0.243 25576 7414 1 14 . 1 1 53 53 GLN H H 53 8.322 8.322 8.059 0.263 25576 7415 1 14 . 1 1 54 54 ARG N N 54 120.139 120.139 119.658 0.481 25576 7416 1 14 . 1 1 54 54 ARG HA H 54 4.018 4.018 4.134 -0.116 25576 7417 1 14 . 1 1 54 54 ARG C C 54 178.300 178.300 178.494 -0.194 25576 7418 1 14 . 1 1 54 54 ARG CA C 54 58.552 58.552 58.286 0.266 25576 7419 1 14 . 1 1 54 54 ARG CB C 54 29.669 29.669 29.827 -0.158 25576 7420 1 14 . 1 1 54 54 ARG H H 54 8.011 8.011 7.730 0.281 25576 7421 1 14 . 1 1 55 55 GLN N N 55 114.160 114.160 116.378 -2.218 25576 7422 1 14 . 1 1 55 55 GLN HA H 55 4.251 4.251 4.352 -0.101 25576 7423 1 14 . 1 1 55 55 GLN C C 55 176.410 176.410 177.031 -0.621 25576 7424 1 14 . 1 1 55 55 GLN CA C 55 55.119 55.119 56.821 -1.702 25576 7425 1 14 . 1 1 55 55 GLN CB C 55 29.424 29.424 29.619 -0.195 25576 7426 1 14 . 1 1 55 55 GLN H H 55 7.806 7.806 7.675 0.131 25576 7427 1 14 . 1 1 56 56 GLY N N 56 109.749 109.749 107.775 1.974 25576 7428 1 14 . 1 1 56 56 GLY C C 56 174.908 174.908 174.113 0.795 25576 7429 1 14 . 1 1 56 56 GLY CA C 56 46.658 46.658 45.327 1.331 25576 7430 1 14 . 1 1 56 56 GLY H H 56 7.932 7.932 7.790 0.142 25576 7431 1 14 . 1 1 57 57 VAL N N 57 111.990 111.990 116.453 -4.463 25576 7432 1 14 . 1 1 57 57 VAL HA H 57 4.941 4.941 4.719 0.222 25576 7433 1 14 . 1 1 57 57 VAL CA C 57 57.534 57.534 57.699 -0.165 25576 7434 1 14 . 1 1 57 57 VAL CB C 57 32.697 32.697 33.398 -0.701 25576 7435 1 14 . 1 1 57 57 VAL H H 57 7.651 7.651 7.553 0.098 25576 7436 1 14 . 1 1 58 58 PRO HA H 58 4.528 4.528 4.645 -0.117 25576 7437 1 14 . 1 1 58 58 PRO C C 58 179.169 179.169 177.556 1.613 25576 7438 1 14 . 1 1 58 58 PRO CA C 58 62.211 62.211 62.182 0.028 25576 7439 1 14 . 1 1 58 58 PRO CB C 58 32.543 32.543 32.692 -0.149 25576 7440 1 14 . 1 1 59 59 MET N N 59 124.522 124.522 119.306 5.216 25576 7441 1 14 . 1 1 59 59 MET HA H 59 4.703 4.703 4.192 0.511 25576 7442 1 14 . 1 1 59 59 MET C C 59 177.459 177.459 175.773 1.686 25576 7443 1 14 . 1 1 59 59 MET CA C 59 58.247 58.247 57.806 0.441 25576 7444 1 14 . 1 1 59 59 MET CB C 59 32.795 32.795 32.408 0.387 25576 7445 1 14 . 1 1 59 59 MET H H 59 9.002 9.002 8.547 0.455 25576 7446 1 14 . 1 1 60 60 ASN N N 60 113.185 113.185 113.137 0.048 25576 7447 1 14 . 1 1 60 60 ASN HA H 60 4.673 4.673 4.653 0.020 25576 7448 1 14 . 1 1 60 60 ASN C C 60 175.674 175.674 176.104 -0.430 25576 7449 1 14 . 1 1 60 60 ASN CA C 60 53.935 53.935 53.725 0.210 25576 7450 1 14 . 1 1 60 60 ASN CB C 60 37.217 37.217 37.592 -0.375 25576 7451 1 14 . 1 1 60 60 ASN H H 60 8.424 8.424 8.088 0.336 25576 7452 1 14 . 1 1 61 61 SER N N 61 113.092 113.092 114.483 -1.391 25576 7453 1 14 . 1 1 61 61 SER HA H 61 4.500 4.500 4.574 -0.074 25576 7454 1 14 . 1 1 61 61 SER C C 61 173.455 173.455 173.527 -0.072 25576 7455 1 14 . 1 1 61 61 SER CA C 61 59.609 59.609 60.269 -0.660 25576 7456 1 14 . 1 1 61 61 SER CB C 61 64.812 64.812 64.343 0.469 25576 7457 1 14 . 1 1 61 61 SER H H 61 7.931 7.931 7.754 0.177 25576 7458 1 14 . 1 1 62 62 LEU N N 62 120.961 120.961 117.300 3.661 25576 7459 1 14 . 1 1 62 62 LEU HA H 62 5.109 5.109 5.137 -0.028 25576 7460 1 14 . 1 1 62 62 LEU C C 62 175.588 175.588 175.714 -0.126 25576 7461 1 14 . 1 1 62 62 LEU CA C 62 53.575 53.575 53.094 0.481 25576 7462 1 14 . 1 1 62 62 LEU CB C 62 46.262 46.262 44.733 1.529 25576 7463 1 14 . 1 1 62 62 LEU H H 62 7.265 7.265 7.187 0.078 25576 7464 1 14 . 1 1 63 63 ARG N N 63 120.142 120.142 119.845 0.297 25576 7465 1 14 . 1 1 63 63 ARG HA H 63 4.668 4.668 4.408 0.260 25576 7466 1 14 . 1 1 63 63 ARG C C 63 172.784 172.784 174.977 -2.193 25576 7467 1 14 . 1 1 63 63 ARG CA C 63 54.488 54.488 54.662 -0.174 25576 7468 1 14 . 1 1 63 63 ARG CB C 63 33.111 33.111 32.218 0.893 25576 7469 1 14 . 1 1 63 63 ARG H H 63 8.993 8.993 8.998 -0.005 25576 7470 1 14 . 1 1 64 64 PHE N N 64 122.537 122.537 123.153 -0.616 25576 7471 1 14 . 1 1 64 64 PHE HA H 64 4.959 4.959 5.522 -0.563 25576 7472 1 14 . 1 1 64 64 PHE C C 64 174.150 174.150 174.324 -0.174 25576 7473 1 14 . 1 1 64 64 PHE CA C 64 56.347 56.347 54.777 1.570 25576 7474 1 14 . 1 1 64 64 PHE CB C 64 40.762 40.762 39.216 1.546 25576 7475 1 14 . 1 1 64 64 PHE H H 64 8.923 8.923 8.113 0.810 25576 7476 1 14 . 1 1 65 65 LEU N N 65 124.212 124.212 119.864 4.348 25576 7477 1 14 . 1 1 65 65 LEU HA H 65 5.290 5.290 5.720 -0.430 25576 7478 1 14 . 1 1 65 65 LEU C C 65 175.903 175.903 174.416 1.487 25576 7479 1 14 . 1 1 65 65 LEU CA C 65 53.729 53.729 53.329 0.400 25576 7480 1 14 . 1 1 65 65 LEU CB C 65 46.385 46.385 46.243 0.142 25576 7481 1 14 . 1 1 65 65 LEU H H 65 9.738 9.738 9.267 0.471 25576 7482 1 14 . 1 1 66 66 PHE N N 66 119.384 119.384 121.334 -1.950 25576 7483 1 14 . 1 1 66 66 PHE HA H 66 5.202 5.202 4.986 0.216 25576 7484 1 14 . 1 1 66 66 PHE C C 66 175.017 175.017 174.761 0.256 25576 7485 1 14 . 1 1 66 66 PHE CA C 66 56.291 56.291 57.352 -1.061 25576 7486 1 14 . 1 1 66 66 PHE CB C 66 41.700 41.700 42.589 -0.889 25576 7487 1 14 . 1 1 66 66 PHE H H 66 8.968 8.968 9.072 -0.104 25576 7488 1 14 . 1 1 67 67 GLU N N 67 129.196 129.196 125.148 4.048 25576 7489 1 14 . 1 1 67 67 GLU HA H 67 3.540 3.540 3.605 -0.065 25576 7490 1 14 . 1 1 67 67 GLU C C 67 176.778 176.778 176.082 0.696 25576 7491 1 14 . 1 1 67 67 GLU CA C 67 56.769 56.769 56.814 -0.045 25576 7492 1 14 . 1 1 67 67 GLU CB C 67 26.897 26.897 27.345 -0.448 25576 7493 1 14 . 1 1 67 67 GLU H H 67 9.381 9.381 8.758 0.623 25576 7494 1 14 . 1 1 68 68 GLY N N 68 103.263 103.263 104.795 -1.532 25576 7495 1 14 . 1 1 68 68 GLY C C 68 173.651 173.651 173.241 0.410 25576 7496 1 14 . 1 1 68 68 GLY CA C 68 45.476 45.476 44.894 0.582 25576 7497 1 14 . 1 1 68 68 GLY H H 68 8.858 8.858 8.268 0.590 25576 7498 1 14 . 1 1 69 69 GLN N N 69 120.732 120.732 119.112 1.620 25576 7499 1 14 . 1 1 69 69 GLN HA H 69 4.589 4.589 4.714 -0.125 25576 7500 1 14 . 1 1 69 69 GLN C C 69 175.204 175.204 174.750 0.454 25576 7501 1 14 . 1 1 69 69 GLN CA C 69 53.776 53.776 54.116 -0.340 25576 7502 1 14 . 1 1 69 69 GLN CB C 69 30.660 30.660 31.738 -1.078 25576 7503 1 14 . 1 1 69 69 GLN H H 69 7.996 7.996 8.071 -0.075 25576 7504 1 14 . 1 1 70 70 ARG N N 70 125.102 125.102 124.619 0.483 25576 7505 1 14 . 1 1 70 70 ARG HA H 70 4.395 4.395 4.794 -0.399 25576 7506 1 14 . 1 1 70 70 ARG C C 70 177.004 177.004 175.532 1.472 25576 7507 1 14 . 1 1 70 70 ARG CA C 70 57.305 57.305 55.591 1.714 25576 7508 1 14 . 1 1 70 70 ARG CB C 70 30.511 30.511 31.008 -0.497 25576 7509 1 14 . 1 1 70 70 ARG H H 70 8.823 8.823 8.803 0.020 25576 7510 1 14 . 1 1 71 71 ILE N N 71 126.949 126.949 122.298 4.651 25576 7511 1 14 . 1 1 71 71 ILE HA H 71 4.477 4.477 4.546 -0.069 25576 7512 1 14 . 1 1 71 71 ILE C C 71 176.145 176.145 174.879 1.266 25576 7513 1 14 . 1 1 71 71 ILE CA C 71 61.337 61.337 59.142 2.195 25576 7514 1 14 . 1 1 71 71 ILE CB C 71 39.067 39.067 36.639 2.428 25576 7515 1 14 . 1 1 71 71 ILE H H 71 9.020 9.020 8.558 0.462 25576 7516 1 14 . 1 1 72 72 ALA N N 72 139.307 139.307 128.742 10.565 25576 7517 1 14 . 1 1 72 72 ALA HA H 72 4.334 4.334 4.388 -0.054 25576 7518 1 14 . 1 1 72 72 ALA C C 72 177.973 177.973 178.044 -0.071 25576 7519 1 14 . 1 1 72 72 ALA CA C 72 50.785 50.785 50.281 0.504 25576 7520 1 14 . 1 1 72 72 ALA CB C 72 18.407 18.407 20.561 -2.154 25576 7521 1 14 . 1 1 72 72 ALA H H 72 10.910 10.910 7.855 3.055 25576 7522 1 14 . 1 1 73 73 ASP N N 73 120.493 120.493 118.172 2.321 25576 7523 1 14 . 1 1 73 73 ASP HA H 73 3.823 3.823 4.241 -0.418 25576 7524 1 14 . 1 1 73 73 ASP C C 73 176.104 176.104 176.051 0.053 25576 7525 1 14 . 1 1 73 73 ASP CA C 73 57.113 57.113 56.492 0.621 25576 7526 1 14 . 1 1 73 73 ASP CB C 73 40.032 40.032 40.579 -0.547 25576 7527 1 14 . 1 1 73 73 ASP H H 73 8.770 8.770 8.592 0.178 25576 7528 1 14 . 1 1 74 74 ASN N N 74 109.526 109.526 115.740 -6.214 25576 7529 1 14 . 1 1 74 74 ASN HA H 74 4.245 4.245 4.002 0.243 25576 7530 1 14 . 1 1 74 74 ASN C C 74 176.050 176.050 174.284 1.766 25576 7531 1 14 . 1 1 74 74 ASN CA C 74 52.073 52.073 52.429 -0.356 25576 7532 1 14 . 1 1 74 74 ASN CB C 74 37.343 37.343 38.450 -1.107 25576 7533 1 14 . 1 1 74 74 ASN H H 74 7.738 7.738 8.034 -0.296 25576 7534 1 14 . 1 1 75 75 HIS N N 75 119.821 119.821 120.131 -0.310 25576 7535 1 14 . 1 1 75 75 HIS HA H 75 4.908 4.908 4.543 0.365 25576 7536 1 14 . 1 1 75 75 HIS C C 75 175.680 175.680 174.175 1.505 25576 7537 1 14 . 1 1 75 75 HIS CA C 75 56.606 56.606 56.138 0.468 25576 7538 1 14 . 1 1 75 75 HIS CB C 75 33.549 33.549 31.141 2.408 25576 7539 1 14 . 1 1 75 75 HIS H H 75 7.149 7.149 7.465 -0.316 25576 7540 1 14 . 1 1 76 76 THR N N 76 108.304 108.304 114.311 -6.007 25576 7541 1 14 . 1 1 76 76 THR HA H 76 5.197 5.197 5.136 0.061 25576 7542 1 14 . 1 1 76 76 THR CA C 76 57.594 57.594 58.293 -0.699 25576 7543 1 14 . 1 1 76 76 THR CB C 76 70.033 70.033 70.594 -0.561 25576 7544 1 14 . 1 1 76 76 THR H H 76 7.303 7.303 8.312 -1.009 25576 7545 1 14 . 1 1 77 77 PRO HA H 77 4.241 4.241 4.188 0.053 25576 7546 1 14 . 1 1 77 77 PRO C C 77 178.445 178.445 178.070 0.375 25576 7547 1 14 . 1 1 77 77 PRO CA C 77 65.724 65.724 65.245 0.479 25576 7548 1 14 . 1 1 77 77 PRO CB C 77 32.479 32.479 32.002 0.477 25576 7549 1 14 . 1 1 78 78 LYS N N 78 115.329 115.329 116.397 -1.068 25576 7550 1 14 . 1 1 78 78 LYS HA H 78 3.956 3.956 4.047 -0.091 25576 7551 1 14 . 1 1 78 78 LYS C C 78 179.328 179.328 178.782 0.546 25576 7552 1 14 . 1 1 78 78 LYS CA C 78 59.012 59.012 59.162 -0.150 25576 7553 1 14 . 1 1 78 78 LYS CB C 78 32.845 32.845 31.636 1.209 25576 7554 1 14 . 1 1 78 78 LYS H H 78 8.073 8.073 7.696 0.377 25576 7555 1 14 . 1 1 79 79 GLU N N 79 120.840 120.840 119.446 1.394 25576 7556 1 14 . 1 1 79 79 GLU HA H 79 3.957 3.957 4.129 -0.172 25576 7557 1 14 . 1 1 79 79 GLU C C 79 178.566 178.566 178.510 0.056 25576 7558 1 14 . 1 1 79 79 GLU CA C 79 58.790 58.790 58.320 0.470 25576 7559 1 14 . 1 1 79 79 GLU CB C 79 30.290 30.290 29.307 0.983 25576 7560 1 14 . 1 1 79 79 GLU H H 79 7.978 7.978 7.579 0.399 25576 7561 1 14 . 1 1 80 80 LEU N N 80 115.072 115.072 117.471 -2.399 25576 7562 1 14 . 1 1 80 80 LEU HA H 80 4.222 4.222 4.312 -0.090 25576 7563 1 14 . 1 1 80 80 LEU C C 80 176.602 176.602 177.520 -0.918 25576 7564 1 14 . 1 1 80 80 LEU CA C 80 54.613 54.613 55.203 -0.590 25576 7565 1 14 . 1 1 80 80 LEU CB C 80 42.453 42.453 42.163 0.290 25576 7566 1 14 . 1 1 80 80 LEU H H 80 7.486 7.486 7.961 -0.475 25576 7567 1 14 . 1 1 81 81 GLY N N 81 108.019 108.019 106.666 1.353 25576 7568 1 14 . 1 1 81 81 GLY C C 81 175.390 175.390 174.154 1.236 25576 7569 1 14 . 1 1 81 81 GLY CA C 81 46.622 46.622 45.049 1.573 25576 7570 1 14 . 1 1 81 81 GLY H H 81 7.644 7.644 7.324 0.320 25576 7571 1 14 . 1 1 82 82 MET N N 82 117.606 117.606 118.412 -0.806 25576 7572 1 14 . 1 1 82 82 MET HA H 82 4.185 4.185 4.921 -0.736 25576 7573 1 14 . 1 1 82 82 MET C C 82 174.482 174.482 175.246 -0.764 25576 7574 1 14 . 1 1 82 82 MET CA C 82 57.019 57.019 54.940 2.079 25576 7575 1 14 . 1 1 82 82 MET CB C 82 34.089 34.089 35.605 -1.516 25576 7576 1 14 . 1 1 82 82 MET H H 82 7.628 7.628 8.144 -0.516 25576 7577 1 14 . 1 1 83 83 GLU N N 83 120.980 120.980 118.111 2.869 25576 7578 1 14 . 1 1 83 83 GLU HA H 83 4.457 4.457 4.793 -0.336 25576 7579 1 14 . 1 1 83 83 GLU C C 83 174.297 174.297 175.602 -1.305 25576 7580 1 14 . 1 1 83 83 GLU CA C 83 53.875 53.875 54.093 -0.218 25576 7581 1 14 . 1 1 83 83 GLU CB C 83 33.937 33.937 32.506 1.431 25576 7582 1 14 . 1 1 83 83 GLU H H 83 9.314 9.314 8.313 1.001 25576 7583 1 14 . 1 1 84 84 GLU N N 84 119.063 119.063 120.690 -1.627 25576 7584 1 14 . 1 1 84 84 GLU HA H 84 4.199 4.199 4.183 0.016 25576 7585 1 14 . 1 1 84 84 GLU C C 84 177.527 177.527 176.668 0.859 25576 7586 1 14 . 1 1 84 84 GLU CA C 84 58.549 58.549 56.448 2.101 25576 7587 1 14 . 1 1 84 84 GLU CB C 84 29.993 29.993 29.796 0.198 25576 7588 1 14 . 1 1 84 84 GLU H H 84 8.341 8.341 8.407 -0.066 25576 7589 1 14 . 1 1 85 85 GLU N N 85 118.840 118.840 119.682 -0.842 25576 7590 1 14 . 1 1 85 85 GLU HA H 85 3.645 3.645 3.847 -0.202 25576 7591 1 14 . 1 1 85 85 GLU C C 85 175.047 175.047 174.968 0.079 25576 7592 1 14 . 1 1 85 85 GLU CA C 85 58.846 58.846 58.119 0.727 25576 7593 1 14 . 1 1 85 85 GLU CB C 85 26.691 26.691 29.089 -2.398 25576 7594 1 14 . 1 1 85 85 GLU H H 85 9.357 9.357 9.177 0.180 25576 7595 1 14 . 1 1 86 86 ASP N N 86 120.217 120.217 118.787 1.430 25576 7596 1 14 . 1 1 86 86 ASP HA H 86 4.880 4.880 4.644 0.236 25576 7597 1 14 . 1 1 86 86 ASP C C 86 174.417 174.417 175.198 -0.781 25576 7598 1 14 . 1 1 86 86 ASP CA C 86 55.822 55.822 55.652 0.170 25576 7599 1 14 . 1 1 86 86 ASP CB C 86 41.926 41.926 42.485 -0.559 25576 7600 1 14 . 1 1 86 86 ASP H H 86 8.155 8.155 7.563 0.592 25576 7601 1 14 . 1 1 87 87 VAL N N 87 116.641 116.641 119.894 -3.253 25576 7602 1 14 . 1 1 87 87 VAL HA H 87 4.924 4.924 5.100 -0.176 25576 7603 1 14 . 1 1 87 87 VAL C C 87 176.064 176.064 174.590 1.474 25576 7604 1 14 . 1 1 87 87 VAL CA C 87 61.311 61.311 60.301 1.010 25576 7605 1 14 . 1 1 87 87 VAL CB C 87 35.067 35.067 35.303 -0.236 25576 7606 1 14 . 1 1 87 87 VAL H H 87 8.191 8.191 8.295 -0.104 25576 7607 1 14 . 1 1 88 88 ILE N N 88 127.353 127.353 126.662 0.691 25576 7608 1 14 . 1 1 88 88 ILE HA H 88 4.845 4.845 4.630 0.215 25576 7609 1 14 . 1 1 88 88 ILE C C 88 174.967 174.967 173.943 1.024 25576 7610 1 14 . 1 1 88 88 ILE CA C 88 59.381 59.381 59.631 -0.250 25576 7611 1 14 . 1 1 88 88 ILE CB C 88 40.984 40.984 41.028 -0.044 25576 7612 1 14 . 1 1 88 88 ILE H H 88 9.165 9.165 8.931 0.234 25576 7613 1 14 . 1 1 89 89 GLU N N 89 125.851 125.851 123.399 2.452 25576 7614 1 14 . 1 1 89 89 GLU HA H 89 4.820 4.820 4.656 0.164 25576 7615 1 14 . 1 1 89 89 GLU C C 89 175.262 175.262 174.820 0.442 25576 7616 1 14 . 1 1 89 89 GLU CA C 89 55.158 55.158 54.882 0.276 25576 7617 1 14 . 1 1 89 89 GLU CB C 89 33.359 33.359 32.021 1.338 25576 7618 1 14 . 1 1 89 89 GLU H H 89 8.858 8.858 8.736 0.122 25576 7619 1 14 . 1 1 90 90 VAL N N 90 119.735 119.735 125.808 -6.073 25576 7620 1 14 . 1 1 90 90 VAL HA H 90 4.817 4.817 5.366 -0.549 25576 7621 1 14 . 1 1 90 90 VAL C C 90 174.870 174.870 174.597 0.273 25576 7622 1 14 . 1 1 90 90 VAL CA C 90 59.412 59.412 60.438 -1.026 25576 7623 1 14 . 1 1 90 90 VAL CB C 90 34.031 34.031 34.686 -0.655 25576 7624 1 14 . 1 1 90 90 VAL H H 90 7.770 7.770 8.108 -0.338 25576 7625 1 14 . 1 1 91 91 TYR N N 91 124.243 124.243 123.376 0.867 25576 7626 1 14 . 1 1 91 91 TYR HA H 91 4.621 4.621 4.805 -0.184 25576 7627 1 14 . 1 1 91 91 TYR C C 91 174.588 174.588 174.724 -0.136 25576 7628 1 14 . 1 1 91 91 TYR CA C 91 56.018 56.018 56.976 -0.958 25576 7629 1 14 . 1 1 91 91 TYR CB C 91 42.641 42.641 42.515 0.126 25576 7630 1 14 . 1 1 91 91 TYR H H 91 8.540 8.540 9.035 -0.495 25576 7631 1 14 . 1 1 92 92 GLN N N 92 120.784 120.784 119.462 1.322 25576 7632 1 14 . 1 1 92 92 GLN HA H 92 4.529 4.529 4.705 -0.176 25576 7633 1 14 . 1 1 92 92 GLN C C 92 176.679 176.679 175.678 1.001 25576 7634 1 14 . 1 1 92 92 GLN CA C 92 56.135 56.135 55.197 0.938 25576 7635 1 14 . 1 1 92 92 GLN CB C 92 29.342 29.342 30.973 -1.631 25576 7636 1 14 . 1 1 92 92 GLN H H 92 8.726 8.726 8.821 -0.095 25576 7637 1 14 . 1 1 93 93 GLU N N 93 125.131 125.131 122.325 2.806 25576 7638 1 14 . 1 1 93 93 GLU HA H 93 4.364 4.364 4.591 -0.227 25576 7639 1 14 . 1 1 93 93 GLU C C 93 176.244 176.244 176.553 -0.309 25576 7640 1 14 . 1 1 93 93 GLU CA C 93 56.111 56.111 55.699 0.412 25576 7641 1 14 . 1 1 93 93 GLU CB C 93 30.517 30.517 30.578 -0.060 25576 7642 1 14 . 1 1 93 93 GLU H H 93 8.419 8.419 9.014 -0.595 25576 7643 1 14 . 1 1 94 94 GLN N N 94 122.912 122.912 120.755 2.157 25576 7644 1 14 . 1 1 94 94 GLN HA H 94 4.439 4.439 4.256 0.183 25576 7645 1 14 . 1 1 94 94 GLN C C 94 176.135 176.135 176.303 -0.168 25576 7646 1 14 . 1 1 94 94 GLN CA C 94 55.585 55.585 56.627 -1.042 25576 7647 1 14 . 1 1 94 94 GLN CB C 94 29.513 29.513 29.296 0.217 25576 7648 1 14 . 1 1 94 94 GLN H H 94 8.780 8.780 8.082 0.698 25576 7649 1 14 . 1 1 95 95 THR N N 95 116.094 116.094 112.578 3.516 25576 7650 1 14 . 1 1 95 95 THR HA H 95 4.294 4.294 4.544 -0.250 25576 7651 1 14 . 1 1 95 95 THR C C 95 175.136 175.136 173.747 1.389 25576 7652 1 14 . 1 1 95 95 THR CA C 95 61.971 61.971 61.466 0.505 25576 7653 1 14 . 1 1 95 95 THR CB C 95 69.829 69.829 69.015 0.814 25576 7654 1 14 . 1 1 95 95 THR H H 95 8.392 8.392 8.101 0.291 25576 7655 1 14 . 1 1 96 96 GLY N N 96 111.858 111.858 114.475 -2.617 25576 7656 1 14 . 1 1 96 96 GLY C C 96 173.704 173.704 174.942 -1.238 25576 7657 1 14 . 1 1 96 96 GLY CA C 96 45.424 45.424 45.082 0.342 25576 7658 1 14 . 1 1 96 96 GLY H H 96 8.508 8.508 8.690 -0.182 25576 7659 1 15 . 1 1 2 2 SER N N 2 116.367 116.367 117.448 -1.081 25576 7660 1 15 . 1 1 2 2 SER HA H 2 4.458 4.458 4.182 0.276 25576 7661 1 15 . 1 1 2 2 SER C C 2 174.579 174.579 175.336 -0.757 25576 7662 1 15 . 1 1 2 2 SER CA C 2 58.539 58.539 60.763 -2.224 25576 7663 1 15 . 1 1 2 2 SER CB C 2 63.940 63.940 63.093 0.847 25576 7664 1 15 . 1 1 2 2 SER H H 2 8.127 8.127 8.165 -0.038 25576 7665 1 15 . 1 1 3 3 ASP N N 3 122.355 122.355 119.083 3.272 25576 7666 1 15 . 1 1 3 3 ASP HA H 3 4.566 4.566 4.745 -0.179 25576 7667 1 15 . 1 1 3 3 ASP C C 3 176.445 176.445 175.377 1.068 25576 7668 1 15 . 1 1 3 3 ASP CA C 3 54.819 54.819 54.367 0.452 25576 7669 1 15 . 1 1 3 3 ASP CB C 3 40.939 40.939 41.327 -0.388 25576 7670 1 15 . 1 1 3 3 ASP H H 3 8.360 8.360 8.231 0.129 25576 7671 1 15 . 1 1 4 4 GLN N N 4 119.955 119.955 118.912 1.043 25576 7672 1 15 . 1 1 4 4 GLN HA H 4 4.262 4.262 4.372 -0.110 25576 7673 1 15 . 1 1 4 4 GLN C C 4 176.138 176.138 175.244 0.894 25576 7674 1 15 . 1 1 4 4 GLN CA C 4 55.933 55.933 55.007 0.926 25576 7675 1 15 . 1 1 4 4 GLN CB C 4 29.411 29.411 28.421 0.990 25576 7676 1 15 . 1 1 4 4 GLN H H 4 8.250 8.250 8.144 0.106 25576 7677 1 15 . 1 1 5 5 GLU N N 5 121.392 121.392 118.944 2.448 25576 7678 1 15 . 1 1 5 5 GLU HA H 5 4.203 4.203 4.206 -0.003 25576 7679 1 15 . 1 1 5 5 GLU C C 5 176.137 176.137 175.721 0.416 25576 7680 1 15 . 1 1 5 5 GLU CA C 5 56.480 56.480 55.793 0.687 25576 7681 1 15 . 1 1 5 5 GLU CB C 5 30.261 30.261 30.584 -0.323 25576 7682 1 15 . 1 1 5 5 GLU H H 5 8.292 8.292 7.944 0.348 25576 7683 1 15 . 1 1 6 6 ALA N N 6 125.339 125.339 124.815 0.524 25576 7684 1 15 . 1 1 6 6 ALA HA H 6 4.261 4.261 4.622 -0.361 25576 7685 1 15 . 1 1 6 6 ALA C C 6 177.348 177.348 176.716 0.632 25576 7686 1 15 . 1 1 6 6 ALA CA C 6 52.319 52.319 51.538 0.781 25576 7687 1 15 . 1 1 6 6 ALA CB C 6 19.120 19.120 19.911 -0.791 25576 7688 1 15 . 1 1 6 6 ALA H H 6 8.253 8.253 8.484 -0.231 25576 7689 1 15 . 1 1 7 7 LYS N N 7 122.299 122.299 123.114 -0.815 25576 7690 1 15 . 1 1 7 7 LYS HA H 7 4.573 4.573 4.805 -0.232 25576 7691 1 15 . 1 1 7 7 LYS CA C 7 54.062 54.062 53.372 0.690 25576 7692 1 15 . 1 1 7 7 LYS CB C 7 32.588 32.588 33.650 -1.062 25576 7693 1 15 . 1 1 7 7 LYS H H 7 8.302 8.302 8.886 -0.584 25576 7694 1 15 . 1 1 8 8 PRO HA H 8 4.425 4.425 4.674 -0.249 25576 7695 1 15 . 1 1 8 8 PRO C C 8 177.020 177.020 176.848 0.172 25576 7696 1 15 . 1 1 8 8 PRO CA C 8 63.029 63.029 62.479 0.550 25576 7697 1 15 . 1 1 8 8 PRO CB C 8 32.158 32.158 32.708 -0.550 25576 7698 1 15 . 1 1 9 9 SER N N 9 116.888 116.888 119.849 -2.961 25576 7699 1 15 . 1 1 9 9 SER HA H 9 4.479 4.479 4.461 0.018 25576 7700 1 15 . 1 1 9 9 SER C C 9 174.261 174.261 174.847 -0.586 25576 7701 1 15 . 1 1 9 9 SER CA C 9 58.299 58.299 58.056 0.243 25576 7702 1 15 . 1 1 9 9 SER CB C 9 63.848 63.848 63.957 -0.109 25576 7703 1 15 . 1 1 9 9 SER H H 9 8.596 8.596 8.620 -0.024 25576 7704 1 15 . 1 1 10 10 THR N N 10 115.838 115.838 114.299 1.539 25576 7705 1 15 . 1 1 10 10 THR HA H 10 4.334 4.334 4.534 -0.200 25576 7706 1 15 . 1 1 10 10 THR C C 10 176.158 176.158 174.437 1.721 25576 7707 1 15 . 1 1 10 10 THR CA C 10 61.966 61.966 61.882 0.084 25576 7708 1 15 . 1 1 10 10 THR CB C 10 69.581 69.581 68.876 0.705 25576 7709 1 15 . 1 1 10 10 THR H H 10 8.247 8.247 8.368 -0.121 25576 7710 1 15 . 1 1 11 11 GLU N N 11 122.975 122.975 121.083 1.892 25576 7711 1 15 . 1 1 11 11 GLU HA H 11 4.237 4.237 4.516 -0.279 25576 7712 1 15 . 1 1 11 11 GLU C C 11 175.920 175.920 175.333 0.587 25576 7713 1 15 . 1 1 11 11 GLU CA C 11 56.779 56.779 55.993 0.786 25576 7714 1 15 . 1 1 11 11 GLU CB C 11 29.869 29.869 30.837 -0.969 25576 7715 1 15 . 1 1 11 11 GLU H H 11 8.355 8.355 7.833 0.522 25576 7716 1 15 . 1 1 12 12 ASP N N 12 122.117 122.117 118.804 3.313 25576 7717 1 15 . 1 1 12 12 ASP HA H 12 4.562 4.562 4.993 -0.431 25576 7718 1 15 . 1 1 12 12 ASP C C 12 176.402 176.402 175.759 0.643 25576 7719 1 15 . 1 1 12 12 ASP CA C 12 54.224 54.224 53.925 0.299 25576 7720 1 15 . 1 1 12 12 ASP CB C 12 41.161 41.161 41.953 -0.792 25576 7721 1 15 . 1 1 12 12 ASP H H 12 8.411 8.411 8.425 -0.014 25576 7722 1 15 . 1 1 13 13 LEU N N 13 123.695 123.695 115.057 8.638 25576 7723 1 15 . 1 1 13 13 LEU HA H 13 4.306 4.306 4.724 -0.418 25576 7724 1 15 . 1 1 13 13 LEU C C 13 178.231 178.231 177.124 1.107 25576 7725 1 15 . 1 1 13 13 LEU CA C 13 55.384 55.384 53.687 1.697 25576 7726 1 15 . 1 1 13 13 LEU CB C 13 42.132 42.132 41.823 0.309 25576 7727 1 15 . 1 1 13 13 LEU H H 13 8.391 8.391 7.457 0.934 25576 7728 1 15 . 1 1 14 14 GLY N N 14 108.928 108.928 109.231 -0.303 25576 7729 1 15 . 1 1 14 14 GLY C C 14 174.014 174.014 173.571 0.443 25576 7730 1 15 . 1 1 14 14 GLY CA C 14 45.600 45.600 45.425 0.175 25576 7731 1 15 . 1 1 14 14 GLY H H 14 8.456 8.456 8.622 -0.166 25576 7732 1 15 . 1 1 15 15 ASP N N 15 120.427 120.427 119.778 0.649 25576 7733 1 15 . 1 1 15 15 ASP HA H 15 4.544 4.544 4.727 -0.183 25576 7734 1 15 . 1 1 15 15 ASP C C 15 176.810 176.810 175.527 1.283 25576 7735 1 15 . 1 1 15 15 ASP CA C 15 54.389 54.389 52.933 1.456 25576 7736 1 15 . 1 1 15 15 ASP CB C 15 41.153 41.153 42.179 -1.026 25576 7737 1 15 . 1 1 15 15 ASP H H 15 8.207 8.207 7.371 0.836 25576 7738 1 15 . 1 1 16 16 LYS N N 16 121.257 121.257 124.349 -3.092 25576 7739 1 15 . 1 1 16 16 LYS HA H 16 4.269 4.269 4.503 -0.234 25576 7740 1 15 . 1 1 16 16 LYS C C 16 176.470 176.470 176.111 0.359 25576 7741 1 15 . 1 1 16 16 LYS CA C 16 56.579 56.579 54.067 2.512 25576 7742 1 15 . 1 1 16 16 LYS CB C 16 29.470 29.470 33.682 -4.212 25576 7743 1 15 . 1 1 16 16 LYS H H 16 8.302 8.302 8.316 -0.014 25576 7744 1 15 . 1 1 17 17 LYS N N 17 122.205 122.205 121.463 0.742 25576 7745 1 15 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.099 0.168 25576 7746 1 15 . 1 1 17 17 LYS C C 17 176.837 176.837 176.929 -0.092 25576 7747 1 15 . 1 1 17 17 LYS CA C 17 56.177 56.177 57.451 -1.274 25576 7748 1 15 . 1 1 17 17 LYS CB C 17 32.684 32.684 32.957 -0.273 25576 7749 1 15 . 1 1 17 17 LYS H H 17 8.383 8.383 8.352 0.031 25576 7750 1 15 . 1 1 18 18 GLU N N 18 121.859 121.859 124.078 -2.219 25576 7751 1 15 . 1 1 18 18 GLU HA H 18 4.252 4.252 4.496 -0.244 25576 7752 1 15 . 1 1 18 18 GLU C C 18 176.964 176.964 175.358 1.606 25576 7753 1 15 . 1 1 18 18 GLU CA C 18 57.094 57.094 55.990 1.103 25576 7754 1 15 . 1 1 18 18 GLU CB C 18 30.261 30.261 31.224 -0.964 25576 7755 1 15 . 1 1 18 18 GLU H H 18 8.497 8.497 8.419 0.078 25576 7756 1 15 . 1 1 19 19 GLY N N 19 109.716 109.716 108.145 1.571 25576 7757 1 15 . 1 1 19 19 GLY C C 19 173.520 173.520 173.481 0.039 25576 7758 1 15 . 1 1 19 19 GLY CA C 19 45.386 45.386 45.054 0.332 25576 7759 1 15 . 1 1 19 19 GLY H H 19 8.447 8.447 8.584 -0.137 25576 7760 1 15 . 1 1 20 20 GLU N N 20 119.640 119.640 118.808 0.832 25576 7761 1 15 . 1 1 20 20 GLU HA H 20 4.255 4.255 3.873 0.382 25576 7762 1 15 . 1 1 20 20 GLU C C 20 175.453 175.453 174.636 0.817 25576 7763 1 15 . 1 1 20 20 GLU CA C 20 56.726 56.726 57.156 -0.430 25576 7764 1 15 . 1 1 20 20 GLU CB C 20 30.806 30.806 27.832 2.974 25576 7765 1 15 . 1 1 20 20 GLU H H 20 8.227 8.227 8.702 -0.475 25576 7766 1 15 . 1 1 21 21 TYR N N 21 119.301 119.301 112.905 6.396 25576 7767 1 15 . 1 1 21 21 TYR HA H 21 5.083 5.083 5.376 -0.293 25576 7768 1 15 . 1 1 21 21 TYR C C 21 175.805 175.805 174.268 1.537 25576 7769 1 15 . 1 1 21 21 TYR CA C 21 57.427 57.427 55.021 2.406 25576 7770 1 15 . 1 1 21 21 TYR CB C 21 41.620 41.620 40.994 0.626 25576 7771 1 15 . 1 1 21 21 TYR H H 21 8.367 8.367 6.934 1.433 25576 7772 1 15 . 1 1 22 22 ILE N N 22 116.642 116.642 114.070 2.572 25576 7773 1 15 . 1 1 22 22 ILE HA H 22 4.787 4.787 4.739 0.048 25576 7774 1 15 . 1 1 22 22 ILE C C 22 173.467 173.467 174.222 -0.755 25576 7775 1 15 . 1 1 22 22 ILE CA C 22 59.685 59.685 59.098 0.587 25576 7776 1 15 . 1 1 22 22 ILE CB C 22 42.383 42.383 41.420 0.963 25576 7777 1 15 . 1 1 22 22 ILE H H 22 9.151 9.151 8.850 0.301 25576 7778 1 15 . 1 1 23 23 LYS N N 23 124.306 124.306 119.685 4.621 25576 7779 1 15 . 1 1 23 23 LYS HA H 23 5.289 5.289 5.272 0.017 25576 7780 1 15 . 1 1 23 23 LYS C C 23 175.553 175.553 175.503 0.050 25576 7781 1 15 . 1 1 23 23 LYS CA C 23 55.629 55.629 55.220 0.409 25576 7782 1 15 . 1 1 23 23 LYS CB C 23 33.744 33.744 34.413 -0.670 25576 7783 1 15 . 1 1 23 23 LYS H H 23 8.623 8.623 8.341 0.282 25576 7784 1 15 . 1 1 24 24 LEU N N 24 124.177 124.177 121.361 2.816 25576 7785 1 15 . 1 1 24 24 LEU HA H 24 4.974 4.974 5.185 -0.211 25576 7786 1 15 . 1 1 24 24 LEU C C 24 175.910 175.910 174.632 1.278 25576 7787 1 15 . 1 1 24 24 LEU CA C 24 52.835 52.835 53.964 -1.129 25576 7788 1 15 . 1 1 24 24 LEU CB C 24 46.661 46.661 47.259 -0.598 25576 7789 1 15 . 1 1 24 24 LEU H H 24 8.940 8.940 8.863 0.077 25576 7790 1 15 . 1 1 25 25 LYS N N 25 120.635 120.635 120.003 0.632 25576 7791 1 15 . 1 1 25 25 LYS HA H 25 4.714 4.714 4.734 -0.020 25576 7792 1 15 . 1 1 25 25 LYS C C 25 174.125 174.125 174.113 0.012 25576 7793 1 15 . 1 1 25 25 LYS CA C 25 55.122 55.122 53.645 1.478 25576 7794 1 15 . 1 1 25 25 LYS CB C 25 34.919 34.919 36.525 -1.606 25576 7795 1 15 . 1 1 25 25 LYS H H 25 8.621 8.621 8.388 0.233 25576 7796 1 15 . 1 1 26 26 VAL N N 26 124.130 124.130 124.609 -0.479 25576 7797 1 15 . 1 1 26 26 VAL HA H 26 5.043 5.043 4.710 0.333 25576 7798 1 15 . 1 1 26 26 VAL C C 26 176.195 176.195 174.144 2.051 25576 7799 1 15 . 1 1 26 26 VAL CA C 26 61.193 61.193 60.211 0.982 25576 7800 1 15 . 1 1 26 26 VAL CB C 26 32.270 32.270 35.683 -3.413 25576 7801 1 15 . 1 1 26 26 VAL H H 26 9.113 9.113 8.619 0.494 25576 7802 1 15 . 1 1 27 27 ILE N N 27 128.245 128.245 126.115 2.130 25576 7803 1 15 . 1 1 27 27 ILE HA H 27 5.012 5.012 4.416 0.596 25576 7804 1 15 . 1 1 27 27 ILE C C 27 175.976 175.976 175.319 0.657 25576 7805 1 15 . 1 1 27 27 ILE CA C 27 59.910 59.910 58.215 1.695 25576 7806 1 15 . 1 1 27 27 ILE CB C 27 39.851 39.851 36.828 3.023 25576 7807 1 15 . 1 1 27 27 ILE H H 27 9.063 9.063 8.268 0.795 25576 7808 1 15 . 1 1 28 28 GLY N N 28 113.332 113.332 112.848 0.484 25576 7809 1 15 . 1 1 28 28 GLY C C 28 175.505 175.505 175.499 0.006 25576 7810 1 15 . 1 1 28 28 GLY CA C 28 43.958 43.958 44.260 -0.302 25576 7811 1 15 . 1 1 28 28 GLY H H 28 8.485 8.485 8.176 0.309 25576 7812 1 15 . 1 1 29 29 GLN N N 29 120.493 120.493 118.162 2.331 25576 7813 1 15 . 1 1 29 29 GLN HA H 29 4.113 4.113 4.043 0.070 25576 7814 1 15 . 1 1 29 29 GLN C C 29 176.003 176.003 177.093 -1.090 25576 7815 1 15 . 1 1 29 29 GLN CA C 29 57.808 57.808 57.662 0.146 25576 7816 1 15 . 1 1 29 29 GLN CB C 29 28.735 28.735 28.646 0.089 25576 7817 1 15 . 1 1 29 29 GLN H H 29 8.768 8.768 8.890 -0.122 25576 7818 1 15 . 1 1 30 30 ASP N N 30 118.342 118.342 118.327 0.015 25576 7819 1 15 . 1 1 30 30 ASP HA H 30 4.537 4.537 4.726 -0.189 25576 7820 1 15 . 1 1 30 30 ASP C C 30 176.461 176.461 175.813 0.648 25576 7821 1 15 . 1 1 30 30 ASP CA C 30 53.271 53.271 53.278 -0.007 25576 7822 1 15 . 1 1 30 30 ASP CB C 30 39.867 39.867 41.193 -1.326 25576 7823 1 15 . 1 1 30 30 ASP H H 30 8.335 8.335 7.873 0.462 25576 7824 1 15 . 1 1 31 31 SER N N 31 111.069 111.069 112.811 -1.742 25576 7825 1 15 . 1 1 31 31 SER HA H 31 4.044 4.044 4.185 -0.141 25576 7826 1 15 . 1 1 31 31 SER C C 31 173.554 173.554 173.604 -0.050 25576 7827 1 15 . 1 1 31 31 SER CA C 31 60.529 60.529 59.316 1.213 25576 7828 1 15 . 1 1 31 31 SER CB C 31 62.268 62.268 61.582 0.686 25576 7829 1 15 . 1 1 31 31 SER H H 31 7.997 7.997 7.997 0.000 25576 7830 1 15 . 1 1 32 32 SER N N 32 117.489 117.489 115.287 2.202 25576 7831 1 15 . 1 1 32 32 SER HA H 32 4.380 4.380 4.423 -0.043 25576 7832 1 15 . 1 1 32 32 SER C C 32 173.550 173.550 174.697 -1.147 25576 7833 1 15 . 1 1 32 32 SER CA C 32 58.590 58.590 58.270 0.320 25576 7834 1 15 . 1 1 32 32 SER CB C 32 64.008 64.008 62.866 1.142 25576 7835 1 15 . 1 1 32 32 SER H H 32 8.081 8.081 8.168 -0.087 25576 7836 1 15 . 1 1 33 33 GLU N N 33 121.738 121.738 127.664 -5.926 25576 7837 1 15 . 1 1 33 33 GLU HA H 33 5.131 5.131 5.232 -0.101 25576 7838 1 15 . 1 1 33 33 GLU C C 33 175.317 175.317 176.046 -0.729 25576 7839 1 15 . 1 1 33 33 GLU CA C 33 55.212 55.212 55.806 -0.594 25576 7840 1 15 . 1 1 33 33 GLU CB C 33 32.596 32.596 29.967 2.629 25576 7841 1 15 . 1 1 33 33 GLU H H 33 8.616 8.616 8.077 0.539 25576 7842 1 15 . 1 1 34 34 ILE N N 34 124.389 124.389 124.964 -0.575 25576 7843 1 15 . 1 1 34 34 ILE HA H 34 4.359 4.359 4.484 -0.125 25576 7844 1 15 . 1 1 34 34 ILE C C 34 174.612 174.612 175.105 -0.493 25576 7845 1 15 . 1 1 34 34 ILE CA C 34 60.266 60.266 59.379 0.887 25576 7846 1 15 . 1 1 34 34 ILE CB C 34 40.906 40.906 39.789 1.117 25576 7847 1 15 . 1 1 34 34 ILE H H 34 8.670 8.670 8.345 0.325 25576 7848 1 15 . 1 1 35 35 HIS N N 35 125.683 125.683 124.685 0.998 25576 7849 1 15 . 1 1 35 35 HIS HA H 35 5.597 5.597 4.897 0.700 25576 7850 1 15 . 1 1 35 35 HIS C C 35 174.902 174.902 174.316 0.586 25576 7851 1 15 . 1 1 35 35 HIS CA C 35 54.765 54.765 54.212 0.553 25576 7852 1 15 . 1 1 35 35 HIS CB C 35 32.411 32.411 32.342 0.069 25576 7853 1 15 . 1 1 35 35 HIS H H 35 8.699 8.699 8.645 0.054 25576 7854 1 15 . 1 1 36 36 PHE N N 36 119.920 119.920 119.638 0.282 25576 7855 1 15 . 1 1 36 36 PHE HA H 36 4.949 4.949 5.060 -0.111 25576 7856 1 15 . 1 1 36 36 PHE C C 36 174.000 174.000 173.626 0.374 25576 7857 1 15 . 1 1 36 36 PHE CA C 36 57.003 57.003 56.026 0.977 25576 7858 1 15 . 1 1 36 36 PHE CB C 36 44.431 44.431 41.270 3.161 25576 7859 1 15 . 1 1 36 36 PHE H H 36 9.103 9.103 8.053 1.050 25576 7860 1 15 . 1 1 37 37 LYS N N 37 123.747 123.747 120.588 3.159 25576 7861 1 15 . 1 1 37 37 LYS HA H 37 4.294 4.294 5.139 -0.845 25576 7862 1 15 . 1 1 37 37 LYS C C 37 176.145 176.145 175.228 0.917 25576 7863 1 15 . 1 1 37 37 LYS CA C 37 55.448 55.448 55.470 -0.022 25576 7864 1 15 . 1 1 37 37 LYS CB C 37 33.467 33.467 34.429 -0.962 25576 7865 1 15 . 1 1 37 37 LYS H H 37 8.787 8.787 8.440 0.347 25576 7866 1 15 . 1 1 38 38 VAL N N 38 119.736 119.736 117.811 1.925 25576 7867 1 15 . 1 1 38 38 VAL HA H 38 4.957 4.957 5.178 -0.221 25576 7868 1 15 . 1 1 38 38 VAL C C 38 174.245 174.245 174.914 -0.669 25576 7869 1 15 . 1 1 38 38 VAL CA C 38 58.935 58.935 59.240 -0.305 25576 7870 1 15 . 1 1 38 38 VAL CB C 38 35.429 35.429 35.785 -0.356 25576 7871 1 15 . 1 1 38 38 VAL H H 38 9.138 9.138 9.028 0.110 25576 7872 1 15 . 1 1 39 39 LYS N N 39 122.359 122.359 122.322 0.037 25576 7873 1 15 . 1 1 39 39 LYS HA H 39 3.837 3.837 4.519 -0.682 25576 7874 1 15 . 1 1 39 39 LYS C C 39 179.383 179.383 177.299 2.084 25576 7875 1 15 . 1 1 39 39 LYS CA C 39 56.814 56.814 56.684 0.130 25576 7876 1 15 . 1 1 39 39 LYS CB C 39 30.576 30.576 33.127 -2.551 25576 7877 1 15 . 1 1 39 39 LYS H H 39 8.611 8.611 8.097 0.514 25576 7878 1 15 . 1 1 40 40 MET N N 40 119.929 119.929 117.364 2.565 25576 7879 1 15 . 1 1 40 40 MET HA H 40 4.103 4.103 4.507 -0.404 25576 7880 1 15 . 1 1 40 40 MET C C 40 176.546 176.546 177.510 -0.964 25576 7881 1 15 . 1 1 40 40 MET CA C 40 57.320 57.320 58.265 -0.945 25576 7882 1 15 . 1 1 40 40 MET CB C 40 30.903 30.903 33.401 -2.498 25576 7883 1 15 . 1 1 40 40 MET H H 40 8.562 8.562 9.056 -0.494 25576 7884 1 15 . 1 1 41 41 THR N N 41 100.263 100.263 110.226 -9.963 25576 7885 1 15 . 1 1 41 41 THR HA H 41 4.349 4.349 4.332 0.017 25576 7886 1 15 . 1 1 41 41 THR C C 41 174.506 174.506 173.878 0.628 25576 7887 1 15 . 1 1 41 41 THR CA C 41 60.147 60.147 60.998 -0.851 25576 7888 1 15 . 1 1 41 41 THR CB C 41 68.836 68.836 68.637 0.199 25576 7889 1 15 . 1 1 41 41 THR H H 41 6.974 6.974 8.050 -1.076 25576 7890 1 15 . 1 1 42 42 THR N N 42 120.616 120.616 115.409 5.207 25576 7891 1 15 . 1 1 42 42 THR HA H 42 4.187 4.187 4.368 -0.181 25576 7892 1 15 . 1 1 42 42 THR C C 42 174.052 174.052 173.255 0.797 25576 7893 1 15 . 1 1 42 42 THR CA C 42 63.153 63.153 60.411 2.742 25576 7894 1 15 . 1 1 42 42 THR CB C 42 69.645 69.645 71.114 -1.469 25576 7895 1 15 . 1 1 42 42 THR H H 42 7.192 7.192 7.303 -0.111 25576 7896 1 15 . 1 1 43 43 HIS N N 43 126.236 126.236 121.615 4.621 25576 7897 1 15 . 1 1 43 43 HIS HA H 43 4.411 4.411 4.600 -0.189 25576 7898 1 15 . 1 1 43 43 HIS C C 43 178.431 178.431 176.596 1.835 25576 7899 1 15 . 1 1 43 43 HIS CA C 43 57.366 57.366 55.868 1.498 25576 7900 1 15 . 1 1 43 43 HIS CB C 43 30.155 30.155 30.764 -0.609 25576 7901 1 15 . 1 1 43 43 HIS H H 43 8.807 8.807 8.520 0.287 25576 7902 1 15 . 1 1 44 44 LEU N N 44 124.757 124.757 124.555 0.202 25576 7903 1 15 . 1 1 44 44 LEU HA H 44 3.983 3.983 4.112 -0.129 25576 7904 1 15 . 1 1 44 44 LEU C C 44 177.051 177.051 177.994 -0.943 25576 7905 1 15 . 1 1 44 44 LEU CA C 44 58.790 58.790 55.929 2.861 25576 7906 1 15 . 1 1 44 44 LEU CB C 44 41.240 41.240 41.076 0.164 25576 7907 1 15 . 1 1 44 44 LEU H H 44 9.349 9.349 9.012 0.337 25576 7908 1 15 . 1 1 45 45 LYS N N 45 121.424 121.424 119.119 2.305 25576 7909 1 15 . 1 1 45 45 LYS HA H 45 3.584 3.584 3.953 -0.369 25576 7910 1 15 . 1 1 45 45 LYS C C 45 176.867 176.867 178.209 -1.342 25576 7911 1 15 . 1 1 45 45 LYS CA C 45 60.662 60.662 59.205 1.457 25576 7912 1 15 . 1 1 45 45 LYS CB C 45 33.389 33.389 31.192 2.197 25576 7913 1 15 . 1 1 45 45 LYS H H 45 8.543 8.543 7.659 0.884 25576 7914 1 15 . 1 1 46 46 LYS N N 46 114.033 114.033 118.888 -4.855 25576 7915 1 15 . 1 1 46 46 LYS HA H 46 4.087 4.087 4.167 -0.080 25576 7916 1 15 . 1 1 46 46 LYS C C 46 178.977 178.977 178.542 0.435 25576 7917 1 15 . 1 1 46 46 LYS CA C 46 58.615 58.615 58.843 -0.228 25576 7918 1 15 . 1 1 46 46 LYS CB C 46 31.643 31.643 31.746 -0.103 25576 7919 1 15 . 1 1 46 46 LYS H H 46 7.517 7.517 7.551 -0.034 25576 7920 1 15 . 1 1 47 47 LEU N N 47 121.871 121.871 121.217 0.654 25576 7921 1 15 . 1 1 47 47 LEU HA H 47 3.660 3.660 3.751 -0.091 25576 7922 1 15 . 1 1 47 47 LEU C C 47 177.575 177.575 178.317 -0.742 25576 7923 1 15 . 1 1 47 47 LEU CA C 47 58.514 58.514 57.593 0.921 25576 7924 1 15 . 1 1 47 47 LEU CB C 47 41.890 41.890 41.630 0.260 25576 7925 1 15 . 1 1 47 47 LEU H H 47 6.739 6.739 7.316 -0.577 25576 7926 1 15 . 1 1 48 48 LYS N N 48 118.246 118.246 119.201 -0.955 25576 7927 1 15 . 1 1 48 48 LYS HA H 48 3.081 3.081 4.111 -1.030 25576 7928 1 15 . 1 1 48 48 LYS C C 48 178.700 178.700 179.111 -0.411 25576 7929 1 15 . 1 1 48 48 LYS CA C 48 59.712 59.712 60.261 -0.549 25576 7930 1 15 . 1 1 48 48 LYS CB C 48 32.411 32.411 32.029 0.382 25576 7931 1 15 . 1 1 48 48 LYS H H 48 7.556 7.556 8.161 -0.605 25576 7932 1 15 . 1 1 49 49 GLU N N 49 118.092 118.092 117.934 0.158 25576 7933 1 15 . 1 1 49 49 GLU HA H 49 3.973 3.973 3.894 0.079 25576 7934 1 15 . 1 1 49 49 GLU C C 49 179.453 179.453 178.711 0.742 25576 7935 1 15 . 1 1 49 49 GLU CA C 49 59.627 59.627 59.185 0.442 25576 7936 1 15 . 1 1 49 49 GLU CB C 49 30.120 30.120 28.809 1.310 25576 7937 1 15 . 1 1 49 49 GLU H H 49 8.500 8.500 8.552 -0.052 25576 7938 1 15 . 1 1 50 50 SER N N 50 115.646 115.646 117.042 -1.396 25576 7939 1 15 . 1 1 50 50 SER HA H 50 4.260 4.260 4.176 0.084 25576 7940 1 15 . 1 1 50 50 SER C C 50 177.171 177.171 176.621 0.550 25576 7941 1 15 . 1 1 50 50 SER CA C 50 61.947 61.947 62.199 -0.252 25576 7942 1 15 . 1 1 50 50 SER CB C 50 63.258 63.258 63.218 0.040 25576 7943 1 15 . 1 1 50 50 SER H H 50 7.966 7.966 7.816 0.150 25576 7944 1 15 . 1 1 51 51 TYR N N 51 122.610 122.610 120.336 2.274 25576 7945 1 15 . 1 1 51 51 TYR HA H 51 4.026 4.026 4.431 -0.405 25576 7946 1 15 . 1 1 51 51 TYR C C 51 177.374 177.374 176.996 0.378 25576 7947 1 15 . 1 1 51 51 TYR CA C 51 63.608 63.608 59.930 3.678 25576 7948 1 15 . 1 1 51 51 TYR CB C 51 38.618 38.618 37.574 1.044 25576 7949 1 15 . 1 1 51 51 TYR H H 51 8.833 8.833 8.160 0.673 25576 7950 1 15 . 1 1 52 52 CYS N N 52 117.395 117.395 119.637 -2.242 25576 7951 1 15 . 1 1 52 52 CYS HA H 52 3.915 3.915 3.722 0.193 25576 7952 1 15 . 1 1 52 52 CYS C C 52 177.182 177.182 176.599 0.583 25576 7953 1 15 . 1 1 52 52 CYS CA C 52 65.108 65.108 64.476 0.632 25576 7954 1 15 . 1 1 52 52 CYS CB C 52 26.151 26.151 27.124 -0.973 25576 7955 1 15 . 1 1 52 52 CYS H H 52 8.676 8.676 7.648 1.028 25576 7956 1 15 . 1 1 53 53 GLN N N 53 119.196 119.196 118.845 0.351 25576 7957 1 15 . 1 1 53 53 GLN HA H 53 4.109 4.109 3.986 0.123 25576 7958 1 15 . 1 1 53 53 GLN C C 53 179.105 179.105 178.177 0.928 25576 7959 1 15 . 1 1 53 53 GLN CA C 53 58.973 58.973 58.314 0.659 25576 7960 1 15 . 1 1 53 53 GLN CB C 53 28.211 28.211 27.994 0.217 25576 7961 1 15 . 1 1 53 53 GLN H H 53 8.322 8.322 7.991 0.331 25576 7962 1 15 . 1 1 54 54 ARG N N 54 120.139 120.139 119.646 0.493 25576 7963 1 15 . 1 1 54 54 ARG HA H 54 4.018 4.018 4.131 -0.113 25576 7964 1 15 . 1 1 54 54 ARG C C 54 178.300 178.300 178.532 -0.232 25576 7965 1 15 . 1 1 54 54 ARG CA C 54 58.552 58.552 58.276 0.276 25576 7966 1 15 . 1 1 54 54 ARG CB C 54 29.669 29.669 29.781 -0.112 25576 7967 1 15 . 1 1 54 54 ARG H H 54 8.011 8.011 7.697 0.314 25576 7968 1 15 . 1 1 55 55 GLN N N 55 114.160 114.160 116.410 -2.250 25576 7969 1 15 . 1 1 55 55 GLN HA H 55 4.251 4.251 4.340 -0.089 25576 7970 1 15 . 1 1 55 55 GLN C C 55 176.410 176.410 177.045 -0.635 25576 7971 1 15 . 1 1 55 55 GLN CA C 55 55.119 55.119 56.847 -1.728 25576 7972 1 15 . 1 1 55 55 GLN CB C 55 29.424 29.424 29.519 -0.095 25576 7973 1 15 . 1 1 55 55 GLN H H 55 7.806 7.806 7.733 0.073 25576 7974 1 15 . 1 1 56 56 GLY N N 56 109.749 109.749 107.718 2.031 25576 7975 1 15 . 1 1 56 56 GLY C C 56 174.908 174.908 174.057 0.851 25576 7976 1 15 . 1 1 56 56 GLY CA C 56 46.658 46.658 45.329 1.329 25576 7977 1 15 . 1 1 56 56 GLY H H 56 7.932 7.932 7.765 0.167 25576 7978 1 15 . 1 1 57 57 VAL N N 57 111.990 111.990 116.456 -4.466 25576 7979 1 15 . 1 1 57 57 VAL HA H 57 4.941 4.941 4.668 0.273 25576 7980 1 15 . 1 1 57 57 VAL CA C 57 57.534 57.534 57.887 -0.353 25576 7981 1 15 . 1 1 57 57 VAL CB C 57 32.697 32.697 33.623 -0.926 25576 7982 1 15 . 1 1 57 57 VAL H H 57 7.651 7.651 7.559 0.092 25576 7983 1 15 . 1 1 58 58 PRO HA H 58 4.528 4.528 4.497 0.031 25576 7984 1 15 . 1 1 58 58 PRO C C 58 179.169 179.169 178.109 1.060 25576 7985 1 15 . 1 1 58 58 PRO CA C 58 62.211 62.211 62.834 -0.623 25576 7986 1 15 . 1 1 58 58 PRO CB C 58 32.543 32.543 32.547 -0.004 25576 7987 1 15 . 1 1 59 59 MET N N 59 124.522 124.522 118.253 6.269 25576 7988 1 15 . 1 1 59 59 MET HA H 59 4.703 4.703 4.296 0.407 25576 7989 1 15 . 1 1 59 59 MET C C 59 177.459 177.459 175.823 1.636 25576 7990 1 15 . 1 1 59 59 MET CA C 59 58.247 58.247 57.944 0.303 25576 7991 1 15 . 1 1 59 59 MET CB C 59 32.795 32.795 32.253 0.542 25576 7992 1 15 . 1 1 59 59 MET H H 59 9.002 9.002 8.737 0.265 25576 7993 1 15 . 1 1 60 60 ASN N N 60 113.185 113.185 112.466 0.719 25576 7994 1 15 . 1 1 60 60 ASN HA H 60 4.673 4.673 4.622 0.051 25576 7995 1 15 . 1 1 60 60 ASN C C 60 175.674 175.674 175.847 -0.173 25576 7996 1 15 . 1 1 60 60 ASN CA C 60 53.935 53.935 53.881 0.054 25576 7997 1 15 . 1 1 60 60 ASN CB C 60 37.217 37.217 38.344 -1.127 25576 7998 1 15 . 1 1 60 60 ASN H H 60 8.424 8.424 8.066 0.358 25576 7999 1 15 . 1 1 61 61 SER N N 61 113.092 113.092 115.112 -2.020 25576 8000 1 15 . 1 1 61 61 SER HA H 61 4.500 4.500 4.498 0.002 25576 8001 1 15 . 1 1 61 61 SER C C 61 173.455 173.455 173.186 0.269 25576 8002 1 15 . 1 1 61 61 SER CA C 61 59.609 59.609 60.168 -0.559 25576 8003 1 15 . 1 1 61 61 SER CB C 61 64.812 64.812 64.405 0.407 25576 8004 1 15 . 1 1 61 61 SER H H 61 7.931 7.931 7.963 -0.032 25576 8005 1 15 . 1 1 62 62 LEU N N 62 120.961 120.961 115.593 5.368 25576 8006 1 15 . 1 1 62 62 LEU HA H 62 5.109 5.109 4.932 0.177 25576 8007 1 15 . 1 1 62 62 LEU C C 62 175.588 175.588 175.680 -0.092 25576 8008 1 15 . 1 1 62 62 LEU CA C 62 53.575 53.575 52.767 0.809 25576 8009 1 15 . 1 1 62 62 LEU CB C 62 46.262 46.262 44.965 1.297 25576 8010 1 15 . 1 1 62 62 LEU H H 62 7.265 7.265 7.053 0.212 25576 8011 1 15 . 1 1 63 63 ARG N N 63 120.142 120.142 120.104 0.038 25576 8012 1 15 . 1 1 63 63 ARG HA H 63 4.668 4.668 4.418 0.250 25576 8013 1 15 . 1 1 63 63 ARG C C 63 172.784 172.784 175.101 -2.317 25576 8014 1 15 . 1 1 63 63 ARG CA C 63 54.488 54.488 54.621 -0.133 25576 8015 1 15 . 1 1 63 63 ARG CB C 63 33.111 33.111 31.778 1.333 25576 8016 1 15 . 1 1 63 63 ARG H H 63 8.993 8.993 8.888 0.105 25576 8017 1 15 . 1 1 64 64 PHE N N 64 122.537 122.537 123.407 -0.870 25576 8018 1 15 . 1 1 64 64 PHE HA H 64 4.959 4.959 5.408 -0.449 25576 8019 1 15 . 1 1 64 64 PHE C C 64 174.150 174.150 174.382 -0.232 25576 8020 1 15 . 1 1 64 64 PHE CA C 64 56.347 56.347 54.710 1.637 25576 8021 1 15 . 1 1 64 64 PHE CB C 64 40.762 40.762 39.136 1.626 25576 8022 1 15 . 1 1 64 64 PHE H H 64 8.923 8.923 8.125 0.798 25576 8023 1 15 . 1 1 65 65 LEU N N 65 124.212 124.212 120.016 4.196 25576 8024 1 15 . 1 1 65 65 LEU HA H 65 5.290 5.290 5.746 -0.456 25576 8025 1 15 . 1 1 65 65 LEU C C 65 175.903 175.903 174.422 1.481 25576 8026 1 15 . 1 1 65 65 LEU CA C 65 53.729 53.729 53.482 0.247 25576 8027 1 15 . 1 1 65 65 LEU CB C 65 46.385 46.385 46.289 0.095 25576 8028 1 15 . 1 1 65 65 LEU H H 65 9.738 9.738 9.195 0.543 25576 8029 1 15 . 1 1 66 66 PHE N N 66 119.384 119.384 121.425 -2.041 25576 8030 1 15 . 1 1 66 66 PHE HA H 66 5.202 5.202 4.988 0.214 25576 8031 1 15 . 1 1 66 66 PHE C C 66 175.017 175.017 174.757 0.260 25576 8032 1 15 . 1 1 66 66 PHE CA C 66 56.291 56.291 57.332 -1.041 25576 8033 1 15 . 1 1 66 66 PHE CB C 66 41.700 41.700 42.716 -1.016 25576 8034 1 15 . 1 1 66 66 PHE H H 66 8.968 8.968 9.042 -0.074 25576 8035 1 15 . 1 1 67 67 GLU N N 67 129.196 129.196 124.741 4.455 25576 8036 1 15 . 1 1 67 67 GLU HA H 67 3.540 3.540 3.597 -0.057 25576 8037 1 15 . 1 1 67 67 GLU C C 67 176.778 176.778 176.147 0.631 25576 8038 1 15 . 1 1 67 67 GLU CA C 67 56.769 56.769 56.813 -0.044 25576 8039 1 15 . 1 1 67 67 GLU CB C 67 26.897 26.897 27.380 -0.483 25576 8040 1 15 . 1 1 67 67 GLU H H 67 9.381 9.381 8.727 0.654 25576 8041 1 15 . 1 1 68 68 GLY N N 68 103.263 103.263 105.139 -1.876 25576 8042 1 15 . 1 1 68 68 GLY C C 68 173.651 173.651 173.184 0.467 25576 8043 1 15 . 1 1 68 68 GLY CA C 68 45.476 45.476 44.926 0.550 25576 8044 1 15 . 1 1 68 68 GLY H H 68 8.858 8.858 8.279 0.579 25576 8045 1 15 . 1 1 69 69 GLN N N 69 120.732 120.732 118.655 2.077 25576 8046 1 15 . 1 1 69 69 GLN HA H 69 4.589 4.589 4.708 -0.119 25576 8047 1 15 . 1 1 69 69 GLN C C 69 175.204 175.204 174.640 0.564 25576 8048 1 15 . 1 1 69 69 GLN CA C 69 53.776 53.776 54.141 -0.365 25576 8049 1 15 . 1 1 69 69 GLN CB C 69 30.660 30.660 31.929 -1.269 25576 8050 1 15 . 1 1 69 69 GLN H H 69 7.996 7.996 8.046 -0.050 25576 8051 1 15 . 1 1 70 70 ARG N N 70 125.102 125.102 124.519 0.583 25576 8052 1 15 . 1 1 70 70 ARG HA H 70 4.395 4.395 4.839 -0.444 25576 8053 1 15 . 1 1 70 70 ARG C C 70 177.004 177.004 175.554 1.450 25576 8054 1 15 . 1 1 70 70 ARG CA C 70 57.305 57.305 55.502 1.803 25576 8055 1 15 . 1 1 70 70 ARG CB C 70 30.511 30.511 31.056 -0.545 25576 8056 1 15 . 1 1 70 70 ARG H H 70 8.823 8.823 8.777 0.046 25576 8057 1 15 . 1 1 71 71 ILE N N 71 126.949 126.949 122.677 4.272 25576 8058 1 15 . 1 1 71 71 ILE HA H 71 4.477 4.477 4.459 0.018 25576 8059 1 15 . 1 1 71 71 ILE C C 71 176.145 176.145 175.315 0.830 25576 8060 1 15 . 1 1 71 71 ILE CA C 71 61.337 61.337 59.175 2.162 25576 8061 1 15 . 1 1 71 71 ILE CB C 71 39.067 39.067 36.192 2.875 25576 8062 1 15 . 1 1 71 71 ILE H H 71 9.020 9.020 8.799 0.221 25576 8063 1 15 . 1 1 72 72 ALA N N 72 139.307 139.307 129.966 9.341 25576 8064 1 15 . 1 1 72 72 ALA HA H 72 4.334 4.334 4.378 -0.044 25576 8065 1 15 . 1 1 72 72 ALA C C 72 177.973 177.973 178.315 -0.342 25576 8066 1 15 . 1 1 72 72 ALA CA C 72 50.785 50.785 49.909 0.876 25576 8067 1 15 . 1 1 72 72 ALA CB C 72 18.407 18.407 20.672 -2.265 25576 8068 1 15 . 1 1 72 72 ALA H H 72 10.910 10.910 7.802 3.108 25576 8069 1 15 . 1 1 73 73 ASP N N 73 120.493 120.493 120.136 0.357 25576 8070 1 15 . 1 1 73 73 ASP HA H 73 3.823 3.823 4.249 -0.426 25576 8071 1 15 . 1 1 73 73 ASP C C 73 176.104 176.104 176.307 -0.203 25576 8072 1 15 . 1 1 73 73 ASP CA C 73 57.113 57.113 57.077 0.036 25576 8073 1 15 . 1 1 73 73 ASP CB C 73 40.032 40.032 40.749 -0.717 25576 8074 1 15 . 1 1 73 73 ASP H H 73 8.770 8.770 8.764 0.006 25576 8075 1 15 . 1 1 74 74 ASN N N 74 109.526 109.526 114.522 -4.996 25576 8076 1 15 . 1 1 74 74 ASN HA H 74 4.245 4.245 3.918 0.327 25576 8077 1 15 . 1 1 74 74 ASN C C 74 176.050 176.050 174.227 1.823 25576 8078 1 15 . 1 1 74 74 ASN CA C 74 52.073 52.073 52.556 -0.483 25576 8079 1 15 . 1 1 74 74 ASN CB C 74 37.343 37.343 38.822 -1.480 25576 8080 1 15 . 1 1 74 74 ASN H H 74 7.738 7.738 8.146 -0.408 25576 8081 1 15 . 1 1 75 75 HIS N N 75 119.821 119.821 120.683 -0.862 25576 8082 1 15 . 1 1 75 75 HIS HA H 75 4.908 4.908 4.549 0.359 25576 8083 1 15 . 1 1 75 75 HIS C C 75 175.680 175.680 174.280 1.400 25576 8084 1 15 . 1 1 75 75 HIS CA C 75 56.606 56.606 56.065 0.541 25576 8085 1 15 . 1 1 75 75 HIS CB C 75 33.549 33.549 31.208 2.341 25576 8086 1 15 . 1 1 75 75 HIS H H 75 7.149 7.149 7.601 -0.452 25576 8087 1 15 . 1 1 76 76 THR N N 76 108.304 108.304 114.698 -6.394 25576 8088 1 15 . 1 1 76 76 THR HA H 76 5.197 5.197 5.147 0.050 25576 8089 1 15 . 1 1 76 76 THR CA C 76 57.594 57.594 58.319 -0.725 25576 8090 1 15 . 1 1 76 76 THR CB C 76 70.033 70.033 70.409 -0.376 25576 8091 1 15 . 1 1 76 76 THR H H 76 7.303 7.303 8.350 -1.047 25576 8092 1 15 . 1 1 77 77 PRO HA H 77 4.241 4.241 4.156 0.085 25576 8093 1 15 . 1 1 77 77 PRO C C 77 178.445 178.445 178.011 0.434 25576 8094 1 15 . 1 1 77 77 PRO CA C 77 65.724 65.724 65.362 0.362 25576 8095 1 15 . 1 1 77 77 PRO CB C 77 32.479 32.479 31.904 0.575 25576 8096 1 15 . 1 1 78 78 LYS N N 78 115.329 115.329 115.918 -0.589 25576 8097 1 15 . 1 1 78 78 LYS HA H 78 3.956 3.956 4.040 -0.084 25576 8098 1 15 . 1 1 78 78 LYS C C 78 179.328 179.328 178.732 0.596 25576 8099 1 15 . 1 1 78 78 LYS CA C 78 59.012 59.012 59.160 -0.148 25576 8100 1 15 . 1 1 78 78 LYS CB C 78 32.845 32.845 31.611 1.234 25576 8101 1 15 . 1 1 78 78 LYS H H 78 8.073 8.073 7.581 0.492 25576 8102 1 15 . 1 1 79 79 GLU N N 79 120.840 120.840 119.382 1.458 25576 8103 1 15 . 1 1 79 79 GLU HA H 79 3.957 3.957 4.141 -0.184 25576 8104 1 15 . 1 1 79 79 GLU C C 79 178.566 178.566 178.466 0.100 25576 8105 1 15 . 1 1 79 79 GLU CA C 79 58.790 58.790 58.194 0.596 25576 8106 1 15 . 1 1 79 79 GLU CB C 79 30.290 30.290 29.330 0.960 25576 8107 1 15 . 1 1 79 79 GLU H H 79 7.978 7.978 7.477 0.501 25576 8108 1 15 . 1 1 80 80 LEU N N 80 115.072 115.072 117.528 -2.456 25576 8109 1 15 . 1 1 80 80 LEU HA H 80 4.222 4.222 4.353 -0.131 25576 8110 1 15 . 1 1 80 80 LEU C C 80 176.602 176.602 177.490 -0.888 25576 8111 1 15 . 1 1 80 80 LEU CA C 80 54.613 54.613 55.057 -0.444 25576 8112 1 15 . 1 1 80 80 LEU CB C 80 42.453 42.453 42.006 0.447 25576 8113 1 15 . 1 1 80 80 LEU H H 80 7.486 7.486 8.053 -0.567 25576 8114 1 15 . 1 1 81 81 GLY N N 81 108.019 108.019 106.769 1.250 25576 8115 1 15 . 1 1 81 81 GLY C C 81 175.390 175.390 174.321 1.069 25576 8116 1 15 . 1 1 81 81 GLY CA C 81 46.622 46.622 45.239 1.383 25576 8117 1 15 . 1 1 81 81 GLY H H 81 7.644 7.644 7.380 0.264 25576 8118 1 15 . 1 1 82 82 MET N N 82 117.606 117.606 118.531 -0.925 25576 8119 1 15 . 1 1 82 82 MET HA H 82 4.185 4.185 5.084 -0.899 25576 8120 1 15 . 1 1 82 82 MET C C 82 174.482 174.482 175.258 -0.776 25576 8121 1 15 . 1 1 82 82 MET CA C 82 57.019 57.019 55.035 1.984 25576 8122 1 15 . 1 1 82 82 MET CB C 82 34.089 34.089 35.460 -1.371 25576 8123 1 15 . 1 1 82 82 MET H H 82 7.628 7.628 8.090 -0.462 25576 8124 1 15 . 1 1 83 83 GLU N N 83 120.980 120.980 117.505 3.475 25576 8125 1 15 . 1 1 83 83 GLU HA H 83 4.457 4.457 4.763 -0.306 25576 8126 1 15 . 1 1 83 83 GLU C C 83 174.297 174.297 175.306 -1.009 25576 8127 1 15 . 1 1 83 83 GLU CA C 83 53.875 53.875 54.283 -0.408 25576 8128 1 15 . 1 1 83 83 GLU CB C 83 33.937 33.937 32.353 1.584 25576 8129 1 15 . 1 1 83 83 GLU H H 83 9.314 9.314 8.095 1.219 25576 8130 1 15 . 1 1 84 84 GLU N N 84 119.063 119.063 120.444 -1.381 25576 8131 1 15 . 1 1 84 84 GLU HA H 84 4.199 4.199 4.192 0.007 25576 8132 1 15 . 1 1 84 84 GLU C C 84 177.527 177.527 176.608 0.919 25576 8133 1 15 . 1 1 84 84 GLU CA C 84 58.549 58.549 56.967 1.582 25576 8134 1 15 . 1 1 84 84 GLU CB C 84 29.993 29.993 29.543 0.450 25576 8135 1 15 . 1 1 84 84 GLU H H 84 8.341 8.341 8.500 -0.159 25576 8136 1 15 . 1 1 85 85 GLU N N 85 118.840 118.840 119.095 -0.255 25576 8137 1 15 . 1 1 85 85 GLU HA H 85 3.645 3.645 3.884 -0.239 25576 8138 1 15 . 1 1 85 85 GLU C C 85 175.047 175.047 175.573 -0.526 25576 8139 1 15 . 1 1 85 85 GLU CA C 85 58.846 58.846 58.284 0.562 25576 8140 1 15 . 1 1 85 85 GLU CB C 85 26.691 26.691 28.970 -2.279 25576 8141 1 15 . 1 1 85 85 GLU H H 85 9.357 9.357 9.104 0.253 25576 8142 1 15 . 1 1 86 86 ASP N N 86 120.217 120.217 119.818 0.399 25576 8143 1 15 . 1 1 86 86 ASP HA H 86 4.880 4.880 4.538 0.342 25576 8144 1 15 . 1 1 86 86 ASP C C 86 174.417 174.417 174.836 -0.419 25576 8145 1 15 . 1 1 86 86 ASP CA C 86 55.822 55.822 55.398 0.424 25576 8146 1 15 . 1 1 86 86 ASP CB C 86 41.926 41.926 42.108 -0.182 25576 8147 1 15 . 1 1 86 86 ASP H H 86 8.155 8.155 7.636 0.519 25576 8148 1 15 . 1 1 87 87 VAL N N 87 116.641 116.641 120.319 -3.678 25576 8149 1 15 . 1 1 87 87 VAL HA H 87 4.924 4.924 5.036 -0.112 25576 8150 1 15 . 1 1 87 87 VAL C C 87 176.064 176.064 174.555 1.509 25576 8151 1 15 . 1 1 87 87 VAL CA C 87 61.311 61.311 60.414 0.897 25576 8152 1 15 . 1 1 87 87 VAL CB C 87 35.067 35.067 35.250 -0.183 25576 8153 1 15 . 1 1 87 87 VAL H H 87 8.191 8.191 8.280 -0.089 25576 8154 1 15 . 1 1 88 88 ILE N N 88 127.353 127.353 126.869 0.484 25576 8155 1 15 . 1 1 88 88 ILE HA H 88 4.845 4.845 4.643 0.202 25576 8156 1 15 . 1 1 88 88 ILE C C 88 174.967 174.967 173.938 1.029 25576 8157 1 15 . 1 1 88 88 ILE CA C 88 59.381 59.381 59.678 -0.297 25576 8158 1 15 . 1 1 88 88 ILE CB C 88 40.984 40.984 41.002 -0.018 25576 8159 1 15 . 1 1 88 88 ILE H H 88 9.165 9.165 9.052 0.113 25576 8160 1 15 . 1 1 89 89 GLU N N 89 125.851 125.851 123.344 2.507 25576 8161 1 15 . 1 1 89 89 GLU HA H 89 4.820 4.820 4.691 0.129 25576 8162 1 15 . 1 1 89 89 GLU C C 89 175.262 175.262 174.836 0.426 25576 8163 1 15 . 1 1 89 89 GLU CA C 89 55.158 55.158 54.593 0.565 25576 8164 1 15 . 1 1 89 89 GLU CB C 89 33.359 33.359 32.309 1.050 25576 8165 1 15 . 1 1 89 89 GLU H H 89 8.858 8.858 8.537 0.321 25576 8166 1 15 . 1 1 90 90 VAL N N 90 119.735 119.735 125.698 -5.963 25576 8167 1 15 . 1 1 90 90 VAL HA H 90 4.817 4.817 5.271 -0.454 25576 8168 1 15 . 1 1 90 90 VAL C C 90 174.870 174.870 174.264 0.606 25576 8169 1 15 . 1 1 90 90 VAL CA C 90 59.412 59.412 60.547 -1.135 25576 8170 1 15 . 1 1 90 90 VAL CB C 90 34.031 34.031 34.577 -0.546 25576 8171 1 15 . 1 1 90 90 VAL H H 90 7.770 7.770 8.092 -0.322 25576 8172 1 15 . 1 1 91 91 TYR N N 91 124.243 124.243 124.168 0.075 25576 8173 1 15 . 1 1 91 91 TYR HA H 91 4.621 4.621 4.754 -0.133 25576 8174 1 15 . 1 1 91 91 TYR C C 91 174.588 174.588 174.534 0.054 25576 8175 1 15 . 1 1 91 91 TYR CA C 91 56.018 56.018 56.989 -0.971 25576 8176 1 15 . 1 1 91 91 TYR CB C 91 42.641 42.641 41.828 0.813 25576 8177 1 15 . 1 1 91 91 TYR H H 91 8.540 8.540 9.269 -0.729 25576 8178 1 15 . 1 1 92 92 GLN N N 92 120.784 120.784 119.432 1.352 25576 8179 1 15 . 1 1 92 92 GLN HA H 92 4.529 4.529 4.682 -0.153 25576 8180 1 15 . 1 1 92 92 GLN C C 92 176.679 176.679 175.905 0.774 25576 8181 1 15 . 1 1 92 92 GLN CA C 92 56.135 56.135 55.423 0.711 25576 8182 1 15 . 1 1 92 92 GLN CB C 92 29.342 29.342 30.813 -1.471 25576 8183 1 15 . 1 1 92 92 GLN H H 92 8.726 8.726 8.839 -0.113 25576 8184 1 15 . 1 1 93 93 GLU N N 93 125.131 125.131 122.932 2.199 25576 8185 1 15 . 1 1 93 93 GLU HA H 93 4.364 4.364 4.614 -0.250 25576 8186 1 15 . 1 1 93 93 GLU C C 93 176.244 176.244 176.408 -0.164 25576 8187 1 15 . 1 1 93 93 GLU CA C 93 56.111 56.111 55.892 0.220 25576 8188 1 15 . 1 1 93 93 GLU CB C 93 30.517 30.517 30.543 -0.026 25576 8189 1 15 . 1 1 93 93 GLU H H 93 8.419 8.419 9.049 -0.630 25576 8190 1 15 . 1 1 94 94 GLN N N 94 122.912 122.912 120.199 2.713 25576 8191 1 15 . 1 1 94 94 GLN HA H 94 4.439 4.439 4.318 0.121 25576 8192 1 15 . 1 1 94 94 GLN C C 94 176.135 176.135 176.567 -0.432 25576 8193 1 15 . 1 1 94 94 GLN CA C 94 55.585 55.585 56.365 -0.780 25576 8194 1 15 . 1 1 94 94 GLN CB C 94 29.513 29.513 29.230 0.283 25576 8195 1 15 . 1 1 94 94 GLN H H 94 8.780 8.780 8.130 0.650 25576 8196 1 15 . 1 1 95 95 THR N N 95 116.094 116.094 111.192 4.902 25576 8197 1 15 . 1 1 95 95 THR HA H 95 4.294 4.294 4.822 -0.528 25576 8198 1 15 . 1 1 95 95 THR C C 95 175.136 175.136 172.827 2.309 25576 8199 1 15 . 1 1 95 95 THR CA C 95 61.971 61.971 61.840 0.131 25576 8200 1 15 . 1 1 95 95 THR CB C 95 69.829 69.829 70.626 -0.797 25576 8201 1 15 . 1 1 95 95 THR H H 95 8.392 8.392 8.669 -0.277 25576 8202 1 15 . 1 1 96 96 GLY N N 96 111.858 111.858 109.967 1.891 25576 8203 1 15 . 1 1 96 96 GLY C C 96 173.704 173.704 174.319 -0.615 25576 8204 1 15 . 1 1 96 96 GLY CA C 96 45.424 45.424 45.077 0.347 25576 8205 1 15 . 1 1 96 96 GLY H H 96 8.508 8.508 9.325 -0.817 25576 8206 1 16 . 1 1 2 2 SER N N 2 116.367 116.367 114.643 1.724 25576 8207 1 16 . 1 1 2 2 SER HA H 2 4.458 4.458 4.646 -0.188 25576 8208 1 16 . 1 1 2 2 SER C C 2 174.579 174.579 174.208 0.371 25576 8209 1 16 . 1 1 2 2 SER CA C 2 58.539 58.539 58.131 0.408 25576 8210 1 16 . 1 1 2 2 SER CB C 2 63.940 63.940 64.360 -0.420 25576 8211 1 16 . 1 1 2 2 SER H H 2 8.127 8.127 7.990 0.137 25576 8212 1 16 . 1 1 3 3 ASP N N 3 122.355 122.355 120.522 1.833 25576 8213 1 16 . 1 1 3 3 ASP HA H 3 4.566 4.566 4.691 -0.125 25576 8214 1 16 . 1 1 3 3 ASP C C 3 176.445 176.445 176.824 -0.379 25576 8215 1 16 . 1 1 3 3 ASP CA C 3 54.819 54.819 54.338 0.481 25576 8216 1 16 . 1 1 3 3 ASP CB C 3 40.939 40.939 40.782 0.157 25576 8217 1 16 . 1 1 3 3 ASP H H 3 8.360 8.360 8.290 0.070 25576 8218 1 16 . 1 1 4 4 GLN N N 4 119.955 119.955 117.451 2.504 25576 8219 1 16 . 1 1 4 4 GLN HA H 4 4.262 4.262 4.176 0.086 25576 8220 1 16 . 1 1 4 4 GLN C C 4 176.138 176.138 176.166 -0.028 25576 8221 1 16 . 1 1 4 4 GLN CA C 4 55.933 55.933 56.425 -0.492 25576 8222 1 16 . 1 1 4 4 GLN CB C 4 29.411 29.411 28.808 0.603 25576 8223 1 16 . 1 1 4 4 GLN H H 4 8.250 8.250 8.204 0.046 25576 8224 1 16 . 1 1 5 5 GLU N N 5 121.392 121.392 120.425 0.967 25576 8225 1 16 . 1 1 5 5 GLU HA H 5 4.203 4.203 4.460 -0.257 25576 8226 1 16 . 1 1 5 5 GLU C C 5 176.137 176.137 175.301 0.836 25576 8227 1 16 . 1 1 5 5 GLU CA C 5 56.480 56.480 55.294 1.185 25576 8228 1 16 . 1 1 5 5 GLU CB C 5 30.261 30.261 30.618 -0.357 25576 8229 1 16 . 1 1 5 5 GLU H H 5 8.292 8.292 7.789 0.503 25576 8230 1 16 . 1 1 6 6 ALA N N 6 125.339 125.339 125.710 -0.371 25576 8231 1 16 . 1 1 6 6 ALA HA H 6 4.261 4.261 4.394 -0.133 25576 8232 1 16 . 1 1 6 6 ALA C C 6 177.348 177.348 177.075 0.273 25576 8233 1 16 . 1 1 6 6 ALA CA C 6 52.319 52.319 51.984 0.334 25576 8234 1 16 . 1 1 6 6 ALA CB C 6 19.120 19.120 18.826 0.294 25576 8235 1 16 . 1 1 6 6 ALA H H 6 8.253 8.253 8.274 -0.021 25576 8236 1 16 . 1 1 7 7 LYS N N 7 122.299 122.299 125.713 -3.414 25576 8237 1 16 . 1 1 7 7 LYS HA H 7 4.573 4.573 4.627 -0.054 25576 8238 1 16 . 1 1 7 7 LYS CA C 7 54.062 54.062 54.513 -0.451 25576 8239 1 16 . 1 1 7 7 LYS CB C 7 32.588 32.588 33.120 -0.532 25576 8240 1 16 . 1 1 7 7 LYS H H 7 8.302 8.302 8.220 0.082 25576 8241 1 16 . 1 1 8 8 PRO HA H 8 4.425 4.425 4.463 -0.038 25576 8242 1 16 . 1 1 8 8 PRO C C 8 177.020 177.020 176.821 0.199 25576 8243 1 16 . 1 1 8 8 PRO CA C 8 63.029 63.029 63.438 -0.409 25576 8244 1 16 . 1 1 8 8 PRO CB C 8 32.158 32.158 32.151 0.007 25576 8245 1 16 . 1 1 9 9 SER N N 9 116.888 116.888 117.434 -0.546 25576 8246 1 16 . 1 1 9 9 SER HA H 9 4.479 4.479 4.627 -0.148 25576 8247 1 16 . 1 1 9 9 SER C C 9 174.261 174.261 174.499 -0.238 25576 8248 1 16 . 1 1 9 9 SER CA C 9 58.299 58.299 57.169 1.130 25576 8249 1 16 . 1 1 9 9 SER CB C 9 63.848 63.848 63.894 -0.046 25576 8250 1 16 . 1 1 9 9 SER H H 9 8.596 8.596 7.769 0.827 25576 8251 1 16 . 1 1 10 10 THR N N 10 115.838 115.838 116.948 -1.110 25576 8252 1 16 . 1 1 10 10 THR HA H 10 4.334 4.334 4.142 0.192 25576 8253 1 16 . 1 1 10 10 THR C C 10 176.158 176.158 174.890 1.268 25576 8254 1 16 . 1 1 10 10 THR CA C 10 61.966 61.966 62.376 -0.410 25576 8255 1 16 . 1 1 10 10 THR CB C 10 69.581 69.581 69.620 -0.039 25576 8256 1 16 . 1 1 10 10 THR H H 10 8.247 8.247 8.537 -0.290 25576 8257 1 16 . 1 1 11 11 GLU N N 11 122.975 122.975 122.784 0.191 25576 8258 1 16 . 1 1 11 11 GLU HA H 11 4.237 4.237 4.084 0.153 25576 8259 1 16 . 1 1 11 11 GLU C C 11 175.920 175.920 175.464 0.456 25576 8260 1 16 . 1 1 11 11 GLU CA C 11 56.779 56.779 57.271 -0.492 25576 8261 1 16 . 1 1 11 11 GLU CB C 11 29.869 29.869 29.173 0.696 25576 8262 1 16 . 1 1 11 11 GLU H H 11 8.355 8.355 8.511 -0.156 25576 8263 1 16 . 1 1 12 12 ASP N N 12 122.117 122.117 123.565 -1.448 25576 8264 1 16 . 1 1 12 12 ASP HA H 12 4.562 4.562 5.025 -0.463 25576 8265 1 16 . 1 1 12 12 ASP C C 12 176.402 176.402 175.078 1.324 25576 8266 1 16 . 1 1 12 12 ASP CA C 12 54.224 54.224 53.629 0.595 25576 8267 1 16 . 1 1 12 12 ASP CB C 12 41.161 41.161 43.292 -2.131 25576 8268 1 16 . 1 1 12 12 ASP H H 12 8.411 8.411 8.305 0.106 25576 8269 1 16 . 1 1 13 13 LEU N N 13 123.695 123.695 117.771 5.924 25576 8270 1 16 . 1 1 13 13 LEU HA H 13 4.306 4.306 4.684 -0.378 25576 8271 1 16 . 1 1 13 13 LEU C C 13 178.231 178.231 175.380 2.851 25576 8272 1 16 . 1 1 13 13 LEU CA C 13 55.384 55.384 54.776 0.608 25576 8273 1 16 . 1 1 13 13 LEU CB C 13 42.132 42.132 43.416 -1.284 25576 8274 1 16 . 1 1 13 13 LEU H H 13 8.391 8.391 8.067 0.324 25576 8275 1 16 . 1 1 14 14 GLY N N 14 108.928 108.928 107.144 1.784 25576 8276 1 16 . 1 1 14 14 GLY C C 14 174.014 174.014 173.133 0.881 25576 8277 1 16 . 1 1 14 14 GLY CA C 14 45.600 45.600 44.999 0.601 25576 8278 1 16 . 1 1 14 14 GLY H H 14 8.456 8.456 8.656 -0.200 25576 8279 1 16 . 1 1 15 15 ASP N N 15 120.427 120.427 120.752 -0.325 25576 8280 1 16 . 1 1 15 15 ASP HA H 15 4.544 4.544 4.695 -0.151 25576 8281 1 16 . 1 1 15 15 ASP C C 15 176.810 176.810 176.458 0.352 25576 8282 1 16 . 1 1 15 15 ASP CA C 15 54.389 54.389 53.627 0.762 25576 8283 1 16 . 1 1 15 15 ASP CB C 15 41.153 41.153 41.400 -0.247 25576 8284 1 16 . 1 1 15 15 ASP H H 15 8.207 8.207 8.306 -0.099 25576 8285 1 16 . 1 1 16 16 LYS N N 16 121.257 121.257 119.902 1.355 25576 8286 1 16 . 1 1 16 16 LYS HA H 16 4.269 4.269 4.484 -0.215 25576 8287 1 16 . 1 1 16 16 LYS C C 16 176.470 176.470 176.336 0.134 25576 8288 1 16 . 1 1 16 16 LYS CA C 16 56.579 56.579 54.960 1.619 25576 8289 1 16 . 1 1 16 16 LYS CB C 16 29.470 29.470 33.206 -3.736 25576 8290 1 16 . 1 1 16 16 LYS H H 16 8.302 8.302 7.598 0.704 25576 8291 1 16 . 1 1 17 17 LYS N N 17 122.205 122.205 121.517 0.688 25576 8292 1 16 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.413 -0.146 25576 8293 1 16 . 1 1 17 17 LYS C C 17 176.837 176.837 176.008 0.829 25576 8294 1 16 . 1 1 17 17 LYS CA C 17 56.177 56.177 56.092 0.085 25576 8295 1 16 . 1 1 17 17 LYS CB C 17 32.684 32.684 33.403 -0.719 25576 8296 1 16 . 1 1 17 17 LYS H H 17 8.383 8.383 8.365 0.018 25576 8297 1 16 . 1 1 18 18 GLU N N 18 121.859 121.859 116.053 5.806 25576 8298 1 16 . 1 1 18 18 GLU HA H 18 4.252 4.252 4.389 -0.137 25576 8299 1 16 . 1 1 18 18 GLU C C 18 176.964 176.964 175.163 1.801 25576 8300 1 16 . 1 1 18 18 GLU CA C 18 57.094 57.094 55.837 1.257 25576 8301 1 16 . 1 1 18 18 GLU CB C 18 30.261 30.261 31.458 -1.197 25576 8302 1 16 . 1 1 18 18 GLU H H 18 8.497 8.497 8.521 -0.024 25576 8303 1 16 . 1 1 19 19 GLY N N 19 109.716 109.716 108.082 1.634 25576 8304 1 16 . 1 1 19 19 GLY C C 19 173.520 173.520 174.257 -0.737 25576 8305 1 16 . 1 1 19 19 GLY CA C 19 45.386 45.386 45.389 -0.003 25576 8306 1 16 . 1 1 19 19 GLY H H 19 8.447 8.447 8.607 -0.160 25576 8307 1 16 . 1 1 20 20 GLU N N 20 119.640 119.640 118.197 1.443 25576 8308 1 16 . 1 1 20 20 GLU HA H 20 4.255 4.255 3.919 0.336 25576 8309 1 16 . 1 1 20 20 GLU C C 20 175.453 175.453 175.218 0.235 25576 8310 1 16 . 1 1 20 20 GLU CA C 20 56.726 56.726 57.501 -0.775 25576 8311 1 16 . 1 1 20 20 GLU CB C 20 30.806 30.806 27.899 2.907 25576 8312 1 16 . 1 1 20 20 GLU H H 20 8.227 8.227 8.725 -0.498 25576 8313 1 16 . 1 1 21 21 TYR N N 21 119.301 119.301 114.609 4.692 25576 8314 1 16 . 1 1 21 21 TYR HA H 21 5.083 5.083 4.668 0.415 25576 8315 1 16 . 1 1 21 21 TYR C C 21 175.805 175.805 174.295 1.510 25576 8316 1 16 . 1 1 21 21 TYR CA C 21 57.427 57.427 56.163 1.264 25576 8317 1 16 . 1 1 21 21 TYR CB C 21 41.620 41.620 40.469 1.151 25576 8318 1 16 . 1 1 21 21 TYR H H 21 8.367 8.367 7.109 1.258 25576 8319 1 16 . 1 1 22 22 ILE N N 22 116.642 116.642 114.970 1.672 25576 8320 1 16 . 1 1 22 22 ILE HA H 22 4.787 4.787 4.864 -0.077 25576 8321 1 16 . 1 1 22 22 ILE C C 22 173.467 173.467 174.179 -0.712 25576 8322 1 16 . 1 1 22 22 ILE CA C 22 59.685 59.685 59.465 0.220 25576 8323 1 16 . 1 1 22 22 ILE CB C 22 42.383 42.383 41.954 0.429 25576 8324 1 16 . 1 1 22 22 ILE H H 22 9.151 9.151 9.198 -0.047 25576 8325 1 16 . 1 1 23 23 LYS N N 23 124.306 124.306 119.691 4.615 25576 8326 1 16 . 1 1 23 23 LYS HA H 23 5.289 5.289 5.228 0.061 25576 8327 1 16 . 1 1 23 23 LYS C C 23 175.553 175.553 175.400 0.153 25576 8328 1 16 . 1 1 23 23 LYS CA C 23 55.629 55.629 55.308 0.321 25576 8329 1 16 . 1 1 23 23 LYS CB C 23 33.744 33.744 35.012 -1.268 25576 8330 1 16 . 1 1 23 23 LYS H H 23 8.623 8.623 8.288 0.335 25576 8331 1 16 . 1 1 24 24 LEU N N 24 124.177 124.177 121.736 2.441 25576 8332 1 16 . 1 1 24 24 LEU HA H 24 4.974 4.974 5.182 -0.208 25576 8333 1 16 . 1 1 24 24 LEU C C 24 175.910 175.910 174.419 1.491 25576 8334 1 16 . 1 1 24 24 LEU CA C 24 52.835 52.835 53.852 -1.017 25576 8335 1 16 . 1 1 24 24 LEU CB C 24 46.661 46.661 46.962 -0.300 25576 8336 1 16 . 1 1 24 24 LEU H H 24 8.940 8.940 8.917 0.023 25576 8337 1 16 . 1 1 25 25 LYS N N 25 120.635 120.635 120.421 0.214 25576 8338 1 16 . 1 1 25 25 LYS HA H 25 4.714 4.714 4.734 -0.020 25576 8339 1 16 . 1 1 25 25 LYS C C 25 174.125 174.125 174.024 0.101 25576 8340 1 16 . 1 1 25 25 LYS CA C 25 55.122 55.122 53.649 1.473 25576 8341 1 16 . 1 1 25 25 LYS CB C 25 34.919 34.919 36.416 -1.497 25576 8342 1 16 . 1 1 25 25 LYS H H 25 8.621 8.621 8.593 0.028 25576 8343 1 16 . 1 1 26 26 VAL N N 26 124.130 124.130 124.389 -0.259 25576 8344 1 16 . 1 1 26 26 VAL HA H 26 5.043 5.043 4.614 0.429 25576 8345 1 16 . 1 1 26 26 VAL C C 26 176.195 176.195 174.133 2.062 25576 8346 1 16 . 1 1 26 26 VAL CA C 26 61.193 61.193 60.184 1.009 25576 8347 1 16 . 1 1 26 26 VAL CB C 26 32.270 32.270 35.433 -3.163 25576 8348 1 16 . 1 1 26 26 VAL H H 26 9.113 9.113 8.605 0.508 25576 8349 1 16 . 1 1 27 27 ILE N N 27 128.245 128.245 126.331 1.914 25576 8350 1 16 . 1 1 27 27 ILE HA H 27 5.012 5.012 4.386 0.626 25576 8351 1 16 . 1 1 27 27 ILE C C 27 175.976 175.976 175.173 0.803 25576 8352 1 16 . 1 1 27 27 ILE CA C 27 59.910 59.910 58.634 1.276 25576 8353 1 16 . 1 1 27 27 ILE CB C 27 39.851 39.851 37.699 2.152 25576 8354 1 16 . 1 1 27 27 ILE H H 27 9.063 9.063 8.245 0.818 25576 8355 1 16 . 1 1 28 28 GLY N N 28 113.332 113.332 112.323 1.009 25576 8356 1 16 . 1 1 28 28 GLY C C 28 175.505 175.505 175.713 -0.208 25576 8357 1 16 . 1 1 28 28 GLY CA C 28 43.958 43.958 44.114 -0.156 25576 8358 1 16 . 1 1 28 28 GLY H H 28 8.485 8.485 8.038 0.447 25576 8359 1 16 . 1 1 29 29 GLN N N 29 120.493 120.493 117.954 2.539 25576 8360 1 16 . 1 1 29 29 GLN HA H 29 4.113 4.113 4.248 -0.135 25576 8361 1 16 . 1 1 29 29 GLN C C 29 176.003 176.003 176.895 -0.892 25576 8362 1 16 . 1 1 29 29 GLN CA C 29 57.808 57.808 57.938 -0.131 25576 8363 1 16 . 1 1 29 29 GLN CB C 29 28.735 28.735 28.975 -0.240 25576 8364 1 16 . 1 1 29 29 GLN H H 29 8.768 8.768 8.849 -0.081 25576 8365 1 16 . 1 1 30 30 ASP N N 30 118.342 118.342 116.616 1.726 25576 8366 1 16 . 1 1 30 30 ASP HA H 30 4.537 4.537 4.710 -0.173 25576 8367 1 16 . 1 1 30 30 ASP C C 30 176.461 176.461 175.544 0.917 25576 8368 1 16 . 1 1 30 30 ASP CA C 30 53.271 53.271 53.543 -0.272 25576 8369 1 16 . 1 1 30 30 ASP CB C 30 39.867 39.867 41.035 -1.168 25576 8370 1 16 . 1 1 30 30 ASP H H 30 8.335 8.335 8.216 0.119 25576 8371 1 16 . 1 1 31 31 SER N N 31 111.069 111.069 112.238 -1.169 25576 8372 1 16 . 1 1 31 31 SER HA H 31 4.044 4.044 4.121 -0.077 25576 8373 1 16 . 1 1 31 31 SER C C 31 173.554 173.554 173.426 0.128 25576 8374 1 16 . 1 1 31 31 SER CA C 31 60.529 60.529 59.314 1.215 25576 8375 1 16 . 1 1 31 31 SER CB C 31 62.268 62.268 61.846 0.422 25576 8376 1 16 . 1 1 31 31 SER H H 31 7.997 7.997 7.789 0.208 25576 8377 1 16 . 1 1 32 32 SER N N 32 117.489 117.489 116.714 0.775 25576 8378 1 16 . 1 1 32 32 SER HA H 32 4.380 4.380 4.319 0.061 25576 8379 1 16 . 1 1 32 32 SER C C 32 173.550 173.550 174.727 -1.177 25576 8380 1 16 . 1 1 32 32 SER CA C 32 58.590 58.590 58.930 -0.340 25576 8381 1 16 . 1 1 32 32 SER CB C 32 64.008 64.008 63.509 0.499 25576 8382 1 16 . 1 1 32 32 SER H H 32 8.081 8.081 7.969 0.112 25576 8383 1 16 . 1 1 33 33 GLU N N 33 121.738 121.738 129.704 -7.966 25576 8384 1 16 . 1 1 33 33 GLU HA H 33 5.131 5.131 5.161 -0.030 25576 8385 1 16 . 1 1 33 33 GLU C C 33 175.317 175.317 176.113 -0.796 25576 8386 1 16 . 1 1 33 33 GLU CA C 33 55.212 55.212 55.820 -0.608 25576 8387 1 16 . 1 1 33 33 GLU CB C 33 32.596 32.596 30.015 2.581 25576 8388 1 16 . 1 1 33 33 GLU H H 33 8.616 8.616 8.348 0.268 25576 8389 1 16 . 1 1 34 34 ILE N N 34 124.389 124.389 124.531 -0.142 25576 8390 1 16 . 1 1 34 34 ILE HA H 34 4.359 4.359 4.457 -0.098 25576 8391 1 16 . 1 1 34 34 ILE C C 34 174.612 174.612 175.139 -0.527 25576 8392 1 16 . 1 1 34 34 ILE CA C 34 60.266 60.266 59.655 0.611 25576 8393 1 16 . 1 1 34 34 ILE CB C 34 40.906 40.906 39.903 1.003 25576 8394 1 16 . 1 1 34 34 ILE H H 34 8.670 8.670 8.287 0.383 25576 8395 1 16 . 1 1 35 35 HIS N N 35 125.683 125.683 124.212 1.471 25576 8396 1 16 . 1 1 35 35 HIS HA H 35 5.597 5.597 4.826 0.771 25576 8397 1 16 . 1 1 35 35 HIS C C 35 174.902 174.902 174.543 0.359 25576 8398 1 16 . 1 1 35 35 HIS CA C 35 54.765 54.765 54.080 0.685 25576 8399 1 16 . 1 1 35 35 HIS CB C 35 32.411 32.411 32.483 -0.072 25576 8400 1 16 . 1 1 35 35 HIS H H 35 8.699 8.699 8.618 0.081 25576 8401 1 16 . 1 1 36 36 PHE N N 36 119.920 119.920 120.248 -0.328 25576 8402 1 16 . 1 1 36 36 PHE HA H 36 4.949 4.949 5.016 -0.067 25576 8403 1 16 . 1 1 36 36 PHE C C 36 174.000 174.000 173.210 0.790 25576 8404 1 16 . 1 1 36 36 PHE CA C 36 57.003 57.003 55.987 1.016 25576 8405 1 16 . 1 1 36 36 PHE CB C 36 44.431 44.431 41.508 2.923 25576 8406 1 16 . 1 1 36 36 PHE H H 36 9.103 9.103 7.982 1.121 25576 8407 1 16 . 1 1 37 37 LYS N N 37 123.747 123.747 121.143 2.604 25576 8408 1 16 . 1 1 37 37 LYS HA H 37 4.294 4.294 5.277 -0.983 25576 8409 1 16 . 1 1 37 37 LYS C C 37 176.145 176.145 175.258 0.887 25576 8410 1 16 . 1 1 37 37 LYS CA C 37 55.448 55.448 55.346 0.102 25576 8411 1 16 . 1 1 37 37 LYS CB C 37 33.467 33.467 34.218 -0.751 25576 8412 1 16 . 1 1 37 37 LYS H H 37 8.787 8.787 8.441 0.346 25576 8413 1 16 . 1 1 38 38 VAL N N 38 119.736 119.736 117.188 2.548 25576 8414 1 16 . 1 1 38 38 VAL HA H 38 4.957 4.957 4.590 0.367 25576 8415 1 16 . 1 1 38 38 VAL C C 38 174.245 174.245 173.987 0.258 25576 8416 1 16 . 1 1 38 38 VAL CA C 38 58.935 58.935 59.114 -0.178 25576 8417 1 16 . 1 1 38 38 VAL CB C 38 35.429 35.429 35.758 -0.329 25576 8418 1 16 . 1 1 38 38 VAL H H 38 9.138 9.138 8.952 0.186 25576 8419 1 16 . 1 1 39 39 LYS N N 39 122.359 122.359 120.160 2.199 25576 8420 1 16 . 1 1 39 39 LYS HA H 39 3.837 3.837 4.557 -0.720 25576 8421 1 16 . 1 1 39 39 LYS C C 39 179.383 179.383 177.421 1.962 25576 8422 1 16 . 1 1 39 39 LYS CA C 39 56.814 56.814 55.870 0.944 25576 8423 1 16 . 1 1 39 39 LYS CB C 39 30.576 30.576 34.234 -3.658 25576 8424 1 16 . 1 1 39 39 LYS H H 39 8.611 8.611 8.421 0.190 25576 8425 1 16 . 1 1 40 40 MET N N 40 119.929 119.929 119.915 0.014 25576 8426 1 16 . 1 1 40 40 MET HA H 40 4.103 4.103 4.395 -0.292 25576 8427 1 16 . 1 1 40 40 MET C C 40 176.546 176.546 176.973 -0.427 25576 8428 1 16 . 1 1 40 40 MET CA C 40 57.320 57.320 58.640 -1.320 25576 8429 1 16 . 1 1 40 40 MET CB C 40 30.903 30.903 32.843 -1.940 25576 8430 1 16 . 1 1 40 40 MET H H 40 8.562 8.562 9.197 -0.635 25576 8431 1 16 . 1 1 41 41 THR N N 41 100.263 100.263 109.970 -9.707 25576 8432 1 16 . 1 1 41 41 THR HA H 41 4.349 4.349 4.335 0.014 25576 8433 1 16 . 1 1 41 41 THR C C 41 174.506 174.506 174.138 0.368 25576 8434 1 16 . 1 1 41 41 THR CA C 41 60.147 60.147 61.890 -1.743 25576 8435 1 16 . 1 1 41 41 THR CB C 41 68.836 68.836 68.241 0.595 25576 8436 1 16 . 1 1 41 41 THR H H 41 6.974 6.974 7.937 -0.963 25576 8437 1 16 . 1 1 42 42 THR N N 42 120.616 120.616 116.109 4.507 25576 8438 1 16 . 1 1 42 42 THR HA H 42 4.187 4.187 4.380 -0.193 25576 8439 1 16 . 1 1 42 42 THR C C 42 174.052 174.052 172.700 1.352 25576 8440 1 16 . 1 1 42 42 THR CA C 42 63.153 63.153 60.266 2.888 25576 8441 1 16 . 1 1 42 42 THR CB C 42 69.645 69.645 70.199 -0.554 25576 8442 1 16 . 1 1 42 42 THR H H 42 7.192 7.192 7.358 -0.166 25576 8443 1 16 . 1 1 43 43 HIS N N 43 126.236 126.236 119.918 6.318 25576 8444 1 16 . 1 1 43 43 HIS HA H 43 4.411 4.411 4.598 -0.187 25576 8445 1 16 . 1 1 43 43 HIS C C 43 178.431 178.431 176.498 1.933 25576 8446 1 16 . 1 1 43 43 HIS CA C 43 57.366 57.366 56.071 1.295 25576 8447 1 16 . 1 1 43 43 HIS CB C 43 30.155 30.155 31.018 -0.863 25576 8448 1 16 . 1 1 43 43 HIS H H 43 8.807 8.807 8.511 0.296 25576 8449 1 16 . 1 1 44 44 LEU N N 44 124.757 124.757 123.648 1.109 25576 8450 1 16 . 1 1 44 44 LEU HA H 44 3.983 3.983 4.221 -0.237 25576 8451 1 16 . 1 1 44 44 LEU C C 44 177.051 177.051 177.920 -0.869 25576 8452 1 16 . 1 1 44 44 LEU CA C 44 58.790 58.790 55.203 3.587 25576 8453 1 16 . 1 1 44 44 LEU CB C 44 41.240 41.240 41.062 0.178 25576 8454 1 16 . 1 1 44 44 LEU H H 44 9.349 9.349 9.064 0.285 25576 8455 1 16 . 1 1 45 45 LYS N N 45 121.424 121.424 119.138 2.286 25576 8456 1 16 . 1 1 45 45 LYS HA H 45 3.584 3.584 3.886 -0.302 25576 8457 1 16 . 1 1 45 45 LYS C C 45 176.867 176.867 178.156 -1.289 25576 8458 1 16 . 1 1 45 45 LYS CA C 45 60.662 60.662 59.098 1.564 25576 8459 1 16 . 1 1 45 45 LYS CB C 45 33.389 33.389 31.258 2.131 25576 8460 1 16 . 1 1 45 45 LYS H H 45 8.543 8.543 7.710 0.833 25576 8461 1 16 . 1 1 46 46 LYS N N 46 114.033 114.033 118.804 -4.771 25576 8462 1 16 . 1 1 46 46 LYS HA H 46 4.087 4.087 3.997 0.090 25576 8463 1 16 . 1 1 46 46 LYS C C 46 178.977 178.977 177.992 0.985 25576 8464 1 16 . 1 1 46 46 LYS CA C 46 58.615 58.615 58.970 -0.355 25576 8465 1 16 . 1 1 46 46 LYS CB C 46 31.643 31.643 31.857 -0.214 25576 8466 1 16 . 1 1 46 46 LYS H H 46 7.517 7.517 7.517 -0.000 25576 8467 1 16 . 1 1 47 47 LEU N N 47 121.871 121.871 121.309 0.562 25576 8468 1 16 . 1 1 47 47 LEU HA H 47 3.660 3.660 3.793 -0.133 25576 8469 1 16 . 1 1 47 47 LEU C C 47 177.575 177.575 178.097 -0.522 25576 8470 1 16 . 1 1 47 47 LEU CA C 47 58.514 58.514 57.515 0.999 25576 8471 1 16 . 1 1 47 47 LEU CB C 47 41.890 41.890 41.731 0.159 25576 8472 1 16 . 1 1 47 47 LEU H H 47 6.739 6.739 7.171 -0.432 25576 8473 1 16 . 1 1 48 48 LYS N N 48 118.246 118.246 118.571 -0.325 25576 8474 1 16 . 1 1 48 48 LYS HA H 48 3.081 3.081 4.152 -1.071 25576 8475 1 16 . 1 1 48 48 LYS C C 48 178.700 178.700 178.709 -0.009 25576 8476 1 16 . 1 1 48 48 LYS CA C 48 59.712 59.712 59.603 0.109 25576 8477 1 16 . 1 1 48 48 LYS CB C 48 32.411 32.411 31.606 0.805 25576 8478 1 16 . 1 1 48 48 LYS H H 48 7.556 7.556 8.281 -0.726 25576 8479 1 16 . 1 1 49 49 GLU N N 49 118.092 118.092 119.092 -1.000 25576 8480 1 16 . 1 1 49 49 GLU HA H 49 3.973 3.973 3.990 -0.017 25576 8481 1 16 . 1 1 49 49 GLU C C 49 179.453 179.453 178.902 0.551 25576 8482 1 16 . 1 1 49 49 GLU CA C 49 59.627 59.627 58.857 0.770 25576 8483 1 16 . 1 1 49 49 GLU CB C 49 30.120 30.120 28.701 1.419 25576 8484 1 16 . 1 1 49 49 GLU H H 49 8.500 8.500 8.211 0.288 25576 8485 1 16 . 1 1 50 50 SER N N 50 115.646 115.646 116.865 -1.219 25576 8486 1 16 . 1 1 50 50 SER HA H 50 4.260 4.260 4.173 0.087 25576 8487 1 16 . 1 1 50 50 SER C C 50 177.171 177.171 176.584 0.587 25576 8488 1 16 . 1 1 50 50 SER CA C 50 61.947 61.947 62.056 -0.109 25576 8489 1 16 . 1 1 50 50 SER CB C 50 63.258 63.258 63.169 0.089 25576 8490 1 16 . 1 1 50 50 SER H H 50 7.966 7.966 7.661 0.305 25576 8491 1 16 . 1 1 51 51 TYR N N 51 122.610 122.610 120.326 2.284 25576 8492 1 16 . 1 1 51 51 TYR HA H 51 4.026 4.026 4.508 -0.482 25576 8493 1 16 . 1 1 51 51 TYR C C 51 177.374 177.374 177.192 0.182 25576 8494 1 16 . 1 1 51 51 TYR CA C 51 63.608 63.608 60.128 3.480 25576 8495 1 16 . 1 1 51 51 TYR CB C 51 38.618 38.618 37.756 0.862 25576 8496 1 16 . 1 1 51 51 TYR H H 51 8.833 8.833 8.055 0.778 25576 8497 1 16 . 1 1 52 52 CYS N N 52 117.395 117.395 119.776 -2.381 25576 8498 1 16 . 1 1 52 52 CYS HA H 52 3.915 3.915 3.760 0.155 25576 8499 1 16 . 1 1 52 52 CYS C C 52 177.182 177.182 176.619 0.563 25576 8500 1 16 . 1 1 52 52 CYS CA C 52 65.108 65.108 64.438 0.671 25576 8501 1 16 . 1 1 52 52 CYS CB C 52 26.151 26.151 27.104 -0.953 25576 8502 1 16 . 1 1 52 52 CYS H H 52 8.676 8.676 7.338 1.338 25576 8503 1 16 . 1 1 53 53 GLN N N 53 119.196 119.196 118.853 0.343 25576 8504 1 16 . 1 1 53 53 GLN HA H 53 4.109 4.109 3.972 0.137 25576 8505 1 16 . 1 1 53 53 GLN C C 53 179.105 179.105 178.208 0.897 25576 8506 1 16 . 1 1 53 53 GLN CA C 53 58.973 58.973 58.343 0.630 25576 8507 1 16 . 1 1 53 53 GLN CB C 53 28.211 28.211 27.919 0.292 25576 8508 1 16 . 1 1 53 53 GLN H H 53 8.322 8.322 8.005 0.317 25576 8509 1 16 . 1 1 54 54 ARG N N 54 120.139 120.139 118.521 1.618 25576 8510 1 16 . 1 1 54 54 ARG HA H 54 4.018 4.018 4.084 -0.066 25576 8511 1 16 . 1 1 54 54 ARG C C 54 178.300 178.300 178.023 0.277 25576 8512 1 16 . 1 1 54 54 ARG CA C 54 58.552 58.552 58.308 0.244 25576 8513 1 16 . 1 1 54 54 ARG CB C 54 29.669 29.669 29.993 -0.324 25576 8514 1 16 . 1 1 54 54 ARG H H 54 8.011 8.011 7.650 0.361 25576 8515 1 16 . 1 1 55 55 GLN N N 55 114.160 114.160 115.399 -1.239 25576 8516 1 16 . 1 1 55 55 GLN HA H 55 4.251 4.251 4.340 -0.089 25576 8517 1 16 . 1 1 55 55 GLN C C 55 176.410 176.410 177.002 -0.592 25576 8518 1 16 . 1 1 55 55 GLN CA C 55 55.119 55.119 57.192 -2.073 25576 8519 1 16 . 1 1 55 55 GLN CB C 55 29.424 29.424 29.697 -0.273 25576 8520 1 16 . 1 1 55 55 GLN H H 55 7.806 7.806 7.725 0.081 25576 8521 1 16 . 1 1 56 56 GLY N N 56 109.749 109.749 107.563 2.186 25576 8522 1 16 . 1 1 56 56 GLY C C 56 174.908 174.908 173.988 0.920 25576 8523 1 16 . 1 1 56 56 GLY CA C 56 46.658 46.658 45.231 1.427 25576 8524 1 16 . 1 1 56 56 GLY H H 56 7.932 7.932 7.730 0.202 25576 8525 1 16 . 1 1 57 57 VAL N N 57 111.990 111.990 115.580 -3.590 25576 8526 1 16 . 1 1 57 57 VAL HA H 57 4.941 4.941 4.653 0.288 25576 8527 1 16 . 1 1 57 57 VAL CA C 57 57.534 57.534 58.173 -0.639 25576 8528 1 16 . 1 1 57 57 VAL CB C 57 32.697 32.697 33.919 -1.222 25576 8529 1 16 . 1 1 57 57 VAL H H 57 7.651 7.651 7.545 0.106 25576 8530 1 16 . 1 1 58 58 PRO HA H 58 4.528 4.528 4.593 -0.065 25576 8531 1 16 . 1 1 58 58 PRO C C 58 179.169 179.169 177.019 2.150 25576 8532 1 16 . 1 1 58 58 PRO CA C 58 62.211 62.211 62.952 -0.741 25576 8533 1 16 . 1 1 58 58 PRO CB C 58 32.543 32.543 32.649 -0.106 25576 8534 1 16 . 1 1 59 59 MET N N 59 124.522 124.522 118.554 5.968 25576 8535 1 16 . 1 1 59 59 MET HA H 59 4.703 4.703 4.222 0.481 25576 8536 1 16 . 1 1 59 59 MET C C 59 177.459 177.459 175.854 1.605 25576 8537 1 16 . 1 1 59 59 MET CA C 59 58.247 58.247 57.744 0.503 25576 8538 1 16 . 1 1 59 59 MET CB C 59 32.795 32.795 32.464 0.331 25576 8539 1 16 . 1 1 59 59 MET H H 59 9.002 9.002 8.533 0.469 25576 8540 1 16 . 1 1 60 60 ASN N N 60 113.185 113.185 112.685 0.500 25576 8541 1 16 . 1 1 60 60 ASN HA H 60 4.673 4.673 4.645 0.028 25576 8542 1 16 . 1 1 60 60 ASN C C 60 175.674 175.674 175.753 -0.079 25576 8543 1 16 . 1 1 60 60 ASN CA C 60 53.935 53.935 53.963 -0.028 25576 8544 1 16 . 1 1 60 60 ASN CB C 60 37.217 37.217 38.425 -1.208 25576 8545 1 16 . 1 1 60 60 ASN H H 60 8.424 8.424 8.122 0.302 25576 8546 1 16 . 1 1 61 61 SER N N 61 113.092 113.092 115.113 -2.021 25576 8547 1 16 . 1 1 61 61 SER HA H 61 4.500 4.500 4.422 0.078 25576 8548 1 16 . 1 1 61 61 SER C C 61 173.455 173.455 173.149 0.306 25576 8549 1 16 . 1 1 61 61 SER CA C 61 59.609 59.609 60.261 -0.652 25576 8550 1 16 . 1 1 61 61 SER CB C 61 64.812 64.812 64.127 0.685 25576 8551 1 16 . 1 1 61 61 SER H H 61 7.931 7.931 7.826 0.105 25576 8552 1 16 . 1 1 62 62 LEU N N 62 120.961 120.961 116.016 4.945 25576 8553 1 16 . 1 1 62 62 LEU HA H 62 5.109 5.109 4.964 0.145 25576 8554 1 16 . 1 1 62 62 LEU C C 62 175.588 175.588 175.481 0.107 25576 8555 1 16 . 1 1 62 62 LEU CA C 62 53.575 53.575 52.834 0.741 25576 8556 1 16 . 1 1 62 62 LEU CB C 62 46.262 46.262 44.861 1.401 25576 8557 1 16 . 1 1 62 62 LEU H H 62 7.265 7.265 7.347 -0.082 25576 8558 1 16 . 1 1 63 63 ARG N N 63 120.142 120.142 119.441 0.701 25576 8559 1 16 . 1 1 63 63 ARG HA H 63 4.668 4.668 4.302 0.366 25576 8560 1 16 . 1 1 63 63 ARG C C 63 172.784 172.784 174.795 -2.011 25576 8561 1 16 . 1 1 63 63 ARG CA C 63 54.488 54.488 54.826 -0.338 25576 8562 1 16 . 1 1 63 63 ARG CB C 63 33.111 33.111 32.541 0.570 25576 8563 1 16 . 1 1 63 63 ARG H H 63 8.993 8.993 9.000 -0.007 25576 8564 1 16 . 1 1 64 64 PHE N N 64 122.537 122.537 122.766 -0.229 25576 8565 1 16 . 1 1 64 64 PHE HA H 64 4.959 4.959 5.567 -0.608 25576 8566 1 16 . 1 1 64 64 PHE C C 64 174.150 174.150 174.424 -0.274 25576 8567 1 16 . 1 1 64 64 PHE CA C 64 56.347 56.347 54.812 1.535 25576 8568 1 16 . 1 1 64 64 PHE CB C 64 40.762 40.762 39.698 1.064 25576 8569 1 16 . 1 1 64 64 PHE H H 64 8.923 8.923 8.069 0.854 25576 8570 1 16 . 1 1 65 65 LEU N N 65 124.212 124.212 119.749 4.463 25576 8571 1 16 . 1 1 65 65 LEU HA H 65 5.290 5.290 5.712 -0.422 25576 8572 1 16 . 1 1 65 65 LEU C C 65 175.903 175.903 174.333 1.570 25576 8573 1 16 . 1 1 65 65 LEU CA C 65 53.729 53.729 53.705 0.024 25576 8574 1 16 . 1 1 65 65 LEU CB C 65 46.385 46.385 46.151 0.234 25576 8575 1 16 . 1 1 65 65 LEU H H 65 9.738 9.738 9.168 0.570 25576 8576 1 16 . 1 1 66 66 PHE N N 66 119.384 119.384 121.289 -1.905 25576 8577 1 16 . 1 1 66 66 PHE HA H 66 5.202 5.202 5.006 0.196 25576 8578 1 16 . 1 1 66 66 PHE C C 66 175.017 175.017 174.780 0.237 25576 8579 1 16 . 1 1 66 66 PHE CA C 66 56.291 56.291 57.255 -0.964 25576 8580 1 16 . 1 1 66 66 PHE CB C 66 41.700 41.700 42.661 -0.961 25576 8581 1 16 . 1 1 66 66 PHE H H 66 8.968 8.968 9.078 -0.110 25576 8582 1 16 . 1 1 67 67 GLU N N 67 129.196 129.196 124.859 4.337 25576 8583 1 16 . 1 1 67 67 GLU HA H 67 3.540 3.540 3.586 -0.046 25576 8584 1 16 . 1 1 67 67 GLU C C 67 176.778 176.778 176.076 0.702 25576 8585 1 16 . 1 1 67 67 GLU CA C 67 56.769 56.769 56.798 -0.029 25576 8586 1 16 . 1 1 67 67 GLU CB C 67 26.897 26.897 27.342 -0.445 25576 8587 1 16 . 1 1 67 67 GLU H H 67 9.381 9.381 8.803 0.578 25576 8588 1 16 . 1 1 68 68 GLY N N 68 103.263 103.263 105.162 -1.899 25576 8589 1 16 . 1 1 68 68 GLY C C 68 173.651 173.651 173.173 0.478 25576 8590 1 16 . 1 1 68 68 GLY CA C 68 45.476 45.476 44.896 0.580 25576 8591 1 16 . 1 1 68 68 GLY H H 68 8.858 8.858 8.247 0.611 25576 8592 1 16 . 1 1 69 69 GLN N N 69 120.732 120.732 118.670 2.062 25576 8593 1 16 . 1 1 69 69 GLN HA H 69 4.589 4.589 4.705 -0.116 25576 8594 1 16 . 1 1 69 69 GLN C C 69 175.204 175.204 174.571 0.633 25576 8595 1 16 . 1 1 69 69 GLN CA C 69 53.776 53.776 54.038 -0.263 25576 8596 1 16 . 1 1 69 69 GLN CB C 69 30.660 30.660 31.986 -1.326 25576 8597 1 16 . 1 1 69 69 GLN H H 69 7.996 7.996 8.064 -0.068 25576 8598 1 16 . 1 1 70 70 ARG N N 70 125.102 125.102 123.616 1.486 25576 8599 1 16 . 1 1 70 70 ARG HA H 70 4.395 4.395 4.651 -0.256 25576 8600 1 16 . 1 1 70 70 ARG C C 70 177.004 177.004 175.943 1.061 25576 8601 1 16 . 1 1 70 70 ARG CA C 70 57.305 57.305 56.565 0.740 25576 8602 1 16 . 1 1 70 70 ARG CB C 70 30.511 30.511 31.106 -0.595 25576 8603 1 16 . 1 1 70 70 ARG H H 70 8.823 8.823 8.787 0.036 25576 8604 1 16 . 1 1 71 71 ILE N N 71 126.949 126.949 122.591 4.358 25576 8605 1 16 . 1 1 71 71 ILE HA H 71 4.477 4.477 4.528 -0.051 25576 8606 1 16 . 1 1 71 71 ILE C C 71 176.145 176.145 175.320 0.825 25576 8607 1 16 . 1 1 71 71 ILE CA C 71 61.337 61.337 58.978 2.359 25576 8608 1 16 . 1 1 71 71 ILE CB C 71 39.067 39.067 36.678 2.389 25576 8609 1 16 . 1 1 71 71 ILE H H 71 9.020 9.020 8.610 0.410 25576 8610 1 16 . 1 1 72 72 ALA N N 72 139.307 139.307 131.034 8.273 25576 8611 1 16 . 1 1 72 72 ALA HA H 72 4.334 4.334 4.467 -0.133 25576 8612 1 16 . 1 1 72 72 ALA C C 72 177.973 177.973 178.182 -0.209 25576 8613 1 16 . 1 1 72 72 ALA CA C 72 50.785 50.785 50.217 0.568 25576 8614 1 16 . 1 1 72 72 ALA CB C 72 18.407 18.407 21.026 -2.619 25576 8615 1 16 . 1 1 72 72 ALA H H 72 10.910 10.910 8.165 2.745 25576 8616 1 16 . 1 1 73 73 ASP N N 73 120.493 120.493 119.030 1.463 25576 8617 1 16 . 1 1 73 73 ASP HA H 73 3.823 3.823 4.262 -0.439 25576 8618 1 16 . 1 1 73 73 ASP C C 73 176.104 176.104 176.576 -0.472 25576 8619 1 16 . 1 1 73 73 ASP CA C 73 57.113 57.113 57.020 0.093 25576 8620 1 16 . 1 1 73 73 ASP CB C 73 40.032 40.032 40.794 -0.762 25576 8621 1 16 . 1 1 73 73 ASP H H 73 8.770 8.770 8.608 0.162 25576 8622 1 16 . 1 1 74 74 ASN N N 74 109.526 109.526 114.235 -4.709 25576 8623 1 16 . 1 1 74 74 ASN HA H 74 4.245 4.245 4.164 0.081 25576 8624 1 16 . 1 1 74 74 ASN C C 74 176.050 176.050 174.433 1.617 25576 8625 1 16 . 1 1 74 74 ASN CA C 74 52.073 52.073 52.619 -0.546 25576 8626 1 16 . 1 1 74 74 ASN CB C 74 37.343 37.343 38.430 -1.087 25576 8627 1 16 . 1 1 74 74 ASN H H 74 7.738 7.738 8.061 -0.323 25576 8628 1 16 . 1 1 75 75 HIS N N 75 119.821 119.821 119.692 0.129 25576 8629 1 16 . 1 1 75 75 HIS HA H 75 4.908 4.908 4.641 0.267 25576 8630 1 16 . 1 1 75 75 HIS C C 75 175.680 175.680 174.202 1.478 25576 8631 1 16 . 1 1 75 75 HIS CA C 75 56.606 56.606 55.559 1.047 25576 8632 1 16 . 1 1 75 75 HIS CB C 75 33.549 33.549 31.362 2.187 25576 8633 1 16 . 1 1 75 75 HIS H H 75 7.149 7.149 7.430 -0.281 25576 8634 1 16 . 1 1 76 76 THR N N 76 108.304 108.304 114.055 -5.751 25576 8635 1 16 . 1 1 76 76 THR HA H 76 5.197 5.197 5.242 -0.045 25576 8636 1 16 . 1 1 76 76 THR CA C 76 57.594 57.594 57.500 0.094 25576 8637 1 16 . 1 1 76 76 THR CB C 76 70.033 70.033 71.227 -1.194 25576 8638 1 16 . 1 1 76 76 THR H H 76 7.303 7.303 8.397 -1.094 25576 8639 1 16 . 1 1 77 77 PRO HA H 77 4.241 4.241 4.305 -0.064 25576 8640 1 16 . 1 1 77 77 PRO C C 77 178.445 178.445 178.075 0.370 25576 8641 1 16 . 1 1 77 77 PRO CA C 77 65.724 65.724 65.065 0.659 25576 8642 1 16 . 1 1 77 77 PRO CB C 77 32.479 32.479 32.054 0.425 25576 8643 1 16 . 1 1 78 78 LYS N N 78 115.329 115.329 117.111 -1.782 25576 8644 1 16 . 1 1 78 78 LYS HA H 78 3.956 3.956 4.127 -0.171 25576 8645 1 16 . 1 1 78 78 LYS C C 78 179.328 179.328 178.848 0.480 25576 8646 1 16 . 1 1 78 78 LYS CA C 78 59.012 59.012 59.175 -0.163 25576 8647 1 16 . 1 1 78 78 LYS CB C 78 32.845 32.845 31.516 1.329 25576 8648 1 16 . 1 1 78 78 LYS H H 78 8.073 8.073 7.621 0.452 25576 8649 1 16 . 1 1 79 79 GLU N N 79 120.840 120.840 119.630 1.210 25576 8650 1 16 . 1 1 79 79 GLU HA H 79 3.957 3.957 4.149 -0.192 25576 8651 1 16 . 1 1 79 79 GLU C C 79 178.566 178.566 178.440 0.126 25576 8652 1 16 . 1 1 79 79 GLU CA C 79 58.790 58.790 58.362 0.428 25576 8653 1 16 . 1 1 79 79 GLU CB C 79 30.290 30.290 29.465 0.825 25576 8654 1 16 . 1 1 79 79 GLU H H 79 7.978 7.978 7.530 0.448 25576 8655 1 16 . 1 1 80 80 LEU N N 80 115.072 115.072 117.992 -2.920 25576 8656 1 16 . 1 1 80 80 LEU HA H 80 4.222 4.222 4.316 -0.094 25576 8657 1 16 . 1 1 80 80 LEU C C 80 176.602 176.602 177.516 -0.914 25576 8658 1 16 . 1 1 80 80 LEU CA C 80 54.613 54.613 55.296 -0.683 25576 8659 1 16 . 1 1 80 80 LEU CB C 80 42.453 42.453 42.178 0.275 25576 8660 1 16 . 1 1 80 80 LEU H H 80 7.486 7.486 7.990 -0.504 25576 8661 1 16 . 1 1 81 81 GLY N N 81 108.019 108.019 106.479 1.540 25576 8662 1 16 . 1 1 81 81 GLY C C 81 175.390 175.390 174.178 1.212 25576 8663 1 16 . 1 1 81 81 GLY CA C 81 46.622 46.622 45.130 1.492 25576 8664 1 16 . 1 1 81 81 GLY H H 81 7.644 7.644 7.376 0.268 25576 8665 1 16 . 1 1 82 82 MET N N 82 117.606 117.606 118.409 -0.803 25576 8666 1 16 . 1 1 82 82 MET HA H 82 4.185 4.185 4.983 -0.798 25576 8667 1 16 . 1 1 82 82 MET C C 82 174.482 174.482 174.932 -0.450 25576 8668 1 16 . 1 1 82 82 MET CA C 82 57.019 57.019 54.858 2.161 25576 8669 1 16 . 1 1 82 82 MET CB C 82 34.089 34.089 35.520 -1.431 25576 8670 1 16 . 1 1 82 82 MET H H 82 7.628 7.628 8.309 -0.681 25576 8671 1 16 . 1 1 83 83 GLU N N 83 120.980 120.980 119.419 1.561 25576 8672 1 16 . 1 1 83 83 GLU HA H 83 4.457 4.457 4.727 -0.270 25576 8673 1 16 . 1 1 83 83 GLU C C 83 174.297 174.297 175.354 -1.057 25576 8674 1 16 . 1 1 83 83 GLU CA C 83 53.875 53.875 54.142 -0.266 25576 8675 1 16 . 1 1 83 83 GLU CB C 83 33.937 33.937 31.890 2.047 25576 8676 1 16 . 1 1 83 83 GLU H H 83 9.314 9.314 7.964 1.350 25576 8677 1 16 . 1 1 84 84 GLU N N 84 119.063 119.063 120.618 -1.555 25576 8678 1 16 . 1 1 84 84 GLU HA H 84 4.199 4.199 4.064 0.135 25576 8679 1 16 . 1 1 84 84 GLU C C 84 177.527 177.527 176.494 1.033 25576 8680 1 16 . 1 1 84 84 GLU CA C 84 58.549 58.549 56.950 1.599 25576 8681 1 16 . 1 1 84 84 GLU CB C 84 29.993 29.993 29.369 0.624 25576 8682 1 16 . 1 1 84 84 GLU H H 84 8.341 8.341 8.431 -0.090 25576 8683 1 16 . 1 1 85 85 GLU N N 85 118.840 118.840 120.102 -1.262 25576 8684 1 16 . 1 1 85 85 GLU HA H 85 3.645 3.645 3.839 -0.194 25576 8685 1 16 . 1 1 85 85 GLU C C 85 175.047 175.047 174.933 0.114 25576 8686 1 16 . 1 1 85 85 GLU CA C 85 58.846 58.846 57.938 0.908 25576 8687 1 16 . 1 1 85 85 GLU CB C 85 26.691 26.691 29.119 -2.428 25576 8688 1 16 . 1 1 85 85 GLU H H 85 9.357 9.357 9.149 0.208 25576 8689 1 16 . 1 1 86 86 ASP N N 86 120.217 120.217 118.144 2.073 25576 8690 1 16 . 1 1 86 86 ASP HA H 86 4.880 4.880 4.560 0.320 25576 8691 1 16 . 1 1 86 86 ASP C C 86 174.417 174.417 175.019 -0.602 25576 8692 1 16 . 1 1 86 86 ASP CA C 86 55.822 55.822 55.708 0.114 25576 8693 1 16 . 1 1 86 86 ASP CB C 86 41.926 41.926 42.075 -0.149 25576 8694 1 16 . 1 1 86 86 ASP H H 86 8.155 8.155 7.489 0.666 25576 8695 1 16 . 1 1 87 87 VAL N N 87 116.641 116.641 120.672 -4.031 25576 8696 1 16 . 1 1 87 87 VAL HA H 87 4.924 4.924 5.160 -0.236 25576 8697 1 16 . 1 1 87 87 VAL C C 87 176.064 176.064 174.350 1.714 25576 8698 1 16 . 1 1 87 87 VAL CA C 87 61.311 61.311 60.177 1.134 25576 8699 1 16 . 1 1 87 87 VAL CB C 87 35.067 35.067 35.028 0.040 25576 8700 1 16 . 1 1 87 87 VAL H H 87 8.191 8.191 8.350 -0.159 25576 8701 1 16 . 1 1 88 88 ILE N N 88 127.353 127.353 127.037 0.316 25576 8702 1 16 . 1 1 88 88 ILE HA H 88 4.845 4.845 4.618 0.227 25576 8703 1 16 . 1 1 88 88 ILE C C 88 174.967 174.967 174.033 0.934 25576 8704 1 16 . 1 1 88 88 ILE CA C 88 59.381 59.381 59.630 -0.249 25576 8705 1 16 . 1 1 88 88 ILE CB C 88 40.984 40.984 40.842 0.142 25576 8706 1 16 . 1 1 88 88 ILE H H 88 9.165 9.165 8.968 0.197 25576 8707 1 16 . 1 1 89 89 GLU N N 89 125.851 125.851 123.119 2.732 25576 8708 1 16 . 1 1 89 89 GLU HA H 89 4.820 4.820 4.688 0.133 25576 8709 1 16 . 1 1 89 89 GLU C C 89 175.262 175.262 174.894 0.368 25576 8710 1 16 . 1 1 89 89 GLU CA C 89 55.158 55.158 54.955 0.203 25576 8711 1 16 . 1 1 89 89 GLU CB C 89 33.359 33.359 32.056 1.303 25576 8712 1 16 . 1 1 89 89 GLU H H 89 8.858 8.858 8.573 0.285 25576 8713 1 16 . 1 1 90 90 VAL N N 90 119.735 119.735 125.810 -6.075 25576 8714 1 16 . 1 1 90 90 VAL HA H 90 4.817 4.817 5.366 -0.549 25576 8715 1 16 . 1 1 90 90 VAL C C 90 174.870 174.870 174.708 0.162 25576 8716 1 16 . 1 1 90 90 VAL CA C 90 59.412 59.412 60.489 -1.077 25576 8717 1 16 . 1 1 90 90 VAL CB C 90 34.031 34.031 34.707 -0.676 25576 8718 1 16 . 1 1 90 90 VAL H H 90 7.770 7.770 8.115 -0.345 25576 8719 1 16 . 1 1 91 91 TYR N N 91 124.243 124.243 123.395 0.848 25576 8720 1 16 . 1 1 91 91 TYR HA H 91 4.621 4.621 4.793 -0.172 25576 8721 1 16 . 1 1 91 91 TYR C C 91 174.588 174.588 174.784 -0.196 25576 8722 1 16 . 1 1 91 91 TYR CA C 91 56.018 56.018 56.989 -0.971 25576 8723 1 16 . 1 1 91 91 TYR CB C 91 42.641 42.641 42.367 0.274 25576 8724 1 16 . 1 1 91 91 TYR H H 91 8.540 8.540 9.081 -0.541 25576 8725 1 16 . 1 1 92 92 GLN N N 92 120.784 120.784 119.503 1.281 25576 8726 1 16 . 1 1 92 92 GLN HA H 92 4.529 4.529 4.683 -0.154 25576 8727 1 16 . 1 1 92 92 GLN C C 92 176.679 176.679 175.624 1.055 25576 8728 1 16 . 1 1 92 92 GLN CA C 92 56.135 56.135 55.160 0.975 25576 8729 1 16 . 1 1 92 92 GLN CB C 92 29.342 29.342 31.018 -1.676 25576 8730 1 16 . 1 1 92 92 GLN H H 92 8.726 8.726 8.795 -0.069 25576 8731 1 16 . 1 1 93 93 GLU N N 93 125.131 125.131 122.188 2.943 25576 8732 1 16 . 1 1 93 93 GLU HA H 93 4.364 4.364 4.578 -0.214 25576 8733 1 16 . 1 1 93 93 GLU C C 93 176.244 176.244 176.577 -0.333 25576 8734 1 16 . 1 1 93 93 GLU CA C 93 56.111 56.111 55.653 0.458 25576 8735 1 16 . 1 1 93 93 GLU CB C 93 30.517 30.517 30.588 -0.071 25576 8736 1 16 . 1 1 93 93 GLU H H 93 8.419 8.419 8.982 -0.563 25576 8737 1 16 . 1 1 94 94 GLN N N 94 122.912 122.912 120.842 2.070 25576 8738 1 16 . 1 1 94 94 GLN HA H 94 4.439 4.439 4.185 0.254 25576 8739 1 16 . 1 1 94 94 GLN C C 94 176.135 176.135 176.253 -0.118 25576 8740 1 16 . 1 1 94 94 GLN CA C 94 55.585 55.585 56.953 -1.368 25576 8741 1 16 . 1 1 94 94 GLN CB C 94 29.513 29.513 29.234 0.279 25576 8742 1 16 . 1 1 94 94 GLN H H 94 8.780 8.780 8.020 0.760 25576 8743 1 16 . 1 1 95 95 THR N N 95 116.094 116.094 112.387 3.707 25576 8744 1 16 . 1 1 95 95 THR HA H 95 4.294 4.294 4.540 -0.246 25576 8745 1 16 . 1 1 95 95 THR C C 95 175.136 175.136 174.037 1.099 25576 8746 1 16 . 1 1 95 95 THR CA C 95 61.971 61.971 61.348 0.623 25576 8747 1 16 . 1 1 95 95 THR CB C 95 69.829 69.829 69.278 0.551 25576 8748 1 16 . 1 1 95 95 THR H H 95 8.392 8.392 8.114 0.278 25576 8749 1 16 . 1 1 96 96 GLY N N 96 111.858 111.858 114.442 -2.584 25576 8750 1 16 . 1 1 96 96 GLY C C 96 173.704 173.704 174.193 -0.489 25576 8751 1 16 . 1 1 96 96 GLY CA C 96 45.424 45.424 45.253 0.171 25576 8752 1 16 . 1 1 96 96 GLY H H 96 8.508 8.508 8.762 -0.254 25576 8753 1 17 . 1 1 2 2 SER N N 2 116.367 116.367 117.545 -1.178 25576 8754 1 17 . 1 1 2 2 SER HA H 2 4.458 4.458 4.719 -0.261 25576 8755 1 17 . 1 1 2 2 SER C C 2 174.579 174.579 174.037 0.542 25576 8756 1 17 . 1 1 2 2 SER CA C 2 58.539 58.539 59.213 -0.674 25576 8757 1 17 . 1 1 2 2 SER CB C 2 63.940 63.940 63.323 0.617 25576 8758 1 17 . 1 1 2 2 SER H H 2 8.127 8.127 8.616 -0.489 25576 8759 1 17 . 1 1 3 3 ASP N N 3 122.355 122.355 118.624 3.731 25576 8760 1 17 . 1 1 3 3 ASP HA H 3 4.566 4.566 4.656 -0.090 25576 8761 1 17 . 1 1 3 3 ASP C C 3 176.445 176.445 174.576 1.869 25576 8762 1 17 . 1 1 3 3 ASP CA C 3 54.819 54.819 54.567 0.252 25576 8763 1 17 . 1 1 3 3 ASP CB C 3 40.939 40.939 41.612 -0.673 25576 8764 1 17 . 1 1 3 3 ASP H H 3 8.360 8.360 7.905 0.455 25576 8765 1 17 . 1 1 4 4 GLN N N 4 119.955 119.955 122.120 -2.165 25576 8766 1 17 . 1 1 4 4 GLN HA H 4 4.262 4.262 4.481 -0.219 25576 8767 1 17 . 1 1 4 4 GLN C C 4 176.138 176.138 175.478 0.660 25576 8768 1 17 . 1 1 4 4 GLN CA C 4 55.933 55.933 56.014 -0.081 25576 8769 1 17 . 1 1 4 4 GLN CB C 4 29.411 29.411 29.867 -0.456 25576 8770 1 17 . 1 1 4 4 GLN H H 4 8.250 8.250 8.823 -0.573 25576 8771 1 17 . 1 1 5 5 GLU N N 5 121.392 121.392 121.467 -0.075 25576 8772 1 17 . 1 1 5 5 GLU HA H 5 4.203 4.203 4.610 -0.407 25576 8773 1 17 . 1 1 5 5 GLU C C 5 176.137 176.137 175.051 1.086 25576 8774 1 17 . 1 1 5 5 GLU CA C 5 56.480 56.480 55.159 1.321 25576 8775 1 17 . 1 1 5 5 GLU CB C 5 30.261 30.261 31.486 -1.226 25576 8776 1 17 . 1 1 5 5 GLU H H 5 8.292 8.292 8.285 0.007 25576 8777 1 17 . 1 1 6 6 ALA N N 6 125.339 125.339 122.226 3.113 25576 8778 1 17 . 1 1 6 6 ALA HA H 6 4.261 4.261 4.556 -0.295 25576 8779 1 17 . 1 1 6 6 ALA C C 6 177.348 177.348 176.648 0.700 25576 8780 1 17 . 1 1 6 6 ALA CA C 6 52.319 52.319 51.875 0.444 25576 8781 1 17 . 1 1 6 6 ALA CB C 6 19.120 19.120 20.222 -1.102 25576 8782 1 17 . 1 1 6 6 ALA H H 6 8.253 8.253 8.400 -0.147 25576 8783 1 17 . 1 1 7 7 LYS N N 7 122.299 122.299 122.675 -0.376 25576 8784 1 17 . 1 1 7 7 LYS HA H 7 4.573 4.573 4.742 -0.169 25576 8785 1 17 . 1 1 7 7 LYS CA C 7 54.062 54.062 53.493 0.569 25576 8786 1 17 . 1 1 7 7 LYS CB C 7 32.588 32.588 33.752 -1.164 25576 8787 1 17 . 1 1 7 7 LYS H H 7 8.302 8.302 8.384 -0.082 25576 8788 1 17 . 1 1 8 8 PRO HA H 8 4.425 4.425 4.643 -0.218 25576 8789 1 17 . 1 1 8 8 PRO C C 8 177.020 177.020 176.375 0.645 25576 8790 1 17 . 1 1 8 8 PRO CA C 8 63.029 63.029 62.845 0.184 25576 8791 1 17 . 1 1 8 8 PRO CB C 8 32.158 32.158 31.655 0.503 25576 8792 1 17 . 1 1 9 9 SER N N 9 116.888 116.888 119.870 -2.982 25576 8793 1 17 . 1 1 9 9 SER HA H 9 4.479 4.479 4.639 -0.160 25576 8794 1 17 . 1 1 9 9 SER C C 9 174.261 174.261 174.369 -0.108 25576 8795 1 17 . 1 1 9 9 SER CA C 9 58.299 58.299 58.377 -0.078 25576 8796 1 17 . 1 1 9 9 SER CB C 9 63.848 63.848 64.110 -0.262 25576 8797 1 17 . 1 1 9 9 SER H H 9 8.596 8.596 8.345 0.251 25576 8798 1 17 . 1 1 10 10 THR N N 10 115.838 115.838 116.929 -1.091 25576 8799 1 17 . 1 1 10 10 THR HA H 10 4.334 4.334 4.500 -0.166 25576 8800 1 17 . 1 1 10 10 THR C C 10 176.158 176.158 173.602 2.556 25576 8801 1 17 . 1 1 10 10 THR CA C 10 61.966 61.966 61.986 -0.020 25576 8802 1 17 . 1 1 10 10 THR CB C 10 69.581 69.581 69.872 -0.291 25576 8803 1 17 . 1 1 10 10 THR H H 10 8.247 8.247 8.263 -0.016 25576 8804 1 17 . 1 1 11 11 GLU N N 11 122.975 122.975 122.289 0.686 25576 8805 1 17 . 1 1 11 11 GLU HA H 11 4.237 4.237 4.409 -0.172 25576 8806 1 17 . 1 1 11 11 GLU C C 11 175.920 175.920 174.677 1.243 25576 8807 1 17 . 1 1 11 11 GLU CA C 11 56.779 56.779 55.760 1.020 25576 8808 1 17 . 1 1 11 11 GLU CB C 11 29.869 29.869 31.634 -1.766 25576 8809 1 17 . 1 1 11 11 GLU H H 11 8.355 8.355 8.334 0.021 25576 8810 1 17 . 1 1 12 12 ASP N N 12 122.117 122.117 123.480 -1.363 25576 8811 1 17 . 1 1 12 12 ASP HA H 12 4.562 4.562 4.599 -0.037 25576 8812 1 17 . 1 1 12 12 ASP C C 12 176.402 176.402 175.694 0.708 25576 8813 1 17 . 1 1 12 12 ASP CA C 12 54.224 54.224 54.953 -0.730 25576 8814 1 17 . 1 1 12 12 ASP CB C 12 41.161 41.161 39.957 1.204 25576 8815 1 17 . 1 1 12 12 ASP H H 12 8.411 8.411 8.519 -0.108 25576 8816 1 17 . 1 1 13 13 LEU N N 13 123.695 123.695 123.175 0.520 25576 8817 1 17 . 1 1 13 13 LEU HA H 13 4.306 4.306 4.578 -0.272 25576 8818 1 17 . 1 1 13 13 LEU C C 13 178.231 178.231 178.143 0.088 25576 8819 1 17 . 1 1 13 13 LEU CA C 13 55.384 55.384 54.731 0.653 25576 8820 1 17 . 1 1 13 13 LEU CB C 13 42.132 42.132 42.906 -0.774 25576 8821 1 17 . 1 1 13 13 LEU H H 13 8.391 8.391 8.001 0.390 25576 8822 1 17 . 1 1 14 14 GLY N N 14 108.928 108.928 109.260 -0.332 25576 8823 1 17 . 1 1 14 14 GLY C C 14 174.014 174.014 174.299 -0.285 25576 8824 1 17 . 1 1 14 14 GLY CA C 14 45.600 45.600 44.887 0.713 25576 8825 1 17 . 1 1 14 14 GLY H H 14 8.456 8.456 8.575 -0.119 25576 8826 1 17 . 1 1 15 15 ASP N N 15 120.427 120.427 119.675 0.752 25576 8827 1 17 . 1 1 15 15 ASP HA H 15 4.544 4.544 4.724 -0.180 25576 8828 1 17 . 1 1 15 15 ASP C C 15 176.810 176.810 176.077 0.733 25576 8829 1 17 . 1 1 15 15 ASP CA C 15 54.389 54.389 53.872 0.517 25576 8830 1 17 . 1 1 15 15 ASP CB C 15 41.153 41.153 40.736 0.417 25576 8831 1 17 . 1 1 15 15 ASP H H 15 8.207 8.207 8.665 -0.458 25576 8832 1 17 . 1 1 16 16 LYS N N 16 121.257 121.257 118.046 3.211 25576 8833 1 17 . 1 1 16 16 LYS HA H 16 4.269 4.269 4.478 -0.209 25576 8834 1 17 . 1 1 16 16 LYS C C 16 176.470 176.470 174.814 1.656 25576 8835 1 17 . 1 1 16 16 LYS CA C 16 56.579 56.579 55.289 1.290 25576 8836 1 17 . 1 1 16 16 LYS CB C 16 29.470 29.470 33.896 -4.426 25576 8837 1 17 . 1 1 16 16 LYS H H 16 8.302 8.302 7.708 0.594 25576 8838 1 17 . 1 1 17 17 LYS N N 17 122.205 122.205 119.673 2.532 25576 8839 1 17 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.653 -0.386 25576 8840 1 17 . 1 1 17 17 LYS C C 17 176.837 176.837 175.492 1.345 25576 8841 1 17 . 1 1 17 17 LYS CA C 17 56.177 56.177 55.980 0.197 25576 8842 1 17 . 1 1 17 17 LYS CB C 17 32.684 32.684 33.886 -1.202 25576 8843 1 17 . 1 1 17 17 LYS H H 17 8.383 8.383 8.394 -0.011 25576 8844 1 17 . 1 1 18 18 GLU N N 18 121.859 121.859 121.103 0.756 25576 8845 1 17 . 1 1 18 18 GLU HA H 18 4.252 4.252 4.749 -0.497 25576 8846 1 17 . 1 1 18 18 GLU C C 18 176.964 176.964 175.371 1.593 25576 8847 1 17 . 1 1 18 18 GLU CA C 18 57.094 57.094 54.990 2.104 25576 8848 1 17 . 1 1 18 18 GLU CB C 18 30.261 30.261 31.138 -0.877 25576 8849 1 17 . 1 1 18 18 GLU H H 18 8.497 8.497 8.449 0.048 25576 8850 1 17 . 1 1 19 19 GLY N N 19 109.716 109.716 108.782 0.934 25576 8851 1 17 . 1 1 19 19 GLY C C 19 173.520 173.520 173.431 0.089 25576 8852 1 17 . 1 1 19 19 GLY CA C 19 45.386 45.386 44.764 0.622 25576 8853 1 17 . 1 1 19 19 GLY H H 19 8.447 8.447 8.815 -0.368 25576 8854 1 17 . 1 1 20 20 GLU N N 20 119.640 119.640 118.739 0.901 25576 8855 1 17 . 1 1 20 20 GLU HA H 20 4.255 4.255 4.006 0.249 25576 8856 1 17 . 1 1 20 20 GLU C C 20 175.453 175.453 175.289 0.164 25576 8857 1 17 . 1 1 20 20 GLU CA C 20 56.726 56.726 57.477 -0.751 25576 8858 1 17 . 1 1 20 20 GLU CB C 20 30.806 30.806 28.235 2.571 25576 8859 1 17 . 1 1 20 20 GLU H H 20 8.227 8.227 8.490 -0.263 25576 8860 1 17 . 1 1 21 21 TYR N N 21 119.301 119.301 114.738 4.563 25576 8861 1 17 . 1 1 21 21 TYR HA H 21 5.083 5.083 5.417 -0.334 25576 8862 1 17 . 1 1 21 21 TYR C C 21 175.805 175.805 174.131 1.674 25576 8863 1 17 . 1 1 21 21 TYR CA C 21 57.427 57.427 55.947 1.480 25576 8864 1 17 . 1 1 21 21 TYR CB C 21 41.620 41.620 40.512 1.108 25576 8865 1 17 . 1 1 21 21 TYR H H 21 8.367 8.367 7.172 1.195 25576 8866 1 17 . 1 1 22 22 ILE N N 22 116.642 116.642 114.692 1.950 25576 8867 1 17 . 1 1 22 22 ILE HA H 22 4.787 4.787 4.701 0.086 25576 8868 1 17 . 1 1 22 22 ILE C C 22 173.467 173.467 174.380 -0.913 25576 8869 1 17 . 1 1 22 22 ILE CA C 22 59.685 59.685 59.225 0.460 25576 8870 1 17 . 1 1 22 22 ILE CB C 22 42.383 42.383 41.611 0.772 25576 8871 1 17 . 1 1 22 22 ILE H H 22 9.151 9.151 8.981 0.170 25576 8872 1 17 . 1 1 23 23 LYS N N 23 124.306 124.306 119.680 4.626 25576 8873 1 17 . 1 1 23 23 LYS HA H 23 5.289 5.289 5.327 -0.038 25576 8874 1 17 . 1 1 23 23 LYS C C 23 175.553 175.553 175.552 0.001 25576 8875 1 17 . 1 1 23 23 LYS CA C 23 55.629 55.629 55.327 0.303 25576 8876 1 17 . 1 1 23 23 LYS CB C 23 33.744 33.744 34.497 -0.753 25576 8877 1 17 . 1 1 23 23 LYS H H 23 8.623 8.623 8.321 0.302 25576 8878 1 17 . 1 1 24 24 LEU N N 24 124.177 124.177 121.650 2.527 25576 8879 1 17 . 1 1 24 24 LEU HA H 24 4.974 4.974 5.105 -0.131 25576 8880 1 17 . 1 1 24 24 LEU C C 24 175.910 175.910 174.537 1.373 25576 8881 1 17 . 1 1 24 24 LEU CA C 24 52.835 52.835 53.993 -1.158 25576 8882 1 17 . 1 1 24 24 LEU CB C 24 46.661 46.661 47.171 -0.510 25576 8883 1 17 . 1 1 24 24 LEU H H 24 8.940 8.940 8.921 0.019 25576 8884 1 17 . 1 1 25 25 LYS N N 25 120.635 120.635 120.090 0.545 25576 8885 1 17 . 1 1 25 25 LYS HA H 25 4.714 4.714 4.738 -0.024 25576 8886 1 17 . 1 1 25 25 LYS C C 25 174.125 174.125 174.119 0.006 25576 8887 1 17 . 1 1 25 25 LYS CA C 25 55.122 55.122 53.670 1.452 25576 8888 1 17 . 1 1 25 25 LYS CB C 25 34.919 34.919 36.445 -1.526 25576 8889 1 17 . 1 1 25 25 LYS H H 25 8.621 8.621 8.564 0.057 25576 8890 1 17 . 1 1 26 26 VAL N N 26 124.130 124.130 124.761 -0.631 25576 8891 1 17 . 1 1 26 26 VAL HA H 26 5.043 5.043 4.671 0.372 25576 8892 1 17 . 1 1 26 26 VAL C C 26 176.195 176.195 174.606 1.589 25576 8893 1 17 . 1 1 26 26 VAL CA C 26 61.193 61.193 60.461 0.732 25576 8894 1 17 . 1 1 26 26 VAL CB C 26 32.270 32.270 35.619 -3.349 25576 8895 1 17 . 1 1 26 26 VAL H H 26 9.113 9.113 8.664 0.449 25576 8896 1 17 . 1 1 27 27 ILE N N 27 128.245 128.245 127.115 1.130 25576 8897 1 17 . 1 1 27 27 ILE HA H 27 5.012 5.012 4.388 0.624 25576 8898 1 17 . 1 1 27 27 ILE C C 27 175.976 175.976 175.055 0.921 25576 8899 1 17 . 1 1 27 27 ILE CA C 27 59.910 59.910 58.616 1.294 25576 8900 1 17 . 1 1 27 27 ILE CB C 27 39.851 39.851 37.774 2.077 25576 8901 1 17 . 1 1 27 27 ILE H H 27 9.063 9.063 8.396 0.667 25576 8902 1 17 . 1 1 28 28 GLY N N 28 113.332 113.332 112.360 0.972 25576 8903 1 17 . 1 1 28 28 GLY C C 28 175.505 175.505 175.388 0.117 25576 8904 1 17 . 1 1 28 28 GLY CA C 28 43.958 43.958 43.571 0.387 25576 8905 1 17 . 1 1 28 28 GLY H H 28 8.485 8.485 7.986 0.499 25576 8906 1 17 . 1 1 29 29 GLN N N 29 120.493 120.493 120.294 0.199 25576 8907 1 17 . 1 1 29 29 GLN HA H 29 4.113 4.113 4.001 0.112 25576 8908 1 17 . 1 1 29 29 GLN C C 29 176.003 176.003 176.631 -0.628 25576 8909 1 17 . 1 1 29 29 GLN CA C 29 57.808 57.808 57.944 -0.136 25576 8910 1 17 . 1 1 29 29 GLN CB C 29 28.735 28.735 28.134 0.601 25576 8911 1 17 . 1 1 29 29 GLN H H 29 8.768 8.768 8.778 -0.010 25576 8912 1 17 . 1 1 30 30 ASP N N 30 118.342 118.342 117.861 0.481 25576 8913 1 17 . 1 1 30 30 ASP HA H 30 4.537 4.537 4.626 -0.089 25576 8914 1 17 . 1 1 30 30 ASP C C 30 176.461 176.461 176.072 0.389 25576 8915 1 17 . 1 1 30 30 ASP CA C 30 53.271 53.271 53.376 -0.105 25576 8916 1 17 . 1 1 30 30 ASP CB C 30 39.867 39.867 40.508 -0.641 25576 8917 1 17 . 1 1 30 30 ASP H H 30 8.335 8.335 7.994 0.341 25576 8918 1 17 . 1 1 31 31 SER N N 31 111.069 111.069 112.981 -1.912 25576 8919 1 17 . 1 1 31 31 SER HA H 31 4.044 4.044 4.165 -0.121 25576 8920 1 17 . 1 1 31 31 SER C C 31 173.554 173.554 173.368 0.186 25576 8921 1 17 . 1 1 31 31 SER CA C 31 60.529 60.529 59.249 1.280 25576 8922 1 17 . 1 1 31 31 SER CB C 31 62.268 62.268 62.533 -0.265 25576 8923 1 17 . 1 1 31 31 SER H H 31 7.997 7.997 7.949 0.048 25576 8924 1 17 . 1 1 32 32 SER N N 32 117.489 117.489 116.484 1.005 25576 8925 1 17 . 1 1 32 32 SER HA H 32 4.380 4.380 4.420 -0.040 25576 8926 1 17 . 1 1 32 32 SER C C 32 173.550 173.550 174.153 -0.603 25576 8927 1 17 . 1 1 32 32 SER CA C 32 58.590 58.590 58.553 0.037 25576 8928 1 17 . 1 1 32 32 SER CB C 32 64.008 64.008 63.390 0.618 25576 8929 1 17 . 1 1 32 32 SER H H 32 8.081 8.081 8.095 -0.014 25576 8930 1 17 . 1 1 33 33 GLU N N 33 121.738 121.738 129.387 -7.649 25576 8931 1 17 . 1 1 33 33 GLU HA H 33 5.131 5.131 5.088 0.043 25576 8932 1 17 . 1 1 33 33 GLU C C 33 175.317 175.317 175.920 -0.603 25576 8933 1 17 . 1 1 33 33 GLU CA C 33 55.212 55.212 55.680 -0.468 25576 8934 1 17 . 1 1 33 33 GLU CB C 33 32.596 32.596 30.428 2.168 25576 8935 1 17 . 1 1 33 33 GLU H H 33 8.616 8.616 8.568 0.048 25576 8936 1 17 . 1 1 34 34 ILE N N 34 124.389 124.389 125.147 -0.758 25576 8937 1 17 . 1 1 34 34 ILE HA H 34 4.359 4.359 4.495 -0.136 25576 8938 1 17 . 1 1 34 34 ILE C C 34 174.612 174.612 174.914 -0.302 25576 8939 1 17 . 1 1 34 34 ILE CA C 34 60.266 60.266 59.374 0.892 25576 8940 1 17 . 1 1 34 34 ILE CB C 34 40.906 40.906 39.768 1.138 25576 8941 1 17 . 1 1 34 34 ILE H H 34 8.670 8.670 8.624 0.046 25576 8942 1 17 . 1 1 35 35 HIS N N 35 125.683 125.683 124.765 0.918 25576 8943 1 17 . 1 1 35 35 HIS HA H 35 5.597 5.597 4.953 0.644 25576 8944 1 17 . 1 1 35 35 HIS C C 35 174.902 174.902 174.662 0.240 25576 8945 1 17 . 1 1 35 35 HIS CA C 35 54.765 54.765 53.904 0.861 25576 8946 1 17 . 1 1 35 35 HIS CB C 35 32.411 32.411 33.035 -0.624 25576 8947 1 17 . 1 1 35 35 HIS H H 35 8.699 8.699 8.641 0.058 25576 8948 1 17 . 1 1 36 36 PHE N N 36 119.920 119.920 120.275 -0.355 25576 8949 1 17 . 1 1 36 36 PHE HA H 36 4.949 4.949 4.964 -0.015 25576 8950 1 17 . 1 1 36 36 PHE C C 36 174.000 174.000 173.396 0.604 25576 8951 1 17 . 1 1 36 36 PHE CA C 36 57.003 57.003 56.248 0.755 25576 8952 1 17 . 1 1 36 36 PHE CB C 36 44.431 44.431 40.940 3.491 25576 8953 1 17 . 1 1 36 36 PHE H H 36 9.103 9.103 8.196 0.907 25576 8954 1 17 . 1 1 37 37 LYS N N 37 123.747 123.747 122.588 1.159 25576 8955 1 17 . 1 1 37 37 LYS HA H 37 4.294 4.294 5.192 -0.898 25576 8956 1 17 . 1 1 37 37 LYS C C 37 176.145 176.145 175.254 0.891 25576 8957 1 17 . 1 1 37 37 LYS CA C 37 55.448 55.448 55.542 -0.094 25576 8958 1 17 . 1 1 37 37 LYS CB C 37 33.467 33.467 33.452 0.015 25576 8959 1 17 . 1 1 37 37 LYS H H 37 8.787 8.787 8.538 0.249 25576 8960 1 17 . 1 1 38 38 VAL N N 38 119.736 119.736 119.004 0.732 25576 8961 1 17 . 1 1 38 38 VAL HA H 38 4.957 4.957 4.524 0.433 25576 8962 1 17 . 1 1 38 38 VAL C C 38 174.245 174.245 174.427 -0.182 25576 8963 1 17 . 1 1 38 38 VAL CA C 38 58.935 58.935 58.838 0.097 25576 8964 1 17 . 1 1 38 38 VAL CB C 38 35.429 35.429 35.635 -0.206 25576 8965 1 17 . 1 1 38 38 VAL H H 38 9.138 9.138 8.751 0.387 25576 8966 1 17 . 1 1 39 39 LYS N N 39 122.359 122.359 121.548 0.811 25576 8967 1 17 . 1 1 39 39 LYS HA H 39 3.837 3.837 4.464 -0.627 25576 8968 1 17 . 1 1 39 39 LYS C C 39 179.383 179.383 177.512 1.871 25576 8969 1 17 . 1 1 39 39 LYS CA C 39 56.814 56.814 56.749 0.065 25576 8970 1 17 . 1 1 39 39 LYS CB C 39 30.576 30.576 33.473 -2.897 25576 8971 1 17 . 1 1 39 39 LYS H H 39 8.611 8.611 8.523 0.088 25576 8972 1 17 . 1 1 40 40 MET N N 40 119.929 119.929 117.380 2.549 25576 8973 1 17 . 1 1 40 40 MET HA H 40 4.103 4.103 4.481 -0.378 25576 8974 1 17 . 1 1 40 40 MET C C 40 176.546 176.546 177.335 -0.789 25576 8975 1 17 . 1 1 40 40 MET CA C 40 57.320 57.320 57.963 -0.643 25576 8976 1 17 . 1 1 40 40 MET CB C 40 30.903 30.903 33.046 -2.143 25576 8977 1 17 . 1 1 40 40 MET H H 40 8.562 8.562 9.043 -0.481 25576 8978 1 17 . 1 1 41 41 THR N N 41 100.263 100.263 109.652 -9.389 25576 8979 1 17 . 1 1 41 41 THR HA H 41 4.349 4.349 4.374 -0.025 25576 8980 1 17 . 1 1 41 41 THR C C 41 174.506 174.506 174.152 0.354 25576 8981 1 17 . 1 1 41 41 THR CA C 41 60.147 60.147 61.877 -1.730 25576 8982 1 17 . 1 1 41 41 THR CB C 41 68.836 68.836 68.757 0.079 25576 8983 1 17 . 1 1 41 41 THR H H 41 6.974 6.974 7.936 -0.962 25576 8984 1 17 . 1 1 42 42 THR N N 42 120.616 120.616 116.236 4.380 25576 8985 1 17 . 1 1 42 42 THR HA H 42 4.187 4.187 4.388 -0.201 25576 8986 1 17 . 1 1 42 42 THR C C 42 174.052 174.052 173.251 0.801 25576 8987 1 17 . 1 1 42 42 THR CA C 42 63.153 63.153 60.954 2.199 25576 8988 1 17 . 1 1 42 42 THR CB C 42 69.645 69.645 70.200 -0.555 25576 8989 1 17 . 1 1 42 42 THR H H 42 7.192 7.192 7.437 -0.245 25576 8990 1 17 . 1 1 43 43 HIS N N 43 126.236 126.236 121.561 4.675 25576 8991 1 17 . 1 1 43 43 HIS HA H 43 4.411 4.411 4.544 -0.133 25576 8992 1 17 . 1 1 43 43 HIS C C 43 178.431 178.431 176.667 1.764 25576 8993 1 17 . 1 1 43 43 HIS CA C 43 57.366 57.366 56.147 1.219 25576 8994 1 17 . 1 1 43 43 HIS CB C 43 30.155 30.155 30.962 -0.807 25576 8995 1 17 . 1 1 43 43 HIS H H 43 8.807 8.807 8.576 0.231 25576 8996 1 17 . 1 1 44 44 LEU N N 44 124.757 124.757 124.416 0.341 25576 8997 1 17 . 1 1 44 44 LEU HA H 44 3.983 3.983 4.180 -0.197 25576 8998 1 17 . 1 1 44 44 LEU C C 44 177.051 177.051 177.900 -0.849 25576 8999 1 17 . 1 1 44 44 LEU CA C 44 58.790 58.790 55.389 3.401 25576 9000 1 17 . 1 1 44 44 LEU CB C 44 41.240 41.240 41.160 0.081 25576 9001 1 17 . 1 1 44 44 LEU H H 44 9.349 9.349 8.977 0.372 25576 9002 1 17 . 1 1 45 45 LYS N N 45 121.424 121.424 119.202 2.222 25576 9003 1 17 . 1 1 45 45 LYS HA H 45 3.584 3.584 3.778 -0.194 25576 9004 1 17 . 1 1 45 45 LYS C C 45 176.867 176.867 177.889 -1.022 25576 9005 1 17 . 1 1 45 45 LYS CA C 45 60.662 60.662 59.391 1.272 25576 9006 1 17 . 1 1 45 45 LYS CB C 45 33.389 33.389 31.226 2.163 25576 9007 1 17 . 1 1 45 45 LYS H H 45 8.543 8.543 7.801 0.742 25576 9008 1 17 . 1 1 46 46 LYS N N 46 114.033 114.033 118.636 -4.603 25576 9009 1 17 . 1 1 46 46 LYS HA H 46 4.087 4.087 4.143 -0.056 25576 9010 1 17 . 1 1 46 46 LYS C C 46 178.977 178.977 178.434 0.543 25576 9011 1 17 . 1 1 46 46 LYS CA C 46 58.615 58.615 58.956 -0.341 25576 9012 1 17 . 1 1 46 46 LYS CB C 46 31.643 31.643 31.735 -0.092 25576 9013 1 17 . 1 1 46 46 LYS H H 46 7.517 7.517 7.491 0.026 25576 9014 1 17 . 1 1 47 47 LEU N N 47 121.871 121.871 121.528 0.343 25576 9015 1 17 . 1 1 47 47 LEU HA H 47 3.660 3.660 3.752 -0.092 25576 9016 1 17 . 1 1 47 47 LEU C C 47 177.575 177.575 178.063 -0.488 25576 9017 1 17 . 1 1 47 47 LEU CA C 47 58.514 58.514 57.523 0.991 25576 9018 1 17 . 1 1 47 47 LEU CB C 47 41.890 41.890 41.614 0.276 25576 9019 1 17 . 1 1 47 47 LEU H H 47 6.739 6.739 7.193 -0.454 25576 9020 1 17 . 1 1 48 48 LYS N N 48 118.246 118.246 119.001 -0.755 25576 9021 1 17 . 1 1 48 48 LYS HA H 48 3.081 3.081 4.071 -0.990 25576 9022 1 17 . 1 1 48 48 LYS C C 48 178.700 178.700 179.019 -0.319 25576 9023 1 17 . 1 1 48 48 LYS CA C 48 59.712 59.712 60.278 -0.566 25576 9024 1 17 . 1 1 48 48 LYS CB C 48 32.411 32.411 31.934 0.477 25576 9025 1 17 . 1 1 48 48 LYS H H 48 7.556 7.556 8.172 -0.616 25576 9026 1 17 . 1 1 49 49 GLU N N 49 118.092 118.092 117.529 0.563 25576 9027 1 17 . 1 1 49 49 GLU HA H 49 3.973 3.973 3.885 0.088 25576 9028 1 17 . 1 1 49 49 GLU C C 49 179.453 179.453 178.575 0.878 25576 9029 1 17 . 1 1 49 49 GLU CA C 49 59.627 59.627 59.029 0.598 25576 9030 1 17 . 1 1 49 49 GLU CB C 49 30.120 30.120 28.782 1.338 25576 9031 1 17 . 1 1 49 49 GLU H H 49 8.500 8.500 8.153 0.347 25576 9032 1 17 . 1 1 50 50 SER N N 50 115.646 115.646 117.060 -1.414 25576 9033 1 17 . 1 1 50 50 SER HA H 50 4.260 4.260 4.152 0.108 25576 9034 1 17 . 1 1 50 50 SER C C 50 177.171 177.171 176.634 0.537 25576 9035 1 17 . 1 1 50 50 SER CA C 50 61.947 61.947 61.276 0.671 25576 9036 1 17 . 1 1 50 50 SER CB C 50 63.258 63.258 63.067 0.191 25576 9037 1 17 . 1 1 50 50 SER H H 50 7.966 7.966 7.822 0.144 25576 9038 1 17 . 1 1 51 51 TYR N N 51 122.610 122.610 119.517 3.093 25576 9039 1 17 . 1 1 51 51 TYR HA H 51 4.026 4.026 4.473 -0.447 25576 9040 1 17 . 1 1 51 51 TYR C C 51 177.374 177.374 177.188 0.186 25576 9041 1 17 . 1 1 51 51 TYR CA C 51 63.608 63.608 59.797 3.811 25576 9042 1 17 . 1 1 51 51 TYR CB C 51 38.618 38.618 37.589 1.029 25576 9043 1 17 . 1 1 51 51 TYR H H 51 8.833 8.833 8.027 0.806 25576 9044 1 17 . 1 1 52 52 CYS N N 52 117.395 117.395 119.616 -2.221 25576 9045 1 17 . 1 1 52 52 CYS HA H 52 3.915 3.915 3.742 0.173 25576 9046 1 17 . 1 1 52 52 CYS C C 52 177.182 177.182 176.595 0.587 25576 9047 1 17 . 1 1 52 52 CYS CA C 52 65.108 65.108 64.383 0.725 25576 9048 1 17 . 1 1 52 52 CYS CB C 52 26.151 26.151 27.185 -1.034 25576 9049 1 17 . 1 1 52 52 CYS H H 52 8.676 8.676 7.487 1.189 25576 9050 1 17 . 1 1 53 53 GLN N N 53 119.196 119.196 119.013 0.183 25576 9051 1 17 . 1 1 53 53 GLN HA H 53 4.109 4.109 3.982 0.127 25576 9052 1 17 . 1 1 53 53 GLN C C 53 179.105 179.105 178.174 0.931 25576 9053 1 17 . 1 1 53 53 GLN CA C 53 58.973 58.973 58.341 0.632 25576 9054 1 17 . 1 1 53 53 GLN CB C 53 28.211 28.211 27.985 0.226 25576 9055 1 17 . 1 1 53 53 GLN H H 53 8.322 8.322 8.182 0.140 25576 9056 1 17 . 1 1 54 54 ARG N N 54 120.139 120.139 119.168 0.971 25576 9057 1 17 . 1 1 54 54 ARG HA H 54 4.018 4.018 4.105 -0.087 25576 9058 1 17 . 1 1 54 54 ARG C C 54 178.300 178.300 178.600 -0.300 25576 9059 1 17 . 1 1 54 54 ARG CA C 54 58.552 58.552 58.179 0.373 25576 9060 1 17 . 1 1 54 54 ARG CB C 54 29.669 29.669 29.746 -0.077 25576 9061 1 17 . 1 1 54 54 ARG H H 54 8.011 8.011 7.719 0.292 25576 9062 1 17 . 1 1 55 55 GLN N N 55 114.160 114.160 115.577 -1.417 25576 9063 1 17 . 1 1 55 55 GLN HA H 55 4.251 4.251 4.361 -0.110 25576 9064 1 17 . 1 1 55 55 GLN C C 55 176.410 176.410 176.990 -0.580 25576 9065 1 17 . 1 1 55 55 GLN CA C 55 55.119 55.119 57.212 -2.093 25576 9066 1 17 . 1 1 55 55 GLN CB C 55 29.424 29.424 29.776 -0.352 25576 9067 1 17 . 1 1 55 55 GLN H H 55 7.806 7.806 7.681 0.125 25576 9068 1 17 . 1 1 56 56 GLY N N 56 109.749 109.749 107.592 2.157 25576 9069 1 17 . 1 1 56 56 GLY C C 56 174.908 174.908 174.027 0.881 25576 9070 1 17 . 1 1 56 56 GLY CA C 56 46.658 46.658 45.235 1.423 25576 9071 1 17 . 1 1 56 56 GLY H H 56 7.932 7.932 7.733 0.199 25576 9072 1 17 . 1 1 57 57 VAL N N 57 111.990 111.990 115.323 -3.333 25576 9073 1 17 . 1 1 57 57 VAL HA H 57 4.941 4.941 4.672 0.269 25576 9074 1 17 . 1 1 57 57 VAL CA C 57 57.534 57.534 58.104 -0.570 25576 9075 1 17 . 1 1 57 57 VAL CB C 57 32.697 32.697 33.710 -1.013 25576 9076 1 17 . 1 1 57 57 VAL H H 57 7.651 7.651 7.530 0.121 25576 9077 1 17 . 1 1 58 58 PRO HA H 58 4.528 4.528 4.451 0.077 25576 9078 1 17 . 1 1 58 58 PRO C C 58 179.169 179.169 177.232 1.937 25576 9079 1 17 . 1 1 58 58 PRO CA C 58 62.211 62.211 62.444 -0.233 25576 9080 1 17 . 1 1 58 58 PRO CB C 58 32.543 32.543 32.660 -0.117 25576 9081 1 17 . 1 1 59 59 MET N N 59 124.522 124.522 118.743 5.779 25576 9082 1 17 . 1 1 59 59 MET HA H 59 4.703 4.703 4.218 0.485 25576 9083 1 17 . 1 1 59 59 MET C C 59 177.459 177.459 175.758 1.701 25576 9084 1 17 . 1 1 59 59 MET CA C 59 58.247 58.247 57.733 0.514 25576 9085 1 17 . 1 1 59 59 MET CB C 59 32.795 32.795 32.528 0.267 25576 9086 1 17 . 1 1 59 59 MET H H 59 9.002 9.002 8.520 0.482 25576 9087 1 17 . 1 1 60 60 ASN N N 60 113.185 113.185 113.005 0.180 25576 9088 1 17 . 1 1 60 60 ASN HA H 60 4.673 4.673 4.637 0.036 25576 9089 1 17 . 1 1 60 60 ASN C C 60 175.674 175.674 176.097 -0.423 25576 9090 1 17 . 1 1 60 60 ASN CA C 60 53.935 53.935 53.427 0.508 25576 9091 1 17 . 1 1 60 60 ASN CB C 60 37.217 37.217 37.629 -0.412 25576 9092 1 17 . 1 1 60 60 ASN H H 60 8.424 8.424 8.093 0.331 25576 9093 1 17 . 1 1 61 61 SER N N 61 113.092 113.092 114.874 -1.782 25576 9094 1 17 . 1 1 61 61 SER HA H 61 4.500 4.500 4.515 -0.015 25576 9095 1 17 . 1 1 61 61 SER C C 61 173.455 173.455 173.726 -0.271 25576 9096 1 17 . 1 1 61 61 SER CA C 61 59.609 59.609 60.413 -0.803 25576 9097 1 17 . 1 1 61 61 SER CB C 61 64.812 64.812 64.154 0.657 25576 9098 1 17 . 1 1 61 61 SER H H 61 7.931 7.931 7.629 0.302 25576 9099 1 17 . 1 1 62 62 LEU N N 62 120.961 120.961 116.915 4.046 25576 9100 1 17 . 1 1 62 62 LEU HA H 62 5.109 5.109 5.110 -0.001 25576 9101 1 17 . 1 1 62 62 LEU C C 62 175.588 175.588 175.809 -0.221 25576 9102 1 17 . 1 1 62 62 LEU CA C 62 53.575 53.575 52.931 0.644 25576 9103 1 17 . 1 1 62 62 LEU CB C 62 46.262 46.262 44.648 1.614 25576 9104 1 17 . 1 1 62 62 LEU H H 62 7.265 7.265 7.180 0.085 25576 9105 1 17 . 1 1 63 63 ARG N N 63 120.142 120.142 119.716 0.426 25576 9106 1 17 . 1 1 63 63 ARG HA H 63 4.668 4.668 4.389 0.279 25576 9107 1 17 . 1 1 63 63 ARG C C 63 172.784 172.784 175.009 -2.225 25576 9108 1 17 . 1 1 63 63 ARG CA C 63 54.488 54.488 54.693 -0.205 25576 9109 1 17 . 1 1 63 63 ARG CB C 63 33.111 33.111 32.246 0.865 25576 9110 1 17 . 1 1 63 63 ARG H H 63 8.993 8.993 8.822 0.171 25576 9111 1 17 . 1 1 64 64 PHE N N 64 122.537 122.537 122.940 -0.403 25576 9112 1 17 . 1 1 64 64 PHE HA H 64 4.959 4.959 5.530 -0.571 25576 9113 1 17 . 1 1 64 64 PHE C C 64 174.150 174.150 174.330 -0.180 25576 9114 1 17 . 1 1 64 64 PHE CA C 64 56.347 56.347 54.772 1.575 25576 9115 1 17 . 1 1 64 64 PHE CB C 64 40.762 40.762 39.387 1.375 25576 9116 1 17 . 1 1 64 64 PHE H H 64 8.923 8.923 8.116 0.807 25576 9117 1 17 . 1 1 65 65 LEU N N 65 124.212 124.212 120.017 4.195 25576 9118 1 17 . 1 1 65 65 LEU HA H 65 5.290 5.290 5.689 -0.399 25576 9119 1 17 . 1 1 65 65 LEU C C 65 175.903 175.903 174.378 1.525 25576 9120 1 17 . 1 1 65 65 LEU CA C 65 53.729 53.729 53.502 0.227 25576 9121 1 17 . 1 1 65 65 LEU CB C 65 46.385 46.385 46.237 0.148 25576 9122 1 17 . 1 1 65 65 LEU H H 65 9.738 9.738 9.150 0.588 25576 9123 1 17 . 1 1 66 66 PHE N N 66 119.384 119.384 120.584 -1.200 25576 9124 1 17 . 1 1 66 66 PHE HA H 66 5.202 5.202 4.989 0.213 25576 9125 1 17 . 1 1 66 66 PHE C C 66 175.017 175.017 174.798 0.219 25576 9126 1 17 . 1 1 66 66 PHE CA C 66 56.291 56.291 57.771 -1.480 25576 9127 1 17 . 1 1 66 66 PHE CB C 66 41.700 41.700 42.737 -1.037 25576 9128 1 17 . 1 1 66 66 PHE H H 66 8.968 8.968 9.052 -0.084 25576 9129 1 17 . 1 1 67 67 GLU N N 67 129.196 129.196 124.700 4.496 25576 9130 1 17 . 1 1 67 67 GLU HA H 67 3.540 3.540 3.591 -0.051 25576 9131 1 17 . 1 1 67 67 GLU C C 67 176.778 176.778 176.107 0.671 25576 9132 1 17 . 1 1 67 67 GLU CA C 67 56.769 56.769 56.745 0.024 25576 9133 1 17 . 1 1 67 67 GLU CB C 67 26.897 26.897 27.340 -0.443 25576 9134 1 17 . 1 1 67 67 GLU H H 67 9.381 9.381 8.718 0.663 25576 9135 1 17 . 1 1 68 68 GLY N N 68 103.263 103.263 105.145 -1.882 25576 9136 1 17 . 1 1 68 68 GLY C C 68 173.651 173.651 173.177 0.474 25576 9137 1 17 . 1 1 68 68 GLY CA C 68 45.476 45.476 44.870 0.606 25576 9138 1 17 . 1 1 68 68 GLY H H 68 8.858 8.858 8.248 0.610 25576 9139 1 17 . 1 1 69 69 GLN N N 69 120.732 120.732 118.469 2.263 25576 9140 1 17 . 1 1 69 69 GLN HA H 69 4.589 4.589 4.717 -0.128 25576 9141 1 17 . 1 1 69 69 GLN C C 69 175.204 175.204 174.443 0.761 25576 9142 1 17 . 1 1 69 69 GLN CA C 69 53.776 53.776 54.213 -0.437 25576 9143 1 17 . 1 1 69 69 GLN CB C 69 30.660 30.660 32.050 -1.390 25576 9144 1 17 . 1 1 69 69 GLN H H 69 7.996 7.996 8.106 -0.110 25576 9145 1 17 . 1 1 70 70 ARG N N 70 125.102 125.102 123.730 1.372 25576 9146 1 17 . 1 1 70 70 ARG HA H 70 4.395 4.395 4.731 -0.336 25576 9147 1 17 . 1 1 70 70 ARG C C 70 177.004 177.004 176.094 0.910 25576 9148 1 17 . 1 1 70 70 ARG CA C 70 57.305 57.305 56.171 1.134 25576 9149 1 17 . 1 1 70 70 ARG CB C 70 30.511 30.511 31.105 -0.594 25576 9150 1 17 . 1 1 70 70 ARG H H 70 8.823 8.823 8.734 0.089 25576 9151 1 17 . 1 1 71 71 ILE N N 71 126.949 126.949 122.407 4.542 25576 9152 1 17 . 1 1 71 71 ILE HA H 71 4.477 4.477 4.492 -0.015 25576 9153 1 17 . 1 1 71 71 ILE C C 71 176.145 176.145 175.016 1.129 25576 9154 1 17 . 1 1 71 71 ILE CA C 71 61.337 61.337 58.928 2.409 25576 9155 1 17 . 1 1 71 71 ILE CB C 71 39.067 39.067 36.856 2.211 25576 9156 1 17 . 1 1 71 71 ILE H H 71 9.020 9.020 8.420 0.600 25576 9157 1 17 . 1 1 72 72 ALA N N 72 139.307 139.307 128.780 10.527 25576 9158 1 17 . 1 1 72 72 ALA HA H 72 4.334 4.334 4.393 -0.059 25576 9159 1 17 . 1 1 72 72 ALA C C 72 177.973 177.973 178.008 -0.035 25576 9160 1 17 . 1 1 72 72 ALA CA C 72 50.785 50.785 50.167 0.618 25576 9161 1 17 . 1 1 72 72 ALA CB C 72 18.407 18.407 20.651 -2.244 25576 9162 1 17 . 1 1 72 72 ALA H H 72 10.910 10.910 7.829 3.081 25576 9163 1 17 . 1 1 73 73 ASP N N 73 120.493 120.493 118.936 1.557 25576 9164 1 17 . 1 1 73 73 ASP HA H 73 3.823 3.823 4.217 -0.394 25576 9165 1 17 . 1 1 73 73 ASP C C 73 176.104 176.104 176.045 0.059 25576 9166 1 17 . 1 1 73 73 ASP CA C 73 57.113 57.113 56.529 0.584 25576 9167 1 17 . 1 1 73 73 ASP CB C 73 40.032 40.032 40.559 -0.527 25576 9168 1 17 . 1 1 73 73 ASP H H 73 8.770 8.770 8.623 0.147 25576 9169 1 17 . 1 1 74 74 ASN N N 74 109.526 109.526 115.485 -5.959 25576 9170 1 17 . 1 1 74 74 ASN HA H 74 4.245 4.245 3.920 0.326 25576 9171 1 17 . 1 1 74 74 ASN C C 74 176.050 176.050 174.733 1.317 25576 9172 1 17 . 1 1 74 74 ASN CA C 74 52.073 52.073 52.535 -0.462 25576 9173 1 17 . 1 1 74 74 ASN CB C 74 37.343 37.343 38.482 -1.139 25576 9174 1 17 . 1 1 74 74 ASN H H 74 7.738 7.738 8.047 -0.309 25576 9175 1 17 . 1 1 75 75 HIS N N 75 119.821 119.821 119.751 0.070 25576 9176 1 17 . 1 1 75 75 HIS HA H 75 4.908 4.908 4.531 0.377 25576 9177 1 17 . 1 1 75 75 HIS C C 75 175.680 175.680 174.340 1.340 25576 9178 1 17 . 1 1 75 75 HIS CA C 75 56.606 56.606 56.023 0.583 25576 9179 1 17 . 1 1 75 75 HIS CB C 75 33.549 33.549 31.191 2.358 25576 9180 1 17 . 1 1 75 75 HIS H H 75 7.149 7.149 7.516 -0.367 25576 9181 1 17 . 1 1 76 76 THR N N 76 108.304 108.304 114.599 -6.295 25576 9182 1 17 . 1 1 76 76 THR HA H 76 5.197 5.197 5.112 0.085 25576 9183 1 17 . 1 1 76 76 THR CA C 76 57.594 57.594 58.145 -0.551 25576 9184 1 17 . 1 1 76 76 THR CB C 76 70.033 70.033 70.832 -0.799 25576 9185 1 17 . 1 1 76 76 THR H H 76 7.303 7.303 8.328 -1.025 25576 9186 1 17 . 1 1 77 77 PRO HA H 77 4.241 4.241 4.233 0.008 25576 9187 1 17 . 1 1 77 77 PRO C C 77 178.445 178.445 178.307 0.138 25576 9188 1 17 . 1 1 77 77 PRO CA C 77 65.724 65.724 65.276 0.448 25576 9189 1 17 . 1 1 77 77 PRO CB C 77 32.479 32.479 32.064 0.415 25576 9190 1 17 . 1 1 78 78 LYS N N 78 115.329 115.329 117.059 -1.730 25576 9191 1 17 . 1 1 78 78 LYS HA H 78 3.956 3.956 4.073 -0.117 25576 9192 1 17 . 1 1 78 78 LYS C C 78 179.328 179.328 178.862 0.466 25576 9193 1 17 . 1 1 78 78 LYS CA C 78 59.012 59.012 59.245 -0.233 25576 9194 1 17 . 1 1 78 78 LYS CB C 78 32.845 32.845 31.511 1.334 25576 9195 1 17 . 1 1 78 78 LYS H H 78 8.073 8.073 7.591 0.482 25576 9196 1 17 . 1 1 79 79 GLU N N 79 120.840 120.840 119.431 1.409 25576 9197 1 17 . 1 1 79 79 GLU HA H 79 3.957 3.957 4.117 -0.160 25576 9198 1 17 . 1 1 79 79 GLU C C 79 178.566 178.566 178.501 0.065 25576 9199 1 17 . 1 1 79 79 GLU CA C 79 58.790 58.790 58.404 0.386 25576 9200 1 17 . 1 1 79 79 GLU CB C 79 30.290 30.290 29.333 0.957 25576 9201 1 17 . 1 1 79 79 GLU H H 79 7.978 7.978 7.542 0.436 25576 9202 1 17 . 1 1 80 80 LEU N N 80 115.072 115.072 117.423 -2.351 25576 9203 1 17 . 1 1 80 80 LEU HA H 80 4.222 4.222 4.303 -0.081 25576 9204 1 17 . 1 1 80 80 LEU C C 80 176.602 176.602 177.609 -1.007 25576 9205 1 17 . 1 1 80 80 LEU CA C 80 54.613 54.613 55.320 -0.707 25576 9206 1 17 . 1 1 80 80 LEU CB C 80 42.453 42.453 42.225 0.228 25576 9207 1 17 . 1 1 80 80 LEU H H 80 7.486 7.486 7.987 -0.501 25576 9208 1 17 . 1 1 81 81 GLY N N 81 108.019 108.019 106.458 1.561 25576 9209 1 17 . 1 1 81 81 GLY C C 81 175.390 175.390 174.227 1.163 25576 9210 1 17 . 1 1 81 81 GLY CA C 81 46.622 46.622 45.045 1.577 25576 9211 1 17 . 1 1 81 81 GLY H H 81 7.644 7.644 7.324 0.320 25576 9212 1 17 . 1 1 82 82 MET N N 82 117.606 117.606 118.753 -1.147 25576 9213 1 17 . 1 1 82 82 MET HA H 82 4.185 4.185 5.005 -0.820 25576 9214 1 17 . 1 1 82 82 MET C C 82 174.482 174.482 175.283 -0.801 25576 9215 1 17 . 1 1 82 82 MET CA C 82 57.019 57.019 55.083 1.936 25576 9216 1 17 . 1 1 82 82 MET CB C 82 34.089 34.089 35.428 -1.339 25576 9217 1 17 . 1 1 82 82 MET H H 82 7.628 7.628 8.203 -0.575 25576 9218 1 17 . 1 1 83 83 GLU N N 83 120.980 120.980 117.935 3.045 25576 9219 1 17 . 1 1 83 83 GLU HA H 83 4.457 4.457 4.805 -0.348 25576 9220 1 17 . 1 1 83 83 GLU C C 83 174.297 174.297 175.509 -1.212 25576 9221 1 17 . 1 1 83 83 GLU CA C 83 53.875 53.875 54.028 -0.153 25576 9222 1 17 . 1 1 83 83 GLU CB C 83 33.937 33.937 31.967 1.970 25576 9223 1 17 . 1 1 83 83 GLU H H 83 9.314 9.314 8.415 0.899 25576 9224 1 17 . 1 1 84 84 GLU N N 84 119.063 119.063 119.373 -0.310 25576 9225 1 17 . 1 1 84 84 GLU HA H 84 4.199 4.199 4.151 0.048 25576 9226 1 17 . 1 1 84 84 GLU C C 84 177.527 177.527 176.655 0.872 25576 9227 1 17 . 1 1 84 84 GLU CA C 84 58.549 58.549 57.420 1.129 25576 9228 1 17 . 1 1 84 84 GLU CB C 84 29.993 29.993 29.670 0.323 25576 9229 1 17 . 1 1 84 84 GLU H H 84 8.341 8.341 8.587 -0.246 25576 9230 1 17 . 1 1 85 85 GLU N N 85 118.840 118.840 119.619 -0.779 25576 9231 1 17 . 1 1 85 85 GLU HA H 85 3.645 3.645 3.891 -0.246 25576 9232 1 17 . 1 1 85 85 GLU C C 85 175.047 175.047 175.478 -0.431 25576 9233 1 17 . 1 1 85 85 GLU CA C 85 58.846 58.846 58.045 0.801 25576 9234 1 17 . 1 1 85 85 GLU CB C 85 26.691 26.691 28.950 -2.259 25576 9235 1 17 . 1 1 85 85 GLU H H 85 9.357 9.357 9.168 0.189 25576 9236 1 17 . 1 1 86 86 ASP N N 86 120.217 120.217 119.539 0.678 25576 9237 1 17 . 1 1 86 86 ASP HA H 86 4.880 4.880 4.557 0.323 25576 9238 1 17 . 1 1 86 86 ASP C C 86 174.417 174.417 174.739 -0.322 25576 9239 1 17 . 1 1 86 86 ASP CA C 86 55.822 55.822 55.353 0.469 25576 9240 1 17 . 1 1 86 86 ASP CB C 86 41.926 41.926 42.235 -0.309 25576 9241 1 17 . 1 1 86 86 ASP H H 86 8.155 8.155 7.663 0.492 25576 9242 1 17 . 1 1 87 87 VAL N N 87 116.641 116.641 120.220 -3.579 25576 9243 1 17 . 1 1 87 87 VAL HA H 87 4.924 4.924 5.142 -0.218 25576 9244 1 17 . 1 1 87 87 VAL C C 87 176.064 176.064 174.595 1.469 25576 9245 1 17 . 1 1 87 87 VAL CA C 87 61.311 61.311 60.313 0.998 25576 9246 1 17 . 1 1 87 87 VAL CB C 87 35.067 35.067 35.277 -0.210 25576 9247 1 17 . 1 1 87 87 VAL H H 87 8.191 8.191 8.309 -0.118 25576 9248 1 17 . 1 1 88 88 ILE N N 88 127.353 127.353 126.682 0.671 25576 9249 1 17 . 1 1 88 88 ILE HA H 88 4.845 4.845 4.654 0.191 25576 9250 1 17 . 1 1 88 88 ILE C C 88 174.967 174.967 173.890 1.077 25576 9251 1 17 . 1 1 88 88 ILE CA C 88 59.381 59.381 59.667 -0.286 25576 9252 1 17 . 1 1 88 88 ILE CB C 88 40.984 40.984 41.046 -0.062 25576 9253 1 17 . 1 1 88 88 ILE H H 88 9.165 9.165 8.940 0.225 25576 9254 1 17 . 1 1 89 89 GLU N N 89 125.851 125.851 123.483 2.368 25576 9255 1 17 . 1 1 89 89 GLU HA H 89 4.820 4.820 4.693 0.127 25576 9256 1 17 . 1 1 89 89 GLU C C 89 175.262 175.262 174.846 0.416 25576 9257 1 17 . 1 1 89 89 GLU CA C 89 55.158 55.158 54.628 0.530 25576 9258 1 17 . 1 1 89 89 GLU CB C 89 33.359 33.359 32.417 0.942 25576 9259 1 17 . 1 1 89 89 GLU H H 89 8.858 8.858 8.627 0.231 25576 9260 1 17 . 1 1 90 90 VAL N N 90 119.735 119.735 125.608 -5.873 25576 9261 1 17 . 1 1 90 90 VAL HA H 90 4.817 4.817 5.426 -0.609 25576 9262 1 17 . 1 1 90 90 VAL C C 90 174.870 174.870 174.604 0.266 25576 9263 1 17 . 1 1 90 90 VAL CA C 90 59.412 59.412 60.681 -1.270 25576 9264 1 17 . 1 1 90 90 VAL CB C 90 34.031 34.031 34.399 -0.368 25576 9265 1 17 . 1 1 90 90 VAL H H 90 7.770 7.770 8.017 -0.247 25576 9266 1 17 . 1 1 91 91 TYR N N 91 124.243 124.243 124.840 -0.597 25576 9267 1 17 . 1 1 91 91 TYR HA H 91 4.621 4.621 4.746 -0.125 25576 9268 1 17 . 1 1 91 91 TYR C C 91 174.588 174.588 174.548 0.040 25576 9269 1 17 . 1 1 91 91 TYR CA C 91 56.018 56.018 56.838 -0.820 25576 9270 1 17 . 1 1 91 91 TYR CB C 91 42.641 42.641 42.193 0.448 25576 9271 1 17 . 1 1 91 91 TYR H H 91 8.540 8.540 9.163 -0.623 25576 9272 1 17 . 1 1 92 92 GLN N N 92 120.784 120.784 119.670 1.114 25576 9273 1 17 . 1 1 92 92 GLN HA H 92 4.529 4.529 4.753 -0.224 25576 9274 1 17 . 1 1 92 92 GLN C C 92 176.679 176.679 175.895 0.784 25576 9275 1 17 . 1 1 92 92 GLN CA C 92 56.135 56.135 55.255 0.880 25576 9276 1 17 . 1 1 92 92 GLN CB C 92 29.342 29.342 30.132 -0.790 25576 9277 1 17 . 1 1 92 92 GLN H H 92 8.726 8.726 8.795 -0.069 25576 9278 1 17 . 1 1 93 93 GLU N N 93 125.131 125.131 124.073 1.058 25576 9279 1 17 . 1 1 93 93 GLU HA H 93 4.364 4.364 4.561 -0.197 25576 9280 1 17 . 1 1 93 93 GLU C C 93 176.244 176.244 176.679 -0.435 25576 9281 1 17 . 1 1 93 93 GLU CA C 93 56.111 56.111 55.516 0.595 25576 9282 1 17 . 1 1 93 93 GLU CB C 93 30.517 30.517 30.328 0.189 25576 9283 1 17 . 1 1 93 93 GLU H H 93 8.419 8.419 9.112 -0.693 25576 9284 1 17 . 1 1 94 94 GLN N N 94 122.912 122.912 120.667 2.245 25576 9285 1 17 . 1 1 94 94 GLN HA H 94 4.439 4.439 4.161 0.278 25576 9286 1 17 . 1 1 94 94 GLN C C 94 176.135 176.135 176.235 -0.100 25576 9287 1 17 . 1 1 94 94 GLN CA C 94 55.585 55.585 57.123 -1.538 25576 9288 1 17 . 1 1 94 94 GLN CB C 94 29.513 29.513 29.252 0.261 25576 9289 1 17 . 1 1 94 94 GLN H H 94 8.780 8.780 7.926 0.854 25576 9290 1 17 . 1 1 95 95 THR N N 95 116.094 116.094 111.502 4.592 25576 9291 1 17 . 1 1 95 95 THR HA H 95 4.294 4.294 4.553 -0.259 25576 9292 1 17 . 1 1 95 95 THR C C 95 175.136 175.136 173.543 1.593 25576 9293 1 17 . 1 1 95 95 THR CA C 95 61.971 61.971 61.503 0.468 25576 9294 1 17 . 1 1 95 95 THR CB C 95 69.829 69.829 69.468 0.361 25576 9295 1 17 . 1 1 95 95 THR H H 95 8.392 8.392 8.145 0.247 25576 9296 1 17 . 1 1 96 96 GLY N N 96 111.858 111.858 112.986 -1.128 25576 9297 1 17 . 1 1 96 96 GLY C C 96 173.704 173.704 173.784 -0.080 25576 9298 1 17 . 1 1 96 96 GLY CA C 96 45.424 45.424 45.710 -0.286 25576 9299 1 17 . 1 1 96 96 GLY H H 96 8.508 8.508 8.650 -0.142 25576 9300 1 18 . 1 1 2 2 SER N N 2 116.367 116.367 113.894 2.473 25576 9301 1 18 . 1 1 2 2 SER HA H 2 4.458 4.458 4.568 -0.110 25576 9302 1 18 . 1 1 2 2 SER C C 2 174.579 174.579 175.092 -0.513 25576 9303 1 18 . 1 1 2 2 SER CA C 2 58.539 58.539 58.291 0.248 25576 9304 1 18 . 1 1 2 2 SER CB C 2 63.940 63.940 63.610 0.330 25576 9305 1 18 . 1 1 2 2 SER H H 2 8.127 8.127 8.152 -0.025 25576 9306 1 18 . 1 1 3 3 ASP N N 3 122.355 122.355 120.598 1.757 25576 9307 1 18 . 1 1 3 3 ASP HA H 3 4.566 4.566 4.642 -0.076 25576 9308 1 18 . 1 1 3 3 ASP C C 3 176.445 176.445 175.160 1.285 25576 9309 1 18 . 1 1 3 3 ASP CA C 3 54.819 54.819 54.243 0.576 25576 9310 1 18 . 1 1 3 3 ASP CB C 3 40.939 40.939 38.711 2.228 25576 9311 1 18 . 1 1 3 3 ASP H H 3 8.360 8.360 8.526 -0.166 25576 9312 1 18 . 1 1 4 4 GLN N N 4 119.955 119.955 117.804 2.151 25576 9313 1 18 . 1 1 4 4 GLN HA H 4 4.262 4.262 4.457 -0.195 25576 9314 1 18 . 1 1 4 4 GLN C C 4 176.138 176.138 174.079 2.059 25576 9315 1 18 . 1 1 4 4 GLN CA C 4 55.933 55.933 55.331 0.602 25576 9316 1 18 . 1 1 4 4 GLN CB C 4 29.411 29.411 30.795 -1.384 25576 9317 1 18 . 1 1 4 4 GLN H H 4 8.250 8.250 7.724 0.526 25576 9318 1 18 . 1 1 5 5 GLU N N 5 121.392 121.392 119.240 2.152 25576 9319 1 18 . 1 1 5 5 GLU HA H 5 4.203 4.203 4.541 -0.338 25576 9320 1 18 . 1 1 5 5 GLU C C 5 176.137 176.137 174.564 1.573 25576 9321 1 18 . 1 1 5 5 GLU CA C 5 56.480 56.480 55.604 0.876 25576 9322 1 18 . 1 1 5 5 GLU CB C 5 30.261 30.261 30.946 -0.685 25576 9323 1 18 . 1 1 5 5 GLU H H 5 8.292 8.292 8.402 -0.110 25576 9324 1 18 . 1 1 6 6 ALA N N 6 125.339 125.339 124.327 1.012 25576 9325 1 18 . 1 1 6 6 ALA HA H 6 4.261 4.261 4.583 -0.322 25576 9326 1 18 . 1 1 6 6 ALA C C 6 177.348 177.348 177.512 -0.164 25576 9327 1 18 . 1 1 6 6 ALA CA C 6 52.319 52.319 51.758 0.561 25576 9328 1 18 . 1 1 6 6 ALA CB C 6 19.120 19.120 19.140 -0.020 25576 9329 1 18 . 1 1 6 6 ALA H H 6 8.253 8.253 8.331 -0.078 25576 9330 1 18 . 1 1 7 7 LYS N N 7 122.299 122.299 124.823 -2.524 25576 9331 1 18 . 1 1 7 7 LYS HA H 7 4.573 4.573 4.820 -0.247 25576 9332 1 18 . 1 1 7 7 LYS CA C 7 54.062 54.062 52.978 1.084 25576 9333 1 18 . 1 1 7 7 LYS CB C 7 32.588 32.588 32.871 -0.283 25576 9334 1 18 . 1 1 7 7 LYS H H 7 8.302 8.302 8.346 -0.044 25576 9335 1 18 . 1 1 8 8 PRO HA H 8 4.425 4.425 4.397 0.028 25576 9336 1 18 . 1 1 8 8 PRO C C 8 177.020 177.020 176.620 0.400 25576 9337 1 18 . 1 1 8 8 PRO CA C 8 63.029 63.029 63.610 -0.581 25576 9338 1 18 . 1 1 8 8 PRO CB C 8 32.158 32.158 31.798 0.360 25576 9339 1 18 . 1 1 9 9 SER N N 9 116.888 116.888 114.878 2.010 25576 9340 1 18 . 1 1 9 9 SER HA H 9 4.479 4.479 4.224 0.255 25576 9341 1 18 . 1 1 9 9 SER C C 9 174.261 174.261 173.866 0.395 25576 9342 1 18 . 1 1 9 9 SER CA C 9 58.299 58.299 59.142 -0.843 25576 9343 1 18 . 1 1 9 9 SER CB C 9 63.848 63.848 62.083 1.766 25576 9344 1 18 . 1 1 9 9 SER H H 9 8.596 8.596 8.613 -0.017 25576 9345 1 18 . 1 1 10 10 THR N N 10 115.838 115.838 114.948 0.890 25576 9346 1 18 . 1 1 10 10 THR HA H 10 4.334 4.334 4.349 -0.015 25576 9347 1 18 . 1 1 10 10 THR C C 10 176.158 176.158 175.120 1.038 25576 9348 1 18 . 1 1 10 10 THR CA C 10 61.966 61.966 62.954 -0.988 25576 9349 1 18 . 1 1 10 10 THR CB C 10 69.581 69.581 69.201 0.380 25576 9350 1 18 . 1 1 10 10 THR H H 10 8.247 8.247 7.948 0.299 25576 9351 1 18 . 1 1 11 11 GLU N N 11 122.975 122.975 125.958 -2.983 25576 9352 1 18 . 1 1 11 11 GLU HA H 11 4.237 4.237 4.473 -0.236 25576 9353 1 18 . 1 1 11 11 GLU C C 11 175.920 175.920 174.745 1.175 25576 9354 1 18 . 1 1 11 11 GLU CA C 11 56.779 56.779 56.126 0.653 25576 9355 1 18 . 1 1 11 11 GLU CB C 11 29.869 29.869 30.785 -0.916 25576 9356 1 18 . 1 1 11 11 GLU H H 11 8.355 8.355 8.485 -0.130 25576 9357 1 18 . 1 1 12 12 ASP N N 12 122.117 122.117 124.692 -2.575 25576 9358 1 18 . 1 1 12 12 ASP HA H 12 4.562 4.562 4.862 -0.300 25576 9359 1 18 . 1 1 12 12 ASP C C 12 176.402 176.402 175.695 0.707 25576 9360 1 18 . 1 1 12 12 ASP CA C 12 54.224 54.224 53.885 0.339 25576 9361 1 18 . 1 1 12 12 ASP CB C 12 41.161 41.161 42.387 -1.226 25576 9362 1 18 . 1 1 12 12 ASP H H 12 8.411 8.411 8.423 -0.012 25576 9363 1 18 . 1 1 13 13 LEU N N 13 123.695 123.695 122.853 0.842 25576 9364 1 18 . 1 1 13 13 LEU HA H 13 4.306 4.306 4.615 -0.309 25576 9365 1 18 . 1 1 13 13 LEU C C 13 178.231 178.231 177.979 0.252 25576 9366 1 18 . 1 1 13 13 LEU CA C 13 55.384 55.384 54.685 0.699 25576 9367 1 18 . 1 1 13 13 LEU CB C 13 42.132 42.132 42.851 -0.719 25576 9368 1 18 . 1 1 13 13 LEU H H 13 8.391 8.391 8.516 -0.125 25576 9369 1 18 . 1 1 14 14 GLY N N 14 108.928 108.928 110.207 -1.279 25576 9370 1 18 . 1 1 14 14 GLY C C 14 174.014 174.014 174.057 -0.043 25576 9371 1 18 . 1 1 14 14 GLY CA C 14 45.600 45.600 44.689 0.911 25576 9372 1 18 . 1 1 14 14 GLY H H 14 8.456 8.456 8.636 -0.180 25576 9373 1 18 . 1 1 15 15 ASP N N 15 120.427 120.427 120.015 0.412 25576 9374 1 18 . 1 1 15 15 ASP HA H 15 4.544 4.544 4.695 -0.151 25576 9375 1 18 . 1 1 15 15 ASP C C 15 176.810 176.810 175.910 0.900 25576 9376 1 18 . 1 1 15 15 ASP CA C 15 54.389 54.389 54.528 -0.139 25576 9377 1 18 . 1 1 15 15 ASP CB C 15 41.153 41.153 41.318 -0.165 25576 9378 1 18 . 1 1 15 15 ASP H H 15 8.207 8.207 8.329 -0.122 25576 9379 1 18 . 1 1 16 16 LYS N N 16 121.257 121.257 120.879 0.378 25576 9380 1 18 . 1 1 16 16 LYS HA H 16 4.269 4.269 4.513 -0.244 25576 9381 1 18 . 1 1 16 16 LYS C C 16 176.470 176.470 176.057 0.413 25576 9382 1 18 . 1 1 16 16 LYS CA C 16 56.579 56.579 55.925 0.654 25576 9383 1 18 . 1 1 16 16 LYS CB C 16 29.470 29.470 33.256 -3.786 25576 9384 1 18 . 1 1 16 16 LYS H H 16 8.302 8.302 7.825 0.477 25576 9385 1 18 . 1 1 17 17 LYS N N 17 122.205 122.205 122.794 -0.589 25576 9386 1 18 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.447 -0.180 25576 9387 1 18 . 1 1 17 17 LYS C C 17 176.837 176.837 176.788 0.049 25576 9388 1 18 . 1 1 17 17 LYS CA C 17 56.177 56.177 55.453 0.724 25576 9389 1 18 . 1 1 17 17 LYS CB C 17 32.684 32.684 33.426 -0.742 25576 9390 1 18 . 1 1 17 17 LYS H H 17 8.383 8.383 8.420 -0.037 25576 9391 1 18 . 1 1 18 18 GLU N N 18 121.859 121.859 118.262 3.597 25576 9392 1 18 . 1 1 18 18 GLU HA H 18 4.252 4.252 4.375 -0.123 25576 9393 1 18 . 1 1 18 18 GLU C C 18 176.964 176.964 175.951 1.013 25576 9394 1 18 . 1 1 18 18 GLU CA C 18 57.094 57.094 55.543 1.551 25576 9395 1 18 . 1 1 18 18 GLU CB C 18 30.261 30.261 30.445 -0.184 25576 9396 1 18 . 1 1 18 18 GLU H H 18 8.497 8.497 8.240 0.257 25576 9397 1 18 . 1 1 19 19 GLY N N 19 109.716 109.716 108.015 1.701 25576 9398 1 18 . 1 1 19 19 GLY C C 19 173.520 173.520 173.682 -0.162 25576 9399 1 18 . 1 1 19 19 GLY CA C 19 45.386 45.386 45.133 0.253 25576 9400 1 18 . 1 1 19 19 GLY H H 19 8.447 8.447 8.731 -0.284 25576 9401 1 18 . 1 1 20 20 GLU N N 20 119.640 119.640 118.947 0.693 25576 9402 1 18 . 1 1 20 20 GLU HA H 20 4.255 4.255 3.905 0.350 25576 9403 1 18 . 1 1 20 20 GLU C C 20 175.453 175.453 174.819 0.634 25576 9404 1 18 . 1 1 20 20 GLU CA C 20 56.726 56.726 57.491 -0.765 25576 9405 1 18 . 1 1 20 20 GLU CB C 20 30.806 30.806 28.659 2.147 25576 9406 1 18 . 1 1 20 20 GLU H H 20 8.227 8.227 8.660 -0.433 25576 9407 1 18 . 1 1 21 21 TYR N N 21 119.301 119.301 113.432 5.869 25576 9408 1 18 . 1 1 21 21 TYR HA H 21 5.083 5.083 5.328 -0.245 25576 9409 1 18 . 1 1 21 21 TYR C C 21 175.805 175.805 174.330 1.475 25576 9410 1 18 . 1 1 21 21 TYR CA C 21 57.427 57.427 55.832 1.595 25576 9411 1 18 . 1 1 21 21 TYR CB C 21 41.620 41.620 40.728 0.892 25576 9412 1 18 . 1 1 21 21 TYR H H 21 8.367 8.367 7.283 1.084 25576 9413 1 18 . 1 1 22 22 ILE N N 22 116.642 116.642 116.417 0.225 25576 9414 1 18 . 1 1 22 22 ILE HA H 22 4.787 4.787 4.638 0.149 25576 9415 1 18 . 1 1 22 22 ILE C C 22 173.467 173.467 174.400 -0.933 25576 9416 1 18 . 1 1 22 22 ILE CA C 22 59.685 59.685 59.333 0.352 25576 9417 1 18 . 1 1 22 22 ILE CB C 22 42.383 42.383 41.606 0.777 25576 9418 1 18 . 1 1 22 22 ILE H H 22 9.151 9.151 9.183 -0.032 25576 9419 1 18 . 1 1 23 23 LYS N N 23 124.306 124.306 119.384 4.922 25576 9420 1 18 . 1 1 23 23 LYS HA H 23 5.289 5.289 5.286 0.003 25576 9421 1 18 . 1 1 23 23 LYS C C 23 175.553 175.553 175.705 -0.152 25576 9422 1 18 . 1 1 23 23 LYS CA C 23 55.629 55.629 55.212 0.416 25576 9423 1 18 . 1 1 23 23 LYS CB C 23 33.744 33.744 34.594 -0.850 25576 9424 1 18 . 1 1 23 23 LYS H H 23 8.623 8.623 8.290 0.333 25576 9425 1 18 . 1 1 24 24 LEU N N 24 124.177 124.177 121.142 3.035 25576 9426 1 18 . 1 1 24 24 LEU HA H 24 4.974 4.974 5.041 -0.067 25576 9427 1 18 . 1 1 24 24 LEU C C 24 175.910 175.910 174.277 1.633 25576 9428 1 18 . 1 1 24 24 LEU CA C 24 52.835 52.835 54.190 -1.355 25576 9429 1 18 . 1 1 24 24 LEU CB C 24 46.661 46.661 47.549 -0.888 25576 9430 1 18 . 1 1 24 24 LEU H H 24 8.940 8.940 8.845 0.095 25576 9431 1 18 . 1 1 25 25 LYS N N 25 120.635 120.635 120.623 0.012 25576 9432 1 18 . 1 1 25 25 LYS HA H 25 4.714 4.714 4.845 -0.131 25576 9433 1 18 . 1 1 25 25 LYS C C 25 174.125 174.125 174.063 0.062 25576 9434 1 18 . 1 1 25 25 LYS CA C 25 55.122 55.122 53.529 1.593 25576 9435 1 18 . 1 1 25 25 LYS CB C 25 34.919 34.919 36.431 -1.512 25576 9436 1 18 . 1 1 25 25 LYS H H 25 8.621 8.621 8.564 0.057 25576 9437 1 18 . 1 1 26 26 VAL N N 26 124.130 124.130 124.478 -0.348 25576 9438 1 18 . 1 1 26 26 VAL HA H 26 5.043 5.043 4.654 0.389 25576 9439 1 18 . 1 1 26 26 VAL C C 26 176.195 176.195 174.201 1.994 25576 9440 1 18 . 1 1 26 26 VAL CA C 26 61.193 61.193 60.148 1.045 25576 9441 1 18 . 1 1 26 26 VAL CB C 26 32.270 32.270 35.433 -3.163 25576 9442 1 18 . 1 1 26 26 VAL H H 26 9.113 9.113 8.689 0.424 25576 9443 1 18 . 1 1 27 27 ILE N N 27 128.245 128.245 126.527 1.718 25576 9444 1 18 . 1 1 27 27 ILE HA H 27 5.012 5.012 4.361 0.651 25576 9445 1 18 . 1 1 27 27 ILE C C 27 175.976 175.976 174.946 1.030 25576 9446 1 18 . 1 1 27 27 ILE CA C 27 59.910 59.910 58.660 1.250 25576 9447 1 18 . 1 1 27 27 ILE CB C 27 39.851 39.851 37.574 2.277 25576 9448 1 18 . 1 1 27 27 ILE H H 27 9.063 9.063 8.435 0.628 25576 9449 1 18 . 1 1 28 28 GLY N N 28 113.332 113.332 112.644 0.688 25576 9450 1 18 . 1 1 28 28 GLY C C 28 175.505 175.505 175.361 0.144 25576 9451 1 18 . 1 1 28 28 GLY CA C 28 43.958 43.958 43.720 0.238 25576 9452 1 18 . 1 1 28 28 GLY H H 28 8.485 8.485 7.954 0.531 25576 9453 1 18 . 1 1 29 29 GLN N N 29 120.493 120.493 120.139 0.354 25576 9454 1 18 . 1 1 29 29 GLN HA H 29 4.113 4.113 4.005 0.108 25576 9455 1 18 . 1 1 29 29 GLN C C 29 176.003 176.003 176.599 -0.596 25576 9456 1 18 . 1 1 29 29 GLN CA C 29 57.808 57.808 57.904 -0.096 25576 9457 1 18 . 1 1 29 29 GLN CB C 29 28.735 28.735 28.275 0.460 25576 9458 1 18 . 1 1 29 29 GLN H H 29 8.768 8.768 8.762 0.006 25576 9459 1 18 . 1 1 30 30 ASP N N 30 118.342 118.342 117.358 0.984 25576 9460 1 18 . 1 1 30 30 ASP HA H 30 4.537 4.537 4.673 -0.136 25576 9461 1 18 . 1 1 30 30 ASP C C 30 176.461 176.461 175.455 1.006 25576 9462 1 18 . 1 1 30 30 ASP CA C 30 53.271 53.271 53.161 0.110 25576 9463 1 18 . 1 1 30 30 ASP CB C 30 39.867 39.867 40.796 -0.929 25576 9464 1 18 . 1 1 30 30 ASP H H 30 8.335 8.335 7.920 0.415 25576 9465 1 18 . 1 1 31 31 SER N N 31 111.069 111.069 112.289 -1.220 25576 9466 1 18 . 1 1 31 31 SER HA H 31 4.044 4.044 4.050 -0.006 25576 9467 1 18 . 1 1 31 31 SER C C 31 173.554 173.554 173.462 0.092 25576 9468 1 18 . 1 1 31 31 SER CA C 31 60.529 60.529 59.677 0.852 25576 9469 1 18 . 1 1 31 31 SER CB C 31 62.268 62.268 61.890 0.378 25576 9470 1 18 . 1 1 31 31 SER H H 31 7.997 7.997 8.085 -0.088 25576 9471 1 18 . 1 1 32 32 SER N N 32 117.489 117.489 116.489 1.000 25576 9472 1 18 . 1 1 32 32 SER HA H 32 4.380 4.380 4.372 0.008 25576 9473 1 18 . 1 1 32 32 SER C C 32 173.550 173.550 174.433 -0.883 25576 9474 1 18 . 1 1 32 32 SER CA C 32 58.590 58.590 58.708 -0.118 25576 9475 1 18 . 1 1 32 32 SER CB C 32 64.008 64.008 63.556 0.452 25576 9476 1 18 . 1 1 32 32 SER H H 32 8.081 8.081 7.968 0.113 25576 9477 1 18 . 1 1 33 33 GLU N N 33 121.738 121.738 129.444 -7.706 25576 9478 1 18 . 1 1 33 33 GLU HA H 33 5.131 5.131 5.160 -0.029 25576 9479 1 18 . 1 1 33 33 GLU C C 33 175.317 175.317 175.912 -0.595 25576 9480 1 18 . 1 1 33 33 GLU CA C 33 55.212 55.212 55.658 -0.446 25576 9481 1 18 . 1 1 33 33 GLU CB C 33 32.596 32.596 30.387 2.209 25576 9482 1 18 . 1 1 33 33 GLU H H 33 8.616 8.616 8.375 0.241 25576 9483 1 18 . 1 1 34 34 ILE N N 34 124.389 124.389 124.887 -0.498 25576 9484 1 18 . 1 1 34 34 ILE HA H 34 4.359 4.359 4.500 -0.141 25576 9485 1 18 . 1 1 34 34 ILE C C 34 174.612 174.612 175.037 -0.425 25576 9486 1 18 . 1 1 34 34 ILE CA C 34 60.266 60.266 59.366 0.900 25576 9487 1 18 . 1 1 34 34 ILE CB C 34 40.906 40.906 39.939 0.967 25576 9488 1 18 . 1 1 34 34 ILE H H 34 8.670 8.670 8.469 0.201 25576 9489 1 18 . 1 1 35 35 HIS N N 35 125.683 125.683 124.426 1.257 25576 9490 1 18 . 1 1 35 35 HIS HA H 35 5.597 5.597 4.942 0.655 25576 9491 1 18 . 1 1 35 35 HIS C C 35 174.902 174.902 174.629 0.273 25576 9492 1 18 . 1 1 35 35 HIS CA C 35 54.765 54.765 54.073 0.692 25576 9493 1 18 . 1 1 35 35 HIS CB C 35 32.411 32.411 32.521 -0.110 25576 9494 1 18 . 1 1 35 35 HIS H H 35 8.699 8.699 8.704 -0.005 25576 9495 1 18 . 1 1 36 36 PHE N N 36 119.920 119.920 120.083 -0.163 25576 9496 1 18 . 1 1 36 36 PHE HA H 36 4.949 4.949 5.047 -0.098 25576 9497 1 18 . 1 1 36 36 PHE C C 36 174.000 174.000 173.414 0.586 25576 9498 1 18 . 1 1 36 36 PHE CA C 36 57.003 57.003 56.215 0.787 25576 9499 1 18 . 1 1 36 36 PHE CB C 36 44.431 44.431 41.084 3.347 25576 9500 1 18 . 1 1 36 36 PHE H H 36 9.103 9.103 8.073 1.030 25576 9501 1 18 . 1 1 37 37 LYS N N 37 123.747 123.747 122.342 1.405 25576 9502 1 18 . 1 1 37 37 LYS HA H 37 4.294 4.294 5.225 -0.931 25576 9503 1 18 . 1 1 37 37 LYS C C 37 176.145 176.145 175.118 1.027 25576 9504 1 18 . 1 1 37 37 LYS CA C 37 55.448 55.448 55.540 -0.092 25576 9505 1 18 . 1 1 37 37 LYS CB C 37 33.467 33.467 33.916 -0.449 25576 9506 1 18 . 1 1 37 37 LYS H H 37 8.787 8.787 8.485 0.302 25576 9507 1 18 . 1 1 38 38 VAL N N 38 119.736 119.736 119.069 0.667 25576 9508 1 18 . 1 1 38 38 VAL HA H 38 4.957 4.957 4.572 0.385 25576 9509 1 18 . 1 1 38 38 VAL C C 38 174.245 174.245 174.460 -0.215 25576 9510 1 18 . 1 1 38 38 VAL CA C 38 58.935 58.935 58.723 0.212 25576 9511 1 18 . 1 1 38 38 VAL CB C 38 35.429 35.429 35.384 0.045 25576 9512 1 18 . 1 1 38 38 VAL H H 38 9.138 9.138 9.022 0.116 25576 9513 1 18 . 1 1 39 39 LYS N N 39 122.359 122.359 121.307 1.052 25576 9514 1 18 . 1 1 39 39 LYS HA H 39 3.837 3.837 4.432 -0.595 25576 9515 1 18 . 1 1 39 39 LYS C C 39 179.383 179.383 177.299 2.084 25576 9516 1 18 . 1 1 39 39 LYS CA C 39 56.814 56.814 56.728 0.086 25576 9517 1 18 . 1 1 39 39 LYS CB C 39 30.576 30.576 33.655 -3.079 25576 9518 1 18 . 1 1 39 39 LYS H H 39 8.611 8.611 8.530 0.081 25576 9519 1 18 . 1 1 40 40 MET N N 40 119.929 119.929 117.354 2.575 25576 9520 1 18 . 1 1 40 40 MET HA H 40 4.103 4.103 4.516 -0.413 25576 9521 1 18 . 1 1 40 40 MET C C 40 176.546 176.546 177.186 -0.640 25576 9522 1 18 . 1 1 40 40 MET CA C 40 57.320 57.320 58.017 -0.697 25576 9523 1 18 . 1 1 40 40 MET CB C 40 30.903 30.903 33.303 -2.400 25576 9524 1 18 . 1 1 40 40 MET H H 40 8.562 8.562 8.936 -0.374 25576 9525 1 18 . 1 1 41 41 THR N N 41 100.263 100.263 110.673 -10.410 25576 9526 1 18 . 1 1 41 41 THR HA H 41 4.349 4.349 4.411 -0.062 25576 9527 1 18 . 1 1 41 41 THR C C 41 174.506 174.506 174.025 0.481 25576 9528 1 18 . 1 1 41 41 THR CA C 41 60.147 60.147 62.089 -1.942 25576 9529 1 18 . 1 1 41 41 THR CB C 41 68.836 68.836 68.554 0.282 25576 9530 1 18 . 1 1 41 41 THR H H 41 6.974 6.974 7.999 -1.025 25576 9531 1 18 . 1 1 42 42 THR N N 42 120.616 120.616 115.739 4.877 25576 9532 1 18 . 1 1 42 42 THR HA H 42 4.187 4.187 4.406 -0.219 25576 9533 1 18 . 1 1 42 42 THR C C 42 174.052 174.052 172.797 1.255 25576 9534 1 18 . 1 1 42 42 THR CA C 42 63.153 63.153 60.259 2.894 25576 9535 1 18 . 1 1 42 42 THR CB C 42 69.645 69.645 70.556 -0.911 25576 9536 1 18 . 1 1 42 42 THR H H 42 7.192 7.192 7.345 -0.153 25576 9537 1 18 . 1 1 43 43 HIS N N 43 126.236 126.236 119.927 6.309 25576 9538 1 18 . 1 1 43 43 HIS HA H 43 4.411 4.411 4.677 -0.266 25576 9539 1 18 . 1 1 43 43 HIS C C 43 178.431 178.431 176.315 2.116 25576 9540 1 18 . 1 1 43 43 HIS CA C 43 57.366 57.366 55.525 1.841 25576 9541 1 18 . 1 1 43 43 HIS CB C 43 30.155 30.155 31.116 -0.961 25576 9542 1 18 . 1 1 43 43 HIS H H 43 8.807 8.807 8.432 0.375 25576 9543 1 18 . 1 1 44 44 LEU N N 44 124.757 124.757 123.609 1.148 25576 9544 1 18 . 1 1 44 44 LEU HA H 44 3.983 3.983 4.223 -0.240 25576 9545 1 18 . 1 1 44 44 LEU C C 44 177.051 177.051 177.825 -0.774 25576 9546 1 18 . 1 1 44 44 LEU CA C 44 58.790 58.790 55.040 3.750 25576 9547 1 18 . 1 1 44 44 LEU CB C 44 41.240 41.240 41.039 0.201 25576 9548 1 18 . 1 1 44 44 LEU H H 44 9.349 9.349 8.993 0.356 25576 9549 1 18 . 1 1 45 45 LYS N N 45 121.424 121.424 119.326 2.098 25576 9550 1 18 . 1 1 45 45 LYS HA H 45 3.584 3.584 3.838 -0.254 25576 9551 1 18 . 1 1 45 45 LYS C C 45 176.867 176.867 177.858 -0.991 25576 9552 1 18 . 1 1 45 45 LYS CA C 45 60.662 60.662 59.356 1.306 25576 9553 1 18 . 1 1 45 45 LYS CB C 45 33.389 33.389 31.099 2.290 25576 9554 1 18 . 1 1 45 45 LYS H H 45 8.543 8.543 7.947 0.596 25576 9555 1 18 . 1 1 46 46 LYS N N 46 114.033 114.033 118.752 -4.719 25576 9556 1 18 . 1 1 46 46 LYS HA H 46 4.087 4.087 4.162 -0.075 25576 9557 1 18 . 1 1 46 46 LYS C C 46 178.977 178.977 178.561 0.416 25576 9558 1 18 . 1 1 46 46 LYS CA C 46 58.615 58.615 58.602 0.013 25576 9559 1 18 . 1 1 46 46 LYS CB C 46 31.643 31.643 31.841 -0.198 25576 9560 1 18 . 1 1 46 46 LYS H H 46 7.517 7.517 7.523 -0.006 25576 9561 1 18 . 1 1 47 47 LEU N N 47 121.871 121.871 121.275 0.596 25576 9562 1 18 . 1 1 47 47 LEU HA H 47 3.660 3.660 3.807 -0.147 25576 9563 1 18 . 1 1 47 47 LEU C C 47 177.575 177.575 178.022 -0.447 25576 9564 1 18 . 1 1 47 47 LEU CA C 47 58.514 58.514 57.514 1.000 25576 9565 1 18 . 1 1 47 47 LEU CB C 47 41.890 41.890 41.871 0.019 25576 9566 1 18 . 1 1 47 47 LEU H H 47 6.739 6.739 7.523 -0.784 25576 9567 1 18 . 1 1 48 48 LYS N N 48 118.246 118.246 118.375 -0.129 25576 9568 1 18 . 1 1 48 48 LYS HA H 48 3.081 3.081 4.109 -1.028 25576 9569 1 18 . 1 1 48 48 LYS C C 48 178.700 178.700 178.718 -0.018 25576 9570 1 18 . 1 1 48 48 LYS CA C 48 59.712 59.712 59.581 0.131 25576 9571 1 18 . 1 1 48 48 LYS CB C 48 32.411 32.411 31.516 0.895 25576 9572 1 18 . 1 1 48 48 LYS H H 48 7.556 7.556 8.341 -0.785 25576 9573 1 18 . 1 1 49 49 GLU N N 49 118.092 118.092 118.747 -0.655 25576 9574 1 18 . 1 1 49 49 GLU HA H 49 3.973 3.973 3.968 0.005 25576 9575 1 18 . 1 1 49 49 GLU C C 49 179.453 179.453 178.717 0.736 25576 9576 1 18 . 1 1 49 49 GLU CA C 49 59.627 59.627 58.684 0.943 25576 9577 1 18 . 1 1 49 49 GLU CB C 49 30.120 30.120 28.673 1.447 25576 9578 1 18 . 1 1 49 49 GLU H H 49 8.500 8.500 8.016 0.484 25576 9579 1 18 . 1 1 50 50 SER N N 50 115.646 115.646 116.797 -1.151 25576 9580 1 18 . 1 1 50 50 SER HA H 50 4.260 4.260 4.165 0.095 25576 9581 1 18 . 1 1 50 50 SER C C 50 177.171 177.171 176.736 0.435 25576 9582 1 18 . 1 1 50 50 SER CA C 50 61.947 61.947 61.488 0.459 25576 9583 1 18 . 1 1 50 50 SER CB C 50 63.258 63.258 63.212 0.046 25576 9584 1 18 . 1 1 50 50 SER H H 50 7.966 7.966 7.670 0.296 25576 9585 1 18 . 1 1 51 51 TYR N N 51 122.610 122.610 119.521 3.089 25576 9586 1 18 . 1 1 51 51 TYR HA H 51 4.026 4.026 4.434 -0.408 25576 9587 1 18 . 1 1 51 51 TYR C C 51 177.374 177.374 177.126 0.248 25576 9588 1 18 . 1 1 51 51 TYR CA C 51 63.608 63.608 59.665 3.943 25576 9589 1 18 . 1 1 51 51 TYR CB C 51 38.618 38.618 37.645 0.973 25576 9590 1 18 . 1 1 51 51 TYR H H 51 8.833 8.833 8.096 0.737 25576 9591 1 18 . 1 1 52 52 CYS N N 52 117.395 117.395 119.533 -2.138 25576 9592 1 18 . 1 1 52 52 CYS HA H 52 3.915 3.915 3.725 0.190 25576 9593 1 18 . 1 1 52 52 CYS C C 52 177.182 177.182 176.537 0.645 25576 9594 1 18 . 1 1 52 52 CYS CA C 52 65.108 65.108 64.571 0.537 25576 9595 1 18 . 1 1 52 52 CYS CB C 52 26.151 26.151 27.105 -0.954 25576 9596 1 18 . 1 1 52 52 CYS H H 52 8.676 8.676 7.281 1.395 25576 9597 1 18 . 1 1 53 53 GLN N N 53 119.196 119.196 118.734 0.462 25576 9598 1 18 . 1 1 53 53 GLN HA H 53 4.109 4.109 4.006 0.103 25576 9599 1 18 . 1 1 53 53 GLN C C 53 179.105 179.105 178.210 0.895 25576 9600 1 18 . 1 1 53 53 GLN CA C 53 58.973 58.973 58.232 0.741 25576 9601 1 18 . 1 1 53 53 GLN CB C 53 28.211 28.211 28.020 0.191 25576 9602 1 18 . 1 1 53 53 GLN H H 53 8.322 8.322 7.830 0.492 25576 9603 1 18 . 1 1 54 54 ARG N N 54 120.139 120.139 119.895 0.244 25576 9604 1 18 . 1 1 54 54 ARG HA H 54 4.018 4.018 4.114 -0.096 25576 9605 1 18 . 1 1 54 54 ARG C C 54 178.300 178.300 178.590 -0.290 25576 9606 1 18 . 1 1 54 54 ARG CA C 54 58.552 58.552 58.335 0.217 25576 9607 1 18 . 1 1 54 54 ARG CB C 54 29.669 29.669 29.744 -0.075 25576 9608 1 18 . 1 1 54 54 ARG H H 54 8.011 8.011 7.780 0.231 25576 9609 1 18 . 1 1 55 55 GLN N N 55 114.160 114.160 116.512 -2.352 25576 9610 1 18 . 1 1 55 55 GLN HA H 55 4.251 4.251 4.340 -0.089 25576 9611 1 18 . 1 1 55 55 GLN C C 55 176.410 176.410 177.058 -0.648 25576 9612 1 18 . 1 1 55 55 GLN CA C 55 55.119 55.119 56.910 -1.791 25576 9613 1 18 . 1 1 55 55 GLN CB C 55 29.424 29.424 29.532 -0.108 25576 9614 1 18 . 1 1 55 55 GLN H H 55 7.806 7.806 7.809 -0.003 25576 9615 1 18 . 1 1 56 56 GLY N N 56 109.749 109.749 107.528 2.221 25576 9616 1 18 . 1 1 56 56 GLY C C 56 174.908 174.908 174.068 0.840 25576 9617 1 18 . 1 1 56 56 GLY CA C 56 46.658 46.658 45.263 1.395 25576 9618 1 18 . 1 1 56 56 GLY H H 56 7.932 7.932 7.712 0.220 25576 9619 1 18 . 1 1 57 57 VAL N N 57 111.990 111.990 115.612 -3.622 25576 9620 1 18 . 1 1 57 57 VAL HA H 57 4.941 4.941 4.689 0.252 25576 9621 1 18 . 1 1 57 57 VAL CA C 57 57.534 57.534 58.081 -0.547 25576 9622 1 18 . 1 1 57 57 VAL CB C 57 32.697 32.697 33.751 -1.054 25576 9623 1 18 . 1 1 57 57 VAL H H 57 7.651 7.651 7.537 0.114 25576 9624 1 18 . 1 1 58 58 PRO HA H 58 4.528 4.528 4.468 0.060 25576 9625 1 18 . 1 1 58 58 PRO C C 58 179.169 179.169 177.416 1.753 25576 9626 1 18 . 1 1 58 58 PRO CA C 58 62.211 62.211 62.463 -0.252 25576 9627 1 18 . 1 1 58 58 PRO CB C 58 32.543 32.543 32.674 -0.131 25576 9628 1 18 . 1 1 59 59 MET N N 59 124.522 124.522 119.209 5.313 25576 9629 1 18 . 1 1 59 59 MET HA H 59 4.703 4.703 4.194 0.509 25576 9630 1 18 . 1 1 59 59 MET C C 59 177.459 177.459 175.833 1.626 25576 9631 1 18 . 1 1 59 59 MET CA C 59 58.247 58.247 57.910 0.337 25576 9632 1 18 . 1 1 59 59 MET CB C 59 32.795 32.795 32.388 0.407 25576 9633 1 18 . 1 1 59 59 MET H H 59 9.002 9.002 8.552 0.450 25576 9634 1 18 . 1 1 60 60 ASN N N 60 113.185 113.185 112.718 0.467 25576 9635 1 18 . 1 1 60 60 ASN HA H 60 4.673 4.673 4.649 0.024 25576 9636 1 18 . 1 1 60 60 ASN C C 60 175.674 175.674 176.132 -0.458 25576 9637 1 18 . 1 1 60 60 ASN CA C 60 53.935 53.935 53.658 0.277 25576 9638 1 18 . 1 1 60 60 ASN CB C 60 37.217 37.217 37.605 -0.388 25576 9639 1 18 . 1 1 60 60 ASN H H 60 8.424 8.424 8.097 0.327 25576 9640 1 18 . 1 1 61 61 SER N N 61 113.092 113.092 114.398 -1.306 25576 9641 1 18 . 1 1 61 61 SER HA H 61 4.500 4.500 4.530 -0.030 25576 9642 1 18 . 1 1 61 61 SER C C 61 173.455 173.455 173.179 0.276 25576 9643 1 18 . 1 1 61 61 SER CA C 61 59.609 59.609 59.904 -0.295 25576 9644 1 18 . 1 1 61 61 SER CB C 61 64.812 64.812 64.090 0.722 25576 9645 1 18 . 1 1 61 61 SER H H 61 7.931 7.931 7.877 0.054 25576 9646 1 18 . 1 1 62 62 LEU N N 62 120.961 120.961 115.692 5.269 25576 9647 1 18 . 1 1 62 62 LEU HA H 62 5.109 5.109 5.059 0.050 25576 9648 1 18 . 1 1 62 62 LEU C C 62 175.588 175.588 175.498 0.090 25576 9649 1 18 . 1 1 62 62 LEU CA C 62 53.575 53.575 53.070 0.505 25576 9650 1 18 . 1 1 62 62 LEU CB C 62 46.262 46.262 45.532 0.730 25576 9651 1 18 . 1 1 62 62 LEU H H 62 7.265 7.265 7.083 0.182 25576 9652 1 18 . 1 1 63 63 ARG N N 63 120.142 120.142 119.862 0.280 25576 9653 1 18 . 1 1 63 63 ARG HA H 63 4.668 4.668 4.335 0.333 25576 9654 1 18 . 1 1 63 63 ARG C C 63 172.784 172.784 175.096 -2.312 25576 9655 1 18 . 1 1 63 63 ARG CA C 63 54.488 54.488 54.706 -0.218 25576 9656 1 18 . 1 1 63 63 ARG CB C 63 33.111 33.111 31.916 1.194 25576 9657 1 18 . 1 1 63 63 ARG H H 63 8.993 8.993 8.902 0.091 25576 9658 1 18 . 1 1 64 64 PHE N N 64 122.537 122.537 122.425 0.112 25576 9659 1 18 . 1 1 64 64 PHE HA H 64 4.959 4.959 5.556 -0.597 25576 9660 1 18 . 1 1 64 64 PHE C C 64 174.150 174.150 174.352 -0.202 25576 9661 1 18 . 1 1 64 64 PHE CA C 64 56.347 56.347 54.868 1.479 25576 9662 1 18 . 1 1 64 64 PHE CB C 64 40.762 40.762 39.624 1.138 25576 9663 1 18 . 1 1 64 64 PHE H H 64 8.923 8.923 8.110 0.813 25576 9664 1 18 . 1 1 65 65 LEU N N 65 124.212 124.212 119.702 4.510 25576 9665 1 18 . 1 1 65 65 LEU HA H 65 5.290 5.290 5.717 -0.427 25576 9666 1 18 . 1 1 65 65 LEU C C 65 175.903 175.903 174.406 1.497 25576 9667 1 18 . 1 1 65 65 LEU CA C 65 53.729 53.729 53.450 0.279 25576 9668 1 18 . 1 1 65 65 LEU CB C 65 46.385 46.385 46.217 0.168 25576 9669 1 18 . 1 1 65 65 LEU H H 65 9.738 9.738 9.250 0.488 25576 9670 1 18 . 1 1 66 66 PHE N N 66 119.384 119.384 120.734 -1.350 25576 9671 1 18 . 1 1 66 66 PHE HA H 66 5.202 5.202 5.006 0.196 25576 9672 1 18 . 1 1 66 66 PHE C C 66 175.017 175.017 174.854 0.163 25576 9673 1 18 . 1 1 66 66 PHE CA C 66 56.291 56.291 57.649 -1.358 25576 9674 1 18 . 1 1 66 66 PHE CB C 66 41.700 41.700 42.727 -1.027 25576 9675 1 18 . 1 1 66 66 PHE H H 66 8.968 8.968 9.039 -0.071 25576 9676 1 18 . 1 1 67 67 GLU N N 67 129.196 129.196 124.547 4.649 25576 9677 1 18 . 1 1 67 67 GLU HA H 67 3.540 3.540 3.595 -0.055 25576 9678 1 18 . 1 1 67 67 GLU C C 67 176.778 176.778 176.108 0.670 25576 9679 1 18 . 1 1 67 67 GLU CA C 67 56.769 56.769 56.740 0.029 25576 9680 1 18 . 1 1 67 67 GLU CB C 67 26.897 26.897 27.380 -0.483 25576 9681 1 18 . 1 1 67 67 GLU H H 67 9.381 9.381 8.673 0.708 25576 9682 1 18 . 1 1 68 68 GLY N N 68 103.263 103.263 105.141 -1.878 25576 9683 1 18 . 1 1 68 68 GLY C C 68 173.651 173.651 173.162 0.489 25576 9684 1 18 . 1 1 68 68 GLY CA C 68 45.476 45.476 44.903 0.574 25576 9685 1 18 . 1 1 68 68 GLY H H 68 8.858 8.858 8.262 0.596 25576 9686 1 18 . 1 1 69 69 GLN N N 69 120.732 120.732 118.584 2.148 25576 9687 1 18 . 1 1 69 69 GLN HA H 69 4.589 4.589 4.708 -0.119 25576 9688 1 18 . 1 1 69 69 GLN C C 69 175.204 175.204 174.753 0.451 25576 9689 1 18 . 1 1 69 69 GLN CA C 69 53.776 53.776 54.090 -0.314 25576 9690 1 18 . 1 1 69 69 GLN CB C 69 30.660 30.660 31.915 -1.255 25576 9691 1 18 . 1 1 69 69 GLN H H 69 7.996 7.996 8.055 -0.059 25576 9692 1 18 . 1 1 70 70 ARG N N 70 125.102 125.102 124.739 0.363 25576 9693 1 18 . 1 1 70 70 ARG HA H 70 4.395 4.395 4.678 -0.283 25576 9694 1 18 . 1 1 70 70 ARG C C 70 177.004 177.004 175.367 1.637 25576 9695 1 18 . 1 1 70 70 ARG CA C 70 57.305 57.305 55.856 1.449 25576 9696 1 18 . 1 1 70 70 ARG CB C 70 30.511 30.511 30.882 -0.371 25576 9697 1 18 . 1 1 70 70 ARG H H 70 8.823 8.823 8.797 0.026 25576 9698 1 18 . 1 1 71 71 ILE N N 71 126.949 126.949 123.143 3.806 25576 9699 1 18 . 1 1 71 71 ILE HA H 71 4.477 4.477 4.534 -0.057 25576 9700 1 18 . 1 1 71 71 ILE C C 71 176.145 176.145 175.277 0.868 25576 9701 1 18 . 1 1 71 71 ILE CA C 71 61.337 61.337 59.291 2.046 25576 9702 1 18 . 1 1 71 71 ILE CB C 71 39.067 39.067 36.716 2.351 25576 9703 1 18 . 1 1 71 71 ILE H H 71 9.020 9.020 8.401 0.619 25576 9704 1 18 . 1 1 72 72 ALA N N 72 139.307 139.307 129.189 10.118 25576 9705 1 18 . 1 1 72 72 ALA HA H 72 4.334 4.334 4.496 -0.162 25576 9706 1 18 . 1 1 72 72 ALA C C 72 177.973 177.973 178.362 -0.389 25576 9707 1 18 . 1 1 72 72 ALA CA C 72 50.785 50.785 49.725 1.060 25576 9708 1 18 . 1 1 72 72 ALA CB C 72 18.407 18.407 21.131 -2.724 25576 9709 1 18 . 1 1 72 72 ALA H H 72 10.910 10.910 7.714 3.196 25576 9710 1 18 . 1 1 73 73 ASP N N 73 120.493 120.493 119.015 1.478 25576 9711 1 18 . 1 1 73 73 ASP HA H 73 3.823 3.823 4.231 -0.408 25576 9712 1 18 . 1 1 73 73 ASP C C 73 176.104 176.104 175.939 0.165 25576 9713 1 18 . 1 1 73 73 ASP CA C 73 57.113 57.113 56.207 0.906 25576 9714 1 18 . 1 1 73 73 ASP CB C 73 40.032 40.032 40.616 -0.584 25576 9715 1 18 . 1 1 73 73 ASP H H 73 8.770 8.770 8.622 0.148 25576 9716 1 18 . 1 1 74 74 ASN N N 74 109.526 109.526 115.601 -6.075 25576 9717 1 18 . 1 1 74 74 ASN HA H 74 4.245 4.245 4.159 0.086 25576 9718 1 18 . 1 1 74 74 ASN C C 74 176.050 176.050 174.729 1.321 25576 9719 1 18 . 1 1 74 74 ASN CA C 74 52.073 52.073 52.602 -0.529 25576 9720 1 18 . 1 1 74 74 ASN CB C 74 37.343 37.343 38.693 -1.350 25576 9721 1 18 . 1 1 74 74 ASN H H 74 7.738 7.738 8.145 -0.407 25576 9722 1 18 . 1 1 75 75 HIS N N 75 119.821 119.821 120.740 -0.919 25576 9723 1 18 . 1 1 75 75 HIS HA H 75 4.908 4.908 4.593 0.315 25576 9724 1 18 . 1 1 75 75 HIS C C 75 175.680 175.680 174.173 1.507 25576 9725 1 18 . 1 1 75 75 HIS CA C 75 56.606 56.606 55.955 0.651 25576 9726 1 18 . 1 1 75 75 HIS CB C 75 33.549 33.549 31.136 2.413 25576 9727 1 18 . 1 1 75 75 HIS H H 75 7.149 7.149 7.504 -0.355 25576 9728 1 18 . 1 1 76 76 THR N N 76 108.304 108.304 114.435 -6.131 25576 9729 1 18 . 1 1 76 76 THR HA H 76 5.197 5.197 5.248 -0.051 25576 9730 1 18 . 1 1 76 76 THR CA C 76 57.594 57.594 57.719 -0.125 25576 9731 1 18 . 1 1 76 76 THR CB C 76 70.033 70.033 71.112 -1.079 25576 9732 1 18 . 1 1 76 76 THR H H 76 7.303 7.303 8.265 -0.962 25576 9733 1 18 . 1 1 77 77 PRO HA H 77 4.241 4.241 4.110 0.131 25576 9734 1 18 . 1 1 77 77 PRO C C 77 178.445 178.445 177.974 0.471 25576 9735 1 18 . 1 1 77 77 PRO CA C 77 65.724 65.724 65.273 0.451 25576 9736 1 18 . 1 1 77 77 PRO CB C 77 32.479 32.479 31.831 0.648 25576 9737 1 18 . 1 1 78 78 LYS N N 78 115.329 115.329 116.098 -0.769 25576 9738 1 18 . 1 1 78 78 LYS HA H 78 3.956 3.956 4.061 -0.105 25576 9739 1 18 . 1 1 78 78 LYS C C 78 179.328 179.328 178.798 0.530 25576 9740 1 18 . 1 1 78 78 LYS CA C 78 59.012 59.012 59.112 -0.100 25576 9741 1 18 . 1 1 78 78 LYS CB C 78 32.845 32.845 31.617 1.228 25576 9742 1 18 . 1 1 78 78 LYS H H 78 8.073 8.073 7.587 0.486 25576 9743 1 18 . 1 1 79 79 GLU N N 79 120.840 120.840 119.517 1.323 25576 9744 1 18 . 1 1 79 79 GLU HA H 79 3.957 3.957 4.136 -0.179 25576 9745 1 18 . 1 1 79 79 GLU C C 79 178.566 178.566 178.409 0.157 25576 9746 1 18 . 1 1 79 79 GLU CA C 79 58.790 58.790 58.327 0.464 25576 9747 1 18 . 1 1 79 79 GLU CB C 79 30.290 30.290 29.410 0.880 25576 9748 1 18 . 1 1 79 79 GLU H H 79 7.978 7.978 7.510 0.468 25576 9749 1 18 . 1 1 80 80 LEU N N 80 115.072 115.072 117.764 -2.692 25576 9750 1 18 . 1 1 80 80 LEU HA H 80 4.222 4.222 4.350 -0.128 25576 9751 1 18 . 1 1 80 80 LEU C C 80 176.602 176.602 177.427 -0.825 25576 9752 1 18 . 1 1 80 80 LEU CA C 80 54.613 54.613 55.129 -0.516 25576 9753 1 18 . 1 1 80 80 LEU CB C 80 42.453 42.453 42.152 0.301 25576 9754 1 18 . 1 1 80 80 LEU H H 80 7.486 7.486 8.060 -0.574 25576 9755 1 18 . 1 1 81 81 GLY N N 81 108.019 108.019 106.936 1.083 25576 9756 1 18 . 1 1 81 81 GLY C C 81 175.390 175.390 174.072 1.318 25576 9757 1 18 . 1 1 81 81 GLY CA C 81 46.622 46.622 45.205 1.417 25576 9758 1 18 . 1 1 81 81 GLY H H 81 7.644 7.644 7.339 0.305 25576 9759 1 18 . 1 1 82 82 MET N N 82 117.606 117.606 117.911 -0.305 25576 9760 1 18 . 1 1 82 82 MET HA H 82 4.185 4.185 4.631 -0.446 25576 9761 1 18 . 1 1 82 82 MET C C 82 174.482 174.482 174.683 -0.201 25576 9762 1 18 . 1 1 82 82 MET CA C 82 57.019 57.019 54.595 2.424 25576 9763 1 18 . 1 1 82 82 MET CB C 82 34.089 34.089 35.586 -1.497 25576 9764 1 18 . 1 1 82 82 MET H H 82 7.628 7.628 8.297 -0.669 25576 9765 1 18 . 1 1 83 83 GLU N N 83 120.980 120.980 118.564 2.416 25576 9766 1 18 . 1 1 83 83 GLU HA H 83 4.457 4.457 4.678 -0.221 25576 9767 1 18 . 1 1 83 83 GLU C C 83 174.297 174.297 175.341 -1.044 25576 9768 1 18 . 1 1 83 83 GLU CA C 83 53.875 53.875 54.194 -0.319 25576 9769 1 18 . 1 1 83 83 GLU CB C 83 33.937 33.937 32.295 1.642 25576 9770 1 18 . 1 1 83 83 GLU H H 83 9.314 9.314 7.879 1.435 25576 9771 1 18 . 1 1 84 84 GLU N N 84 119.063 119.063 120.568 -1.505 25576 9772 1 18 . 1 1 84 84 GLU HA H 84 4.199 4.199 4.261 -0.062 25576 9773 1 18 . 1 1 84 84 GLU C C 84 177.527 177.527 176.425 1.102 25576 9774 1 18 . 1 1 84 84 GLU CA C 84 58.549 58.549 56.912 1.637 25576 9775 1 18 . 1 1 84 84 GLU CB C 84 29.993 29.993 28.739 1.254 25576 9776 1 18 . 1 1 84 84 GLU H H 84 8.341 8.341 8.564 -0.223 25576 9777 1 18 . 1 1 85 85 GLU N N 85 118.840 118.840 118.245 0.595 25576 9778 1 18 . 1 1 85 85 GLU HA H 85 3.645 3.645 3.822 -0.177 25576 9779 1 18 . 1 1 85 85 GLU C C 85 175.047 175.047 175.483 -0.436 25576 9780 1 18 . 1 1 85 85 GLU CA C 85 58.846 58.846 57.959 0.887 25576 9781 1 18 . 1 1 85 85 GLU CB C 85 26.691 26.691 29.009 -2.318 25576 9782 1 18 . 1 1 85 85 GLU H H 85 9.357 9.357 9.081 0.276 25576 9783 1 18 . 1 1 86 86 ASP N N 86 120.217 120.217 119.973 0.244 25576 9784 1 18 . 1 1 86 86 ASP HA H 86 4.880 4.880 4.645 0.235 25576 9785 1 18 . 1 1 86 86 ASP C C 86 174.417 174.417 174.660 -0.243 25576 9786 1 18 . 1 1 86 86 ASP CA C 86 55.822 55.822 55.560 0.262 25576 9787 1 18 . 1 1 86 86 ASP CB C 86 41.926 41.926 42.486 -0.560 25576 9788 1 18 . 1 1 86 86 ASP H H 86 8.155 8.155 7.638 0.517 25576 9789 1 18 . 1 1 87 87 VAL N N 87 116.641 116.641 119.799 -3.158 25576 9790 1 18 . 1 1 87 87 VAL HA H 87 4.924 4.924 5.119 -0.195 25576 9791 1 18 . 1 1 87 87 VAL C C 87 176.064 176.064 174.686 1.378 25576 9792 1 18 . 1 1 87 87 VAL CA C 87 61.311 61.311 60.347 0.964 25576 9793 1 18 . 1 1 87 87 VAL CB C 87 35.067 35.067 35.186 -0.119 25576 9794 1 18 . 1 1 87 87 VAL H H 87 8.191 8.191 8.364 -0.173 25576 9795 1 18 . 1 1 88 88 ILE N N 88 127.353 127.353 126.801 0.552 25576 9796 1 18 . 1 1 88 88 ILE HA H 88 4.845 4.845 4.666 0.179 25576 9797 1 18 . 1 1 88 88 ILE C C 88 174.967 174.967 173.952 1.015 25576 9798 1 18 . 1 1 88 88 ILE CA C 88 59.381 59.381 59.949 -0.568 25576 9799 1 18 . 1 1 88 88 ILE CB C 88 40.984 40.984 40.921 0.063 25576 9800 1 18 . 1 1 88 88 ILE H H 88 9.165 9.165 9.006 0.159 25576 9801 1 18 . 1 1 89 89 GLU N N 89 125.851 125.851 123.844 2.007 25576 9802 1 18 . 1 1 89 89 GLU HA H 89 4.820 4.820 4.664 0.156 25576 9803 1 18 . 1 1 89 89 GLU C C 89 175.262 175.262 174.774 0.488 25576 9804 1 18 . 1 1 89 89 GLU CA C 89 55.158 55.158 54.773 0.386 25576 9805 1 18 . 1 1 89 89 GLU CB C 89 33.359 33.359 32.264 1.095 25576 9806 1 18 . 1 1 89 89 GLU H H 89 8.858 8.858 8.711 0.147 25576 9807 1 18 . 1 1 90 90 VAL N N 90 119.735 119.735 125.420 -5.685 25576 9808 1 18 . 1 1 90 90 VAL HA H 90 4.817 4.817 5.365 -0.548 25576 9809 1 18 . 1 1 90 90 VAL C C 90 174.870 174.870 174.555 0.315 25576 9810 1 18 . 1 1 90 90 VAL CA C 90 59.412 59.412 60.248 -0.836 25576 9811 1 18 . 1 1 90 90 VAL CB C 90 34.031 34.031 34.230 -0.199 25576 9812 1 18 . 1 1 90 90 VAL H H 90 7.770 7.770 8.155 -0.385 25576 9813 1 18 . 1 1 91 91 TYR N N 91 124.243 124.243 124.709 -0.466 25576 9814 1 18 . 1 1 91 91 TYR HA H 91 4.621 4.621 4.718 -0.097 25576 9815 1 18 . 1 1 91 91 TYR C C 91 174.588 174.588 174.548 0.040 25576 9816 1 18 . 1 1 91 91 TYR CA C 91 56.018 56.018 56.890 -0.872 25576 9817 1 18 . 1 1 91 91 TYR CB C 91 42.641 42.641 42.024 0.617 25576 9818 1 18 . 1 1 91 91 TYR H H 91 8.540 8.540 9.315 -0.775 25576 9819 1 18 . 1 1 92 92 GLN N N 92 120.784 120.784 119.978 0.806 25576 9820 1 18 . 1 1 92 92 GLN HA H 92 4.529 4.529 4.638 -0.109 25576 9821 1 18 . 1 1 92 92 GLN C C 92 176.679 176.679 174.949 1.730 25576 9822 1 18 . 1 1 92 92 GLN CA C 92 56.135 56.135 55.258 0.876 25576 9823 1 18 . 1 1 92 92 GLN CB C 92 29.342 29.342 30.381 -1.039 25576 9824 1 18 . 1 1 92 92 GLN H H 92 8.726 8.726 8.778 -0.052 25576 9825 1 18 . 1 1 93 93 GLU N N 93 125.131 125.131 122.698 2.433 25576 9826 1 18 . 1 1 93 93 GLU HA H 93 4.364 4.364 4.501 -0.137 25576 9827 1 18 . 1 1 93 93 GLU C C 93 176.244 176.244 176.912 -0.668 25576 9828 1 18 . 1 1 93 93 GLU CA C 93 56.111 56.111 55.455 0.656 25576 9829 1 18 . 1 1 93 93 GLU CB C 93 30.517 30.517 30.290 0.227 25576 9830 1 18 . 1 1 93 93 GLU H H 93 8.419 8.419 8.947 -0.528 25576 9831 1 18 . 1 1 94 94 GLN N N 94 122.912 122.912 119.832 3.080 25576 9832 1 18 . 1 1 94 94 GLN HA H 94 4.439 4.439 4.148 0.291 25576 9833 1 18 . 1 1 94 94 GLN C C 94 176.135 176.135 176.354 -0.219 25576 9834 1 18 . 1 1 94 94 GLN CA C 94 55.585 55.585 56.425 -0.840 25576 9835 1 18 . 1 1 94 94 GLN CB C 94 29.513 29.513 29.405 0.108 25576 9836 1 18 . 1 1 94 94 GLN H H 94 8.780 8.780 7.879 0.901 25576 9837 1 18 . 1 1 95 95 THR N N 95 116.094 116.094 113.633 2.461 25576 9838 1 18 . 1 1 95 95 THR HA H 95 4.294 4.294 4.362 -0.068 25576 9839 1 18 . 1 1 95 95 THR C C 95 175.136 175.136 175.651 -0.515 25576 9840 1 18 . 1 1 95 95 THR CA C 95 61.971 61.971 61.853 0.117 25576 9841 1 18 . 1 1 95 95 THR CB C 95 69.829 69.829 68.924 0.905 25576 9842 1 18 . 1 1 95 95 THR H H 95 8.392 8.392 8.216 0.176 25576 9843 1 18 . 1 1 96 96 GLY N N 96 111.858 111.858 116.662 -4.804 25576 9844 1 18 . 1 1 96 96 GLY C C 96 173.704 173.704 174.650 -0.946 25576 9845 1 18 . 1 1 96 96 GLY CA C 96 45.424 45.424 44.677 0.747 25576 9846 1 18 . 1 1 96 96 GLY H H 96 8.508 8.508 8.738 -0.230 25576 9847 1 19 . 1 1 2 2 SER N N 2 116.367 116.367 115.964 0.403 25576 9848 1 19 . 1 1 2 2 SER HA H 2 4.458 4.458 4.543 -0.085 25576 9849 1 19 . 1 1 2 2 SER C C 2 174.579 174.579 174.166 0.413 25576 9850 1 19 . 1 1 2 2 SER CA C 2 58.539 58.539 58.074 0.465 25576 9851 1 19 . 1 1 2 2 SER CB C 2 63.940 63.940 63.633 0.307 25576 9852 1 19 . 1 1 2 2 SER H H 2 8.127 8.127 7.925 0.202 25576 9853 1 19 . 1 1 3 3 ASP N N 3 122.355 122.355 121.130 1.225 25576 9854 1 19 . 1 1 3 3 ASP HA H 3 4.566 4.566 4.506 0.060 25576 9855 1 19 . 1 1 3 3 ASP C C 3 176.445 176.445 175.042 1.403 25576 9856 1 19 . 1 1 3 3 ASP CA C 3 54.819 54.819 54.474 0.345 25576 9857 1 19 . 1 1 3 3 ASP CB C 3 40.939 40.939 40.679 0.259 25576 9858 1 19 . 1 1 3 3 ASP H H 3 8.360 8.360 8.079 0.281 25576 9859 1 19 . 1 1 4 4 GLN N N 4 119.955 119.955 119.707 0.248 25576 9860 1 19 . 1 1 4 4 GLN HA H 4 4.262 4.262 4.520 -0.258 25576 9861 1 19 . 1 1 4 4 GLN C C 4 176.138 176.138 176.075 0.063 25576 9862 1 19 . 1 1 4 4 GLN CA C 4 55.933 55.933 55.377 0.556 25576 9863 1 19 . 1 1 4 4 GLN CB C 4 29.411 29.411 29.771 -0.360 25576 9864 1 19 . 1 1 4 4 GLN H H 4 8.250 8.250 8.211 0.039 25576 9865 1 19 . 1 1 5 5 GLU N N 5 121.392 121.392 122.963 -1.571 25576 9866 1 19 . 1 1 5 5 GLU HA H 5 4.203 4.203 4.379 -0.176 25576 9867 1 19 . 1 1 5 5 GLU C C 5 176.137 176.137 175.490 0.647 25576 9868 1 19 . 1 1 5 5 GLU CA C 5 56.480 56.480 55.768 0.712 25576 9869 1 19 . 1 1 5 5 GLU CB C 5 30.261 30.261 30.227 0.034 25576 9870 1 19 . 1 1 5 5 GLU H H 5 8.292 8.292 8.798 -0.506 25576 9871 1 19 . 1 1 6 6 ALA N N 6 125.339 125.339 122.734 2.605 25576 9872 1 19 . 1 1 6 6 ALA HA H 6 4.261 4.261 4.661 -0.400 25576 9873 1 19 . 1 1 6 6 ALA C C 6 177.348 177.348 176.955 0.393 25576 9874 1 19 . 1 1 6 6 ALA CA C 6 52.319 52.319 51.691 0.628 25576 9875 1 19 . 1 1 6 6 ALA CB C 6 19.120 19.120 19.614 -0.494 25576 9876 1 19 . 1 1 6 6 ALA H H 6 8.253 8.253 8.413 -0.160 25576 9877 1 19 . 1 1 7 7 LYS N N 7 122.299 122.299 122.914 -0.615 25576 9878 1 19 . 1 1 7 7 LYS HA H 7 4.573 4.573 4.677 -0.104 25576 9879 1 19 . 1 1 7 7 LYS CA C 7 54.062 54.062 53.824 0.238 25576 9880 1 19 . 1 1 7 7 LYS CB C 7 32.588 32.588 31.557 1.031 25576 9881 1 19 . 1 1 7 7 LYS H H 7 8.302 8.302 8.084 0.218 25576 9882 1 19 . 1 1 8 8 PRO HA H 8 4.425 4.425 4.517 -0.092 25576 9883 1 19 . 1 1 8 8 PRO C C 8 177.020 177.020 176.507 0.513 25576 9884 1 19 . 1 1 8 8 PRO CA C 8 63.029 63.029 62.920 0.109 25576 9885 1 19 . 1 1 8 8 PRO CB C 8 32.158 32.158 32.323 -0.165 25576 9886 1 19 . 1 1 9 9 SER N N 9 116.888 116.888 115.081 1.807 25576 9887 1 19 . 1 1 9 9 SER HA H 9 4.479 4.479 4.502 -0.023 25576 9888 1 19 . 1 1 9 9 SER C C 9 174.261 174.261 174.525 -0.264 25576 9889 1 19 . 1 1 9 9 SER CA C 9 58.299 58.299 59.186 -0.887 25576 9890 1 19 . 1 1 9 9 SER CB C 9 63.848 63.848 63.774 0.074 25576 9891 1 19 . 1 1 9 9 SER H H 9 8.596 8.596 8.660 -0.064 25576 9892 1 19 . 1 1 10 10 THR N N 10 115.838 115.838 114.919 0.919 25576 9893 1 19 . 1 1 10 10 THR HA H 10 4.334 4.334 4.385 -0.051 25576 9894 1 19 . 1 1 10 10 THR C C 10 176.158 176.158 172.499 3.659 25576 9895 1 19 . 1 1 10 10 THR CA C 10 61.966 61.966 61.744 0.222 25576 9896 1 19 . 1 1 10 10 THR CB C 10 69.581 69.581 69.839 -0.258 25576 9897 1 19 . 1 1 10 10 THR H H 10 8.247 8.247 7.435 0.812 25576 9898 1 19 . 1 1 11 11 GLU N N 11 122.975 122.975 122.503 0.472 25576 9899 1 19 . 1 1 11 11 GLU HA H 11 4.237 4.237 4.666 -0.429 25576 9900 1 19 . 1 1 11 11 GLU C C 11 175.920 175.920 174.635 1.285 25576 9901 1 19 . 1 1 11 11 GLU CA C 11 56.779 56.779 56.746 0.033 25576 9902 1 19 . 1 1 11 11 GLU CB C 11 29.869 29.869 30.487 -0.618 25576 9903 1 19 . 1 1 11 11 GLU H H 11 8.355 8.355 8.367 -0.012 25576 9904 1 19 . 1 1 12 12 ASP N N 12 122.117 122.117 124.219 -2.102 25576 9905 1 19 . 1 1 12 12 ASP HA H 12 4.562 4.562 4.711 -0.149 25576 9906 1 19 . 1 1 12 12 ASP C C 12 176.402 176.402 174.665 1.737 25576 9907 1 19 . 1 1 12 12 ASP CA C 12 54.224 54.224 53.836 0.388 25576 9908 1 19 . 1 1 12 12 ASP CB C 12 41.161 41.161 42.103 -0.942 25576 9909 1 19 . 1 1 12 12 ASP H H 12 8.411 8.411 8.174 0.237 25576 9910 1 19 . 1 1 13 13 LEU N N 13 123.695 123.695 119.134 4.561 25576 9911 1 19 . 1 1 13 13 LEU HA H 13 4.306 4.306 5.198 -0.892 25576 9912 1 19 . 1 1 13 13 LEU C C 13 178.231 178.231 175.363 2.868 25576 9913 1 19 . 1 1 13 13 LEU CA C 13 55.384 55.384 53.992 1.393 25576 9914 1 19 . 1 1 13 13 LEU CB C 13 42.132 42.132 44.712 -2.580 25576 9915 1 19 . 1 1 13 13 LEU H H 13 8.391 8.391 8.637 -0.246 25576 9916 1 19 . 1 1 14 14 GLY N N 14 108.928 108.928 108.020 0.908 25576 9917 1 19 . 1 1 14 14 GLY C C 14 174.014 174.014 173.577 0.437 25576 9918 1 19 . 1 1 14 14 GLY CA C 14 45.600 45.600 45.188 0.412 25576 9919 1 19 . 1 1 14 14 GLY H H 14 8.456 8.456 8.405 0.051 25576 9920 1 19 . 1 1 15 15 ASP N N 15 120.427 120.427 120.659 -0.232 25576 9921 1 19 . 1 1 15 15 ASP HA H 15 4.544 4.544 4.641 -0.097 25576 9922 1 19 . 1 1 15 15 ASP C C 15 176.810 176.810 176.445 0.365 25576 9923 1 19 . 1 1 15 15 ASP CA C 15 54.389 54.389 54.564 -0.175 25576 9924 1 19 . 1 1 15 15 ASP CB C 15 41.153 41.153 41.976 -0.823 25576 9925 1 19 . 1 1 15 15 ASP H H 15 8.207 8.207 8.001 0.206 25576 9926 1 19 . 1 1 16 16 LYS N N 16 121.257 121.257 122.112 -0.855 25576 9927 1 19 . 1 1 16 16 LYS HA H 16 4.269 4.269 4.529 -0.260 25576 9928 1 19 . 1 1 16 16 LYS C C 16 176.470 176.470 176.370 0.100 25576 9929 1 19 . 1 1 16 16 LYS CA C 16 56.579 56.579 55.395 1.184 25576 9930 1 19 . 1 1 16 16 LYS CB C 16 29.470 29.470 33.515 -4.045 25576 9931 1 19 . 1 1 16 16 LYS H H 16 8.302 8.302 8.387 -0.085 25576 9932 1 19 . 1 1 17 17 LYS N N 17 122.205 122.205 121.838 0.367 25576 9933 1 19 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.468 -0.201 25576 9934 1 19 . 1 1 17 17 LYS C C 17 176.837 176.837 176.654 0.183 25576 9935 1 19 . 1 1 17 17 LYS CA C 17 56.177 56.177 56.071 0.106 25576 9936 1 19 . 1 1 17 17 LYS CB C 17 32.684 32.684 33.064 -0.380 25576 9937 1 19 . 1 1 17 17 LYS H H 17 8.383 8.383 8.378 0.005 25576 9938 1 19 . 1 1 18 18 GLU N N 18 121.859 121.859 121.607 0.252 25576 9939 1 19 . 1 1 18 18 GLU HA H 18 4.252 4.252 4.580 -0.328 25576 9940 1 19 . 1 1 18 18 GLU C C 18 176.964 176.964 175.527 1.437 25576 9941 1 19 . 1 1 18 18 GLU CA C 18 57.094 57.094 55.361 1.733 25576 9942 1 19 . 1 1 18 18 GLU CB C 18 30.261 30.261 30.593 -0.332 25576 9943 1 19 . 1 1 18 18 GLU H H 18 8.497 8.497 8.241 0.256 25576 9944 1 19 . 1 1 19 19 GLY N N 19 109.716 109.716 108.310 1.406 25576 9945 1 19 . 1 1 19 19 GLY C C 19 173.520 173.520 173.940 -0.420 25576 9946 1 19 . 1 1 19 19 GLY CA C 19 45.386 45.386 45.062 0.324 25576 9947 1 19 . 1 1 19 19 GLY H H 19 8.447 8.447 7.971 0.476 25576 9948 1 19 . 1 1 20 20 GLU N N 20 119.640 119.640 119.787 -0.147 25576 9949 1 19 . 1 1 20 20 GLU HA H 20 4.255 4.255 4.471 -0.216 25576 9950 1 19 . 1 1 20 20 GLU C C 20 175.453 175.453 175.168 0.285 25576 9951 1 19 . 1 1 20 20 GLU CA C 20 56.726 56.726 55.615 1.111 25576 9952 1 19 . 1 1 20 20 GLU CB C 20 30.806 30.806 30.646 0.160 25576 9953 1 19 . 1 1 20 20 GLU H H 20 8.227 8.227 8.468 -0.241 25576 9954 1 19 . 1 1 21 21 TYR N N 21 119.301 119.301 118.046 1.255 25576 9955 1 19 . 1 1 21 21 TYR HA H 21 5.083 5.083 5.026 0.057 25576 9956 1 19 . 1 1 21 21 TYR C C 21 175.805 175.805 174.679 1.126 25576 9957 1 19 . 1 1 21 21 TYR CA C 21 57.427 57.427 56.280 1.147 25576 9958 1 19 . 1 1 21 21 TYR CB C 21 41.620 41.620 39.500 2.120 25576 9959 1 19 . 1 1 21 21 TYR H H 21 8.367 8.367 7.284 1.083 25576 9960 1 19 . 1 1 22 22 ILE N N 22 116.642 116.642 115.692 0.950 25576 9961 1 19 . 1 1 22 22 ILE HA H 22 4.787 4.787 4.739 0.048 25576 9962 1 19 . 1 1 22 22 ILE C C 22 173.467 173.467 174.597 -1.130 25576 9963 1 19 . 1 1 22 22 ILE CA C 22 59.685 59.685 59.242 0.443 25576 9964 1 19 . 1 1 22 22 ILE CB C 22 42.383 42.383 41.832 0.551 25576 9965 1 19 . 1 1 22 22 ILE H H 22 9.151 9.151 9.032 0.119 25576 9966 1 19 . 1 1 23 23 LYS N N 23 124.306 124.306 119.658 4.648 25576 9967 1 19 . 1 1 23 23 LYS HA H 23 5.289 5.289 5.260 0.029 25576 9968 1 19 . 1 1 23 23 LYS C C 23 175.553 175.553 175.639 -0.086 25576 9969 1 19 . 1 1 23 23 LYS CA C 23 55.629 55.629 55.249 0.380 25576 9970 1 19 . 1 1 23 23 LYS CB C 23 33.744 33.744 34.786 -1.042 25576 9971 1 19 . 1 1 23 23 LYS H H 23 8.623 8.623 8.277 0.346 25576 9972 1 19 . 1 1 24 24 LEU N N 24 124.177 124.177 121.899 2.278 25576 9973 1 19 . 1 1 24 24 LEU HA H 24 4.974 4.974 5.158 -0.184 25576 9974 1 19 . 1 1 24 24 LEU C C 24 175.910 175.910 174.467 1.443 25576 9975 1 19 . 1 1 24 24 LEU CA C 24 52.835 52.835 53.910 -1.075 25576 9976 1 19 . 1 1 24 24 LEU CB C 24 46.661 46.661 47.065 -0.404 25576 9977 1 19 . 1 1 24 24 LEU H H 24 8.940 8.940 8.868 0.072 25576 9978 1 19 . 1 1 25 25 LYS N N 25 120.635 120.635 120.220 0.415 25576 9979 1 19 . 1 1 25 25 LYS HA H 25 4.714 4.714 4.716 -0.002 25576 9980 1 19 . 1 1 25 25 LYS C C 25 174.125 174.125 173.995 0.130 25576 9981 1 19 . 1 1 25 25 LYS CA C 25 55.122 55.122 53.741 1.381 25576 9982 1 19 . 1 1 25 25 LYS CB C 25 34.919 34.919 36.545 -1.626 25576 9983 1 19 . 1 1 25 25 LYS H H 25 8.621 8.621 8.577 0.044 25576 9984 1 19 . 1 1 26 26 VAL N N 26 124.130 124.130 124.150 -0.020 25576 9985 1 19 . 1 1 26 26 VAL HA H 26 5.043 5.043 4.791 0.252 25576 9986 1 19 . 1 1 26 26 VAL C C 26 176.195 176.195 174.500 1.695 25576 9987 1 19 . 1 1 26 26 VAL CA C 26 61.193 61.193 59.943 1.250 25576 9988 1 19 . 1 1 26 26 VAL CB C 26 32.270 32.270 35.392 -3.122 25576 9989 1 19 . 1 1 26 26 VAL H H 26 9.113 9.113 8.662 0.451 25576 9990 1 19 . 1 1 27 27 ILE N N 27 128.245 128.245 126.625 1.620 25576 9991 1 19 . 1 1 27 27 ILE HA H 27 5.012 5.012 4.401 0.611 25576 9992 1 19 . 1 1 27 27 ILE C C 27 175.976 175.976 175.151 0.825 25576 9993 1 19 . 1 1 27 27 ILE CA C 27 59.910 59.910 58.596 1.314 25576 9994 1 19 . 1 1 27 27 ILE CB C 27 39.851 39.851 37.823 2.028 25576 9995 1 19 . 1 1 27 27 ILE H H 27 9.063 9.063 8.357 0.706 25576 9996 1 19 . 1 1 28 28 GLY N N 28 113.332 113.332 112.242 1.090 25576 9997 1 19 . 1 1 28 28 GLY C C 28 175.505 175.505 175.429 0.076 25576 9998 1 19 . 1 1 28 28 GLY CA C 28 43.958 43.958 43.925 0.033 25576 9999 1 19 . 1 1 28 28 GLY H H 28 8.485 8.485 7.945 0.540 25576 10000 1 19 . 1 1 29 29 GLN N N 29 120.493 120.493 118.986 1.507 25576 10001 1 19 . 1 1 29 29 GLN HA H 29 4.113 4.113 4.106 0.007 25576 10002 1 19 . 1 1 29 29 GLN C C 29 176.003 176.003 176.525 -0.522 25576 10003 1 19 . 1 1 29 29 GLN CA C 29 57.808 57.808 57.983 -0.175 25576 10004 1 19 . 1 1 29 29 GLN CB C 29 28.735 28.735 28.388 0.347 25576 10005 1 19 . 1 1 29 29 GLN H H 29 8.768 8.768 8.690 0.078 25576 10006 1 19 . 1 1 30 30 ASP N N 30 118.342 118.342 117.825 0.517 25576 10007 1 19 . 1 1 30 30 ASP HA H 30 4.537 4.537 4.716 -0.179 25576 10008 1 19 . 1 1 30 30 ASP C C 30 176.461 176.461 175.297 1.164 25576 10009 1 19 . 1 1 30 30 ASP CA C 30 53.271 53.271 53.207 0.064 25576 10010 1 19 . 1 1 30 30 ASP CB C 30 39.867 39.867 40.623 -0.756 25576 10011 1 19 . 1 1 30 30 ASP H H 30 8.335 8.335 7.928 0.407 25576 10012 1 19 . 1 1 31 31 SER N N 31 111.069 111.069 112.228 -1.159 25576 10013 1 19 . 1 1 31 31 SER HA H 31 4.044 4.044 4.067 -0.023 25576 10014 1 19 . 1 1 31 31 SER C C 31 173.554 173.554 173.285 0.269 25576 10015 1 19 . 1 1 31 31 SER CA C 31 60.529 60.529 58.493 2.036 25576 10016 1 19 . 1 1 31 31 SER CB C 31 62.268 62.268 62.435 -0.167 25576 10017 1 19 . 1 1 31 31 SER H H 31 7.997 7.997 7.812 0.185 25576 10018 1 19 . 1 1 32 32 SER N N 32 117.489 117.489 116.595 0.894 25576 10019 1 19 . 1 1 32 32 SER HA H 32 4.380 4.380 4.348 0.032 25576 10020 1 19 . 1 1 32 32 SER C C 32 173.550 173.550 174.458 -0.908 25576 10021 1 19 . 1 1 32 32 SER CA C 32 58.590 58.590 59.103 -0.513 25576 10022 1 19 . 1 1 32 32 SER CB C 32 64.008 64.008 63.667 0.341 25576 10023 1 19 . 1 1 32 32 SER H H 32 8.081 8.081 7.925 0.156 25576 10024 1 19 . 1 1 33 33 GLU N N 33 121.738 121.738 129.295 -7.557 25576 10025 1 19 . 1 1 33 33 GLU HA H 33 5.131 5.131 5.111 0.020 25576 10026 1 19 . 1 1 33 33 GLU C C 33 175.317 175.317 175.893 -0.576 25576 10027 1 19 . 1 1 33 33 GLU CA C 33 55.212 55.212 55.553 -0.341 25576 10028 1 19 . 1 1 33 33 GLU CB C 33 32.596 32.596 30.328 2.268 25576 10029 1 19 . 1 1 33 33 GLU H H 33 8.616 8.616 8.569 0.047 25576 10030 1 19 . 1 1 34 34 ILE N N 34 124.389 124.389 125.056 -0.667 25576 10031 1 19 . 1 1 34 34 ILE HA H 34 4.359 4.359 4.462 -0.103 25576 10032 1 19 . 1 1 34 34 ILE C C 34 174.612 174.612 174.998 -0.386 25576 10033 1 19 . 1 1 34 34 ILE CA C 34 60.266 60.266 59.435 0.831 25576 10034 1 19 . 1 1 34 34 ILE CB C 34 40.906 40.906 39.700 1.206 25576 10035 1 19 . 1 1 34 34 ILE H H 34 8.670 8.670 8.353 0.317 25576 10036 1 19 . 1 1 35 35 HIS N N 35 125.683 125.683 124.674 1.009 25576 10037 1 19 . 1 1 35 35 HIS HA H 35 5.597 5.597 4.851 0.746 25576 10038 1 19 . 1 1 35 35 HIS C C 35 174.902 174.902 174.352 0.550 25576 10039 1 19 . 1 1 35 35 HIS CA C 35 54.765 54.765 53.916 0.849 25576 10040 1 19 . 1 1 35 35 HIS CB C 35 32.411 32.411 32.738 -0.327 25576 10041 1 19 . 1 1 35 35 HIS H H 35 8.699 8.699 8.636 0.063 25576 10042 1 19 . 1 1 36 36 PHE N N 36 119.920 119.920 119.211 0.709 25576 10043 1 19 . 1 1 36 36 PHE HA H 36 4.949 4.949 5.021 -0.072 25576 10044 1 19 . 1 1 36 36 PHE C C 36 174.000 174.000 173.577 0.423 25576 10045 1 19 . 1 1 36 36 PHE CA C 36 57.003 57.003 56.097 0.906 25576 10046 1 19 . 1 1 36 36 PHE CB C 36 44.431 44.431 41.353 3.078 25576 10047 1 19 . 1 1 36 36 PHE H H 36 9.103 9.103 8.014 1.089 25576 10048 1 19 . 1 1 37 37 LYS N N 37 123.747 123.747 122.473 1.274 25576 10049 1 19 . 1 1 37 37 LYS HA H 37 4.294 4.294 5.164 -0.870 25576 10050 1 19 . 1 1 37 37 LYS C C 37 176.145 176.145 175.408 0.737 25576 10051 1 19 . 1 1 37 37 LYS CA C 37 55.448 55.448 55.509 -0.061 25576 10052 1 19 . 1 1 37 37 LYS CB C 37 33.467 33.467 33.032 0.435 25576 10053 1 19 . 1 1 37 37 LYS H H 37 8.787 8.787 8.440 0.347 25576 10054 1 19 . 1 1 38 38 VAL N N 38 119.736 119.736 118.023 1.713 25576 10055 1 19 . 1 1 38 38 VAL HA H 38 4.957 4.957 4.574 0.383 25576 10056 1 19 . 1 1 38 38 VAL C C 38 174.245 174.245 174.014 0.231 25576 10057 1 19 . 1 1 38 38 VAL CA C 38 58.935 58.935 58.746 0.189 25576 10058 1 19 . 1 1 38 38 VAL CB C 38 35.429 35.429 35.373 0.056 25576 10059 1 19 . 1 1 38 38 VAL H H 38 9.138 9.138 8.697 0.441 25576 10060 1 19 . 1 1 39 39 LYS N N 39 122.359 122.359 121.160 1.199 25576 10061 1 19 . 1 1 39 39 LYS HA H 39 3.837 3.837 4.498 -0.661 25576 10062 1 19 . 1 1 39 39 LYS C C 39 179.383 179.383 177.564 1.819 25576 10063 1 19 . 1 1 39 39 LYS CA C 39 56.814 56.814 55.966 0.848 25576 10064 1 19 . 1 1 39 39 LYS CB C 39 30.576 30.576 34.085 -3.509 25576 10065 1 19 . 1 1 39 39 LYS H H 39 8.611 8.611 8.451 0.160 25576 10066 1 19 . 1 1 40 40 MET N N 40 119.929 119.929 119.916 0.013 25576 10067 1 19 . 1 1 40 40 MET HA H 40 4.103 4.103 4.336 -0.233 25576 10068 1 19 . 1 1 40 40 MET C C 40 176.546 176.546 177.293 -0.747 25576 10069 1 19 . 1 1 40 40 MET CA C 40 57.320 57.320 58.705 -1.385 25576 10070 1 19 . 1 1 40 40 MET CB C 40 30.903 30.903 32.837 -1.934 25576 10071 1 19 . 1 1 40 40 MET H H 40 8.562 8.562 9.203 -0.641 25576 10072 1 19 . 1 1 41 41 THR N N 41 100.263 100.263 108.999 -8.736 25576 10073 1 19 . 1 1 41 41 THR HA H 41 4.349 4.349 4.427 -0.078 25576 10074 1 19 . 1 1 41 41 THR C C 41 174.506 174.506 174.093 0.413 25576 10075 1 19 . 1 1 41 41 THR CA C 41 60.147 60.147 61.078 -0.931 25576 10076 1 19 . 1 1 41 41 THR CB C 41 68.836 68.836 68.261 0.575 25576 10077 1 19 . 1 1 41 41 THR H H 41 6.974 6.974 8.033 -1.059 25576 10078 1 19 . 1 1 42 42 THR N N 42 120.616 120.616 116.405 4.211 25576 10079 1 19 . 1 1 42 42 THR HA H 42 4.187 4.187 4.357 -0.170 25576 10080 1 19 . 1 1 42 42 THR C C 42 174.052 174.052 172.895 1.157 25576 10081 1 19 . 1 1 42 42 THR CA C 42 63.153 63.153 60.566 2.587 25576 10082 1 19 . 1 1 42 42 THR CB C 42 69.645 69.645 70.549 -0.904 25576 10083 1 19 . 1 1 42 42 THR H H 42 7.192 7.192 7.426 -0.234 25576 10084 1 19 . 1 1 43 43 HIS N N 43 126.236 126.236 121.274 4.962 25576 10085 1 19 . 1 1 43 43 HIS HA H 43 4.411 4.411 4.589 -0.178 25576 10086 1 19 . 1 1 43 43 HIS C C 43 178.431 178.431 176.540 1.891 25576 10087 1 19 . 1 1 43 43 HIS CA C 43 57.366 57.366 55.986 1.380 25576 10088 1 19 . 1 1 43 43 HIS CB C 43 30.155 30.155 30.746 -0.591 25576 10089 1 19 . 1 1 43 43 HIS H H 43 8.807 8.807 8.491 0.316 25576 10090 1 19 . 1 1 44 44 LEU N N 44 124.757 124.757 124.564 0.193 25576 10091 1 19 . 1 1 44 44 LEU HA H 44 3.983 3.983 4.162 -0.179 25576 10092 1 19 . 1 1 44 44 LEU C C 44 177.051 177.051 177.886 -0.835 25576 10093 1 19 . 1 1 44 44 LEU CA C 44 58.790 58.790 55.406 3.384 25576 10094 1 19 . 1 1 44 44 LEU CB C 44 41.240 41.240 41.046 0.194 25576 10095 1 19 . 1 1 44 44 LEU H H 44 9.349 9.349 9.003 0.346 25576 10096 1 19 . 1 1 45 45 LYS N N 45 121.424 121.424 119.305 2.119 25576 10097 1 19 . 1 1 45 45 LYS HA H 45 3.584 3.584 3.821 -0.237 25576 10098 1 19 . 1 1 45 45 LYS C C 45 176.867 176.867 178.061 -1.194 25576 10099 1 19 . 1 1 45 45 LYS CA C 45 60.662 60.662 59.340 1.322 25576 10100 1 19 . 1 1 45 45 LYS CB C 45 33.389 33.389 31.122 2.267 25576 10101 1 19 . 1 1 45 45 LYS H H 45 8.543 8.543 7.777 0.766 25576 10102 1 19 . 1 1 46 46 LYS N N 46 114.033 114.033 118.712 -4.679 25576 10103 1 19 . 1 1 46 46 LYS HA H 46 4.087 4.087 4.177 -0.090 25576 10104 1 19 . 1 1 46 46 LYS C C 46 178.977 178.977 178.194 0.783 25576 10105 1 19 . 1 1 46 46 LYS CA C 46 58.615 58.615 58.943 -0.328 25576 10106 1 19 . 1 1 46 46 LYS CB C 46 31.643 31.643 31.883 -0.240 25576 10107 1 19 . 1 1 46 46 LYS H H 46 7.517 7.517 7.488 0.029 25576 10108 1 19 . 1 1 47 47 LEU N N 47 121.871 121.871 121.540 0.331 25576 10109 1 19 . 1 1 47 47 LEU HA H 47 3.660 3.660 3.818 -0.158 25576 10110 1 19 . 1 1 47 47 LEU C C 47 177.575 177.575 177.983 -0.408 25576 10111 1 19 . 1 1 47 47 LEU CA C 47 58.514 58.514 57.526 0.988 25576 10112 1 19 . 1 1 47 47 LEU CB C 47 41.890 41.890 41.682 0.208 25576 10113 1 19 . 1 1 47 47 LEU H H 47 6.739 6.739 7.215 -0.476 25576 10114 1 19 . 1 1 48 48 LYS N N 48 118.246 118.246 118.531 -0.285 25576 10115 1 19 . 1 1 48 48 LYS HA H 48 3.081 3.081 4.100 -1.019 25576 10116 1 19 . 1 1 48 48 LYS C C 48 178.700 178.700 178.702 -0.002 25576 10117 1 19 . 1 1 48 48 LYS CA C 48 59.712 59.712 59.599 0.113 25576 10118 1 19 . 1 1 48 48 LYS CB C 48 32.411 32.411 31.502 0.909 25576 10119 1 19 . 1 1 48 48 LYS H H 48 7.556 7.556 8.338 -0.782 25576 10120 1 19 . 1 1 49 49 GLU N N 49 118.092 118.092 119.274 -1.182 25576 10121 1 19 . 1 1 49 49 GLU HA H 49 3.973 3.973 4.019 -0.046 25576 10122 1 19 . 1 1 49 49 GLU C C 49 179.453 179.453 178.898 0.555 25576 10123 1 19 . 1 1 49 49 GLU CA C 49 59.627 59.627 58.712 0.915 25576 10124 1 19 . 1 1 49 49 GLU CB C 49 30.120 30.120 28.750 1.370 25576 10125 1 19 . 1 1 49 49 GLU H H 49 8.500 8.500 8.059 0.441 25576 10126 1 19 . 1 1 50 50 SER N N 50 115.646 115.646 117.007 -1.361 25576 10127 1 19 . 1 1 50 50 SER HA H 50 4.260 4.260 4.180 0.080 25576 10128 1 19 . 1 1 50 50 SER C C 50 177.171 177.171 176.631 0.540 25576 10129 1 19 . 1 1 50 50 SER CA C 50 61.947 61.947 62.195 -0.248 25576 10130 1 19 . 1 1 50 50 SER CB C 50 63.258 63.258 63.266 -0.008 25576 10131 1 19 . 1 1 50 50 SER H H 50 7.966 7.966 7.666 0.300 25576 10132 1 19 . 1 1 51 51 TYR N N 51 122.610 122.610 120.358 2.252 25576 10133 1 19 . 1 1 51 51 TYR HA H 51 4.026 4.026 4.450 -0.424 25576 10134 1 19 . 1 1 51 51 TYR C C 51 177.374 177.374 176.941 0.433 25576 10135 1 19 . 1 1 51 51 TYR CA C 51 63.608 63.608 59.942 3.666 25576 10136 1 19 . 1 1 51 51 TYR CB C 51 38.618 38.618 37.543 1.075 25576 10137 1 19 . 1 1 51 51 TYR H H 51 8.833 8.833 8.091 0.742 25576 10138 1 19 . 1 1 52 52 CYS N N 52 117.395 117.395 119.730 -2.335 25576 10139 1 19 . 1 1 52 52 CYS HA H 52 3.915 3.915 3.758 0.157 25576 10140 1 19 . 1 1 52 52 CYS C C 52 177.182 177.182 176.585 0.597 25576 10141 1 19 . 1 1 52 52 CYS CA C 52 65.108 65.108 64.492 0.616 25576 10142 1 19 . 1 1 52 52 CYS CB C 52 26.151 26.151 27.160 -1.010 25576 10143 1 19 . 1 1 52 52 CYS H H 52 8.676 8.676 7.267 1.409 25576 10144 1 19 . 1 1 53 53 GLN N N 53 119.196 119.196 118.886 0.310 25576 10145 1 19 . 1 1 53 53 GLN HA H 53 4.109 4.109 3.982 0.127 25576 10146 1 19 . 1 1 53 53 GLN C C 53 179.105 179.105 178.130 0.975 25576 10147 1 19 . 1 1 53 53 GLN CA C 53 58.973 58.973 58.317 0.656 25576 10148 1 19 . 1 1 53 53 GLN CB C 53 28.211 28.211 28.003 0.208 25576 10149 1 19 . 1 1 53 53 GLN H H 53 8.322 8.322 7.977 0.345 25576 10150 1 19 . 1 1 54 54 ARG N N 54 120.139 120.139 119.494 0.645 25576 10151 1 19 . 1 1 54 54 ARG HA H 54 4.018 4.018 4.077 -0.059 25576 10152 1 19 . 1 1 54 54 ARG C C 54 178.300 178.300 178.859 -0.559 25576 10153 1 19 . 1 1 54 54 ARG CA C 54 58.552 58.552 58.288 0.264 25576 10154 1 19 . 1 1 54 54 ARG CB C 54 29.669 29.669 29.833 -0.164 25576 10155 1 19 . 1 1 54 54 ARG H H 54 8.011 8.011 7.755 0.256 25576 10156 1 19 . 1 1 55 55 GLN N N 55 114.160 114.160 115.886 -1.726 25576 10157 1 19 . 1 1 55 55 GLN HA H 55 4.251 4.251 4.283 -0.032 25576 10158 1 19 . 1 1 55 55 GLN C C 55 176.410 176.410 177.143 -0.733 25576 10159 1 19 . 1 1 55 55 GLN CA C 55 55.119 55.119 57.379 -2.260 25576 10160 1 19 . 1 1 55 55 GLN CB C 55 29.424 29.424 29.509 -0.085 25576 10161 1 19 . 1 1 55 55 GLN H H 55 7.806 7.806 7.795 0.011 25576 10162 1 19 . 1 1 56 56 GLY N N 56 109.749 109.749 107.568 2.181 25576 10163 1 19 . 1 1 56 56 GLY C C 56 174.908 174.908 174.046 0.862 25576 10164 1 19 . 1 1 56 56 GLY CA C 56 46.658 46.658 45.339 1.319 25576 10165 1 19 . 1 1 56 56 GLY H H 56 7.932 7.932 7.754 0.178 25576 10166 1 19 . 1 1 57 57 VAL N N 57 111.990 111.990 116.036 -4.046 25576 10167 1 19 . 1 1 57 57 VAL HA H 57 4.941 4.941 4.733 0.208 25576 10168 1 19 . 1 1 57 57 VAL CA C 57 57.534 57.534 57.718 -0.184 25576 10169 1 19 . 1 1 57 57 VAL CB C 57 32.697 32.697 33.736 -1.038 25576 10170 1 19 . 1 1 57 57 VAL H H 57 7.651 7.651 7.549 0.102 25576 10171 1 19 . 1 1 58 58 PRO HA H 58 4.528 4.528 4.639 -0.111 25576 10172 1 19 . 1 1 58 58 PRO C C 58 179.169 179.169 177.527 1.642 25576 10173 1 19 . 1 1 58 58 PRO CA C 58 62.211 62.211 62.343 -0.132 25576 10174 1 19 . 1 1 58 58 PRO CB C 58 32.543 32.543 32.640 -0.097 25576 10175 1 19 . 1 1 59 59 MET N N 59 124.522 124.522 119.491 5.031 25576 10176 1 19 . 1 1 59 59 MET HA H 59 4.703 4.703 4.204 0.499 25576 10177 1 19 . 1 1 59 59 MET C C 59 177.459 177.459 175.797 1.662 25576 10178 1 19 . 1 1 59 59 MET CA C 59 58.247 58.247 57.925 0.322 25576 10179 1 19 . 1 1 59 59 MET CB C 59 32.795 32.795 32.456 0.339 25576 10180 1 19 . 1 1 59 59 MET H H 59 9.002 9.002 8.551 0.451 25576 10181 1 19 . 1 1 60 60 ASN N N 60 113.185 113.185 112.975 0.210 25576 10182 1 19 . 1 1 60 60 ASN HA H 60 4.673 4.673 4.628 0.045 25576 10183 1 19 . 1 1 60 60 ASN C C 60 175.674 175.674 176.102 -0.428 25576 10184 1 19 . 1 1 60 60 ASN CA C 60 53.935 53.935 53.553 0.382 25576 10185 1 19 . 1 1 60 60 ASN CB C 60 37.217 37.217 37.605 -0.388 25576 10186 1 19 . 1 1 60 60 ASN H H 60 8.424 8.424 8.126 0.298 25576 10187 1 19 . 1 1 61 61 SER N N 61 113.092 113.092 114.543 -1.451 25576 10188 1 19 . 1 1 61 61 SER HA H 61 4.500 4.500 4.584 -0.084 25576 10189 1 19 . 1 1 61 61 SER C C 61 173.455 173.455 173.615 -0.160 25576 10190 1 19 . 1 1 61 61 SER CA C 61 59.609 59.609 59.937 -0.328 25576 10191 1 19 . 1 1 61 61 SER CB C 61 64.812 64.812 64.421 0.391 25576 10192 1 19 . 1 1 61 61 SER H H 61 7.931 7.931 7.651 0.280 25576 10193 1 19 . 1 1 62 62 LEU N N 62 120.961 120.961 117.512 3.449 25576 10194 1 19 . 1 1 62 62 LEU HA H 62 5.109 5.109 5.088 0.021 25576 10195 1 19 . 1 1 62 62 LEU C C 62 175.588 175.588 175.709 -0.121 25576 10196 1 19 . 1 1 62 62 LEU CA C 62 53.575 53.575 53.005 0.570 25576 10197 1 19 . 1 1 62 62 LEU CB C 62 46.262 46.262 44.682 1.579 25576 10198 1 19 . 1 1 62 62 LEU H H 62 7.265 7.265 7.165 0.100 25576 10199 1 19 . 1 1 63 63 ARG N N 63 120.142 120.142 119.718 0.424 25576 10200 1 19 . 1 1 63 63 ARG HA H 63 4.668 4.668 4.398 0.270 25576 10201 1 19 . 1 1 63 63 ARG C C 63 172.784 172.784 175.047 -2.263 25576 10202 1 19 . 1 1 63 63 ARG CA C 63 54.488 54.488 54.472 0.016 25576 10203 1 19 . 1 1 63 63 ARG CB C 63 33.111 33.111 32.014 1.097 25576 10204 1 19 . 1 1 63 63 ARG H H 63 8.993 8.993 8.910 0.083 25576 10205 1 19 . 1 1 64 64 PHE N N 64 122.537 122.537 122.399 0.138 25576 10206 1 19 . 1 1 64 64 PHE HA H 64 4.959 4.959 5.483 -0.524 25576 10207 1 19 . 1 1 64 64 PHE C C 64 174.150 174.150 174.332 -0.182 25576 10208 1 19 . 1 1 64 64 PHE CA C 64 56.347 56.347 55.033 1.314 25576 10209 1 19 . 1 1 64 64 PHE CB C 64 40.762 40.762 39.342 1.420 25576 10210 1 19 . 1 1 64 64 PHE H H 64 8.923 8.923 8.089 0.834 25576 10211 1 19 . 1 1 65 65 LEU N N 65 124.212 124.212 119.803 4.409 25576 10212 1 19 . 1 1 65 65 LEU HA H 65 5.290 5.290 5.731 -0.441 25576 10213 1 19 . 1 1 65 65 LEU C C 65 175.903 175.903 174.413 1.490 25576 10214 1 19 . 1 1 65 65 LEU CA C 65 53.729 53.729 53.385 0.344 25576 10215 1 19 . 1 1 65 65 LEU CB C 65 46.385 46.385 46.231 0.154 25576 10216 1 19 . 1 1 65 65 LEU H H 65 9.738 9.738 9.202 0.536 25576 10217 1 19 . 1 1 66 66 PHE N N 66 119.384 119.384 121.170 -1.786 25576 10218 1 19 . 1 1 66 66 PHE HA H 66 5.202 5.202 4.989 0.213 25576 10219 1 19 . 1 1 66 66 PHE C C 66 175.017 175.017 174.794 0.223 25576 10220 1 19 . 1 1 66 66 PHE CA C 66 56.291 56.291 57.433 -1.142 25576 10221 1 19 . 1 1 66 66 PHE CB C 66 41.700 41.700 42.644 -0.944 25576 10222 1 19 . 1 1 66 66 PHE H H 66 8.968 8.968 9.009 -0.041 25576 10223 1 19 . 1 1 67 67 GLU N N 67 129.196 129.196 125.045 4.151 25576 10224 1 19 . 1 1 67 67 GLU HA H 67 3.540 3.540 3.609 -0.069 25576 10225 1 19 . 1 1 67 67 GLU C C 67 176.778 176.778 176.122 0.656 25576 10226 1 19 . 1 1 67 67 GLU CA C 67 56.769 56.769 56.875 -0.106 25576 10227 1 19 . 1 1 67 67 GLU CB C 67 26.897 26.897 27.472 -0.575 25576 10228 1 19 . 1 1 67 67 GLU H H 67 9.381 9.381 8.732 0.649 25576 10229 1 19 . 1 1 68 68 GLY N N 68 103.263 103.263 104.858 -1.595 25576 10230 1 19 . 1 1 68 68 GLY C C 68 173.651 173.651 173.125 0.526 25576 10231 1 19 . 1 1 68 68 GLY CA C 68 45.476 45.476 44.963 0.513 25576 10232 1 19 . 1 1 68 68 GLY H H 68 8.858 8.858 8.273 0.585 25576 10233 1 19 . 1 1 69 69 GLN N N 69 120.732 120.732 118.772 1.960 25576 10234 1 19 . 1 1 69 69 GLN HA H 69 4.589 4.589 4.741 -0.152 25576 10235 1 19 . 1 1 69 69 GLN C C 69 175.204 175.204 174.952 0.252 25576 10236 1 19 . 1 1 69 69 GLN CA C 69 53.776 53.776 53.842 -0.066 25576 10237 1 19 . 1 1 69 69 GLN CB C 69 30.660 30.660 31.733 -1.073 25576 10238 1 19 . 1 1 69 69 GLN H H 69 7.996 7.996 8.036 -0.040 25576 10239 1 19 . 1 1 70 70 ARG N N 70 125.102 125.102 124.935 0.167 25576 10240 1 19 . 1 1 70 70 ARG HA H 70 4.395 4.395 4.791 -0.396 25576 10241 1 19 . 1 1 70 70 ARG C C 70 177.004 177.004 175.580 1.424 25576 10242 1 19 . 1 1 70 70 ARG CA C 70 57.305 57.305 55.553 1.752 25576 10243 1 19 . 1 1 70 70 ARG CB C 70 30.511 30.511 30.936 -0.426 25576 10244 1 19 . 1 1 70 70 ARG H H 70 8.823 8.823 8.807 0.016 25576 10245 1 19 . 1 1 71 71 ILE N N 71 126.949 126.949 123.143 3.806 25576 10246 1 19 . 1 1 71 71 ILE HA H 71 4.477 4.477 4.478 -0.001 25576 10247 1 19 . 1 1 71 71 ILE C C 71 176.145 176.145 175.451 0.694 25576 10248 1 19 . 1 1 71 71 ILE CA C 71 61.337 61.337 59.544 1.793 25576 10249 1 19 . 1 1 71 71 ILE CB C 71 39.067 39.067 36.603 2.464 25576 10250 1 19 . 1 1 71 71 ILE H H 71 9.020 9.020 8.658 0.362 25576 10251 1 19 . 1 1 72 72 ALA N N 72 139.307 139.307 130.688 8.619 25576 10252 1 19 . 1 1 72 72 ALA HA H 72 4.334 4.334 4.561 -0.227 25576 10253 1 19 . 1 1 72 72 ALA C C 72 177.973 177.973 177.778 0.195 25576 10254 1 19 . 1 1 72 72 ALA CA C 72 50.785 50.785 50.285 0.500 25576 10255 1 19 . 1 1 72 72 ALA CB C 72 18.407 18.407 20.929 -2.522 25576 10256 1 19 . 1 1 72 72 ALA H H 72 10.910 10.910 8.037 2.873 25576 10257 1 19 . 1 1 73 73 ASP N N 73 120.493 120.493 118.510 1.983 25576 10258 1 19 . 1 1 73 73 ASP HA H 73 3.823 3.823 4.229 -0.406 25576 10259 1 19 . 1 1 73 73 ASP C C 73 176.104 176.104 176.609 -0.505 25576 10260 1 19 . 1 1 73 73 ASP CA C 73 57.113 57.113 57.266 -0.153 25576 10261 1 19 . 1 1 73 73 ASP CB C 73 40.032 40.032 40.845 -0.813 25576 10262 1 19 . 1 1 73 73 ASP H H 73 8.770 8.770 8.614 0.156 25576 10263 1 19 . 1 1 74 74 ASN N N 74 109.526 109.526 113.901 -4.375 25576 10264 1 19 . 1 1 74 74 ASN HA H 74 4.245 4.245 4.081 0.164 25576 10265 1 19 . 1 1 74 74 ASN C C 74 176.050 176.050 174.773 1.277 25576 10266 1 19 . 1 1 74 74 ASN CA C 74 52.073 52.073 52.621 -0.548 25576 10267 1 19 . 1 1 74 74 ASN CB C 74 37.343 37.343 38.536 -1.193 25576 10268 1 19 . 1 1 74 74 ASN H H 74 7.738 7.738 8.211 -0.473 25576 10269 1 19 . 1 1 75 75 HIS N N 75 119.821 119.821 120.549 -0.728 25576 10270 1 19 . 1 1 75 75 HIS HA H 75 4.908 4.908 4.628 0.280 25576 10271 1 19 . 1 1 75 75 HIS C C 75 175.680 175.680 174.118 1.562 25576 10272 1 19 . 1 1 75 75 HIS CA C 75 56.606 56.606 55.891 0.715 25576 10273 1 19 . 1 1 75 75 HIS CB C 75 33.549 33.549 31.310 2.239 25576 10274 1 19 . 1 1 75 75 HIS H H 75 7.149 7.149 7.499 -0.350 25576 10275 1 19 . 1 1 76 76 THR N N 76 108.304 108.304 113.706 -5.402 25576 10276 1 19 . 1 1 76 76 THR HA H 76 5.197 5.197 5.227 -0.030 25576 10277 1 19 . 1 1 76 76 THR CA C 76 57.594 57.594 57.682 -0.088 25576 10278 1 19 . 1 1 76 76 THR CB C 76 70.033 70.033 71.315 -1.282 25576 10279 1 19 . 1 1 76 76 THR H H 76 7.303 7.303 8.268 -0.965 25576 10280 1 19 . 1 1 77 77 PRO HA H 77 4.241 4.241 4.141 0.100 25576 10281 1 19 . 1 1 77 77 PRO C C 77 178.445 178.445 177.965 0.480 25576 10282 1 19 . 1 1 77 77 PRO CA C 77 65.724 65.724 65.200 0.524 25576 10283 1 19 . 1 1 77 77 PRO CB C 77 32.479 32.479 31.890 0.590 25576 10284 1 19 . 1 1 78 78 LYS N N 78 115.329 115.329 116.499 -1.170 25576 10285 1 19 . 1 1 78 78 LYS HA H 78 3.956 3.956 4.076 -0.120 25576 10286 1 19 . 1 1 78 78 LYS C C 78 179.328 179.328 178.915 0.413 25576 10287 1 19 . 1 1 78 78 LYS CA C 78 59.012 59.012 59.034 -0.022 25576 10288 1 19 . 1 1 78 78 LYS CB C 78 32.845 32.845 31.636 1.209 25576 10289 1 19 . 1 1 78 78 LYS H H 78 8.073 8.073 7.611 0.462 25576 10290 1 19 . 1 1 79 79 GLU N N 79 120.840 120.840 119.723 1.117 25576 10291 1 19 . 1 1 79 79 GLU HA H 79 3.957 3.957 4.114 -0.157 25576 10292 1 19 . 1 1 79 79 GLU C C 79 178.566 178.566 178.455 0.111 25576 10293 1 19 . 1 1 79 79 GLU CA C 79 58.790 58.790 58.536 0.254 25576 10294 1 19 . 1 1 79 79 GLU CB C 79 30.290 30.290 29.391 0.899 25576 10295 1 19 . 1 1 79 79 GLU H H 79 7.978 7.978 7.649 0.329 25576 10296 1 19 . 1 1 80 80 LEU N N 80 115.072 115.072 117.528 -2.456 25576 10297 1 19 . 1 1 80 80 LEU HA H 80 4.222 4.222 4.322 -0.100 25576 10298 1 19 . 1 1 80 80 LEU C C 80 176.602 176.602 177.324 -0.722 25576 10299 1 19 . 1 1 80 80 LEU CA C 80 54.613 54.613 55.149 -0.536 25576 10300 1 19 . 1 1 80 80 LEU CB C 80 42.453 42.453 42.105 0.348 25576 10301 1 19 . 1 1 80 80 LEU H H 80 7.486 7.486 7.870 -0.384 25576 10302 1 19 . 1 1 81 81 GLY N N 81 108.019 108.019 106.439 1.580 25576 10303 1 19 . 1 1 81 81 GLY C C 81 175.390 175.390 174.031 1.359 25576 10304 1 19 . 1 1 81 81 GLY CA C 81 46.622 46.622 45.040 1.582 25576 10305 1 19 . 1 1 81 81 GLY H H 81 7.644 7.644 7.350 0.294 25576 10306 1 19 . 1 1 82 82 MET N N 82 117.606 117.606 118.459 -0.853 25576 10307 1 19 . 1 1 82 82 MET HA H 82 4.185 4.185 4.756 -0.571 25576 10308 1 19 . 1 1 82 82 MET C C 82 174.482 174.482 175.181 -0.699 25576 10309 1 19 . 1 1 82 82 MET CA C 82 57.019 57.019 54.964 2.055 25576 10310 1 19 . 1 1 82 82 MET CB C 82 34.089 34.089 35.495 -1.406 25576 10311 1 19 . 1 1 82 82 MET H H 82 7.628 7.628 8.169 -0.541 25576 10312 1 19 . 1 1 83 83 GLU N N 83 120.980 120.980 118.246 2.734 25576 10313 1 19 . 1 1 83 83 GLU HA H 83 4.457 4.457 4.771 -0.314 25576 10314 1 19 . 1 1 83 83 GLU C C 83 174.297 174.297 175.641 -1.344 25576 10315 1 19 . 1 1 83 83 GLU CA C 83 53.875 53.875 54.058 -0.183 25576 10316 1 19 . 1 1 83 83 GLU CB C 83 33.937 33.937 32.437 1.500 25576 10317 1 19 . 1 1 83 83 GLU H H 83 9.314 9.314 8.139 1.175 25576 10318 1 19 . 1 1 84 84 GLU N N 84 119.063 119.063 120.610 -1.547 25576 10319 1 19 . 1 1 84 84 GLU HA H 84 4.199 4.199 4.206 -0.007 25576 10320 1 19 . 1 1 84 84 GLU C C 84 177.527 177.527 176.485 1.042 25576 10321 1 19 . 1 1 84 84 GLU CA C 84 58.549 58.549 56.709 1.840 25576 10322 1 19 . 1 1 84 84 GLU CB C 84 29.993 29.993 29.594 0.399 25576 10323 1 19 . 1 1 84 84 GLU H H 84 8.341 8.341 8.553 -0.212 25576 10324 1 19 . 1 1 85 85 GLU N N 85 118.840 118.840 119.964 -1.124 25576 10325 1 19 . 1 1 85 85 GLU HA H 85 3.645 3.645 3.871 -0.226 25576 10326 1 19 . 1 1 85 85 GLU C C 85 175.047 175.047 175.121 -0.074 25576 10327 1 19 . 1 1 85 85 GLU CA C 85 58.846 58.846 57.916 0.930 25576 10328 1 19 . 1 1 85 85 GLU CB C 85 26.691 26.691 29.363 -2.672 25576 10329 1 19 . 1 1 85 85 GLU H H 85 9.357 9.357 9.107 0.250 25576 10330 1 19 . 1 1 86 86 ASP N N 86 120.217 120.217 117.930 2.287 25576 10331 1 19 . 1 1 86 86 ASP HA H 86 4.880 4.880 4.629 0.251 25576 10332 1 19 . 1 1 86 86 ASP C C 86 174.417 174.417 175.131 -0.714 25576 10333 1 19 . 1 1 86 86 ASP CA C 86 55.822 55.822 55.705 0.117 25576 10334 1 19 . 1 1 86 86 ASP CB C 86 41.926 41.926 42.611 -0.685 25576 10335 1 19 . 1 1 86 86 ASP H H 86 8.155 8.155 7.645 0.510 25576 10336 1 19 . 1 1 87 87 VAL N N 87 116.641 116.641 120.537 -3.896 25576 10337 1 19 . 1 1 87 87 VAL HA H 87 4.924 4.924 5.153 -0.229 25576 10338 1 19 . 1 1 87 87 VAL C C 87 176.064 176.064 174.660 1.404 25576 10339 1 19 . 1 1 87 87 VAL CA C 87 61.311 61.311 60.188 1.123 25576 10340 1 19 . 1 1 87 87 VAL CB C 87 35.067 35.067 34.906 0.161 25576 10341 1 19 . 1 1 87 87 VAL H H 87 8.191 8.191 8.297 -0.106 25576 10342 1 19 . 1 1 88 88 ILE N N 88 127.353 127.353 125.974 1.379 25576 10343 1 19 . 1 1 88 88 ILE HA H 88 4.845 4.845 4.590 0.255 25576 10344 1 19 . 1 1 88 88 ILE C C 88 174.967 174.967 173.897 1.070 25576 10345 1 19 . 1 1 88 88 ILE CA C 88 59.381 59.381 60.027 -0.646 25576 10346 1 19 . 1 1 88 88 ILE CB C 88 40.984 40.984 40.855 0.129 25576 10347 1 19 . 1 1 88 88 ILE H H 88 9.165 9.165 9.028 0.137 25576 10348 1 19 . 1 1 89 89 GLU N N 89 125.851 125.851 123.722 2.129 25576 10349 1 19 . 1 1 89 89 GLU HA H 89 4.820 4.820 4.634 0.186 25576 10350 1 19 . 1 1 89 89 GLU C C 89 175.262 175.262 174.786 0.476 25576 10351 1 19 . 1 1 89 89 GLU CA C 89 55.158 55.158 54.765 0.393 25576 10352 1 19 . 1 1 89 89 GLU CB C 89 33.359 33.359 32.138 1.221 25576 10353 1 19 . 1 1 89 89 GLU H H 89 8.858 8.858 8.591 0.267 25576 10354 1 19 . 1 1 90 90 VAL N N 90 119.735 119.735 125.341 -5.606 25576 10355 1 19 . 1 1 90 90 VAL HA H 90 4.817 4.817 5.407 -0.590 25576 10356 1 19 . 1 1 90 90 VAL C C 90 174.870 174.870 174.604 0.266 25576 10357 1 19 . 1 1 90 90 VAL CA C 90 59.412 59.412 60.104 -0.692 25576 10358 1 19 . 1 1 90 90 VAL CB C 90 34.031 34.031 34.346 -0.316 25576 10359 1 19 . 1 1 90 90 VAL H H 90 7.770 7.770 8.068 -0.298 25576 10360 1 19 . 1 1 91 91 TYR N N 91 124.243 124.243 124.481 -0.238 25576 10361 1 19 . 1 1 91 91 TYR HA H 91 4.621 4.621 4.705 -0.084 25576 10362 1 19 . 1 1 91 91 TYR C C 91 174.588 174.588 174.266 0.322 25576 10363 1 19 . 1 1 91 91 TYR CA C 91 56.018 56.018 56.847 -0.829 25576 10364 1 19 . 1 1 91 91 TYR CB C 91 42.641 42.641 42.112 0.529 25576 10365 1 19 . 1 1 91 91 TYR H H 91 8.540 8.540 9.076 -0.536 25576 10366 1 19 . 1 1 92 92 GLN N N 92 120.784 120.784 119.724 1.060 25576 10367 1 19 . 1 1 92 92 GLN HA H 92 4.529 4.529 4.680 -0.151 25576 10368 1 19 . 1 1 92 92 GLN C C 92 176.679 176.679 175.720 0.959 25576 10369 1 19 . 1 1 92 92 GLN CA C 92 56.135 56.135 54.986 1.149 25576 10370 1 19 . 1 1 92 92 GLN CB C 92 29.342 29.342 29.989 -0.647 25576 10371 1 19 . 1 1 92 92 GLN H H 92 8.726 8.726 8.670 0.056 25576 10372 1 19 . 1 1 93 93 GLU N N 93 125.131 125.131 124.459 0.672 25576 10373 1 19 . 1 1 93 93 GLU HA H 93 4.364 4.364 4.465 -0.101 25576 10374 1 19 . 1 1 93 93 GLU C C 93 176.244 176.244 176.903 -0.659 25576 10375 1 19 . 1 1 93 93 GLU CA C 93 56.111 56.111 55.761 0.350 25576 10376 1 19 . 1 1 93 93 GLU CB C 93 30.517 30.517 29.863 0.655 25576 10377 1 19 . 1 1 93 93 GLU H H 93 8.419 8.419 9.036 -0.617 25576 10378 1 19 . 1 1 94 94 GLN N N 94 122.912 122.912 120.589 2.323 25576 10379 1 19 . 1 1 94 94 GLN HA H 94 4.439 4.439 4.206 0.233 25576 10380 1 19 . 1 1 94 94 GLN C C 94 176.135 176.135 176.220 -0.085 25576 10381 1 19 . 1 1 94 94 GLN CA C 94 55.585 55.585 56.824 -1.239 25576 10382 1 19 . 1 1 94 94 GLN CB C 94 29.513 29.513 29.264 0.249 25576 10383 1 19 . 1 1 94 94 GLN H H 94 8.780 8.780 7.886 0.894 25576 10384 1 19 . 1 1 95 95 THR N N 95 116.094 116.094 112.013 4.081 25576 10385 1 19 . 1 1 95 95 THR HA H 95 4.294 4.294 4.526 -0.232 25576 10386 1 19 . 1 1 95 95 THR C C 95 175.136 175.136 175.037 0.099 25576 10387 1 19 . 1 1 95 95 THR CA C 95 61.971 61.971 61.257 0.714 25576 10388 1 19 . 1 1 95 95 THR CB C 95 69.829 69.829 68.881 0.948 25576 10389 1 19 . 1 1 95 95 THR H H 95 8.392 8.392 8.140 0.252 25576 10390 1 19 . 1 1 96 96 GLY N N 96 111.858 111.858 113.951 -2.093 25576 10391 1 19 . 1 1 96 96 GLY C C 96 173.704 173.704 174.981 -1.277 25576 10392 1 19 . 1 1 96 96 GLY CA C 96 45.424 45.424 44.814 0.610 25576 10393 1 19 . 1 1 96 96 GLY H H 96 8.508 8.508 8.765 -0.257 25576 10394 1 20 . 1 1 2 2 SER N N 2 116.367 116.367 116.511 -0.144 25576 10395 1 20 . 1 1 2 2 SER HA H 2 4.458 4.458 4.175 0.283 25576 10396 1 20 . 1 1 2 2 SER C C 2 174.579 174.579 173.875 0.704 25576 10397 1 20 . 1 1 2 2 SER CA C 2 58.539 58.539 59.922 -1.383 25576 10398 1 20 . 1 1 2 2 SER CB C 2 63.940 63.940 62.928 1.012 25576 10399 1 20 . 1 1 2 2 SER H H 2 8.127 8.127 8.581 -0.454 25576 10400 1 20 . 1 1 3 3 ASP N N 3 122.355 122.355 119.106 3.249 25576 10401 1 20 . 1 1 3 3 ASP HA H 3 4.566 4.566 4.694 -0.128 25576 10402 1 20 . 1 1 3 3 ASP C C 3 176.445 176.445 175.523 0.922 25576 10403 1 20 . 1 1 3 3 ASP CA C 3 54.819 54.819 54.173 0.646 25576 10404 1 20 . 1 1 3 3 ASP CB C 3 40.939 40.939 41.233 -0.294 25576 10405 1 20 . 1 1 3 3 ASP H H 3 8.360 8.360 8.129 0.231 25576 10406 1 20 . 1 1 4 4 GLN N N 4 119.955 119.955 120.105 -0.150 25576 10407 1 20 . 1 1 4 4 GLN HA H 4 4.262 4.262 4.313 -0.051 25576 10408 1 20 . 1 1 4 4 GLN C C 4 176.138 176.138 175.676 0.462 25576 10409 1 20 . 1 1 4 4 GLN CA C 4 55.933 55.933 56.383 -0.450 25576 10410 1 20 . 1 1 4 4 GLN CB C 4 29.411 29.411 28.945 0.466 25576 10411 1 20 . 1 1 4 4 GLN H H 4 8.250 8.250 7.989 0.261 25576 10412 1 20 . 1 1 5 5 GLU N N 5 121.392 121.392 122.842 -1.450 25576 10413 1 20 . 1 1 5 5 GLU HA H 5 4.203 4.203 4.620 -0.417 25576 10414 1 20 . 1 1 5 5 GLU C C 5 176.137 176.137 175.226 0.911 25576 10415 1 20 . 1 1 5 5 GLU CA C 5 56.480 56.480 55.607 0.873 25576 10416 1 20 . 1 1 5 5 GLU CB C 5 30.261 30.261 30.897 -0.636 25576 10417 1 20 . 1 1 5 5 GLU H H 5 8.292 8.292 8.366 -0.074 25576 10418 1 20 . 1 1 6 6 ALA N N 6 125.339 125.339 122.402 2.937 25576 10419 1 20 . 1 1 6 6 ALA HA H 6 4.261 4.261 4.761 -0.500 25576 10420 1 20 . 1 1 6 6 ALA C C 6 177.348 177.348 176.133 1.215 25576 10421 1 20 . 1 1 6 6 ALA CA C 6 52.319 52.319 51.720 0.599 25576 10422 1 20 . 1 1 6 6 ALA CB C 6 19.120 19.120 19.958 -0.838 25576 10423 1 20 . 1 1 6 6 ALA H H 6 8.253 8.253 8.596 -0.343 25576 10424 1 20 . 1 1 7 7 LYS N N 7 122.299 122.299 119.369 2.930 25576 10425 1 20 . 1 1 7 7 LYS HA H 7 4.573 4.573 4.587 -0.014 25576 10426 1 20 . 1 1 7 7 LYS CA C 7 54.062 54.062 54.270 -0.208 25576 10427 1 20 . 1 1 7 7 LYS CB C 7 32.588 32.588 32.559 0.029 25576 10428 1 20 . 1 1 7 7 LYS H H 7 8.302 8.302 8.105 0.197 25576 10429 1 20 . 1 1 8 8 PRO HA H 8 4.425 4.425 4.548 -0.123 25576 10430 1 20 . 1 1 8 8 PRO C C 8 177.020 177.020 176.849 0.171 25576 10431 1 20 . 1 1 8 8 PRO CA C 8 63.029 63.029 62.955 0.075 25576 10432 1 20 . 1 1 8 8 PRO CB C 8 32.158 32.158 32.551 -0.393 25576 10433 1 20 . 1 1 9 9 SER N N 9 116.888 116.888 116.461 0.427 25576 10434 1 20 . 1 1 9 9 SER HA H 9 4.479 4.479 4.545 -0.066 25576 10435 1 20 . 1 1 9 9 SER C C 9 174.261 174.261 174.184 0.077 25576 10436 1 20 . 1 1 9 9 SER CA C 9 58.299 58.299 58.499 -0.200 25576 10437 1 20 . 1 1 9 9 SER CB C 9 63.848 63.848 64.475 -0.628 25576 10438 1 20 . 1 1 9 9 SER H H 9 8.596 8.596 8.885 -0.289 25576 10439 1 20 . 1 1 10 10 THR N N 10 115.838 115.838 117.249 -1.411 25576 10440 1 20 . 1 1 10 10 THR HA H 10 4.334 4.334 4.401 -0.067 25576 10441 1 20 . 1 1 10 10 THR C C 10 176.158 176.158 172.768 3.390 25576 10442 1 20 . 1 1 10 10 THR CA C 10 61.966 61.966 62.158 -0.192 25576 10443 1 20 . 1 1 10 10 THR CB C 10 69.581 69.581 71.276 -1.695 25576 10444 1 20 . 1 1 10 10 THR H H 10 8.247 8.247 7.495 0.752 25576 10445 1 20 . 1 1 11 11 GLU N N 11 122.975 122.975 125.154 -2.179 25576 10446 1 20 . 1 1 11 11 GLU HA H 11 4.237 4.237 4.250 -0.013 25576 10447 1 20 . 1 1 11 11 GLU C C 11 175.920 175.920 175.827 0.093 25576 10448 1 20 . 1 1 11 11 GLU CA C 11 56.779 56.779 57.072 -0.293 25576 10449 1 20 . 1 1 11 11 GLU CB C 11 29.869 29.869 30.255 -0.386 25576 10450 1 20 . 1 1 11 11 GLU H H 11 8.355 8.355 8.413 -0.058 25576 10451 1 20 . 1 1 12 12 ASP N N 12 122.117 122.117 126.113 -3.996 25576 10452 1 20 . 1 1 12 12 ASP HA H 12 4.562 4.562 4.775 -0.213 25576 10453 1 20 . 1 1 12 12 ASP C C 12 176.402 176.402 175.517 0.885 25576 10454 1 20 . 1 1 12 12 ASP CA C 12 54.224 54.224 53.593 0.631 25576 10455 1 20 . 1 1 12 12 ASP CB C 12 41.161 41.161 41.641 -0.480 25576 10456 1 20 . 1 1 12 12 ASP H H 12 8.411 8.411 8.446 -0.035 25576 10457 1 20 . 1 1 13 13 LEU N N 13 123.695 123.695 122.037 1.658 25576 10458 1 20 . 1 1 13 13 LEU HA H 13 4.306 4.306 4.415 -0.109 25576 10459 1 20 . 1 1 13 13 LEU C C 13 178.231 178.231 176.887 1.344 25576 10460 1 20 . 1 1 13 13 LEU CA C 13 55.384 55.384 54.816 0.568 25576 10461 1 20 . 1 1 13 13 LEU CB C 13 42.132 42.132 42.275 -0.143 25576 10462 1 20 . 1 1 13 13 LEU H H 13 8.391 8.391 8.001 0.390 25576 10463 1 20 . 1 1 14 14 GLY N N 14 108.928 108.928 108.048 0.880 25576 10464 1 20 . 1 1 14 14 GLY C C 14 174.014 174.014 173.561 0.453 25576 10465 1 20 . 1 1 14 14 GLY CA C 14 45.600 45.600 44.988 0.612 25576 10466 1 20 . 1 1 14 14 GLY H H 14 8.456 8.456 8.260 0.196 25576 10467 1 20 . 1 1 15 15 ASP N N 15 120.427 120.427 121.264 -0.837 25576 10468 1 20 . 1 1 15 15 ASP HA H 15 4.544 4.544 4.817 -0.273 25576 10469 1 20 . 1 1 15 15 ASP C C 15 176.810 176.810 175.825 0.985 25576 10470 1 20 . 1 1 15 15 ASP CA C 15 54.389 54.389 54.423 -0.034 25576 10471 1 20 . 1 1 15 15 ASP CB C 15 41.153 41.153 41.686 -0.533 25576 10472 1 20 . 1 1 15 15 ASP H H 15 8.207 8.207 8.448 -0.241 25576 10473 1 20 . 1 1 16 16 LYS N N 16 121.257 121.257 120.058 1.199 25576 10474 1 20 . 1 1 16 16 LYS HA H 16 4.269 4.269 4.703 -0.434 25576 10475 1 20 . 1 1 16 16 LYS C C 16 176.470 176.470 175.927 0.543 25576 10476 1 20 . 1 1 16 16 LYS CA C 16 56.579 56.579 55.595 0.984 25576 10477 1 20 . 1 1 16 16 LYS CB C 16 29.470 29.470 34.533 -5.063 25576 10478 1 20 . 1 1 16 16 LYS H H 16 8.302 8.302 7.931 0.371 25576 10479 1 20 . 1 1 17 17 LYS N N 17 122.205 122.205 121.204 1.001 25576 10480 1 20 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.400 -0.133 25576 10481 1 20 . 1 1 17 17 LYS C C 17 176.837 176.837 175.467 1.370 25576 10482 1 20 . 1 1 17 17 LYS CA C 17 56.177 56.177 56.266 -0.089 25576 10483 1 20 . 1 1 17 17 LYS CB C 17 32.684 32.684 33.040 -0.356 25576 10484 1 20 . 1 1 17 17 LYS H H 17 8.383 8.383 8.457 -0.074 25576 10485 1 20 . 1 1 18 18 GLU N N 18 121.859 121.859 118.059 3.800 25576 10486 1 20 . 1 1 18 18 GLU HA H 18 4.252 4.252 4.453 -0.201 25576 10487 1 20 . 1 1 18 18 GLU C C 18 176.964 176.964 174.502 2.462 25576 10488 1 20 . 1 1 18 18 GLU CA C 18 57.094 57.094 55.983 1.111 25576 10489 1 20 . 1 1 18 18 GLU CB C 18 30.261 30.261 31.283 -1.022 25576 10490 1 20 . 1 1 18 18 GLU H H 18 8.497 8.497 8.339 0.158 25576 10491 1 20 . 1 1 19 19 GLY N N 19 109.716 109.716 106.981 2.735 25576 10492 1 20 . 1 1 19 19 GLY C C 19 173.520 173.520 173.686 -0.166 25576 10493 1 20 . 1 1 19 19 GLY CA C 19 45.386 45.386 45.633 -0.247 25576 10494 1 20 . 1 1 19 19 GLY H H 19 8.447 8.447 8.278 0.169 25576 10495 1 20 . 1 1 20 20 GLU N N 20 119.640 119.640 115.881 3.759 25576 10496 1 20 . 1 1 20 20 GLU HA H 20 4.255 4.255 4.050 0.205 25576 10497 1 20 . 1 1 20 20 GLU C C 20 175.453 175.453 175.058 0.395 25576 10498 1 20 . 1 1 20 20 GLU CA C 20 56.726 56.726 57.279 -0.553 25576 10499 1 20 . 1 1 20 20 GLU CB C 20 30.806 30.806 28.448 2.358 25576 10500 1 20 . 1 1 20 20 GLU H H 20 8.227 8.227 8.471 -0.244 25576 10501 1 20 . 1 1 21 21 TYR N N 21 119.301 119.301 114.155 5.146 25576 10502 1 20 . 1 1 21 21 TYR HA H 21 5.083 5.083 5.289 -0.206 25576 10503 1 20 . 1 1 21 21 TYR C C 21 175.805 175.805 174.914 0.891 25576 10504 1 20 . 1 1 21 21 TYR CA C 21 57.427 57.427 56.248 1.179 25576 10505 1 20 . 1 1 21 21 TYR CB C 21 41.620 41.620 40.454 1.166 25576 10506 1 20 . 1 1 21 21 TYR H H 21 8.367 8.367 7.146 1.221 25576 10507 1 20 . 1 1 22 22 ILE N N 22 116.642 116.642 115.694 0.948 25576 10508 1 20 . 1 1 22 22 ILE HA H 22 4.787 4.787 4.668 0.119 25576 10509 1 20 . 1 1 22 22 ILE C C 22 173.467 173.467 174.358 -0.891 25576 10510 1 20 . 1 1 22 22 ILE CA C 22 59.685 59.685 59.424 0.261 25576 10511 1 20 . 1 1 22 22 ILE CB C 22 42.383 42.383 41.976 0.407 25576 10512 1 20 . 1 1 22 22 ILE H H 22 9.151 9.151 9.134 0.017 25576 10513 1 20 . 1 1 23 23 LYS N N 23 124.306 124.306 119.810 4.496 25576 10514 1 20 . 1 1 23 23 LYS HA H 23 5.289 5.289 5.214 0.075 25576 10515 1 20 . 1 1 23 23 LYS C C 23 175.553 175.553 175.468 0.085 25576 10516 1 20 . 1 1 23 23 LYS CA C 23 55.629 55.629 55.320 0.309 25576 10517 1 20 . 1 1 23 23 LYS CB C 23 33.744 33.744 34.871 -1.127 25576 10518 1 20 . 1 1 23 23 LYS H H 23 8.623 8.623 8.270 0.353 25576 10519 1 20 . 1 1 24 24 LEU N N 24 124.177 124.177 121.773 2.404 25576 10520 1 20 . 1 1 24 24 LEU HA H 24 4.974 4.974 5.195 -0.221 25576 10521 1 20 . 1 1 24 24 LEU C C 24 175.910 175.910 174.507 1.403 25576 10522 1 20 . 1 1 24 24 LEU CA C 24 52.835 52.835 53.804 -0.969 25576 10523 1 20 . 1 1 24 24 LEU CB C 24 46.661 46.661 47.059 -0.398 25576 10524 1 20 . 1 1 24 24 LEU H H 24 8.940 8.940 9.050 -0.110 25576 10525 1 20 . 1 1 25 25 LYS N N 25 120.635 120.635 119.860 0.775 25576 10526 1 20 . 1 1 25 25 LYS HA H 25 4.714 4.714 4.718 -0.004 25576 10527 1 20 . 1 1 25 25 LYS C C 25 174.125 174.125 174.054 0.071 25576 10528 1 20 . 1 1 25 25 LYS CA C 25 55.122 55.122 53.753 1.369 25576 10529 1 20 . 1 1 25 25 LYS CB C 25 34.919 34.919 36.633 -1.714 25576 10530 1 20 . 1 1 25 25 LYS H H 25 8.621 8.621 8.368 0.253 25576 10531 1 20 . 1 1 26 26 VAL N N 26 124.130 124.130 124.145 -0.015 25576 10532 1 20 . 1 1 26 26 VAL HA H 26 5.043 5.043 4.630 0.413 25576 10533 1 20 . 1 1 26 26 VAL C C 26 176.195 176.195 174.321 1.874 25576 10534 1 20 . 1 1 26 26 VAL CA C 26 61.193 61.193 60.634 0.559 25576 10535 1 20 . 1 1 26 26 VAL CB C 26 32.270 32.270 35.766 -3.496 25576 10536 1 20 . 1 1 26 26 VAL H H 26 9.113 9.113 8.705 0.408 25576 10537 1 20 . 1 1 27 27 ILE N N 27 128.245 128.245 127.004 1.241 25576 10538 1 20 . 1 1 27 27 ILE HA H 27 5.012 5.012 4.538 0.474 25576 10539 1 20 . 1 1 27 27 ILE C C 27 175.976 175.976 175.463 0.513 25576 10540 1 20 . 1 1 27 27 ILE CA C 27 59.910 59.910 58.366 1.544 25576 10541 1 20 . 1 1 27 27 ILE CB C 27 39.851 39.851 36.867 2.984 25576 10542 1 20 . 1 1 27 27 ILE H H 27 9.063 9.063 8.433 0.630 25576 10543 1 20 . 1 1 28 28 GLY N N 28 113.332 113.332 113.214 0.118 25576 10544 1 20 . 1 1 28 28 GLY C C 28 175.505 175.505 175.502 0.003 25576 10545 1 20 . 1 1 28 28 GLY CA C 28 43.958 43.958 44.505 -0.547 25576 10546 1 20 . 1 1 28 28 GLY H H 28 8.485 8.485 8.542 -0.057 25576 10547 1 20 . 1 1 29 29 GLN N N 29 120.493 120.493 118.196 2.297 25576 10548 1 20 . 1 1 29 29 GLN HA H 29 4.113 4.113 4.013 0.100 25576 10549 1 20 . 1 1 29 29 GLN C C 29 176.003 176.003 176.515 -0.512 25576 10550 1 20 . 1 1 29 29 GLN CA C 29 57.808 57.808 57.506 0.302 25576 10551 1 20 . 1 1 29 29 GLN CB C 29 28.735 28.735 28.334 0.402 25576 10552 1 20 . 1 1 29 29 GLN H H 29 8.768 8.768 8.819 -0.051 25576 10553 1 20 . 1 1 30 30 ASP N N 30 118.342 118.342 117.816 0.526 25576 10554 1 20 . 1 1 30 30 ASP HA H 30 4.537 4.537 4.707 -0.170 25576 10555 1 20 . 1 1 30 30 ASP C C 30 176.461 176.461 175.343 1.118 25576 10556 1 20 . 1 1 30 30 ASP CA C 30 53.271 53.271 53.469 -0.199 25576 10557 1 20 . 1 1 30 30 ASP CB C 30 39.867 39.867 40.887 -1.020 25576 10558 1 20 . 1 1 30 30 ASP H H 30 8.335 8.335 8.006 0.329 25576 10559 1 20 . 1 1 31 31 SER N N 31 111.069 111.069 112.634 -1.565 25576 10560 1 20 . 1 1 31 31 SER HA H 31 4.044 4.044 4.051 -0.007 25576 10561 1 20 . 1 1 31 31 SER C C 31 173.554 173.554 173.350 0.204 25576 10562 1 20 . 1 1 31 31 SER CA C 31 60.529 60.529 58.913 1.617 25576 10563 1 20 . 1 1 31 31 SER CB C 31 62.268 62.268 62.142 0.126 25576 10564 1 20 . 1 1 31 31 SER H H 31 7.997 7.997 8.137 -0.140 25576 10565 1 20 . 1 1 32 32 SER N N 32 117.489 117.489 116.835 0.654 25576 10566 1 20 . 1 1 32 32 SER HA H 32 4.380 4.380 4.368 0.012 25576 10567 1 20 . 1 1 32 32 SER C C 32 173.550 173.550 174.324 -0.774 25576 10568 1 20 . 1 1 32 32 SER CA C 32 58.590 58.590 58.859 -0.269 25576 10569 1 20 . 1 1 32 32 SER CB C 32 64.008 64.008 63.334 0.674 25576 10570 1 20 . 1 1 32 32 SER H H 32 8.081 8.081 8.014 0.067 25576 10571 1 20 . 1 1 33 33 GLU N N 33 121.738 121.738 130.034 -8.296 25576 10572 1 20 . 1 1 33 33 GLU HA H 33 5.131 5.131 5.274 -0.143 25576 10573 1 20 . 1 1 33 33 GLU C C 33 175.317 175.317 175.962 -0.645 25576 10574 1 20 . 1 1 33 33 GLU CA C 33 55.212 55.212 55.530 -0.318 25576 10575 1 20 . 1 1 33 33 GLU CB C 33 32.596 32.596 30.195 2.401 25576 10576 1 20 . 1 1 33 33 GLU H H 33 8.616 8.616 8.448 0.168 25576 10577 1 20 . 1 1 34 34 ILE N N 34 124.389 124.389 124.916 -0.527 25576 10578 1 20 . 1 1 34 34 ILE HA H 34 4.359 4.359 4.461 -0.102 25576 10579 1 20 . 1 1 34 34 ILE C C 34 174.612 174.612 175.032 -0.420 25576 10580 1 20 . 1 1 34 34 ILE CA C 34 60.266 60.266 59.541 0.725 25576 10581 1 20 . 1 1 34 34 ILE CB C 34 40.906 40.906 39.669 1.237 25576 10582 1 20 . 1 1 34 34 ILE H H 34 8.670 8.670 8.264 0.406 25576 10583 1 20 . 1 1 35 35 HIS N N 35 125.683 125.683 124.801 0.882 25576 10584 1 20 . 1 1 35 35 HIS HA H 35 5.597 5.597 4.879 0.718 25576 10585 1 20 . 1 1 35 35 HIS C C 35 174.902 174.902 174.542 0.360 25576 10586 1 20 . 1 1 35 35 HIS CA C 35 54.765 54.765 53.964 0.801 25576 10587 1 20 . 1 1 35 35 HIS CB C 35 32.411 32.411 32.522 -0.111 25576 10588 1 20 . 1 1 35 35 HIS H H 35 8.699 8.699 8.679 0.020 25576 10589 1 20 . 1 1 36 36 PHE N N 36 119.920 119.920 119.862 0.058 25576 10590 1 20 . 1 1 36 36 PHE HA H 36 4.949 4.949 5.061 -0.112 25576 10591 1 20 . 1 1 36 36 PHE C C 36 174.000 174.000 173.412 0.588 25576 10592 1 20 . 1 1 36 36 PHE CA C 36 57.003 57.003 55.993 1.010 25576 10593 1 20 . 1 1 36 36 PHE CB C 36 44.431 44.431 41.317 3.114 25576 10594 1 20 . 1 1 36 36 PHE H H 36 9.103 9.103 8.181 0.922 25576 10595 1 20 . 1 1 37 37 LYS N N 37 123.747 123.747 121.707 2.040 25576 10596 1 20 . 1 1 37 37 LYS HA H 37 4.294 4.294 5.221 -0.927 25576 10597 1 20 . 1 1 37 37 LYS C C 37 176.145 176.145 175.051 1.094 25576 10598 1 20 . 1 1 37 37 LYS CA C 37 55.448 55.448 55.369 0.079 25576 10599 1 20 . 1 1 37 37 LYS CB C 37 33.467 33.467 33.806 -0.339 25576 10600 1 20 . 1 1 37 37 LYS H H 37 8.787 8.787 8.355 0.432 25576 10601 1 20 . 1 1 38 38 VAL N N 38 119.736 119.736 118.319 1.417 25576 10602 1 20 . 1 1 38 38 VAL HA H 38 4.957 4.957 4.440 0.517 25576 10603 1 20 . 1 1 38 38 VAL C C 38 174.245 174.245 174.621 -0.376 25576 10604 1 20 . 1 1 38 38 VAL CA C 38 58.935 58.935 59.290 -0.355 25576 10605 1 20 . 1 1 38 38 VAL CB C 38 35.429 35.429 35.915 -0.486 25576 10606 1 20 . 1 1 38 38 VAL H H 38 9.138 9.138 8.951 0.187 25576 10607 1 20 . 1 1 39 39 LYS N N 39 122.359 122.359 121.163 1.196 25576 10608 1 20 . 1 1 39 39 LYS HA H 39 3.837 3.837 4.452 -0.615 25576 10609 1 20 . 1 1 39 39 LYS C C 39 179.383 179.383 177.981 1.402 25576 10610 1 20 . 1 1 39 39 LYS CA C 39 56.814 56.814 56.341 0.473 25576 10611 1 20 . 1 1 39 39 LYS CB C 39 30.576 30.576 33.278 -2.702 25576 10612 1 20 . 1 1 39 39 LYS H H 39 8.611 8.611 8.536 0.075 25576 10613 1 20 . 1 1 40 40 MET N N 40 119.929 119.929 120.851 -0.922 25576 10614 1 20 . 1 1 40 40 MET HA H 40 4.103 4.103 4.282 -0.179 25576 10615 1 20 . 1 1 40 40 MET C C 40 176.546 176.546 177.035 -0.489 25576 10616 1 20 . 1 1 40 40 MET CA C 40 57.320 57.320 59.117 -1.797 25576 10617 1 20 . 1 1 40 40 MET CB C 40 30.903 30.903 32.764 -1.861 25576 10618 1 20 . 1 1 40 40 MET H H 40 8.562 8.562 9.167 -0.605 25576 10619 1 20 . 1 1 41 41 THR N N 41 100.263 100.263 109.717 -9.454 25576 10620 1 20 . 1 1 41 41 THR HA H 41 4.349 4.349 4.328 0.021 25576 10621 1 20 . 1 1 41 41 THR C C 41 174.506 174.506 174.566 -0.060 25576 10622 1 20 . 1 1 41 41 THR CA C 41 60.147 60.147 61.470 -1.323 25576 10623 1 20 . 1 1 41 41 THR CB C 41 68.836 68.836 68.053 0.783 25576 10624 1 20 . 1 1 41 41 THR H H 41 6.974 6.974 8.054 -1.080 25576 10625 1 20 . 1 1 42 42 THR N N 42 120.616 120.616 115.867 4.749 25576 10626 1 20 . 1 1 42 42 THR HA H 42 4.187 4.187 4.455 -0.268 25576 10627 1 20 . 1 1 42 42 THR C C 42 174.052 174.052 172.783 1.269 25576 10628 1 20 . 1 1 42 42 THR CA C 42 63.153 63.153 60.350 2.803 25576 10629 1 20 . 1 1 42 42 THR CB C 42 69.645 69.645 70.801 -1.156 25576 10630 1 20 . 1 1 42 42 THR H H 42 7.192 7.192 7.156 0.036 25576 10631 1 20 . 1 1 43 43 HIS N N 43 126.236 126.236 120.714 5.522 25576 10632 1 20 . 1 1 43 43 HIS HA H 43 4.411 4.411 4.531 -0.120 25576 10633 1 20 . 1 1 43 43 HIS C C 43 178.431 178.431 176.117 2.314 25576 10634 1 20 . 1 1 43 43 HIS CA C 43 57.366 57.366 55.808 1.558 25576 10635 1 20 . 1 1 43 43 HIS CB C 43 30.155 30.155 30.795 -0.640 25576 10636 1 20 . 1 1 43 43 HIS H H 43 8.807 8.807 8.474 0.333 25576 10637 1 20 . 1 1 44 44 LEU N N 44 124.757 124.757 124.343 0.414 25576 10638 1 20 . 1 1 44 44 LEU HA H 44 3.983 3.983 4.187 -0.204 25576 10639 1 20 . 1 1 44 44 LEU C C 44 177.051 177.051 177.876 -0.825 25576 10640 1 20 . 1 1 44 44 LEU CA C 44 58.790 58.790 55.218 3.571 25576 10641 1 20 . 1 1 44 44 LEU CB C 44 41.240 41.240 41.012 0.228 25576 10642 1 20 . 1 1 44 44 LEU H H 44 9.349 9.349 9.000 0.349 25576 10643 1 20 . 1 1 45 45 LYS N N 45 121.424 121.424 119.490 1.934 25576 10644 1 20 . 1 1 45 45 LYS HA H 45 3.584 3.584 3.813 -0.229 25576 10645 1 20 . 1 1 45 45 LYS C C 45 176.867 176.867 177.855 -0.988 25576 10646 1 20 . 1 1 45 45 LYS CA C 45 60.662 60.662 59.373 1.289 25576 10647 1 20 . 1 1 45 45 LYS CB C 45 33.389 33.389 31.039 2.350 25576 10648 1 20 . 1 1 45 45 LYS H H 45 8.543 8.543 7.872 0.671 25576 10649 1 20 . 1 1 46 46 LYS N N 46 114.033 114.033 118.607 -4.574 25576 10650 1 20 . 1 1 46 46 LYS HA H 46 4.087 4.087 4.002 0.085 25576 10651 1 20 . 1 1 46 46 LYS C C 46 178.977 178.977 178.409 0.568 25576 10652 1 20 . 1 1 46 46 LYS CA C 46 58.615 58.615 58.867 -0.252 25576 10653 1 20 . 1 1 46 46 LYS CB C 46 31.643 31.643 31.744 -0.101 25576 10654 1 20 . 1 1 46 46 LYS H H 46 7.517 7.517 7.436 0.081 25576 10655 1 20 . 1 1 47 47 LEU N N 47 121.871 121.871 121.265 0.606 25576 10656 1 20 . 1 1 47 47 LEU HA H 47 3.660 3.660 3.824 -0.164 25576 10657 1 20 . 1 1 47 47 LEU C C 47 177.575 177.575 177.967 -0.392 25576 10658 1 20 . 1 1 47 47 LEU CA C 47 58.514 58.514 57.498 1.016 25576 10659 1 20 . 1 1 47 47 LEU CB C 47 41.890 41.890 41.912 -0.022 25576 10660 1 20 . 1 1 47 47 LEU H H 47 6.739 6.739 7.516 -0.777 25576 10661 1 20 . 1 1 48 48 LYS N N 48 118.246 118.246 118.536 -0.290 25576 10662 1 20 . 1 1 48 48 LYS HA H 48 3.081 3.081 4.117 -1.036 25576 10663 1 20 . 1 1 48 48 LYS C C 48 178.700 178.700 178.758 -0.058 25576 10664 1 20 . 1 1 48 48 LYS CA C 48 59.712 59.712 59.569 0.143 25576 10665 1 20 . 1 1 48 48 LYS CB C 48 32.411 32.411 31.582 0.829 25576 10666 1 20 . 1 1 48 48 LYS H H 48 7.556 7.556 8.247 -0.691 25576 10667 1 20 . 1 1 49 49 GLU N N 49 118.092 118.092 118.648 -0.556 25576 10668 1 20 . 1 1 49 49 GLU HA H 49 3.973 3.973 3.980 -0.007 25576 10669 1 20 . 1 1 49 49 GLU C C 49 179.453 179.453 178.778 0.675 25576 10670 1 20 . 1 1 49 49 GLU CA C 49 59.627 59.627 58.613 1.014 25576 10671 1 20 . 1 1 49 49 GLU CB C 49 30.120 30.120 28.701 1.419 25576 10672 1 20 . 1 1 49 49 GLU H H 49 8.500 8.500 8.184 0.316 25576 10673 1 20 . 1 1 50 50 SER N N 50 115.646 115.646 116.768 -1.122 25576 10674 1 20 . 1 1 50 50 SER HA H 50 4.260 4.260 4.175 0.085 25576 10675 1 20 . 1 1 50 50 SER C C 50 177.171 177.171 176.639 0.532 25576 10676 1 20 . 1 1 50 50 SER CA C 50 61.947 61.947 61.542 0.405 25576 10677 1 20 . 1 1 50 50 SER CB C 50 63.258 63.258 63.202 0.056 25576 10678 1 20 . 1 1 50 50 SER H H 50 7.966 7.966 7.613 0.353 25576 10679 1 20 . 1 1 51 51 TYR N N 51 122.610 122.610 119.574 3.036 25576 10680 1 20 . 1 1 51 51 TYR HA H 51 4.026 4.026 4.440 -0.414 25576 10681 1 20 . 1 1 51 51 TYR C C 51 177.374 177.374 177.158 0.216 25576 10682 1 20 . 1 1 51 51 TYR CA C 51 63.608 63.608 59.688 3.920 25576 10683 1 20 . 1 1 51 51 TYR CB C 51 38.618 38.618 37.593 1.025 25576 10684 1 20 . 1 1 51 51 TYR H H 51 8.833 8.833 8.044 0.789 25576 10685 1 20 . 1 1 52 52 CYS N N 52 117.395 117.395 119.488 -2.093 25576 10686 1 20 . 1 1 52 52 CYS HA H 52 3.915 3.915 3.764 0.151 25576 10687 1 20 . 1 1 52 52 CYS C C 52 177.182 177.182 176.581 0.601 25576 10688 1 20 . 1 1 52 52 CYS CA C 52 65.108 65.108 64.484 0.624 25576 10689 1 20 . 1 1 52 52 CYS CB C 52 26.151 26.151 27.118 -0.967 25576 10690 1 20 . 1 1 52 52 CYS H H 52 8.676 8.676 7.302 1.374 25576 10691 1 20 . 1 1 53 53 GLN N N 53 119.196 119.196 118.711 0.485 25576 10692 1 20 . 1 1 53 53 GLN HA H 53 4.109 4.109 4.026 0.083 25576 10693 1 20 . 1 1 53 53 GLN C C 53 179.105 179.105 178.167 0.938 25576 10694 1 20 . 1 1 53 53 GLN CA C 53 58.973 58.973 58.208 0.765 25576 10695 1 20 . 1 1 53 53 GLN CB C 53 28.211 28.211 28.027 0.184 25576 10696 1 20 . 1 1 53 53 GLN H H 53 8.322 8.322 7.803 0.519 25576 10697 1 20 . 1 1 54 54 ARG N N 54 120.139 120.139 119.728 0.411 25576 10698 1 20 . 1 1 54 54 ARG HA H 54 4.018 4.018 4.133 -0.115 25576 10699 1 20 . 1 1 54 54 ARG C C 54 178.300 178.300 178.484 -0.184 25576 10700 1 20 . 1 1 54 54 ARG CA C 54 58.552 58.552 58.247 0.305 25576 10701 1 20 . 1 1 54 54 ARG CB C 54 29.669 29.669 29.727 -0.058 25576 10702 1 20 . 1 1 54 54 ARG H H 54 8.011 8.011 7.767 0.244 25576 10703 1 20 . 1 1 55 55 GLN N N 55 114.160 114.160 116.518 -2.358 25576 10704 1 20 . 1 1 55 55 GLN HA H 55 4.251 4.251 4.376 -0.125 25576 10705 1 20 . 1 1 55 55 GLN C C 55 176.410 176.410 176.982 -0.572 25576 10706 1 20 . 1 1 55 55 GLN CA C 55 55.119 55.119 56.706 -1.587 25576 10707 1 20 . 1 1 55 55 GLN CB C 55 29.424 29.424 29.594 -0.170 25576 10708 1 20 . 1 1 55 55 GLN H H 55 7.806 7.806 7.668 0.138 25576 10709 1 20 . 1 1 56 56 GLY N N 56 109.749 109.749 107.934 1.815 25576 10710 1 20 . 1 1 56 56 GLY C C 56 174.908 174.908 174.015 0.893 25576 10711 1 20 . 1 1 56 56 GLY CA C 56 46.658 46.658 45.276 1.382 25576 10712 1 20 . 1 1 56 56 GLY H H 56 7.932 7.932 7.719 0.213 25576 10713 1 20 . 1 1 57 57 VAL N N 57 111.990 111.990 115.442 -3.452 25576 10714 1 20 . 1 1 57 57 VAL HA H 57 4.941 4.941 4.686 0.255 25576 10715 1 20 . 1 1 57 57 VAL CA C 57 57.534 57.534 58.031 -0.497 25576 10716 1 20 . 1 1 57 57 VAL CB C 57 32.697 32.697 33.877 -1.180 25576 10717 1 20 . 1 1 57 57 VAL H H 57 7.651 7.651 7.507 0.144 25576 10718 1 20 . 1 1 58 58 PRO HA H 58 4.528 4.528 4.473 0.055 25576 10719 1 20 . 1 1 58 58 PRO C C 58 179.169 179.169 177.750 1.419 25576 10720 1 20 . 1 1 58 58 PRO CA C 58 62.211 62.211 62.543 -0.332 25576 10721 1 20 . 1 1 58 58 PRO CB C 58 32.543 32.543 32.571 -0.028 25576 10722 1 20 . 1 1 59 59 MET N N 59 124.522 124.522 118.509 6.013 25576 10723 1 20 . 1 1 59 59 MET HA H 59 4.703 4.703 4.313 0.390 25576 10724 1 20 . 1 1 59 59 MET C C 59 177.459 177.459 175.791 1.668 25576 10725 1 20 . 1 1 59 59 MET CA C 59 58.247 58.247 57.888 0.359 25576 10726 1 20 . 1 1 59 59 MET CB C 59 32.795 32.795 32.325 0.470 25576 10727 1 20 . 1 1 59 59 MET H H 59 9.002 9.002 8.668 0.334 25576 10728 1 20 . 1 1 60 60 ASN N N 60 113.185 113.185 112.956 0.229 25576 10729 1 20 . 1 1 60 60 ASN HA H 60 4.673 4.673 4.643 0.030 25576 10730 1 20 . 1 1 60 60 ASN C C 60 175.674 175.674 176.093 -0.419 25576 10731 1 20 . 1 1 60 60 ASN CA C 60 53.935 53.935 53.762 0.173 25576 10732 1 20 . 1 1 60 60 ASN CB C 60 37.217 37.217 37.538 -0.320 25576 10733 1 20 . 1 1 60 60 ASN H H 60 8.424 8.424 8.113 0.311 25576 10734 1 20 . 1 1 61 61 SER N N 61 113.092 113.092 114.719 -1.627 25576 10735 1 20 . 1 1 61 61 SER HA H 61 4.500 4.500 4.576 -0.076 25576 10736 1 20 . 1 1 61 61 SER C C 61 173.455 173.455 173.689 -0.234 25576 10737 1 20 . 1 1 61 61 SER CA C 61 59.609 59.609 60.350 -0.741 25576 10738 1 20 . 1 1 61 61 SER CB C 61 64.812 64.812 64.439 0.373 25576 10739 1 20 . 1 1 61 61 SER H H 61 7.931 7.931 7.656 0.275 25576 10740 1 20 . 1 1 62 62 LEU N N 62 120.961 120.961 117.190 3.771 25576 10741 1 20 . 1 1 62 62 LEU HA H 62 5.109 5.109 5.074 0.035 25576 10742 1 20 . 1 1 62 62 LEU C C 62 175.588 175.588 175.762 -0.174 25576 10743 1 20 . 1 1 62 62 LEU CA C 62 53.575 53.575 53.062 0.513 25576 10744 1 20 . 1 1 62 62 LEU CB C 62 46.262 46.262 44.517 1.745 25576 10745 1 20 . 1 1 62 62 LEU H H 62 7.265 7.265 7.216 0.049 25576 10746 1 20 . 1 1 63 63 ARG N N 63 120.142 120.142 119.732 0.410 25576 10747 1 20 . 1 1 63 63 ARG HA H 63 4.668 4.668 4.366 0.302 25576 10748 1 20 . 1 1 63 63 ARG C C 63 172.784 172.784 175.036 -2.252 25576 10749 1 20 . 1 1 63 63 ARG CA C 63 54.488 54.488 54.575 -0.087 25576 10750 1 20 . 1 1 63 63 ARG CB C 63 33.111 33.111 32.232 0.879 25576 10751 1 20 . 1 1 63 63 ARG H H 63 8.993 8.993 8.857 0.136 25576 10752 1 20 . 1 1 64 64 PHE N N 64 122.537 122.537 122.967 -0.430 25576 10753 1 20 . 1 1 64 64 PHE HA H 64 4.959 4.959 5.536 -0.577 25576 10754 1 20 . 1 1 64 64 PHE C C 64 174.150 174.150 174.516 -0.366 25576 10755 1 20 . 1 1 64 64 PHE CA C 64 56.347 56.347 54.846 1.500 25576 10756 1 20 . 1 1 64 64 PHE CB C 64 40.762 40.762 39.393 1.369 25576 10757 1 20 . 1 1 64 64 PHE H H 64 8.923 8.923 8.061 0.862 25576 10758 1 20 . 1 1 65 65 LEU N N 65 124.212 124.212 119.979 4.233 25576 10759 1 20 . 1 1 65 65 LEU HA H 65 5.290 5.290 5.676 -0.386 25576 10760 1 20 . 1 1 65 65 LEU C C 65 175.903 175.903 174.393 1.510 25576 10761 1 20 . 1 1 65 65 LEU CA C 65 53.729 53.729 53.568 0.161 25576 10762 1 20 . 1 1 65 65 LEU CB C 65 46.385 46.385 46.254 0.131 25576 10763 1 20 . 1 1 65 65 LEU H H 65 9.738 9.738 9.211 0.527 25576 10764 1 20 . 1 1 66 66 PHE N N 66 119.384 119.384 120.524 -1.140 25576 10765 1 20 . 1 1 66 66 PHE HA H 66 5.202 5.202 4.988 0.214 25576 10766 1 20 . 1 1 66 66 PHE C C 66 175.017 175.017 174.809 0.208 25576 10767 1 20 . 1 1 66 66 PHE CA C 66 56.291 56.291 57.838 -1.547 25576 10768 1 20 . 1 1 66 66 PHE CB C 66 41.700 41.700 42.741 -1.041 25576 10769 1 20 . 1 1 66 66 PHE H H 66 8.968 8.968 9.159 -0.191 25576 10770 1 20 . 1 1 67 67 GLU N N 67 129.196 129.196 124.777 4.419 25576 10771 1 20 . 1 1 67 67 GLU HA H 67 3.540 3.540 3.588 -0.048 25576 10772 1 20 . 1 1 67 67 GLU C C 67 176.778 176.778 176.086 0.692 25576 10773 1 20 . 1 1 67 67 GLU CA C 67 56.769 56.769 56.767 0.002 25576 10774 1 20 . 1 1 67 67 GLU CB C 67 26.897 26.897 27.356 -0.459 25576 10775 1 20 . 1 1 67 67 GLU H H 67 9.381 9.381 8.704 0.677 25576 10776 1 20 . 1 1 68 68 GLY N N 68 103.263 103.263 104.893 -1.630 25576 10777 1 20 . 1 1 68 68 GLY C C 68 173.651 173.651 173.210 0.441 25576 10778 1 20 . 1 1 68 68 GLY CA C 68 45.476 45.476 44.841 0.635 25576 10779 1 20 . 1 1 68 68 GLY H H 68 8.858 8.858 8.229 0.629 25576 10780 1 20 . 1 1 69 69 GLN N N 69 120.732 120.732 119.023 1.709 25576 10781 1 20 . 1 1 69 69 GLN HA H 69 4.589 4.589 4.717 -0.128 25576 10782 1 20 . 1 1 69 69 GLN C C 69 175.204 175.204 174.483 0.721 25576 10783 1 20 . 1 1 69 69 GLN CA C 69 53.776 53.776 54.128 -0.352 25576 10784 1 20 . 1 1 69 69 GLN CB C 69 30.660 30.660 31.881 -1.220 25576 10785 1 20 . 1 1 69 69 GLN H H 69 7.996 7.996 8.103 -0.107 25576 10786 1 20 . 1 1 70 70 ARG N N 70 125.102 125.102 123.585 1.517 25576 10787 1 20 . 1 1 70 70 ARG HA H 70 4.395 4.395 4.769 -0.374 25576 10788 1 20 . 1 1 70 70 ARG C C 70 177.004 177.004 176.105 0.899 25576 10789 1 20 . 1 1 70 70 ARG CA C 70 57.305 57.305 56.191 1.114 25576 10790 1 20 . 1 1 70 70 ARG CB C 70 30.511 30.511 31.192 -0.681 25576 10791 1 20 . 1 1 70 70 ARG H H 70 8.823 8.823 8.788 0.035 25576 10792 1 20 . 1 1 71 71 ILE N N 71 126.949 126.949 122.796 4.153 25576 10793 1 20 . 1 1 71 71 ILE HA H 71 4.477 4.477 4.496 -0.019 25576 10794 1 20 . 1 1 71 71 ILE C C 71 176.145 176.145 175.413 0.732 25576 10795 1 20 . 1 1 71 71 ILE CA C 71 61.337 61.337 59.169 2.168 25576 10796 1 20 . 1 1 71 71 ILE CB C 71 39.067 39.067 36.578 2.489 25576 10797 1 20 . 1 1 71 71 ILE H H 71 9.020 9.020 8.748 0.272 25576 10798 1 20 . 1 1 72 72 ALA N N 72 139.307 139.307 130.226 9.081 25576 10799 1 20 . 1 1 72 72 ALA HA H 72 4.334 4.334 4.514 -0.180 25576 10800 1 20 . 1 1 72 72 ALA C C 72 177.973 177.973 178.172 -0.199 25576 10801 1 20 . 1 1 72 72 ALA CA C 72 50.785 50.785 50.163 0.622 25576 10802 1 20 . 1 1 72 72 ALA CB C 72 18.407 18.407 21.206 -2.799 25576 10803 1 20 . 1 1 72 72 ALA H H 72 10.910 10.910 7.985 2.925 25576 10804 1 20 . 1 1 73 73 ASP N N 73 120.493 120.493 118.707 1.786 25576 10805 1 20 . 1 1 73 73 ASP HA H 73 3.823 3.823 4.202 -0.379 25576 10806 1 20 . 1 1 73 73 ASP C C 73 176.104 176.104 176.128 -0.024 25576 10807 1 20 . 1 1 73 73 ASP CA C 73 57.113 57.113 56.574 0.539 25576 10808 1 20 . 1 1 73 73 ASP CB C 73 40.032 40.032 40.527 -0.495 25576 10809 1 20 . 1 1 73 73 ASP H H 73 8.770 8.770 8.622 0.148 25576 10810 1 20 . 1 1 74 74 ASN N N 74 109.526 109.526 115.607 -6.081 25576 10811 1 20 . 1 1 74 74 ASN HA H 74 4.245 4.245 4.160 0.085 25576 10812 1 20 . 1 1 74 74 ASN C C 74 176.050 176.050 174.853 1.197 25576 10813 1 20 . 1 1 74 74 ASN CA C 74 52.073 52.073 52.692 -0.619 25576 10814 1 20 . 1 1 74 74 ASN CB C 74 37.343 37.343 38.549 -1.206 25576 10815 1 20 . 1 1 74 74 ASN H H 74 7.738 7.738 8.079 -0.341 25576 10816 1 20 . 1 1 75 75 HIS N N 75 119.821 119.821 119.791 0.030 25576 10817 1 20 . 1 1 75 75 HIS HA H 75 4.908 4.908 4.613 0.295 25576 10818 1 20 . 1 1 75 75 HIS C C 75 175.680 175.680 174.099 1.581 25576 10819 1 20 . 1 1 75 75 HIS CA C 75 56.606 56.606 56.354 0.252 25576 10820 1 20 . 1 1 75 75 HIS CB C 75 33.549 33.549 31.360 2.189 25576 10821 1 20 . 1 1 75 75 HIS H H 75 7.149 7.149 7.614 -0.465 25576 10822 1 20 . 1 1 76 76 THR N N 76 108.304 108.304 113.834 -5.530 25576 10823 1 20 . 1 1 76 76 THR HA H 76 5.197 5.197 5.094 0.103 25576 10824 1 20 . 1 1 76 76 THR CA C 76 57.594 57.594 58.257 -0.663 25576 10825 1 20 . 1 1 76 76 THR CB C 76 70.033 70.033 70.755 -0.722 25576 10826 1 20 . 1 1 76 76 THR H H 76 7.303 7.303 8.311 -1.008 25576 10827 1 20 . 1 1 77 77 PRO HA H 77 4.241 4.241 4.207 0.034 25576 10828 1 20 . 1 1 77 77 PRO C C 77 178.445 178.445 177.880 0.565 25576 10829 1 20 . 1 1 77 77 PRO CA C 77 65.724 65.724 65.039 0.685 25576 10830 1 20 . 1 1 77 77 PRO CB C 77 32.479 32.479 31.959 0.520 25576 10831 1 20 . 1 1 78 78 LYS N N 78 115.329 115.329 116.180 -0.851 25576 10832 1 20 . 1 1 78 78 LYS HA H 78 3.956 3.956 4.069 -0.113 25576 10833 1 20 . 1 1 78 78 LYS C C 78 179.328 179.328 178.819 0.509 25576 10834 1 20 . 1 1 78 78 LYS CA C 78 59.012 59.012 59.157 -0.145 25576 10835 1 20 . 1 1 78 78 LYS CB C 78 32.845 32.845 31.584 1.261 25576 10836 1 20 . 1 1 78 78 LYS H H 78 8.073 8.073 7.643 0.430 25576 10837 1 20 . 1 1 79 79 GLU N N 79 120.840 120.840 119.444 1.396 25576 10838 1 20 . 1 1 79 79 GLU HA H 79 3.957 3.957 4.156 -0.199 25576 10839 1 20 . 1 1 79 79 GLU C C 79 178.566 178.566 178.421 0.145 25576 10840 1 20 . 1 1 79 79 GLU CA C 79 58.790 58.790 58.185 0.605 25576 10841 1 20 . 1 1 79 79 GLU CB C 79 30.290 30.290 29.373 0.917 25576 10842 1 20 . 1 1 79 79 GLU H H 79 7.978 7.978 7.598 0.380 25576 10843 1 20 . 1 1 80 80 LEU N N 80 115.072 115.072 118.007 -2.935 25576 10844 1 20 . 1 1 80 80 LEU HA H 80 4.222 4.222 4.315 -0.093 25576 10845 1 20 . 1 1 80 80 LEU C C 80 176.602 176.602 177.511 -0.909 25576 10846 1 20 . 1 1 80 80 LEU CA C 80 54.613 54.613 55.172 -0.559 25576 10847 1 20 . 1 1 80 80 LEU CB C 80 42.453 42.453 42.130 0.323 25576 10848 1 20 . 1 1 80 80 LEU H H 80 7.486 7.486 8.078 -0.592 25576 10849 1 20 . 1 1 81 81 GLY N N 81 108.019 108.019 106.963 1.056 25576 10850 1 20 . 1 1 81 81 GLY C C 81 175.390 175.390 174.138 1.252 25576 10851 1 20 . 1 1 81 81 GLY CA C 81 46.622 46.622 45.212 1.410 25576 10852 1 20 . 1 1 81 81 GLY H H 81 7.644 7.644 7.347 0.297 25576 10853 1 20 . 1 1 82 82 MET N N 82 117.606 117.606 118.606 -1.000 25576 10854 1 20 . 1 1 82 82 MET HA H 82 4.185 4.185 4.992 -0.807 25576 10855 1 20 . 1 1 82 82 MET C C 82 174.482 174.482 175.144 -0.662 25576 10856 1 20 . 1 1 82 82 MET CA C 82 57.019 57.019 55.101 1.918 25576 10857 1 20 . 1 1 82 82 MET CB C 82 34.089 34.089 35.668 -1.579 25576 10858 1 20 . 1 1 82 82 MET H H 82 7.628 7.628 8.160 -0.532 25576 10859 1 20 . 1 1 83 83 GLU N N 83 120.980 120.980 117.996 2.984 25576 10860 1 20 . 1 1 83 83 GLU HA H 83 4.457 4.457 4.807 -0.350 25576 10861 1 20 . 1 1 83 83 GLU C C 83 174.297 174.297 175.495 -1.198 25576 10862 1 20 . 1 1 83 83 GLU CA C 83 53.875 53.875 54.103 -0.228 25576 10863 1 20 . 1 1 83 83 GLU CB C 83 33.937 33.937 32.535 1.402 25576 10864 1 20 . 1 1 83 83 GLU H H 83 9.314 9.314 8.779 0.535 25576 10865 1 20 . 1 1 84 84 GLU N N 84 119.063 119.063 120.692 -1.629 25576 10866 1 20 . 1 1 84 84 GLU HA H 84 4.199 4.199 4.052 0.147 25576 10867 1 20 . 1 1 84 84 GLU C C 84 177.527 177.527 176.656 0.871 25576 10868 1 20 . 1 1 84 84 GLU CA C 84 58.549 58.549 56.693 1.856 25576 10869 1 20 . 1 1 84 84 GLU CB C 84 29.993 29.993 29.527 0.466 25576 10870 1 20 . 1 1 84 84 GLU H H 84 8.341 8.341 8.476 -0.135 25576 10871 1 20 . 1 1 85 85 GLU N N 85 118.840 118.840 120.021 -1.181 25576 10872 1 20 . 1 1 85 85 GLU HA H 85 3.645 3.645 3.864 -0.219 25576 10873 1 20 . 1 1 85 85 GLU C C 85 175.047 175.047 175.414 -0.367 25576 10874 1 20 . 1 1 85 85 GLU CA C 85 58.846 58.846 57.847 0.999 25576 10875 1 20 . 1 1 85 85 GLU CB C 85 26.691 26.691 29.322 -2.631 25576 10876 1 20 . 1 1 85 85 GLU H H 85 9.357 9.357 9.083 0.274 25576 10877 1 20 . 1 1 86 86 ASP N N 86 120.217 120.217 119.706 0.511 25576 10878 1 20 . 1 1 86 86 ASP HA H 86 4.880 4.880 4.575 0.305 25576 10879 1 20 . 1 1 86 86 ASP C C 86 174.417 174.417 174.360 0.057 25576 10880 1 20 . 1 1 86 86 ASP CA C 86 55.822 55.822 55.566 0.256 25576 10881 1 20 . 1 1 86 86 ASP CB C 86 41.926 41.926 42.154 -0.228 25576 10882 1 20 . 1 1 86 86 ASP H H 86 8.155 8.155 7.637 0.518 25576 10883 1 20 . 1 1 87 87 VAL N N 87 116.641 116.641 119.997 -3.356 25576 10884 1 20 . 1 1 87 87 VAL HA H 87 4.924 4.924 5.086 -0.162 25576 10885 1 20 . 1 1 87 87 VAL C C 87 176.064 176.064 174.674 1.390 25576 10886 1 20 . 1 1 87 87 VAL CA C 87 61.311 61.311 60.068 1.243 25576 10887 1 20 . 1 1 87 87 VAL CB C 87 35.067 35.067 35.121 -0.054 25576 10888 1 20 . 1 1 87 87 VAL H H 87 8.191 8.191 8.218 -0.027 25576 10889 1 20 . 1 1 88 88 ILE N N 88 127.353 127.353 125.479 1.874 25576 10890 1 20 . 1 1 88 88 ILE HA H 88 4.845 4.845 4.612 0.233 25576 10891 1 20 . 1 1 88 88 ILE C C 88 174.967 174.967 173.905 1.062 25576 10892 1 20 . 1 1 88 88 ILE CA C 88 59.381 59.381 59.845 -0.464 25576 10893 1 20 . 1 1 88 88 ILE CB C 88 40.984 40.984 41.039 -0.055 25576 10894 1 20 . 1 1 88 88 ILE H H 88 9.165 9.165 9.004 0.161 25576 10895 1 20 . 1 1 89 89 GLU N N 89 125.851 125.851 123.912 1.939 25576 10896 1 20 . 1 1 89 89 GLU HA H 89 4.820 4.820 4.697 0.123 25576 10897 1 20 . 1 1 89 89 GLU C C 89 175.262 175.262 174.927 0.335 25576 10898 1 20 . 1 1 89 89 GLU CA C 89 55.158 55.158 54.877 0.281 25576 10899 1 20 . 1 1 89 89 GLU CB C 89 33.359 33.359 32.281 1.078 25576 10900 1 20 . 1 1 89 89 GLU H H 89 8.858 8.858 8.665 0.193 25576 10901 1 20 . 1 1 90 90 VAL N N 90 119.735 119.735 125.745 -6.010 25576 10902 1 20 . 1 1 90 90 VAL HA H 90 4.817 4.817 5.418 -0.601 25576 10903 1 20 . 1 1 90 90 VAL C C 90 174.870 174.870 174.624 0.246 25576 10904 1 20 . 1 1 90 90 VAL CA C 90 59.412 59.412 60.762 -1.350 25576 10905 1 20 . 1 1 90 90 VAL CB C 90 34.031 34.031 34.492 -0.461 25576 10906 1 20 . 1 1 90 90 VAL H H 90 7.770 7.770 8.053 -0.283 25576 10907 1 20 . 1 1 91 91 TYR N N 91 124.243 124.243 124.689 -0.446 25576 10908 1 20 . 1 1 91 91 TYR HA H 91 4.621 4.621 4.747 -0.126 25576 10909 1 20 . 1 1 91 91 TYR C C 91 174.588 174.588 174.558 0.030 25576 10910 1 20 . 1 1 91 91 TYR CA C 91 56.018 56.018 57.006 -0.988 25576 10911 1 20 . 1 1 91 91 TYR CB C 91 42.641 42.641 42.170 0.471 25576 10912 1 20 . 1 1 91 91 TYR H H 91 8.540 8.540 9.263 -0.723 25576 10913 1 20 . 1 1 92 92 GLN N N 92 120.784 120.784 119.526 1.258 25576 10914 1 20 . 1 1 92 92 GLN HA H 92 4.529 4.529 4.746 -0.217 25576 10915 1 20 . 1 1 92 92 GLN C C 92 176.679 176.679 175.818 0.861 25576 10916 1 20 . 1 1 92 92 GLN CA C 92 56.135 56.135 55.285 0.850 25576 10917 1 20 . 1 1 92 92 GLN CB C 92 29.342 29.342 30.476 -1.134 25576 10918 1 20 . 1 1 92 92 GLN H H 92 8.726 8.726 8.766 -0.040 25576 10919 1 20 . 1 1 93 93 GLU N N 93 125.131 125.131 123.384 1.747 25576 10920 1 20 . 1 1 93 93 GLU HA H 93 4.364 4.364 4.555 -0.191 25576 10921 1 20 . 1 1 93 93 GLU C C 93 176.244 176.244 176.677 -0.433 25576 10922 1 20 . 1 1 93 93 GLU CA C 93 56.111 56.111 55.726 0.385 25576 10923 1 20 . 1 1 93 93 GLU CB C 93 30.517 30.517 30.331 0.186 25576 10924 1 20 . 1 1 93 93 GLU H H 93 8.419 8.419 9.065 -0.646 25576 10925 1 20 . 1 1 94 94 GLN N N 94 122.912 122.912 119.833 3.079 25576 10926 1 20 . 1 1 94 94 GLN HA H 94 4.439 4.439 4.279 0.160 25576 10927 1 20 . 1 1 94 94 GLN C C 94 176.135 176.135 176.157 -0.022 25576 10928 1 20 . 1 1 94 94 GLN CA C 94 55.585 55.585 56.349 -0.764 25576 10929 1 20 . 1 1 94 94 GLN CB C 94 29.513 29.513 29.350 0.163 25576 10930 1 20 . 1 1 94 94 GLN H H 94 8.780 8.780 7.694 1.086 25576 10931 1 20 . 1 1 95 95 THR N N 95 116.094 116.094 113.410 2.684 25576 10932 1 20 . 1 1 95 95 THR HA H 95 4.294 4.294 4.392 -0.098 25576 10933 1 20 . 1 1 95 95 THR C C 95 175.136 175.136 175.578 -0.442 25576 10934 1 20 . 1 1 95 95 THR CA C 95 61.971 61.971 61.645 0.327 25576 10935 1 20 . 1 1 95 95 THR CB C 95 69.829 69.829 69.018 0.811 25576 10936 1 20 . 1 1 95 95 THR H H 95 8.392 8.392 8.307 0.085 25576 10937 1 20 . 1 1 96 96 GLY N N 96 111.858 111.858 115.674 -3.816 25576 10938 1 20 . 1 1 96 96 GLY C C 96 173.704 173.704 173.857 -0.153 25576 10939 1 20 . 1 1 96 96 GLY CA C 96 45.424 45.424 44.709 0.715 25576 10940 1 20 . 1 1 96 96 GLY H H 96 8.508 8.508 8.913 -0.405 25576 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 92 3.081 -0.539 3.050 25576 2 1 1 "Average Difference" HA 102 0.309 0.080 0.300 25576 3 1 1 "Average Difference" C 92 0.927 -0.395 0.844 25576 4 1 1 "Average Difference" CA 95 1.106 -0.419 1.029 25576 5 1 1 "Average Difference" CB 88 1.327 0.003 1.335 25576 6 1 1 "Average Difference" HN 92 0.564 -0.164 0.542 25576 7 1 2 "Average Difference" N 92 3.044 -0.641 2.992 25576 8 1 2 "Average Difference" HA 102 0.307 0.061 0.303 25576 9 1 2 "Average Difference" C 92 0.938 -0.296 0.895 25576 10 1 2 "Average Difference" CA 95 1.094 -0.296 1.059 25576 11 1 2 "Average Difference" CB 88 1.310 0.026 1.317 25576 12 1 2 "Average Difference" HN 92 0.548 -0.171 0.523 25576 13 1 3 "Average Difference" N 92 2.926 -0.240 2.932 25576 14 1 3 "Average Difference" HA 102 0.306 0.077 0.298 25576 15 1 3 "Average Difference" C 92 0.964 -0.349 0.903 25576 16 1 3 "Average Difference" CA 95 1.000 -0.400 0.922 25576 17 1 3 "Average Difference" CB 88 1.405 -0.018 1.413 25576 18 1 3 "Average Difference" HN 92 0.522 -0.139 0.506 25576 19 1 4 "Average Difference" N 92 2.919 -0.549 2.883 25576 20 1 4 "Average Difference" HA 102 0.303 0.071 0.296 25576 21 1 4 "Average Difference" C 92 0.973 -0.370 0.904 25576 22 1 4 "Average Difference" CA 95 1.031 -0.365 0.969 25576 23 1 4 "Average Difference" CB 88 1.262 0.031 1.269 25576 24 1 4 "Average Difference" HN 92 0.567 -0.155 0.548 25576 25 1 5 "Average Difference" N 92 3.149 -0.588 3.111 25576 26 1 5 "Average Difference" HA 102 0.302 0.061 0.297 25576 27 1 5 "Average Difference" C 92 0.957 -0.374 0.886 25576 28 1 5 "Average Difference" CA 95 1.093 -0.325 1.049 25576 29 1 5 "Average Difference" CB 88 1.339 0.032 1.346 25576 30 1 5 "Average Difference" HN 92 0.561 -0.174 0.536 25576 31 1 6 "Average Difference" N 92 2.897 -0.213 2.905 25576 32 1 6 "Average Difference" HA 102 0.299 0.065 0.293 25576 33 1 6 "Average Difference" C 92 0.957 -0.400 0.874 25576 34 1 6 "Average Difference" CA 95 0.994 -0.348 0.936 25576 35 1 6 "Average Difference" CB 88 1.306 -0.016 1.314 25576 36 1 6 "Average Difference" HN 92 0.538 -0.139 0.522 25576 37 1 7 "Average Difference" N 92 2.969 -0.384 2.961 25576 38 1 7 "Average Difference" HA 102 0.301 0.066 0.295 25576 39 1 7 "Average Difference" C 92 0.885 -0.293 0.840 25576 40 1 7 "Average Difference" CA 95 1.027 -0.348 0.972 25576 41 1 7 "Average Difference" CB 88 1.265 -0.004 1.273 25576 42 1 7 "Average Difference" HN 92 0.552 -0.140 0.536 25576 43 1 8 "Average Difference" N 92 2.837 -0.519 2.805 25576 44 1 8 "Average Difference" HA 102 0.304 0.074 0.296 25576 45 1 8 "Average Difference" C 92 1.019 -0.419 0.933 25576 46 1 8 "Average Difference" CA 95 1.076 -0.345 1.024 25576 47 1 8 "Average Difference" CB 88 1.312 0.053 1.318 25576 48 1 8 "Average Difference" HN 92 0.568 -0.163 0.547 25576 49 1 9 "Average Difference" N 92 2.931 -0.182 2.941 25576 50 1 9 "Average Difference" HA 102 0.289 0.040 0.288 25576 51 1 9 "Average Difference" C 92 0.930 -0.321 0.877 25576 52 1 9 "Average Difference" CA 95 1.028 -0.346 0.973 25576 53 1 9 "Average Difference" CB 88 1.312 -0.058 1.319 25576 54 1 9 "Average Difference" HN 92 0.538 -0.164 0.516 25576 55 1 10 "Average Difference" N 92 3.028 -0.602 2.984 25576 56 1 10 "Average Difference" HA 102 0.310 0.065 0.305 25576 57 1 10 "Average Difference" C 92 0.923 -0.352 0.858 25576 58 1 10 "Average Difference" CA 95 1.011 -0.389 0.938 25576 59 1 10 "Average Difference" CB 88 1.315 0.084 1.320 25576 60 1 10 "Average Difference" HN 92 0.554 -0.139 0.539 25576 61 1 11 "Average Difference" N 92 2.976 -0.473 2.954 25576 62 1 11 "Average Difference" HA 102 0.321 0.092 0.309 25576 63 1 11 "Average Difference" C 92 1.013 -0.462 0.906 25576 64 1 11 "Average Difference" CA 95 1.074 -0.399 1.003 25576 65 1 11 "Average Difference" CB 88 1.425 0.128 1.428 25576 66 1 11 "Average Difference" HN 92 0.572 -0.136 0.558 25576 67 1 12 "Average Difference" N 92 3.091 -0.286 3.095 25576 68 1 12 "Average Difference" HA 102 0.301 0.052 0.297 25576 69 1 12 "Average Difference" C 92 0.933 -0.358 0.866 25576 70 1 12 "Average Difference" CA 95 1.077 -0.390 1.010 25576 71 1 12 "Average Difference" CB 88 1.253 0.043 1.260 25576 72 1 12 "Average Difference" HN 92 0.535 -0.136 0.520 25576 73 1 13 "Average Difference" N 92 3.208 -0.530 3.181 25576 74 1 13 "Average Difference" HA 102 0.294 0.041 0.293 25576 75 1 13 "Average Difference" C 92 0.961 -0.341 0.903 25576 76 1 13 "Average Difference" CA 95 1.071 -0.330 1.025 25576 77 1 13 "Average Difference" CB 88 1.284 0.094 1.288 25576 78 1 13 "Average Difference" HN 92 0.579 -0.138 0.565 25576 79 1 14 "Average Difference" N 92 3.035 -0.665 2.977 25576 80 1 14 "Average Difference" HA 102 0.313 0.092 0.301 25576 81 1 14 "Average Difference" C 92 1.041 -0.440 0.949 25576 82 1 14 "Average Difference" CA 95 1.048 -0.401 0.973 25576 83 1 14 "Average Difference" CB 88 1.360 0.078 1.365 25576 84 1 14 "Average Difference" HN 92 0.547 -0.159 0.527 25576 85 1 15 "Average Difference" N 92 3.177 -0.638 3.130 25576 86 1 15 "Average Difference" HA 102 0.313 0.089 0.302 25576 87 1 15 "Average Difference" C 92 0.941 -0.343 0.881 25576 88 1 15 "Average Difference" CA 95 1.092 -0.426 1.011 25576 89 1 15 "Average Difference" CB 88 1.343 0.032 1.350 25576 90 1 15 "Average Difference" HN 92 0.584 -0.160 0.565 25576 91 1 16 "Average Difference" N 92 3.067 -0.626 3.019 25576 92 1 16 "Average Difference" HA 102 0.309 0.064 0.304 25576 93 1 16 "Average Difference" C 92 0.958 -0.399 0.876 25576 94 1 16 "Average Difference" CA 95 1.059 -0.376 0.995 25576 95 1 16 "Average Difference" CB 88 1.307 0.078 1.312 25576 96 1 16 "Average Difference" HN 92 0.559 -0.180 0.532 25576 97 1 17 "Average Difference" N 92 2.955 -0.428 2.940 25576 98 1 17 "Average Difference" HA 102 0.313 0.082 0.304 25576 99 1 17 "Average Difference" C 92 0.944 -0.410 0.855 25576 100 1 17 "Average Difference" CA 95 1.050 -0.392 0.980 25576 101 1 17 "Average Difference" CB 88 1.292 0.057 1.298 25576 102 1 17 "Average Difference" HN 92 0.551 -0.150 0.533 25576 103 1 18 "Average Difference" N 92 3.071 -0.438 3.057 25576 104 1 18 "Average Difference" HA 102 0.298 0.081 0.288 25576 105 1 18 "Average Difference" C 92 0.940 -0.386 0.862 25576 106 1 18 "Average Difference" CA 95 1.082 -0.446 0.991 25576 107 1 18 "Average Difference" CB 88 1.299 -0.007 1.307 25576 108 1 18 "Average Difference" HN 92 0.577 -0.159 0.558 25576 109 1 19 "Average Difference" N 92 2.695 -0.365 2.685 25576 110 1 19 "Average Difference" HA 102 0.302 0.090 0.290 25576 111 1 19 "Average Difference" C 92 1.010 -0.392 0.936 25576 112 1 19 "Average Difference" CA 95 1.046 -0.457 0.945 25576 113 1 19 "Average Difference" CB 88 1.279 0.038 1.286 25576 114 1 19 "Average Difference" HN 92 0.555 -0.187 0.525 25576 115 1 20 "Average Difference" N 92 3.003 -0.441 2.987 25576 116 1 20 "Average Difference" HA 102 0.295 0.075 0.287 25576 117 1 20 "Average Difference" C 92 0.951 -0.404 0.866 25576 118 1 20 "Average Difference" CA 95 1.053 -0.359 0.995 25576 119 1 20 "Average Difference" CB 88 1.341 0.053 1.348 25576 120 1 20 "Average Difference" HN 92 0.553 -0.153 0.534 25576 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 25576 _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 SER N N 2 116.367 116.367 116.364 0.003 25576 2 1 . 1 1 2 2 SER HA H 2 4.458 4.458 4.519 -0.061 25576 3 1 . 1 1 2 2 SER C C 2 174.579 174.579 174.476 0.103 25576 4 1 . 1 1 2 2 SER CA C 2 58.539 58.539 59.098 -0.559 25576 5 1 . 1 1 2 2 SER CB C 2 63.940 63.940 63.635 0.305 25576 6 1 . 1 1 2 2 SER H H 2 8.127 8.127 8.235 -0.108 25576 7 1 . 1 1 3 3 ASP N N 3 122.355 122.355 119.765 2.590 25576 8 1 . 1 1 3 3 ASP HA H 3 4.566 4.566 4.643 -0.077 25576 9 1 . 1 1 3 3 ASP C C 3 176.445 176.445 175.712 0.733 25576 10 1 . 1 1 3 3 ASP CA C 3 54.819 54.819 54.435 0.384 25576 11 1 . 1 1 3 3 ASP CB C 3 40.939 40.939 40.597 0.342 25576 12 1 . 1 1 3 3 ASP H H 3 8.360 8.360 8.333 0.027 25576 13 1 . 1 1 4 4 GLN N N 4 119.955 119.955 118.654 1.301 25576 14 1 . 1 1 4 4 GLN HA H 4 4.262 4.262 4.336 -0.074 25576 15 1 . 1 1 4 4 GLN C C 4 176.138 176.138 175.387 0.751 25576 16 1 . 1 1 4 4 GLN CA C 4 55.933 55.933 56.026 -0.093 25576 17 1 . 1 1 4 4 GLN CB C 4 29.411 29.411 29.314 0.097 25576 18 1 . 1 1 4 4 GLN H H 4 8.250 8.250 8.080 0.170 25576 19 1 . 1 1 5 5 GLU N N 5 121.392 121.392 120.173 1.219 25576 20 1 . 1 1 5 5 GLU HA H 5 4.203 4.203 4.462 -0.259 25576 21 1 . 1 1 5 5 GLU C C 5 176.137 176.137 175.121 1.016 25576 22 1 . 1 1 5 5 GLU CA C 5 56.480 56.480 55.651 0.829 25576 23 1 . 1 1 5 5 GLU CB C 5 30.261 30.261 30.912 -0.651 25576 24 1 . 1 1 5 5 GLU H H 5 8.292 8.292 8.195 0.097 25576 25 1 . 1 1 6 6 ALA N N 6 125.339 125.339 123.717 1.622 25576 26 1 . 1 1 6 6 ALA HA H 6 4.261 4.261 4.586 -0.325 25576 27 1 . 1 1 6 6 ALA C C 6 177.348 177.348 176.344 1.004 25576 28 1 . 1 1 6 6 ALA CA C 6 52.319 52.319 51.720 0.599 25576 29 1 . 1 1 6 6 ALA CB C 6 19.120 19.120 20.112 -0.992 25576 30 1 . 1 1 6 6 ALA H H 6 8.253 8.253 8.318 -0.065 25576 31 1 . 1 1 7 7 LYS N N 7 122.299 122.299 122.170 0.129 25576 32 1 . 1 1 7 7 LYS HA H 7 4.573 4.573 4.737 -0.164 25576 33 1 . 1 1 7 7 LYS CA C 7 54.062 54.062 53.912 0.150 25576 34 1 . 1 1 7 7 LYS CB C 7 32.588 32.588 32.799 -0.211 25576 35 1 . 1 1 7 7 LYS H H 7 8.302 8.302 8.352 -0.050 25576 36 1 . 1 1 8 8 PRO HA H 8 4.425 4.425 4.493 -0.068 25576 37 1 . 1 1 8 8 PRO C C 8 177.020 177.020 176.507 0.513 25576 38 1 . 1 1 8 8 PRO CA C 8 63.029 63.029 63.153 -0.124 25576 39 1 . 1 1 8 8 PRO CB C 8 32.158 32.158 32.024 0.134 25576 40 1 . 1 1 9 9 SER N N 9 116.888 116.888 117.006 -0.118 25576 41 1 . 1 1 9 9 SER HA H 9 4.479 4.479 4.533 -0.054 25576 42 1 . 1 1 9 9 SER C C 9 174.261 174.261 174.305 -0.044 25576 43 1 . 1 1 9 9 SER CA C 9 58.299 58.299 58.342 -0.043 25576 44 1 . 1 1 9 9 SER CB C 9 63.848 63.848 63.744 0.104 25576 45 1 . 1 1 9 9 SER H H 9 8.596 8.596 8.354 0.242 25576 46 1 . 1 1 10 10 THR N N 10 115.838 115.838 117.021 -1.183 25576 47 1 . 1 1 10 10 THR HA H 10 4.334 4.334 4.312 0.022 25576 48 1 . 1 1 10 10 THR C C 10 176.158 176.158 174.046 2.112 25576 49 1 . 1 1 10 10 THR CA C 10 61.966 61.966 62.612 -0.646 25576 50 1 . 1 1 10 10 THR CB C 10 69.581 69.581 69.433 0.148 25576 51 1 . 1 1 10 10 THR H H 10 8.247 8.247 8.106 0.141 25576 52 1 . 1 1 11 11 GLU N N 11 122.975 122.975 123.786 -0.811 25576 53 1 . 1 1 11 11 GLU HA H 11 4.237 4.237 4.395 -0.158 25576 54 1 . 1 1 11 11 GLU C C 11 175.920 175.920 175.509 0.411 25576 55 1 . 1 1 11 11 GLU CA C 11 56.779 56.779 56.207 0.573 25576 56 1 . 1 1 11 11 GLU CB C 11 29.869 29.869 30.805 -0.936 25576 57 1 . 1 1 11 11 GLU H H 11 8.355 8.355 8.245 0.110 25576 58 1 . 1 1 12 12 ASP N N 12 122.117 122.117 124.103 -1.986 25576 59 1 . 1 1 12 12 ASP HA H 12 4.562 4.562 4.728 -0.166 25576 60 1 . 1 1 12 12 ASP C C 12 176.402 176.402 176.067 0.334 25576 61 1 . 1 1 12 12 ASP CA C 12 54.224 54.224 54.444 -0.220 25576 62 1 . 1 1 12 12 ASP CB C 12 41.161 41.161 41.504 -0.343 25576 63 1 . 1 1 12 12 ASP H H 12 8.411 8.411 8.521 -0.110 25576 64 1 . 1 1 13 13 LEU N N 13 123.695 123.695 120.368 3.327 25576 65 1 . 1 1 13 13 LEU HA H 13 4.306 4.306 4.552 -0.246 25576 66 1 . 1 1 13 13 LEU C C 13 178.231 178.231 177.185 1.046 25576 67 1 . 1 1 13 13 LEU CA C 13 55.384 55.384 54.921 0.463 25576 68 1 . 1 1 13 13 LEU CB C 13 42.132 42.132 43.068 -0.936 25576 69 1 . 1 1 13 13 LEU H H 13 8.391 8.391 8.074 0.317 25576 70 1 . 1 1 14 14 GLY N N 14 108.928 108.928 107.444 1.484 25576 71 1 . 1 1 14 14 GLY C C 14 174.014 174.014 173.683 0.331 25576 72 1 . 1 1 14 14 GLY CA C 14 45.600 45.600 44.919 0.681 25576 73 1 . 1 1 14 14 GLY H H 14 8.456 8.456 8.386 0.070 25576 74 1 . 1 1 15 15 ASP N N 15 120.427 120.427 120.839 -0.412 25576 75 1 . 1 1 15 15 ASP HA H 15 4.544 4.544 4.667 -0.123 25576 76 1 . 1 1 15 15 ASP C C 15 176.810 176.810 175.842 0.968 25576 77 1 . 1 1 15 15 ASP CA C 15 54.389 54.389 54.277 0.112 25576 78 1 . 1 1 15 15 ASP CB C 15 41.153 41.153 41.399 -0.246 25576 79 1 . 1 1 15 15 ASP H H 15 8.207 8.207 8.224 -0.017 25576 80 1 . 1 1 16 16 LYS N N 16 121.257 121.257 122.301 -1.044 25576 81 1 . 1 1 16 16 LYS HA H 16 4.269 4.269 4.543 -0.274 25576 82 1 . 1 1 16 16 LYS C C 16 176.470 176.470 175.864 0.606 25576 83 1 . 1 1 16 16 LYS CA C 16 56.579 56.579 55.350 1.229 25576 84 1 . 1 1 16 16 LYS CB C 16 29.470 29.470 33.837 -4.367 25576 85 1 . 1 1 16 16 LYS H H 16 8.302 8.302 8.187 0.115 25576 86 1 . 1 1 17 17 LYS N N 17 122.205 122.205 121.532 0.673 25576 87 1 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.414 -0.147 25576 88 1 . 1 1 17 17 LYS C C 17 176.837 176.837 175.943 0.894 25576 89 1 . 1 1 17 17 LYS CA C 17 56.177 56.177 56.080 0.097 25576 90 1 . 1 1 17 17 LYS CB C 17 32.684 32.684 33.467 -0.783 25576 91 1 . 1 1 17 17 LYS H H 17 8.383 8.383 8.403 -0.020 25576 92 1 . 1 1 18 18 GLU N N 18 121.859 121.859 119.856 2.003 25576 93 1 . 1 1 18 18 GLU HA H 18 4.252 4.252 4.499 -0.247 25576 94 1 . 1 1 18 18 GLU C C 18 176.964 176.964 175.539 1.425 25576 95 1 . 1 1 18 18 GLU CA C 18 57.094 57.094 55.880 1.214 25576 96 1 . 1 1 18 18 GLU CB C 18 30.261 30.261 30.820 -0.560 25576 97 1 . 1 1 18 18 GLU H H 18 8.497 8.497 8.514 -0.017 25576 98 1 . 1 1 19 19 GLY N N 19 109.716 109.716 108.741 0.975 25576 99 1 . 1 1 19 19 GLY C C 19 173.520 173.520 173.828 -0.308 25576 100 1 . 1 1 19 19 GLY CA C 19 45.386 45.386 45.200 0.186 25576 101 1 . 1 1 19 19 GLY H H 19 8.447 8.447 8.501 -0.054 25576 102 1 . 1 1 20 20 GLU N N 20 119.640 119.640 119.102 0.538 25576 103 1 . 1 1 20 20 GLU HA H 20 4.255 4.255 4.122 0.133 25576 104 1 . 1 1 20 20 GLU C C 20 175.453 175.453 175.143 0.310 25576 105 1 . 1 1 20 20 GLU CA C 20 56.726 56.726 56.696 0.030 25576 106 1 . 1 1 20 20 GLU CB C 20 30.806 30.806 28.951 1.855 25576 107 1 . 1 1 20 20 GLU H H 20 8.227 8.227 8.584 -0.357 25576 108 1 . 1 1 21 21 TYR N N 21 119.301 119.301 115.067 4.234 25576 109 1 . 1 1 21 21 TYR HA H 21 5.083 5.083 5.132 -0.049 25576 110 1 . 1 1 21 21 TYR C C 21 175.805 175.805 174.445 1.360 25576 111 1 . 1 1 21 21 TYR CA C 21 57.427 57.427 55.984 1.443 25576 112 1 . 1 1 21 21 TYR CB C 21 41.620 41.620 40.310 1.310 25576 113 1 . 1 1 21 21 TYR H H 21 8.367 8.367 7.222 1.145 25576 114 1 . 1 1 22 22 ILE N N 22 116.642 116.642 115.588 1.054 25576 115 1 . 1 1 22 22 ILE HA H 22 4.787 4.787 4.708 0.079 25576 116 1 . 1 1 22 22 ILE C C 22 173.467 173.467 174.401 -0.934 25576 117 1 . 1 1 22 22 ILE CA C 22 59.685 59.685 59.212 0.473 25576 118 1 . 1 1 22 22 ILE CB C 22 42.383 42.383 41.631 0.752 25576 119 1 . 1 1 22 22 ILE H H 22 9.151 9.151 9.046 0.105 25576 120 1 . 1 1 23 23 LYS N N 23 124.306 124.306 119.652 4.654 25576 121 1 . 1 1 23 23 LYS HA H 23 5.289 5.289 5.193 0.096 25576 122 1 . 1 1 23 23 LYS C C 23 175.553 175.553 175.625 -0.072 25576 123 1 . 1 1 23 23 LYS CA C 23 55.629 55.629 55.375 0.255 25576 124 1 . 1 1 23 23 LYS CB C 23 33.744 33.744 34.662 -0.918 25576 125 1 . 1 1 23 23 LYS H H 23 8.623 8.623 8.288 0.335 25576 126 1 . 1 1 24 24 LEU N N 24 124.177 124.177 121.654 2.523 25576 127 1 . 1 1 24 24 LEU HA H 24 4.974 4.974 5.134 -0.160 25576 128 1 . 1 1 24 24 LEU C C 24 175.910 175.910 174.457 1.453 25576 129 1 . 1 1 24 24 LEU CA C 24 52.835 52.835 53.993 -1.158 25576 130 1 . 1 1 24 24 LEU CB C 24 46.661 46.661 47.187 -0.526 25576 131 1 . 1 1 24 24 LEU H H 24 8.940 8.940 8.973 -0.033 25576 132 1 . 1 1 25 25 LYS N N 25 120.635 120.635 120.266 0.368 25576 133 1 . 1 1 25 25 LYS HA H 25 4.714 4.714 4.749 -0.035 25576 134 1 . 1 1 25 25 LYS C C 25 174.125 174.125 174.038 0.087 25576 135 1 . 1 1 25 25 LYS CA C 25 55.122 55.122 53.683 1.439 25576 136 1 . 1 1 25 25 LYS CB C 25 34.919 34.919 36.509 -1.590 25576 137 1 . 1 1 25 25 LYS H H 25 8.621 8.621 8.547 0.074 25576 138 1 . 1 1 26 26 VAL N N 26 124.130 124.130 124.428 -0.298 25576 139 1 . 1 1 26 26 VAL HA H 26 5.043 5.043 4.702 0.341 25576 140 1 . 1 1 26 26 VAL C C 26 176.195 176.195 174.322 1.873 25576 141 1 . 1 1 26 26 VAL CA C 26 61.193 61.193 60.244 0.949 25576 142 1 . 1 1 26 26 VAL CB C 26 32.270 32.270 35.544 -3.274 25576 143 1 . 1 1 26 26 VAL H H 26 9.113 9.113 8.662 0.451 25576 144 1 . 1 1 27 27 ILE N N 27 128.245 128.245 126.718 1.527 25576 145 1 . 1 1 27 27 ILE HA H 27 5.012 5.012 4.460 0.552 25576 146 1 . 1 1 27 27 ILE C C 27 175.976 175.976 175.235 0.741 25576 147 1 . 1 1 27 27 ILE CA C 27 59.910 59.910 58.512 1.398 25576 148 1 . 1 1 27 27 ILE CB C 27 39.851 39.851 37.379 2.472 25576 149 1 . 1 1 27 27 ILE H H 27 9.063 9.063 8.401 0.662 25576 150 1 . 1 1 28 28 GLY N N 28 113.332 113.332 112.671 0.661 25576 151 1 . 1 1 28 28 GLY C C 28 175.505 175.505 175.512 -0.007 25576 152 1 . 1 1 28 28 GLY CA C 28 43.958 43.958 44.045 -0.087 25576 153 1 . 1 1 28 28 GLY H H 28 8.485 8.485 8.184 0.301 25576 154 1 . 1 1 29 29 GLN N N 29 120.493 120.493 118.867 1.626 25576 155 1 . 1 1 29 29 GLN HA H 29 4.113 4.113 4.058 0.055 25576 156 1 . 1 1 29 29 GLN C C 29 176.003 176.003 176.811 -0.808 25576 157 1 . 1 1 29 29 GLN CA C 29 57.808 57.808 57.880 -0.072 25576 158 1 . 1 1 29 29 GLN CB C 29 28.735 28.735 28.490 0.245 25576 159 1 . 1 1 29 29 GLN H H 29 8.768 8.768 8.824 -0.056 25576 160 1 . 1 1 30 30 ASP N N 30 118.342 118.342 117.464 0.878 25576 161 1 . 1 1 30 30 ASP HA H 30 4.537 4.537 4.684 -0.147 25576 162 1 . 1 1 30 30 ASP C C 30 176.461 176.461 175.692 0.769 25576 163 1 . 1 1 30 30 ASP CA C 30 53.271 53.271 53.424 -0.153 25576 164 1 . 1 1 30 30 ASP CB C 30 39.867 39.867 40.885 -1.018 25576 165 1 . 1 1 30 30 ASP H H 30 8.335 8.335 8.047 0.288 25576 166 1 . 1 1 31 31 SER N N 31 111.069 111.069 112.795 -1.726 25576 167 1 . 1 1 31 31 SER HA H 31 4.044 4.044 4.129 -0.085 25576 168 1 . 1 1 31 31 SER C C 31 173.554 173.554 173.359 0.195 25576 169 1 . 1 1 31 31 SER CA C 31 60.529 60.529 59.119 1.410 25576 170 1 . 1 1 31 31 SER CB C 31 62.268 62.268 62.102 0.166 25576 171 1 . 1 1 31 31 SER H H 31 7.997 7.997 7.980 0.017 25576 172 1 . 1 1 32 32 SER N N 32 117.489 117.489 116.577 0.912 25576 173 1 . 1 1 32 32 SER HA H 32 4.380 4.380 4.377 0.003 25576 174 1 . 1 1 32 32 SER C C 32 173.550 173.550 174.433 -0.883 25576 175 1 . 1 1 32 32 SER CA C 32 58.590 58.590 58.805 -0.215 25576 176 1 . 1 1 32 32 SER CB C 32 64.008 64.008 63.306 0.702 25576 177 1 . 1 1 32 32 SER H H 32 8.081 8.081 8.017 0.064 25576 178 1 . 1 1 33 33 GLU N N 33 121.738 121.738 128.824 -7.086 25576 179 1 . 1 1 33 33 GLU HA H 33 5.131 5.131 5.142 -0.011 25576 180 1 . 1 1 33 33 GLU C C 33 175.317 175.317 175.955 -0.638 25576 181 1 . 1 1 33 33 GLU CA C 33 55.212 55.212 55.707 -0.495 25576 182 1 . 1 1 33 33 GLU CB C 33 32.596 32.596 30.239 2.357 25576 183 1 . 1 1 33 33 GLU H H 33 8.616 8.616 8.392 0.224 25576 184 1 . 1 1 34 34 ILE N N 34 124.389 124.389 125.047 -0.657 25576 185 1 . 1 1 34 34 ILE HA H 34 4.359 4.359 4.479 -0.120 25576 186 1 . 1 1 34 34 ILE C C 34 174.612 174.612 175.012 -0.400 25576 187 1 . 1 1 34 34 ILE CA C 34 60.266 60.266 59.481 0.785 25576 188 1 . 1 1 34 34 ILE CB C 34 40.906 40.906 39.724 1.182 25576 189 1 . 1 1 34 34 ILE H H 34 8.670 8.670 8.453 0.217 25576 190 1 . 1 1 35 35 HIS N N 35 125.683 125.683 124.901 0.782 25576 191 1 . 1 1 35 35 HIS HA H 35 5.597 5.597 4.881 0.716 25576 192 1 . 1 1 35 35 HIS C C 35 174.902 174.902 174.549 0.353 25576 193 1 . 1 1 35 35 HIS CA C 35 54.765 54.765 54.062 0.703 25576 194 1 . 1 1 35 35 HIS CB C 35 32.411 32.411 32.443 -0.032 25576 195 1 . 1 1 35 35 HIS H H 35 8.699 8.699 8.658 0.041 25576 196 1 . 1 1 36 36 PHE N N 36 119.920 119.920 120.415 -0.495 25576 197 1 . 1 1 36 36 PHE HA H 36 4.949 4.949 5.020 -0.071 25576 198 1 . 1 1 36 36 PHE C C 36 174.000 174.000 173.513 0.487 25576 199 1 . 1 1 36 36 PHE CA C 36 57.003 57.003 56.064 0.939 25576 200 1 . 1 1 36 36 PHE CB C 36 44.431 44.431 41.197 3.234 25576 201 1 . 1 1 36 36 PHE H H 36 9.103 9.103 8.146 0.957 25576 202 1 . 1 1 37 37 LYS N N 37 123.747 123.747 122.097 1.650 25576 203 1 . 1 1 37 37 LYS HA H 37 4.294 4.294 5.204 -0.910 25576 204 1 . 1 1 37 37 LYS C C 37 176.145 176.145 175.292 0.853 25576 205 1 . 1 1 37 37 LYS CA C 37 55.448 55.448 55.439 0.009 25576 206 1 . 1 1 37 37 LYS CB C 37 33.467 33.467 33.782 -0.315 25576 207 1 . 1 1 37 37 LYS H H 37 8.787 8.787 8.483 0.304 25576 208 1 . 1 1 38 38 VAL N N 38 119.736 119.736 118.365 1.371 25576 209 1 . 1 1 38 38 VAL HA H 38 4.957 4.957 4.608 0.349 25576 210 1 . 1 1 38 38 VAL C C 38 174.245 174.245 174.255 -0.010 25576 211 1 . 1 1 38 38 VAL CA C 38 58.935 58.935 59.171 -0.236 25576 212 1 . 1 1 38 38 VAL CB C 38 35.429 35.429 35.588 -0.159 25576 213 1 . 1 1 38 38 VAL H H 38 9.138 9.138 8.861 0.277 25576 214 1 . 1 1 39 39 LYS N N 39 122.359 122.359 121.178 1.181 25576 215 1 . 1 1 39 39 LYS HA H 39 3.837 3.837 4.481 -0.644 25576 216 1 . 1 1 39 39 LYS C C 39 179.383 179.383 177.677 1.706 25576 217 1 . 1 1 39 39 LYS CA C 39 56.814 56.814 56.331 0.483 25576 218 1 . 1 1 39 39 LYS CB C 39 30.576 30.576 33.722 -3.145 25576 219 1 . 1 1 39 39 LYS H H 39 8.611 8.611 8.438 0.173 25576 220 1 . 1 1 40 40 MET N N 40 119.929 119.929 119.386 0.543 25576 221 1 . 1 1 40 40 MET HA H 40 4.103 4.103 4.396 -0.293 25576 222 1 . 1 1 40 40 MET C C 40 176.546 176.546 177.208 -0.662 25576 223 1 . 1 1 40 40 MET CA C 40 57.320 57.320 58.513 -1.193 25576 224 1 . 1 1 40 40 MET CB C 40 30.903 30.903 32.852 -1.949 25576 225 1 . 1 1 40 40 MET H H 40 8.562 8.562 9.079 -0.517 25576 226 1 . 1 1 41 41 THR N N 41 100.263 100.263 109.938 -9.675 25576 227 1 . 1 1 41 41 THR HA H 41 4.349 4.349 4.362 -0.013 25576 228 1 . 1 1 41 41 THR C C 41 174.506 174.506 174.258 0.248 25576 229 1 . 1 1 41 41 THR CA C 41 60.147 60.147 61.342 -1.195 25576 230 1 . 1 1 41 41 THR CB C 41 68.836 68.836 68.490 0.346 25576 231 1 . 1 1 41 41 THR H H 41 6.974 6.974 8.003 -1.029 25576 232 1 . 1 1 42 42 THR N N 42 120.616 120.616 116.144 4.472 25576 233 1 . 1 1 42 42 THR HA H 42 4.187 4.187 4.382 -0.195 25576 234 1 . 1 1 42 42 THR C C 42 174.052 174.052 173.149 0.903 25576 235 1 . 1 1 42 42 THR CA C 42 63.153 63.153 60.614 2.539 25576 236 1 . 1 1 42 42 THR CB C 42 69.645 69.645 70.560 -0.915 25576 237 1 . 1 1 42 42 THR H H 42 7.192 7.192 7.322 -0.130 25576 238 1 . 1 1 43 43 HIS N N 43 126.236 126.236 120.807 5.429 25576 239 1 . 1 1 43 43 HIS HA H 43 4.411 4.411 4.587 -0.176 25576 240 1 . 1 1 43 43 HIS C C 43 178.431 178.431 176.532 1.899 25576 241 1 . 1 1 43 43 HIS CA C 43 57.366 57.366 55.875 1.491 25576 242 1 . 1 1 43 43 HIS CB C 43 30.155 30.155 30.951 -0.796 25576 243 1 . 1 1 43 43 HIS H H 43 8.807 8.807 8.535 0.272 25576 244 1 . 1 1 44 44 LEU N N 44 124.757 124.757 124.448 0.309 25576 245 1 . 1 1 44 44 LEU HA H 44 3.983 3.983 4.134 -0.151 25576 246 1 . 1 1 44 44 LEU C C 44 177.051 177.051 177.967 -0.916 25576 247 1 . 1 1 44 44 LEU CA C 44 58.790 58.790 55.762 3.028 25576 248 1 . 1 1 44 44 LEU CB C 44 41.240 41.240 41.026 0.214 25576 249 1 . 1 1 44 44 LEU H H 44 9.349 9.349 9.013 0.336 25576 250 1 . 1 1 45 45 LYS N N 45 121.424 121.424 119.170 2.254 25576 251 1 . 1 1 45 45 LYS HA H 45 3.584 3.584 3.864 -0.280 25576 252 1 . 1 1 45 45 LYS C C 45 176.867 176.867 178.158 -1.290 25576 253 1 . 1 1 45 45 LYS CA C 45 60.662 60.662 59.282 1.380 25576 254 1 . 1 1 45 45 LYS CB C 45 33.389 33.389 31.208 2.181 25576 255 1 . 1 1 45 45 LYS H H 45 8.543 8.543 7.753 0.790 25576 256 1 . 1 1 46 46 LYS N N 46 114.033 114.033 118.578 -4.545 25576 257 1 . 1 1 46 46 LYS HA H 46 4.087 4.087 4.128 -0.041 25576 258 1 . 1 1 46 46 LYS C C 46 178.977 178.977 178.451 0.526 25576 259 1 . 1 1 46 46 LYS CA C 46 58.615 58.615 58.760 -0.145 25576 260 1 . 1 1 46 46 LYS CB C 46 31.643 31.643 31.753 -0.110 25576 261 1 . 1 1 46 46 LYS H H 46 7.517 7.517 7.497 0.020 25576 262 1 . 1 1 47 47 LEU N N 47 121.871 121.871 121.409 0.462 25576 263 1 . 1 1 47 47 LEU HA H 47 3.660 3.660 3.791 -0.131 25576 264 1 . 1 1 47 47 LEU C C 47 177.575 177.575 178.035 -0.460 25576 265 1 . 1 1 47 47 LEU CA C 47 58.514 58.514 57.620 0.894 25576 266 1 . 1 1 47 47 LEU CB C 47 41.890 41.890 41.739 0.151 25576 267 1 . 1 1 47 47 LEU H H 47 6.739 6.739 7.322 -0.583 25576 268 1 . 1 1 48 48 LYS N N 48 118.246 118.246 118.757 -0.511 25576 269 1 . 1 1 48 48 LYS HA H 48 3.081 3.081 4.101 -1.020 25576 270 1 . 1 1 48 48 LYS C C 48 178.700 178.700 178.882 -0.182 25576 271 1 . 1 1 48 48 LYS CA C 48 59.712 59.712 60.016 -0.304 25576 272 1 . 1 1 48 48 LYS CB C 48 32.411 32.411 31.785 0.626 25576 273 1 . 1 1 48 48 LYS H H 48 7.556 7.556 8.347 -0.791 25576 274 1 . 1 1 49 49 GLU N N 49 118.092 118.092 118.260 -0.168 25576 275 1 . 1 1 49 49 GLU HA H 49 3.973 3.973 3.936 0.037 25576 276 1 . 1 1 49 49 GLU C C 49 179.453 179.453 178.672 0.781 25576 277 1 . 1 1 49 49 GLU CA C 49 59.627 59.627 58.953 0.674 25576 278 1 . 1 1 49 49 GLU CB C 49 30.120 30.120 28.698 1.422 25576 279 1 . 1 1 49 49 GLU H H 49 8.500 8.500 8.157 0.343 25576 280 1 . 1 1 50 50 SER N N 50 115.646 115.646 116.942 -1.296 25576 281 1 . 1 1 50 50 SER HA H 50 4.260 4.260 4.171 0.089 25576 282 1 . 1 1 50 50 SER C C 50 177.171 177.171 176.646 0.525 25576 283 1 . 1 1 50 50 SER CA C 50 61.947 61.947 61.591 0.356 25576 284 1 . 1 1 50 50 SER CB C 50 63.258 63.258 63.127 0.131 25576 285 1 . 1 1 50 50 SER H H 50 7.966 7.966 7.728 0.238 25576 286 1 . 1 1 51 51 TYR N N 51 122.610 122.610 119.939 2.671 25576 287 1 . 1 1 51 51 TYR HA H 51 4.026 4.026 4.472 -0.446 25576 288 1 . 1 1 51 51 TYR C C 51 177.374 177.374 177.201 0.173 25576 289 1 . 1 1 51 51 TYR CA C 51 63.608 63.608 59.942 3.666 25576 290 1 . 1 1 51 51 TYR CB C 51 38.618 38.618 37.603 1.015 25576 291 1 . 1 1 51 51 TYR H H 51 8.833 8.833 8.077 0.756 25576 292 1 . 1 1 52 52 CYS N N 52 117.395 117.395 119.648 -2.253 25576 293 1 . 1 1 52 52 CYS HA H 52 3.915 3.915 3.735 0.180 25576 294 1 . 1 1 52 52 CYS C C 52 177.182 177.182 176.600 0.582 25576 295 1 . 1 1 52 52 CYS CA C 52 65.108 65.108 64.445 0.663 25576 296 1 . 1 1 52 52 CYS CB C 52 26.151 26.151 27.140 -0.989 25576 297 1 . 1 1 52 52 CYS H H 52 8.676 8.676 7.385 1.291 25576 298 1 . 1 1 53 53 GLN N N 53 119.196 119.196 118.846 0.350 25576 299 1 . 1 1 53 53 GLN HA H 53 4.109 4.109 3.988 0.121 25576 300 1 . 1 1 53 53 GLN C C 53 179.105 179.105 178.180 0.925 25576 301 1 . 1 1 53 53 GLN CA C 53 58.973 58.973 58.301 0.672 25576 302 1 . 1 1 53 53 GLN CB C 53 28.211 28.211 27.980 0.231 25576 303 1 . 1 1 53 53 GLN H H 53 8.322 8.322 8.042 0.280 25576 304 1 . 1 1 54 54 ARG N N 54 120.139 120.139 119.481 0.658 25576 305 1 . 1 1 54 54 ARG HA H 54 4.018 4.018 4.118 -0.100 25576 306 1 . 1 1 54 54 ARG C C 54 178.300 178.300 178.501 -0.201 25576 307 1 . 1 1 54 54 ARG CA C 54 58.552 58.552 58.292 0.260 25576 308 1 . 1 1 54 54 ARG CB C 54 29.669 29.669 29.845 -0.176 25576 309 1 . 1 1 54 54 ARG H H 54 8.011 8.011 7.731 0.280 25576 310 1 . 1 1 55 55 GLN N N 55 114.160 114.160 116.239 -2.079 25576 311 1 . 1 1 55 55 GLN HA H 55 4.251 4.251 4.340 -0.089 25576 312 1 . 1 1 55 55 GLN C C 55 176.410 176.410 176.978 -0.568 25576 313 1 . 1 1 55 55 GLN CA C 55 55.119 55.119 56.873 -1.754 25576 314 1 . 1 1 55 55 GLN CB C 55 29.424 29.424 29.566 -0.142 25576 315 1 . 1 1 55 55 GLN H H 55 7.806 7.806 7.724 0.082 25576 316 1 . 1 1 56 56 GLY N N 56 109.749 109.749 107.620 2.129 25576 317 1 . 1 1 56 56 GLY C C 56 174.908 174.908 174.032 0.876 25576 318 1 . 1 1 56 56 GLY CA C 56 46.658 46.658 45.284 1.374 25576 319 1 . 1 1 56 56 GLY H H 56 7.932 7.932 7.754 0.178 25576 320 1 . 1 1 57 57 VAL N N 57 111.990 111.990 115.962 -3.972 25576 321 1 . 1 1 57 57 VAL HA H 57 4.941 4.941 4.689 0.252 25576 322 1 . 1 1 57 57 VAL CA C 57 57.534 57.534 57.987 -0.453 25576 323 1 . 1 1 57 57 VAL CB C 57 32.697 32.697 33.601 -0.904 25576 324 1 . 1 1 57 57 VAL H H 57 7.651 7.651 7.561 0.090 25576 325 1 . 1 1 58 58 PRO HA H 58 4.528 4.528 4.584 -0.056 25576 326 1 . 1 1 58 58 PRO C C 58 179.169 179.169 177.422 1.747 25576 327 1 . 1 1 58 58 PRO CA C 58 62.211 62.211 62.494 -0.283 25576 328 1 . 1 1 58 58 PRO CB C 58 32.543 32.543 32.654 -0.111 25576 329 1 . 1 1 59 59 MET N N 59 124.522 124.522 118.994 5.528 25576 330 1 . 1 1 59 59 MET HA H 59 4.703 4.703 4.213 0.490 25576 331 1 . 1 1 59 59 MET C C 59 177.459 177.459 175.974 1.485 25576 332 1 . 1 1 59 59 MET CA C 59 58.247 58.247 57.893 0.354 25576 333 1 . 1 1 59 59 MET CB C 59 32.795 32.795 32.398 0.397 25576 334 1 . 1 1 59 59 MET H H 59 9.002 9.002 8.572 0.430 25576 335 1 . 1 1 60 60 ASN N N 60 113.185 113.185 112.875 0.310 25576 336 1 . 1 1 60 60 ASN HA H 60 4.673 4.673 4.639 0.034 25576 337 1 . 1 1 60 60 ASN C C 60 175.674 175.674 175.984 -0.310 25576 338 1 . 1 1 60 60 ASN CA C 60 53.935 53.935 53.828 0.107 25576 339 1 . 1 1 60 60 ASN CB C 60 37.217 37.217 37.934 -0.717 25576 340 1 . 1 1 60 60 ASN H H 60 8.424 8.424 8.146 0.278 25576 341 1 . 1 1 61 61 SER N N 61 113.092 113.092 114.703 -1.611 25576 342 1 . 1 1 61 61 SER HA H 61 4.500 4.500 4.527 -0.027 25576 343 1 . 1 1 61 61 SER C C 61 173.455 173.455 173.377 0.078 25576 344 1 . 1 1 61 61 SER CA C 61 59.609 59.609 60.199 -0.590 25576 345 1 . 1 1 61 61 SER CB C 61 64.812 64.812 64.351 0.461 25576 346 1 . 1 1 61 61 SER H H 61 7.931 7.931 7.750 0.181 25576 347 1 . 1 1 62 62 LEU N N 62 120.961 120.961 116.564 4.397 25576 348 1 . 1 1 62 62 LEU HA H 62 5.109 5.109 5.045 0.064 25576 349 1 . 1 1 62 62 LEU C C 62 175.588 175.588 175.574 0.014 25576 350 1 . 1 1 62 62 LEU CA C 62 53.575 53.575 52.949 0.626 25576 351 1 . 1 1 62 62 LEU CB C 62 46.262 46.262 44.945 1.317 25576 352 1 . 1 1 62 62 LEU H H 62 7.265 7.265 7.157 0.108 25576 353 1 . 1 1 63 63 ARG N N 63 120.142 120.142 119.588 0.554 25576 354 1 . 1 1 63 63 ARG HA H 63 4.668 4.668 4.357 0.311 25576 355 1 . 1 1 63 63 ARG C C 63 172.784 172.784 174.978 -2.194 25576 356 1 . 1 1 63 63 ARG CA C 63 54.488 54.488 54.506 -0.018 25576 357 1 . 1 1 63 63 ARG CB C 63 33.111 33.111 32.109 1.002 25576 358 1 . 1 1 63 63 ARG H H 63 8.993 8.993 8.922 0.071 25576 359 1 . 1 1 64 64 PHE N N 64 122.537 122.537 122.415 0.122 25576 360 1 . 1 1 64 64 PHE HA H 64 4.959 4.959 5.534 -0.575 25576 361 1 . 1 1 64 64 PHE C C 64 174.150 174.150 174.377 -0.227 25576 362 1 . 1 1 64 64 PHE CA C 64 56.347 56.347 54.807 1.540 25576 363 1 . 1 1 64 64 PHE CB C 64 40.762 40.762 39.469 1.293 25576 364 1 . 1 1 64 64 PHE H H 64 8.923 8.923 8.074 0.849 25576 365 1 . 1 1 65 65 LEU N N 65 124.212 124.212 119.836 4.376 25576 366 1 . 1 1 65 65 LEU HA H 65 5.290 5.290 5.704 -0.413 25576 367 1 . 1 1 65 65 LEU C C 65 175.903 175.903 174.391 1.512 25576 368 1 . 1 1 65 65 LEU CA C 65 53.729 53.729 53.492 0.237 25576 369 1 . 1 1 65 65 LEU CB C 65 46.385 46.385 46.229 0.156 25576 370 1 . 1 1 65 65 LEU H H 65 9.738 9.738 9.235 0.503 25576 371 1 . 1 1 66 66 PHE N N 66 119.384 119.384 120.901 -1.517 25576 372 1 . 1 1 66 66 PHE HA H 66 5.202 5.202 4.993 0.209 25576 373 1 . 1 1 66 66 PHE C C 66 175.017 175.017 174.786 0.231 25576 374 1 . 1 1 66 66 PHE CA C 66 56.291 56.291 57.570 -1.279 25576 375 1 . 1 1 66 66 PHE CB C 66 41.700 41.700 42.705 -1.005 25576 376 1 . 1 1 66 66 PHE H H 66 8.968 8.968 9.068 -0.100 25576 377 1 . 1 1 67 67 GLU N N 67 129.196 129.196 124.811 4.385 25576 378 1 . 1 1 67 67 GLU HA H 67 3.540 3.540 3.595 -0.055 25576 379 1 . 1 1 67 67 GLU C C 67 176.778 176.778 176.104 0.674 25576 380 1 . 1 1 67 67 GLU CA C 67 56.769 56.769 56.776 -0.007 25576 381 1 . 1 1 67 67 GLU CB C 67 26.897 26.897 27.357 -0.460 25576 382 1 . 1 1 67 67 GLU H H 67 9.381 9.381 8.720 0.661 25576 383 1 . 1 1 68 68 GLY N N 68 103.263 103.263 105.031 -1.768 25576 384 1 . 1 1 68 68 GLY C C 68 173.651 173.651 173.176 0.475 25576 385 1 . 1 1 68 68 GLY CA C 68 45.476 45.476 44.906 0.570 25576 386 1 . 1 1 68 68 GLY H H 68 8.858 8.858 8.276 0.582 25576 387 1 . 1 1 69 69 GLN N N 69 120.732 120.732 118.689 2.043 25576 388 1 . 1 1 69 69 GLN HA H 69 4.589 4.589 4.716 -0.127 25576 389 1 . 1 1 69 69 GLN C C 69 175.204 175.204 174.640 0.564 25576 390 1 . 1 1 69 69 GLN CA C 69 53.776 53.776 54.070 -0.294 25576 391 1 . 1 1 69 69 GLN CB C 69 30.660 30.660 31.908 -1.248 25576 392 1 . 1 1 69 69 GLN H H 69 7.996 7.996 8.079 -0.083 25576 393 1 . 1 1 70 70 ARG N N 70 125.102 125.102 124.394 0.708 25576 394 1 . 1 1 70 70 ARG HA H 70 4.395 4.395 4.718 -0.323 25576 395 1 . 1 1 70 70 ARG C C 70 177.004 177.004 175.723 1.281 25576 396 1 . 1 1 70 70 ARG CA C 70 57.305 57.305 55.896 1.409 25576 397 1 . 1 1 70 70 ARG CB C 70 30.511 30.511 30.966 -0.455 25576 398 1 . 1 1 70 70 ARG H H 70 8.823 8.823 8.778 0.045 25576 399 1 . 1 1 71 71 ILE N N 71 126.949 126.949 122.907 4.042 25576 400 1 . 1 1 71 71 ILE HA H 71 4.477 4.477 4.502 -0.025 25576 401 1 . 1 1 71 71 ILE C C 71 176.145 176.145 175.284 0.861 25576 402 1 . 1 1 71 71 ILE CA C 71 61.337 61.337 59.192 2.145 25576 403 1 . 1 1 71 71 ILE CB C 71 39.067 39.067 36.585 2.482 25576 404 1 . 1 1 71 71 ILE H H 71 9.020 9.020 8.621 0.399 25576 405 1 . 1 1 72 72 ALA N N 72 139.307 139.307 130.208 9.099 25576 406 1 . 1 1 72 72 ALA HA H 72 4.334 4.334 4.437 -0.103 25576 407 1 . 1 1 72 72 ALA C C 72 177.973 177.973 178.134 -0.161 25576 408 1 . 1 1 72 72 ALA CA C 72 50.785 50.785 50.163 0.622 25576 409 1 . 1 1 72 72 ALA CB C 72 18.407 18.407 20.798 -2.391 25576 410 1 . 1 1 72 72 ALA H H 72 10.910 10.910 7.954 2.956 25576 411 1 . 1 1 73 73 ASP N N 73 120.493 120.493 119.088 1.405 25576 412 1 . 1 1 73 73 ASP HA H 73 3.823 3.823 4.239 -0.416 25576 413 1 . 1 1 73 73 ASP C C 73 176.104 176.104 176.409 -0.305 25576 414 1 . 1 1 73 73 ASP CA C 73 57.113 57.113 56.878 0.235 25576 415 1 . 1 1 73 73 ASP CB C 73 40.032 40.032 40.695 -0.663 25576 416 1 . 1 1 73 73 ASP H H 73 8.770 8.770 8.631 0.139 25576 417 1 . 1 1 74 74 ASN N N 74 109.526 109.526 114.691 -5.165 25576 418 1 . 1 1 74 74 ASN HA H 74 4.245 4.245 4.062 0.183 25576 419 1 . 1 1 74 74 ASN C C 74 176.050 176.050 174.575 1.476 25576 420 1 . 1 1 74 74 ASN CA C 74 52.073 52.073 52.571 -0.498 25576 421 1 . 1 1 74 74 ASN CB C 74 37.343 37.343 38.502 -1.159 25576 422 1 . 1 1 74 74 ASN H H 74 7.738 7.738 8.107 -0.369 25576 423 1 . 1 1 75 75 HIS N N 75 119.821 119.821 120.270 -0.449 25576 424 1 . 1 1 75 75 HIS HA H 75 4.908 4.908 4.594 0.314 25576 425 1 . 1 1 75 75 HIS C C 75 175.680 175.680 174.154 1.526 25576 426 1 . 1 1 75 75 HIS CA C 75 56.606 56.606 55.977 0.629 25576 427 1 . 1 1 75 75 HIS CB C 75 33.549 33.549 31.226 2.323 25576 428 1 . 1 1 75 75 HIS H H 75 7.149 7.149 7.535 -0.386 25576 429 1 . 1 1 76 76 THR N N 76 108.304 108.304 114.247 -5.943 25576 430 1 . 1 1 76 76 THR HA H 76 5.197 5.197 5.209 -0.012 25576 431 1 . 1 1 76 76 THR CA C 76 57.594 57.594 57.902 -0.308 25576 432 1 . 1 1 76 76 THR CB C 76 70.033 70.033 70.970 -0.937 25576 433 1 . 1 1 76 76 THR H H 76 7.303 7.303 8.304 -1.001 25576 434 1 . 1 1 77 77 PRO HA H 77 4.241 4.241 4.167 0.074 25576 435 1 . 1 1 77 77 PRO C C 77 178.445 178.445 177.973 0.472 25576 436 1 . 1 1 77 77 PRO CA C 77 65.724 65.724 65.181 0.543 25576 437 1 . 1 1 77 77 PRO CB C 77 32.479 32.479 31.907 0.572 25576 438 1 . 1 1 78 78 LYS N N 78 115.329 115.329 116.232 -0.903 25576 439 1 . 1 1 78 78 LYS HA H 78 3.956 3.956 4.073 -0.117 25576 440 1 . 1 1 78 78 LYS C C 78 179.328 179.328 178.804 0.524 25576 441 1 . 1 1 78 78 LYS CA C 78 59.012 59.012 59.119 -0.107 25576 442 1 . 1 1 78 78 LYS CB C 78 32.845 32.845 31.604 1.241 25576 443 1 . 1 1 78 78 LYS H H 78 8.073 8.073 7.671 0.402 25576 444 1 . 1 1 79 79 GLU N N 79 120.840 120.840 119.539 1.301 25576 445 1 . 1 1 79 79 GLU HA H 79 3.957 3.957 4.137 -0.180 25576 446 1 . 1 1 79 79 GLU C C 79 178.566 178.566 178.425 0.141 25576 447 1 . 1 1 79 79 GLU CA C 79 58.790 58.790 58.350 0.440 25576 448 1 . 1 1 79 79 GLU CB C 79 30.290 30.290 29.417 0.873 25576 449 1 . 1 1 79 79 GLU H H 79 7.978 7.978 7.537 0.441 25576 450 1 . 1 1 80 80 LEU N N 80 115.072 115.072 117.610 -2.538 25576 451 1 . 1 1 80 80 LEU HA H 80 4.222 4.222 4.330 -0.108 25576 452 1 . 1 1 80 80 LEU C C 80 176.602 176.602 177.506 -0.904 25576 453 1 . 1 1 80 80 LEU CA C 80 54.613 54.613 55.172 -0.559 25576 454 1 . 1 1 80 80 LEU CB C 80 42.453 42.453 42.103 0.350 25576 455 1 . 1 1 80 80 LEU H H 80 7.486 7.486 8.006 -0.520 25576 456 1 . 1 1 81 81 GLY N N 81 108.019 108.019 106.701 1.318 25576 457 1 . 1 1 81 81 GLY C C 81 175.390 175.390 174.190 1.200 25576 458 1 . 1 1 81 81 GLY CA C 81 46.622 46.622 45.186 1.436 25576 459 1 . 1 1 81 81 GLY H H 81 7.644 7.644 7.379 0.265 25576 460 1 . 1 1 82 82 MET N N 82 117.606 117.606 118.365 -0.759 25576 461 1 . 1 1 82 82 MET HA H 82 4.185 4.185 4.926 -0.741 25576 462 1 . 1 1 82 82 MET C C 82 174.482 174.482 175.124 -0.642 25576 463 1 . 1 1 82 82 MET CA C 82 57.019 57.019 54.950 2.069 25576 464 1 . 1 1 82 82 MET CB C 82 34.089 34.089 35.535 -1.446 25576 465 1 . 1 1 82 82 MET H H 82 7.628 7.628 8.181 -0.553 25576 466 1 . 1 1 83 83 GLU N N 83 120.980 120.980 118.124 2.856 25576 467 1 . 1 1 83 83 GLU HA H 83 4.457 4.457 4.767 -0.310 25576 468 1 . 1 1 83 83 GLU C C 83 174.297 174.297 175.455 -1.158 25576 469 1 . 1 1 83 83 GLU CA C 83 53.875 53.875 54.158 -0.283 25576 470 1 . 1 1 83 83 GLU CB C 83 33.937 33.937 32.277 1.660 25576 471 1 . 1 1 83 83 GLU H H 83 9.314 9.314 8.198 1.116 25576 472 1 . 1 1 84 84 GLU N N 84 119.063 119.063 120.443 -1.380 25576 473 1 . 1 1 84 84 GLU HA H 84 4.199 4.199 4.165 0.034 25576 474 1 . 1 1 84 84 GLU C C 84 177.527 177.527 176.551 0.976 25576 475 1 . 1 1 84 84 GLU CA C 84 58.549 58.549 56.937 1.612 25576 476 1 . 1 1 84 84 GLU CB C 84 29.993 29.993 29.422 0.571 25576 477 1 . 1 1 84 84 GLU H H 84 8.341 8.341 8.531 -0.190 25576 478 1 . 1 1 85 85 GLU N N 85 118.840 118.840 118.877 -0.037 25576 479 1 . 1 1 85 85 GLU HA H 85 3.645 3.645 3.859 -0.214 25576 480 1 . 1 1 85 85 GLU C C 85 175.047 175.047 175.414 -0.366 25576 481 1 . 1 1 85 85 GLU CA C 85 58.846 58.846 58.010 0.836 25576 482 1 . 1 1 85 85 GLU CB C 85 26.691 26.691 28.984 -2.293 25576 483 1 . 1 1 85 85 GLU H H 85 9.357 9.357 9.086 0.271 25576 484 1 . 1 1 86 86 ASP N N 86 120.217 120.217 119.511 0.706 25576 485 1 . 1 1 86 86 ASP HA H 86 4.880 4.880 4.591 0.289 25576 486 1 . 1 1 86 86 ASP C C 86 174.417 174.417 174.761 -0.344 25576 487 1 . 1 1 86 86 ASP CA C 86 55.822 55.822 55.556 0.266 25576 488 1 . 1 1 86 86 ASP CB C 86 41.926 41.926 42.384 -0.458 25576 489 1 . 1 1 86 86 ASP H H 86 8.155 8.155 7.642 0.513 25576 490 1 . 1 1 87 87 VAL N N 87 116.641 116.641 120.229 -3.588 25576 491 1 . 1 1 87 87 VAL HA H 87 4.924 4.924 5.105 -0.181 25576 492 1 . 1 1 87 87 VAL C C 87 176.064 176.064 174.570 1.494 25576 493 1 . 1 1 87 87 VAL CA C 87 61.311 61.311 60.172 1.139 25576 494 1 . 1 1 87 87 VAL CB C 87 35.067 35.067 35.004 0.063 25576 495 1 . 1 1 87 87 VAL H H 87 8.191 8.191 8.274 -0.083 25576 496 1 . 1 1 88 88 ILE N N 88 127.353 127.353 126.372 0.981 25576 497 1 . 1 1 88 88 ILE HA H 88 4.845 4.845 4.643 0.202 25576 498 1 . 1 1 88 88 ILE C C 88 174.967 174.967 173.901 1.066 25576 499 1 . 1 1 88 88 ILE CA C 88 59.381 59.381 59.805 -0.424 25576 500 1 . 1 1 88 88 ILE CB C 88 40.984 40.984 40.963 0.021 25576 501 1 . 1 1 88 88 ILE H H 88 9.165 9.165 8.983 0.182 25576 502 1 . 1 1 89 89 GLU N N 89 125.851 125.851 123.664 2.186 25576 503 1 . 1 1 89 89 GLU HA H 89 4.820 4.820 4.676 0.144 25576 504 1 . 1 1 89 89 GLU C C 89 175.262 175.262 174.852 0.410 25576 505 1 . 1 1 89 89 GLU CA C 89 55.158 55.158 54.820 0.338 25576 506 1 . 1 1 89 89 GLU CB C 89 33.359 33.359 32.257 1.102 25576 507 1 . 1 1 89 89 GLU H H 89 8.858 8.858 8.693 0.165 25576 508 1 . 1 1 90 90 VAL N N 90 119.735 119.735 125.585 -5.850 25576 509 1 . 1 1 90 90 VAL HA H 90 4.817 4.817 5.368 -0.551 25576 510 1 . 1 1 90 90 VAL C C 90 174.870 174.870 174.575 0.295 25576 511 1 . 1 1 90 90 VAL CA C 90 59.412 59.412 60.509 -1.097 25576 512 1 . 1 1 90 90 VAL CB C 90 34.031 34.031 34.480 -0.449 25576 513 1 . 1 1 90 90 VAL H H 90 7.770 7.770 8.119 -0.349 25576 514 1 . 1 1 91 91 TYR N N 91 124.243 124.243 124.407 -0.164 25576 515 1 . 1 1 91 91 TYR HA H 91 4.621 4.621 4.761 -0.140 25576 516 1 . 1 1 91 91 TYR C C 91 174.588 174.588 174.582 0.006 25576 517 1 . 1 1 91 91 TYR CA C 91 56.018 56.018 56.824 -0.806 25576 518 1 . 1 1 91 91 TYR CB C 91 42.641 42.641 42.176 0.465 25576 519 1 . 1 1 91 91 TYR H H 91 8.540 8.540 9.162 -0.623 25576 520 1 . 1 1 92 92 GLN N N 92 120.784 120.784 119.743 1.041 25576 521 1 . 1 1 92 92 GLN HA H 92 4.529 4.529 4.656 -0.127 25576 522 1 . 1 1 92 92 GLN C C 92 176.679 176.679 175.667 1.012 25576 523 1 . 1 1 92 92 GLN CA C 92 56.135 56.135 55.288 0.847 25576 524 1 . 1 1 92 92 GLN CB C 92 29.342 29.342 30.395 -1.053 25576 525 1 . 1 1 92 92 GLN H H 92 8.726 8.726 8.782 -0.056 25576 526 1 . 1 1 93 93 GLU N N 93 125.131 125.131 123.238 1.893 25576 527 1 . 1 1 93 93 GLU HA H 93 4.364 4.364 4.551 -0.187 25576 528 1 . 1 1 93 93 GLU C C 93 176.244 176.244 176.641 -0.397 25576 529 1 . 1 1 93 93 GLU CA C 93 56.111 56.111 55.710 0.401 25576 530 1 . 1 1 93 93 GLU CB C 93 30.517 30.517 30.376 0.141 25576 531 1 . 1 1 93 93 GLU H H 93 8.419 8.419 9.014 -0.595 25576 532 1 . 1 1 94 94 GLN N N 94 122.912 122.912 120.055 2.857 25576 533 1 . 1 1 94 94 GLN HA H 94 4.439 4.439 4.218 0.221 25576 534 1 . 1 1 94 94 GLN C C 94 176.135 176.135 176.418 -0.283 25576 535 1 . 1 1 94 94 GLN CA C 94 55.585 55.585 56.716 -1.131 25576 536 1 . 1 1 94 94 GLN CB C 94 29.513 29.513 29.274 0.239 25576 537 1 . 1 1 94 94 GLN H H 94 8.780 8.780 7.982 0.798 25576 538 1 . 1 1 95 95 THR N N 95 116.094 116.094 111.938 4.156 25576 539 1 . 1 1 95 95 THR HA H 95 4.294 4.294 4.503 -0.209 25576 540 1 . 1 1 95 95 THR C C 95 175.136 175.136 173.958 1.178 25576 541 1 . 1 1 95 95 THR CA C 95 61.971 61.971 61.749 0.222 25576 542 1 . 1 1 95 95 THR CB C 95 69.829 69.829 69.653 0.176 25576 543 1 . 1 1 95 95 THR H H 95 8.392 8.392 8.318 0.074 25576 544 1 . 1 1 96 96 GLY N N 96 111.858 111.858 111.695 0.163 25576 545 1 . 1 1 96 96 GLY C C 96 173.704 173.704 174.085 -0.381 25576 546 1 . 1 1 96 96 GLY CA C 96 45.424 45.424 45.145 0.279 25576 547 1 . 1 1 96 96 GLY H H 96 8.508 8.508 8.683 -0.175 25576 stop_ save_