data_18364 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18364 _Entry.PDB_ID 2LRG 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 18364 _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 ALA CA C 2 50.698 50.698 52.581 -1.883 18364 2 1 1 . 1 1 2 2 ALA CB C 2 16.688 16.688 19.337 -2.649 18364 3 1 1 . 1 1 3 3 SER N N 3 113.663 113.663 114.990 -1.327 18364 4 1 1 . 1 1 3 3 SER HA H 3 4.296 4.296 4.473 -0.177 18364 5 1 1 . 1 1 3 3 SER CA C 3 55.573 55.573 57.149 -1.576 18364 6 1 1 . 1 1 3 3 SER CB C 3 60.888 60.888 64.341 -3.453 18364 7 1 1 . 1 1 3 3 SER H H 3 8.301 8.301 8.056 0.245 18364 8 1 1 . 1 1 4 4 ASP N N 4 121.532 121.532 121.551 -0.019 18364 9 1 1 . 1 1 4 4 ASP HA H 4 4.394 4.394 4.388 0.006 18364 10 1 1 . 1 1 4 4 ASP CA C 4 51.748 51.748 54.147 -2.399 18364 11 1 1 . 1 1 4 4 ASP CB C 4 38.614 38.614 38.755 -0.141 18364 12 1 1 . 1 1 4 4 ASP H H 4 7.874 7.874 7.996 -0.122 18364 13 1 1 . 1 1 5 5 PHE N N 5 119.126 119.126 122.182 -3.056 18364 14 1 1 . 1 1 5 5 PHE HA H 5 4.535 4.535 4.833 -0.298 18364 15 1 1 . 1 1 5 5 PHE CA C 5 54.589 54.589 57.658 -3.069 18364 16 1 1 . 1 1 5 5 PHE CB C 5 37.079 37.079 40.095 -3.016 18364 17 1 1 . 1 1 5 5 PHE H H 5 7.832 7.832 7.722 0.110 18364 18 1 1 . 1 1 6 6 GLN N N 6 122.092 122.092 124.368 -2.276 18364 19 1 1 . 1 1 6 6 GLN HA H 6 4.417 4.417 4.726 -0.309 18364 20 1 1 . 1 1 6 6 GLN CA C 6 53.128 53.128 55.036 -1.908 18364 21 1 1 . 1 1 6 6 GLN CB C 6 27.477 27.477 31.906 -4.429 18364 22 1 1 . 1 1 6 6 GLN H H 6 8.447 8.447 8.491 -0.044 18364 23 1 1 . 1 1 7 7 THR N N 7 114.717 114.717 112.427 2.290 18364 24 1 1 . 1 1 7 7 THR HA H 7 5.035 5.035 4.662 0.373 18364 25 1 1 . 1 1 7 7 THR CA C 7 57.906 57.906 60.582 -2.676 18364 26 1 1 . 1 1 7 7 THR CB C 7 68.370 68.370 71.831 -3.461 18364 27 1 1 . 1 1 7 7 THR H H 7 8.145 8.145 7.949 0.196 18364 28 1 1 . 1 1 8 8 GLY N N 8 111.628 111.628 109.519 2.109 18364 29 1 1 . 1 1 8 8 GLY CA C 8 43.774 43.774 45.035 -1.261 18364 30 1 1 . 1 1 8 8 GLY H H 8 9.234 9.234 8.120 1.114 18364 31 1 1 . 1 1 9 9 ILE N N 9 119.585 119.585 124.305 -4.720 18364 32 1 1 . 1 1 9 9 ILE HA H 9 3.934 3.934 4.534 -0.600 18364 33 1 1 . 1 1 9 9 ILE CA C 9 58.907 58.907 61.001 -2.094 18364 34 1 1 . 1 1 9 9 ILE CB C 9 35.738 35.738 38.014 -2.276 18364 35 1 1 . 1 1 9 9 ILE H H 9 8.603 8.603 8.163 0.440 18364 36 1 1 . 1 1 10 10 HIS N N 10 133.616 133.616 128.099 5.517 18364 37 1 1 . 1 1 10 10 HIS HA H 10 5.185 5.185 5.243 -0.058 18364 38 1 1 . 1 1 10 10 HIS CA C 10 53.587 53.587 54.919 -1.332 18364 39 1 1 . 1 1 10 10 HIS CB C 10 30.817 30.817 32.252 -1.435 18364 40 1 1 . 1 1 10 10 HIS H H 10 8.599 8.599 9.182 -0.583 18364 41 1 1 . 1 1 11 11 LYS N N 11 122.949 122.949 120.700 2.249 18364 42 1 1 . 1 1 11 11 LYS HA H 11 5.236 5.236 5.294 -0.058 18364 43 1 1 . 1 1 11 11 LYS CA C 11 52.748 52.748 55.099 -2.351 18364 44 1 1 . 1 1 11 11 LYS CB C 11 35.137 35.137 36.961 -1.824 18364 45 1 1 . 1 1 11 11 LYS H H 11 8.775 8.775 9.046 -0.271 18364 46 1 1 . 1 1 12 12 ILE N N 12 125.260 125.260 121.128 4.132 18364 47 1 1 . 1 1 12 12 ILE HA H 12 5.273 5.273 5.171 0.102 18364 48 1 1 . 1 1 12 12 ILE CA C 12 55.780 55.780 59.549 -3.769 18364 49 1 1 . 1 1 12 12 ILE CB C 12 38.767 38.767 43.161 -4.394 18364 50 1 1 . 1 1 12 12 ILE H H 12 8.578 8.578 9.051 -0.473 18364 51 1 1 . 1 1 13 13 VAL N N 13 126.515 126.515 124.145 2.370 18364 52 1 1 . 1 1 13 13 VAL HA H 13 4.795 4.795 4.872 -0.077 18364 53 1 1 . 1 1 13 13 VAL CA C 13 58.115 58.115 60.922 -2.807 18364 54 1 1 . 1 1 13 13 VAL CB C 13 32.948 32.948 35.608 -2.660 18364 55 1 1 . 1 1 13 13 VAL H H 13 9.052 9.052 9.088 -0.036 18364 56 1 1 . 1 1 14 14 ILE N N 14 125.803 125.803 124.375 1.428 18364 57 1 1 . 1 1 14 14 ILE HA H 14 5.008 5.008 5.234 -0.226 18364 58 1 1 . 1 1 14 14 ILE CA C 14 57.539 57.539 59.619 -2.080 18364 59 1 1 . 1 1 14 14 ILE CB C 14 38.656 38.656 42.465 -3.809 18364 60 1 1 . 1 1 14 14 ILE H H 14 8.974 8.974 9.021 -0.047 18364 61 1 1 . 1 1 15 15 GLN N N 15 125.773 125.773 121.366 4.407 18364 62 1 1 . 1 1 15 15 GLN HA H 15 5.433 5.433 5.156 0.277 18364 63 1 1 . 1 1 15 15 GLN CA C 15 51.002 51.002 54.316 -3.314 18364 64 1 1 . 1 1 15 15 GLN CB C 15 29.637 29.637 33.442 -3.805 18364 65 1 1 . 1 1 15 15 GLN H H 15 9.244 9.244 8.877 0.367 18364 66 1 1 . 1 1 16 16 GLN N N 16 119.832 119.832 120.157 -0.325 18364 67 1 1 . 1 1 16 16 GLN HA H 16 5.741 5.741 5.464 0.277 18364 68 1 1 . 1 1 16 16 GLN CA C 16 50.572 50.572 53.968 -3.396 18364 69 1 1 . 1 1 16 16 GLN CB C 16 30.039 30.039 33.220 -3.181 18364 70 1 1 . 1 1 16 16 GLN H H 16 8.964 8.964 8.631 0.333 18364 71 1 1 . 1 1 17 17 SER N N 17 115.201 115.201 114.178 1.023 18364 72 1 1 . 1 1 17 17 SER HA H 17 4.526 4.526 4.859 -0.334 18364 73 1 1 . 1 1 17 17 SER CA C 17 54.831 54.831 57.292 -2.461 18364 74 1 1 . 1 1 17 17 SER CB C 17 62.930 62.930 65.945 -3.015 18364 75 1 1 . 1 1 17 17 SER H H 17 8.770 8.770 9.040 -0.270 18364 76 1 1 . 1 1 18 18 GLY N N 18 109.321 109.321 109.735 -0.414 18364 77 1 1 . 1 1 18 18 GLY CA C 18 41.737 41.737 45.050 -3.313 18364 78 1 1 . 1 1 18 18 GLY H H 18 8.798 8.798 8.361 0.437 18364 79 1 1 . 1 1 19 19 ASP N N 19 128.121 128.121 124.145 3.976 18364 80 1 1 . 1 1 19 19 ASP HA H 19 5.071 5.071 4.754 0.317 18364 81 1 1 . 1 1 19 19 ASP CA C 19 51.251 51.251 53.448 -2.197 18364 82 1 1 . 1 1 19 19 ASP CB C 19 37.872 37.872 39.811 -1.939 18364 83 1 1 . 1 1 19 19 ASP H H 19 9.708 9.708 8.177 1.531 18364 84 1 1 . 1 1 20 20 THR N N 20 111.610 111.610 115.127 -3.517 18364 85 1 1 . 1 1 20 20 THR HA H 20 3.615 3.615 4.114 -0.499 18364 86 1 1 . 1 1 20 20 THR CA C 20 63.331 63.331 65.105 -1.774 18364 87 1 1 . 1 1 20 20 THR CB C 20 64.873 64.873 68.885 -4.011 18364 88 1 1 . 1 1 20 20 THR H H 20 8.136 8.136 8.167 -0.031 18364 89 1 1 . 1 1 21 21 ASP N N 21 118.304 118.304 121.209 -2.905 18364 90 1 1 . 1 1 21 21 ASP HA H 21 4.639 4.639 4.504 0.135 18364 91 1 1 . 1 1 21 21 ASP CA C 21 52.945 52.945 56.858 -3.913 18364 92 1 1 . 1 1 21 21 ASP CB C 21 37.785 37.785 40.535 -2.750 18364 93 1 1 . 1 1 21 21 ASP H H 21 8.566 8.566 8.857 -0.291 18364 94 1 1 . 1 1 22 22 SER N N 22 114.253 114.253 111.291 2.962 18364 95 1 1 . 1 1 22 22 SER HA H 22 4.384 4.384 4.692 -0.308 18364 96 1 1 . 1 1 22 22 SER CA C 22 57.170 57.170 58.038 -0.868 18364 97 1 1 . 1 1 22 22 SER CB C 22 61.441 61.441 64.540 -3.099 18364 98 1 1 . 1 1 22 22 SER H H 22 8.076 8.076 7.684 0.392 18364 99 1 1 . 1 1 23 23 PHE N N 23 119.853 119.853 120.499 -0.646 18364 100 1 1 . 1 1 23 23 PHE HA H 23 5.010 5.010 5.146 -0.136 18364 101 1 1 . 1 1 23 23 PHE CA C 23 53.272 53.272 56.609 -3.337 18364 102 1 1 . 1 1 23 23 PHE CB C 23 42.021 42.021 41.574 0.447 18364 103 1 1 . 1 1 23 23 PHE H H 23 7.611 7.611 7.665 -0.054 18364 104 1 1 . 1 1 24 24 GLU N N 24 119.255 119.255 125.174 -5.919 18364 105 1 1 . 1 1 24 24 GLU HA H 24 4.571 4.571 4.553 0.018 18364 106 1 1 . 1 1 24 24 GLU CA C 24 52.642 52.642 56.089 -3.446 18364 107 1 1 . 1 1 24 24 GLU CB C 24 28.881 28.881 31.052 -2.171 18364 108 1 1 . 1 1 24 24 GLU H H 24 8.958 8.958 8.384 0.574 18364 109 1 1 . 1 1 25 25 VAL N N 25 130.637 130.637 125.043 5.594 18364 110 1 1 . 1 1 25 25 VAL HA H 25 4.859 4.859 4.939 -0.080 18364 111 1 1 . 1 1 25 25 VAL CA C 25 58.548 58.548 61.302 -2.754 18364 112 1 1 . 1 1 25 25 VAL CB C 25 30.439 30.439 33.711 -3.272 18364 113 1 1 . 1 1 25 25 VAL H H 25 9.678 9.678 8.689 0.989 18364 114 1 1 . 1 1 26 26 SER N N 26 122.555 122.555 123.592 -1.037 18364 115 1 1 . 1 1 26 26 SER HA H 26 5.289 5.289 5.255 0.034 18364 116 1 1 . 1 1 26 26 SER CA C 26 54.088 54.088 57.413 -3.325 18364 117 1 1 . 1 1 26 26 SER CB C 26 62.476 62.476 65.127 -2.651 18364 118 1 1 . 1 1 26 26 SER H H 26 8.883 8.883 8.874 0.009 18364 119 1 1 . 1 1 27 27 VAL N N 27 113.682 113.682 120.636 -6.954 18364 120 1 1 . 1 1 27 27 VAL HA H 27 5.269 5.269 4.771 0.498 18364 121 1 1 . 1 1 27 27 VAL CA C 27 56.005 56.005 59.373 -3.368 18364 122 1 1 . 1 1 27 27 VAL CB C 27 34.158 34.158 33.868 0.290 18364 123 1 1 . 1 1 27 27 VAL H H 27 8.493 8.493 9.057 -0.564 18364 124 1 1 . 1 1 28 28 SER N N 28 116.852 116.852 121.836 -4.984 18364 125 1 1 . 1 1 28 28 SER HA H 28 5.410 5.410 4.647 0.763 18364 126 1 1 . 1 1 28 28 SER CA C 28 54.633 54.633 59.502 -4.869 18364 127 1 1 . 1 1 28 28 SER CB C 28 62.095 62.095 63.450 -1.355 18364 128 1 1 . 1 1 28 28 SER H H 28 8.709 8.709 8.853 -0.144 18364 129 1 1 . 1 1 29 29 ILE N N 29 128.765 128.765 124.748 4.017 18364 130 1 1 . 1 1 29 29 ILE HA H 29 5.224 5.224 4.760 0.464 18364 131 1 1 . 1 1 29 29 ILE CA C 29 57.247 57.247 59.938 -2.691 18364 132 1 1 . 1 1 29 29 ILE CB C 29 39.144 39.144 40.831 -1.688 18364 133 1 1 . 1 1 29 29 ILE H H 29 9.631 9.631 8.634 0.997 18364 134 1 1 . 1 1 30 30 GLY N N 30 112.478 112.478 112.036 0.442 18364 135 1 1 . 1 1 30 30 GLY CA C 30 42.140 42.140 45.537 -3.397 18364 136 1 1 . 1 1 30 30 GLY H H 30 8.095 8.095 7.915 0.180 18364 137 1 1 . 1 1 31 31 GLY N N 31 108.502 108.502 105.354 3.148 18364 138 1 1 . 1 1 31 31 GLY CA C 31 43.201 43.201 45.178 -1.977 18364 139 1 1 . 1 1 31 31 GLY H H 31 9.755 9.755 8.129 1.626 18364 140 1 1 . 1 1 32 32 ALA N N 32 122.020 122.020 120.303 1.717 18364 141 1 1 . 1 1 32 32 ALA HA H 32 4.967 4.967 5.324 -0.357 18364 142 1 1 . 1 1 32 32 ALA CA C 32 48.540 48.540 50.458 -1.918 18364 143 1 1 . 1 1 32 32 ALA CB C 32 21.078 21.078 22.962 -1.884 18364 144 1 1 . 1 1 32 32 ALA H H 32 7.338 7.338 7.414 -0.076 18364 145 1 1 . 1 1 33 33 ASP N N 33 121.217 121.217 119.520 1.697 18364 146 1 1 . 1 1 33 33 ASP HA H 33 3.680 3.680 4.708 -1.028 18364 147 1 1 . 1 1 33 33 ASP CA C 33 49.520 49.520 52.737 -3.217 18364 148 1 1 . 1 1 33 33 ASP CB C 33 40.840 40.840 43.489 -2.650 18364 149 1 1 . 1 1 33 33 ASP H H 33 8.945 8.945 8.825 0.120 18364 150 1 1 . 1 1 34 34 LYS N N 34 117.693 117.693 120.298 -2.605 18364 151 1 1 . 1 1 34 34 LYS HA H 34 4.017 4.017 4.299 -0.282 18364 152 1 1 . 1 1 34 34 LYS CA C 34 56.700 56.700 56.407 0.293 18364 153 1 1 . 1 1 34 34 LYS CB C 34 29.772 29.772 30.942 -1.170 18364 154 1 1 . 1 1 34 34 LYS H H 34 8.200 8.200 8.559 -0.359 18364 155 1 1 . 1 1 35 35 GLY N N 35 106.697 106.697 109.369 -2.672 18364 156 1 1 . 1 1 35 35 GLY CA C 35 42.719 42.719 44.857 -2.138 18364 157 1 1 . 1 1 35 35 GLY H H 35 8.653 8.653 8.093 0.560 18364 158 1 1 . 1 1 36 36 GLY N N 36 110.824 110.824 109.355 1.469 18364 159 1 1 . 1 1 36 36 GLY CA C 36 41.099 41.099 44.717 -3.618 18364 160 1 1 . 1 1 36 36 GLY H H 36 7.601 7.601 7.710 -0.109 18364 161 1 1 . 1 1 37 37 PRO HA H 37 4.571 4.571 4.509 0.062 18364 162 1 1 . 1 1 37 37 PRO CA C 37 60.012 60.012 62.751 -2.739 18364 163 1 1 . 1 1 37 37 PRO CB C 37 29.470 29.470 32.308 -2.838 18364 164 1 1 . 1 1 38 38 ALA N N 38 127.841 127.841 125.790 2.051 18364 165 1 1 . 1 1 38 38 ALA HA H 38 4.127 4.127 4.428 -0.301 18364 166 1 1 . 1 1 38 38 ALA CA C 38 48.117 48.117 51.045 -2.928 18364 167 1 1 . 1 1 38 38 ALA CB C 38 16.655 16.655 20.538 -3.882 18364 168 1 1 . 1 1 38 38 ALA H H 38 7.486 7.486 8.122 -0.636 18364 169 1 1 . 1 1 39 39 LYS N N 39 121.148 121.148 120.208 0.940 18364 170 1 1 . 1 1 39 39 LYS HA H 39 4.115 4.115 4.491 -0.376 18364 171 1 1 . 1 1 39 39 LYS CA C 39 55.674 55.674 56.892 -1.218 18364 172 1 1 . 1 1 39 39 LYS CB C 39 31.223 31.223 33.134 -1.911 18364 173 1 1 . 1 1 39 39 LYS H H 39 8.042 8.042 8.556 -0.514 18364 174 1 1 . 1 1 40 40 LEU N N 40 118.817 118.817 121.058 -2.241 18364 175 1 1 . 1 1 40 40 LEU HA H 40 5.122 5.122 5.146 -0.024 18364 176 1 1 . 1 1 40 40 LEU CA C 40 50.156 50.156 53.097 -2.942 18364 177 1 1 . 1 1 40 40 LEU CB C 40 42.172 42.172 43.910 -1.738 18364 178 1 1 . 1 1 40 40 LEU H H 40 7.901 7.901 8.878 -0.977 18364 179 1 1 . 1 1 41 41 TYR N N 41 117.843 117.843 118.625 -0.782 18364 180 1 1 . 1 1 41 41 TYR HA H 41 5.303 5.303 5.152 0.151 18364 181 1 1 . 1 1 41 41 TYR CA C 41 53.394 53.394 56.580 -3.186 18364 182 1 1 . 1 1 41 41 TYR CB C 41 39.419 39.419 42.258 -2.839 18364 183 1 1 . 1 1 41 41 TYR H H 41 9.109 9.109 9.589 -0.480 18364 184 1 1 . 1 1 42 42 ASN N N 42 117.689 117.689 118.788 -1.099 18364 185 1 1 . 1 1 42 42 ASN HA H 42 4.984 4.984 4.981 0.003 18364 186 1 1 . 1 1 42 42 ASN CA C 42 48.001 48.001 51.760 -3.759 18364 187 1 1 . 1 1 42 42 ASN CB C 42 36.514 36.514 40.233 -3.719 18364 188 1 1 . 1 1 42 42 ASN H H 42 8.239 8.239 9.017 -0.778 18364 189 1 1 . 1 1 43 43 ASP N N 43 116.760 116.760 118.070 -1.310 18364 190 1 1 . 1 1 43 43 ASP HA H 43 4.170 4.170 4.622 -0.452 18364 191 1 1 . 1 1 43 43 ASP CA C 43 53.123 53.123 54.781 -1.657 18364 192 1 1 . 1 1 43 43 ASP CB C 43 37.355 37.355 39.946 -2.591 18364 193 1 1 . 1 1 43 43 ASP H H 43 8.650 8.650 8.844 -0.194 18364 194 1 1 . 1 1 44 44 LYS N N 44 118.108 118.108 117.972 0.136 18364 195 1 1 . 1 1 44 44 LYS HA H 44 4.359 4.359 4.457 -0.098 18364 196 1 1 . 1 1 44 44 LYS CA C 44 52.676 52.676 55.782 -3.106 18364 197 1 1 . 1 1 44 44 LYS CB C 44 30.170 30.170 32.115 -1.945 18364 198 1 1 . 1 1 44 44 LYS H H 44 7.505 7.505 7.871 -0.366 18364 199 1 1 . 1 1 45 45 GLY N N 45 108.163 108.163 108.789 -0.626 18364 200 1 1 . 1 1 45 45 GLY CA C 45 42.988 42.988 45.805 -2.817 18364 201 1 1 . 1 1 45 45 GLY H H 45 8.117 8.117 8.250 -0.133 18364 202 1 1 . 1 1 46 46 GLU N N 46 120.173 120.173 119.684 0.489 18364 203 1 1 . 1 1 46 46 GLU HA H 46 4.345 4.345 4.777 -0.432 18364 204 1 1 . 1 1 46 46 GLU CA C 46 52.409 52.409 54.660 -2.251 18364 205 1 1 . 1 1 46 46 GLU CB C 46 27.408 27.408 31.866 -4.458 18364 206 1 1 . 1 1 46 46 GLU H H 46 7.884 7.884 7.868 0.016 18364 207 1 1 . 1 1 47 47 TYR N N 47 123.803 123.803 121.775 2.028 18364 208 1 1 . 1 1 47 47 TYR HA H 47 4.351 4.351 3.856 0.495 18364 209 1 1 . 1 1 47 47 TYR CA C 47 54.317 54.317 57.747 -3.430 18364 210 1 1 . 1 1 47 47 TYR CB C 47 35.858 35.858 38.547 -2.689 18364 211 1 1 . 1 1 47 47 TYR H H 47 8.710 8.710 8.749 -0.039 18364 212 1 1 . 1 1 48 48 ILE N N 48 123.458 123.458 117.359 6.099 18364 213 1 1 . 1 1 48 48 ILE HA H 48 4.173 4.173 4.289 -0.116 18364 214 1 1 . 1 1 48 48 ILE CA C 48 58.314 58.314 60.782 -2.468 18364 215 1 1 . 1 1 48 48 ILE CB C 48 36.129 36.129 39.412 -3.283 18364 216 1 1 . 1 1 48 48 ILE H H 48 8.416 8.416 8.599 -0.183 18364 217 1 1 . 1 1 49 49 GLY N N 49 107.257 107.257 109.998 -2.741 18364 218 1 1 . 1 1 49 49 GLY CA C 49 41.367 41.367 45.578 -4.211 18364 219 1 1 . 1 1 49 49 GLY H H 49 5.472 5.472 7.649 -2.177 18364 220 1 1 . 1 1 50 50 ASP N N 50 116.887 116.887 116.877 0.010 18364 221 1 1 . 1 1 50 50 ASP HA H 50 5.043 5.043 5.146 -0.103 18364 222 1 1 . 1 1 50 50 ASP CA C 50 50.588 50.588 53.693 -3.104 18364 223 1 1 . 1 1 50 50 ASP CB C 50 37.448 37.448 42.789 -5.341 18364 224 1 1 . 1 1 50 50 ASP H H 50 8.234 8.234 8.597 -0.363 18364 225 1 1 . 1 1 51 51 SER N N 51 112.664 112.664 113.645 -0.981 18364 226 1 1 . 1 1 51 51 SER HA H 51 4.439 4.439 4.829 -0.390 18364 227 1 1 . 1 1 51 51 SER CA C 51 55.489 55.489 57.971 -2.482 18364 228 1 1 . 1 1 51 51 SER CB C 51 61.559 61.559 65.499 -3.939 18364 229 1 1 . 1 1 51 51 SER H H 51 7.689 7.689 7.604 0.085 18364 230 1 1 . 1 1 52 52 TYR N N 52 122.672 122.672 120.493 2.179 18364 231 1 1 . 1 1 52 52 TYR HA H 52 4.732 4.732 4.759 -0.027 18364 232 1 1 . 1 1 52 52 TYR CA C 52 55.168 55.168 57.639 -2.471 18364 233 1 1 . 1 1 52 52 TYR CB C 52 38.599 38.599 38.838 -0.239 18364 234 1 1 . 1 1 52 52 TYR H H 52 8.231 8.231 7.975 0.256 18364 235 1 1 . 1 1 53 53 SER N N 53 123.803 123.803 115.906 7.897 18364 236 1 1 . 1 1 53 53 SER HA H 53 5.429 5.429 5.561 -0.132 18364 237 1 1 . 1 1 53 53 SER CA C 53 53.508 53.508 56.920 -3.412 18364 238 1 1 . 1 1 53 53 SER CB C 53 61.674 61.674 66.597 -4.923 18364 239 1 1 . 1 1 53 53 SER H H 53 8.008 8.008 8.468 -0.460 18364 240 1 1 . 1 1 54 54 ALA N N 54 125.516 125.516 123.633 1.883 18364 241 1 1 . 1 1 54 54 ALA HA H 54 4.289 4.289 4.750 -0.462 18364 242 1 1 . 1 1 54 54 ALA CA C 54 49.097 49.097 51.573 -2.476 18364 243 1 1 . 1 1 54 54 ALA CB C 54 20.259 20.259 22.192 -1.933 18364 244 1 1 . 1 1 54 54 ALA H H 54 8.089 8.089 9.084 -0.995 18364 245 1 1 . 1 1 55 55 GLN N N 55 118.838 118.838 124.763 -5.925 18364 246 1 1 . 1 1 55 55 GLN HA H 55 4.975 4.975 4.801 0.174 18364 247 1 1 . 1 1 55 55 GLN CA C 55 52.306 52.306 55.187 -2.881 18364 248 1 1 . 1 1 55 55 GLN CB C 55 26.138 26.138 29.853 -3.715 18364 249 1 1 . 1 1 55 55 GLN H H 55 8.100 8.100 8.711 -0.611 18364 250 1 1 . 1 1 56 56 ILE N N 56 124.748 124.748 127.411 -2.663 18364 251 1 1 . 1 1 56 56 ILE HA H 56 4.246 4.246 4.069 0.177 18364 252 1 1 . 1 1 56 56 ILE CA C 56 57.529 57.529 61.008 -3.479 18364 253 1 1 . 1 1 56 56 ILE CB C 56 34.915 34.915 35.249 -0.334 18364 254 1 1 . 1 1 56 56 ILE H H 56 8.910 8.910 8.893 0.017 18364 255 1 1 . 1 1 57 57 ARG N N 57 127.183 127.183 126.770 0.413 18364 256 1 1 . 1 1 57 57 ARG HA H 57 4.777 4.777 4.686 0.091 18364 257 1 1 . 1 1 57 57 ARG CA C 57 52.455 52.455 54.993 -2.538 18364 258 1 1 . 1 1 57 57 ARG CB C 57 28.839 28.839 30.692 -1.853 18364 259 1 1 . 1 1 57 57 ARG H H 57 8.979 8.979 8.221 0.758 18364 260 1 1 . 1 1 58 58 THR N N 58 109.995 109.995 108.875 1.120 18364 261 1 1 . 1 1 58 58 THR HA H 58 4.529 4.529 4.580 -0.051 18364 262 1 1 . 1 1 58 58 THR CA C 58 57.124 57.124 60.906 -3.781 18364 263 1 1 . 1 1 58 58 THR CB C 58 68.143 68.143 72.223 -4.080 18364 264 1 1 . 1 1 58 58 THR H H 58 7.150 7.150 7.806 -0.656 18364 265 1 1 . 1 1 59 59 ALA N N 59 123.143 123.143 123.507 -0.364 18364 266 1 1 . 1 1 59 59 ALA HA H 59 4.167 4.167 4.187 -0.020 18364 267 1 1 . 1 1 59 59 ALA CA C 59 52.603 52.603 54.264 -1.661 18364 268 1 1 . 1 1 59 59 ALA CB C 59 16.910 16.910 19.109 -2.199 18364 269 1 1 . 1 1 59 59 ALA H H 59 8.531 8.531 8.607 -0.076 18364 270 1 1 . 1 1 60 60 THR N N 60 105.988 105.988 106.486 -0.498 18364 271 1 1 . 1 1 60 60 THR HA H 60 5.471 5.471 5.035 0.436 18364 272 1 1 . 1 1 60 60 THR CA C 60 56.904 56.904 59.873 -2.969 18364 273 1 1 . 1 1 60 60 THR CB C 60 69.111 69.111 71.622 -2.511 18364 274 1 1 . 1 1 60 60 THR H H 60 7.521 7.521 7.566 -0.045 18364 275 1 1 . 1 1 61 61 MET N N 61 124.706 124.706 121.880 2.826 18364 276 1 1 . 1 1 61 61 MET HA H 61 4.641 4.641 5.031 -0.390 18364 277 1 1 . 1 1 61 61 MET CA C 61 52.883 52.883 54.462 -1.579 18364 278 1 1 . 1 1 61 61 MET CB C 61 32.345 32.345 37.321 -4.976 18364 279 1 1 . 1 1 61 61 MET H H 61 8.758 8.758 9.196 -0.438 18364 280 1 1 . 1 1 62 62 SER N N 62 117.004 117.004 115.670 1.334 18364 281 1 1 . 1 1 62 62 SER HA H 62 5.551 5.551 5.106 0.445 18364 282 1 1 . 1 1 62 62 SER CA C 62 54.255 54.255 57.886 -3.631 18364 283 1 1 . 1 1 62 62 SER CB C 62 64.130 64.130 65.945 -1.815 18364 284 1 1 . 1 1 62 62 SER H H 62 8.164 8.164 8.464 -0.301 18364 285 1 1 . 1 1 63 63 CYS N N 63 120.270 120.270 118.400 1.870 18364 286 1 1 . 1 1 63 63 CYS HA H 63 5.075 5.075 5.165 -0.090 18364 287 1 1 . 1 1 63 63 CYS CA C 63 54.676 54.676 56.839 -2.163 18364 288 1 1 . 1 1 63 63 CYS CB C 63 28.679 28.679 32.189 -3.510 18364 289 1 1 . 1 1 63 63 CYS H H 63 8.537 8.537 8.593 -0.056 18364 290 1 1 . 1 1 64 64 CYS N N 64 120.868 120.868 117.671 3.197 18364 291 1 1 . 1 1 64 64 CYS HA H 64 5.918 5.918 5.625 0.293 18364 292 1 1 . 1 1 64 64 CYS CA C 64 53.204 53.204 56.500 -3.296 18364 293 1 1 . 1 1 64 64 CYS CB C 64 30.216 30.216 32.024 -1.808 18364 294 1 1 . 1 1 64 64 CYS H H 64 9.307 9.307 8.835 0.472 18364 295 1 1 . 1 1 65 65 THR N N 65 109.830 109.830 112.362 -2.532 18364 296 1 1 . 1 1 65 65 THR HA H 65 5.426 5.426 5.067 0.359 18364 297 1 1 . 1 1 65 65 THR CA C 65 58.465 58.465 60.087 -1.622 18364 298 1 1 . 1 1 65 65 THR CB C 65 69.665 69.665 71.106 -1.441 18364 299 1 1 . 1 1 65 65 THR H H 65 8.447 8.447 8.449 -0.002 18364 300 1 1 . 1 1 66 66 ASN N N 66 114.459 114.459 117.710 -3.251 18364 301 1 1 . 1 1 66 66 ASN HA H 66 4.656 4.656 4.598 0.058 18364 302 1 1 . 1 1 66 66 ASN CA C 66 49.879 49.879 51.901 -2.022 18364 303 1 1 . 1 1 66 66 ASN CB C 66 36.267 36.267 40.641 -4.374 18364 304 1 1 . 1 1 66 66 ASN H H 66 9.300 9.300 8.121 1.179 18364 305 1 1 . 1 1 67 67 GLY N N 67 103.647 103.647 106.891 -3.244 18364 306 1 1 . 1 1 67 67 GLY CA C 67 43.796 43.796 44.890 -1.094 18364 307 1 1 . 1 1 67 67 GLY H H 67 8.237 8.237 8.336 -0.099 18364 308 1 1 . 1 1 69 69 ALA N N 69 121.911 121.911 121.138 0.773 18364 309 1 1 . 1 1 69 69 ALA HA H 69 4.244 4.244 4.524 -0.280 18364 310 1 1 . 1 1 69 69 ALA CA C 69 49.758 49.758 50.981 -1.223 18364 311 1 1 . 1 1 69 69 ALA CB C 69 17.376 17.376 22.592 -5.216 18364 312 1 1 . 1 1 69 69 ALA H H 69 7.677 7.677 7.344 0.333 18364 313 1 1 . 1 1 70 70 PHE N N 70 114.118 114.118 116.998 -2.880 18364 314 1 1 . 1 1 70 70 PHE HA H 70 4.965 4.965 4.931 0.034 18364 315 1 1 . 1 1 70 70 PHE CA C 70 53.129 53.129 57.547 -4.418 18364 316 1 1 . 1 1 70 70 PHE CB C 70 37.917 37.917 42.016 -4.099 18364 317 1 1 . 1 1 70 70 PHE H H 70 8.549 8.549 8.028 0.521 18364 318 1 1 . 1 1 71 71 PHE N N 71 110.252 110.252 112.275 -2.023 18364 319 1 1 . 1 1 71 71 PHE HA H 71 4.247 4.247 4.528 -0.281 18364 320 1 1 . 1 1 71 71 PHE CA C 71 54.475 54.475 55.956 -1.481 18364 321 1 1 . 1 1 71 71 PHE CB C 71 38.123 38.123 40.577 -2.454 18364 322 1 1 . 1 1 71 71 PHE H H 71 6.617 6.617 6.844 -0.227 18364 323 1 1 . 1 1 72 72 MET N N 72 118.637 118.637 118.922 -0.285 18364 324 1 1 . 1 1 72 72 MET HA H 72 4.800 4.800 4.762 0.038 18364 325 1 1 . 1 1 72 72 MET CA C 72 53.108 53.108 54.688 -1.579 18364 326 1 1 . 1 1 72 72 MET CB C 72 35.826 35.826 36.817 -0.991 18364 327 1 1 . 1 1 72 72 MET H H 72 8.162 8.162 8.416 -0.254 18364 328 1 1 . 1 1 73 73 THR N N 73 117.278 117.278 118.617 -1.339 18364 329 1 1 . 1 1 73 73 THR HA H 73 5.018 5.018 4.911 0.107 18364 330 1 1 . 1 1 73 73 THR CA C 73 58.316 58.316 61.379 -3.063 18364 331 1 1 . 1 1 73 73 THR CB C 73 69.118 69.118 71.328 -2.210 18364 332 1 1 . 1 1 73 73 THR H H 73 9.220 9.220 8.886 0.334 18364 333 1 1 . 1 1 74 74 CYS N N 74 124.101 124.101 126.753 -2.652 18364 334 1 1 . 1 1 74 74 CYS HA H 74 5.076 5.076 5.102 -0.026 18364 335 1 1 . 1 1 74 74 CYS CA C 74 54.219 54.219 58.073 -3.854 18364 336 1 1 . 1 1 74 74 CYS CB C 74 27.012 27.012 28.936 -1.924 18364 337 1 1 . 1 1 74 74 CYS H H 74 8.958 8.958 8.260 0.698 18364 338 1 1 . 1 1 75 75 ALA N N 75 132.901 132.901 129.033 3.868 18364 339 1 1 . 1 1 75 75 ALA HA H 75 4.975 4.975 5.182 -0.207 18364 340 1 1 . 1 1 75 75 ALA CA C 75 47.826 47.826 49.882 -2.056 18364 341 1 1 . 1 1 75 75 ALA CB C 75 18.111 18.111 22.045 -3.934 18364 342 1 1 . 1 1 75 75 ALA H H 75 8.834 8.834 8.239 0.595 18364 343 1 1 . 1 1 76 76 GLY N N 76 110.691 110.691 108.467 2.224 18364 344 1 1 . 1 1 76 76 GLY CA C 76 41.784 41.784 44.575 -2.791 18364 345 1 1 . 1 1 76 76 GLY H H 76 8.265 8.265 8.256 0.009 18364 346 1 1 . 1 1 77 77 SER N N 77 115.145 115.145 113.501 1.644 18364 347 1 1 . 1 1 77 77 SER HA H 77 4.980 4.980 5.553 -0.573 18364 348 1 1 . 1 1 77 77 SER CA C 77 54.022 54.022 56.686 -2.664 18364 349 1 1 . 1 1 77 77 SER CB C 77 62.987 62.987 66.992 -4.005 18364 350 1 1 . 1 1 77 77 SER H H 77 8.723 8.723 8.785 -0.062 18364 351 1 1 . 1 1 78 78 VAL N N 78 124.775 124.775 119.761 5.014 18364 352 1 1 . 1 1 78 78 VAL HA H 78 4.634 4.634 5.187 -0.553 18364 353 1 1 . 1 1 78 78 VAL CA C 78 58.437 58.437 60.697 -2.260 18364 354 1 1 . 1 1 78 78 VAL CB C 78 32.177 32.177 35.619 -3.442 18364 355 1 1 . 1 1 78 78 VAL H H 78 8.963 8.963 8.853 0.110 18364 356 1 1 . 1 1 79 79 SER N N 79 118.951 118.951 119.165 -0.214 18364 357 1 1 . 1 1 79 79 SER HA H 79 5.619 5.619 5.328 0.291 18364 358 1 1 . 1 1 79 79 SER CA C 79 53.011 53.011 56.738 -3.727 18364 359 1 1 . 1 1 79 79 SER CB C 79 64.197 64.197 66.564 -2.367 18364 360 1 1 . 1 1 79 79 SER H H 79 8.661 8.661 9.046 -0.385 18364 361 1 1 . 1 1 80 80 SER N N 80 114.750 114.750 115.203 -0.453 18364 362 1 1 . 1 1 80 80 SER HA H 80 4.439 4.439 4.687 -0.248 18364 363 1 1 . 1 1 80 80 SER CA C 80 56.198 56.198 56.589 -0.391 18364 364 1 1 . 1 1 80 80 SER CB C 80 63.490 63.490 65.043 -1.553 18364 365 1 1 . 1 1 80 80 SER H H 80 8.563 8.563 8.434 0.129 18364 366 1 1 . 1 1 81 81 ILE N N 81 120.003 120.003 118.652 1.351 18364 367 1 1 . 1 1 81 81 ILE HA H 81 4.576 4.576 4.614 -0.038 18364 368 1 1 . 1 1 81 81 ILE CA C 81 57.951 57.951 60.616 -2.665 18364 369 1 1 . 1 1 81 81 ILE CB C 81 36.011 36.011 36.954 -0.943 18364 370 1 1 . 1 1 81 81 ILE H H 81 8.366 8.366 8.598 -0.232 18364 371 1 1 . 1 1 82 82 SER N N 82 119.139 119.139 118.406 0.733 18364 372 1 1 . 1 1 82 82 SER HA H 82 4.158 4.158 4.775 -0.617 18364 373 1 1 . 1 1 82 82 SER CA C 82 56.910 56.910 56.502 0.408 18364 374 1 1 . 1 1 82 82 SER CB C 82 62.055 62.055 65.090 -3.035 18364 375 1 1 . 1 1 82 82 SER H H 82 8.204 8.204 7.524 0.680 18364 376 1 1 . 1 1 83 83 GLU N N 83 118.350 118.350 119.692 -1.342 18364 377 1 1 . 1 1 83 83 GLU HA H 83 4.133 4.133 4.345 -0.212 18364 378 1 1 . 1 1 83 83 GLU CA C 83 53.267 53.267 56.099 -2.832 18364 379 1 1 . 1 1 83 83 GLU CB C 83 27.763 27.763 30.057 -2.294 18364 380 1 1 . 1 1 83 83 GLU H H 83 8.381 8.381 8.417 -0.036 18364 381 1 1 . 1 1 84 84 ALA N N 84 121.665 121.665 122.341 -0.676 18364 382 1 1 . 1 1 84 84 ALA HA H 84 3.542 3.542 4.085 -0.543 18364 383 1 1 . 1 1 84 84 ALA CA C 84 50.621 50.621 53.335 -2.714 18364 384 1 1 . 1 1 84 84 ALA CB C 84 16.540 16.540 19.069 -2.529 18364 385 1 1 . 1 1 84 84 ALA H H 84 8.482 8.482 8.354 0.128 18364 386 1 1 . 1 1 85 85 GLY N N 85 108.356 108.356 106.375 1.981 18364 387 1 1 . 1 1 85 85 GLY CA C 85 42.955 42.955 45.473 -2.518 18364 388 1 1 . 1 1 85 85 GLY H H 85 8.078 8.078 8.630 -0.552 18364 389 1 1 . 1 1 86 86 LYS N N 86 121.491 121.491 123.546 -2.055 18364 390 1 1 . 1 1 86 86 LYS HA H 86 4.638 4.638 4.305 0.333 18364 391 1 1 . 1 1 86 86 LYS CA C 86 51.073 51.073 56.136 -5.063 18364 392 1 1 . 1 1 86 86 LYS CB C 86 29.750 29.750 32.123 -2.373 18364 393 1 1 . 1 1 86 86 LYS H H 86 8.225 8.225 8.345 -0.120 18364 394 1 1 . 1 1 87 87 ARG N N 87 121.874 121.874 123.043 -1.169 18364 395 1 1 . 1 1 87 87 ARG HA H 87 5.673 5.673 5.280 0.393 18364 396 1 1 . 1 1 87 87 ARG CA C 87 52.139 52.139 55.034 -2.895 18364 397 1 1 . 1 1 87 87 ARG CB C 87 32.163 32.163 32.892 -0.729 18364 398 1 1 . 1 1 87 87 ARG H H 87 9.979 9.979 8.616 1.363 18364 399 1 1 . 1 1 88 88 LEU N N 88 125.264 125.264 119.686 5.578 18364 400 1 1 . 1 1 88 88 LEU HA H 88 4.562 4.562 5.099 -0.537 18364 401 1 1 . 1 1 88 88 LEU CA C 88 50.284 50.284 53.779 -3.495 18364 402 1 1 . 1 1 88 88 LEU CB C 88 42.309 42.309 46.586 -4.277 18364 403 1 1 . 1 1 88 88 LEU H H 88 8.756 8.756 8.287 0.469 18364 404 1 1 . 1 1 89 89 HIS N N 89 125.453 125.453 121.203 4.250 18364 405 1 1 . 1 1 89 89 HIS HA H 89 5.188 5.188 5.235 -0.047 18364 406 1 1 . 1 1 89 89 HIS CA C 89 51.389 51.389 55.277 -3.888 18364 407 1 1 . 1 1 89 89 HIS CB C 89 27.731 27.731 34.204 -6.473 18364 408 1 1 . 1 1 89 89 HIS H H 89 8.910 8.910 8.803 0.107 18364 409 1 1 . 1 1 90 90 ILE N N 90 126.486 126.486 124.341 2.145 18364 410 1 1 . 1 1 90 90 ILE HA H 90 5.020 5.020 4.944 0.076 18364 411 1 1 . 1 1 90 90 ILE CA C 90 55.642 55.642 59.424 -3.782 18364 412 1 1 . 1 1 90 90 ILE CB C 90 38.696 38.696 42.248 -3.552 18364 413 1 1 . 1 1 90 90 ILE H H 90 8.689 8.689 8.398 0.291 18364 414 1 1 . 1 1 91 91 THR N N 91 123.200 123.200 122.555 0.645 18364 415 1 1 . 1 1 91 91 THR HA H 91 5.017 5.017 4.788 0.229 18364 416 1 1 . 1 1 91 91 THR CA C 91 58.555 58.555 61.273 -2.718 18364 417 1 1 . 1 1 91 91 THR CB C 91 68.702 68.702 70.248 -1.546 18364 418 1 1 . 1 1 91 91 THR H H 91 8.636 8.636 8.558 0.078 18364 419 1 1 . 1 1 92 92 VAL N N 92 127.071 127.071 123.855 3.216 18364 420 1 1 . 1 1 92 92 VAL HA H 92 5.018 5.018 4.965 0.053 18364 421 1 1 . 1 1 92 92 VAL CA C 92 57.969 57.969 60.990 -3.021 18364 422 1 1 . 1 1 92 92 VAL CB C 92 31.323 31.323 33.346 -2.022 18364 423 1 1 . 1 1 92 92 VAL H H 92 9.162 9.162 9.078 0.084 18364 424 1 1 . 1 1 93 93 ILE N N 93 127.095 127.095 126.080 1.015 18364 425 1 1 . 1 1 93 93 ILE HA H 93 4.461 4.461 4.964 -0.503 18364 426 1 1 . 1 1 93 93 ILE CA C 93 57.972 57.972 60.392 -2.420 18364 427 1 1 . 1 1 93 93 ILE CB C 93 38.929 38.929 41.971 -3.042 18364 428 1 1 . 1 1 93 93 ILE H H 93 9.313 9.313 9.072 0.241 18364 429 1 1 . 1 1 94 94 GLY N N 94 111.893 111.893 112.733 -0.840 18364 430 1 1 . 1 1 94 94 GLY CA C 94 41.781 41.781 43.545 -1.764 18364 431 1 1 . 1 1 94 94 GLY H H 94 8.577 8.577 8.868 -0.291 18364 432 1 1 . 1 1 95 95 TYR N N 95 123.099 123.099 121.636 1.463 18364 433 1 1 . 1 1 95 95 TYR HA H 95 5.399 5.399 5.434 -0.034 18364 434 1 1 . 1 1 95 95 TYR CA C 95 54.052 54.052 56.815 -2.763 18364 435 1 1 . 1 1 95 95 TYR CB C 95 41.285 41.285 43.649 -2.364 18364 436 1 1 . 1 1 95 95 TYR H H 95 9.640 9.640 9.349 0.291 18364 437 1 1 . 1 1 96 96 ILE N N 96 116.705 116.705 120.006 -3.301 18364 438 1 1 . 1 1 96 96 ILE HA H 96 4.208 4.208 4.572 -0.364 18364 439 1 1 . 1 1 96 96 ILE CA C 96 58.977 58.977 60.146 -1.169 18364 440 1 1 . 1 1 96 96 ILE CB C 96 37.245 37.245 41.070 -3.825 18364 441 1 1 . 1 1 96 96 ILE H H 96 8.270 8.270 8.738 -0.468 18364 442 1 1 . 1 1 97 97 ASP N N 97 130.442 130.442 126.487 3.955 18364 443 1 1 . 1 1 97 97 ASP HA H 97 4.165 4.165 4.020 0.145 18364 444 1 1 . 1 1 97 97 ASP CA C 97 53.736 53.736 57.694 -3.958 18364 445 1 1 . 1 1 97 97 ASP CB C 97 36.870 36.870 40.560 -3.690 18364 446 1 1 . 1 1 97 97 ASP H H 97 9.849 9.849 9.032 0.817 18364 447 1 1 . 1 1 98 98 ASP N N 98 114.957 114.957 119.938 -4.981 18364 448 1 1 . 1 1 98 98 ASP HA H 98 4.694 4.694 4.839 -0.145 18364 449 1 1 . 1 1 98 98 ASP CB C 98 36.266 36.266 42.302 -6.036 18364 450 1 1 . 1 1 98 98 ASP H H 98 8.355 8.355 8.234 0.121 18364 451 1 1 . 1 1 99 99 LYS N N 99 121.680 121.680 119.987 1.693 18364 452 1 1 . 1 1 99 99 LYS HA H 99 4.590 4.590 4.744 -0.154 18364 453 1 1 . 1 1 99 99 LYS CA C 99 52.354 52.354 54.790 -2.436 18364 454 1 1 . 1 1 99 99 LYS CB C 99 30.958 30.958 36.233 -5.275 18364 455 1 1 . 1 1 99 99 LYS H H 99 8.049 8.049 8.375 -0.326 18364 456 1 1 . 1 1 100 100 GLU N N 100 127.574 127.574 123.098 4.476 18364 457 1 1 . 1 1 100 100 GLU HA H 100 3.804 3.804 3.571 0.233 18364 458 1 1 . 1 1 100 100 GLU CA C 100 54.562 54.562 56.403 -1.841 18364 459 1 1 . 1 1 100 100 GLU CB C 100 26.808 26.808 29.686 -2.878 18364 460 1 1 . 1 1 100 100 GLU H H 100 8.839 8.839 8.650 0.189 18364 461 1 1 . 1 1 101 101 VAL N N 101 120.606 120.606 120.961 -0.355 18364 462 1 1 . 1 1 101 101 VAL HA H 101 4.534 4.534 4.485 0.049 18364 463 1 1 . 1 1 101 101 VAL CA C 101 58.379 58.379 61.072 -2.693 18364 464 1 1 . 1 1 101 101 VAL CB C 101 31.223 31.223 33.388 -2.165 18364 465 1 1 . 1 1 101 101 VAL H H 101 8.997 8.997 8.823 0.174 18364 466 1 1 . 1 1 102 102 ASN N N 102 118.568 118.568 118.789 -0.221 18364 467 1 1 . 1 1 102 102 ASN HA H 102 4.782 4.782 4.969 -0.187 18364 468 1 1 . 1 1 102 102 ASN CA C 102 50.154 50.154 53.502 -3.348 18364 469 1 1 . 1 1 102 102 ASN CB C 102 38.848 38.848 42.015 -3.167 18364 470 1 1 . 1 1 102 102 ASN H H 102 7.598 7.598 7.794 -0.196 18364 471 1 1 . 1 1 103 103 ARG N N 103 120.366 120.366 122.645 -2.279 18364 472 1 1 . 1 1 103 103 ARG HA H 103 5.051 5.051 5.428 -0.377 18364 473 1 1 . 1 1 103 103 ARG CA C 103 52.900 52.900 55.740 -2.840 18364 474 1 1 . 1 1 103 103 ARG CB C 103 31.710 31.710 32.906 -1.196 18364 475 1 1 . 1 1 103 103 ARG H H 103 8.155 8.155 8.426 -0.271 18364 476 1 1 . 1 1 104 104 LEU N N 104 128.859 128.859 121.850 7.009 18364 477 1 1 . 1 1 104 104 LEU HA H 104 4.553 4.553 5.051 -0.498 18364 478 1 1 . 1 1 104 104 LEU CA C 104 51.272 51.272 53.486 -2.214 18364 479 1 1 . 1 1 104 104 LEU CB C 104 43.549 43.549 46.269 -2.720 18364 480 1 1 . 1 1 104 104 LEU H H 104 9.271 9.271 8.885 0.386 18364 481 1 1 . 1 1 105 105 GLU N N 105 125.663 125.663 118.781 6.882 18364 482 1 1 . 1 1 105 105 GLU HA H 105 5.179 5.179 5.153 0.026 18364 483 1 1 . 1 1 105 105 GLU CA C 105 51.966 51.966 55.064 -3.098 18364 484 1 1 . 1 1 105 105 GLU CB C 105 29.358 29.358 32.851 -3.493 18364 485 1 1 . 1 1 105 105 GLU H H 105 8.346 8.346 8.443 -0.097 18364 486 1 1 . 1 1 106 106 LYS N N 106 123.659 123.659 120.177 3.482 18364 487 1 1 . 1 1 106 106 LYS HA H 106 4.281 4.281 4.351 -0.070 18364 488 1 1 . 1 1 106 106 LYS CA C 106 51.118 51.118 55.358 -4.240 18364 489 1 1 . 1 1 106 106 LYS CB C 106 34.761 34.761 36.352 -1.591 18364 490 1 1 . 1 1 106 106 LYS H H 106 8.526 8.526 8.285 0.241 18364 491 1 1 . 1 1 107 107 GLU N N 107 121.917 121.917 121.014 0.903 18364 492 1 1 . 1 1 107 107 GLU HA H 107 4.949 4.949 4.417 0.532 18364 493 1 1 . 1 1 107 107 GLU CA C 107 51.404 51.404 54.792 -3.388 18364 494 1 1 . 1 1 107 107 GLU CB C 107 29.906 29.906 32.065 -2.159 18364 495 1 1 . 1 1 107 107 GLU H H 107 7.773 7.773 7.928 -0.155 18364 496 1 1 . 1 1 108 108 TYR N N 108 124.981 124.981 122.702 2.279 18364 497 1 1 . 1 1 108 108 TYR HA H 108 4.720 4.720 4.825 -0.105 18364 498 1 1 . 1 1 108 108 TYR CA C 108 54.188 54.188 56.618 -2.430 18364 499 1 1 . 1 1 108 108 TYR CB C 108 39.101 39.101 42.593 -3.492 18364 500 1 1 . 1 1 108 108 TYR H H 108 9.031 9.031 8.033 0.998 18364 501 1 1 . 1 1 109 109 ILE N N 109 121.680 121.680 119.340 2.340 18364 502 1 1 . 1 1 109 109 ILE HA H 109 5.471 5.471 5.168 0.303 18364 503 1 1 . 1 1 109 109 ILE CA C 109 56.592 56.592 60.020 -3.429 18364 504 1 1 . 1 1 109 109 ILE CB C 109 38.728 38.728 42.590 -3.862 18364 505 1 1 . 1 1 109 109 ILE H H 109 8.475 8.475 8.451 0.024 18364 506 1 1 . 1 1 110 110 THR N N 110 117.537 117.537 115.476 2.061 18364 507 1 1 . 1 1 110 110 THR HA H 110 4.521 4.521 4.482 0.039 18364 508 1 1 . 1 1 110 110 THR CA C 110 59.337 59.337 62.131 -2.794 18364 509 1 1 . 1 1 110 110 THR CB C 110 67.143 67.143 69.927 -2.784 18364 510 1 1 . 1 1 110 110 THR H H 110 9.180 9.180 8.682 0.498 18364 511 1 1 . 1 1 111 111 ASP N N 111 122.428 122.428 124.025 -1.597 18364 512 1 1 . 1 1 111 111 ASP HA H 111 4.721 4.721 4.646 0.075 18364 513 1 1 . 1 1 111 111 ASP CA C 111 50.135 50.135 53.997 -3.862 18364 514 1 1 . 1 1 111 111 ASP CB C 111 39.613 39.613 40.901 -1.288 18364 515 1 1 . 1 1 111 111 ASP H H 111 9.342 9.342 8.971 0.371 18364 516 1 1 . 1 1 112 112 GLY N N 112 110.714 110.714 108.064 2.650 18364 517 1 1 . 1 1 112 112 GLY CA C 112 43.084 43.084 44.730 -1.646 18364 518 1 1 . 1 1 112 112 GLY H H 112 8.333 8.333 8.483 -0.150 18364 519 1 1 . 1 1 113 113 ASN N N 113 119.462 119.462 120.070 -0.608 18364 520 1 1 . 1 1 113 113 ASN HA H 113 4.926 4.926 4.894 0.032 18364 521 1 1 . 1 1 113 113 ASN CA C 113 49.373 49.373 53.207 -3.834 18364 522 1 1 . 1 1 113 113 ASN CB C 113 37.377 37.377 39.383 -2.006 18364 523 1 1 . 1 1 113 113 ASN H H 113 8.210 8.210 8.735 -0.525 18364 524 1 1 . 1 1 114 114 THR N N 114 117.962 117.962 115.157 2.805 18364 525 1 1 . 1 1 114 114 THR HA H 114 4.136 4.136 4.167 -0.031 18364 526 1 1 . 1 1 114 114 THR CA C 114 62.066 62.066 63.988 -1.922 18364 527 1 1 . 1 1 114 114 THR CB C 114 66.489 66.489 69.124 -2.635 18364 528 1 1 . 1 1 114 114 THR H H 114 8.436 8.436 8.273 0.163 18364 529 1 1 . 1 1 115 115 LEU N N 115 132.998 132.998 127.807 5.191 18364 530 1 1 . 1 1 115 115 LEU HA H 115 4.607 4.607 4.564 0.043 18364 531 1 1 . 1 1 115 115 LEU CA C 115 52.335 52.335 54.533 -2.198 18364 532 1 1 . 1 1 115 115 LEU CB C 115 41.546 41.546 43.577 -2.031 18364 533 1 1 . 1 1 115 115 LEU H H 115 8.789 8.789 8.365 0.424 18364 534 1 1 . 1 1 116 116 ILE N N 116 126.586 126.586 123.422 3.164 18364 535 1 1 . 1 1 116 116 ILE HA H 116 4.784 4.784 4.904 -0.120 18364 536 1 1 . 1 1 116 116 ILE CA C 116 58.270 58.270 60.051 -1.781 18364 537 1 1 . 1 1 116 116 ILE CB C 116 37.909 37.909 41.965 -4.056 18364 538 1 1 . 1 1 116 116 ILE H H 116 8.637 8.637 8.311 0.326 18364 539 1 1 . 1 1 117 117 GLU N N 117 127.084 127.084 123.821 3.263 18364 540 1 1 . 1 1 117 117 GLU HA H 117 4.830 4.830 4.830 -0.000 18364 541 1 1 . 1 1 117 117 GLU CA C 117 51.847 51.847 55.034 -3.187 18364 542 1 1 . 1 1 117 117 GLU CB C 117 32.299 32.299 34.731 -2.432 18364 543 1 1 . 1 1 117 117 GLU H H 117 8.933 8.933 8.519 0.414 18364 544 1 1 . 1 1 118 118 THR N N 118 110.826 110.826 110.869 -0.043 18364 545 1 1 . 1 1 118 118 THR HA H 118 5.190 5.190 5.453 -0.263 18364 546 1 1 . 1 1 118 118 THR CA C 118 57.036 57.036 60.351 -3.315 18364 547 1 1 . 1 1 118 118 THR CB C 118 69.888 69.888 71.591 -1.703 18364 548 1 1 . 1 1 118 118 THR H H 118 8.664 8.664 8.441 0.223 18364 549 1 1 . 1 1 119 119 PHE N N 119 115.915 115.915 118.204 -2.289 18364 550 1 1 . 1 1 119 119 PHE HA H 119 4.999 4.999 5.016 -0.017 18364 551 1 1 . 1 1 119 119 PHE CA C 119 53.804 53.804 57.422 -3.618 18364 552 1 1 . 1 1 119 119 PHE CB C 119 39.787 39.787 41.810 -2.023 18364 553 1 1 . 1 1 119 119 PHE H H 119 8.087 8.087 8.913 -0.826 18364 554 1 1 . 1 1 120 120 SER N N 120 114.953 114.953 115.050 -0.097 18364 555 1 1 . 1 1 120 120 SER HA H 120 5.383 5.383 5.158 0.225 18364 556 1 1 . 1 1 120 120 SER CA C 120 55.192 55.192 58.216 -3.024 18364 557 1 1 . 1 1 120 120 SER CB C 120 62.113 62.113 66.144 -4.031 18364 558 1 1 . 1 1 120 120 SER H H 120 8.627 8.627 8.507 0.120 18364 559 1 1 . 1 1 121 121 VAL N N 121 124.122 124.122 124.566 -0.444 18364 560 1 1 . 1 1 121 121 VAL HA H 121 4.349 4.349 4.447 -0.098 18364 561 1 1 . 1 1 121 121 VAL CA C 121 59.005 59.005 62.270 -3.265 18364 562 1 1 . 1 1 121 121 VAL CB C 121 34.127 34.127 34.432 -0.305 18364 563 1 1 . 1 1 121 121 VAL H H 121 8.866 8.866 8.620 0.246 18364 564 1 1 . 1 1 122 122 SER N N 122 119.703 119.703 121.574 -1.871 18364 565 1 1 . 1 1 122 122 SER HA H 122 5.598 5.598 5.395 0.203 18364 566 1 1 . 1 1 122 122 SER CA C 122 53.065 53.065 57.025 -3.960 18364 567 1 1 . 1 1 122 122 SER CB C 122 63.442 63.442 65.537 -2.095 18364 568 1 1 . 1 1 122 122 SER H H 122 8.334 8.334 8.587 -0.253 18364 569 1 1 . 1 1 123 123 THR N N 123 113.276 113.276 113.563 -0.287 18364 570 1 1 . 1 1 123 123 THR HA H 123 4.093 4.093 4.488 -0.395 18364 571 1 1 . 1 1 123 123 THR CA C 123 60.143 60.143 62.061 -1.918 18364 572 1 1 . 1 1 123 123 THR CB C 123 64.437 64.437 69.517 -5.080 18364 573 1 1 . 1 1 123 123 THR H H 123 8.898 8.898 9.220 -0.322 18364 574 1 1 . 1 1 124 124 LYS N N 124 119.191 119.191 119.669 -0.478 18364 575 1 1 . 1 1 124 124 LYS HA H 124 4.324 4.324 4.501 -0.177 18364 576 1 1 . 1 1 124 124 LYS CA C 124 53.486 53.486 56.327 -2.841 18364 577 1 1 . 1 1 124 124 LYS CB C 124 32.376 32.376 36.231 -3.855 18364 578 1 1 . 1 1 124 124 LYS H H 124 7.569 7.569 7.824 -0.255 18364 579 1 1 . 1 1 125 125 GLU N N 125 124.243 124.243 123.003 1.240 18364 580 1 1 . 1 1 125 125 GLU HA H 125 4.255 4.255 4.858 -0.603 18364 581 1 1 . 1 1 125 125 GLU CA C 125 53.830 53.830 55.627 -1.797 18364 582 1 1 . 1 1 125 125 GLU CB C 125 27.674 27.674 31.259 -3.585 18364 583 1 1 . 1 1 125 125 GLU H H 125 8.359 8.359 8.160 0.199 18364 584 1 2 . 1 1 2 2 ALA CA C 2 50.698 50.698 52.264 -1.566 18364 585 1 2 . 1 1 2 2 ALA CB C 2 16.688 16.688 19.508 -2.820 18364 586 1 2 . 1 1 3 3 SER N N 3 113.663 113.663 117.005 -3.342 18364 587 1 2 . 1 1 3 3 SER HA H 3 4.296 4.296 4.506 -0.210 18364 588 1 2 . 1 1 3 3 SER CA C 3 55.573 55.573 57.820 -2.247 18364 589 1 2 . 1 1 3 3 SER CB C 3 60.888 60.888 63.745 -2.857 18364 590 1 2 . 1 1 3 3 SER H H 3 8.301 8.301 8.363 -0.062 18364 591 1 2 . 1 1 4 4 ASP N N 4 121.532 121.532 125.019 -3.487 18364 592 1 2 . 1 1 4 4 ASP HA H 4 4.394 4.394 4.593 -0.199 18364 593 1 2 . 1 1 4 4 ASP CA C 4 51.748 51.748 53.216 -1.468 18364 594 1 2 . 1 1 4 4 ASP CB C 4 38.614 38.614 41.736 -3.122 18364 595 1 2 . 1 1 4 4 ASP H H 4 7.874 7.874 7.790 0.084 18364 596 1 2 . 1 1 5 5 PHE N N 5 119.126 119.126 120.515 -1.389 18364 597 1 2 . 1 1 5 5 PHE HA H 5 4.535 4.535 4.733 -0.198 18364 598 1 2 . 1 1 5 5 PHE CA C 5 54.589 54.589 57.579 -2.990 18364 599 1 2 . 1 1 5 5 PHE CB C 5 37.079 37.079 40.174 -3.095 18364 600 1 2 . 1 1 5 5 PHE H H 5 7.832 7.832 8.318 -0.486 18364 601 1 2 . 1 1 6 6 GLN N N 6 122.092 122.092 123.200 -1.108 18364 602 1 2 . 1 1 6 6 GLN HA H 6 4.417 4.417 4.820 -0.403 18364 603 1 2 . 1 1 6 6 GLN CA C 6 53.128 53.128 55.115 -1.987 18364 604 1 2 . 1 1 6 6 GLN CB C 6 27.477 27.477 30.682 -3.205 18364 605 1 2 . 1 1 6 6 GLN H H 6 8.447 8.447 8.555 -0.108 18364 606 1 2 . 1 1 7 7 THR N N 7 114.717 114.717 113.383 1.334 18364 607 1 2 . 1 1 7 7 THR HA H 7 5.035 5.035 4.657 0.378 18364 608 1 2 . 1 1 7 7 THR CA C 7 57.906 57.906 60.840 -2.934 18364 609 1 2 . 1 1 7 7 THR CB C 7 68.370 68.370 71.406 -3.036 18364 610 1 2 . 1 1 7 7 THR H H 7 8.145 8.145 8.182 -0.037 18364 611 1 2 . 1 1 8 8 GLY N N 8 111.628 111.628 108.810 2.818 18364 612 1 2 . 1 1 8 8 GLY CA C 8 43.774 43.774 45.228 -1.454 18364 613 1 2 . 1 1 8 8 GLY H H 8 9.234 9.234 8.510 0.724 18364 614 1 2 . 1 1 9 9 ILE N N 9 119.585 119.585 123.465 -3.880 18364 615 1 2 . 1 1 9 9 ILE HA H 9 3.934 3.934 4.449 -0.515 18364 616 1 2 . 1 1 9 9 ILE CA C 9 58.907 58.907 60.639 -1.732 18364 617 1 2 . 1 1 9 9 ILE CB C 9 35.738 35.738 40.020 -4.282 18364 618 1 2 . 1 1 9 9 ILE H H 9 8.603 8.603 8.255 0.348 18364 619 1 2 . 1 1 10 10 HIS N N 10 133.616 133.616 125.552 8.064 18364 620 1 2 . 1 1 10 10 HIS HA H 10 5.185 5.185 5.551 -0.366 18364 621 1 2 . 1 1 10 10 HIS CA C 10 53.587 53.587 54.299 -0.712 18364 622 1 2 . 1 1 10 10 HIS CB C 10 30.817 30.817 33.299 -2.482 18364 623 1 2 . 1 1 10 10 HIS H H 10 8.599 8.599 8.669 -0.070 18364 624 1 2 . 1 1 11 11 LYS N N 11 122.949 122.949 120.565 2.384 18364 625 1 2 . 1 1 11 11 LYS HA H 11 5.236 5.236 5.011 0.225 18364 626 1 2 . 1 1 11 11 LYS CA C 11 52.748 52.748 55.910 -3.162 18364 627 1 2 . 1 1 11 11 LYS CB C 11 35.137 35.137 36.649 -1.512 18364 628 1 2 . 1 1 11 11 LYS H H 11 8.775 8.775 8.758 0.017 18364 629 1 2 . 1 1 12 12 ILE N N 12 125.260 125.260 124.349 0.911 18364 630 1 2 . 1 1 12 12 ILE HA H 12 5.273 5.273 5.039 0.234 18364 631 1 2 . 1 1 12 12 ILE CA C 12 55.780 55.780 60.079 -4.299 18364 632 1 2 . 1 1 12 12 ILE CB C 12 38.767 38.767 40.731 -1.964 18364 633 1 2 . 1 1 12 12 ILE H H 12 8.578 8.578 8.785 -0.207 18364 634 1 2 . 1 1 13 13 VAL N N 13 126.515 126.515 127.904 -1.389 18364 635 1 2 . 1 1 13 13 VAL HA H 13 4.795 4.795 4.636 0.159 18364 636 1 2 . 1 1 13 13 VAL CA C 13 58.115 58.115 61.925 -3.810 18364 637 1 2 . 1 1 13 13 VAL CB C 13 32.948 32.948 33.355 -0.407 18364 638 1 2 . 1 1 13 13 VAL H H 13 9.052 9.052 8.689 0.363 18364 639 1 2 . 1 1 14 14 ILE N N 14 125.803 125.803 123.966 1.837 18364 640 1 2 . 1 1 14 14 ILE HA H 14 5.008 5.008 4.871 0.137 18364 641 1 2 . 1 1 14 14 ILE CA C 14 57.539 57.539 59.996 -2.457 18364 642 1 2 . 1 1 14 14 ILE CB C 14 38.656 38.656 42.528 -3.872 18364 643 1 2 . 1 1 14 14 ILE H H 14 8.974 8.974 8.802 0.172 18364 644 1 2 . 1 1 15 15 GLN N N 15 125.773 125.773 120.802 4.971 18364 645 1 2 . 1 1 15 15 GLN HA H 15 5.433 5.433 5.168 0.265 18364 646 1 2 . 1 1 15 15 GLN CA C 15 51.002 51.002 54.532 -3.530 18364 647 1 2 . 1 1 15 15 GLN CB C 15 29.637 29.637 33.449 -3.812 18364 648 1 2 . 1 1 15 15 GLN H H 15 9.244 9.244 8.805 0.439 18364 649 1 2 . 1 1 16 16 GLN N N 16 119.832 119.832 118.633 1.199 18364 650 1 2 . 1 1 16 16 GLN HA H 16 5.741 5.741 5.465 0.276 18364 651 1 2 . 1 1 16 16 GLN CA C 16 50.572 50.572 54.214 -3.642 18364 652 1 2 . 1 1 16 16 GLN CB C 16 30.039 30.039 33.350 -3.311 18364 653 1 2 . 1 1 16 16 GLN H H 16 8.964 8.964 8.495 0.469 18364 654 1 2 . 1 1 17 17 SER N N 17 115.201 115.201 115.091 0.110 18364 655 1 2 . 1 1 17 17 SER HA H 17 4.526 4.526 4.943 -0.417 18364 656 1 2 . 1 1 17 17 SER CA C 17 54.831 54.831 57.402 -2.571 18364 657 1 2 . 1 1 17 17 SER CB C 17 62.930 62.930 66.047 -3.117 18364 658 1 2 . 1 1 17 17 SER H H 17 8.770 8.770 8.797 -0.027 18364 659 1 2 . 1 1 18 18 GLY N N 18 109.321 109.321 111.225 -1.904 18364 660 1 2 . 1 1 18 18 GLY CA C 18 41.737 41.737 45.073 -3.336 18364 661 1 2 . 1 1 18 18 GLY H H 18 8.798 8.798 8.420 0.378 18364 662 1 2 . 1 1 19 19 ASP N N 19 128.121 128.121 125.191 2.930 18364 663 1 2 . 1 1 19 19 ASP HA H 19 5.071 5.071 4.857 0.214 18364 664 1 2 . 1 1 19 19 ASP CA C 19 51.251 51.251 53.240 -1.989 18364 665 1 2 . 1 1 19 19 ASP CB C 19 37.872 37.872 40.942 -3.070 18364 666 1 2 . 1 1 19 19 ASP H H 19 9.708 9.708 8.511 1.197 18364 667 1 2 . 1 1 20 20 THR N N 20 111.610 111.610 116.023 -4.413 18364 668 1 2 . 1 1 20 20 THR HA H 20 3.615 3.615 4.563 -0.948 18364 669 1 2 . 1 1 20 20 THR CA C 20 63.331 63.331 61.088 2.243 18364 670 1 2 . 1 1 20 20 THR CB C 20 64.873 64.873 69.851 -4.978 18364 671 1 2 . 1 1 20 20 THR H H 20 8.136 8.136 8.211 -0.075 18364 672 1 2 . 1 1 21 21 ASP N N 21 118.304 118.304 120.316 -2.012 18364 673 1 2 . 1 1 21 21 ASP HA H 21 4.639 4.639 4.828 -0.189 18364 674 1 2 . 1 1 21 21 ASP CA C 21 52.945 52.945 55.458 -2.513 18364 675 1 2 . 1 1 21 21 ASP CB C 21 37.785 37.785 42.185 -4.400 18364 676 1 2 . 1 1 21 21 ASP H H 21 8.566 8.566 7.875 0.691 18364 677 1 2 . 1 1 22 22 SER N N 22 114.253 114.253 113.578 0.675 18364 678 1 2 . 1 1 22 22 SER HA H 22 4.384 4.384 4.575 -0.191 18364 679 1 2 . 1 1 22 22 SER CA C 22 57.170 57.170 58.254 -1.084 18364 680 1 2 . 1 1 22 22 SER CB C 22 61.441 61.441 63.974 -2.533 18364 681 1 2 . 1 1 22 22 SER H H 22 8.076 8.076 8.176 -0.100 18364 682 1 2 . 1 1 23 23 PHE N N 23 119.853 119.853 121.545 -1.692 18364 683 1 2 . 1 1 23 23 PHE HA H 23 5.010 5.010 5.155 -0.145 18364 684 1 2 . 1 1 23 23 PHE CA C 23 53.272 53.272 55.071 -1.798 18364 685 1 2 . 1 1 23 23 PHE CB C 23 42.021 42.021 41.210 0.811 18364 686 1 2 . 1 1 23 23 PHE H H 23 7.611 7.611 7.804 -0.193 18364 687 1 2 . 1 1 24 24 GLU N N 24 119.255 119.255 129.222 -9.967 18364 688 1 2 . 1 1 24 24 GLU HA H 24 4.571 4.571 4.351 0.220 18364 689 1 2 . 1 1 24 24 GLU CA C 24 52.642 52.642 54.705 -2.063 18364 690 1 2 . 1 1 24 24 GLU CB C 24 28.881 28.881 28.444 0.437 18364 691 1 2 . 1 1 24 24 GLU H H 24 8.958 8.958 8.858 0.100 18364 692 1 2 . 1 1 25 25 VAL N N 25 130.637 130.637 125.062 5.575 18364 693 1 2 . 1 1 25 25 VAL HA H 25 4.859 4.859 4.016 0.843 18364 694 1 2 . 1 1 25 25 VAL CA C 25 58.548 58.548 62.720 -4.172 18364 695 1 2 . 1 1 25 25 VAL CB C 25 30.439 30.439 30.690 -0.251 18364 696 1 2 . 1 1 25 25 VAL H H 25 9.678 9.678 7.150 2.528 18364 697 1 2 . 1 1 26 26 SER N N 26 122.555 122.555 123.104 -0.549 18364 698 1 2 . 1 1 26 26 SER HA H 26 5.289 5.289 5.387 -0.098 18364 699 1 2 . 1 1 26 26 SER CA C 26 54.088 54.088 57.089 -3.001 18364 700 1 2 . 1 1 26 26 SER CB C 26 62.476 62.476 65.073 -2.598 18364 701 1 2 . 1 1 26 26 SER H H 26 8.883 8.883 8.050 0.833 18364 702 1 2 . 1 1 27 27 VAL N N 27 113.682 113.682 119.746 -6.064 18364 703 1 2 . 1 1 27 27 VAL HA H 27 5.269 5.269 4.569 0.700 18364 704 1 2 . 1 1 27 27 VAL CA C 27 56.005 56.005 59.177 -3.172 18364 705 1 2 . 1 1 27 27 VAL CB C 27 34.158 34.158 34.716 -0.558 18364 706 1 2 . 1 1 27 27 VAL H H 27 8.493 8.493 9.185 -0.692 18364 707 1 2 . 1 1 28 28 SER N N 28 116.852 116.852 116.559 0.293 18364 708 1 2 . 1 1 28 28 SER HA H 28 5.410 5.410 4.859 0.551 18364 709 1 2 . 1 1 28 28 SER CA C 28 54.633 54.633 56.769 -2.136 18364 710 1 2 . 1 1 28 28 SER CB C 28 62.095 62.095 64.379 -2.284 18364 711 1 2 . 1 1 28 28 SER H H 28 8.709 8.709 8.505 0.204 18364 712 1 2 . 1 1 29 29 ILE N N 29 128.765 128.765 123.418 5.347 18364 713 1 2 . 1 1 29 29 ILE HA H 29 5.224 5.224 4.531 0.693 18364 714 1 2 . 1 1 29 29 ILE CA C 29 57.247 57.247 60.053 -2.806 18364 715 1 2 . 1 1 29 29 ILE CB C 29 39.144 39.144 42.138 -2.994 18364 716 1 2 . 1 1 29 29 ILE H H 29 9.631 9.631 8.681 0.950 18364 717 1 2 . 1 1 30 30 GLY N N 30 112.478 112.478 110.847 1.631 18364 718 1 2 . 1 1 30 30 GLY CA C 30 42.140 42.140 45.261 -3.121 18364 719 1 2 . 1 1 30 30 GLY H H 30 8.095 8.095 7.828 0.267 18364 720 1 2 . 1 1 31 31 GLY N N 31 108.502 108.502 104.759 3.743 18364 721 1 2 . 1 1 31 31 GLY CA C 31 43.201 43.201 44.597 -1.396 18364 722 1 2 . 1 1 31 31 GLY H H 31 9.755 9.755 8.097 1.658 18364 723 1 2 . 1 1 32 32 ALA N N 32 122.020 122.020 119.763 2.257 18364 724 1 2 . 1 1 32 32 ALA HA H 32 4.967 4.967 5.128 -0.161 18364 725 1 2 . 1 1 32 32 ALA CA C 32 48.540 48.540 50.777 -2.237 18364 726 1 2 . 1 1 32 32 ALA CB C 32 21.078 21.078 22.845 -1.767 18364 727 1 2 . 1 1 32 32 ALA H H 32 7.338 7.338 7.353 -0.015 18364 728 1 2 . 1 1 33 33 ASP N N 33 121.217 121.217 119.762 1.455 18364 729 1 2 . 1 1 33 33 ASP HA H 33 3.680 3.680 4.361 -0.681 18364 730 1 2 . 1 1 33 33 ASP CA C 33 49.520 49.520 51.570 -2.050 18364 731 1 2 . 1 1 33 33 ASP CB C 33 40.840 40.840 44.032 -3.192 18364 732 1 2 . 1 1 33 33 ASP H H 33 8.945 8.945 8.697 0.248 18364 733 1 2 . 1 1 34 34 LYS N N 34 117.693 117.693 119.471 -1.778 18364 734 1 2 . 1 1 34 34 LYS HA H 34 4.017 4.017 4.441 -0.424 18364 735 1 2 . 1 1 34 34 LYS CA C 34 56.700 56.700 57.772 -1.072 18364 736 1 2 . 1 1 34 34 LYS CB C 34 29.772 29.772 32.685 -2.913 18364 737 1 2 . 1 1 34 34 LYS H H 34 8.200 8.200 8.015 0.185 18364 738 1 2 . 1 1 35 35 GLY N N 35 106.697 106.697 105.948 0.749 18364 739 1 2 . 1 1 35 35 GLY CA C 35 42.719 42.719 44.526 -1.807 18364 740 1 2 . 1 1 35 35 GLY H H 35 8.653 8.653 7.937 0.716 18364 741 1 2 . 1 1 36 36 GLY N N 36 110.824 110.824 109.557 1.267 18364 742 1 2 . 1 1 36 36 GLY CA C 36 41.099 41.099 44.597 -3.498 18364 743 1 2 . 1 1 36 36 GLY H H 36 7.601 7.601 7.609 -0.008 18364 744 1 2 . 1 1 37 37 PRO HA H 37 4.571 4.571 4.574 -0.003 18364 745 1 2 . 1 1 37 37 PRO CA C 37 60.012 60.012 62.526 -2.514 18364 746 1 2 . 1 1 37 37 PRO CB C 37 29.470 29.470 32.584 -3.114 18364 747 1 2 . 1 1 38 38 ALA N N 38 127.841 127.841 123.523 4.318 18364 748 1 2 . 1 1 38 38 ALA HA H 38 4.127 4.127 4.411 -0.284 18364 749 1 2 . 1 1 38 38 ALA CA C 38 48.117 48.117 50.720 -2.603 18364 750 1 2 . 1 1 38 38 ALA CB C 38 16.655 16.655 20.925 -4.270 18364 751 1 2 . 1 1 38 38 ALA H H 38 7.486 7.486 8.261 -0.775 18364 752 1 2 . 1 1 39 39 LYS N N 39 121.148 121.148 121.614 -0.466 18364 753 1 2 . 1 1 39 39 LYS HA H 39 4.115 4.115 4.607 -0.492 18364 754 1 2 . 1 1 39 39 LYS CA C 39 55.674 55.674 56.906 -1.232 18364 755 1 2 . 1 1 39 39 LYS CB C 39 31.223 31.223 32.949 -1.726 18364 756 1 2 . 1 1 39 39 LYS H H 39 8.042 8.042 8.564 -0.522 18364 757 1 2 . 1 1 40 40 LEU N N 40 118.817 118.817 120.993 -2.176 18364 758 1 2 . 1 1 40 40 LEU HA H 40 5.122 5.122 5.119 0.003 18364 759 1 2 . 1 1 40 40 LEU CA C 40 50.156 50.156 52.899 -2.743 18364 760 1 2 . 1 1 40 40 LEU CB C 40 42.172 42.172 43.193 -1.021 18364 761 1 2 . 1 1 40 40 LEU H H 40 7.901 7.901 8.617 -0.716 18364 762 1 2 . 1 1 41 41 TYR N N 41 117.843 117.843 117.949 -0.106 18364 763 1 2 . 1 1 41 41 TYR HA H 41 5.303 5.303 5.171 0.132 18364 764 1 2 . 1 1 41 41 TYR CA C 41 53.394 53.394 56.802 -3.408 18364 765 1 2 . 1 1 41 41 TYR CB C 41 39.419 39.419 42.035 -2.616 18364 766 1 2 . 1 1 41 41 TYR H H 41 9.109 9.109 9.351 -0.242 18364 767 1 2 . 1 1 42 42 ASN N N 42 117.689 117.689 119.813 -2.124 18364 768 1 2 . 1 1 42 42 ASN HA H 42 4.984 4.984 4.832 0.152 18364 769 1 2 . 1 1 42 42 ASN CA C 42 48.001 48.001 51.595 -3.594 18364 770 1 2 . 1 1 42 42 ASN CB C 42 36.514 36.514 39.320 -2.806 18364 771 1 2 . 1 1 42 42 ASN H H 42 8.239 8.239 8.909 -0.670 18364 772 1 2 . 1 1 43 43 ASP N N 43 116.760 116.760 118.695 -1.935 18364 773 1 2 . 1 1 43 43 ASP HA H 43 4.170 4.170 4.514 -0.344 18364 774 1 2 . 1 1 43 43 ASP CA C 43 53.123 53.123 55.788 -2.665 18364 775 1 2 . 1 1 43 43 ASP CB C 43 37.355 37.355 39.522 -2.167 18364 776 1 2 . 1 1 43 43 ASP H H 43 8.650 8.650 8.689 -0.039 18364 777 1 2 . 1 1 44 44 LYS N N 44 118.108 118.108 118.074 0.034 18364 778 1 2 . 1 1 44 44 LYS HA H 44 4.359 4.359 4.416 -0.057 18364 779 1 2 . 1 1 44 44 LYS CA C 44 52.676 52.676 55.988 -3.312 18364 780 1 2 . 1 1 44 44 LYS CB C 44 30.170 30.170 33.111 -2.941 18364 781 1 2 . 1 1 44 44 LYS H H 44 7.505 7.505 8.100 -0.595 18364 782 1 2 . 1 1 45 45 GLY N N 45 108.163 108.163 108.605 -0.442 18364 783 1 2 . 1 1 45 45 GLY CA C 45 42.988 42.988 45.452 -2.464 18364 784 1 2 . 1 1 45 45 GLY H H 45 8.117 8.117 8.157 -0.040 18364 785 1 2 . 1 1 46 46 GLU N N 46 120.173 120.173 120.326 -0.153 18364 786 1 2 . 1 1 46 46 GLU HA H 46 4.345 4.345 4.634 -0.289 18364 787 1 2 . 1 1 46 46 GLU CA C 46 52.409 52.409 54.478 -2.070 18364 788 1 2 . 1 1 46 46 GLU CB C 46 27.408 27.408 31.346 -3.938 18364 789 1 2 . 1 1 46 46 GLU H H 46 7.884 7.884 8.432 -0.548 18364 790 1 2 . 1 1 47 47 TYR N N 47 123.803 123.803 123.076 0.727 18364 791 1 2 . 1 1 47 47 TYR HA H 47 4.351 4.351 4.397 -0.046 18364 792 1 2 . 1 1 47 47 TYR CA C 47 54.317 54.317 56.414 -2.097 18364 793 1 2 . 1 1 47 47 TYR CB C 47 35.858 35.858 39.418 -3.560 18364 794 1 2 . 1 1 47 47 TYR H H 47 8.710 8.710 8.714 -0.004 18364 795 1 2 . 1 1 48 48 ILE N N 48 123.458 123.458 115.566 7.892 18364 796 1 2 . 1 1 48 48 ILE HA H 48 4.173 4.173 4.170 0.003 18364 797 1 2 . 1 1 48 48 ILE CA C 48 58.314 58.314 60.133 -1.819 18364 798 1 2 . 1 1 48 48 ILE CB C 48 36.129 36.129 39.000 -2.871 18364 799 1 2 . 1 1 48 48 ILE H H 48 8.416 8.416 8.062 0.354 18364 800 1 2 . 1 1 49 49 GLY N N 49 107.257 107.257 109.523 -2.266 18364 801 1 2 . 1 1 49 49 GLY CA C 49 41.367 41.367 45.070 -3.703 18364 802 1 2 . 1 1 49 49 GLY H H 49 5.472 5.472 7.446 -1.974 18364 803 1 2 . 1 1 50 50 ASP N N 50 116.887 116.887 115.141 1.746 18364 804 1 2 . 1 1 50 50 ASP HA H 50 5.043 5.043 5.043 -0.000 18364 805 1 2 . 1 1 50 50 ASP CA C 50 50.588 50.588 53.550 -2.962 18364 806 1 2 . 1 1 50 50 ASP CB C 50 37.448 37.448 42.643 -5.195 18364 807 1 2 . 1 1 50 50 ASP H H 50 8.234 8.234 8.542 -0.308 18364 808 1 2 . 1 1 51 51 SER N N 51 112.664 112.664 113.706 -1.042 18364 809 1 2 . 1 1 51 51 SER HA H 51 4.439 4.439 4.884 -0.445 18364 810 1 2 . 1 1 51 51 SER CA C 51 55.489 55.489 58.102 -2.613 18364 811 1 2 . 1 1 51 51 SER CB C 51 61.559 61.559 65.844 -4.285 18364 812 1 2 . 1 1 51 51 SER H H 51 7.689 7.689 7.640 0.049 18364 813 1 2 . 1 1 52 52 TYR N N 52 122.672 122.672 120.910 1.762 18364 814 1 2 . 1 1 52 52 TYR HA H 52 4.732 4.732 4.781 -0.049 18364 815 1 2 . 1 1 52 52 TYR CA C 52 55.168 55.168 57.604 -2.436 18364 816 1 2 . 1 1 52 52 TYR CB C 52 38.599 38.599 38.879 -0.280 18364 817 1 2 . 1 1 52 52 TYR H H 52 8.231 8.231 8.038 0.193 18364 818 1 2 . 1 1 53 53 SER N N 53 123.803 123.803 116.924 6.879 18364 819 1 2 . 1 1 53 53 SER HA H 53 5.429 5.429 5.354 0.075 18364 820 1 2 . 1 1 53 53 SER CA C 53 53.508 53.508 57.551 -4.043 18364 821 1 2 . 1 1 53 53 SER CB C 53 61.674 61.674 65.021 -3.347 18364 822 1 2 . 1 1 53 53 SER H H 53 8.008 8.008 8.724 -0.716 18364 823 1 2 . 1 1 54 54 ALA N N 54 125.516 125.516 125.997 -0.481 18364 824 1 2 . 1 1 54 54 ALA HA H 54 4.289 4.289 4.744 -0.455 18364 825 1 2 . 1 1 54 54 ALA CA C 54 49.097 49.097 50.879 -1.782 18364 826 1 2 . 1 1 54 54 ALA CB C 54 20.259 20.259 22.367 -2.108 18364 827 1 2 . 1 1 54 54 ALA H H 54 8.089 8.089 9.084 -0.995 18364 828 1 2 . 1 1 55 55 GLN N N 55 118.838 118.838 120.716 -1.878 18364 829 1 2 . 1 1 55 55 GLN HA H 55 4.975 4.975 5.290 -0.316 18364 830 1 2 . 1 1 55 55 GLN CA C 55 52.306 52.306 53.509 -1.203 18364 831 1 2 . 1 1 55 55 GLN CB C 55 26.138 26.138 31.494 -5.356 18364 832 1 2 . 1 1 55 55 GLN H H 55 8.100 8.100 8.562 -0.462 18364 833 1 2 . 1 1 56 56 ILE N N 56 124.748 124.748 127.819 -3.071 18364 834 1 2 . 1 1 56 56 ILE HA H 56 4.246 4.246 4.089 0.157 18364 835 1 2 . 1 1 56 56 ILE CA C 56 57.529 57.529 60.283 -2.754 18364 836 1 2 . 1 1 56 56 ILE CB C 56 34.915 34.915 35.186 -0.271 18364 837 1 2 . 1 1 56 56 ILE H H 56 8.910 8.910 8.537 0.373 18364 838 1 2 . 1 1 57 57 ARG N N 57 127.183 127.183 125.077 2.106 18364 839 1 2 . 1 1 57 57 ARG HA H 57 4.777 4.777 4.472 0.305 18364 840 1 2 . 1 1 57 57 ARG CA C 57 52.455 52.455 54.799 -2.344 18364 841 1 2 . 1 1 57 57 ARG CB C 57 28.839 28.839 30.306 -1.467 18364 842 1 2 . 1 1 57 57 ARG H H 57 8.979 8.979 8.073 0.905 18364 843 1 2 . 1 1 58 58 THR N N 58 109.995 109.995 109.970 0.025 18364 844 1 2 . 1 1 58 58 THR HA H 58 4.529 4.529 4.530 -0.001 18364 845 1 2 . 1 1 58 58 THR CA C 58 57.124 57.124 60.136 -3.012 18364 846 1 2 . 1 1 58 58 THR CB C 58 68.143 68.143 71.151 -3.008 18364 847 1 2 . 1 1 58 58 THR H H 58 7.150 7.150 7.295 -0.145 18364 848 1 2 . 1 1 59 59 ALA N N 59 123.143 123.143 122.039 1.104 18364 849 1 2 . 1 1 59 59 ALA HA H 59 4.167 4.167 4.233 -0.066 18364 850 1 2 . 1 1 59 59 ALA CA C 59 52.603 52.603 53.886 -1.283 18364 851 1 2 . 1 1 59 59 ALA CB C 59 16.910 16.910 19.279 -2.369 18364 852 1 2 . 1 1 59 59 ALA H H 59 8.531 8.531 8.442 0.089 18364 853 1 2 . 1 1 60 60 THR N N 60 105.988 105.988 107.608 -1.620 18364 854 1 2 . 1 1 60 60 THR HA H 60 5.471 5.471 5.248 0.223 18364 855 1 2 . 1 1 60 60 THR CA C 60 56.904 56.904 60.567 -3.663 18364 856 1 2 . 1 1 60 60 THR CB C 60 69.111 69.111 71.411 -2.300 18364 857 1 2 . 1 1 60 60 THR H H 60 7.521 7.521 7.583 -0.062 18364 858 1 2 . 1 1 61 61 MET N N 61 124.706 124.706 122.574 2.132 18364 859 1 2 . 1 1 61 61 MET HA H 61 4.641 4.641 4.970 -0.329 18364 860 1 2 . 1 1 61 61 MET CA C 61 52.883 52.883 53.982 -1.099 18364 861 1 2 . 1 1 61 61 MET CB C 61 32.345 32.345 37.031 -4.686 18364 862 1 2 . 1 1 61 61 MET H H 61 8.758 8.758 9.233 -0.475 18364 863 1 2 . 1 1 62 62 SER N N 62 117.004 117.004 116.792 0.212 18364 864 1 2 . 1 1 62 62 SER HA H 62 5.551 5.551 5.173 0.378 18364 865 1 2 . 1 1 62 62 SER CA C 62 54.255 54.255 58.046 -3.791 18364 866 1 2 . 1 1 62 62 SER CB C 62 64.130 64.130 65.296 -1.167 18364 867 1 2 . 1 1 62 62 SER H H 62 8.164 8.164 8.584 -0.420 18364 868 1 2 . 1 1 63 63 CYS N N 63 120.270 120.270 121.385 -1.115 18364 869 1 2 . 1 1 63 63 CYS HA H 63 5.075 5.075 5.242 -0.167 18364 870 1 2 . 1 1 63 63 CYS CA C 63 54.676 54.676 57.472 -2.796 18364 871 1 2 . 1 1 63 63 CYS CB C 63 28.679 28.679 32.566 -3.887 18364 872 1 2 . 1 1 63 63 CYS H H 63 8.537 8.537 8.491 0.046 18364 873 1 2 . 1 1 64 64 CYS N N 64 120.868 120.868 118.506 2.362 18364 874 1 2 . 1 1 64 64 CYS HA H 64 5.918 5.918 5.607 0.311 18364 875 1 2 . 1 1 64 64 CYS CA C 64 53.204 53.204 56.316 -3.112 18364 876 1 2 . 1 1 64 64 CYS CB C 64 30.216 30.216 31.710 -1.494 18364 877 1 2 . 1 1 64 64 CYS H H 64 9.307 9.307 8.797 0.510 18364 878 1 2 . 1 1 65 65 THR N N 65 109.830 109.830 111.732 -1.902 18364 879 1 2 . 1 1 65 65 THR HA H 65 5.426 5.426 5.213 0.213 18364 880 1 2 . 1 1 65 65 THR CA C 65 58.465 58.465 60.137 -1.672 18364 881 1 2 . 1 1 65 65 THR CB C 65 69.665 69.665 71.497 -1.832 18364 882 1 2 . 1 1 65 65 THR H H 65 8.447 8.447 8.319 0.128 18364 883 1 2 . 1 1 66 66 ASN N N 66 114.459 114.459 118.438 -3.979 18364 884 1 2 . 1 1 66 66 ASN HA H 66 4.656 4.656 4.627 0.029 18364 885 1 2 . 1 1 66 66 ASN CA C 66 49.879 49.879 51.184 -1.305 18364 886 1 2 . 1 1 66 66 ASN CB C 66 36.267 36.267 38.732 -2.465 18364 887 1 2 . 1 1 66 66 ASN H H 66 9.300 9.300 8.609 0.691 18364 888 1 2 . 1 1 67 67 GLY N N 67 103.647 103.647 103.116 0.531 18364 889 1 2 . 1 1 67 67 GLY CA C 67 43.796 43.796 45.058 -1.262 18364 890 1 2 . 1 1 67 67 GLY H H 67 8.237 8.237 8.588 -0.351 18364 891 1 2 . 1 1 69 69 ALA N N 69 121.911 121.911 120.922 0.989 18364 892 1 2 . 1 1 69 69 ALA HA H 69 4.244 4.244 4.237 0.007 18364 893 1 2 . 1 1 69 69 ALA CA C 69 49.758 49.758 51.716 -1.958 18364 894 1 2 . 1 1 69 69 ALA CB C 69 17.376 17.376 20.858 -3.482 18364 895 1 2 . 1 1 69 69 ALA H H 69 7.677 7.677 7.192 0.485 18364 896 1 2 . 1 1 70 70 PHE N N 70 114.118 114.118 116.302 -2.184 18364 897 1 2 . 1 1 70 70 PHE HA H 70 4.965 4.965 4.992 -0.027 18364 898 1 2 . 1 1 70 70 PHE CA C 70 53.129 53.129 56.949 -3.820 18364 899 1 2 . 1 1 70 70 PHE CB C 70 37.917 37.917 42.835 -4.918 18364 900 1 2 . 1 1 70 70 PHE H H 70 8.549 8.549 8.638 -0.089 18364 901 1 2 . 1 1 71 71 PHE N N 71 110.252 110.252 114.070 -3.818 18364 902 1 2 . 1 1 71 71 PHE HA H 71 4.247 4.247 4.441 -0.194 18364 903 1 2 . 1 1 71 71 PHE CA C 71 54.475 54.475 56.094 -1.619 18364 904 1 2 . 1 1 71 71 PHE CB C 71 38.123 38.123 40.767 -2.644 18364 905 1 2 . 1 1 71 71 PHE H H 71 6.617 6.617 7.112 -0.495 18364 906 1 2 . 1 1 72 72 MET N N 72 118.637 118.637 118.633 0.004 18364 907 1 2 . 1 1 72 72 MET HA H 72 4.800 4.800 5.122 -0.322 18364 908 1 2 . 1 1 72 72 MET CA C 72 53.108 53.108 54.056 -0.948 18364 909 1 2 . 1 1 72 72 MET CB C 72 35.826 35.826 37.392 -1.567 18364 910 1 2 . 1 1 72 72 MET H H 72 8.162 8.162 8.522 -0.360 18364 911 1 2 . 1 1 73 73 THR N N 73 117.278 117.278 114.233 3.045 18364 912 1 2 . 1 1 73 73 THR HA H 73 5.018 5.018 4.899 0.119 18364 913 1 2 . 1 1 73 73 THR CA C 73 58.316 58.316 60.516 -2.200 18364 914 1 2 . 1 1 73 73 THR CB C 73 69.118 69.118 71.308 -2.190 18364 915 1 2 . 1 1 73 73 THR H H 73 9.220 9.220 8.766 0.454 18364 916 1 2 . 1 1 74 74 CYS N N 74 124.101 124.101 119.312 4.789 18364 917 1 2 . 1 1 74 74 CYS HA H 74 5.076 5.076 4.815 0.261 18364 918 1 2 . 1 1 74 74 CYS CA C 74 54.219 54.219 58.645 -4.426 18364 919 1 2 . 1 1 74 74 CYS CB C 74 27.012 27.012 27.986 -0.975 18364 920 1 2 . 1 1 74 74 CYS H H 74 8.958 8.958 8.312 0.646 18364 921 1 2 . 1 1 75 75 ALA N N 75 132.901 132.901 123.184 9.717 18364 922 1 2 . 1 1 75 75 ALA HA H 75 4.975 4.975 4.220 0.755 18364 923 1 2 . 1 1 75 75 ALA CA C 75 47.826 47.826 52.599 -4.774 18364 924 1 2 . 1 1 75 75 ALA CB C 75 18.111 18.111 19.371 -1.260 18364 925 1 2 . 1 1 75 75 ALA H H 75 8.834 8.834 7.859 0.975 18364 926 1 2 . 1 1 76 76 GLY N N 76 110.691 110.691 108.813 1.878 18364 927 1 2 . 1 1 76 76 GLY CA C 76 41.784 41.784 44.141 -2.357 18364 928 1 2 . 1 1 76 76 GLY H H 76 8.265 8.265 7.989 0.276 18364 929 1 2 . 1 1 77 77 SER N N 77 115.145 115.145 113.208 1.937 18364 930 1 2 . 1 1 77 77 SER HA H 77 4.980 4.980 5.140 -0.160 18364 931 1 2 . 1 1 77 77 SER CA C 77 54.022 54.022 56.900 -2.878 18364 932 1 2 . 1 1 77 77 SER CB C 77 62.987 62.987 66.609 -3.622 18364 933 1 2 . 1 1 77 77 SER H H 77 8.723 8.723 8.642 0.081 18364 934 1 2 . 1 1 78 78 VAL N N 78 124.775 124.775 121.466 3.309 18364 935 1 2 . 1 1 78 78 VAL HA H 78 4.634 4.634 4.759 -0.125 18364 936 1 2 . 1 1 78 78 VAL CA C 78 58.437 58.437 60.892 -2.455 18364 937 1 2 . 1 1 78 78 VAL CB C 78 32.177 32.177 34.065 -1.887 18364 938 1 2 . 1 1 78 78 VAL H H 78 8.963 8.963 8.939 0.024 18364 939 1 2 . 1 1 79 79 SER N N 79 118.951 118.951 122.054 -3.103 18364 940 1 2 . 1 1 79 79 SER HA H 79 5.619 5.619 5.126 0.493 18364 941 1 2 . 1 1 79 79 SER CA C 79 53.011 53.011 57.345 -4.334 18364 942 1 2 . 1 1 79 79 SER CB C 79 64.197 64.197 65.738 -1.541 18364 943 1 2 . 1 1 79 79 SER H H 79 8.661 8.661 8.667 -0.006 18364 944 1 2 . 1 1 80 80 SER N N 80 114.750 114.750 118.570 -3.820 18364 945 1 2 . 1 1 80 80 SER HA H 80 4.439 4.439 5.186 -0.747 18364 946 1 2 . 1 1 80 80 SER CA C 80 56.198 56.198 55.598 0.600 18364 947 1 2 . 1 1 80 80 SER CB C 80 63.490 63.490 65.060 -1.570 18364 948 1 2 . 1 1 80 80 SER H H 80 8.563 8.563 8.499 0.064 18364 949 1 2 . 1 1 81 81 ILE N N 81 120.003 120.003 121.401 -1.398 18364 950 1 2 . 1 1 81 81 ILE HA H 81 4.576 4.576 4.599 -0.023 18364 951 1 2 . 1 1 81 81 ILE CA C 81 57.951 57.951 59.983 -2.032 18364 952 1 2 . 1 1 81 81 ILE CB C 81 36.011 36.011 37.845 -1.834 18364 953 1 2 . 1 1 81 81 ILE H H 81 8.366 8.366 8.586 -0.220 18364 954 1 2 . 1 1 82 82 SER N N 82 119.139 119.139 116.859 2.280 18364 955 1 2 . 1 1 82 82 SER HA H 82 4.158 4.158 4.485 -0.327 18364 956 1 2 . 1 1 82 82 SER CA C 82 56.910 56.910 58.293 -1.383 18364 957 1 2 . 1 1 82 82 SER CB C 82 62.055 62.055 65.193 -3.138 18364 958 1 2 . 1 1 82 82 SER H H 82 8.204 8.204 7.766 0.438 18364 959 1 2 . 1 1 83 83 GLU N N 83 118.350 118.350 120.144 -1.794 18364 960 1 2 . 1 1 83 83 GLU HA H 83 4.133 4.133 4.334 -0.201 18364 961 1 2 . 1 1 83 83 GLU CA C 83 53.267 53.267 56.093 -2.826 18364 962 1 2 . 1 1 83 83 GLU CB C 83 27.763 27.763 30.207 -2.444 18364 963 1 2 . 1 1 83 83 GLU H H 83 8.381 8.381 8.638 -0.257 18364 964 1 2 . 1 1 84 84 ALA N N 84 121.665 121.665 122.800 -1.135 18364 965 1 2 . 1 1 84 84 ALA HA H 84 3.542 3.542 4.034 -0.492 18364 966 1 2 . 1 1 84 84 ALA CA C 84 50.621 50.621 53.496 -2.875 18364 967 1 2 . 1 1 84 84 ALA CB C 84 16.540 16.540 18.778 -2.238 18364 968 1 2 . 1 1 84 84 ALA H H 84 8.482 8.482 8.322 0.160 18364 969 1 2 . 1 1 85 85 GLY N N 85 108.356 108.356 108.866 -0.510 18364 970 1 2 . 1 1 85 85 GLY CA C 85 42.955 42.955 45.379 -2.424 18364 971 1 2 . 1 1 85 85 GLY H H 85 8.078 8.078 8.614 -0.536 18364 972 1 2 . 1 1 86 86 LYS N N 86 121.491 121.491 121.019 0.472 18364 973 1 2 . 1 1 86 86 LYS HA H 86 4.638 4.638 4.285 0.353 18364 974 1 2 . 1 1 86 86 LYS CA C 86 51.073 51.073 55.901 -4.828 18364 975 1 2 . 1 1 86 86 LYS CB C 86 29.750 29.750 33.116 -3.366 18364 976 1 2 . 1 1 86 86 LYS H H 86 8.225 8.225 8.158 0.067 18364 977 1 2 . 1 1 87 87 ARG N N 87 121.874 121.874 117.502 4.372 18364 978 1 2 . 1 1 87 87 ARG HA H 87 5.673 5.673 5.253 0.420 18364 979 1 2 . 1 1 87 87 ARG CA C 87 52.139 52.139 55.023 -2.884 18364 980 1 2 . 1 1 87 87 ARG CB C 87 32.163 32.163 34.118 -1.955 18364 981 1 2 . 1 1 87 87 ARG H H 87 9.979 9.979 8.356 1.623 18364 982 1 2 . 1 1 88 88 LEU N N 88 125.264 125.264 119.303 5.961 18364 983 1 2 . 1 1 88 88 LEU HA H 88 4.562 4.562 5.385 -0.823 18364 984 1 2 . 1 1 88 88 LEU CA C 88 50.284 50.284 54.732 -4.448 18364 985 1 2 . 1 1 88 88 LEU CB C 88 42.309 42.309 47.207 -4.898 18364 986 1 2 . 1 1 88 88 LEU H H 88 8.756 8.756 8.540 0.216 18364 987 1 2 . 1 1 89 89 HIS N N 89 125.453 125.453 123.049 2.404 18364 988 1 2 . 1 1 89 89 HIS HA H 89 5.188 5.188 5.245 -0.057 18364 989 1 2 . 1 1 89 89 HIS CA C 89 51.389 51.389 55.086 -3.697 18364 990 1 2 . 1 1 89 89 HIS CB C 89 27.731 27.731 32.864 -5.133 18364 991 1 2 . 1 1 89 89 HIS H H 89 8.910 8.910 8.729 0.181 18364 992 1 2 . 1 1 90 90 ILE N N 90 126.486 126.486 128.108 -1.622 18364 993 1 2 . 1 1 90 90 ILE HA H 90 5.020 5.020 4.789 0.231 18364 994 1 2 . 1 1 90 90 ILE CA C 90 55.642 55.642 60.173 -4.531 18364 995 1 2 . 1 1 90 90 ILE CB C 90 38.696 38.696 40.719 -2.023 18364 996 1 2 . 1 1 90 90 ILE H H 90 8.689 8.689 8.056 0.633 18364 997 1 2 . 1 1 91 91 THR N N 91 123.200 123.200 122.145 1.055 18364 998 1 2 . 1 1 91 91 THR HA H 91 5.017 5.017 4.741 0.276 18364 999 1 2 . 1 1 91 91 THR CA C 91 58.555 58.555 61.561 -3.006 18364 1000 1 2 . 1 1 91 91 THR CB C 91 68.702 68.702 70.512 -1.810 18364 1001 1 2 . 1 1 91 91 THR H H 91 8.636 8.636 8.616 0.020 18364 1002 1 2 . 1 1 92 92 VAL N N 92 127.071 127.071 123.357 3.714 18364 1003 1 2 . 1 1 92 92 VAL HA H 92 5.018 5.018 4.708 0.310 18364 1004 1 2 . 1 1 92 92 VAL CA C 92 57.969 57.969 61.261 -3.292 18364 1005 1 2 . 1 1 92 92 VAL CB C 92 31.323 31.323 33.185 -1.862 18364 1006 1 2 . 1 1 92 92 VAL H H 92 9.162 9.162 9.022 0.140 18364 1007 1 2 . 1 1 93 93 ILE N N 93 127.095 127.095 126.287 0.808 18364 1008 1 2 . 1 1 93 93 ILE HA H 93 4.461 4.461 4.923 -0.462 18364 1009 1 2 . 1 1 93 93 ILE CA C 93 57.972 57.972 59.696 -1.724 18364 1010 1 2 . 1 1 93 93 ILE CB C 93 38.929 38.929 41.801 -2.872 18364 1011 1 2 . 1 1 93 93 ILE H H 93 9.313 9.313 7.935 1.378 18364 1012 1 2 . 1 1 94 94 GLY N N 94 111.893 111.893 111.535 0.358 18364 1013 1 2 . 1 1 94 94 GLY CA C 94 41.781 41.781 43.607 -1.826 18364 1014 1 2 . 1 1 94 94 GLY H H 94 8.577 8.577 8.580 -0.003 18364 1015 1 2 . 1 1 95 95 TYR N N 95 123.099 123.099 118.506 4.593 18364 1016 1 2 . 1 1 95 95 TYR HA H 95 5.399 5.399 5.463 -0.064 18364 1017 1 2 . 1 1 95 95 TYR CA C 95 54.052 54.052 56.672 -2.619 18364 1018 1 2 . 1 1 95 95 TYR CB C 95 41.285 41.285 43.693 -2.408 18364 1019 1 2 . 1 1 95 95 TYR H H 95 9.640 9.640 9.188 0.452 18364 1020 1 2 . 1 1 96 96 ILE N N 96 116.705 116.705 120.115 -3.410 18364 1021 1 2 . 1 1 96 96 ILE HA H 96 4.208 4.208 4.484 -0.276 18364 1022 1 2 . 1 1 96 96 ILE CA C 96 58.977 58.977 60.714 -1.737 18364 1023 1 2 . 1 1 96 96 ILE CB C 96 37.245 37.245 41.806 -4.561 18364 1024 1 2 . 1 1 96 96 ILE H H 96 8.270 8.270 8.721 -0.451 18364 1025 1 2 . 1 1 97 97 ASP N N 97 130.442 130.442 130.113 0.329 18364 1026 1 2 . 1 1 97 97 ASP HA H 97 4.165 4.165 4.174 -0.009 18364 1027 1 2 . 1 1 97 97 ASP CA C 97 53.736 53.736 55.600 -1.864 18364 1028 1 2 . 1 1 97 97 ASP CB C 97 36.870 36.870 40.207 -3.337 18364 1029 1 2 . 1 1 97 97 ASP H H 97 9.849 9.849 8.969 0.880 18364 1030 1 2 . 1 1 98 98 ASP N N 98 114.957 114.957 114.785 0.172 18364 1031 1 2 . 1 1 98 98 ASP HA H 98 4.694 4.694 4.261 0.433 18364 1032 1 2 . 1 1 98 98 ASP CB C 98 36.266 36.266 40.742 -4.476 18364 1033 1 2 . 1 1 98 98 ASP H H 98 8.355 8.355 8.637 -0.282 18364 1034 1 2 . 1 1 99 99 LYS N N 99 121.680 121.680 117.785 3.895 18364 1035 1 2 . 1 1 99 99 LYS HA H 99 4.590 4.590 4.664 -0.074 18364 1036 1 2 . 1 1 99 99 LYS CA C 99 52.354 52.354 54.990 -2.636 18364 1037 1 2 . 1 1 99 99 LYS CB C 99 30.958 30.958 36.286 -5.328 18364 1038 1 2 . 1 1 99 99 LYS H H 99 8.049 8.049 7.805 0.244 18364 1039 1 2 . 1 1 100 100 GLU N N 100 127.574 127.574 121.085 6.489 18364 1040 1 2 . 1 1 100 100 GLU HA H 100 3.804 3.804 4.390 -0.586 18364 1041 1 2 . 1 1 100 100 GLU CA C 100 54.562 54.562 56.353 -1.792 18364 1042 1 2 . 1 1 100 100 GLU CB C 100 26.808 26.808 30.450 -3.642 18364 1043 1 2 . 1 1 100 100 GLU H H 100 8.839 8.839 8.699 0.140 18364 1044 1 2 . 1 1 101 101 VAL N N 101 120.606 120.606 121.521 -0.915 18364 1045 1 2 . 1 1 101 101 VAL HA H 101 4.534 4.534 4.458 0.076 18364 1046 1 2 . 1 1 101 101 VAL CA C 101 58.379 58.379 61.831 -3.452 18364 1047 1 2 . 1 1 101 101 VAL CB C 101 31.223 31.223 33.378 -2.155 18364 1048 1 2 . 1 1 101 101 VAL H H 101 8.997 8.997 8.663 0.334 18364 1049 1 2 . 1 1 102 102 ASN N N 102 118.568 118.568 118.810 -0.242 18364 1050 1 2 . 1 1 102 102 ASN HA H 102 4.782 4.782 4.940 -0.158 18364 1051 1 2 . 1 1 102 102 ASN CA C 102 50.154 50.154 53.028 -2.873 18364 1052 1 2 . 1 1 102 102 ASN CB C 102 38.848 38.848 41.958 -3.110 18364 1053 1 2 . 1 1 102 102 ASN H H 102 7.598 7.598 7.595 0.003 18364 1054 1 2 . 1 1 103 103 ARG N N 103 120.366 120.366 120.182 0.184 18364 1055 1 2 . 1 1 103 103 ARG HA H 103 5.051 5.051 5.242 -0.191 18364 1056 1 2 . 1 1 103 103 ARG CA C 103 52.900 52.900 55.204 -2.304 18364 1057 1 2 . 1 1 103 103 ARG CB C 103 31.710 31.710 32.554 -0.844 18364 1058 1 2 . 1 1 103 103 ARG H H 103 8.155 8.155 8.413 -0.258 18364 1059 1 2 . 1 1 104 104 LEU N N 104 128.859 128.859 119.694 9.165 18364 1060 1 2 . 1 1 104 104 LEU HA H 104 4.553 4.553 5.033 -0.480 18364 1061 1 2 . 1 1 104 104 LEU CA C 104 51.272 51.272 53.600 -2.328 18364 1062 1 2 . 1 1 104 104 LEU CB C 104 43.549 43.549 45.742 -2.193 18364 1063 1 2 . 1 1 104 104 LEU H H 104 9.271 9.271 8.847 0.424 18364 1064 1 2 . 1 1 105 105 GLU N N 105 125.663 125.663 118.236 7.427 18364 1065 1 2 . 1 1 105 105 GLU HA H 105 5.179 5.179 5.217 -0.038 18364 1066 1 2 . 1 1 105 105 GLU CA C 105 51.966 51.966 55.002 -3.036 18364 1067 1 2 . 1 1 105 105 GLU CB C 105 29.358 29.358 32.986 -3.628 18364 1068 1 2 . 1 1 105 105 GLU H H 105 8.346 8.346 8.401 -0.055 18364 1069 1 2 . 1 1 106 106 LYS N N 106 123.659 123.659 119.402 4.257 18364 1070 1 2 . 1 1 106 106 LYS HA H 106 4.281 4.281 4.405 -0.124 18364 1071 1 2 . 1 1 106 106 LYS CA C 106 51.118 51.118 54.909 -3.791 18364 1072 1 2 . 1 1 106 106 LYS CB C 106 34.761 34.761 36.145 -1.384 18364 1073 1 2 . 1 1 106 106 LYS H H 106 8.526 8.526 8.226 0.300 18364 1074 1 2 . 1 1 107 107 GLU N N 107 121.917 121.917 121.235 0.682 18364 1075 1 2 . 1 1 107 107 GLU HA H 107 4.949 4.949 4.745 0.204 18364 1076 1 2 . 1 1 107 107 GLU CA C 107 51.404 51.404 54.795 -3.391 18364 1077 1 2 . 1 1 107 107 GLU CB C 107 29.906 29.906 31.826 -1.920 18364 1078 1 2 . 1 1 107 107 GLU H H 107 7.773 7.773 8.057 -0.284 18364 1079 1 2 . 1 1 108 108 TYR N N 108 124.981 124.981 123.244 1.737 18364 1080 1 2 . 1 1 108 108 TYR HA H 108 4.720 4.720 4.734 -0.014 18364 1081 1 2 . 1 1 108 108 TYR CA C 108 54.188 54.188 56.456 -2.268 18364 1082 1 2 . 1 1 108 108 TYR CB C 108 39.101 39.101 42.037 -2.936 18364 1083 1 2 . 1 1 108 108 TYR H H 108 9.031 9.031 8.262 0.769 18364 1084 1 2 . 1 1 109 109 ILE N N 109 121.680 121.680 119.518 2.162 18364 1085 1 2 . 1 1 109 109 ILE HA H 109 5.471 5.471 4.793 0.678 18364 1086 1 2 . 1 1 109 109 ILE CA C 109 56.592 56.592 60.087 -3.495 18364 1087 1 2 . 1 1 109 109 ILE CB C 109 38.728 38.728 42.496 -3.768 18364 1088 1 2 . 1 1 109 109 ILE H H 109 8.475 8.475 8.474 0.001 18364 1089 1 2 . 1 1 110 110 THR N N 110 117.537 117.537 116.348 1.189 18364 1090 1 2 . 1 1 110 110 THR HA H 110 4.521 4.521 4.548 -0.027 18364 1091 1 2 . 1 1 110 110 THR CA C 110 59.337 59.337 60.721 -1.384 18364 1092 1 2 . 1 1 110 110 THR CB C 110 67.143 67.143 70.292 -3.149 18364 1093 1 2 . 1 1 110 110 THR H H 110 9.180 9.180 8.400 0.780 18364 1094 1 2 . 1 1 111 111 ASP N N 111 122.428 122.428 125.195 -2.767 18364 1095 1 2 . 1 1 111 111 ASP HA H 111 4.721 4.721 4.706 0.015 18364 1096 1 2 . 1 1 111 111 ASP CA C 111 50.135 50.135 54.422 -4.287 18364 1097 1 2 . 1 1 111 111 ASP CB C 111 39.613 39.613 41.489 -1.876 18364 1098 1 2 . 1 1 111 111 ASP H H 111 9.342 9.342 8.810 0.532 18364 1099 1 2 . 1 1 112 112 GLY N N 112 110.714 110.714 107.577 3.137 18364 1100 1 2 . 1 1 112 112 GLY CA C 112 43.084 43.084 44.940 -1.856 18364 1101 1 2 . 1 1 112 112 GLY H H 112 8.333 8.333 8.504 -0.171 18364 1102 1 2 . 1 1 113 113 ASN N N 113 119.462 119.462 118.740 0.722 18364 1103 1 2 . 1 1 113 113 ASN HA H 113 4.926 4.926 4.998 -0.072 18364 1104 1 2 . 1 1 113 113 ASN CA C 113 49.373 49.373 52.382 -3.009 18364 1105 1 2 . 1 1 113 113 ASN CB C 113 37.377 37.377 39.560 -2.183 18364 1106 1 2 . 1 1 113 113 ASN H H 113 8.210 8.210 7.925 0.285 18364 1107 1 2 . 1 1 114 114 THR N N 114 117.962 117.962 115.677 2.285 18364 1108 1 2 . 1 1 114 114 THR HA H 114 4.136 4.136 4.279 -0.143 18364 1109 1 2 . 1 1 114 114 THR CA C 114 62.066 62.066 62.730 -0.664 18364 1110 1 2 . 1 1 114 114 THR CB C 114 66.489 66.489 68.761 -2.272 18364 1111 1 2 . 1 1 114 114 THR H H 114 8.436 8.436 8.293 0.143 18364 1112 1 2 . 1 1 115 115 LEU N N 115 132.998 132.998 129.128 3.870 18364 1113 1 2 . 1 1 115 115 LEU HA H 115 4.607 4.607 4.367 0.240 18364 1114 1 2 . 1 1 115 115 LEU CA C 115 52.335 52.335 55.542 -3.207 18364 1115 1 2 . 1 1 115 115 LEU CB C 115 41.546 41.546 42.923 -1.377 18364 1116 1 2 . 1 1 115 115 LEU H H 115 8.789 8.789 8.319 0.470 18364 1117 1 2 . 1 1 116 116 ILE N N 116 126.586 126.586 123.339 3.247 18364 1118 1 2 . 1 1 116 116 ILE HA H 116 4.784 4.784 4.895 -0.111 18364 1119 1 2 . 1 1 116 116 ILE CA C 116 58.270 58.270 60.243 -1.973 18364 1120 1 2 . 1 1 116 116 ILE CB C 116 37.909 37.909 41.772 -3.863 18364 1121 1 2 . 1 1 116 116 ILE H H 116 8.637 8.637 8.108 0.529 18364 1122 1 2 . 1 1 117 117 GLU N N 117 127.084 127.084 125.462 1.622 18364 1123 1 2 . 1 1 117 117 GLU HA H 117 4.830 4.830 4.890 -0.060 18364 1124 1 2 . 1 1 117 117 GLU CA C 117 51.847 51.847 54.739 -2.892 18364 1125 1 2 . 1 1 117 117 GLU CB C 117 32.299 32.299 34.891 -2.592 18364 1126 1 2 . 1 1 117 117 GLU H H 117 8.933 8.933 8.873 0.060 18364 1127 1 2 . 1 1 118 118 THR N N 118 110.826 110.826 111.240 -0.414 18364 1128 1 2 . 1 1 118 118 THR HA H 118 5.190 5.190 5.301 -0.111 18364 1129 1 2 . 1 1 118 118 THR CA C 118 57.036 57.036 60.703 -3.667 18364 1130 1 2 . 1 1 118 118 THR CB C 118 69.888 69.888 71.374 -1.486 18364 1131 1 2 . 1 1 118 118 THR H H 118 8.664 8.664 8.431 0.234 18364 1132 1 2 . 1 1 119 119 PHE N N 119 115.915 115.915 118.982 -3.067 18364 1133 1 2 . 1 1 119 119 PHE HA H 119 4.999 4.999 5.029 -0.030 18364 1134 1 2 . 1 1 119 119 PHE CA C 119 53.804 53.804 57.191 -3.387 18364 1135 1 2 . 1 1 119 119 PHE CB C 119 39.787 39.787 41.417 -1.630 18364 1136 1 2 . 1 1 119 119 PHE H H 119 8.087 8.087 8.687 -0.600 18364 1137 1 2 . 1 1 120 120 SER N N 120 114.953 114.953 115.556 -0.603 18364 1138 1 2 . 1 1 120 120 SER HA H 120 5.383 5.383 4.728 0.655 18364 1139 1 2 . 1 1 120 120 SER CA C 120 55.192 55.192 58.160 -2.968 18364 1140 1 2 . 1 1 120 120 SER CB C 120 62.113 62.113 65.377 -3.264 18364 1141 1 2 . 1 1 120 120 SER H H 120 8.627 8.627 8.366 0.261 18364 1142 1 2 . 1 1 121 121 VAL N N 121 124.122 124.122 124.384 -0.262 18364 1143 1 2 . 1 1 121 121 VAL HA H 121 4.349 4.349 4.441 -0.092 18364 1144 1 2 . 1 1 121 121 VAL CA C 121 59.005 59.005 62.164 -3.159 18364 1145 1 2 . 1 1 121 121 VAL CB C 121 34.127 34.127 33.922 0.205 18364 1146 1 2 . 1 1 121 121 VAL H H 121 8.866 8.866 8.427 0.439 18364 1147 1 2 . 1 1 122 122 SER N N 122 119.703 119.703 121.734 -2.031 18364 1148 1 2 . 1 1 122 122 SER HA H 122 5.598 5.598 5.173 0.425 18364 1149 1 2 . 1 1 122 122 SER CA C 122 53.065 53.065 57.516 -4.451 18364 1150 1 2 . 1 1 122 122 SER CB C 122 63.442 63.442 65.170 -1.728 18364 1151 1 2 . 1 1 122 122 SER H H 122 8.334 8.334 8.567 -0.233 18364 1152 1 2 . 1 1 123 123 THR N N 123 113.276 113.276 112.786 0.490 18364 1153 1 2 . 1 1 123 123 THR HA H 123 4.093 4.093 4.634 -0.541 18364 1154 1 2 . 1 1 123 123 THR CA C 123 60.143 60.143 61.578 -1.435 18364 1155 1 2 . 1 1 123 123 THR CB C 123 64.437 64.437 69.195 -4.758 18364 1156 1 2 . 1 1 123 123 THR H H 123 8.898 8.898 8.888 0.010 18364 1157 1 2 . 1 1 124 124 LYS N N 124 119.191 119.191 121.212 -2.021 18364 1158 1 2 . 1 1 124 124 LYS HA H 124 4.324 4.324 4.551 -0.227 18364 1159 1 2 . 1 1 124 124 LYS CA C 124 53.486 53.486 56.960 -3.474 18364 1160 1 2 . 1 1 124 124 LYS CB C 124 32.376 32.376 34.584 -2.208 18364 1161 1 2 . 1 1 124 124 LYS H H 124 7.569 7.569 7.675 -0.106 18364 1162 1 2 . 1 1 125 125 GLU N N 125 124.243 124.243 121.357 2.886 18364 1163 1 2 . 1 1 125 125 GLU HA H 125 4.255 4.255 4.648 -0.393 18364 1164 1 2 . 1 1 125 125 GLU CA C 125 53.830 53.830 56.386 -2.556 18364 1165 1 2 . 1 1 125 125 GLU CB C 125 27.674 27.674 31.458 -3.784 18364 1166 1 2 . 1 1 125 125 GLU H H 125 8.359 8.359 8.381 -0.022 18364 1167 1 3 . 1 1 2 2 ALA CA C 2 50.698 50.698 52.307 -1.609 18364 1168 1 3 . 1 1 2 2 ALA CB C 2 16.688 16.688 21.097 -4.409 18364 1169 1 3 . 1 1 3 3 SER N N 3 113.663 113.663 114.654 -0.991 18364 1170 1 3 . 1 1 3 3 SER HA H 3 4.296 4.296 4.623 -0.327 18364 1171 1 3 . 1 1 3 3 SER CA C 3 55.573 55.573 57.155 -1.582 18364 1172 1 3 . 1 1 3 3 SER CB C 3 60.888 60.888 64.409 -3.521 18364 1173 1 3 . 1 1 3 3 SER H H 3 8.301 8.301 8.572 -0.271 18364 1174 1 3 . 1 1 4 4 ASP N N 4 121.532 121.532 119.823 1.709 18364 1175 1 3 . 1 1 4 4 ASP HA H 4 4.394 4.394 4.408 -0.014 18364 1176 1 3 . 1 1 4 4 ASP CA C 4 51.748 51.748 54.187 -2.439 18364 1177 1 3 . 1 1 4 4 ASP CB C 4 38.614 38.614 41.152 -2.538 18364 1178 1 3 . 1 1 4 4 ASP H H 4 7.874 7.874 8.153 -0.279 18364 1179 1 3 . 1 1 5 5 PHE N N 5 119.126 119.126 118.394 0.732 18364 1180 1 3 . 1 1 5 5 PHE HA H 5 4.535 4.535 4.758 -0.223 18364 1181 1 3 . 1 1 5 5 PHE CA C 5 54.589 54.589 57.666 -3.077 18364 1182 1 3 . 1 1 5 5 PHE CB C 5 37.079 37.079 40.642 -3.563 18364 1183 1 3 . 1 1 5 5 PHE H H 5 7.832 7.832 8.133 -0.301 18364 1184 1 3 . 1 1 6 6 GLN N N 6 122.092 122.092 126.642 -4.550 18364 1185 1 3 . 1 1 6 6 GLN HA H 6 4.417 4.417 4.850 -0.433 18364 1186 1 3 . 1 1 6 6 GLN CA C 6 53.128 53.128 55.372 -2.244 18364 1187 1 3 . 1 1 6 6 GLN CB C 6 27.477 27.477 30.659 -3.182 18364 1188 1 3 . 1 1 6 6 GLN H H 6 8.447 8.447 9.046 -0.599 18364 1189 1 3 . 1 1 7 7 THR N N 7 114.717 114.717 114.822 -0.105 18364 1190 1 3 . 1 1 7 7 THR HA H 7 5.035 5.035 4.550 0.485 18364 1191 1 3 . 1 1 7 7 THR CA C 7 57.906 57.906 61.952 -4.046 18364 1192 1 3 . 1 1 7 7 THR CB C 7 68.370 68.370 69.835 -1.465 18364 1193 1 3 . 1 1 7 7 THR H H 7 8.145 8.145 8.285 -0.140 18364 1194 1 3 . 1 1 8 8 GLY N N 8 111.628 111.628 110.312 1.316 18364 1195 1 3 . 1 1 8 8 GLY CA C 8 43.774 43.774 45.945 -2.171 18364 1196 1 3 . 1 1 8 8 GLY H H 8 9.234 9.234 8.333 0.901 18364 1197 1 3 . 1 1 9 9 ILE N N 9 119.585 119.585 121.469 -1.884 18364 1198 1 3 . 1 1 9 9 ILE HA H 9 3.934 3.934 4.888 -0.954 18364 1199 1 3 . 1 1 9 9 ILE CA C 9 58.907 58.907 60.386 -1.479 18364 1200 1 3 . 1 1 9 9 ILE CB C 9 35.738 35.738 41.465 -5.727 18364 1201 1 3 . 1 1 9 9 ILE H H 9 8.603 8.603 7.958 0.645 18364 1202 1 3 . 1 1 10 10 HIS N N 10 133.616 133.616 126.865 6.751 18364 1203 1 3 . 1 1 10 10 HIS HA H 10 5.185 5.185 5.416 -0.231 18364 1204 1 3 . 1 1 10 10 HIS CA C 10 53.587 53.587 55.358 -1.771 18364 1205 1 3 . 1 1 10 10 HIS CB C 10 30.817 30.817 31.970 -1.153 18364 1206 1 3 . 1 1 10 10 HIS H H 10 8.599 8.599 8.609 -0.010 18364 1207 1 3 . 1 1 11 11 LYS N N 11 122.949 122.949 118.952 3.997 18364 1208 1 3 . 1 1 11 11 LYS HA H 11 5.236 5.236 5.315 -0.079 18364 1209 1 3 . 1 1 11 11 LYS CA C 11 52.748 52.748 54.209 -1.461 18364 1210 1 3 . 1 1 11 11 LYS CB C 11 35.137 35.137 36.166 -1.029 18364 1211 1 3 . 1 1 11 11 LYS H H 11 8.775 8.775 9.096 -0.321 18364 1212 1 3 . 1 1 12 12 ILE N N 12 125.260 125.260 119.899 5.361 18364 1213 1 3 . 1 1 12 12 ILE HA H 12 5.273 5.273 5.171 0.102 18364 1214 1 3 . 1 1 12 12 ILE CA C 12 55.780 55.780 58.976 -3.196 18364 1215 1 3 . 1 1 12 12 ILE CB C 12 38.767 38.767 42.053 -3.287 18364 1216 1 3 . 1 1 12 12 ILE H H 12 8.578 8.578 9.052 -0.474 18364 1217 1 3 . 1 1 13 13 VAL N N 13 126.515 126.515 124.458 2.057 18364 1218 1 3 . 1 1 13 13 VAL HA H 13 4.795 4.795 4.844 -0.049 18364 1219 1 3 . 1 1 13 13 VAL CA C 13 58.115 58.115 61.187 -3.072 18364 1220 1 3 . 1 1 13 13 VAL CB C 13 32.948 32.948 35.605 -2.657 18364 1221 1 3 . 1 1 13 13 VAL H H 13 9.052 9.052 8.999 0.053 18364 1222 1 3 . 1 1 14 14 ILE N N 14 125.803 125.803 125.458 0.345 18364 1223 1 3 . 1 1 14 14 ILE HA H 14 5.008 5.008 5.072 -0.064 18364 1224 1 3 . 1 1 14 14 ILE CA C 14 57.539 57.539 59.647 -2.108 18364 1225 1 3 . 1 1 14 14 ILE CB C 14 38.656 38.656 42.250 -3.594 18364 1226 1 3 . 1 1 14 14 ILE H H 14 8.974 8.974 8.902 0.072 18364 1227 1 3 . 1 1 15 15 GLN N N 15 125.773 125.773 121.047 4.726 18364 1228 1 3 . 1 1 15 15 GLN HA H 15 5.433 5.433 4.972 0.461 18364 1229 1 3 . 1 1 15 15 GLN CA C 15 51.002 51.002 54.817 -3.815 18364 1230 1 3 . 1 1 15 15 GLN CB C 15 29.637 29.637 33.467 -3.830 18364 1231 1 3 . 1 1 15 15 GLN H H 15 9.244 9.244 8.815 0.429 18364 1232 1 3 . 1 1 16 16 GLN N N 16 119.832 119.832 118.366 1.466 18364 1233 1 3 . 1 1 16 16 GLN HA H 16 5.741 5.741 5.461 0.280 18364 1234 1 3 . 1 1 16 16 GLN CA C 16 50.572 50.572 54.657 -4.085 18364 1235 1 3 . 1 1 16 16 GLN CB C 16 30.039 30.039 32.920 -2.881 18364 1236 1 3 . 1 1 16 16 GLN H H 16 8.964 8.964 8.442 0.522 18364 1237 1 3 . 1 1 17 17 SER N N 17 115.201 115.201 116.313 -1.112 18364 1238 1 3 . 1 1 17 17 SER HA H 17 4.526 4.526 4.822 -0.296 18364 1239 1 3 . 1 1 17 17 SER CA C 17 54.831 54.831 57.781 -2.950 18364 1240 1 3 . 1 1 17 17 SER CB C 17 62.930 62.930 65.940 -3.010 18364 1241 1 3 . 1 1 17 17 SER H H 17 8.770 8.770 8.147 0.623 18364 1242 1 3 . 1 1 18 18 GLY N N 18 109.321 109.321 110.177 -0.856 18364 1243 1 3 . 1 1 18 18 GLY CA C 18 41.737 41.737 44.811 -3.074 18364 1244 1 3 . 1 1 18 18 GLY H H 18 8.798 8.798 8.258 0.540 18364 1245 1 3 . 1 1 19 19 ASP N N 19 128.121 128.121 125.285 2.836 18364 1246 1 3 . 1 1 19 19 ASP HA H 19 5.071 5.071 4.518 0.553 18364 1247 1 3 . 1 1 19 19 ASP CA C 19 51.251 51.251 53.717 -2.466 18364 1248 1 3 . 1 1 19 19 ASP CB C 19 37.872 37.872 39.136 -1.264 18364 1249 1 3 . 1 1 19 19 ASP H H 19 9.708 9.708 8.296 1.412 18364 1250 1 3 . 1 1 20 20 THR N N 20 111.610 111.610 114.721 -3.111 18364 1251 1 3 . 1 1 20 20 THR HA H 20 3.615 3.615 3.018 0.597 18364 1252 1 3 . 1 1 20 20 THR CA C 20 63.331 63.331 61.885 1.446 18364 1253 1 3 . 1 1 20 20 THR CB C 20 64.873 64.873 66.976 -2.103 18364 1254 1 3 . 1 1 20 20 THR H H 20 8.136 8.136 7.959 0.177 18364 1255 1 3 . 1 1 21 21 ASP N N 21 118.304 118.304 120.870 -2.566 18364 1256 1 3 . 1 1 21 21 ASP HA H 21 4.639 4.639 4.758 -0.119 18364 1257 1 3 . 1 1 21 21 ASP CA C 21 52.945 52.945 54.619 -1.674 18364 1258 1 3 . 1 1 21 21 ASP CB C 21 37.785 37.785 41.939 -4.154 18364 1259 1 3 . 1 1 21 21 ASP H H 21 8.566 8.566 8.360 0.206 18364 1260 1 3 . 1 1 22 22 SER N N 22 114.253 114.253 116.535 -2.282 18364 1261 1 3 . 1 1 22 22 SER HA H 22 4.384 4.384 4.855 -0.471 18364 1262 1 3 . 1 1 22 22 SER CA C 22 57.170 57.170 58.514 -1.345 18364 1263 1 3 . 1 1 22 22 SER CB C 22 61.441 61.441 63.971 -2.530 18364 1264 1 3 . 1 1 22 22 SER H H 22 8.076 8.076 8.009 0.067 18364 1265 1 3 . 1 1 23 23 PHE N N 23 119.853 119.853 117.885 1.968 18364 1266 1 3 . 1 1 23 23 PHE HA H 23 5.010 5.010 5.518 -0.508 18364 1267 1 3 . 1 1 23 23 PHE CA C 23 53.272 53.272 55.121 -1.849 18364 1268 1 3 . 1 1 23 23 PHE CB C 23 42.021 42.021 41.734 0.286 18364 1269 1 3 . 1 1 23 23 PHE H H 23 7.611 7.611 8.091 -0.480 18364 1270 1 3 . 1 1 24 24 GLU N N 24 119.255 119.255 120.878 -1.623 18364 1271 1 3 . 1 1 24 24 GLU HA H 24 4.571 4.571 4.303 0.268 18364 1272 1 3 . 1 1 24 24 GLU CA C 24 52.642 52.642 55.976 -3.334 18364 1273 1 3 . 1 1 24 24 GLU CB C 24 28.881 28.881 32.912 -4.031 18364 1274 1 3 . 1 1 24 24 GLU H H 24 8.958 8.958 8.808 0.150 18364 1275 1 3 . 1 1 25 25 VAL N N 25 130.637 130.637 127.690 2.947 18364 1276 1 3 . 1 1 25 25 VAL HA H 25 4.859 4.859 4.521 0.338 18364 1277 1 3 . 1 1 25 25 VAL CA C 25 58.548 58.548 61.122 -2.574 18364 1278 1 3 . 1 1 25 25 VAL CB C 25 30.439 30.439 31.033 -0.594 18364 1279 1 3 . 1 1 25 25 VAL H H 25 9.678 9.678 8.678 1.000 18364 1280 1 3 . 1 1 26 26 SER N N 26 122.555 122.555 124.358 -1.803 18364 1281 1 3 . 1 1 26 26 SER HA H 26 5.289 5.289 4.977 0.312 18364 1282 1 3 . 1 1 26 26 SER CA C 26 54.088 54.088 57.138 -3.050 18364 1283 1 3 . 1 1 26 26 SER CB C 26 62.476 62.476 63.405 -0.929 18364 1284 1 3 . 1 1 26 26 SER H H 26 8.883 8.883 8.301 0.582 18364 1285 1 3 . 1 1 27 27 VAL N N 27 113.682 113.682 125.319 -11.637 18364 1286 1 3 . 1 1 27 27 VAL HA H 27 5.269 5.269 4.341 0.928 18364 1287 1 3 . 1 1 27 27 VAL CA C 27 56.005 56.005 60.607 -4.602 18364 1288 1 3 . 1 1 27 27 VAL CB C 27 34.158 34.158 35.099 -0.941 18364 1289 1 3 . 1 1 27 27 VAL H H 27 8.493 8.493 8.228 0.265 18364 1290 1 3 . 1 1 28 28 SER N N 28 116.852 116.852 117.825 -0.973 18364 1291 1 3 . 1 1 28 28 SER HA H 28 5.410 5.410 4.900 0.510 18364 1292 1 3 . 1 1 28 28 SER CA C 28 54.633 54.633 57.783 -3.150 18364 1293 1 3 . 1 1 28 28 SER CB C 28 62.095 62.095 63.971 -1.876 18364 1294 1 3 . 1 1 28 28 SER H H 28 8.709 8.709 8.433 0.276 18364 1295 1 3 . 1 1 29 29 ILE N N 29 128.765 128.765 124.117 4.648 18364 1296 1 3 . 1 1 29 29 ILE HA H 29 5.224 5.224 4.744 0.480 18364 1297 1 3 . 1 1 29 29 ILE CA C 29 57.247 57.247 60.116 -2.869 18364 1298 1 3 . 1 1 29 29 ILE CB C 29 39.144 39.144 40.544 -1.400 18364 1299 1 3 . 1 1 29 29 ILE H H 29 9.631 9.631 8.405 1.226 18364 1300 1 3 . 1 1 30 30 GLY N N 30 112.478 112.478 113.221 -0.743 18364 1301 1 3 . 1 1 30 30 GLY CA C 30 42.140 42.140 44.257 -2.117 18364 1302 1 3 . 1 1 30 30 GLY H H 30 8.095 8.095 7.818 0.277 18364 1303 1 3 . 1 1 31 31 GLY N N 31 108.502 108.502 104.634 3.868 18364 1304 1 3 . 1 1 31 31 GLY CA C 31 43.201 43.201 45.150 -1.949 18364 1305 1 3 . 1 1 31 31 GLY H H 31 9.755 9.755 8.024 1.731 18364 1306 1 3 . 1 1 32 32 ALA N N 32 122.020 122.020 120.138 1.882 18364 1307 1 3 . 1 1 32 32 ALA HA H 32 4.967 4.967 4.789 0.178 18364 1308 1 3 . 1 1 32 32 ALA CA C 32 48.540 48.540 50.420 -1.880 18364 1309 1 3 . 1 1 32 32 ALA CB C 32 21.078 21.078 22.620 -1.542 18364 1310 1 3 . 1 1 32 32 ALA H H 32 7.338 7.338 7.103 0.235 18364 1311 1 3 . 1 1 33 33 ASP N N 33 121.217 121.217 122.253 -1.036 18364 1312 1 3 . 1 1 33 33 ASP HA H 33 3.680 3.680 4.822 -1.142 18364 1313 1 3 . 1 1 33 33 ASP CA C 33 49.520 49.520 51.806 -2.286 18364 1314 1 3 . 1 1 33 33 ASP CB C 33 40.840 40.840 43.407 -2.567 18364 1315 1 3 . 1 1 33 33 ASP H H 33 8.945 8.945 8.778 0.167 18364 1316 1 3 . 1 1 34 34 LYS N N 34 117.693 117.693 121.032 -3.339 18364 1317 1 3 . 1 1 34 34 LYS HA H 34 4.017 4.017 4.459 -0.442 18364 1318 1 3 . 1 1 34 34 LYS CA C 34 56.700 56.700 56.371 0.329 18364 1319 1 3 . 1 1 34 34 LYS CB C 34 29.772 29.772 31.000 -1.228 18364 1320 1 3 . 1 1 34 34 LYS H H 34 8.200 8.200 8.498 -0.298 18364 1321 1 3 . 1 1 35 35 GLY N N 35 106.697 106.697 111.396 -4.699 18364 1322 1 3 . 1 1 35 35 GLY CA C 35 42.719 42.719 44.854 -2.135 18364 1323 1 3 . 1 1 35 35 GLY H H 35 8.653 8.653 8.147 0.506 18364 1324 1 3 . 1 1 36 36 GLY N N 36 110.824 110.824 107.831 2.993 18364 1325 1 3 . 1 1 36 36 GLY CA C 36 41.099 41.099 44.927 -3.828 18364 1326 1 3 . 1 1 36 36 GLY H H 36 7.601 7.601 7.748 -0.147 18364 1327 1 3 . 1 1 37 37 PRO HA H 37 4.571 4.571 4.704 -0.133 18364 1328 1 3 . 1 1 37 37 PRO CA C 37 60.012 60.012 62.175 -2.163 18364 1329 1 3 . 1 1 37 37 PRO CB C 37 29.470 29.470 33.169 -3.699 18364 1330 1 3 . 1 1 38 38 ALA N N 38 127.841 127.841 121.660 6.181 18364 1331 1 3 . 1 1 38 38 ALA HA H 38 4.127 4.127 4.723 -0.596 18364 1332 1 3 . 1 1 38 38 ALA CA C 38 48.117 48.117 50.281 -2.164 18364 1333 1 3 . 1 1 38 38 ALA CB C 38 16.655 16.655 20.345 -3.690 18364 1334 1 3 . 1 1 38 38 ALA H H 38 7.486 7.486 8.069 -0.583 18364 1335 1 3 . 1 1 39 39 LYS N N 39 121.148 121.148 125.992 -4.844 18364 1336 1 3 . 1 1 39 39 LYS HA H 39 4.115 4.115 4.283 -0.168 18364 1337 1 3 . 1 1 39 39 LYS CA C 39 55.674 55.674 57.477 -1.803 18364 1338 1 3 . 1 1 39 39 LYS CB C 39 31.223 31.223 32.429 -1.206 18364 1339 1 3 . 1 1 39 39 LYS H H 39 8.042 8.042 8.639 -0.597 18364 1340 1 3 . 1 1 40 40 LEU N N 40 118.817 118.817 123.414 -4.597 18364 1341 1 3 . 1 1 40 40 LEU HA H 40 5.122 5.122 4.849 0.273 18364 1342 1 3 . 1 1 40 40 LEU CA C 40 50.156 50.156 54.100 -3.945 18364 1343 1 3 . 1 1 40 40 LEU CB C 40 42.172 42.172 44.964 -2.792 18364 1344 1 3 . 1 1 40 40 LEU H H 40 7.901 7.901 8.643 -0.742 18364 1345 1 3 . 1 1 41 41 TYR N N 41 117.843 117.843 117.140 0.703 18364 1346 1 3 . 1 1 41 41 TYR HA H 41 5.303 5.303 5.167 0.136 18364 1347 1 3 . 1 1 41 41 TYR CA C 41 53.394 53.394 56.901 -3.507 18364 1348 1 3 . 1 1 41 41 TYR CB C 41 39.419 39.419 41.910 -2.490 18364 1349 1 3 . 1 1 41 41 TYR H H 41 9.109 9.109 9.048 0.061 18364 1350 1 3 . 1 1 42 42 ASN N N 42 117.689 117.689 119.842 -2.153 18364 1351 1 3 . 1 1 42 42 ASN HA H 42 4.984 4.984 4.701 0.283 18364 1352 1 3 . 1 1 42 42 ASN CA C 42 48.001 48.001 53.057 -5.056 18364 1353 1 3 . 1 1 42 42 ASN CB C 42 36.514 36.514 39.783 -3.269 18364 1354 1 3 . 1 1 42 42 ASN H H 42 8.239 8.239 8.689 -0.450 18364 1355 1 3 . 1 1 43 43 ASP N N 43 116.760 116.760 115.165 1.595 18364 1356 1 3 . 1 1 43 43 ASP HA H 43 4.170 4.170 4.715 -0.545 18364 1357 1 3 . 1 1 43 43 ASP CA C 43 53.123 53.123 54.779 -1.655 18364 1358 1 3 . 1 1 43 43 ASP CB C 43 37.355 37.355 40.695 -3.340 18364 1359 1 3 . 1 1 43 43 ASP H H 43 8.650 8.650 8.611 0.038 18364 1360 1 3 . 1 1 44 44 LYS N N 44 118.108 118.108 119.215 -1.107 18364 1361 1 3 . 1 1 44 44 LYS HA H 44 4.359 4.359 4.462 -0.103 18364 1362 1 3 . 1 1 44 44 LYS CA C 44 52.676 52.676 56.124 -3.448 18364 1363 1 3 . 1 1 44 44 LYS CB C 44 30.170 30.170 33.109 -2.939 18364 1364 1 3 . 1 1 44 44 LYS H H 44 7.505 7.505 8.241 -0.736 18364 1365 1 3 . 1 1 45 45 GLY N N 45 108.163 108.163 107.393 0.770 18364 1366 1 3 . 1 1 45 45 GLY CA C 45 42.988 42.988 45.006 -2.018 18364 1367 1 3 . 1 1 45 45 GLY H H 45 8.117 8.117 8.344 -0.227 18364 1368 1 3 . 1 1 46 46 GLU N N 46 120.173 120.173 119.155 1.018 18364 1369 1 3 . 1 1 46 46 GLU HA H 46 4.345 4.345 4.737 -0.392 18364 1370 1 3 . 1 1 46 46 GLU CA C 46 52.409 52.409 54.962 -2.553 18364 1371 1 3 . 1 1 46 46 GLU CB C 46 27.408 27.408 31.926 -4.518 18364 1372 1 3 . 1 1 46 46 GLU H H 46 7.884 7.884 8.063 -0.179 18364 1373 1 3 . 1 1 47 47 TYR N N 47 123.803 123.803 125.357 -1.554 18364 1374 1 3 . 1 1 47 47 TYR HA H 47 4.351 4.351 3.839 0.512 18364 1375 1 3 . 1 1 47 47 TYR CA C 47 54.317 54.317 58.413 -4.096 18364 1376 1 3 . 1 1 47 47 TYR CB C 47 35.858 35.858 38.456 -2.598 18364 1377 1 3 . 1 1 47 47 TYR H H 47 8.710 8.710 8.754 -0.044 18364 1378 1 3 . 1 1 48 48 ILE N N 48 123.458 123.458 121.940 1.518 18364 1379 1 3 . 1 1 48 48 ILE HA H 48 4.173 4.173 4.126 0.047 18364 1380 1 3 . 1 1 48 48 ILE CA C 48 58.314 58.314 59.882 -1.568 18364 1381 1 3 . 1 1 48 48 ILE CB C 48 36.129 36.129 37.828 -1.699 18364 1382 1 3 . 1 1 48 48 ILE H H 48 8.416 8.416 7.830 0.586 18364 1383 1 3 . 1 1 49 49 GLY N N 49 107.257 107.257 109.338 -2.081 18364 1384 1 3 . 1 1 49 49 GLY CA C 49 41.367 41.367 44.535 -3.168 18364 1385 1 3 . 1 1 49 49 GLY H H 49 5.472 5.472 6.320 -0.848 18364 1386 1 3 . 1 1 50 50 ASP N N 50 116.887 116.887 118.125 -1.238 18364 1387 1 3 . 1 1 50 50 ASP HA H 50 5.043 5.043 5.011 0.032 18364 1388 1 3 . 1 1 50 50 ASP CA C 50 50.588 50.588 53.408 -2.820 18364 1389 1 3 . 1 1 50 50 ASP CB C 50 37.448 37.448 41.992 -4.544 18364 1390 1 3 . 1 1 50 50 ASP H H 50 8.234 8.234 8.733 -0.499 18364 1391 1 3 . 1 1 51 51 SER N N 51 112.664 112.664 112.801 -0.137 18364 1392 1 3 . 1 1 51 51 SER HA H 51 4.439 4.439 4.747 -0.308 18364 1393 1 3 . 1 1 51 51 SER CA C 51 55.489 55.489 57.694 -2.205 18364 1394 1 3 . 1 1 51 51 SER CB C 51 61.559 61.559 64.668 -3.109 18364 1395 1 3 . 1 1 51 51 SER H H 51 7.689 7.689 7.637 0.052 18364 1396 1 3 . 1 1 52 52 TYR N N 52 122.672 122.672 120.695 1.977 18364 1397 1 3 . 1 1 52 52 TYR HA H 52 4.732 4.732 4.844 -0.112 18364 1398 1 3 . 1 1 52 52 TYR CA C 52 55.168 55.168 57.386 -2.218 18364 1399 1 3 . 1 1 52 52 TYR CB C 52 38.599 38.599 38.741 -0.142 18364 1400 1 3 . 1 1 52 52 TYR H H 52 8.231 8.231 8.050 0.181 18364 1401 1 3 . 1 1 53 53 SER N N 53 123.803 123.803 115.920 7.883 18364 1402 1 3 . 1 1 53 53 SER HA H 53 5.429 5.429 5.401 0.028 18364 1403 1 3 . 1 1 53 53 SER CA C 53 53.508 53.508 57.051 -3.543 18364 1404 1 3 . 1 1 53 53 SER CB C 53 61.674 61.674 66.433 -4.759 18364 1405 1 3 . 1 1 53 53 SER H H 53 8.008 8.008 8.458 -0.450 18364 1406 1 3 . 1 1 54 54 ALA N N 54 125.516 125.516 123.837 1.679 18364 1407 1 3 . 1 1 54 54 ALA HA H 54 4.289 4.289 4.724 -0.435 18364 1408 1 3 . 1 1 54 54 ALA CA C 54 49.097 49.097 51.965 -2.869 18364 1409 1 3 . 1 1 54 54 ALA CB C 54 20.259 20.259 21.924 -1.665 18364 1410 1 3 . 1 1 54 54 ALA H H 54 8.089 8.089 9.039 -0.950 18364 1411 1 3 . 1 1 55 55 GLN N N 55 118.838 118.838 124.678 -5.840 18364 1412 1 3 . 1 1 55 55 GLN HA H 55 4.975 4.975 4.900 0.075 18364 1413 1 3 . 1 1 55 55 GLN CA C 55 52.306 52.306 55.132 -2.826 18364 1414 1 3 . 1 1 55 55 GLN CB C 55 26.138 26.138 30.184 -4.046 18364 1415 1 3 . 1 1 55 55 GLN H H 55 8.100 8.100 8.516 -0.416 18364 1416 1 3 . 1 1 56 56 ILE N N 56 124.748 124.748 124.898 -0.150 18364 1417 1 3 . 1 1 56 56 ILE HA H 56 4.246 4.246 4.222 0.024 18364 1418 1 3 . 1 1 56 56 ILE CA C 56 57.529 57.529 60.861 -3.332 18364 1419 1 3 . 1 1 56 56 ILE CB C 56 34.915 34.915 36.212 -1.296 18364 1420 1 3 . 1 1 56 56 ILE H H 56 8.910 8.910 8.310 0.600 18364 1421 1 3 . 1 1 57 57 ARG N N 57 127.183 127.183 125.732 1.451 18364 1422 1 3 . 1 1 57 57 ARG HA H 57 4.777 4.777 4.639 0.138 18364 1423 1 3 . 1 1 57 57 ARG CA C 57 52.455 52.455 55.735 -3.280 18364 1424 1 3 . 1 1 57 57 ARG CB C 57 28.839 28.839 30.442 -1.603 18364 1425 1 3 . 1 1 57 57 ARG H H 57 8.979 8.979 8.703 0.276 18364 1426 1 3 . 1 1 58 58 THR N N 58 109.995 109.995 110.013 -0.018 18364 1427 1 3 . 1 1 58 58 THR HA H 58 4.529 4.529 4.608 -0.079 18364 1428 1 3 . 1 1 58 58 THR CA C 58 57.124 57.124 59.852 -2.728 18364 1429 1 3 . 1 1 58 58 THR CB C 58 68.143 68.143 71.641 -3.498 18364 1430 1 3 . 1 1 58 58 THR H H 58 7.150 7.150 7.562 -0.412 18364 1431 1 3 . 1 1 59 59 ALA N N 59 123.143 123.143 121.932 1.211 18364 1432 1 3 . 1 1 59 59 ALA HA H 59 4.167 4.167 4.300 -0.133 18364 1433 1 3 . 1 1 59 59 ALA CA C 59 52.603 52.603 53.507 -0.904 18364 1434 1 3 . 1 1 59 59 ALA CB C 59 16.910 16.910 19.286 -2.376 18364 1435 1 3 . 1 1 59 59 ALA H H 59 8.531 8.531 8.547 -0.016 18364 1436 1 3 . 1 1 60 60 THR N N 60 105.988 105.988 107.233 -1.245 18364 1437 1 3 . 1 1 60 60 THR HA H 60 5.471 5.471 5.177 0.294 18364 1438 1 3 . 1 1 60 60 THR CA C 60 56.904 56.904 60.574 -3.670 18364 1439 1 3 . 1 1 60 60 THR CB C 60 69.111 69.111 71.590 -2.479 18364 1440 1 3 . 1 1 60 60 THR H H 60 7.521 7.521 7.506 0.015 18364 1441 1 3 . 1 1 61 61 MET N N 61 124.706 124.706 122.054 2.652 18364 1442 1 3 . 1 1 61 61 MET HA H 61 4.641 4.641 4.918 -0.277 18364 1443 1 3 . 1 1 61 61 MET CA C 61 52.883 52.883 53.614 -0.731 18364 1444 1 3 . 1 1 61 61 MET CB C 61 32.345 32.345 37.265 -4.920 18364 1445 1 3 . 1 1 61 61 MET H H 61 8.758 8.758 9.208 -0.450 18364 1446 1 3 . 1 1 62 62 SER N N 62 117.004 117.004 115.501 1.503 18364 1447 1 3 . 1 1 62 62 SER HA H 62 5.551 5.551 5.238 0.313 18364 1448 1 3 . 1 1 62 62 SER CA C 62 54.255 54.255 57.672 -3.417 18364 1449 1 3 . 1 1 62 62 SER CB C 62 64.130 64.130 65.644 -1.514 18364 1450 1 3 . 1 1 62 62 SER H H 62 8.164 8.164 8.505 -0.341 18364 1451 1 3 . 1 1 63 63 CYS N N 63 120.270 120.270 119.181 1.089 18364 1452 1 3 . 1 1 63 63 CYS HA H 63 5.075 5.075 5.040 0.035 18364 1453 1 3 . 1 1 63 63 CYS CA C 63 54.676 54.676 57.816 -3.140 18364 1454 1 3 . 1 1 63 63 CYS CB C 63 28.679 28.679 32.037 -3.358 18364 1455 1 3 . 1 1 63 63 CYS H H 63 8.537 8.537 8.613 -0.076 18364 1456 1 3 . 1 1 64 64 CYS N N 64 120.868 120.868 119.398 1.470 18364 1457 1 3 . 1 1 64 64 CYS HA H 64 5.918 5.918 5.827 0.091 18364 1458 1 3 . 1 1 64 64 CYS CA C 64 53.204 53.204 56.336 -3.132 18364 1459 1 3 . 1 1 64 64 CYS CB C 64 30.216 30.216 32.211 -1.995 18364 1460 1 3 . 1 1 64 64 CYS H H 64 9.307 9.307 8.775 0.532 18364 1461 1 3 . 1 1 65 65 THR N N 65 109.830 109.830 112.455 -2.625 18364 1462 1 3 . 1 1 65 65 THR HA H 65 5.426 5.426 4.929 0.497 18364 1463 1 3 . 1 1 65 65 THR CA C 65 58.465 58.465 60.170 -1.705 18364 1464 1 3 . 1 1 65 65 THR CB C 65 69.665 69.665 71.322 -1.657 18364 1465 1 3 . 1 1 65 65 THR H H 65 8.447 8.447 8.217 0.230 18364 1466 1 3 . 1 1 66 66 ASN N N 66 114.459 114.459 117.277 -2.818 18364 1467 1 3 . 1 1 66 66 ASN HA H 66 4.656 4.656 4.678 -0.022 18364 1468 1 3 . 1 1 66 66 ASN CA C 66 49.879 49.879 52.485 -2.606 18364 1469 1 3 . 1 1 66 66 ASN CB C 66 36.267 36.267 40.120 -3.853 18364 1470 1 3 . 1 1 66 66 ASN H H 66 9.300 9.300 8.055 1.245 18364 1471 1 3 . 1 1 67 67 GLY N N 67 103.647 103.647 106.529 -2.882 18364 1472 1 3 . 1 1 67 67 GLY CA C 67 43.796 43.796 44.228 -0.432 18364 1473 1 3 . 1 1 67 67 GLY H H 67 8.237 8.237 8.573 -0.336 18364 1474 1 3 . 1 1 69 69 ALA N N 69 121.911 121.911 122.929 -1.018 18364 1475 1 3 . 1 1 69 69 ALA HA H 69 4.244 4.244 4.538 -0.294 18364 1476 1 3 . 1 1 69 69 ALA CA C 69 49.758 49.758 51.820 -2.062 18364 1477 1 3 . 1 1 69 69 ALA CB C 69 17.376 17.376 21.438 -4.062 18364 1478 1 3 . 1 1 69 69 ALA H H 69 7.677 7.677 7.780 -0.103 18364 1479 1 3 . 1 1 70 70 PHE N N 70 114.118 114.118 117.534 -3.416 18364 1480 1 3 . 1 1 70 70 PHE HA H 70 4.965 4.965 4.981 -0.016 18364 1481 1 3 . 1 1 70 70 PHE CA C 70 53.129 53.129 58.343 -5.214 18364 1482 1 3 . 1 1 70 70 PHE CB C 70 37.917 37.917 42.868 -4.952 18364 1483 1 3 . 1 1 70 70 PHE H H 70 8.549 8.549 8.953 -0.404 18364 1484 1 3 . 1 1 71 71 PHE N N 71 110.252 110.252 113.912 -3.660 18364 1485 1 3 . 1 1 71 71 PHE HA H 71 4.247 4.247 4.562 -0.315 18364 1486 1 3 . 1 1 71 71 PHE CA C 71 54.475 54.475 55.687 -1.212 18364 1487 1 3 . 1 1 71 71 PHE CB C 71 38.123 38.123 41.409 -3.286 18364 1488 1 3 . 1 1 71 71 PHE H H 71 6.617 6.617 7.154 -0.537 18364 1489 1 3 . 1 1 72 72 MET N N 72 118.637 118.637 118.528 0.109 18364 1490 1 3 . 1 1 72 72 MET HA H 72 4.800 4.800 5.090 -0.290 18364 1491 1 3 . 1 1 72 72 MET CA C 72 53.108 53.108 54.115 -1.007 18364 1492 1 3 . 1 1 72 72 MET CB C 72 35.826 35.826 36.873 -1.047 18364 1493 1 3 . 1 1 72 72 MET H H 72 8.162 8.162 8.182 -0.020 18364 1494 1 3 . 1 1 73 73 THR N N 73 117.278 117.278 116.714 0.564 18364 1495 1 3 . 1 1 73 73 THR HA H 73 5.018 5.018 5.141 -0.123 18364 1496 1 3 . 1 1 73 73 THR CA C 73 58.316 58.316 61.188 -2.872 18364 1497 1 3 . 1 1 73 73 THR CB C 73 69.118 69.118 71.724 -2.606 18364 1498 1 3 . 1 1 73 73 THR H H 73 9.220 9.220 8.594 0.626 18364 1499 1 3 . 1 1 74 74 CYS N N 74 124.101 124.101 127.191 -3.090 18364 1500 1 3 . 1 1 74 74 CYS HA H 74 5.076 5.076 5.372 -0.296 18364 1501 1 3 . 1 1 74 74 CYS CA C 74 54.219 54.219 56.843 -2.624 18364 1502 1 3 . 1 1 74 74 CYS CB C 74 27.012 27.012 28.173 -1.161 18364 1503 1 3 . 1 1 74 74 CYS H H 74 8.958 8.958 8.551 0.407 18364 1504 1 3 . 1 1 75 75 ALA N N 75 132.901 132.901 128.680 4.221 18364 1505 1 3 . 1 1 75 75 ALA HA H 75 4.975 4.975 5.276 -0.301 18364 1506 1 3 . 1 1 75 75 ALA CA C 75 47.826 47.826 50.372 -2.546 18364 1507 1 3 . 1 1 75 75 ALA CB C 75 18.111 18.111 22.436 -4.325 18364 1508 1 3 . 1 1 75 75 ALA H H 75 8.834 8.834 8.052 0.782 18364 1509 1 3 . 1 1 76 76 GLY N N 76 110.691 110.691 109.956 0.735 18364 1510 1 3 . 1 1 76 76 GLY CA C 76 41.784 41.784 44.897 -3.112 18364 1511 1 3 . 1 1 76 76 GLY H H 76 8.265 8.265 7.652 0.613 18364 1512 1 3 . 1 1 77 77 SER N N 77 115.145 115.145 113.682 1.463 18364 1513 1 3 . 1 1 77 77 SER HA H 77 4.980 4.980 4.948 0.032 18364 1514 1 3 . 1 1 77 77 SER CA C 77 54.022 54.022 57.188 -3.166 18364 1515 1 3 . 1 1 77 77 SER CB C 77 62.987 62.987 66.920 -3.933 18364 1516 1 3 . 1 1 77 77 SER H H 77 8.723 8.723 8.708 0.015 18364 1517 1 3 . 1 1 78 78 VAL N N 78 124.775 124.775 118.988 5.787 18364 1518 1 3 . 1 1 78 78 VAL HA H 78 4.634 4.634 5.018 -0.384 18364 1519 1 3 . 1 1 78 78 VAL CA C 78 58.437 58.437 60.040 -1.603 18364 1520 1 3 . 1 1 78 78 VAL CB C 78 32.177 32.177 34.783 -2.607 18364 1521 1 3 . 1 1 78 78 VAL H H 78 8.963 8.963 8.714 0.249 18364 1522 1 3 . 1 1 79 79 SER N N 79 118.951 118.951 122.255 -3.304 18364 1523 1 3 . 1 1 79 79 SER HA H 79 5.619 5.619 5.227 0.392 18364 1524 1 3 . 1 1 79 79 SER CA C 79 53.011 53.011 57.161 -4.150 18364 1525 1 3 . 1 1 79 79 SER CB C 79 64.197 64.197 66.481 -2.284 18364 1526 1 3 . 1 1 79 79 SER H H 79 8.661 8.661 8.618 0.043 18364 1527 1 3 . 1 1 80 80 SER N N 80 114.750 114.750 115.892 -1.142 18364 1528 1 3 . 1 1 80 80 SER HA H 80 4.439 4.439 5.097 -0.658 18364 1529 1 3 . 1 1 80 80 SER CA C 80 56.198 56.198 55.954 0.244 18364 1530 1 3 . 1 1 80 80 SER CB C 80 63.490 63.490 64.813 -1.323 18364 1531 1 3 . 1 1 80 80 SER H H 80 8.563 8.563 8.802 -0.239 18364 1532 1 3 . 1 1 81 81 ILE N N 81 120.003 120.003 116.619 3.384 18364 1533 1 3 . 1 1 81 81 ILE HA H 81 4.576 4.576 4.640 -0.064 18364 1534 1 3 . 1 1 81 81 ILE CA C 81 57.951 57.951 60.482 -2.531 18364 1535 1 3 . 1 1 81 81 ILE CB C 81 36.011 36.011 38.696 -2.685 18364 1536 1 3 . 1 1 81 81 ILE H H 81 8.366 8.366 8.588 -0.222 18364 1537 1 3 . 1 1 82 82 SER N N 82 119.139 119.139 118.182 0.957 18364 1538 1 3 . 1 1 82 82 SER HA H 82 4.158 4.158 4.517 -0.359 18364 1539 1 3 . 1 1 82 82 SER CA C 82 56.910 56.910 57.635 -0.725 18364 1540 1 3 . 1 1 82 82 SER CB C 82 62.055 62.055 64.575 -2.520 18364 1541 1 3 . 1 1 82 82 SER H H 82 8.204 8.204 7.961 0.243 18364 1542 1 3 . 1 1 83 83 GLU N N 83 118.350 118.350 120.069 -1.719 18364 1543 1 3 . 1 1 83 83 GLU HA H 83 4.133 4.133 4.398 -0.265 18364 1544 1 3 . 1 1 83 83 GLU CA C 83 53.267 53.267 55.676 -2.409 18364 1545 1 3 . 1 1 83 83 GLU CB C 83 27.763 27.763 30.651 -2.888 18364 1546 1 3 . 1 1 83 83 GLU H H 83 8.381 8.381 8.490 -0.109 18364 1547 1 3 . 1 1 84 84 ALA N N 84 121.665 121.665 122.766 -1.101 18364 1548 1 3 . 1 1 84 84 ALA HA H 84 3.542 3.542 4.014 -0.472 18364 1549 1 3 . 1 1 84 84 ALA CA C 84 50.621 50.621 53.639 -3.018 18364 1550 1 3 . 1 1 84 84 ALA CB C 84 16.540 16.540 18.810 -2.270 18364 1551 1 3 . 1 1 84 84 ALA H H 84 8.482 8.482 8.397 0.085 18364 1552 1 3 . 1 1 85 85 GLY N N 85 108.356 108.356 106.651 1.705 18364 1553 1 3 . 1 1 85 85 GLY CA C 85 42.955 42.955 45.003 -2.048 18364 1554 1 3 . 1 1 85 85 GLY H H 85 8.078 8.078 8.616 -0.538 18364 1555 1 3 . 1 1 86 86 LYS N N 86 121.491 121.491 122.679 -1.188 18364 1556 1 3 . 1 1 86 86 LYS HA H 86 4.638 4.638 4.410 0.228 18364 1557 1 3 . 1 1 86 86 LYS CA C 86 51.073 51.073 55.630 -4.557 18364 1558 1 3 . 1 1 86 86 LYS CB C 86 29.750 29.750 33.094 -3.344 18364 1559 1 3 . 1 1 86 86 LYS H H 86 8.225 8.225 8.007 0.218 18364 1560 1 3 . 1 1 87 87 ARG N N 87 121.874 121.874 121.310 0.564 18364 1561 1 3 . 1 1 87 87 ARG HA H 87 5.673 5.673 5.215 0.458 18364 1562 1 3 . 1 1 87 87 ARG CA C 87 52.139 52.139 55.028 -2.889 18364 1563 1 3 . 1 1 87 87 ARG CB C 87 32.163 32.163 33.075 -0.913 18364 1564 1 3 . 1 1 87 87 ARG H H 87 9.979 9.979 8.500 1.479 18364 1565 1 3 . 1 1 88 88 LEU N N 88 125.264 125.264 123.634 1.630 18364 1566 1 3 . 1 1 88 88 LEU HA H 88 4.562 4.562 4.859 -0.297 18364 1567 1 3 . 1 1 88 88 LEU CA C 88 50.284 50.284 53.605 -3.321 18364 1568 1 3 . 1 1 88 88 LEU CB C 88 42.309 42.309 46.817 -4.508 18364 1569 1 3 . 1 1 88 88 LEU H H 88 8.756 8.756 9.055 -0.299 18364 1570 1 3 . 1 1 89 89 HIS N N 89 125.453 125.453 122.949 2.504 18364 1571 1 3 . 1 1 89 89 HIS HA H 89 5.188 5.188 5.015 0.173 18364 1572 1 3 . 1 1 89 89 HIS CA C 89 51.389 51.389 55.752 -4.364 18364 1573 1 3 . 1 1 89 89 HIS CB C 89 27.731 27.731 31.798 -4.067 18364 1574 1 3 . 1 1 89 89 HIS H H 89 8.910 8.910 8.419 0.491 18364 1575 1 3 . 1 1 90 90 ILE N N 90 126.486 126.486 127.808 -1.322 18364 1576 1 3 . 1 1 90 90 ILE HA H 90 5.020 5.020 4.968 0.052 18364 1577 1 3 . 1 1 90 90 ILE CA C 90 55.642 55.642 59.909 -4.267 18364 1578 1 3 . 1 1 90 90 ILE CB C 90 38.696 38.696 41.687 -2.991 18364 1579 1 3 . 1 1 90 90 ILE H H 90 8.689 8.689 8.413 0.276 18364 1580 1 3 . 1 1 91 91 THR N N 91 123.200 123.200 121.648 1.552 18364 1581 1 3 . 1 1 91 91 THR HA H 91 5.017 5.017 4.967 0.050 18364 1582 1 3 . 1 1 91 91 THR CA C 91 58.555 58.555 61.303 -2.748 18364 1583 1 3 . 1 1 91 91 THR CB C 91 68.702 68.702 71.363 -2.661 18364 1584 1 3 . 1 1 91 91 THR H H 91 8.636 8.636 8.491 0.145 18364 1585 1 3 . 1 1 92 92 VAL N N 92 127.071 127.071 121.553 5.518 18364 1586 1 3 . 1 1 92 92 VAL HA H 92 5.018 5.018 4.920 0.098 18364 1587 1 3 . 1 1 92 92 VAL CA C 92 57.969 57.969 61.172 -3.203 18364 1588 1 3 . 1 1 92 92 VAL CB C 92 31.323 31.323 33.155 -1.832 18364 1589 1 3 . 1 1 92 92 VAL H H 92 9.162 9.162 9.088 0.074 18364 1590 1 3 . 1 1 93 93 ILE N N 93 127.095 127.095 125.583 1.512 18364 1591 1 3 . 1 1 93 93 ILE HA H 93 4.461 4.461 4.882 -0.421 18364 1592 1 3 . 1 1 93 93 ILE CA C 93 57.972 57.972 59.656 -1.684 18364 1593 1 3 . 1 1 93 93 ILE CB C 93 38.929 38.929 42.018 -3.089 18364 1594 1 3 . 1 1 93 93 ILE H H 93 9.313 9.313 9.188 0.125 18364 1595 1 3 . 1 1 94 94 GLY N N 94 111.893 111.893 111.448 0.445 18364 1596 1 3 . 1 1 94 94 GLY CA C 94 41.781 41.781 43.857 -2.076 18364 1597 1 3 . 1 1 94 94 GLY H H 94 8.577 8.577 8.642 -0.065 18364 1598 1 3 . 1 1 95 95 TYR N N 95 123.099 123.099 121.613 1.486 18364 1599 1 3 . 1 1 95 95 TYR HA H 95 5.399 5.399 5.531 -0.132 18364 1600 1 3 . 1 1 95 95 TYR CA C 95 54.052 54.052 56.597 -2.545 18364 1601 1 3 . 1 1 95 95 TYR CB C 95 41.285 41.285 43.596 -2.311 18364 1602 1 3 . 1 1 95 95 TYR H H 95 9.640 9.640 9.230 0.410 18364 1603 1 3 . 1 1 96 96 ILE N N 96 116.705 116.705 121.700 -4.995 18364 1604 1 3 . 1 1 96 96 ILE HA H 96 4.208 4.208 4.619 -0.411 18364 1605 1 3 . 1 1 96 96 ILE CA C 96 58.977 58.977 60.609 -1.632 18364 1606 1 3 . 1 1 96 96 ILE CB C 96 37.245 37.245 41.431 -4.186 18364 1607 1 3 . 1 1 96 96 ILE H H 96 8.270 8.270 8.986 -0.716 18364 1608 1 3 . 1 1 97 97 ASP N N 97 130.442 130.442 130.343 0.099 18364 1609 1 3 . 1 1 97 97 ASP HA H 97 4.165 4.165 4.201 -0.036 18364 1610 1 3 . 1 1 97 97 ASP CA C 97 53.736 53.736 55.562 -1.826 18364 1611 1 3 . 1 1 97 97 ASP CB C 97 36.870 36.870 40.271 -3.401 18364 1612 1 3 . 1 1 97 97 ASP H H 97 9.849 9.849 8.929 0.920 18364 1613 1 3 . 1 1 98 98 ASP N N 98 114.957 114.957 115.472 -0.515 18364 1614 1 3 . 1 1 98 98 ASP HA H 98 4.694 4.694 4.218 0.476 18364 1615 1 3 . 1 1 98 98 ASP CB C 98 36.266 36.266 40.602 -4.336 18364 1616 1 3 . 1 1 98 98 ASP H H 98 8.355 8.355 8.704 -0.349 18364 1617 1 3 . 1 1 99 99 LYS N N 99 121.680 121.680 117.600 4.080 18364 1618 1 3 . 1 1 99 99 LYS HA H 99 4.590 4.590 4.721 -0.131 18364 1619 1 3 . 1 1 99 99 LYS CA C 99 52.354 52.354 54.767 -2.413 18364 1620 1 3 . 1 1 99 99 LYS CB C 99 30.958 30.958 36.028 -5.070 18364 1621 1 3 . 1 1 99 99 LYS H H 99 8.049 8.049 7.628 0.421 18364 1622 1 3 . 1 1 100 100 GLU N N 100 127.574 127.574 122.417 5.157 18364 1623 1 3 . 1 1 100 100 GLU HA H 100 3.804 3.804 4.441 -0.637 18364 1624 1 3 . 1 1 100 100 GLU CA C 100 54.562 54.562 56.056 -1.494 18364 1625 1 3 . 1 1 100 100 GLU CB C 100 26.808 26.808 30.443 -3.635 18364 1626 1 3 . 1 1 100 100 GLU H H 100 8.839 8.839 8.588 0.251 18364 1627 1 3 . 1 1 101 101 VAL N N 101 120.606 120.606 121.192 -0.586 18364 1628 1 3 . 1 1 101 101 VAL HA H 101 4.534 4.534 4.508 0.026 18364 1629 1 3 . 1 1 101 101 VAL CA C 101 58.379 58.379 61.118 -2.739 18364 1630 1 3 . 1 1 101 101 VAL CB C 101 31.223 31.223 33.336 -2.113 18364 1631 1 3 . 1 1 101 101 VAL H H 101 8.997 8.997 8.921 0.076 18364 1632 1 3 . 1 1 102 102 ASN N N 102 118.568 118.568 118.166 0.402 18364 1633 1 3 . 1 1 102 102 ASN HA H 102 4.782 4.782 4.909 -0.127 18364 1634 1 3 . 1 1 102 102 ASN CA C 102 50.154 50.154 53.371 -3.217 18364 1635 1 3 . 1 1 102 102 ASN CB C 102 38.848 38.848 41.895 -3.047 18364 1636 1 3 . 1 1 102 102 ASN H H 102 7.598 7.598 7.599 -0.001 18364 1637 1 3 . 1 1 103 103 ARG N N 103 120.366 120.366 122.380 -2.014 18364 1638 1 3 . 1 1 103 103 ARG HA H 103 5.051 5.051 5.204 -0.153 18364 1639 1 3 . 1 1 103 103 ARG CA C 103 52.900 52.900 55.892 -2.992 18364 1640 1 3 . 1 1 103 103 ARG CB C 103 31.710 31.710 32.067 -0.357 18364 1641 1 3 . 1 1 103 103 ARG H H 103 8.155 8.155 8.405 -0.250 18364 1642 1 3 . 1 1 104 104 LEU N N 104 128.859 128.859 123.627 5.232 18364 1643 1 3 . 1 1 104 104 LEU HA H 104 4.553 4.553 5.078 -0.525 18364 1644 1 3 . 1 1 104 104 LEU CA C 104 51.272 51.272 53.675 -2.403 18364 1645 1 3 . 1 1 104 104 LEU CB C 104 43.549 43.549 45.654 -2.105 18364 1646 1 3 . 1 1 104 104 LEU H H 104 9.271 9.271 8.924 0.347 18364 1647 1 3 . 1 1 105 105 GLU N N 105 125.663 125.663 118.056 7.607 18364 1648 1 3 . 1 1 105 105 GLU HA H 105 5.179 5.179 5.216 -0.037 18364 1649 1 3 . 1 1 105 105 GLU CA C 105 51.966 51.966 55.190 -3.224 18364 1650 1 3 . 1 1 105 105 GLU CB C 105 29.358 29.358 32.778 -3.420 18364 1651 1 3 . 1 1 105 105 GLU H H 105 8.346 8.346 8.391 -0.045 18364 1652 1 3 . 1 1 106 106 LYS N N 106 123.659 123.659 120.207 3.452 18364 1653 1 3 . 1 1 106 106 LYS HA H 106 4.281 4.281 4.418 -0.138 18364 1654 1 3 . 1 1 106 106 LYS CA C 106 51.118 51.118 53.796 -2.678 18364 1655 1 3 . 1 1 106 106 LYS CB C 106 34.761 34.761 35.880 -1.119 18364 1656 1 3 . 1 1 106 106 LYS H H 106 8.526 8.526 8.886 -0.360 18364 1657 1 3 . 1 1 107 107 GLU N N 107 121.917 121.917 118.627 3.290 18364 1658 1 3 . 1 1 107 107 GLU HA H 107 4.949 4.949 4.746 0.203 18364 1659 1 3 . 1 1 107 107 GLU CA C 107 51.404 51.404 53.969 -2.565 18364 1660 1 3 . 1 1 107 107 GLU CB C 107 29.906 29.906 32.629 -2.723 18364 1661 1 3 . 1 1 107 107 GLU H H 107 7.773 7.773 7.963 -0.190 18364 1662 1 3 . 1 1 108 108 TYR N N 108 124.981 124.981 118.547 6.434 18364 1663 1 3 . 1 1 108 108 TYR HA H 108 4.720 4.720 4.829 -0.109 18364 1664 1 3 . 1 1 108 108 TYR CA C 108 54.188 54.188 56.794 -2.606 18364 1665 1 3 . 1 1 108 108 TYR CB C 108 39.101 39.101 42.803 -3.702 18364 1666 1 3 . 1 1 108 108 TYR H H 108 9.031 9.031 8.170 0.861 18364 1667 1 3 . 1 1 109 109 ILE N N 109 121.680 121.680 120.772 0.908 18364 1668 1 3 . 1 1 109 109 ILE HA H 109 5.471 5.471 5.196 0.275 18364 1669 1 3 . 1 1 109 109 ILE CA C 109 56.592 56.592 59.878 -3.286 18364 1670 1 3 . 1 1 109 109 ILE CB C 109 38.728 38.728 42.564 -3.836 18364 1671 1 3 . 1 1 109 109 ILE H H 109 8.475 8.475 8.480 -0.005 18364 1672 1 3 . 1 1 110 110 THR N N 110 117.537 117.537 117.021 0.516 18364 1673 1 3 . 1 1 110 110 THR HA H 110 4.521 4.521 4.452 0.069 18364 1674 1 3 . 1 1 110 110 THR CA C 110 59.337 59.337 61.840 -2.503 18364 1675 1 3 . 1 1 110 110 THR CB C 110 67.143 67.143 69.939 -2.796 18364 1676 1 3 . 1 1 110 110 THR H H 110 9.180 9.180 8.412 0.768 18364 1677 1 3 . 1 1 111 111 ASP N N 111 122.428 122.428 125.603 -3.175 18364 1678 1 3 . 1 1 111 111 ASP HA H 111 4.721 4.721 4.680 0.041 18364 1679 1 3 . 1 1 111 111 ASP CA C 111 50.135 50.135 53.170 -3.035 18364 1680 1 3 . 1 1 111 111 ASP CB C 111 39.613 39.613 40.580 -0.967 18364 1681 1 3 . 1 1 111 111 ASP H H 111 9.342 9.342 8.474 0.868 18364 1682 1 3 . 1 1 112 112 GLY N N 112 110.714 110.714 108.879 1.835 18364 1683 1 3 . 1 1 112 112 GLY CA C 112 43.084 43.084 45.147 -2.063 18364 1684 1 3 . 1 1 112 112 GLY H H 112 8.333 8.333 8.434 -0.101 18364 1685 1 3 . 1 1 113 113 ASN N N 113 119.462 119.462 117.194 2.268 18364 1686 1 3 . 1 1 113 113 ASN HA H 113 4.926 4.926 4.946 -0.020 18364 1687 1 3 . 1 1 113 113 ASN CA C 113 49.373 49.373 52.282 -2.909 18364 1688 1 3 . 1 1 113 113 ASN CB C 113 37.377 37.377 40.477 -3.100 18364 1689 1 3 . 1 1 113 113 ASN H H 113 8.210 8.210 7.946 0.264 18364 1690 1 3 . 1 1 114 114 THR N N 114 117.962 117.962 114.724 3.238 18364 1691 1 3 . 1 1 114 114 THR HA H 114 4.136 4.136 4.131 0.005 18364 1692 1 3 . 1 1 114 114 THR CA C 114 62.066 62.066 62.573 -0.507 18364 1693 1 3 . 1 1 114 114 THR CB C 114 66.489 66.489 68.949 -2.460 18364 1694 1 3 . 1 1 114 114 THR H H 114 8.436 8.436 8.392 0.044 18364 1695 1 3 . 1 1 115 115 LEU N N 115 132.998 132.998 128.553 4.445 18364 1696 1 3 . 1 1 115 115 LEU HA H 115 4.607 4.607 4.341 0.266 18364 1697 1 3 . 1 1 115 115 LEU CA C 115 52.335 52.335 55.703 -3.368 18364 1698 1 3 . 1 1 115 115 LEU CB C 115 41.546 41.546 42.946 -1.400 18364 1699 1 3 . 1 1 115 115 LEU H H 115 8.789 8.789 8.334 0.455 18364 1700 1 3 . 1 1 116 116 ILE N N 116 126.586 126.586 123.325 3.261 18364 1701 1 3 . 1 1 116 116 ILE HA H 116 4.784 4.784 4.989 -0.205 18364 1702 1 3 . 1 1 116 116 ILE CA C 116 58.270 58.270 60.037 -1.767 18364 1703 1 3 . 1 1 116 116 ILE CB C 116 37.909 37.909 42.183 -4.274 18364 1704 1 3 . 1 1 116 116 ILE H H 116 8.637 8.637 8.116 0.521 18364 1705 1 3 . 1 1 117 117 GLU N N 117 127.084 127.084 124.461 2.623 18364 1706 1 3 . 1 1 117 117 GLU HA H 117 4.830 4.830 4.831 -0.001 18364 1707 1 3 . 1 1 117 117 GLU CA C 117 51.847 51.847 54.783 -2.936 18364 1708 1 3 . 1 1 117 117 GLU CB C 117 32.299 32.299 34.754 -2.455 18364 1709 1 3 . 1 1 117 117 GLU H H 117 8.933 8.933 8.976 -0.043 18364 1710 1 3 . 1 1 118 118 THR N N 118 110.826 110.826 112.038 -1.212 18364 1711 1 3 . 1 1 118 118 THR HA H 118 5.190 5.190 4.433 0.757 18364 1712 1 3 . 1 1 118 118 THR CA C 118 57.036 57.036 60.254 -3.217 18364 1713 1 3 . 1 1 118 118 THR CB C 118 69.888 69.888 70.345 -0.457 18364 1714 1 3 . 1 1 118 118 THR H H 118 8.664 8.664 8.368 0.296 18364 1715 1 3 . 1 1 119 119 PHE N N 119 115.915 115.915 117.965 -2.050 18364 1716 1 3 . 1 1 119 119 PHE HA H 119 4.999 4.999 4.990 0.009 18364 1717 1 3 . 1 1 119 119 PHE CA C 119 53.804 53.804 56.888 -3.084 18364 1718 1 3 . 1 1 119 119 PHE CB C 119 39.787 39.787 40.906 -1.119 18364 1719 1 3 . 1 1 119 119 PHE H H 119 8.087 8.087 7.603 0.484 18364 1720 1 3 . 1 1 120 120 SER N N 120 114.953 114.953 115.198 -0.245 18364 1721 1 3 . 1 1 120 120 SER HA H 120 5.383 5.383 5.246 0.137 18364 1722 1 3 . 1 1 120 120 SER CA C 120 55.192 55.192 57.890 -2.698 18364 1723 1 3 . 1 1 120 120 SER CB C 120 62.113 62.113 65.056 -2.943 18364 1724 1 3 . 1 1 120 120 SER H H 120 8.627 8.627 8.610 0.017 18364 1725 1 3 . 1 1 121 121 VAL N N 121 124.122 124.122 125.758 -1.636 18364 1726 1 3 . 1 1 121 121 VAL HA H 121 4.349 4.349 4.514 -0.165 18364 1727 1 3 . 1 1 121 121 VAL CA C 121 59.005 59.005 61.896 -2.891 18364 1728 1 3 . 1 1 121 121 VAL CB C 121 34.127 34.127 34.763 -0.636 18364 1729 1 3 . 1 1 121 121 VAL H H 121 8.866 8.866 8.424 0.442 18364 1730 1 3 . 1 1 122 122 SER N N 122 119.703 119.703 121.295 -1.592 18364 1731 1 3 . 1 1 122 122 SER HA H 122 5.598 5.598 5.344 0.254 18364 1732 1 3 . 1 1 122 122 SER CA C 122 53.065 53.065 57.275 -4.210 18364 1733 1 3 . 1 1 122 122 SER CB C 122 63.442 63.442 64.999 -1.557 18364 1734 1 3 . 1 1 122 122 SER H H 122 8.334 8.334 8.532 -0.198 18364 1735 1 3 . 1 1 123 123 THR N N 123 113.276 113.276 113.698 -0.422 18364 1736 1 3 . 1 1 123 123 THR HA H 123 4.093 4.093 4.481 -0.388 18364 1737 1 3 . 1 1 123 123 THR CA C 123 60.143 60.143 62.346 -2.203 18364 1738 1 3 . 1 1 123 123 THR CB C 123 64.437 64.437 69.415 -4.978 18364 1739 1 3 . 1 1 123 123 THR H H 123 8.898 8.898 8.915 -0.017 18364 1740 1 3 . 1 1 124 124 LYS N N 124 119.191 119.191 120.456 -1.265 18364 1741 1 3 . 1 1 124 124 LYS HA H 124 4.324 4.324 4.564 -0.240 18364 1742 1 3 . 1 1 124 124 LYS CA C 124 53.486 53.486 56.513 -3.027 18364 1743 1 3 . 1 1 124 124 LYS CB C 124 32.376 32.376 35.230 -2.854 18364 1744 1 3 . 1 1 124 124 LYS H H 124 7.569 7.569 8.015 -0.446 18364 1745 1 3 . 1 1 125 125 GLU N N 125 124.243 124.243 125.873 -1.630 18364 1746 1 3 . 1 1 125 125 GLU HA H 125 4.255 4.255 4.901 -0.646 18364 1747 1 3 . 1 1 125 125 GLU CA C 125 53.830 53.830 55.369 -1.539 18364 1748 1 3 . 1 1 125 125 GLU CB C 125 27.674 27.674 32.227 -4.553 18364 1749 1 3 . 1 1 125 125 GLU H H 125 8.359 8.359 8.538 -0.179 18364 1750 1 4 . 1 1 2 2 ALA CA C 2 50.698 50.698 52.710 -2.012 18364 1751 1 4 . 1 1 2 2 ALA CB C 2 16.688 16.688 19.928 -3.240 18364 1752 1 4 . 1 1 3 3 SER N N 3 113.663 113.663 115.021 -1.358 18364 1753 1 4 . 1 1 3 3 SER HA H 3 4.296 4.296 4.590 -0.294 18364 1754 1 4 . 1 1 3 3 SER CA C 3 55.573 55.573 58.182 -2.609 18364 1755 1 4 . 1 1 3 3 SER CB C 3 60.888 60.888 64.367 -3.479 18364 1756 1 4 . 1 1 3 3 SER H H 3 8.301 8.301 8.225 0.076 18364 1757 1 4 . 1 1 4 4 ASP N N 4 121.532 121.532 122.978 -1.446 18364 1758 1 4 . 1 1 4 4 ASP HA H 4 4.394 4.394 4.749 -0.355 18364 1759 1 4 . 1 1 4 4 ASP CA C 4 51.748 51.748 54.497 -2.749 18364 1760 1 4 . 1 1 4 4 ASP CB C 4 38.614 38.614 41.510 -2.896 18364 1761 1 4 . 1 1 4 4 ASP H H 4 7.874 7.874 8.294 -0.420 18364 1762 1 4 . 1 1 5 5 PHE N N 5 119.126 119.126 120.249 -1.123 18364 1763 1 4 . 1 1 5 5 PHE HA H 5 4.535 4.535 4.815 -0.280 18364 1764 1 4 . 1 1 5 5 PHE CA C 5 54.589 54.589 56.536 -1.947 18364 1765 1 4 . 1 1 5 5 PHE CB C 5 37.079 37.079 40.635 -3.556 18364 1766 1 4 . 1 1 5 5 PHE H H 5 7.832 7.832 7.849 -0.017 18364 1767 1 4 . 1 1 6 6 GLN N N 6 122.092 122.092 124.233 -2.141 18364 1768 1 4 . 1 1 6 6 GLN HA H 6 4.417 4.417 4.805 -0.388 18364 1769 1 4 . 1 1 6 6 GLN CA C 6 53.128 53.128 55.352 -2.224 18364 1770 1 4 . 1 1 6 6 GLN CB C 6 27.477 27.477 28.821 -1.344 18364 1771 1 4 . 1 1 6 6 GLN H H 6 8.447 8.447 8.893 -0.446 18364 1772 1 4 . 1 1 7 7 THR N N 7 114.717 114.717 113.562 1.155 18364 1773 1 4 . 1 1 7 7 THR HA H 7 5.035 5.035 4.666 0.369 18364 1774 1 4 . 1 1 7 7 THR CA C 7 57.906 57.906 60.501 -2.595 18364 1775 1 4 . 1 1 7 7 THR CB C 7 68.370 68.370 70.498 -2.128 18364 1776 1 4 . 1 1 7 7 THR H H 7 8.145 8.145 8.113 0.032 18364 1777 1 4 . 1 1 8 8 GLY N N 8 111.628 111.628 108.076 3.552 18364 1778 1 4 . 1 1 8 8 GLY CA C 8 43.774 43.774 45.688 -1.914 18364 1779 1 4 . 1 1 8 8 GLY H H 8 9.234 9.234 8.389 0.845 18364 1780 1 4 . 1 1 9 9 ILE N N 9 119.585 119.585 121.212 -1.627 18364 1781 1 4 . 1 1 9 9 ILE HA H 9 3.934 3.934 4.541 -0.607 18364 1782 1 4 . 1 1 9 9 ILE CA C 9 58.907 58.907 59.888 -0.981 18364 1783 1 4 . 1 1 9 9 ILE CB C 9 35.738 35.738 41.301 -5.563 18364 1784 1 4 . 1 1 9 9 ILE H H 9 8.603 8.603 7.869 0.734 18364 1785 1 4 . 1 1 10 10 HIS N N 10 133.616 133.616 123.535 10.081 18364 1786 1 4 . 1 1 10 10 HIS HA H 10 5.185 5.185 5.348 -0.163 18364 1787 1 4 . 1 1 10 10 HIS CA C 10 53.587 53.587 54.638 -1.051 18364 1788 1 4 . 1 1 10 10 HIS CB C 10 30.817 30.817 32.230 -1.413 18364 1789 1 4 . 1 1 10 10 HIS H H 10 8.599 8.599 8.240 0.359 18364 1790 1 4 . 1 1 11 11 LYS N N 11 122.949 122.949 120.213 2.736 18364 1791 1 4 . 1 1 11 11 LYS HA H 11 5.236 5.236 5.073 0.163 18364 1792 1 4 . 1 1 11 11 LYS CA C 11 52.748 52.748 55.366 -2.618 18364 1793 1 4 . 1 1 11 11 LYS CB C 11 35.137 35.137 36.878 -1.741 18364 1794 1 4 . 1 1 11 11 LYS H H 11 8.775 8.775 8.338 0.437 18364 1795 1 4 . 1 1 12 12 ILE N N 12 125.260 125.260 122.583 2.677 18364 1796 1 4 . 1 1 12 12 ILE HA H 12 5.273 5.273 5.085 0.188 18364 1797 1 4 . 1 1 12 12 ILE CA C 12 55.780 55.780 58.822 -3.042 18364 1798 1 4 . 1 1 12 12 ILE CB C 12 38.767 38.767 42.584 -3.817 18364 1799 1 4 . 1 1 12 12 ILE H H 12 8.578 8.578 8.927 -0.349 18364 1800 1 4 . 1 1 13 13 VAL N N 13 126.515 126.515 125.758 0.757 18364 1801 1 4 . 1 1 13 13 VAL HA H 13 4.795 4.795 4.836 -0.041 18364 1802 1 4 . 1 1 13 13 VAL CA C 13 58.115 58.115 60.946 -2.831 18364 1803 1 4 . 1 1 13 13 VAL CB C 13 32.948 32.948 34.889 -1.941 18364 1804 1 4 . 1 1 13 13 VAL H H 13 9.052 9.052 9.111 -0.059 18364 1805 1 4 . 1 1 14 14 ILE N N 14 125.803 125.803 125.453 0.350 18364 1806 1 4 . 1 1 14 14 ILE HA H 14 5.008 5.008 5.141 -0.133 18364 1807 1 4 . 1 1 14 14 ILE CA C 14 57.539 57.539 59.540 -2.001 18364 1808 1 4 . 1 1 14 14 ILE CB C 14 38.656 38.656 41.885 -3.228 18364 1809 1 4 . 1 1 14 14 ILE H H 14 8.974 8.974 9.004 -0.030 18364 1810 1 4 . 1 1 15 15 GLN N N 15 125.773 125.773 120.602 5.171 18364 1811 1 4 . 1 1 15 15 GLN HA H 15 5.433 5.433 5.340 0.093 18364 1812 1 4 . 1 1 15 15 GLN CA C 15 51.002 51.002 54.136 -3.134 18364 1813 1 4 . 1 1 15 15 GLN CB C 15 29.637 29.637 33.689 -4.052 18364 1814 1 4 . 1 1 15 15 GLN H H 15 9.244 9.244 8.944 0.300 18364 1815 1 4 . 1 1 16 16 GLN N N 16 119.832 119.832 118.111 1.721 18364 1816 1 4 . 1 1 16 16 GLN HA H 16 5.741 5.741 5.374 0.367 18364 1817 1 4 . 1 1 16 16 GLN CA C 16 50.572 50.572 54.105 -3.533 18364 1818 1 4 . 1 1 16 16 GLN CB C 16 30.039 30.039 32.410 -2.372 18364 1819 1 4 . 1 1 16 16 GLN H H 16 8.964 8.964 8.414 0.550 18364 1820 1 4 . 1 1 17 17 SER N N 17 115.201 115.201 115.383 -0.182 18364 1821 1 4 . 1 1 17 17 SER HA H 17 4.526 4.526 4.769 -0.242 18364 1822 1 4 . 1 1 17 17 SER CA C 17 54.831 54.831 57.870 -3.039 18364 1823 1 4 . 1 1 17 17 SER CB C 17 62.930 62.930 66.551 -3.621 18364 1824 1 4 . 1 1 17 17 SER H H 17 8.770 8.770 8.917 -0.147 18364 1825 1 4 . 1 1 18 18 GLY N N 18 109.321 109.321 109.829 -0.508 18364 1826 1 4 . 1 1 18 18 GLY CA C 18 41.737 41.737 44.828 -3.091 18364 1827 1 4 . 1 1 18 18 GLY H H 18 8.798 8.798 8.238 0.560 18364 1828 1 4 . 1 1 19 19 ASP N N 19 128.121 128.121 124.916 3.205 18364 1829 1 4 . 1 1 19 19 ASP HA H 19 5.071 5.071 4.745 0.326 18364 1830 1 4 . 1 1 19 19 ASP CA C 19 51.251 51.251 53.814 -2.563 18364 1831 1 4 . 1 1 19 19 ASP CB C 19 37.872 37.872 40.163 -2.291 18364 1832 1 4 . 1 1 19 19 ASP H H 19 9.708 9.708 8.415 1.293 18364 1833 1 4 . 1 1 20 20 THR N N 20 111.610 111.610 115.883 -4.273 18364 1834 1 4 . 1 1 20 20 THR HA H 20 3.615 3.615 4.494 -0.879 18364 1835 1 4 . 1 1 20 20 THR CA C 20 63.331 63.331 62.892 0.439 18364 1836 1 4 . 1 1 20 20 THR CB C 20 64.873 64.873 67.998 -3.124 18364 1837 1 4 . 1 1 20 20 THR H H 20 8.136 8.136 8.302 -0.166 18364 1838 1 4 . 1 1 21 21 ASP N N 21 118.304 118.304 121.215 -2.911 18364 1839 1 4 . 1 1 21 21 ASP HA H 21 4.639 4.639 4.884 -0.245 18364 1840 1 4 . 1 1 21 21 ASP CA C 21 52.945 52.945 54.521 -1.576 18364 1841 1 4 . 1 1 21 21 ASP CB C 21 37.785 37.785 43.079 -5.294 18364 1842 1 4 . 1 1 21 21 ASP H H 21 8.566 8.566 8.410 0.156 18364 1843 1 4 . 1 1 22 22 SER N N 22 114.253 114.253 114.587 -0.334 18364 1844 1 4 . 1 1 22 22 SER HA H 22 4.384 4.384 4.556 -0.172 18364 1845 1 4 . 1 1 22 22 SER CA C 22 57.170 57.170 58.182 -1.012 18364 1846 1 4 . 1 1 22 22 SER CB C 22 61.441 61.441 64.533 -3.092 18364 1847 1 4 . 1 1 22 22 SER H H 22 8.076 8.076 7.780 0.296 18364 1848 1 4 . 1 1 23 23 PHE N N 23 119.853 119.853 120.669 -0.816 18364 1849 1 4 . 1 1 23 23 PHE HA H 23 5.010 5.010 4.835 0.175 18364 1850 1 4 . 1 1 23 23 PHE CA C 23 53.272 53.272 55.955 -2.683 18364 1851 1 4 . 1 1 23 23 PHE CB C 23 42.021 42.021 40.181 1.840 18364 1852 1 4 . 1 1 23 23 PHE H H 23 7.611 7.611 7.532 0.079 18364 1853 1 4 . 1 1 24 24 GLU N N 24 119.255 119.255 117.942 1.313 18364 1854 1 4 . 1 1 24 24 GLU HA H 24 4.571 4.571 4.569 0.002 18364 1855 1 4 . 1 1 24 24 GLU CA C 24 52.642 52.642 54.932 -2.291 18364 1856 1 4 . 1 1 24 24 GLU CB C 24 28.881 28.881 31.572 -2.691 18364 1857 1 4 . 1 1 24 24 GLU H H 24 8.958 8.958 8.537 0.421 18364 1858 1 4 . 1 1 25 25 VAL N N 25 130.637 130.637 126.609 4.028 18364 1859 1 4 . 1 1 25 25 VAL HA H 25 4.859 4.859 4.863 -0.004 18364 1860 1 4 . 1 1 25 25 VAL CA C 25 58.548 58.548 61.488 -2.940 18364 1861 1 4 . 1 1 25 25 VAL CB C 25 30.439 30.439 33.806 -3.367 18364 1862 1 4 . 1 1 25 25 VAL H H 25 9.678 9.678 8.954 0.724 18364 1863 1 4 . 1 1 26 26 SER N N 26 122.555 122.555 123.966 -1.411 18364 1864 1 4 . 1 1 26 26 SER HA H 26 5.289 5.289 5.257 0.032 18364 1865 1 4 . 1 1 26 26 SER CA C 26 54.088 54.088 57.472 -3.384 18364 1866 1 4 . 1 1 26 26 SER CB C 26 62.476 62.476 64.303 -1.827 18364 1867 1 4 . 1 1 26 26 SER H H 26 8.883 8.883 9.089 -0.206 18364 1868 1 4 . 1 1 27 27 VAL N N 27 113.682 113.682 121.875 -8.193 18364 1869 1 4 . 1 1 27 27 VAL HA H 27 5.269 5.269 4.324 0.945 18364 1870 1 4 . 1 1 27 27 VAL CA C 27 56.005 56.005 60.142 -4.136 18364 1871 1 4 . 1 1 27 27 VAL CB C 27 34.158 34.158 32.444 1.714 18364 1872 1 4 . 1 1 27 27 VAL H H 27 8.493 8.493 8.660 -0.167 18364 1873 1 4 . 1 1 28 28 SER N N 28 116.852 116.852 120.814 -3.962 18364 1874 1 4 . 1 1 28 28 SER HA H 28 5.410 5.410 4.923 0.487 18364 1875 1 4 . 1 1 28 28 SER CA C 28 54.633 54.633 59.256 -4.623 18364 1876 1 4 . 1 1 28 28 SER CB C 28 62.095 62.095 64.142 -2.047 18364 1877 1 4 . 1 1 28 28 SER H H 28 8.709 8.709 8.570 0.139 18364 1878 1 4 . 1 1 29 29 ILE N N 29 128.765 128.765 122.968 5.797 18364 1879 1 4 . 1 1 29 29 ILE HA H 29 5.224 5.224 4.649 0.575 18364 1880 1 4 . 1 1 29 29 ILE CA C 29 57.247 57.247 60.121 -2.874 18364 1881 1 4 . 1 1 29 29 ILE CB C 29 39.144 39.144 40.950 -1.806 18364 1882 1 4 . 1 1 29 29 ILE H H 29 9.631 9.631 8.329 1.302 18364 1883 1 4 . 1 1 30 30 GLY N N 30 112.478 112.478 113.067 -0.589 18364 1884 1 4 . 1 1 30 30 GLY CA C 30 42.140 42.140 44.513 -2.373 18364 1885 1 4 . 1 1 30 30 GLY H H 30 8.095 8.095 7.985 0.110 18364 1886 1 4 . 1 1 31 31 GLY N N 31 108.502 108.502 104.908 3.594 18364 1887 1 4 . 1 1 31 31 GLY CA C 31 43.201 43.201 45.100 -1.899 18364 1888 1 4 . 1 1 31 31 GLY H H 31 9.755 9.755 7.791 1.964 18364 1889 1 4 . 1 1 32 32 ALA N N 32 122.020 122.020 120.471 1.549 18364 1890 1 4 . 1 1 32 32 ALA HA H 32 4.967 4.967 5.175 -0.208 18364 1891 1 4 . 1 1 32 32 ALA CA C 32 48.540 48.540 50.590 -2.050 18364 1892 1 4 . 1 1 32 32 ALA CB C 32 21.078 21.078 22.988 -1.910 18364 1893 1 4 . 1 1 32 32 ALA H H 32 7.338 7.338 7.348 -0.010 18364 1894 1 4 . 1 1 33 33 ASP N N 33 121.217 121.217 118.722 2.495 18364 1895 1 4 . 1 1 33 33 ASP HA H 33 3.680 3.680 4.937 -1.257 18364 1896 1 4 . 1 1 33 33 ASP CA C 33 49.520 49.520 52.955 -3.434 18364 1897 1 4 . 1 1 33 33 ASP CB C 33 40.840 40.840 44.429 -3.589 18364 1898 1 4 . 1 1 33 33 ASP H H 33 8.945 8.945 9.225 -0.280 18364 1899 1 4 . 1 1 34 34 LYS N N 34 117.693 117.693 121.521 -3.828 18364 1900 1 4 . 1 1 34 34 LYS HA H 34 4.017 4.017 4.308 -0.291 18364 1901 1 4 . 1 1 34 34 LYS CA C 34 56.700 56.700 56.230 0.470 18364 1902 1 4 . 1 1 34 34 LYS CB C 34 29.772 29.772 31.129 -1.357 18364 1903 1 4 . 1 1 34 34 LYS H H 34 8.200 8.200 8.645 -0.445 18364 1904 1 4 . 1 1 35 35 GLY N N 35 106.697 106.697 112.400 -5.703 18364 1905 1 4 . 1 1 35 35 GLY CA C 35 42.719 42.719 44.560 -1.841 18364 1906 1 4 . 1 1 35 35 GLY H H 35 8.653 8.653 8.274 0.379 18364 1907 1 4 . 1 1 36 36 GLY N N 36 110.824 110.824 107.705 3.119 18364 1908 1 4 . 1 1 36 36 GLY CA C 36 41.099 41.099 44.987 -3.888 18364 1909 1 4 . 1 1 36 36 GLY H H 36 7.601 7.601 7.651 -0.050 18364 1910 1 4 . 1 1 37 37 PRO HA H 37 4.571 4.571 4.580 -0.009 18364 1911 1 4 . 1 1 37 37 PRO CA C 37 60.012 60.012 62.392 -2.380 18364 1912 1 4 . 1 1 37 37 PRO CB C 37 29.470 29.470 32.297 -2.828 18364 1913 1 4 . 1 1 38 38 ALA N N 38 127.841 127.841 127.814 0.027 18364 1914 1 4 . 1 1 38 38 ALA HA H 38 4.127 4.127 4.497 -0.370 18364 1915 1 4 . 1 1 38 38 ALA CA C 38 48.117 48.117 51.559 -3.442 18364 1916 1 4 . 1 1 38 38 ALA CB C 38 16.655 16.655 19.881 -3.227 18364 1917 1 4 . 1 1 38 38 ALA H H 38 7.486 7.486 8.397 -0.911 18364 1918 1 4 . 1 1 39 39 LYS N N 39 121.148 121.148 124.217 -3.069 18364 1919 1 4 . 1 1 39 39 LYS HA H 39 4.115 4.115 4.342 -0.227 18364 1920 1 4 . 1 1 39 39 LYS CA C 39 55.674 55.674 57.179 -1.505 18364 1921 1 4 . 1 1 39 39 LYS CB C 39 31.223 31.223 32.280 -1.057 18364 1922 1 4 . 1 1 39 39 LYS H H 39 8.042 8.042 8.502 -0.460 18364 1923 1 4 . 1 1 40 40 LEU N N 40 118.817 118.817 124.186 -5.369 18364 1924 1 4 . 1 1 40 40 LEU HA H 40 5.122 5.122 4.913 0.209 18364 1925 1 4 . 1 1 40 40 LEU CA C 40 50.156 50.156 54.156 -4.000 18364 1926 1 4 . 1 1 40 40 LEU CB C 40 42.172 42.172 43.832 -1.660 18364 1927 1 4 . 1 1 40 40 LEU H H 40 7.901 7.901 8.701 -0.800 18364 1928 1 4 . 1 1 41 41 TYR N N 41 117.843 117.843 117.983 -0.140 18364 1929 1 4 . 1 1 41 41 TYR HA H 41 5.303 5.303 5.230 0.073 18364 1930 1 4 . 1 1 41 41 TYR CA C 41 53.394 53.394 56.708 -3.314 18364 1931 1 4 . 1 1 41 41 TYR CB C 41 39.419 39.419 41.529 -2.110 18364 1932 1 4 . 1 1 41 41 TYR H H 41 9.109 9.109 9.268 -0.159 18364 1933 1 4 . 1 1 42 42 ASN N N 42 117.689 117.689 120.934 -3.245 18364 1934 1 4 . 1 1 42 42 ASN HA H 42 4.984 4.984 4.697 0.287 18364 1935 1 4 . 1 1 42 42 ASN CA C 42 48.001 48.001 52.935 -4.934 18364 1936 1 4 . 1 1 42 42 ASN CB C 42 36.514 36.514 39.836 -3.322 18364 1937 1 4 . 1 1 42 42 ASN H H 42 8.239 8.239 8.311 -0.072 18364 1938 1 4 . 1 1 43 43 ASP N N 43 116.760 116.760 116.205 0.555 18364 1939 1 4 . 1 1 43 43 ASP HA H 43 4.170 4.170 4.626 -0.456 18364 1940 1 4 . 1 1 43 43 ASP CA C 43 53.123 53.123 55.089 -1.966 18364 1941 1 4 . 1 1 43 43 ASP CB C 43 37.355 37.355 40.274 -2.919 18364 1942 1 4 . 1 1 43 43 ASP H H 43 8.650 8.650 8.631 0.019 18364 1943 1 4 . 1 1 44 44 LYS N N 44 118.108 118.108 119.668 -1.560 18364 1944 1 4 . 1 1 44 44 LYS HA H 44 4.359 4.359 4.451 -0.092 18364 1945 1 4 . 1 1 44 44 LYS CA C 44 52.676 52.676 55.823 -3.147 18364 1946 1 4 . 1 1 44 44 LYS CB C 44 30.170 30.170 32.746 -2.576 18364 1947 1 4 . 1 1 44 44 LYS H H 44 7.505 7.505 7.635 -0.130 18364 1948 1 4 . 1 1 45 45 GLY N N 45 108.163 108.163 108.050 0.113 18364 1949 1 4 . 1 1 45 45 GLY CA C 45 42.988 42.988 45.717 -2.729 18364 1950 1 4 . 1 1 45 45 GLY H H 45 8.117 8.117 8.438 -0.321 18364 1951 1 4 . 1 1 46 46 GLU N N 46 120.173 120.173 119.305 0.868 18364 1952 1 4 . 1 1 46 46 GLU HA H 46 4.345 4.345 4.612 -0.267 18364 1953 1 4 . 1 1 46 46 GLU CA C 46 52.409 52.409 54.345 -1.936 18364 1954 1 4 . 1 1 46 46 GLU CB C 46 27.408 27.408 31.345 -3.937 18364 1955 1 4 . 1 1 46 46 GLU H H 46 7.884 7.884 8.228 -0.344 18364 1956 1 4 . 1 1 47 47 TYR N N 47 123.803 123.803 120.165 3.638 18364 1957 1 4 . 1 1 47 47 TYR HA H 47 4.351 4.351 4.323 0.028 18364 1958 1 4 . 1 1 47 47 TYR CA C 47 54.317 54.317 56.828 -2.511 18364 1959 1 4 . 1 1 47 47 TYR CB C 47 35.858 35.858 39.637 -3.779 18364 1960 1 4 . 1 1 47 47 TYR H H 47 8.710 8.710 8.668 0.042 18364 1961 1 4 . 1 1 48 48 ILE N N 48 123.458 123.458 116.841 6.617 18364 1962 1 4 . 1 1 48 48 ILE HA H 48 4.173 4.173 4.051 0.122 18364 1963 1 4 . 1 1 48 48 ILE CA C 48 58.314 58.314 60.410 -2.096 18364 1964 1 4 . 1 1 48 48 ILE CB C 48 36.129 36.129 38.351 -2.222 18364 1965 1 4 . 1 1 48 48 ILE H H 48 8.416 8.416 7.792 0.624 18364 1966 1 4 . 1 1 49 49 GLY N N 49 107.257 107.257 110.026 -2.769 18364 1967 1 4 . 1 1 49 49 GLY CA C 49 41.367 41.367 44.806 -3.439 18364 1968 1 4 . 1 1 49 49 GLY H H 49 5.472 5.472 7.759 -2.287 18364 1969 1 4 . 1 1 50 50 ASP N N 50 116.887 116.887 115.598 1.289 18364 1970 1 4 . 1 1 50 50 ASP HA H 50 5.043 5.043 5.018 0.025 18364 1971 1 4 . 1 1 50 50 ASP CA C 50 50.588 50.588 53.583 -2.995 18364 1972 1 4 . 1 1 50 50 ASP CB C 50 37.448 37.448 42.962 -5.514 18364 1973 1 4 . 1 1 50 50 ASP H H 50 8.234 8.234 8.566 -0.332 18364 1974 1 4 . 1 1 51 51 SER N N 51 112.664 112.664 113.491 -0.827 18364 1975 1 4 . 1 1 51 51 SER HA H 51 4.439 4.439 5.257 -0.818 18364 1976 1 4 . 1 1 51 51 SER CA C 51 55.489 55.489 57.812 -2.323 18364 1977 1 4 . 1 1 51 51 SER CB C 51 61.559 61.559 65.392 -3.833 18364 1978 1 4 . 1 1 51 51 SER H H 51 7.689 7.689 7.661 0.028 18364 1979 1 4 . 1 1 52 52 TYR N N 52 122.672 122.672 119.982 2.690 18364 1980 1 4 . 1 1 52 52 TYR HA H 52 4.732 4.732 4.787 -0.055 18364 1981 1 4 . 1 1 52 52 TYR CA C 52 55.168 55.168 57.536 -2.368 18364 1982 1 4 . 1 1 52 52 TYR CB C 52 38.599 38.599 38.515 0.084 18364 1983 1 4 . 1 1 52 52 TYR H H 52 8.231 8.231 7.865 0.366 18364 1984 1 4 . 1 1 53 53 SER N N 53 123.803 123.803 116.400 7.403 18364 1985 1 4 . 1 1 53 53 SER HA H 53 5.429 5.429 5.566 -0.137 18364 1986 1 4 . 1 1 53 53 SER CA C 53 53.508 53.508 56.984 -3.476 18364 1987 1 4 . 1 1 53 53 SER CB C 53 61.674 61.674 66.747 -5.073 18364 1988 1 4 . 1 1 53 53 SER H H 53 8.008 8.008 8.610 -0.602 18364 1989 1 4 . 1 1 54 54 ALA N N 54 125.516 125.516 122.222 3.294 18364 1990 1 4 . 1 1 54 54 ALA HA H 54 4.289 4.289 4.694 -0.405 18364 1991 1 4 . 1 1 54 54 ALA CA C 54 49.097 49.097 51.606 -2.509 18364 1992 1 4 . 1 1 54 54 ALA CB C 54 20.259 20.259 21.618 -1.359 18364 1993 1 4 . 1 1 54 54 ALA H H 54 8.089 8.089 8.801 -0.712 18364 1994 1 4 . 1 1 55 55 GLN N N 55 118.838 118.838 124.441 -5.603 18364 1995 1 4 . 1 1 55 55 GLN HA H 55 4.975 4.975 5.064 -0.089 18364 1996 1 4 . 1 1 55 55 GLN CA C 55 52.306 52.306 54.891 -2.585 18364 1997 1 4 . 1 1 55 55 GLN CB C 55 26.138 26.138 30.063 -3.925 18364 1998 1 4 . 1 1 55 55 GLN H H 55 8.100 8.100 8.701 -0.601 18364 1999 1 4 . 1 1 56 56 ILE N N 56 124.748 124.748 128.264 -3.516 18364 2000 1 4 . 1 1 56 56 ILE HA H 56 4.246 4.246 4.129 0.117 18364 2001 1 4 . 1 1 56 56 ILE CA C 56 57.529 57.529 60.755 -3.226 18364 2002 1 4 . 1 1 56 56 ILE CB C 56 34.915 34.915 35.050 -0.135 18364 2003 1 4 . 1 1 56 56 ILE H H 56 8.910 8.910 8.652 0.258 18364 2004 1 4 . 1 1 57 57 ARG N N 57 127.183 127.183 123.407 3.776 18364 2005 1 4 . 1 1 57 57 ARG HA H 57 4.777 4.777 4.693 0.084 18364 2006 1 4 . 1 1 57 57 ARG CA C 57 52.455 52.455 55.631 -3.176 18364 2007 1 4 . 1 1 57 57 ARG CB C 57 28.839 28.839 30.437 -1.598 18364 2008 1 4 . 1 1 57 57 ARG H H 57 8.979 8.979 8.133 0.846 18364 2009 1 4 . 1 1 58 58 THR N N 58 109.995 109.995 108.571 1.424 18364 2010 1 4 . 1 1 58 58 THR HA H 58 4.529 4.529 4.674 -0.145 18364 2011 1 4 . 1 1 58 58 THR CA C 58 57.124 57.124 59.650 -2.526 18364 2012 1 4 . 1 1 58 58 THR CB C 58 68.143 68.143 71.222 -3.079 18364 2013 1 4 . 1 1 58 58 THR H H 58 7.150 7.150 7.362 -0.212 18364 2014 1 4 . 1 1 59 59 ALA N N 59 123.143 123.143 122.506 0.637 18364 2015 1 4 . 1 1 59 59 ALA HA H 59 4.167 4.167 4.187 -0.020 18364 2016 1 4 . 1 1 59 59 ALA CA C 59 52.603 52.603 53.994 -1.391 18364 2017 1 4 . 1 1 59 59 ALA CB C 59 16.910 16.910 18.907 -1.996 18364 2018 1 4 . 1 1 59 59 ALA H H 59 8.531 8.531 8.508 0.023 18364 2019 1 4 . 1 1 60 60 THR N N 60 105.988 105.988 107.488 -1.500 18364 2020 1 4 . 1 1 60 60 THR HA H 60 5.471 5.471 5.111 0.360 18364 2021 1 4 . 1 1 60 60 THR CA C 60 56.904 56.904 60.629 -3.725 18364 2022 1 4 . 1 1 60 60 THR CB C 60 69.111 69.111 71.385 -2.274 18364 2023 1 4 . 1 1 60 60 THR H H 60 7.521 7.521 7.583 -0.062 18364 2024 1 4 . 1 1 61 61 MET N N 61 124.706 124.706 122.283 2.423 18364 2025 1 4 . 1 1 61 61 MET HA H 61 4.641 4.641 5.037 -0.396 18364 2026 1 4 . 1 1 61 61 MET CA C 61 52.883 52.883 53.852 -0.969 18364 2027 1 4 . 1 1 61 61 MET CB C 61 32.345 32.345 37.359 -5.014 18364 2028 1 4 . 1 1 61 61 MET H H 61 8.758 8.758 9.372 -0.614 18364 2029 1 4 . 1 1 62 62 SER N N 62 117.004 117.004 115.761 1.243 18364 2030 1 4 . 1 1 62 62 SER HA H 62 5.551 5.551 5.159 0.392 18364 2031 1 4 . 1 1 62 62 SER CA C 62 54.255 54.255 57.940 -3.685 18364 2032 1 4 . 1 1 62 62 SER CB C 62 64.130 64.130 65.529 -1.399 18364 2033 1 4 . 1 1 62 62 SER H H 62 8.164 8.164 8.533 -0.369 18364 2034 1 4 . 1 1 63 63 CYS N N 63 120.270 120.270 119.280 0.990 18364 2035 1 4 . 1 1 63 63 CYS HA H 63 5.075 5.075 5.198 -0.123 18364 2036 1 4 . 1 1 63 63 CYS CA C 63 54.676 54.676 57.431 -2.755 18364 2037 1 4 . 1 1 63 63 CYS CB C 63 28.679 28.679 32.329 -3.650 18364 2038 1 4 . 1 1 63 63 CYS H H 63 8.537 8.537 8.697 -0.160 18364 2039 1 4 . 1 1 64 64 CYS N N 64 120.868 120.868 117.842 3.026 18364 2040 1 4 . 1 1 64 64 CYS HA H 64 5.918 5.918 5.758 0.160 18364 2041 1 4 . 1 1 64 64 CYS CA C 64 53.204 53.204 56.427 -3.223 18364 2042 1 4 . 1 1 64 64 CYS CB C 64 30.216 30.216 31.703 -1.487 18364 2043 1 4 . 1 1 64 64 CYS H H 64 9.307 9.307 9.352 -0.045 18364 2044 1 4 . 1 1 65 65 THR N N 65 109.830 109.830 111.557 -1.727 18364 2045 1 4 . 1 1 65 65 THR HA H 65 5.426 5.426 5.165 0.261 18364 2046 1 4 . 1 1 65 65 THR CA C 65 58.465 58.465 59.987 -1.522 18364 2047 1 4 . 1 1 65 65 THR CB C 65 69.665 69.665 71.788 -2.123 18364 2048 1 4 . 1 1 65 65 THR H H 65 8.447 8.447 8.058 0.389 18364 2049 1 4 . 1 1 66 66 ASN N N 66 114.459 114.459 118.121 -3.662 18364 2050 1 4 . 1 1 66 66 ASN HA H 66 4.656 4.656 4.460 0.196 18364 2051 1 4 . 1 1 66 66 ASN CA C 66 49.879 49.879 52.602 -2.723 18364 2052 1 4 . 1 1 66 66 ASN CB C 66 36.267 36.267 39.320 -3.053 18364 2053 1 4 . 1 1 66 66 ASN H H 66 9.300 9.300 8.197 1.103 18364 2054 1 4 . 1 1 67 67 GLY N N 67 103.647 103.647 105.750 -2.103 18364 2055 1 4 . 1 1 67 67 GLY CA C 67 43.796 43.796 45.225 -1.429 18364 2056 1 4 . 1 1 67 67 GLY H H 67 8.237 8.237 8.672 -0.435 18364 2057 1 4 . 1 1 69 69 ALA N N 69 121.911 121.911 124.796 -2.885 18364 2058 1 4 . 1 1 69 69 ALA HA H 69 4.244 4.244 4.445 -0.201 18364 2059 1 4 . 1 1 69 69 ALA CA C 69 49.758 49.758 51.779 -2.021 18364 2060 1 4 . 1 1 69 69 ALA CB C 69 17.376 17.376 21.229 -3.853 18364 2061 1 4 . 1 1 69 69 ALA H H 69 7.677 7.677 7.778 -0.101 18364 2062 1 4 . 1 1 70 70 PHE N N 70 114.118 114.118 117.405 -3.287 18364 2063 1 4 . 1 1 70 70 PHE HA H 70 4.965 4.965 4.968 -0.003 18364 2064 1 4 . 1 1 70 70 PHE CA C 70 53.129 53.129 58.462 -5.333 18364 2065 1 4 . 1 1 70 70 PHE CB C 70 37.917 37.917 42.849 -4.932 18364 2066 1 4 . 1 1 70 70 PHE H H 70 8.549 8.549 8.954 -0.405 18364 2067 1 4 . 1 1 71 71 PHE N N 71 110.252 110.252 114.030 -3.778 18364 2068 1 4 . 1 1 71 71 PHE HA H 71 4.247 4.247 4.124 0.123 18364 2069 1 4 . 1 1 71 71 PHE CA C 71 54.475 54.475 55.891 -1.416 18364 2070 1 4 . 1 1 71 71 PHE CB C 71 38.123 38.123 40.795 -2.672 18364 2071 1 4 . 1 1 71 71 PHE H H 71 6.617 6.617 7.294 -0.677 18364 2072 1 4 . 1 1 72 72 MET N N 72 118.637 118.637 118.276 0.361 18364 2073 1 4 . 1 1 72 72 MET HA H 72 4.800 4.800 4.729 0.071 18364 2074 1 4 . 1 1 72 72 MET CA C 72 53.108 53.108 54.633 -1.525 18364 2075 1 4 . 1 1 72 72 MET CB C 72 35.826 35.826 36.655 -0.829 18364 2076 1 4 . 1 1 72 72 MET H H 72 8.162 8.162 8.219 -0.057 18364 2077 1 4 . 1 1 73 73 THR N N 73 117.278 117.278 115.022 2.256 18364 2078 1 4 . 1 1 73 73 THR HA H 73 5.018 5.018 5.104 -0.086 18364 2079 1 4 . 1 1 73 73 THR CA C 73 58.316 58.316 60.833 -2.517 18364 2080 1 4 . 1 1 73 73 THR CB C 73 69.118 69.118 71.601 -2.483 18364 2081 1 4 . 1 1 73 73 THR H H 73 9.220 9.220 8.779 0.441 18364 2082 1 4 . 1 1 74 74 CYS N N 74 124.101 124.101 125.290 -1.189 18364 2083 1 4 . 1 1 74 74 CYS HA H 74 5.076 5.076 5.160 -0.084 18364 2084 1 4 . 1 1 74 74 CYS CA C 74 54.219 54.219 56.179 -1.960 18364 2085 1 4 . 1 1 74 74 CYS CB C 74 27.012 27.012 28.293 -1.280 18364 2086 1 4 . 1 1 74 74 CYS H H 74 8.958 8.958 8.947 0.011 18364 2087 1 4 . 1 1 75 75 ALA N N 75 132.901 132.901 123.106 9.795 18364 2088 1 4 . 1 1 75 75 ALA HA H 75 4.975 4.975 4.077 0.898 18364 2089 1 4 . 1 1 75 75 ALA CA C 75 47.826 47.826 53.087 -5.261 18364 2090 1 4 . 1 1 75 75 ALA CB C 75 18.111 18.111 19.130 -1.019 18364 2091 1 4 . 1 1 75 75 ALA H H 75 8.834 8.834 7.258 1.576 18364 2092 1 4 . 1 1 76 76 GLY N N 76 110.691 110.691 109.410 1.281 18364 2093 1 4 . 1 1 76 76 GLY CA C 76 41.784 41.784 44.379 -2.595 18364 2094 1 4 . 1 1 76 76 GLY H H 76 8.265 8.265 7.840 0.425 18364 2095 1 4 . 1 1 77 77 SER N N 77 115.145 115.145 113.704 1.441 18364 2096 1 4 . 1 1 77 77 SER HA H 77 4.980 4.980 5.461 -0.481 18364 2097 1 4 . 1 1 77 77 SER CA C 77 54.022 54.022 57.082 -3.060 18364 2098 1 4 . 1 1 77 77 SER CB C 77 62.987 62.987 67.208 -4.221 18364 2099 1 4 . 1 1 77 77 SER H H 77 8.723 8.723 8.919 -0.196 18364 2100 1 4 . 1 1 78 78 VAL N N 78 124.775 124.775 120.069 4.706 18364 2101 1 4 . 1 1 78 78 VAL HA H 78 4.634 4.634 5.379 -0.745 18364 2102 1 4 . 1 1 78 78 VAL CA C 78 58.437 58.437 59.527 -1.090 18364 2103 1 4 . 1 1 78 78 VAL CB C 78 32.177 32.177 34.958 -2.781 18364 2104 1 4 . 1 1 78 78 VAL H H 78 8.963 8.963 8.766 0.197 18364 2105 1 4 . 1 1 79 79 SER N N 79 118.951 118.951 119.010 -0.059 18364 2106 1 4 . 1 1 79 79 SER HA H 79 5.619 5.619 5.479 0.140 18364 2107 1 4 . 1 1 79 79 SER CA C 79 53.011 53.011 56.982 -3.971 18364 2108 1 4 . 1 1 79 79 SER CB C 79 64.197 64.197 66.975 -2.778 18364 2109 1 4 . 1 1 79 79 SER H H 79 8.661 8.661 8.727 -0.066 18364 2110 1 4 . 1 1 80 80 SER N N 80 114.750 114.750 113.814 0.936 18364 2111 1 4 . 1 1 80 80 SER HA H 80 4.439 4.439 4.880 -0.441 18364 2112 1 4 . 1 1 80 80 SER CA C 80 56.198 56.198 57.882 -1.684 18364 2113 1 4 . 1 1 80 80 SER CB C 80 63.490 63.490 65.272 -1.782 18364 2114 1 4 . 1 1 80 80 SER H H 80 8.563 8.563 8.738 -0.175 18364 2115 1 4 . 1 1 81 81 ILE N N 81 120.003 120.003 118.073 1.930 18364 2116 1 4 . 1 1 81 81 ILE HA H 81 4.576 4.576 4.641 -0.065 18364 2117 1 4 . 1 1 81 81 ILE CA C 81 57.951 57.951 60.412 -2.461 18364 2118 1 4 . 1 1 81 81 ILE CB C 81 36.011 36.011 39.482 -3.471 18364 2119 1 4 . 1 1 81 81 ILE H H 81 8.366 8.366 8.789 -0.423 18364 2120 1 4 . 1 1 82 82 SER N N 82 119.139 119.139 117.598 1.541 18364 2121 1 4 . 1 1 82 82 SER HA H 82 4.158 4.158 4.476 -0.318 18364 2122 1 4 . 1 1 82 82 SER CA C 82 56.910 56.910 59.097 -2.187 18364 2123 1 4 . 1 1 82 82 SER CB C 82 62.055 62.055 64.191 -2.136 18364 2124 1 4 . 1 1 82 82 SER H H 82 8.204 8.204 7.688 0.516 18364 2125 1 4 . 1 1 83 83 GLU N N 83 118.350 118.350 120.577 -2.227 18364 2126 1 4 . 1 1 83 83 GLU HA H 83 4.133 4.133 4.328 -0.195 18364 2127 1 4 . 1 1 83 83 GLU CA C 83 53.267 53.267 56.436 -3.169 18364 2128 1 4 . 1 1 83 83 GLU CB C 83 27.763 27.763 30.437 -2.674 18364 2129 1 4 . 1 1 83 83 GLU H H 83 8.381 8.381 8.566 -0.185 18364 2130 1 4 . 1 1 84 84 ALA N N 84 121.665 121.665 121.967 -0.302 18364 2131 1 4 . 1 1 84 84 ALA HA H 84 3.542 3.542 4.075 -0.533 18364 2132 1 4 . 1 1 84 84 ALA CA C 84 50.621 50.621 53.133 -2.512 18364 2133 1 4 . 1 1 84 84 ALA CB C 84 16.540 16.540 18.954 -2.414 18364 2134 1 4 . 1 1 84 84 ALA H H 84 8.482 8.482 8.234 0.248 18364 2135 1 4 . 1 1 85 85 GLY N N 85 108.356 108.356 105.993 2.363 18364 2136 1 4 . 1 1 85 85 GLY CA C 85 42.955 42.955 45.557 -2.602 18364 2137 1 4 . 1 1 85 85 GLY H H 85 8.078 8.078 8.422 -0.344 18364 2138 1 4 . 1 1 86 86 LYS N N 86 121.491 121.491 122.879 -1.388 18364 2139 1 4 . 1 1 86 86 LYS HA H 86 4.638 4.638 4.618 0.020 18364 2140 1 4 . 1 1 86 86 LYS CA C 86 51.073 51.073 54.816 -3.743 18364 2141 1 4 . 1 1 86 86 LYS CB C 86 29.750 29.750 32.185 -2.435 18364 2142 1 4 . 1 1 86 86 LYS H H 86 8.225 8.225 8.105 0.120 18364 2143 1 4 . 1 1 87 87 ARG N N 87 121.874 121.874 123.825 -1.951 18364 2144 1 4 . 1 1 87 87 ARG HA H 87 5.673 5.673 5.305 0.368 18364 2145 1 4 . 1 1 87 87 ARG CA C 87 52.139 52.139 54.071 -1.932 18364 2146 1 4 . 1 1 87 87 ARG CB C 87 32.163 32.163 32.886 -0.723 18364 2147 1 4 . 1 1 87 87 ARG H H 87 9.979 9.979 8.796 1.183 18364 2148 1 4 . 1 1 88 88 LEU N N 88 125.264 125.264 122.108 3.156 18364 2149 1 4 . 1 1 88 88 LEU HA H 88 4.562 4.562 5.016 -0.454 18364 2150 1 4 . 1 1 88 88 LEU CA C 88 50.284 50.284 55.003 -4.719 18364 2151 1 4 . 1 1 88 88 LEU CB C 88 42.309 42.309 44.156 -1.847 18364 2152 1 4 . 1 1 88 88 LEU H H 88 8.756 8.756 8.687 0.069 18364 2153 1 4 . 1 1 89 89 HIS N N 89 125.453 125.453 126.370 -0.917 18364 2154 1 4 . 1 1 89 89 HIS HA H 89 5.188 5.188 4.894 0.294 18364 2155 1 4 . 1 1 89 89 HIS CA C 89 51.389 51.389 55.496 -4.107 18364 2156 1 4 . 1 1 89 89 HIS CB C 89 27.731 27.731 31.987 -4.256 18364 2157 1 4 . 1 1 89 89 HIS H H 89 8.910 8.910 9.124 -0.214 18364 2158 1 4 . 1 1 90 90 ILE N N 90 126.486 126.486 126.569 -0.083 18364 2159 1 4 . 1 1 90 90 ILE HA H 90 5.020 5.020 4.653 0.367 18364 2160 1 4 . 1 1 90 90 ILE CA C 90 55.642 55.642 59.521 -3.879 18364 2161 1 4 . 1 1 90 90 ILE CB C 90 38.696 38.696 41.740 -3.044 18364 2162 1 4 . 1 1 90 90 ILE H H 90 8.689 8.689 7.864 0.825 18364 2163 1 4 . 1 1 91 91 THR N N 91 123.200 123.200 122.190 1.010 18364 2164 1 4 . 1 1 91 91 THR HA H 91 5.017 5.017 4.643 0.374 18364 2165 1 4 . 1 1 91 91 THR CA C 91 58.555 58.555 61.241 -2.686 18364 2166 1 4 . 1 1 91 91 THR CB C 91 68.702 68.702 70.763 -2.061 18364 2167 1 4 . 1 1 91 91 THR H H 91 8.636 8.636 8.737 -0.101 18364 2168 1 4 . 1 1 92 92 VAL N N 92 127.071 127.071 122.085 4.986 18364 2169 1 4 . 1 1 92 92 VAL HA H 92 5.018 5.018 4.914 0.104 18364 2170 1 4 . 1 1 92 92 VAL CA C 92 57.969 57.969 60.653 -2.684 18364 2171 1 4 . 1 1 92 92 VAL CB C 92 31.323 31.323 32.641 -1.318 18364 2172 1 4 . 1 1 92 92 VAL H H 92 9.162 9.162 8.971 0.191 18364 2173 1 4 . 1 1 93 93 ILE N N 93 127.095 127.095 125.745 1.350 18364 2174 1 4 . 1 1 93 93 ILE HA H 93 4.461 4.461 4.906 -0.445 18364 2175 1 4 . 1 1 93 93 ILE CA C 93 57.972 57.972 59.788 -1.816 18364 2176 1 4 . 1 1 93 93 ILE CB C 93 38.929 38.929 41.849 -2.920 18364 2177 1 4 . 1 1 93 93 ILE H H 93 9.313 9.313 9.060 0.253 18364 2178 1 4 . 1 1 94 94 GLY N N 94 111.893 111.893 111.468 0.425 18364 2179 1 4 . 1 1 94 94 GLY CA C 94 41.781 41.781 44.112 -2.331 18364 2180 1 4 . 1 1 94 94 GLY H H 94 8.577 8.577 8.812 -0.235 18364 2181 1 4 . 1 1 95 95 TYR N N 95 123.099 123.099 120.341 2.758 18364 2182 1 4 . 1 1 95 95 TYR HA H 95 5.399 5.399 5.530 -0.131 18364 2183 1 4 . 1 1 95 95 TYR CA C 95 54.052 54.052 56.214 -2.162 18364 2184 1 4 . 1 1 95 95 TYR CB C 95 41.285 41.285 43.805 -2.520 18364 2185 1 4 . 1 1 95 95 TYR H H 95 9.640 9.640 9.197 0.443 18364 2186 1 4 . 1 1 96 96 ILE N N 96 116.705 116.705 120.932 -4.227 18364 2187 1 4 . 1 1 96 96 ILE HA H 96 4.208 4.208 4.457 -0.249 18364 2188 1 4 . 1 1 96 96 ILE CA C 96 58.977 58.977 60.736 -1.759 18364 2189 1 4 . 1 1 96 96 ILE CB C 96 37.245 37.245 39.188 -1.943 18364 2190 1 4 . 1 1 96 96 ILE H H 96 8.270 8.270 8.877 -0.607 18364 2191 1 4 . 1 1 97 97 ASP N N 97 130.442 130.442 128.196 2.246 18364 2192 1 4 . 1 1 97 97 ASP HA H 97 4.165 4.165 4.216 -0.051 18364 2193 1 4 . 1 1 97 97 ASP CA C 97 53.736 53.736 57.501 -3.765 18364 2194 1 4 . 1 1 97 97 ASP CB C 97 36.870 36.870 40.408 -3.538 18364 2195 1 4 . 1 1 97 97 ASP H H 97 9.849 9.849 9.343 0.506 18364 2196 1 4 . 1 1 98 98 ASP N N 98 114.957 114.957 116.958 -2.001 18364 2197 1 4 . 1 1 98 98 ASP HA H 98 4.694 4.694 4.747 -0.053 18364 2198 1 4 . 1 1 98 98 ASP CB C 98 36.266 36.266 42.376 -6.110 18364 2199 1 4 . 1 1 98 98 ASP H H 98 8.355 8.355 8.231 0.124 18364 2200 1 4 . 1 1 99 99 LYS N N 99 121.680 121.680 120.833 0.847 18364 2201 1 4 . 1 1 99 99 LYS HA H 99 4.590 4.590 4.723 -0.133 18364 2202 1 4 . 1 1 99 99 LYS CA C 99 52.354 52.354 55.205 -2.851 18364 2203 1 4 . 1 1 99 99 LYS CB C 99 30.958 30.958 36.033 -5.075 18364 2204 1 4 . 1 1 99 99 LYS H H 99 8.049 8.049 7.976 0.073 18364 2205 1 4 . 1 1 100 100 GLU N N 100 127.574 127.574 123.111 4.463 18364 2206 1 4 . 1 1 100 100 GLU HA H 100 3.804 3.804 4.225 -0.421 18364 2207 1 4 . 1 1 100 100 GLU CA C 100 54.562 54.562 56.006 -1.444 18364 2208 1 4 . 1 1 100 100 GLU CB C 100 26.808 26.808 30.318 -3.510 18364 2209 1 4 . 1 1 100 100 GLU H H 100 8.839 8.839 8.896 -0.057 18364 2210 1 4 . 1 1 101 101 VAL N N 101 120.606 120.606 123.519 -2.913 18364 2211 1 4 . 1 1 101 101 VAL HA H 101 4.534 4.534 4.367 0.167 18364 2212 1 4 . 1 1 101 101 VAL CA C 101 58.379 58.379 61.196 -2.817 18364 2213 1 4 . 1 1 101 101 VAL CB C 101 31.223 31.223 33.025 -1.802 18364 2214 1 4 . 1 1 101 101 VAL H H 101 8.997 8.997 8.538 0.459 18364 2215 1 4 . 1 1 102 102 ASN N N 102 118.568 118.568 119.404 -0.836 18364 2216 1 4 . 1 1 102 102 ASN HA H 102 4.782 4.782 4.935 -0.153 18364 2217 1 4 . 1 1 102 102 ASN CA C 102 50.154 50.154 53.324 -3.170 18364 2218 1 4 . 1 1 102 102 ASN CB C 102 38.848 38.848 41.234 -2.386 18364 2219 1 4 . 1 1 102 102 ASN H H 102 7.598 7.598 7.776 -0.178 18364 2220 1 4 . 1 1 103 103 ARG N N 103 120.366 120.366 120.176 0.190 18364 2221 1 4 . 1 1 103 103 ARG HA H 103 5.051 5.051 5.380 -0.329 18364 2222 1 4 . 1 1 103 103 ARG CA C 103 52.900 52.900 55.309 -2.409 18364 2223 1 4 . 1 1 103 103 ARG CB C 103 31.710 31.710 31.979 -0.269 18364 2224 1 4 . 1 1 103 103 ARG H H 103 8.155 8.155 8.294 -0.139 18364 2225 1 4 . 1 1 104 104 LEU N N 104 128.859 128.859 115.879 12.980 18364 2226 1 4 . 1 1 104 104 LEU HA H 104 4.553 4.553 5.029 -0.476 18364 2227 1 4 . 1 1 104 104 LEU CA C 104 51.272 51.272 53.937 -2.665 18364 2228 1 4 . 1 1 104 104 LEU CB C 104 43.549 43.549 45.315 -1.766 18364 2229 1 4 . 1 1 104 104 LEU H H 104 9.271 9.271 8.631 0.640 18364 2230 1 4 . 1 1 105 105 GLU N N 105 125.663 125.663 118.513 7.150 18364 2231 1 4 . 1 1 105 105 GLU HA H 105 5.179 5.179 5.085 0.095 18364 2232 1 4 . 1 1 105 105 GLU CA C 105 51.966 51.966 54.737 -2.771 18364 2233 1 4 . 1 1 105 105 GLU CB C 105 29.358 29.358 32.371 -3.013 18364 2234 1 4 . 1 1 105 105 GLU H H 105 8.346 8.346 8.416 -0.070 18364 2235 1 4 . 1 1 106 106 LYS N N 106 123.659 123.659 118.455 5.204 18364 2236 1 4 . 1 1 106 106 LYS HA H 106 4.281 4.281 4.384 -0.103 18364 2237 1 4 . 1 1 106 106 LYS CA C 106 51.118 51.118 54.199 -3.081 18364 2238 1 4 . 1 1 106 106 LYS CB C 106 34.761 34.761 36.508 -1.748 18364 2239 1 4 . 1 1 106 106 LYS H H 106 8.526 8.526 8.385 0.141 18364 2240 1 4 . 1 1 107 107 GLU N N 107 121.917 121.917 119.861 2.056 18364 2241 1 4 . 1 1 107 107 GLU HA H 107 4.949 4.949 4.270 0.679 18364 2242 1 4 . 1 1 107 107 GLU CA C 107 51.404 51.404 55.925 -4.521 18364 2243 1 4 . 1 1 107 107 GLU CB C 107 29.906 29.906 31.828 -1.922 18364 2244 1 4 . 1 1 107 107 GLU H H 107 7.773 7.773 7.841 -0.068 18364 2245 1 4 . 1 1 108 108 TYR N N 108 124.981 124.981 122.935 2.046 18364 2246 1 4 . 1 1 108 108 TYR HA H 108 4.720 4.720 4.794 -0.074 18364 2247 1 4 . 1 1 108 108 TYR CA C 108 54.188 54.188 56.850 -2.663 18364 2248 1 4 . 1 1 108 108 TYR CB C 108 39.101 39.101 42.337 -3.236 18364 2249 1 4 . 1 1 108 108 TYR H H 108 9.031 9.031 8.396 0.635 18364 2250 1 4 . 1 1 109 109 ILE N N 109 121.680 121.680 121.313 0.367 18364 2251 1 4 . 1 1 109 109 ILE HA H 109 5.471 5.471 4.681 0.790 18364 2252 1 4 . 1 1 109 109 ILE CA C 109 56.592 56.592 60.633 -4.041 18364 2253 1 4 . 1 1 109 109 ILE CB C 109 38.728 38.728 41.142 -2.414 18364 2254 1 4 . 1 1 109 109 ILE H H 109 8.475 8.475 8.660 -0.185 18364 2255 1 4 . 1 1 110 110 THR N N 110 117.537 117.537 117.866 -0.329 18364 2256 1 4 . 1 1 110 110 THR HA H 110 4.521 4.521 4.394 0.127 18364 2257 1 4 . 1 1 110 110 THR CA C 110 59.337 59.337 61.996 -2.659 18364 2258 1 4 . 1 1 110 110 THR CB C 110 67.143 67.143 70.021 -2.878 18364 2259 1 4 . 1 1 110 110 THR H H 110 9.180 9.180 8.599 0.581 18364 2260 1 4 . 1 1 111 111 ASP N N 111 122.428 122.428 125.658 -3.230 18364 2261 1 4 . 1 1 111 111 ASP HA H 111 4.721 4.721 4.778 -0.057 18364 2262 1 4 . 1 1 111 111 ASP CA C 111 50.135 50.135 54.090 -3.955 18364 2263 1 4 . 1 1 111 111 ASP CB C 111 39.613 39.613 40.704 -1.091 18364 2264 1 4 . 1 1 111 111 ASP H H 111 9.342 9.342 8.763 0.579 18364 2265 1 4 . 1 1 112 112 GLY N N 112 110.714 110.714 107.214 3.500 18364 2266 1 4 . 1 1 112 112 GLY CA C 112 43.084 43.084 45.459 -2.375 18364 2267 1 4 . 1 1 112 112 GLY H H 112 8.333 8.333 8.623 -0.290 18364 2268 1 4 . 1 1 113 113 ASN N N 113 119.462 119.462 117.197 2.265 18364 2269 1 4 . 1 1 113 113 ASN HA H 113 4.926 4.926 4.959 -0.033 18364 2270 1 4 . 1 1 113 113 ASN CA C 113 49.373 49.373 52.058 -2.685 18364 2271 1 4 . 1 1 113 113 ASN CB C 113 37.377 37.377 40.050 -2.673 18364 2272 1 4 . 1 1 113 113 ASN H H 113 8.210 8.210 7.853 0.357 18364 2273 1 4 . 1 1 114 114 THR N N 114 117.962 117.962 115.812 2.150 18364 2274 1 4 . 1 1 114 114 THR HA H 114 4.136 4.136 4.271 -0.135 18364 2275 1 4 . 1 1 114 114 THR CA C 114 62.066 62.066 63.388 -1.322 18364 2276 1 4 . 1 1 114 114 THR CB C 114 66.489 66.489 69.308 -2.818 18364 2277 1 4 . 1 1 114 114 THR H H 114 8.436 8.436 8.338 0.098 18364 2278 1 4 . 1 1 115 115 LEU N N 115 132.998 132.998 128.705 4.293 18364 2279 1 4 . 1 1 115 115 LEU HA H 115 4.607 4.607 4.683 -0.076 18364 2280 1 4 . 1 1 115 115 LEU CA C 115 52.335 52.335 54.909 -2.574 18364 2281 1 4 . 1 1 115 115 LEU CB C 115 41.546 41.546 43.282 -1.736 18364 2282 1 4 . 1 1 115 115 LEU H H 115 8.789 8.789 8.771 0.018 18364 2283 1 4 . 1 1 116 116 ILE N N 116 126.586 126.586 124.250 2.336 18364 2284 1 4 . 1 1 116 116 ILE HA H 116 4.784 4.784 4.852 -0.068 18364 2285 1 4 . 1 1 116 116 ILE CA C 116 58.270 58.270 60.773 -2.503 18364 2286 1 4 . 1 1 116 116 ILE CB C 116 37.909 37.909 41.710 -3.801 18364 2287 1 4 . 1 1 116 116 ILE H H 116 8.637 8.637 8.355 0.282 18364 2288 1 4 . 1 1 117 117 GLU N N 117 127.084 127.084 124.878 2.206 18364 2289 1 4 . 1 1 117 117 GLU HA H 117 4.830 4.830 4.770 0.060 18364 2290 1 4 . 1 1 117 117 GLU CA C 117 51.847 51.847 54.739 -2.892 18364 2291 1 4 . 1 1 117 117 GLU CB C 117 32.299 32.299 32.947 -0.647 18364 2292 1 4 . 1 1 117 117 GLU H H 117 8.933 8.933 9.132 -0.199 18364 2293 1 4 . 1 1 118 118 THR N N 118 110.826 110.826 111.293 -0.467 18364 2294 1 4 . 1 1 118 118 THR HA H 118 5.190 5.190 5.330 -0.140 18364 2295 1 4 . 1 1 118 118 THR CA C 118 57.036 57.036 60.769 -3.733 18364 2296 1 4 . 1 1 118 118 THR CB C 118 69.888 69.888 71.607 -1.719 18364 2297 1 4 . 1 1 118 118 THR H H 118 8.664 8.664 8.408 0.256 18364 2298 1 4 . 1 1 119 119 PHE N N 119 115.915 115.915 116.675 -0.760 18364 2299 1 4 . 1 1 119 119 PHE HA H 119 4.999 4.999 5.101 -0.102 18364 2300 1 4 . 1 1 119 119 PHE CA C 119 53.804 53.804 56.066 -2.262 18364 2301 1 4 . 1 1 119 119 PHE CB C 119 39.787 39.787 41.048 -1.261 18364 2302 1 4 . 1 1 119 119 PHE H H 119 8.087 8.087 8.296 -0.209 18364 2303 1 4 . 1 1 120 120 SER N N 120 114.953 114.953 116.426 -1.473 18364 2304 1 4 . 1 1 120 120 SER HA H 120 5.383 5.383 4.682 0.701 18364 2305 1 4 . 1 1 120 120 SER CA C 120 55.192 55.192 57.981 -2.789 18364 2306 1 4 . 1 1 120 120 SER CB C 120 62.113 62.113 65.046 -2.933 18364 2307 1 4 . 1 1 120 120 SER H H 120 8.627 8.627 8.746 -0.119 18364 2308 1 4 . 1 1 121 121 VAL N N 121 124.122 124.122 124.651 -0.529 18364 2309 1 4 . 1 1 121 121 VAL HA H 121 4.349 4.349 4.572 -0.223 18364 2310 1 4 . 1 1 121 121 VAL CA C 121 59.005 59.005 61.216 -2.211 18364 2311 1 4 . 1 1 121 121 VAL CB C 121 34.127 34.127 34.375 -0.248 18364 2312 1 4 . 1 1 121 121 VAL H H 121 8.866 8.866 8.473 0.393 18364 2313 1 4 . 1 1 122 122 SER N N 122 119.703 119.703 122.750 -3.047 18364 2314 1 4 . 1 1 122 122 SER HA H 122 5.598 5.598 5.547 0.051 18364 2315 1 4 . 1 1 122 122 SER CA C 122 53.065 53.065 56.913 -3.848 18364 2316 1 4 . 1 1 122 122 SER CB C 122 63.442 63.442 66.796 -3.354 18364 2317 1 4 . 1 1 122 122 SER H H 122 8.334 8.334 8.568 -0.234 18364 2318 1 4 . 1 1 123 123 THR N N 123 113.276 113.276 111.159 2.117 18364 2319 1 4 . 1 1 123 123 THR HA H 123 4.093 4.093 4.629 -0.536 18364 2320 1 4 . 1 1 123 123 THR CA C 123 60.143 60.143 61.472 -1.329 18364 2321 1 4 . 1 1 123 123 THR CB C 123 64.437 64.437 69.886 -5.449 18364 2322 1 4 . 1 1 123 123 THR H H 123 8.898 8.898 8.521 0.377 18364 2323 1 4 . 1 1 124 124 LYS N N 124 119.191 119.191 119.984 -0.793 18364 2324 1 4 . 1 1 124 124 LYS HA H 124 4.324 4.324 4.524 -0.200 18364 2325 1 4 . 1 1 124 124 LYS CA C 124 53.486 53.486 56.828 -3.342 18364 2326 1 4 . 1 1 124 124 LYS CB C 124 32.376 32.376 34.071 -1.695 18364 2327 1 4 . 1 1 124 124 LYS H H 124 7.569 7.569 7.987 -0.418 18364 2328 1 4 . 1 1 125 125 GLU N N 125 124.243 124.243 123.435 0.808 18364 2329 1 4 . 1 1 125 125 GLU HA H 125 4.255 4.255 4.700 -0.445 18364 2330 1 4 . 1 1 125 125 GLU CA C 125 53.830 53.830 55.402 -1.572 18364 2331 1 4 . 1 1 125 125 GLU CB C 125 27.674 27.674 31.443 -3.769 18364 2332 1 4 . 1 1 125 125 GLU H H 125 8.359 8.359 8.236 0.123 18364 2333 1 5 . 1 1 2 2 ALA CA C 2 50.698 50.698 51.903 -1.205 18364 2334 1 5 . 1 1 2 2 ALA CB C 2 16.688 16.688 19.224 -2.536 18364 2335 1 5 . 1 1 3 3 SER N N 3 113.663 113.663 116.933 -3.270 18364 2336 1 5 . 1 1 3 3 SER HA H 3 4.296 4.296 4.663 -0.367 18364 2337 1 5 . 1 1 3 3 SER CA C 3 55.573 55.573 58.188 -2.615 18364 2338 1 5 . 1 1 3 3 SER CB C 3 60.888 60.888 65.275 -4.387 18364 2339 1 5 . 1 1 3 3 SER H H 3 8.301 8.301 8.098 0.203 18364 2340 1 5 . 1 1 4 4 ASP N N 4 121.532 121.532 122.203 -0.671 18364 2341 1 5 . 1 1 4 4 ASP HA H 4 4.394 4.394 4.724 -0.330 18364 2342 1 5 . 1 1 4 4 ASP CA C 4 51.748 51.748 54.325 -2.577 18364 2343 1 5 . 1 1 4 4 ASP CB C 4 38.614 38.614 41.292 -2.678 18364 2344 1 5 . 1 1 4 4 ASP H H 4 7.874 7.874 7.990 -0.116 18364 2345 1 5 . 1 1 5 5 PHE N N 5 119.126 119.126 120.749 -1.623 18364 2346 1 5 . 1 1 5 5 PHE HA H 5 4.535 4.535 4.803 -0.268 18364 2347 1 5 . 1 1 5 5 PHE CA C 5 54.589 54.589 57.578 -2.989 18364 2348 1 5 . 1 1 5 5 PHE CB C 5 37.079 37.079 40.382 -3.303 18364 2349 1 5 . 1 1 5 5 PHE H H 5 7.832 7.832 8.023 -0.191 18364 2350 1 5 . 1 1 6 6 GLN N N 6 122.092 122.092 125.694 -3.602 18364 2351 1 5 . 1 1 6 6 GLN HA H 6 4.417 4.417 4.818 -0.401 18364 2352 1 5 . 1 1 6 6 GLN CA C 6 53.128 53.128 55.124 -1.996 18364 2353 1 5 . 1 1 6 6 GLN CB C 6 27.477 27.477 29.009 -1.532 18364 2354 1 5 . 1 1 6 6 GLN H H 6 8.447 8.447 8.666 -0.219 18364 2355 1 5 . 1 1 7 7 THR N N 7 114.717 114.717 111.959 2.758 18364 2356 1 5 . 1 1 7 7 THR HA H 7 5.035 5.035 4.754 0.281 18364 2357 1 5 . 1 1 7 7 THR CA C 7 57.906 57.906 61.204 -3.298 18364 2358 1 5 . 1 1 7 7 THR CB C 7 68.370 68.370 70.876 -2.506 18364 2359 1 5 . 1 1 7 7 THR H H 7 8.145 8.145 8.190 -0.045 18364 2360 1 5 . 1 1 8 8 GLY N N 8 111.628 111.628 108.378 3.250 18364 2361 1 5 . 1 1 8 8 GLY CA C 8 43.774 43.774 46.018 -2.244 18364 2362 1 5 . 1 1 8 8 GLY H H 8 9.234 9.234 8.618 0.616 18364 2363 1 5 . 1 1 9 9 ILE N N 9 119.585 119.585 120.795 -1.210 18364 2364 1 5 . 1 1 9 9 ILE HA H 9 3.934 3.934 4.615 -0.681 18364 2365 1 5 . 1 1 9 9 ILE CA C 9 58.907 58.907 60.528 -1.621 18364 2366 1 5 . 1 1 9 9 ILE CB C 9 35.738 35.738 41.974 -6.236 18364 2367 1 5 . 1 1 9 9 ILE H H 9 8.603 8.603 7.955 0.648 18364 2368 1 5 . 1 1 10 10 HIS N N 10 133.616 133.616 123.699 9.917 18364 2369 1 5 . 1 1 10 10 HIS HA H 10 5.185 5.185 5.433 -0.248 18364 2370 1 5 . 1 1 10 10 HIS CA C 10 53.587 53.587 54.433 -0.846 18364 2371 1 5 . 1 1 10 10 HIS CB C 10 30.817 30.817 33.396 -2.579 18364 2372 1 5 . 1 1 10 10 HIS H H 10 8.599 8.599 8.906 -0.307 18364 2373 1 5 . 1 1 11 11 LYS N N 11 122.949 122.949 119.305 3.644 18364 2374 1 5 . 1 1 11 11 LYS HA H 11 5.236 5.236 5.094 0.142 18364 2375 1 5 . 1 1 11 11 LYS CA C 11 52.748 52.748 55.302 -2.554 18364 2376 1 5 . 1 1 11 11 LYS CB C 11 35.137 35.137 36.276 -1.139 18364 2377 1 5 . 1 1 11 11 LYS H H 11 8.775 8.775 9.195 -0.420 18364 2378 1 5 . 1 1 12 12 ILE N N 12 125.260 125.260 120.404 4.856 18364 2379 1 5 . 1 1 12 12 ILE HA H 12 5.273 5.273 5.023 0.250 18364 2380 1 5 . 1 1 12 12 ILE CA C 12 55.780 55.780 59.842 -4.062 18364 2381 1 5 . 1 1 12 12 ILE CB C 12 38.767 38.767 41.535 -2.768 18364 2382 1 5 . 1 1 12 12 ILE H H 12 8.578 8.578 8.781 -0.203 18364 2383 1 5 . 1 1 13 13 VAL N N 13 126.515 126.515 126.131 0.384 18364 2384 1 5 . 1 1 13 13 VAL HA H 13 4.795 4.795 4.663 0.132 18364 2385 1 5 . 1 1 13 13 VAL CA C 13 58.115 58.115 60.901 -2.786 18364 2386 1 5 . 1 1 13 13 VAL CB C 13 32.948 32.948 34.730 -1.782 18364 2387 1 5 . 1 1 13 13 VAL H H 13 9.052 9.052 9.213 -0.161 18364 2388 1 5 . 1 1 14 14 ILE N N 14 125.803 125.803 124.779 1.024 18364 2389 1 5 . 1 1 14 14 ILE HA H 14 5.008 5.008 4.871 0.137 18364 2390 1 5 . 1 1 14 14 ILE CA C 14 57.539 57.539 59.805 -2.266 18364 2391 1 5 . 1 1 14 14 ILE CB C 14 38.656 38.656 42.127 -3.470 18364 2392 1 5 . 1 1 14 14 ILE H H 14 8.974 8.974 8.384 0.590 18364 2393 1 5 . 1 1 15 15 GLN N N 15 125.773 125.773 119.828 5.945 18364 2394 1 5 . 1 1 15 15 GLN HA H 15 5.433 5.433 5.038 0.395 18364 2395 1 5 . 1 1 15 15 GLN CA C 15 51.002 51.002 54.547 -3.545 18364 2396 1 5 . 1 1 15 15 GLN CB C 15 29.637 29.637 33.555 -3.918 18364 2397 1 5 . 1 1 15 15 GLN H H 15 9.244 9.244 8.659 0.585 18364 2398 1 5 . 1 1 16 16 GLN N N 16 119.832 119.832 117.325 2.507 18364 2399 1 5 . 1 1 16 16 GLN HA H 16 5.741 5.741 5.480 0.261 18364 2400 1 5 . 1 1 16 16 GLN CA C 16 50.572 50.572 54.493 -3.921 18364 2401 1 5 . 1 1 16 16 GLN CB C 16 30.039 30.039 32.638 -2.599 18364 2402 1 5 . 1 1 16 16 GLN H H 16 8.964 8.964 8.172 0.792 18364 2403 1 5 . 1 1 17 17 SER N N 17 115.201 115.201 114.955 0.246 18364 2404 1 5 . 1 1 17 17 SER HA H 17 4.526 4.526 4.733 -0.207 18364 2405 1 5 . 1 1 17 17 SER CA C 17 54.831 54.831 57.864 -3.033 18364 2406 1 5 . 1 1 17 17 SER CB C 17 62.930 62.930 66.722 -3.792 18364 2407 1 5 . 1 1 17 17 SER H H 17 8.770 8.770 8.651 0.119 18364 2408 1 5 . 1 1 18 18 GLY N N 18 109.321 109.321 109.918 -0.597 18364 2409 1 5 . 1 1 18 18 GLY CA C 18 41.737 41.737 44.791 -3.054 18364 2410 1 5 . 1 1 18 18 GLY H H 18 8.798 8.798 8.189 0.609 18364 2411 1 5 . 1 1 19 19 ASP N N 19 128.121 128.121 124.025 4.096 18364 2412 1 5 . 1 1 19 19 ASP HA H 19 5.071 5.071 4.754 0.317 18364 2413 1 5 . 1 1 19 19 ASP CA C 19 51.251 51.251 52.739 -1.488 18364 2414 1 5 . 1 1 19 19 ASP CB C 19 37.872 37.872 39.333 -1.461 18364 2415 1 5 . 1 1 19 19 ASP H H 19 9.708 9.708 8.133 1.575 18364 2416 1 5 . 1 1 20 20 THR N N 20 111.610 111.610 112.539 -0.929 18364 2417 1 5 . 1 1 20 20 THR HA H 20 3.615 3.615 4.055 -0.440 18364 2418 1 5 . 1 1 20 20 THR CA C 20 63.331 63.331 64.472 -1.141 18364 2419 1 5 . 1 1 20 20 THR CB C 20 64.873 64.873 68.805 -3.932 18364 2420 1 5 . 1 1 20 20 THR H H 20 8.136 8.136 7.983 0.153 18364 2421 1 5 . 1 1 21 21 ASP N N 21 118.304 118.304 120.452 -2.148 18364 2422 1 5 . 1 1 21 21 ASP HA H 21 4.639 4.639 4.622 0.017 18364 2423 1 5 . 1 1 21 21 ASP CA C 21 52.945 52.945 56.392 -3.447 18364 2424 1 5 . 1 1 21 21 ASP CB C 21 37.785 37.785 41.296 -3.511 18364 2425 1 5 . 1 1 21 21 ASP H H 21 8.566 8.566 8.014 0.552 18364 2426 1 5 . 1 1 22 22 SER N N 22 114.253 114.253 113.293 0.960 18364 2427 1 5 . 1 1 22 22 SER HA H 22 4.384 4.384 4.575 -0.191 18364 2428 1 5 . 1 1 22 22 SER CA C 22 57.170 57.170 58.430 -1.260 18364 2429 1 5 . 1 1 22 22 SER CB C 22 61.441 61.441 64.891 -3.450 18364 2430 1 5 . 1 1 22 22 SER H H 22 8.076 8.076 7.751 0.325 18364 2431 1 5 . 1 1 23 23 PHE N N 23 119.853 119.853 120.598 -0.745 18364 2432 1 5 . 1 1 23 23 PHE HA H 23 5.010 5.010 4.725 0.285 18364 2433 1 5 . 1 1 23 23 PHE CA C 23 53.272 53.272 57.041 -3.769 18364 2434 1 5 . 1 1 23 23 PHE CB C 23 42.021 42.021 40.063 1.958 18364 2435 1 5 . 1 1 23 23 PHE H H 23 7.611 7.611 7.747 -0.136 18364 2436 1 5 . 1 1 24 24 GLU N N 24 119.255 119.255 125.019 -5.764 18364 2437 1 5 . 1 1 24 24 GLU HA H 24 4.571 4.571 4.511 0.060 18364 2438 1 5 . 1 1 24 24 GLU CA C 24 52.642 52.642 56.099 -3.457 18364 2439 1 5 . 1 1 24 24 GLU CB C 24 28.881 28.881 31.440 -2.559 18364 2440 1 5 . 1 1 24 24 GLU H H 24 8.958 8.958 8.347 0.611 18364 2441 1 5 . 1 1 25 25 VAL N N 25 130.637 130.637 124.008 6.629 18364 2442 1 5 . 1 1 25 25 VAL HA H 25 4.859 4.859 4.656 0.203 18364 2443 1 5 . 1 1 25 25 VAL CA C 25 58.548 58.548 61.611 -3.063 18364 2444 1 5 . 1 1 25 25 VAL CB C 25 30.439 30.439 33.820 -3.381 18364 2445 1 5 . 1 1 25 25 VAL H H 25 9.678 9.678 8.783 0.895 18364 2446 1 5 . 1 1 26 26 SER N N 26 122.555 122.555 124.177 -1.622 18364 2447 1 5 . 1 1 26 26 SER HA H 26 5.289 5.289 5.017 0.272 18364 2448 1 5 . 1 1 26 26 SER CA C 26 54.088 54.088 57.644 -3.556 18364 2449 1 5 . 1 1 26 26 SER CB C 26 62.476 62.476 64.581 -2.105 18364 2450 1 5 . 1 1 26 26 SER H H 26 8.883 8.883 9.064 -0.181 18364 2451 1 5 . 1 1 27 27 VAL N N 27 113.682 113.682 120.573 -6.891 18364 2452 1 5 . 1 1 27 27 VAL HA H 27 5.269 5.269 4.787 0.482 18364 2453 1 5 . 1 1 27 27 VAL CA C 27 56.005 56.005 59.954 -3.949 18364 2454 1 5 . 1 1 27 27 VAL CB C 27 34.158 34.158 35.981 -1.823 18364 2455 1 5 . 1 1 27 27 VAL H H 27 8.493 8.493 8.242 0.251 18364 2456 1 5 . 1 1 28 28 SER N N 28 116.852 116.852 119.112 -2.260 18364 2457 1 5 . 1 1 28 28 SER HA H 28 5.410 5.410 5.039 0.371 18364 2458 1 5 . 1 1 28 28 SER CA C 28 54.633 54.633 57.029 -2.396 18364 2459 1 5 . 1 1 28 28 SER CB C 28 62.095 62.095 64.279 -2.184 18364 2460 1 5 . 1 1 28 28 SER H H 28 8.709 8.709 8.556 0.153 18364 2461 1 5 . 1 1 29 29 ILE N N 29 128.765 128.765 126.668 2.097 18364 2462 1 5 . 1 1 29 29 ILE HA H 29 5.224 5.224 4.721 0.503 18364 2463 1 5 . 1 1 29 29 ILE CA C 29 57.247 57.247 59.924 -2.677 18364 2464 1 5 . 1 1 29 29 ILE CB C 29 39.144 39.144 40.431 -1.287 18364 2465 1 5 . 1 1 29 29 ILE H H 29 9.631 9.631 8.887 0.744 18364 2466 1 5 . 1 1 30 30 GLY N N 30 112.478 112.478 113.136 -0.658 18364 2467 1 5 . 1 1 30 30 GLY CA C 30 42.140 42.140 44.424 -2.284 18364 2468 1 5 . 1 1 30 30 GLY H H 30 8.095 8.095 8.073 0.022 18364 2469 1 5 . 1 1 31 31 GLY N N 31 108.502 108.502 104.908 3.594 18364 2470 1 5 . 1 1 31 31 GLY CA C 31 43.201 43.201 44.295 -1.094 18364 2471 1 5 . 1 1 31 31 GLY H H 31 9.755 9.755 8.170 1.585 18364 2472 1 5 . 1 1 32 32 ALA N N 32 122.020 122.020 120.465 1.555 18364 2473 1 5 . 1 1 32 32 ALA HA H 32 4.967 4.967 5.193 -0.226 18364 2474 1 5 . 1 1 32 32 ALA CA C 32 48.540 48.540 50.428 -1.888 18364 2475 1 5 . 1 1 32 32 ALA CB C 32 21.078 21.078 22.840 -1.762 18364 2476 1 5 . 1 1 32 32 ALA H H 32 7.338 7.338 7.144 0.194 18364 2477 1 5 . 1 1 33 33 ASP N N 33 121.217 121.217 121.399 -0.182 18364 2478 1 5 . 1 1 33 33 ASP HA H 33 3.680 3.680 4.920 -1.240 18364 2479 1 5 . 1 1 33 33 ASP CA C 33 49.520 49.520 52.263 -2.743 18364 2480 1 5 . 1 1 33 33 ASP CB C 33 40.840 40.840 43.810 -2.970 18364 2481 1 5 . 1 1 33 33 ASP H H 33 8.945 8.945 9.121 -0.176 18364 2482 1 5 . 1 1 34 34 LYS N N 34 117.693 117.693 121.589 -3.896 18364 2483 1 5 . 1 1 34 34 LYS HA H 34 4.017 4.017 4.196 -0.179 18364 2484 1 5 . 1 1 34 34 LYS CA C 34 56.700 56.700 56.686 0.014 18364 2485 1 5 . 1 1 34 34 LYS CB C 34 29.772 29.772 31.101 -1.329 18364 2486 1 5 . 1 1 34 34 LYS H H 34 8.200 8.200 8.504 -0.304 18364 2487 1 5 . 1 1 35 35 GLY N N 35 106.697 106.697 112.456 -5.759 18364 2488 1 5 . 1 1 35 35 GLY CA C 35 42.719 42.719 44.607 -1.888 18364 2489 1 5 . 1 1 35 35 GLY H H 35 8.653 8.653 8.533 0.120 18364 2490 1 5 . 1 1 36 36 GLY N N 36 110.824 110.824 107.439 3.385 18364 2491 1 5 . 1 1 36 36 GLY CA C 36 41.099 41.099 44.528 -3.429 18364 2492 1 5 . 1 1 36 36 GLY H H 36 7.601 7.601 7.582 0.019 18364 2493 1 5 . 1 1 37 37 PRO HA H 37 4.571 4.571 4.550 0.021 18364 2494 1 5 . 1 1 37 37 PRO CA C 37 60.012 60.012 62.531 -2.519 18364 2495 1 5 . 1 1 37 37 PRO CB C 37 29.470 29.470 32.286 -2.816 18364 2496 1 5 . 1 1 38 38 ALA N N 38 127.841 127.841 127.697 0.144 18364 2497 1 5 . 1 1 38 38 ALA HA H 38 4.127 4.127 4.251 -0.124 18364 2498 1 5 . 1 1 38 38 ALA CA C 38 48.117 48.117 51.456 -3.339 18364 2499 1 5 . 1 1 38 38 ALA CB C 38 16.655 16.655 19.730 -3.075 18364 2500 1 5 . 1 1 38 38 ALA H H 38 7.486 7.486 8.121 -0.635 18364 2501 1 5 . 1 1 39 39 LYS N N 39 121.148 121.148 124.780 -3.632 18364 2502 1 5 . 1 1 39 39 LYS HA H 39 4.115 4.115 4.346 -0.231 18364 2503 1 5 . 1 1 39 39 LYS CA C 39 55.674 55.674 57.165 -1.491 18364 2504 1 5 . 1 1 39 39 LYS CB C 39 31.223 31.223 32.265 -1.042 18364 2505 1 5 . 1 1 39 39 LYS H H 39 8.042 8.042 8.585 -0.543 18364 2506 1 5 . 1 1 40 40 LEU N N 40 118.817 118.817 123.011 -4.194 18364 2507 1 5 . 1 1 40 40 LEU HA H 40 5.122 5.122 5.306 -0.184 18364 2508 1 5 . 1 1 40 40 LEU CA C 40 50.156 50.156 53.104 -2.948 18364 2509 1 5 . 1 1 40 40 LEU CB C 40 42.172 42.172 42.738 -0.566 18364 2510 1 5 . 1 1 40 40 LEU H H 40 7.901 7.901 8.404 -0.503 18364 2511 1 5 . 1 1 41 41 TYR N N 41 117.843 117.843 117.223 0.620 18364 2512 1 5 . 1 1 41 41 TYR HA H 41 5.303 5.303 5.209 0.094 18364 2513 1 5 . 1 1 41 41 TYR CA C 41 53.394 53.394 56.974 -3.580 18364 2514 1 5 . 1 1 41 41 TYR CB C 41 39.419 39.419 42.050 -2.631 18364 2515 1 5 . 1 1 41 41 TYR H H 41 9.109 9.109 9.197 -0.088 18364 2516 1 5 . 1 1 42 42 ASN N N 42 117.689 117.689 120.864 -3.175 18364 2517 1 5 . 1 1 42 42 ASN HA H 42 4.984 4.984 4.677 0.307 18364 2518 1 5 . 1 1 42 42 ASN CA C 42 48.001 48.001 52.650 -4.649 18364 2519 1 5 . 1 1 42 42 ASN CB C 42 36.514 36.514 39.648 -3.134 18364 2520 1 5 . 1 1 42 42 ASN H H 42 8.239 8.239 8.480 -0.241 18364 2521 1 5 . 1 1 43 43 ASP N N 43 116.760 116.760 117.925 -1.165 18364 2522 1 5 . 1 1 43 43 ASP HA H 43 4.170 4.170 4.759 -0.589 18364 2523 1 5 . 1 1 43 43 ASP CA C 43 53.123 53.123 54.495 -1.372 18364 2524 1 5 . 1 1 43 43 ASP CB C 43 37.355 37.355 40.615 -3.260 18364 2525 1 5 . 1 1 43 43 ASP H H 43 8.650 8.650 8.763 -0.113 18364 2526 1 5 . 1 1 44 44 LYS N N 44 118.108 118.108 118.983 -0.875 18364 2527 1 5 . 1 1 44 44 LYS HA H 44 4.359 4.359 4.463 -0.104 18364 2528 1 5 . 1 1 44 44 LYS CA C 44 52.676 52.676 56.276 -3.600 18364 2529 1 5 . 1 1 44 44 LYS CB C 44 30.170 30.170 32.704 -2.534 18364 2530 1 5 . 1 1 44 44 LYS H H 44 7.505 7.505 8.533 -1.028 18364 2531 1 5 . 1 1 45 45 GLY N N 45 108.163 108.163 106.769 1.394 18364 2532 1 5 . 1 1 45 45 GLY CA C 45 42.988 42.988 44.944 -1.956 18364 2533 1 5 . 1 1 45 45 GLY H H 45 8.117 8.117 8.290 -0.173 18364 2534 1 5 . 1 1 46 46 GLU N N 46 120.173 120.173 118.618 1.555 18364 2535 1 5 . 1 1 46 46 GLU HA H 46 4.345 4.345 4.703 -0.358 18364 2536 1 5 . 1 1 46 46 GLU CA C 46 52.409 52.409 54.665 -2.256 18364 2537 1 5 . 1 1 46 46 GLU CB C 46 27.408 27.408 31.851 -4.443 18364 2538 1 5 . 1 1 46 46 GLU H H 46 7.884 7.884 7.955 -0.071 18364 2539 1 5 . 1 1 47 47 TYR N N 47 123.803 123.803 126.210 -2.407 18364 2540 1 5 . 1 1 47 47 TYR HA H 47 4.351 4.351 3.870 0.481 18364 2541 1 5 . 1 1 47 47 TYR CA C 47 54.317 54.317 58.187 -3.870 18364 2542 1 5 . 1 1 47 47 TYR CB C 47 35.858 35.858 38.529 -2.671 18364 2543 1 5 . 1 1 47 47 TYR H H 47 8.710 8.710 8.850 -0.140 18364 2544 1 5 . 1 1 48 48 ILE N N 48 123.458 123.458 123.007 0.451 18364 2545 1 5 . 1 1 48 48 ILE HA H 48 4.173 4.173 4.150 0.023 18364 2546 1 5 . 1 1 48 48 ILE CA C 48 58.314 58.314 60.031 -1.717 18364 2547 1 5 . 1 1 48 48 ILE CB C 48 36.129 36.129 38.462 -2.333 18364 2548 1 5 . 1 1 48 48 ILE H H 48 8.416 8.416 7.835 0.581 18364 2549 1 5 . 1 1 49 49 GLY N N 49 107.257 107.257 109.374 -2.117 18364 2550 1 5 . 1 1 49 49 GLY CA C 49 41.367 41.367 45.533 -4.166 18364 2551 1 5 . 1 1 49 49 GLY H H 49 5.472 5.472 7.063 -1.591 18364 2552 1 5 . 1 1 50 50 ASP N N 50 116.887 116.887 118.633 -1.746 18364 2553 1 5 . 1 1 50 50 ASP HA H 50 5.043 5.043 4.965 0.078 18364 2554 1 5 . 1 1 50 50 ASP CA C 50 50.588 50.588 53.301 -2.713 18364 2555 1 5 . 1 1 50 50 ASP CB C 50 37.448 37.448 41.732 -4.284 18364 2556 1 5 . 1 1 50 50 ASP H H 50 8.234 8.234 8.573 -0.339 18364 2557 1 5 . 1 1 51 51 SER N N 51 112.664 112.664 113.798 -1.134 18364 2558 1 5 . 1 1 51 51 SER HA H 51 4.439 4.439 4.818 -0.379 18364 2559 1 5 . 1 1 51 51 SER CA C 51 55.489 55.489 57.880 -2.391 18364 2560 1 5 . 1 1 51 51 SER CB C 51 61.559 61.559 64.379 -2.820 18364 2561 1 5 . 1 1 51 51 SER H H 51 7.689 7.689 7.442 0.247 18364 2562 1 5 . 1 1 52 52 TYR N N 52 122.672 122.672 119.424 3.248 18364 2563 1 5 . 1 1 52 52 TYR HA H 52 4.732 4.732 4.766 -0.034 18364 2564 1 5 . 1 1 52 52 TYR CA C 52 55.168 55.168 57.627 -2.459 18364 2565 1 5 . 1 1 52 52 TYR CB C 52 38.599 38.599 38.467 0.132 18364 2566 1 5 . 1 1 52 52 TYR H H 52 8.231 8.231 7.960 0.271 18364 2567 1 5 . 1 1 53 53 SER N N 53 123.803 123.803 115.856 7.947 18364 2568 1 5 . 1 1 53 53 SER HA H 53 5.429 5.429 5.531 -0.102 18364 2569 1 5 . 1 1 53 53 SER CA C 53 53.508 53.508 56.871 -3.363 18364 2570 1 5 . 1 1 53 53 SER CB C 53 61.674 61.674 66.513 -4.839 18364 2571 1 5 . 1 1 53 53 SER H H 53 8.008 8.008 8.479 -0.471 18364 2572 1 5 . 1 1 54 54 ALA N N 54 125.516 125.516 123.520 1.996 18364 2573 1 5 . 1 1 54 54 ALA HA H 54 4.289 4.289 4.493 -0.204 18364 2574 1 5 . 1 1 54 54 ALA CA C 54 49.097 49.097 52.189 -3.092 18364 2575 1 5 . 1 1 54 54 ALA CB C 54 20.259 20.259 20.401 -0.142 18364 2576 1 5 . 1 1 54 54 ALA H H 54 8.089 8.089 8.456 -0.367 18364 2577 1 5 . 1 1 55 55 GLN N N 55 118.838 118.838 125.127 -6.289 18364 2578 1 5 . 1 1 55 55 GLN HA H 55 4.975 4.975 4.544 0.431 18364 2579 1 5 . 1 1 55 55 GLN CA C 55 52.306 52.306 55.927 -3.621 18364 2580 1 5 . 1 1 55 55 GLN CB C 55 26.138 26.138 29.814 -3.676 18364 2581 1 5 . 1 1 55 55 GLN H H 55 8.100 8.100 8.478 -0.378 18364 2582 1 5 . 1 1 56 56 ILE N N 56 124.748 124.748 124.180 0.568 18364 2583 1 5 . 1 1 56 56 ILE HA H 56 4.246 4.246 4.153 0.093 18364 2584 1 5 . 1 1 56 56 ILE CA C 56 57.529 57.529 61.611 -4.082 18364 2585 1 5 . 1 1 56 56 ILE CB C 56 34.915 34.915 36.857 -1.942 18364 2586 1 5 . 1 1 56 56 ILE H H 56 8.910 8.910 8.257 0.653 18364 2587 1 5 . 1 1 57 57 ARG N N 57 127.183 127.183 123.354 3.829 18364 2588 1 5 . 1 1 57 57 ARG HA H 57 4.777 4.777 4.600 0.177 18364 2589 1 5 . 1 1 57 57 ARG CA C 57 52.455 52.455 55.449 -2.994 18364 2590 1 5 . 1 1 57 57 ARG CB C 57 28.839 28.839 31.855 -3.016 18364 2591 1 5 . 1 1 57 57 ARG H H 57 8.979 8.979 8.610 0.369 18364 2592 1 5 . 1 1 58 58 THR N N 58 109.995 109.995 110.752 -0.757 18364 2593 1 5 . 1 1 58 58 THR HA H 58 4.529 4.529 4.720 -0.191 18364 2594 1 5 . 1 1 58 58 THR CA C 58 57.124 57.124 60.024 -2.900 18364 2595 1 5 . 1 1 58 58 THR CB C 58 68.143 68.143 71.154 -3.011 18364 2596 1 5 . 1 1 58 58 THR H H 58 7.150 7.150 7.515 -0.365 18364 2597 1 5 . 1 1 59 59 ALA N N 59 123.143 123.143 122.465 0.678 18364 2598 1 5 . 1 1 59 59 ALA HA H 59 4.167 4.167 4.188 -0.021 18364 2599 1 5 . 1 1 59 59 ALA CA C 59 52.603 52.603 54.208 -1.605 18364 2600 1 5 . 1 1 59 59 ALA CB C 59 16.910 16.910 18.844 -1.934 18364 2601 1 5 . 1 1 59 59 ALA H H 59 8.531 8.531 8.533 -0.002 18364 2602 1 5 . 1 1 60 60 THR N N 60 105.988 105.988 105.173 0.815 18364 2603 1 5 . 1 1 60 60 THR HA H 60 5.471 5.471 4.971 0.500 18364 2604 1 5 . 1 1 60 60 THR CA C 60 56.904 56.904 59.768 -2.864 18364 2605 1 5 . 1 1 60 60 THR CB C 60 69.111 69.111 71.604 -2.493 18364 2606 1 5 . 1 1 60 60 THR H H 60 7.521 7.521 7.471 0.050 18364 2607 1 5 . 1 1 61 61 MET N N 61 124.706 124.706 120.304 4.402 18364 2608 1 5 . 1 1 61 61 MET HA H 61 4.641 4.641 5.016 -0.375 18364 2609 1 5 . 1 1 61 61 MET CA C 61 52.883 52.883 53.962 -1.079 18364 2610 1 5 . 1 1 61 61 MET CB C 61 32.345 32.345 37.383 -5.038 18364 2611 1 5 . 1 1 61 61 MET H H 61 8.758 8.758 9.102 -0.344 18364 2612 1 5 . 1 1 62 62 SER N N 62 117.004 117.004 113.850 3.154 18364 2613 1 5 . 1 1 62 62 SER HA H 62 5.551 5.551 5.332 0.219 18364 2614 1 5 . 1 1 62 62 SER CA C 62 54.255 54.255 57.856 -3.601 18364 2615 1 5 . 1 1 62 62 SER CB C 62 64.130 64.130 65.785 -1.655 18364 2616 1 5 . 1 1 62 62 SER H H 62 8.164 8.164 8.456 -0.292 18364 2617 1 5 . 1 1 63 63 CYS N N 63 120.270 120.270 118.129 2.141 18364 2618 1 5 . 1 1 63 63 CYS HA H 63 5.075 5.075 5.545 -0.470 18364 2619 1 5 . 1 1 63 63 CYS CA C 63 54.676 54.676 58.156 -3.480 18364 2620 1 5 . 1 1 63 63 CYS CB C 63 28.679 28.679 32.811 -4.132 18364 2621 1 5 . 1 1 63 63 CYS H H 63 8.537 8.537 8.440 0.097 18364 2622 1 5 . 1 1 64 64 CYS N N 64 120.868 120.868 117.660 3.208 18364 2623 1 5 . 1 1 64 64 CYS HA H 64 5.918 5.918 5.632 0.286 18364 2624 1 5 . 1 1 64 64 CYS CA C 64 53.204 53.204 56.098 -2.894 18364 2625 1 5 . 1 1 64 64 CYS CB C 64 30.216 30.216 31.627 -1.411 18364 2626 1 5 . 1 1 64 64 CYS H H 64 9.307 9.307 9.220 0.087 18364 2627 1 5 . 1 1 65 65 THR N N 65 109.830 109.830 112.990 -3.160 18364 2628 1 5 . 1 1 65 65 THR HA H 65 5.426 5.426 5.176 0.250 18364 2629 1 5 . 1 1 65 65 THR CA C 65 58.465 58.465 60.500 -2.035 18364 2630 1 5 . 1 1 65 65 THR CB C 65 69.665 69.665 70.908 -1.243 18364 2631 1 5 . 1 1 65 65 THR H H 65 8.447 8.447 8.422 0.025 18364 2632 1 5 . 1 1 66 66 ASN N N 66 114.459 114.459 118.492 -4.033 18364 2633 1 5 . 1 1 66 66 ASN HA H 66 4.656 4.656 4.305 0.351 18364 2634 1 5 . 1 1 66 66 ASN CA C 66 49.879 49.879 53.197 -3.318 18364 2635 1 5 . 1 1 66 66 ASN CB C 66 36.267 36.267 38.737 -2.470 18364 2636 1 5 . 1 1 66 66 ASN H H 66 9.300 9.300 8.559 0.741 18364 2637 1 5 . 1 1 67 67 GLY N N 67 103.647 103.647 105.547 -1.900 18364 2638 1 5 . 1 1 67 67 GLY CA C 67 43.796 43.796 44.907 -1.111 18364 2639 1 5 . 1 1 67 67 GLY H H 67 8.237 8.237 8.500 -0.263 18364 2640 1 5 . 1 1 69 69 ALA N N 69 121.911 121.911 124.634 -2.723 18364 2641 1 5 . 1 1 69 69 ALA HA H 69 4.244 4.244 4.654 -0.410 18364 2642 1 5 . 1 1 69 69 ALA CA C 69 49.758 49.758 51.581 -1.823 18364 2643 1 5 . 1 1 69 69 ALA CB C 69 17.376 17.376 21.297 -3.921 18364 2644 1 5 . 1 1 69 69 ALA H H 69 7.677 7.677 7.785 -0.108 18364 2645 1 5 . 1 1 70 70 PHE N N 70 114.118 114.118 120.049 -5.931 18364 2646 1 5 . 1 1 70 70 PHE HA H 70 4.965 4.965 4.503 0.462 18364 2647 1 5 . 1 1 70 70 PHE CA C 70 53.129 53.129 60.579 -7.450 18364 2648 1 5 . 1 1 70 70 PHE CB C 70 37.917 37.917 40.771 -2.854 18364 2649 1 5 . 1 1 70 70 PHE H H 70 8.549 8.549 8.892 -0.343 18364 2650 1 5 . 1 1 71 71 PHE N N 71 110.252 110.252 111.664 -1.412 18364 2651 1 5 . 1 1 71 71 PHE HA H 71 4.247 4.247 4.121 0.126 18364 2652 1 5 . 1 1 71 71 PHE CA C 71 54.475 54.475 55.735 -1.260 18364 2653 1 5 . 1 1 71 71 PHE CB C 71 38.123 38.123 40.980 -2.857 18364 2654 1 5 . 1 1 71 71 PHE H H 71 6.617 6.617 6.993 -0.376 18364 2655 1 5 . 1 1 72 72 MET N N 72 118.637 118.637 118.808 -0.171 18364 2656 1 5 . 1 1 72 72 MET HA H 72 4.800 4.800 4.936 -0.136 18364 2657 1 5 . 1 1 72 72 MET CA C 72 53.108 53.108 54.589 -1.481 18364 2658 1 5 . 1 1 72 72 MET CB C 72 35.826 35.826 36.809 -0.983 18364 2659 1 5 . 1 1 72 72 MET H H 72 8.162 8.162 8.362 -0.200 18364 2660 1 5 . 1 1 73 73 THR N N 73 117.278 117.278 118.522 -1.244 18364 2661 1 5 . 1 1 73 73 THR HA H 73 5.018 5.018 5.318 -0.300 18364 2662 1 5 . 1 1 73 73 THR CA C 73 58.316 58.316 61.225 -2.909 18364 2663 1 5 . 1 1 73 73 THR CB C 73 69.118 69.118 72.117 -2.998 18364 2664 1 5 . 1 1 73 73 THR H H 73 9.220 9.220 9.129 0.091 18364 2665 1 5 . 1 1 74 74 CYS N N 74 124.101 124.101 124.803 -0.702 18364 2666 1 5 . 1 1 74 74 CYS HA H 74 5.076 5.076 5.087 -0.011 18364 2667 1 5 . 1 1 74 74 CYS CA C 74 54.219 54.219 57.852 -3.633 18364 2668 1 5 . 1 1 74 74 CYS CB C 74 27.012 27.012 28.263 -1.251 18364 2669 1 5 . 1 1 74 74 CYS H H 74 8.958 8.958 8.574 0.384 18364 2670 1 5 . 1 1 75 75 ALA N N 75 132.901 132.901 126.725 6.176 18364 2671 1 5 . 1 1 75 75 ALA HA H 75 4.975 4.975 4.823 0.152 18364 2672 1 5 . 1 1 75 75 ALA CA C 75 47.826 47.826 51.169 -3.343 18364 2673 1 5 . 1 1 75 75 ALA CB C 75 18.111 18.111 20.646 -2.535 18364 2674 1 5 . 1 1 75 75 ALA H H 75 8.834 8.834 8.026 0.808 18364 2675 1 5 . 1 1 76 76 GLY N N 76 110.691 110.691 106.565 4.126 18364 2676 1 5 . 1 1 76 76 GLY CA C 76 41.784 41.784 44.886 -3.102 18364 2677 1 5 . 1 1 76 76 GLY H H 76 8.265 8.265 8.158 0.107 18364 2678 1 5 . 1 1 77 77 SER N N 77 115.145 115.145 114.141 1.004 18364 2679 1 5 . 1 1 77 77 SER HA H 77 4.980 4.980 5.361 -0.381 18364 2680 1 5 . 1 1 77 77 SER CA C 77 54.022 54.022 56.834 -2.812 18364 2681 1 5 . 1 1 77 77 SER CB C 77 62.987 62.987 66.370 -3.383 18364 2682 1 5 . 1 1 77 77 SER H H 77 8.723 8.723 8.923 -0.200 18364 2683 1 5 . 1 1 78 78 VAL N N 78 124.775 124.775 123.762 1.013 18364 2684 1 5 . 1 1 78 78 VAL HA H 78 4.634 4.634 5.070 -0.436 18364 2685 1 5 . 1 1 78 78 VAL CA C 78 58.437 58.437 60.224 -1.787 18364 2686 1 5 . 1 1 78 78 VAL CB C 78 32.177 32.177 36.233 -4.056 18364 2687 1 5 . 1 1 78 78 VAL H H 78 8.963 8.963 8.817 0.146 18364 2688 1 5 . 1 1 79 79 SER N N 79 118.951 118.951 122.826 -3.875 18364 2689 1 5 . 1 1 79 79 SER HA H 79 5.619 5.619 5.192 0.427 18364 2690 1 5 . 1 1 79 79 SER CA C 79 53.011 53.011 57.081 -4.069 18364 2691 1 5 . 1 1 79 79 SER CB C 79 64.197 64.197 65.108 -0.911 18364 2692 1 5 . 1 1 79 79 SER H H 79 8.661 8.661 8.296 0.365 18364 2693 1 5 . 1 1 80 80 SER N N 80 114.750 114.750 118.169 -3.419 18364 2694 1 5 . 1 1 80 80 SER HA H 80 4.439 4.439 4.734 -0.295 18364 2695 1 5 . 1 1 80 80 SER CA C 80 56.198 56.198 56.264 -0.066 18364 2696 1 5 . 1 1 80 80 SER CB C 80 63.490 63.490 64.367 -0.877 18364 2697 1 5 . 1 1 80 80 SER H H 80 8.563 8.563 8.526 0.037 18364 2698 1 5 . 1 1 81 81 ILE N N 81 120.003 120.003 120.616 -0.613 18364 2699 1 5 . 1 1 81 81 ILE HA H 81 4.576 4.576 4.592 -0.016 18364 2700 1 5 . 1 1 81 81 ILE CA C 81 57.951 57.951 59.829 -1.878 18364 2701 1 5 . 1 1 81 81 ILE CB C 81 36.011 36.011 38.242 -2.231 18364 2702 1 5 . 1 1 81 81 ILE H H 81 8.366 8.366 8.721 -0.355 18364 2703 1 5 . 1 1 82 82 SER N N 82 119.139 119.139 117.872 1.267 18364 2704 1 5 . 1 1 82 82 SER HA H 82 4.158 4.158 4.294 -0.136 18364 2705 1 5 . 1 1 82 82 SER CA C 82 56.910 56.910 58.872 -1.962 18364 2706 1 5 . 1 1 82 82 SER CB C 82 62.055 62.055 64.382 -2.327 18364 2707 1 5 . 1 1 82 82 SER H H 82 8.204 8.204 7.374 0.830 18364 2708 1 5 . 1 1 83 83 GLU N N 83 118.350 118.350 120.025 -1.675 18364 2709 1 5 . 1 1 83 83 GLU HA H 83 4.133 4.133 4.216 -0.083 18364 2710 1 5 . 1 1 83 83 GLU CA C 83 53.267 53.267 56.398 -3.131 18364 2711 1 5 . 1 1 83 83 GLU CB C 83 27.763 27.763 30.127 -2.364 18364 2712 1 5 . 1 1 83 83 GLU H H 83 8.381 8.381 8.501 -0.120 18364 2713 1 5 . 1 1 84 84 ALA N N 84 121.665 121.665 123.581 -1.916 18364 2714 1 5 . 1 1 84 84 ALA HA H 84 3.542 3.542 4.046 -0.504 18364 2715 1 5 . 1 1 84 84 ALA CA C 84 50.621 50.621 53.090 -2.469 18364 2716 1 5 . 1 1 84 84 ALA CB C 84 16.540 16.540 19.019 -2.479 18364 2717 1 5 . 1 1 84 84 ALA H H 84 8.482 8.482 8.486 -0.004 18364 2718 1 5 . 1 1 85 85 GLY N N 85 108.356 108.356 109.891 -1.535 18364 2719 1 5 . 1 1 85 85 GLY CA C 85 42.955 42.955 45.599 -2.643 18364 2720 1 5 . 1 1 85 85 GLY H H 85 8.078 8.078 8.820 -0.742 18364 2721 1 5 . 1 1 86 86 LYS N N 86 121.491 121.491 121.015 0.476 18364 2722 1 5 . 1 1 86 86 LYS HA H 86 4.638 4.638 4.443 0.195 18364 2723 1 5 . 1 1 86 86 LYS CA C 86 51.073 51.073 55.499 -4.426 18364 2724 1 5 . 1 1 86 86 LYS CB C 86 29.750 29.750 33.483 -3.733 18364 2725 1 5 . 1 1 86 86 LYS H H 86 8.225 8.225 7.721 0.504 18364 2726 1 5 . 1 1 87 87 ARG N N 87 121.874 121.874 116.115 5.759 18364 2727 1 5 . 1 1 87 87 ARG HA H 87 5.673 5.673 4.656 1.017 18364 2728 1 5 . 1 1 87 87 ARG CA C 87 52.139 52.139 54.914 -2.776 18364 2729 1 5 . 1 1 87 87 ARG CB C 87 32.163 32.163 33.462 -1.299 18364 2730 1 5 . 1 1 87 87 ARG H H 87 9.979 9.979 8.132 1.847 18364 2731 1 5 . 1 1 88 88 LEU N N 88 125.264 125.264 118.985 6.279 18364 2732 1 5 . 1 1 88 88 LEU HA H 88 4.562 4.562 4.941 -0.379 18364 2733 1 5 . 1 1 88 88 LEU CA C 88 50.284 50.284 54.854 -4.570 18364 2734 1 5 . 1 1 88 88 LEU CB C 88 42.309 42.309 46.828 -4.519 18364 2735 1 5 . 1 1 88 88 LEU H H 88 8.756 8.756 8.624 0.132 18364 2736 1 5 . 1 1 89 89 HIS N N 89 125.453 125.453 122.926 2.527 18364 2737 1 5 . 1 1 89 89 HIS HA H 89 5.188 5.188 5.027 0.161 18364 2738 1 5 . 1 1 89 89 HIS CA C 89 51.389 51.389 54.925 -3.535 18364 2739 1 5 . 1 1 89 89 HIS CB C 89 27.731 27.731 33.681 -5.950 18364 2740 1 5 . 1 1 89 89 HIS H H 89 8.910 8.910 8.950 -0.040 18364 2741 1 5 . 1 1 90 90 ILE N N 90 126.486 126.486 127.743 -1.257 18364 2742 1 5 . 1 1 90 90 ILE HA H 90 5.020 5.020 4.602 0.418 18364 2743 1 5 . 1 1 90 90 ILE CA C 90 55.642 55.642 59.916 -4.274 18364 2744 1 5 . 1 1 90 90 ILE CB C 90 38.696 38.696 40.087 -1.391 18364 2745 1 5 . 1 1 90 90 ILE H H 90 8.689 8.689 7.805 0.884 18364 2746 1 5 . 1 1 91 91 THR N N 91 123.200 123.200 124.562 -1.362 18364 2747 1 5 . 1 1 91 91 THR HA H 91 5.017 5.017 4.519 0.498 18364 2748 1 5 . 1 1 91 91 THR CA C 91 58.555 58.555 62.303 -3.748 18364 2749 1 5 . 1 1 91 91 THR CB C 91 68.702 68.702 70.182 -1.480 18364 2750 1 5 . 1 1 91 91 THR H H 91 8.636 8.636 8.207 0.429 18364 2751 1 5 . 1 1 92 92 VAL N N 92 127.071 127.071 125.052 2.019 18364 2752 1 5 . 1 1 92 92 VAL HA H 92 5.018 5.018 4.644 0.374 18364 2753 1 5 . 1 1 92 92 VAL CA C 92 57.969 57.969 61.035 -3.066 18364 2754 1 5 . 1 1 92 92 VAL CB C 92 31.323 31.323 35.162 -3.839 18364 2755 1 5 . 1 1 92 92 VAL H H 92 9.162 9.162 8.705 0.457 18364 2756 1 5 . 1 1 93 93 ILE N N 93 127.095 127.095 125.817 1.278 18364 2757 1 5 . 1 1 93 93 ILE HA H 93 4.461 4.461 4.898 -0.437 18364 2758 1 5 . 1 1 93 93 ILE CA C 93 57.972 57.972 60.015 -2.043 18364 2759 1 5 . 1 1 93 93 ILE CB C 93 38.929 38.929 42.336 -3.407 18364 2760 1 5 . 1 1 93 93 ILE H H 93 9.313 9.313 9.161 0.152 18364 2761 1 5 . 1 1 94 94 GLY N N 94 111.893 111.893 112.390 -0.497 18364 2762 1 5 . 1 1 94 94 GLY CA C 94 41.781 41.781 43.345 -1.564 18364 2763 1 5 . 1 1 94 94 GLY H H 94 8.577 8.577 8.828 -0.251 18364 2764 1 5 . 1 1 95 95 TYR N N 95 123.099 123.099 121.384 1.715 18364 2765 1 5 . 1 1 95 95 TYR HA H 95 5.399 5.399 5.376 0.023 18364 2766 1 5 . 1 1 95 95 TYR CA C 95 54.052 54.052 56.941 -2.889 18364 2767 1 5 . 1 1 95 95 TYR CB C 95 41.285 41.285 43.771 -2.486 18364 2768 1 5 . 1 1 95 95 TYR H H 95 9.640 9.640 9.167 0.473 18364 2769 1 5 . 1 1 96 96 ILE N N 96 116.705 116.705 120.797 -4.092 18364 2770 1 5 . 1 1 96 96 ILE HA H 96 4.208 4.208 4.517 -0.309 18364 2771 1 5 . 1 1 96 96 ILE CA C 96 58.977 58.977 60.208 -1.231 18364 2772 1 5 . 1 1 96 96 ILE CB C 96 37.245 37.245 41.105 -3.861 18364 2773 1 5 . 1 1 96 96 ILE H H 96 8.270 8.270 9.171 -0.901 18364 2774 1 5 . 1 1 97 97 ASP N N 97 130.442 130.442 129.995 0.447 18364 2775 1 5 . 1 1 97 97 ASP HA H 97 4.165 4.165 4.185 -0.020 18364 2776 1 5 . 1 1 97 97 ASP CA C 97 53.736 53.736 55.825 -2.090 18364 2777 1 5 . 1 1 97 97 ASP CB C 97 36.870 36.870 40.147 -3.277 18364 2778 1 5 . 1 1 97 97 ASP H H 97 9.849 9.849 8.982 0.867 18364 2779 1 5 . 1 1 98 98 ASP N N 98 114.957 114.957 115.700 -0.743 18364 2780 1 5 . 1 1 98 98 ASP HA H 98 4.694 4.694 4.295 0.399 18364 2781 1 5 . 1 1 98 98 ASP CB C 98 36.266 36.266 40.888 -4.622 18364 2782 1 5 . 1 1 98 98 ASP H H 98 8.355 8.355 8.658 -0.303 18364 2783 1 5 . 1 1 99 99 LYS N N 99 121.680 121.680 117.805 3.875 18364 2784 1 5 . 1 1 99 99 LYS HA H 99 4.590 4.590 4.678 -0.088 18364 2785 1 5 . 1 1 99 99 LYS CA C 99 52.354 52.354 55.043 -2.689 18364 2786 1 5 . 1 1 99 99 LYS CB C 99 30.958 30.958 35.719 -4.761 18364 2787 1 5 . 1 1 99 99 LYS H H 99 8.049 8.049 7.904 0.145 18364 2788 1 5 . 1 1 100 100 GLU N N 100 127.574 127.574 123.175 4.399 18364 2789 1 5 . 1 1 100 100 GLU HA H 100 3.804 3.804 3.922 -0.118 18364 2790 1 5 . 1 1 100 100 GLU CA C 100 54.562 54.562 55.889 -1.327 18364 2791 1 5 . 1 1 100 100 GLU CB C 100 26.808 26.808 29.999 -3.191 18364 2792 1 5 . 1 1 100 100 GLU H H 100 8.839 8.839 8.420 0.419 18364 2793 1 5 . 1 1 101 101 VAL N N 101 120.606 120.606 115.571 5.035 18364 2794 1 5 . 1 1 101 101 VAL HA H 101 4.534 4.534 4.459 0.075 18364 2795 1 5 . 1 1 101 101 VAL CA C 101 58.379 58.379 61.446 -3.067 18364 2796 1 5 . 1 1 101 101 VAL CB C 101 31.223 31.223 33.047 -1.824 18364 2797 1 5 . 1 1 101 101 VAL H H 101 8.997 8.997 8.732 0.265 18364 2798 1 5 . 1 1 102 102 ASN N N 102 118.568 118.568 119.263 -0.695 18364 2799 1 5 . 1 1 102 102 ASN HA H 102 4.782 4.782 4.871 -0.089 18364 2800 1 5 . 1 1 102 102 ASN CA C 102 50.154 50.154 53.608 -3.454 18364 2801 1 5 . 1 1 102 102 ASN CB C 102 38.848 38.848 41.653 -2.805 18364 2802 1 5 . 1 1 102 102 ASN H H 102 7.598 7.598 7.633 -0.035 18364 2803 1 5 . 1 1 103 103 ARG N N 103 120.366 120.366 119.853 0.513 18364 2804 1 5 . 1 1 103 103 ARG HA H 103 5.051 5.051 5.338 -0.287 18364 2805 1 5 . 1 1 103 103 ARG CA C 103 52.900 52.900 55.222 -2.322 18364 2806 1 5 . 1 1 103 103 ARG CB C 103 31.710 31.710 33.079 -1.369 18364 2807 1 5 . 1 1 103 103 ARG H H 103 8.155 8.155 8.445 -0.290 18364 2808 1 5 . 1 1 104 104 LEU N N 104 128.859 128.859 117.951 10.908 18364 2809 1 5 . 1 1 104 104 LEU HA H 104 4.553 4.553 4.793 -0.240 18364 2810 1 5 . 1 1 104 104 LEU CA C 104 51.272 51.272 54.795 -3.523 18364 2811 1 5 . 1 1 104 104 LEU CB C 104 43.549 43.549 44.942 -1.393 18364 2812 1 5 . 1 1 104 104 LEU H H 104 9.271 9.271 8.422 0.849 18364 2813 1 5 . 1 1 105 105 GLU N N 105 125.663 125.663 124.241 1.422 18364 2814 1 5 . 1 1 105 105 GLU HA H 105 5.179 5.179 4.920 0.259 18364 2815 1 5 . 1 1 105 105 GLU CA C 105 51.966 51.966 56.593 -4.627 18364 2816 1 5 . 1 1 105 105 GLU CB C 105 29.358 29.358 30.497 -1.139 18364 2817 1 5 . 1 1 105 105 GLU H H 105 8.346 8.346 8.630 -0.284 18364 2818 1 5 . 1 1 106 106 LYS N N 106 123.659 123.659 120.246 3.413 18364 2819 1 5 . 1 1 106 106 LYS HA H 106 4.281 4.281 4.413 -0.132 18364 2820 1 5 . 1 1 106 106 LYS CA C 106 51.118 51.118 53.655 -2.537 18364 2821 1 5 . 1 1 106 106 LYS CB C 106 34.761 34.761 35.970 -1.209 18364 2822 1 5 . 1 1 106 106 LYS H H 106 8.526 8.526 8.140 0.386 18364 2823 1 5 . 1 1 107 107 GLU N N 107 121.917 121.917 119.549 2.368 18364 2824 1 5 . 1 1 107 107 GLU HA H 107 4.949 4.949 4.717 0.232 18364 2825 1 5 . 1 1 107 107 GLU CA C 107 51.404 51.404 55.175 -3.771 18364 2826 1 5 . 1 1 107 107 GLU CB C 107 29.906 29.906 31.941 -2.035 18364 2827 1 5 . 1 1 107 107 GLU H H 107 7.773 7.773 8.045 -0.272 18364 2828 1 5 . 1 1 108 108 TYR N N 108 124.981 124.981 123.700 1.281 18364 2829 1 5 . 1 1 108 108 TYR HA H 108 4.720 4.720 4.919 -0.199 18364 2830 1 5 . 1 1 108 108 TYR CA C 108 54.188 54.188 56.239 -2.051 18364 2831 1 5 . 1 1 108 108 TYR CB C 108 39.101 39.101 42.602 -3.501 18364 2832 1 5 . 1 1 108 108 TYR H H 108 9.031 9.031 8.775 0.256 18364 2833 1 5 . 1 1 109 109 ILE N N 109 121.680 121.680 118.712 2.968 18364 2834 1 5 . 1 1 109 109 ILE HA H 109 5.471 5.471 4.727 0.744 18364 2835 1 5 . 1 1 109 109 ILE CA C 109 56.592 56.592 60.342 -3.750 18364 2836 1 5 . 1 1 109 109 ILE CB C 109 38.728 38.728 42.420 -3.692 18364 2837 1 5 . 1 1 109 109 ILE H H 109 8.475 8.475 8.458 0.017 18364 2838 1 5 . 1 1 110 110 THR N N 110 117.537 117.537 116.705 0.832 18364 2839 1 5 . 1 1 110 110 THR HA H 110 4.521 4.521 4.593 -0.072 18364 2840 1 5 . 1 1 110 110 THR CA C 110 59.337 59.337 61.038 -1.701 18364 2841 1 5 . 1 1 110 110 THR CB C 110 67.143 67.143 70.361 -3.218 18364 2842 1 5 . 1 1 110 110 THR H H 110 9.180 9.180 8.874 0.306 18364 2843 1 5 . 1 1 111 111 ASP N N 111 122.428 122.428 125.074 -2.646 18364 2844 1 5 . 1 1 111 111 ASP HA H 111 4.721 4.721 4.732 -0.011 18364 2845 1 5 . 1 1 111 111 ASP CA C 111 50.135 50.135 53.564 -3.429 18364 2846 1 5 . 1 1 111 111 ASP CB C 111 39.613 39.613 41.217 -1.604 18364 2847 1 5 . 1 1 111 111 ASP H H 111 9.342 9.342 8.721 0.621 18364 2848 1 5 . 1 1 112 112 GLY N N 112 110.714 110.714 107.148 3.566 18364 2849 1 5 . 1 1 112 112 GLY CA C 112 43.084 43.084 44.948 -1.864 18364 2850 1 5 . 1 1 112 112 GLY H H 112 8.333 8.333 8.559 -0.226 18364 2851 1 5 . 1 1 113 113 ASN N N 113 119.462 119.462 118.846 0.616 18364 2852 1 5 . 1 1 113 113 ASN HA H 113 4.926 4.926 4.884 0.042 18364 2853 1 5 . 1 1 113 113 ASN CA C 113 49.373 49.373 52.518 -3.145 18364 2854 1 5 . 1 1 113 113 ASN CB C 113 37.377 37.377 39.123 -1.746 18364 2855 1 5 . 1 1 113 113 ASN H H 113 8.210 8.210 8.072 0.138 18364 2856 1 5 . 1 1 114 114 THR N N 114 117.962 117.962 113.019 4.943 18364 2857 1 5 . 1 1 114 114 THR HA H 114 4.136 4.136 4.187 -0.051 18364 2858 1 5 . 1 1 114 114 THR CA C 114 62.066 62.066 62.381 -0.315 18364 2859 1 5 . 1 1 114 114 THR CB C 114 66.489 66.489 69.583 -3.094 18364 2860 1 5 . 1 1 114 114 THR H H 114 8.436 8.436 8.106 0.330 18364 2861 1 5 . 1 1 115 115 LEU N N 115 132.998 132.998 127.107 5.891 18364 2862 1 5 . 1 1 115 115 LEU HA H 115 4.607 4.607 4.621 -0.014 18364 2863 1 5 . 1 1 115 115 LEU CA C 115 52.335 52.335 54.551 -2.216 18364 2864 1 5 . 1 1 115 115 LEU CB C 115 41.546 41.546 44.189 -2.643 18364 2865 1 5 . 1 1 115 115 LEU H H 115 8.789 8.789 8.558 0.231 18364 2866 1 5 . 1 1 116 116 ILE N N 116 126.586 126.586 122.817 3.769 18364 2867 1 5 . 1 1 116 116 ILE HA H 116 4.784 4.784 5.128 -0.344 18364 2868 1 5 . 1 1 116 116 ILE CA C 116 58.270 58.270 59.800 -1.530 18364 2869 1 5 . 1 1 116 116 ILE CB C 116 37.909 37.909 42.149 -4.240 18364 2870 1 5 . 1 1 116 116 ILE H H 116 8.637 8.637 8.293 0.344 18364 2871 1 5 . 1 1 117 117 GLU N N 117 127.084 127.084 123.759 3.325 18364 2872 1 5 . 1 1 117 117 GLU HA H 117 4.830 4.830 4.784 0.046 18364 2873 1 5 . 1 1 117 117 GLU CA C 117 51.847 51.847 54.477 -2.630 18364 2874 1 5 . 1 1 117 117 GLU CB C 117 32.299 32.299 34.469 -2.170 18364 2875 1 5 . 1 1 117 117 GLU H H 117 8.933 8.933 8.952 -0.019 18364 2876 1 5 . 1 1 118 118 THR N N 118 110.826 110.826 111.846 -1.020 18364 2877 1 5 . 1 1 118 118 THR HA H 118 5.190 5.190 5.044 0.146 18364 2878 1 5 . 1 1 118 118 THR CA C 118 57.036 57.036 60.478 -3.442 18364 2879 1 5 . 1 1 118 118 THR CB C 118 69.888 69.888 71.451 -1.563 18364 2880 1 5 . 1 1 118 118 THR H H 118 8.664 8.664 8.430 0.234 18364 2881 1 5 . 1 1 119 119 PHE N N 119 115.915 115.915 118.144 -2.229 18364 2882 1 5 . 1 1 119 119 PHE HA H 119 4.999 4.999 5.021 -0.022 18364 2883 1 5 . 1 1 119 119 PHE CA C 119 53.804 53.804 56.636 -2.832 18364 2884 1 5 . 1 1 119 119 PHE CB C 119 39.787 39.787 40.983 -1.196 18364 2885 1 5 . 1 1 119 119 PHE H H 119 8.087 8.087 7.995 0.092 18364 2886 1 5 . 1 1 120 120 SER N N 120 114.953 114.953 115.189 -0.236 18364 2887 1 5 . 1 1 120 120 SER HA H 120 5.383 5.383 5.134 0.249 18364 2888 1 5 . 1 1 120 120 SER CA C 120 55.192 55.192 57.547 -2.355 18364 2889 1 5 . 1 1 120 120 SER CB C 120 62.113 62.113 65.387 -3.274 18364 2890 1 5 . 1 1 120 120 SER H H 120 8.627 8.627 8.534 0.093 18364 2891 1 5 . 1 1 121 121 VAL N N 121 124.122 124.122 126.125 -2.003 18364 2892 1 5 . 1 1 121 121 VAL HA H 121 4.349 4.349 4.520 -0.171 18364 2893 1 5 . 1 1 121 121 VAL CA C 121 59.005 59.005 61.732 -2.727 18364 2894 1 5 . 1 1 121 121 VAL CB C 121 34.127 34.127 33.174 0.953 18364 2895 1 5 . 1 1 121 121 VAL H H 121 8.866 8.866 8.509 0.357 18364 2896 1 5 . 1 1 122 122 SER N N 122 119.703 119.703 120.165 -0.462 18364 2897 1 5 . 1 1 122 122 SER HA H 122 5.598 5.598 4.676 0.922 18364 2898 1 5 . 1 1 122 122 SER CA C 122 53.065 53.065 58.764 -5.699 18364 2899 1 5 . 1 1 122 122 SER CB C 122 63.442 63.442 64.247 -0.805 18364 2900 1 5 . 1 1 122 122 SER H H 122 8.334 8.334 8.572 -0.238 18364 2901 1 5 . 1 1 123 123 THR N N 123 113.276 113.276 108.482 4.794 18364 2902 1 5 . 1 1 123 123 THR HA H 123 4.093 4.093 4.620 -0.527 18364 2903 1 5 . 1 1 123 123 THR CA C 123 60.143 60.143 61.631 -1.488 18364 2904 1 5 . 1 1 123 123 THR CB C 123 64.437 64.437 70.001 -5.564 18364 2905 1 5 . 1 1 123 123 THR H H 123 8.898 8.898 8.289 0.609 18364 2906 1 5 . 1 1 124 124 LYS N N 124 119.191 119.191 121.377 -2.186 18364 2907 1 5 . 1 1 124 124 LYS HA H 124 4.324 4.324 4.581 -0.257 18364 2908 1 5 . 1 1 124 124 LYS CA C 124 53.486 53.486 56.530 -3.044 18364 2909 1 5 . 1 1 124 124 LYS CB C 124 32.376 32.376 34.075 -1.699 18364 2910 1 5 . 1 1 124 124 LYS H H 124 7.569 7.569 8.214 -0.645 18364 2911 1 5 . 1 1 125 125 GLU N N 125 124.243 124.243 122.561 1.682 18364 2912 1 5 . 1 1 125 125 GLU HA H 125 4.255 4.255 4.511 -0.256 18364 2913 1 5 . 1 1 125 125 GLU CA C 125 53.830 53.830 55.813 -1.983 18364 2914 1 5 . 1 1 125 125 GLU CB C 125 27.674 27.674 31.661 -3.987 18364 2915 1 5 . 1 1 125 125 GLU H H 125 8.359 8.359 8.256 0.103 18364 2916 1 6 . 1 1 2 2 ALA CA C 2 50.698 50.698 51.919 -1.221 18364 2917 1 6 . 1 1 2 2 ALA CB C 2 16.688 16.688 19.002 -2.314 18364 2918 1 6 . 1 1 3 3 SER N N 3 113.663 113.663 114.943 -1.280 18364 2919 1 6 . 1 1 3 3 SER HA H 3 4.296 4.296 4.447 -0.151 18364 2920 1 6 . 1 1 3 3 SER CA C 3 55.573 55.573 57.675 -2.103 18364 2921 1 6 . 1 1 3 3 SER CB C 3 60.888 60.888 64.756 -3.868 18364 2922 1 6 . 1 1 3 3 SER H H 3 8.301 8.301 7.863 0.438 18364 2923 1 6 . 1 1 4 4 ASP N N 4 121.532 121.532 122.482 -0.950 18364 2924 1 6 . 1 1 4 4 ASP HA H 4 4.394 4.394 4.566 -0.172 18364 2925 1 6 . 1 1 4 4 ASP CA C 4 51.748 51.748 53.537 -1.789 18364 2926 1 6 . 1 1 4 4 ASP CB C 4 38.614 38.614 41.506 -2.892 18364 2927 1 6 . 1 1 4 4 ASP H H 4 7.874 7.874 8.032 -0.158 18364 2928 1 6 . 1 1 5 5 PHE N N 5 119.126 119.126 123.403 -4.277 18364 2929 1 6 . 1 1 5 5 PHE HA H 5 4.535 4.535 4.857 -0.322 18364 2930 1 6 . 1 1 5 5 PHE CA C 5 54.589 54.589 57.059 -2.470 18364 2931 1 6 . 1 1 5 5 PHE CB C 5 37.079 37.079 38.773 -1.694 18364 2932 1 6 . 1 1 5 5 PHE H H 5 7.832 7.832 8.520 -0.688 18364 2933 1 6 . 1 1 6 6 GLN N N 6 122.092 122.092 124.976 -2.884 18364 2934 1 6 . 1 1 6 6 GLN HA H 6 4.417 4.417 4.783 -0.366 18364 2935 1 6 . 1 1 6 6 GLN CA C 6 53.128 53.128 55.464 -2.336 18364 2936 1 6 . 1 1 6 6 GLN CB C 6 27.477 27.477 29.904 -2.426 18364 2937 1 6 . 1 1 6 6 GLN H H 6 8.447 8.447 8.868 -0.421 18364 2938 1 6 . 1 1 7 7 THR N N 7 114.717 114.717 115.447 -0.730 18364 2939 1 6 . 1 1 7 7 THR HA H 7 5.035 5.035 4.762 0.273 18364 2940 1 6 . 1 1 7 7 THR CA C 7 57.906 57.906 61.977 -4.071 18364 2941 1 6 . 1 1 7 7 THR CB C 7 68.370 68.370 70.598 -2.228 18364 2942 1 6 . 1 1 7 7 THR H H 7 8.145 8.145 8.352 -0.207 18364 2943 1 6 . 1 1 8 8 GLY N N 8 111.628 111.628 109.679 1.949 18364 2944 1 6 . 1 1 8 8 GLY CA C 8 43.774 43.774 45.632 -1.858 18364 2945 1 6 . 1 1 8 8 GLY H H 8 9.234 9.234 8.200 1.034 18364 2946 1 6 . 1 1 9 9 ILE N N 9 119.585 119.585 123.213 -3.628 18364 2947 1 6 . 1 1 9 9 ILE HA H 9 3.934 3.934 4.450 -0.516 18364 2948 1 6 . 1 1 9 9 ILE CA C 9 58.907 58.907 60.070 -1.163 18364 2949 1 6 . 1 1 9 9 ILE CB C 9 35.738 35.738 38.678 -2.941 18364 2950 1 6 . 1 1 9 9 ILE H H 9 8.603 8.603 8.206 0.397 18364 2951 1 6 . 1 1 10 10 HIS N N 10 133.616 133.616 127.896 5.720 18364 2952 1 6 . 1 1 10 10 HIS HA H 10 5.185 5.185 5.006 0.179 18364 2953 1 6 . 1 1 10 10 HIS CA C 10 53.587 53.587 56.803 -3.216 18364 2954 1 6 . 1 1 10 10 HIS CB C 10 30.817 30.817 31.158 -0.341 18364 2955 1 6 . 1 1 10 10 HIS H H 10 8.599 8.599 9.022 -0.423 18364 2956 1 6 . 1 1 11 11 LYS N N 11 122.949 122.949 120.222 2.727 18364 2957 1 6 . 1 1 11 11 LYS HA H 11 5.236 5.236 5.237 -0.001 18364 2958 1 6 . 1 1 11 11 LYS CA C 11 52.748 52.748 55.071 -2.323 18364 2959 1 6 . 1 1 11 11 LYS CB C 11 35.137 35.137 36.704 -1.567 18364 2960 1 6 . 1 1 11 11 LYS H H 11 8.775 8.775 8.542 0.233 18364 2961 1 6 . 1 1 12 12 ILE N N 12 125.260 125.260 122.262 2.998 18364 2962 1 6 . 1 1 12 12 ILE HA H 12 5.273 5.273 5.084 0.189 18364 2963 1 6 . 1 1 12 12 ILE CA C 12 55.780 55.780 58.903 -3.123 18364 2964 1 6 . 1 1 12 12 ILE CB C 12 38.767 38.767 42.360 -3.593 18364 2965 1 6 . 1 1 12 12 ILE H H 12 8.578 8.578 9.064 -0.486 18364 2966 1 6 . 1 1 13 13 VAL N N 13 126.515 126.515 123.862 2.653 18364 2967 1 6 . 1 1 13 13 VAL HA H 13 4.795 4.795 4.651 0.144 18364 2968 1 6 . 1 1 13 13 VAL CA C 13 58.115 58.115 61.171 -3.056 18364 2969 1 6 . 1 1 13 13 VAL CB C 13 32.948 32.948 35.431 -2.483 18364 2970 1 6 . 1 1 13 13 VAL H H 13 9.052 9.052 9.006 0.046 18364 2971 1 6 . 1 1 14 14 ILE N N 14 125.803 125.803 125.977 -0.174 18364 2972 1 6 . 1 1 14 14 ILE HA H 14 5.008 5.008 5.170 -0.162 18364 2973 1 6 . 1 1 14 14 ILE CA C 14 57.539 57.539 59.497 -1.958 18364 2974 1 6 . 1 1 14 14 ILE CB C 14 38.656 38.656 42.307 -3.651 18364 2975 1 6 . 1 1 14 14 ILE H H 14 8.974 8.974 8.177 0.797 18364 2976 1 6 . 1 1 15 15 GLN N N 15 125.773 125.773 121.143 4.630 18364 2977 1 6 . 1 1 15 15 GLN HA H 15 5.433 5.433 5.025 0.408 18364 2978 1 6 . 1 1 15 15 GLN CA C 15 51.002 51.002 54.482 -3.480 18364 2979 1 6 . 1 1 15 15 GLN CB C 15 29.637 29.637 33.773 -4.136 18364 2980 1 6 . 1 1 15 15 GLN H H 15 9.244 9.244 8.687 0.557 18364 2981 1 6 . 1 1 16 16 GLN N N 16 119.832 119.832 118.956 0.876 18364 2982 1 6 . 1 1 16 16 GLN HA H 16 5.741 5.741 5.206 0.535 18364 2983 1 6 . 1 1 16 16 GLN CA C 16 50.572 50.572 54.199 -3.627 18364 2984 1 6 . 1 1 16 16 GLN CB C 16 30.039 30.039 32.978 -2.939 18364 2985 1 6 . 1 1 16 16 GLN H H 16 8.964 8.964 8.526 0.438 18364 2986 1 6 . 1 1 17 17 SER N N 17 115.201 115.201 116.038 -0.837 18364 2987 1 6 . 1 1 17 17 SER HA H 17 4.526 4.526 4.856 -0.330 18364 2988 1 6 . 1 1 17 17 SER CA C 17 54.831 54.831 57.187 -2.356 18364 2989 1 6 . 1 1 17 17 SER CB C 17 62.930 62.930 64.758 -1.828 18364 2990 1 6 . 1 1 17 17 SER H H 17 8.770 8.770 8.426 0.344 18364 2991 1 6 . 1 1 18 18 GLY N N 18 109.321 109.321 110.678 -1.357 18364 2992 1 6 . 1 1 18 18 GLY CA C 18 41.737 41.737 44.973 -3.236 18364 2993 1 6 . 1 1 18 18 GLY H H 18 8.798 8.798 8.232 0.566 18364 2994 1 6 . 1 1 19 19 ASP N N 19 128.121 128.121 124.657 3.464 18364 2995 1 6 . 1 1 19 19 ASP HA H 19 5.071 5.071 4.909 0.162 18364 2996 1 6 . 1 1 19 19 ASP CA C 19 51.251 51.251 52.316 -1.065 18364 2997 1 6 . 1 1 19 19 ASP CB C 19 37.872 37.872 40.046 -2.174 18364 2998 1 6 . 1 1 19 19 ASP H H 19 9.708 9.708 8.460 1.248 18364 2999 1 6 . 1 1 20 20 THR N N 20 111.610 111.610 114.710 -3.100 18364 3000 1 6 . 1 1 20 20 THR HA H 20 3.615 3.615 4.472 -0.857 18364 3001 1 6 . 1 1 20 20 THR CA C 20 63.331 63.331 62.653 0.678 18364 3002 1 6 . 1 1 20 20 THR CB C 20 64.873 64.873 67.591 -2.717 18364 3003 1 6 . 1 1 20 20 THR H H 20 8.136 8.136 7.995 0.141 18364 3004 1 6 . 1 1 21 21 ASP N N 21 118.304 118.304 119.794 -1.490 18364 3005 1 6 . 1 1 21 21 ASP HA H 21 4.639 4.639 4.932 -0.293 18364 3006 1 6 . 1 1 21 21 ASP CA C 21 52.945 52.945 54.481 -1.536 18364 3007 1 6 . 1 1 21 21 ASP CB C 21 37.785 37.785 42.705 -4.920 18364 3008 1 6 . 1 1 21 21 ASP H H 21 8.566 8.566 8.220 0.346 18364 3009 1 6 . 1 1 22 22 SER N N 22 114.253 114.253 114.006 0.247 18364 3010 1 6 . 1 1 22 22 SER HA H 22 4.384 4.384 4.450 -0.066 18364 3011 1 6 . 1 1 22 22 SER CA C 22 57.170 57.170 58.569 -1.399 18364 3012 1 6 . 1 1 22 22 SER CB C 22 61.441 61.441 64.977 -3.536 18364 3013 1 6 . 1 1 22 22 SER H H 22 8.076 8.076 7.806 0.270 18364 3014 1 6 . 1 1 23 23 PHE N N 23 119.853 119.853 120.013 -0.160 18364 3015 1 6 . 1 1 23 23 PHE HA H 23 5.010 5.010 5.229 -0.219 18364 3016 1 6 . 1 1 23 23 PHE CA C 23 53.272 53.272 56.522 -3.250 18364 3017 1 6 . 1 1 23 23 PHE CB C 23 42.021 42.021 42.268 -0.247 18364 3018 1 6 . 1 1 23 23 PHE H H 23 7.611 7.611 7.786 -0.175 18364 3019 1 6 . 1 1 24 24 GLU N N 24 119.255 119.255 123.353 -4.098 18364 3020 1 6 . 1 1 24 24 GLU HA H 24 4.571 4.571 4.768 -0.197 18364 3021 1 6 . 1 1 24 24 GLU CA C 24 52.642 52.642 55.263 -2.621 18364 3022 1 6 . 1 1 24 24 GLU CB C 24 28.881 28.881 31.637 -2.756 18364 3023 1 6 . 1 1 24 24 GLU H H 24 8.958 8.958 8.659 0.299 18364 3024 1 6 . 1 1 25 25 VAL N N 25 130.637 130.637 126.651 3.986 18364 3025 1 6 . 1 1 25 25 VAL HA H 25 4.859 4.859 4.862 -0.003 18364 3026 1 6 . 1 1 25 25 VAL CA C 25 58.548 58.548 60.994 -2.446 18364 3027 1 6 . 1 1 25 25 VAL CB C 25 30.439 30.439 32.161 -1.722 18364 3028 1 6 . 1 1 25 25 VAL H H 25 9.678 9.678 8.729 0.949 18364 3029 1 6 . 1 1 26 26 SER N N 26 122.555 122.555 121.838 0.717 18364 3030 1 6 . 1 1 26 26 SER HA H 26 5.289 5.289 4.793 0.496 18364 3031 1 6 . 1 1 26 26 SER CA C 26 54.088 54.088 57.001 -2.913 18364 3032 1 6 . 1 1 26 26 SER CB C 26 62.476 62.476 64.008 -1.532 18364 3033 1 6 . 1 1 26 26 SER H H 26 8.883 8.883 8.183 0.700 18364 3034 1 6 . 1 1 27 27 VAL N N 27 113.682 113.682 119.440 -5.758 18364 3035 1 6 . 1 1 27 27 VAL HA H 27 5.269 5.269 4.767 0.502 18364 3036 1 6 . 1 1 27 27 VAL CA C 27 56.005 56.005 59.513 -3.508 18364 3037 1 6 . 1 1 27 27 VAL CB C 27 34.158 34.158 35.213 -1.055 18364 3038 1 6 . 1 1 27 27 VAL H H 27 8.493 8.493 7.730 0.763 18364 3039 1 6 . 1 1 28 28 SER N N 28 116.852 116.852 120.666 -3.814 18364 3040 1 6 . 1 1 28 28 SER HA H 28 5.410 5.410 4.652 0.758 18364 3041 1 6 . 1 1 28 28 SER CA C 28 54.633 54.633 58.792 -4.159 18364 3042 1 6 . 1 1 28 28 SER CB C 28 62.095 62.095 63.876 -1.780 18364 3043 1 6 . 1 1 28 28 SER H H 28 8.709 8.709 8.961 -0.252 18364 3044 1 6 . 1 1 29 29 ILE N N 29 128.765 128.765 126.930 1.835 18364 3045 1 6 . 1 1 29 29 ILE HA H 29 5.224 5.224 4.776 0.448 18364 3046 1 6 . 1 1 29 29 ILE CA C 29 57.247 57.247 60.286 -3.039 18364 3047 1 6 . 1 1 29 29 ILE CB C 29 39.144 39.144 40.883 -1.740 18364 3048 1 6 . 1 1 29 29 ILE H H 29 9.631 9.631 8.617 1.014 18364 3049 1 6 . 1 1 30 30 GLY N N 30 112.478 112.478 112.957 -0.479 18364 3050 1 6 . 1 1 30 30 GLY CA C 30 42.140 42.140 44.438 -2.297 18364 3051 1 6 . 1 1 30 30 GLY H H 30 8.095 8.095 7.809 0.286 18364 3052 1 6 . 1 1 31 31 GLY N N 31 108.502 108.502 104.810 3.692 18364 3053 1 6 . 1 1 31 31 GLY CA C 31 43.201 43.201 44.636 -1.435 18364 3054 1 6 . 1 1 31 31 GLY H H 31 9.755 9.755 8.066 1.689 18364 3055 1 6 . 1 1 32 32 ALA N N 32 122.020 122.020 120.322 1.698 18364 3056 1 6 . 1 1 32 32 ALA HA H 32 4.967 4.967 5.275 -0.308 18364 3057 1 6 . 1 1 32 32 ALA CA C 32 48.540 48.540 49.829 -1.289 18364 3058 1 6 . 1 1 32 32 ALA CB C 32 21.078 21.078 22.900 -1.822 18364 3059 1 6 . 1 1 32 32 ALA H H 32 7.338 7.338 7.161 0.177 18364 3060 1 6 . 1 1 33 33 ASP N N 33 121.217 121.217 120.244 0.973 18364 3061 1 6 . 1 1 33 33 ASP HA H 33 3.680 3.680 4.946 -1.266 18364 3062 1 6 . 1 1 33 33 ASP CA C 33 49.520 49.520 52.180 -2.660 18364 3063 1 6 . 1 1 33 33 ASP CB C 33 40.840 40.840 42.928 -2.088 18364 3064 1 6 . 1 1 33 33 ASP H H 33 8.945 8.945 8.762 0.183 18364 3065 1 6 . 1 1 34 34 LYS N N 34 117.693 117.693 120.049 -2.356 18364 3066 1 6 . 1 1 34 34 LYS HA H 34 4.017 4.017 4.419 -0.402 18364 3067 1 6 . 1 1 34 34 LYS CA C 34 56.700 56.700 56.387 0.313 18364 3068 1 6 . 1 1 34 34 LYS CB C 34 29.772 29.772 31.120 -1.348 18364 3069 1 6 . 1 1 34 34 LYS H H 34 8.200 8.200 8.444 -0.244 18364 3070 1 6 . 1 1 35 35 GLY N N 35 106.697 106.697 110.861 -4.164 18364 3071 1 6 . 1 1 35 35 GLY CA C 35 42.719 42.719 44.668 -1.949 18364 3072 1 6 . 1 1 35 35 GLY H H 35 8.653 8.653 8.209 0.444 18364 3073 1 6 . 1 1 36 36 GLY N N 36 110.824 110.824 109.505 1.319 18364 3074 1 6 . 1 1 36 36 GLY CA C 36 41.099 41.099 44.956 -3.857 18364 3075 1 6 . 1 1 36 36 GLY H H 36 7.601 7.601 8.847 -1.246 18364 3076 1 6 . 1 1 37 37 PRO HA H 37 4.571 4.571 4.676 -0.105 18364 3077 1 6 . 1 1 37 37 PRO CA C 37 60.012 60.012 62.236 -2.224 18364 3078 1 6 . 1 1 37 37 PRO CB C 37 29.470 29.470 32.880 -3.410 18364 3079 1 6 . 1 1 38 38 ALA N N 38 127.841 127.841 123.903 3.938 18364 3080 1 6 . 1 1 38 38 ALA HA H 38 4.127 4.127 4.578 -0.451 18364 3081 1 6 . 1 1 38 38 ALA CA C 38 48.117 48.117 50.618 -2.501 18364 3082 1 6 . 1 1 38 38 ALA CB C 38 16.655 16.655 19.650 -2.995 18364 3083 1 6 . 1 1 38 38 ALA H H 38 7.486 7.486 8.245 -0.759 18364 3084 1 6 . 1 1 39 39 LYS N N 39 121.148 121.148 125.736 -4.588 18364 3085 1 6 . 1 1 39 39 LYS HA H 39 4.115 4.115 4.287 -0.172 18364 3086 1 6 . 1 1 39 39 LYS CA C 39 55.674 55.674 57.347 -1.673 18364 3087 1 6 . 1 1 39 39 LYS CB C 39 31.223 31.223 32.172 -0.949 18364 3088 1 6 . 1 1 39 39 LYS H H 39 8.042 8.042 8.714 -0.672 18364 3089 1 6 . 1 1 40 40 LEU N N 40 118.817 118.817 124.520 -5.703 18364 3090 1 6 . 1 1 40 40 LEU HA H 40 5.122 5.122 4.970 0.152 18364 3091 1 6 . 1 1 40 40 LEU CA C 40 50.156 50.156 53.387 -3.231 18364 3092 1 6 . 1 1 40 40 LEU CB C 40 42.172 42.172 42.786 -0.614 18364 3093 1 6 . 1 1 40 40 LEU H H 40 7.901 7.901 8.541 -0.640 18364 3094 1 6 . 1 1 41 41 TYR N N 41 117.843 117.843 118.041 -0.198 18364 3095 1 6 . 1 1 41 41 TYR HA H 41 5.303 5.303 5.132 0.171 18364 3096 1 6 . 1 1 41 41 TYR CA C 41 53.394 53.394 56.785 -3.391 18364 3097 1 6 . 1 1 41 41 TYR CB C 41 39.419 39.419 42.352 -2.933 18364 3098 1 6 . 1 1 41 41 TYR H H 41 9.109 9.109 9.226 -0.117 18364 3099 1 6 . 1 1 42 42 ASN N N 42 117.689 117.689 118.836 -1.147 18364 3100 1 6 . 1 1 42 42 ASN HA H 42 4.984 4.984 4.984 -0.000 18364 3101 1 6 . 1 1 42 42 ASN CA C 42 48.001 48.001 51.752 -3.752 18364 3102 1 6 . 1 1 42 42 ASN CB C 42 36.514 36.514 40.136 -3.622 18364 3103 1 6 . 1 1 42 42 ASN H H 42 8.239 8.239 8.827 -0.588 18364 3104 1 6 . 1 1 43 43 ASP N N 43 116.760 116.760 119.436 -2.676 18364 3105 1 6 . 1 1 43 43 ASP HA H 43 4.170 4.170 4.533 -0.363 18364 3106 1 6 . 1 1 43 43 ASP CA C 43 53.123 53.123 55.703 -2.580 18364 3107 1 6 . 1 1 43 43 ASP CB C 43 37.355 37.355 40.342 -2.987 18364 3108 1 6 . 1 1 43 43 ASP H H 43 8.650 8.650 8.873 -0.223 18364 3109 1 6 . 1 1 44 44 LYS N N 44 118.108 118.108 117.872 0.236 18364 3110 1 6 . 1 1 44 44 LYS HA H 44 4.359 4.359 4.332 0.027 18364 3111 1 6 . 1 1 44 44 LYS CA C 44 52.676 52.676 56.011 -3.335 18364 3112 1 6 . 1 1 44 44 LYS CB C 44 30.170 30.170 32.946 -2.776 18364 3113 1 6 . 1 1 44 44 LYS H H 44 7.505 7.505 7.810 -0.305 18364 3114 1 6 . 1 1 45 45 GLY N N 45 108.163 108.163 107.940 0.223 18364 3115 1 6 . 1 1 45 45 GLY CA C 45 42.988 42.988 45.257 -2.269 18364 3116 1 6 . 1 1 45 45 GLY H H 45 8.117 8.117 8.224 -0.107 18364 3117 1 6 . 1 1 46 46 GLU N N 46 120.173 120.173 119.499 0.674 18364 3118 1 6 . 1 1 46 46 GLU HA H 46 4.345 4.345 4.705 -0.360 18364 3119 1 6 . 1 1 46 46 GLU CA C 46 52.409 52.409 54.924 -2.515 18364 3120 1 6 . 1 1 46 46 GLU CB C 46 27.408 27.408 32.361 -4.954 18364 3121 1 6 . 1 1 46 46 GLU H H 46 7.884 7.884 7.873 0.011 18364 3122 1 6 . 1 1 47 47 TYR N N 47 123.803 123.803 124.277 -0.474 18364 3123 1 6 . 1 1 47 47 TYR HA H 47 4.351 4.351 3.762 0.589 18364 3124 1 6 . 1 1 47 47 TYR CA C 47 54.317 54.317 58.715 -4.398 18364 3125 1 6 . 1 1 47 47 TYR CB C 47 35.858 35.858 38.534 -2.676 18364 3126 1 6 . 1 1 47 47 TYR H H 47 8.710 8.710 8.691 0.019 18364 3127 1 6 . 1 1 48 48 ILE N N 48 123.458 123.458 121.341 2.117 18364 3128 1 6 . 1 1 48 48 ILE HA H 48 4.173 4.173 4.231 -0.058 18364 3129 1 6 . 1 1 48 48 ILE CA C 48 58.314 58.314 60.005 -1.691 18364 3130 1 6 . 1 1 48 48 ILE CB C 48 36.129 36.129 38.550 -2.421 18364 3131 1 6 . 1 1 48 48 ILE H H 48 8.416 8.416 7.726 0.690 18364 3132 1 6 . 1 1 49 49 GLY N N 49 107.257 107.257 108.988 -1.731 18364 3133 1 6 . 1 1 49 49 GLY CA C 49 41.367 41.367 44.397 -3.030 18364 3134 1 6 . 1 1 49 49 GLY H H 49 5.472 5.472 6.076 -0.604 18364 3135 1 6 . 1 1 50 50 ASP N N 50 116.887 116.887 117.637 -0.750 18364 3136 1 6 . 1 1 50 50 ASP HA H 50 5.043 5.043 4.950 0.093 18364 3137 1 6 . 1 1 50 50 ASP CA C 50 50.588 50.588 53.873 -3.285 18364 3138 1 6 . 1 1 50 50 ASP CB C 50 37.448 37.448 41.975 -4.527 18364 3139 1 6 . 1 1 50 50 ASP H H 50 8.234 8.234 8.688 -0.454 18364 3140 1 6 . 1 1 51 51 SER N N 51 112.664 112.664 112.167 0.497 18364 3141 1 6 . 1 1 51 51 SER HA H 51 4.439 4.439 4.822 -0.383 18364 3142 1 6 . 1 1 51 51 SER CA C 51 55.489 55.489 57.808 -2.319 18364 3143 1 6 . 1 1 51 51 SER CB C 51 61.559 61.559 65.016 -3.457 18364 3144 1 6 . 1 1 51 51 SER H H 51 7.689 7.689 7.342 0.347 18364 3145 1 6 . 1 1 52 52 TYR N N 52 122.672 122.672 120.589 2.083 18364 3146 1 6 . 1 1 52 52 TYR HA H 52 4.732 4.732 4.724 0.008 18364 3147 1 6 . 1 1 52 52 TYR CA C 52 55.168 55.168 57.610 -2.442 18364 3148 1 6 . 1 1 52 52 TYR CB C 52 38.599 38.599 38.344 0.254 18364 3149 1 6 . 1 1 52 52 TYR H H 52 8.231 8.231 8.062 0.169 18364 3150 1 6 . 1 1 53 53 SER N N 53 123.803 123.803 116.438 7.365 18364 3151 1 6 . 1 1 53 53 SER HA H 53 5.429 5.429 5.421 0.008 18364 3152 1 6 . 1 1 53 53 SER CA C 53 53.508 53.508 57.351 -3.843 18364 3153 1 6 . 1 1 53 53 SER CB C 53 61.674 61.674 65.638 -3.964 18364 3154 1 6 . 1 1 53 53 SER H H 53 8.008 8.008 8.503 -0.495 18364 3155 1 6 . 1 1 54 54 ALA N N 54 125.516 125.516 126.756 -1.240 18364 3156 1 6 . 1 1 54 54 ALA HA H 54 4.289 4.289 4.671 -0.382 18364 3157 1 6 . 1 1 54 54 ALA CA C 54 49.097 49.097 51.466 -2.369 18364 3158 1 6 . 1 1 54 54 ALA CB C 54 20.259 20.259 20.798 -0.539 18364 3159 1 6 . 1 1 54 54 ALA H H 54 8.089 8.089 8.830 -0.741 18364 3160 1 6 . 1 1 55 55 GLN N N 55 118.838 118.838 125.835 -6.997 18364 3161 1 6 . 1 1 55 55 GLN HA H 55 4.975 4.975 4.617 0.358 18364 3162 1 6 . 1 1 55 55 GLN CA C 55 52.306 52.306 55.360 -3.054 18364 3163 1 6 . 1 1 55 55 GLN CB C 55 26.138 26.138 29.860 -3.722 18364 3164 1 6 . 1 1 55 55 GLN H H 55 8.100 8.100 8.548 -0.448 18364 3165 1 6 . 1 1 56 56 ILE N N 56 124.748 124.748 125.738 -0.990 18364 3166 1 6 . 1 1 56 56 ILE HA H 56 4.246 4.246 4.186 0.060 18364 3167 1 6 . 1 1 56 56 ILE CA C 56 57.529 57.529 61.038 -3.509 18364 3168 1 6 . 1 1 56 56 ILE CB C 56 34.915 34.915 36.121 -1.206 18364 3169 1 6 . 1 1 56 56 ILE H H 56 8.910 8.910 8.763 0.147 18364 3170 1 6 . 1 1 57 57 ARG N N 57 127.183 127.183 124.940 2.243 18364 3171 1 6 . 1 1 57 57 ARG HA H 57 4.777 4.777 4.669 0.108 18364 3172 1 6 . 1 1 57 57 ARG CA C 57 52.455 52.455 55.888 -3.433 18364 3173 1 6 . 1 1 57 57 ARG CB C 57 28.839 28.839 31.066 -2.227 18364 3174 1 6 . 1 1 57 57 ARG H H 57 8.979 8.979 8.751 0.228 18364 3175 1 6 . 1 1 58 58 THR N N 58 109.995 109.995 110.288 -0.293 18364 3176 1 6 . 1 1 58 58 THR HA H 58 4.529 4.529 4.661 -0.132 18364 3177 1 6 . 1 1 58 58 THR CA C 58 57.124 57.124 59.491 -2.367 18364 3178 1 6 . 1 1 58 58 THR CB C 58 68.143 68.143 72.547 -4.404 18364 3179 1 6 . 1 1 58 58 THR H H 58 7.150 7.150 7.458 -0.308 18364 3180 1 6 . 1 1 59 59 ALA N N 59 123.143 123.143 122.667 0.476 18364 3181 1 6 . 1 1 59 59 ALA HA H 59 4.167 4.167 4.189 -0.022 18364 3182 1 6 . 1 1 59 59 ALA CA C 59 52.603 52.603 54.242 -1.639 18364 3183 1 6 . 1 1 59 59 ALA CB C 59 16.910 16.910 18.787 -1.877 18364 3184 1 6 . 1 1 59 59 ALA H H 59 8.531 8.531 8.540 -0.009 18364 3185 1 6 . 1 1 60 60 THR N N 60 105.988 105.988 105.197 0.791 18364 3186 1 6 . 1 1 60 60 THR HA H 60 5.471 5.471 4.632 0.839 18364 3187 1 6 . 1 1 60 60 THR CA C 60 56.904 56.904 59.803 -2.899 18364 3188 1 6 . 1 1 60 60 THR CB C 60 69.111 69.111 71.403 -2.292 18364 3189 1 6 . 1 1 60 60 THR H H 60 7.521 7.521 7.531 -0.010 18364 3190 1 6 . 1 1 61 61 MET N N 61 124.706 124.706 118.829 5.877 18364 3191 1 6 . 1 1 61 61 MET HA H 61 4.641 4.641 4.961 -0.320 18364 3192 1 6 . 1 1 61 61 MET CA C 61 52.883 52.883 54.131 -1.248 18364 3193 1 6 . 1 1 61 61 MET CB C 61 32.345 32.345 37.895 -5.550 18364 3194 1 6 . 1 1 61 61 MET H H 61 8.758 8.758 9.122 -0.364 18364 3195 1 6 . 1 1 62 62 SER N N 62 117.004 117.004 114.523 2.481 18364 3196 1 6 . 1 1 62 62 SER HA H 62 5.551 5.551 5.147 0.404 18364 3197 1 6 . 1 1 62 62 SER CA C 62 54.255 54.255 57.691 -3.436 18364 3198 1 6 . 1 1 62 62 SER CB C 62 64.130 64.130 65.980 -1.850 18364 3199 1 6 . 1 1 62 62 SER H H 62 8.164 8.164 8.546 -0.382 18364 3200 1 6 . 1 1 63 63 CYS N N 63 120.270 120.270 119.357 0.913 18364 3201 1 6 . 1 1 63 63 CYS HA H 63 5.075 5.075 5.127 -0.052 18364 3202 1 6 . 1 1 63 63 CYS CA C 63 54.676 54.676 57.807 -3.131 18364 3203 1 6 . 1 1 63 63 CYS CB C 63 28.679 28.679 32.418 -3.739 18364 3204 1 6 . 1 1 63 63 CYS H H 63 8.537 8.537 8.883 -0.346 18364 3205 1 6 . 1 1 64 64 CYS N N 64 120.868 120.868 118.275 2.593 18364 3206 1 6 . 1 1 64 64 CYS HA H 64 5.918 5.918 5.400 0.518 18364 3207 1 6 . 1 1 64 64 CYS CA C 64 53.204 53.204 56.553 -3.349 18364 3208 1 6 . 1 1 64 64 CYS CB C 64 30.216 30.216 31.941 -1.725 18364 3209 1 6 . 1 1 64 64 CYS H H 64 9.307 9.307 8.773 0.534 18364 3210 1 6 . 1 1 65 65 THR N N 65 109.830 109.830 114.079 -4.249 18364 3211 1 6 . 1 1 65 65 THR HA H 65 5.426 5.426 5.211 0.215 18364 3212 1 6 . 1 1 65 65 THR CA C 65 58.465 58.465 60.043 -1.578 18364 3213 1 6 . 1 1 65 65 THR CB C 65 69.665 69.665 71.223 -1.558 18364 3214 1 6 . 1 1 65 65 THR H H 65 8.447 8.447 8.202 0.245 18364 3215 1 6 . 1 1 66 66 ASN N N 66 114.459 114.459 117.450 -2.991 18364 3216 1 6 . 1 1 66 66 ASN HA H 66 4.656 4.656 4.661 -0.005 18364 3217 1 6 . 1 1 66 66 ASN CA C 66 49.879 49.879 52.466 -2.587 18364 3218 1 6 . 1 1 66 66 ASN CB C 66 36.267 36.267 39.481 -3.214 18364 3219 1 6 . 1 1 66 66 ASN H H 66 9.300 9.300 8.056 1.244 18364 3220 1 6 . 1 1 67 67 GLY N N 67 103.647 103.647 105.876 -2.229 18364 3221 1 6 . 1 1 67 67 GLY CA C 67 43.796 43.796 45.016 -1.220 18364 3222 1 6 . 1 1 67 67 GLY H H 67 8.237 8.237 8.577 -0.340 18364 3223 1 6 . 1 1 69 69 ALA N N 69 121.911 121.911 121.881 0.030 18364 3224 1 6 . 1 1 69 69 ALA HA H 69 4.244 4.244 4.943 -0.699 18364 3225 1 6 . 1 1 69 69 ALA CA C 69 49.758 49.758 51.606 -1.848 18364 3226 1 6 . 1 1 69 69 ALA CB C 69 17.376 17.376 22.145 -4.769 18364 3227 1 6 . 1 1 69 69 ALA H H 69 7.677 7.677 7.694 -0.017 18364 3228 1 6 . 1 1 70 70 PHE N N 70 114.118 114.118 117.217 -3.099 18364 3229 1 6 . 1 1 70 70 PHE HA H 70 4.965 4.965 5.188 -0.223 18364 3230 1 6 . 1 1 70 70 PHE CA C 70 53.129 53.129 57.821 -4.692 18364 3231 1 6 . 1 1 70 70 PHE CB C 70 37.917 37.917 42.611 -4.694 18364 3232 1 6 . 1 1 70 70 PHE H H 70 8.549 8.549 8.929 -0.380 18364 3233 1 6 . 1 1 71 71 PHE N N 71 110.252 110.252 114.707 -4.455 18364 3234 1 6 . 1 1 71 71 PHE HA H 71 4.247 4.247 4.551 -0.304 18364 3235 1 6 . 1 1 71 71 PHE CA C 71 54.475 54.475 56.078 -1.603 18364 3236 1 6 . 1 1 71 71 PHE CB C 71 38.123 38.123 41.314 -3.191 18364 3237 1 6 . 1 1 71 71 PHE H H 71 6.617 6.617 7.339 -0.722 18364 3238 1 6 . 1 1 72 72 MET N N 72 118.637 118.637 118.595 0.042 18364 3239 1 6 . 1 1 72 72 MET HA H 72 4.800 4.800 4.972 -0.172 18364 3240 1 6 . 1 1 72 72 MET CA C 72 53.108 53.108 55.009 -1.901 18364 3241 1 6 . 1 1 72 72 MET CB C 72 35.826 35.826 36.625 -0.799 18364 3242 1 6 . 1 1 72 72 MET H H 72 8.162 8.162 8.325 -0.163 18364 3243 1 6 . 1 1 73 73 THR N N 73 117.278 117.278 118.088 -0.810 18364 3244 1 6 . 1 1 73 73 THR HA H 73 5.018 5.018 5.410 -0.392 18364 3245 1 6 . 1 1 73 73 THR CA C 73 58.316 58.316 60.375 -2.059 18364 3246 1 6 . 1 1 73 73 THR CB C 73 69.118 69.118 71.775 -2.657 18364 3247 1 6 . 1 1 73 73 THR H H 73 9.220 9.220 8.908 0.312 18364 3248 1 6 . 1 1 74 74 CYS N N 74 124.101 124.101 123.763 0.338 18364 3249 1 6 . 1 1 74 74 CYS HA H 74 5.076 5.076 5.454 -0.378 18364 3250 1 6 . 1 1 74 74 CYS CA C 74 54.219 54.219 57.769 -3.550 18364 3251 1 6 . 1 1 74 74 CYS CB C 74 27.012 27.012 29.538 -2.526 18364 3252 1 6 . 1 1 74 74 CYS H H 74 8.958 8.958 8.298 0.660 18364 3253 1 6 . 1 1 75 75 ALA N N 75 132.901 132.901 129.381 3.520 18364 3254 1 6 . 1 1 75 75 ALA HA H 75 4.975 4.975 5.296 -0.321 18364 3255 1 6 . 1 1 75 75 ALA CA C 75 47.826 47.826 50.488 -2.662 18364 3256 1 6 . 1 1 75 75 ALA CB C 75 18.111 18.111 22.852 -4.741 18364 3257 1 6 . 1 1 75 75 ALA H H 75 8.834 8.834 8.190 0.644 18364 3258 1 6 . 1 1 76 76 GLY N N 76 110.691 110.691 108.859 1.832 18364 3259 1 6 . 1 1 76 76 GLY CA C 76 41.784 41.784 44.969 -3.185 18364 3260 1 6 . 1 1 76 76 GLY H H 76 8.265 8.265 7.605 0.660 18364 3261 1 6 . 1 1 77 77 SER N N 77 115.145 115.145 113.958 1.187 18364 3262 1 6 . 1 1 77 77 SER HA H 77 4.980 4.980 4.690 0.290 18364 3263 1 6 . 1 1 77 77 SER CA C 77 54.022 54.022 57.356 -3.334 18364 3264 1 6 . 1 1 77 77 SER CB C 77 62.987 62.987 67.116 -4.129 18364 3265 1 6 . 1 1 77 77 SER H H 77 8.723 8.723 8.384 0.339 18364 3266 1 6 . 1 1 78 78 VAL N N 78 124.775 124.775 119.130 5.645 18364 3267 1 6 . 1 1 78 78 VAL HA H 78 4.634 4.634 5.272 -0.638 18364 3268 1 6 . 1 1 78 78 VAL CA C 78 58.437 58.437 59.856 -1.419 18364 3269 1 6 . 1 1 78 78 VAL CB C 78 32.177 32.177 34.718 -2.541 18364 3270 1 6 . 1 1 78 78 VAL H H 78 8.963 8.963 8.916 0.047 18364 3271 1 6 . 1 1 79 79 SER N N 79 118.951 118.951 121.405 -2.454 18364 3272 1 6 . 1 1 79 79 SER HA H 79 5.619 5.619 5.407 0.212 18364 3273 1 6 . 1 1 79 79 SER CA C 79 53.011 53.011 57.136 -4.125 18364 3274 1 6 . 1 1 79 79 SER CB C 79 64.197 64.197 67.130 -2.933 18364 3275 1 6 . 1 1 79 79 SER H H 79 8.661 8.661 8.599 0.062 18364 3276 1 6 . 1 1 80 80 SER N N 80 114.750 114.750 115.127 -0.377 18364 3277 1 6 . 1 1 80 80 SER HA H 80 4.439 4.439 4.717 -0.278 18364 3278 1 6 . 1 1 80 80 SER CA C 80 56.198 56.198 56.315 -0.117 18364 3279 1 6 . 1 1 80 80 SER CB C 80 63.490 63.490 64.361 -0.871 18364 3280 1 6 . 1 1 80 80 SER H H 80 8.563 8.563 8.823 -0.260 18364 3281 1 6 . 1 1 81 81 ILE N N 81 120.003 120.003 119.019 0.984 18364 3282 1 6 . 1 1 81 81 ILE HA H 81 4.576 4.576 4.567 0.009 18364 3283 1 6 . 1 1 81 81 ILE CA C 81 57.951 57.951 59.949 -1.998 18364 3284 1 6 . 1 1 81 81 ILE CB C 81 36.011 36.011 36.088 -0.077 18364 3285 1 6 . 1 1 81 81 ILE H H 81 8.366 8.366 8.686 -0.320 18364 3286 1 6 . 1 1 82 82 SER N N 82 119.139 119.139 117.883 1.256 18364 3287 1 6 . 1 1 82 82 SER HA H 82 4.158 4.158 4.662 -0.504 18364 3288 1 6 . 1 1 82 82 SER CA C 82 56.910 56.910 56.718 0.192 18364 3289 1 6 . 1 1 82 82 SER CB C 82 62.055 62.055 65.344 -3.289 18364 3290 1 6 . 1 1 82 82 SER H H 82 8.204 8.204 7.674 0.530 18364 3291 1 6 . 1 1 83 83 GLU N N 83 118.350 118.350 120.046 -1.696 18364 3292 1 6 . 1 1 83 83 GLU HA H 83 4.133 4.133 4.210 -0.077 18364 3293 1 6 . 1 1 83 83 GLU CA C 83 53.267 53.267 56.392 -3.126 18364 3294 1 6 . 1 1 83 83 GLU CB C 83 27.763 27.763 30.076 -2.313 18364 3295 1 6 . 1 1 83 83 GLU H H 83 8.381 8.381 8.392 -0.011 18364 3296 1 6 . 1 1 84 84 ALA N N 84 121.665 121.665 122.622 -0.957 18364 3297 1 6 . 1 1 84 84 ALA HA H 84 3.542 3.542 4.080 -0.538 18364 3298 1 6 . 1 1 84 84 ALA CA C 84 50.621 50.621 53.422 -2.800 18364 3299 1 6 . 1 1 84 84 ALA CB C 84 16.540 16.540 19.137 -2.597 18364 3300 1 6 . 1 1 84 84 ALA H H 84 8.482 8.482 8.270 0.212 18364 3301 1 6 . 1 1 85 85 GLY N N 85 108.356 108.356 106.077 2.279 18364 3302 1 6 . 1 1 85 85 GLY CA C 85 42.955 42.955 45.576 -2.621 18364 3303 1 6 . 1 1 85 85 GLY H H 85 8.078 8.078 8.225 -0.147 18364 3304 1 6 . 1 1 86 86 LYS N N 86 121.491 121.491 122.702 -1.211 18364 3305 1 6 . 1 1 86 86 LYS HA H 86 4.638 4.638 4.372 0.266 18364 3306 1 6 . 1 1 86 86 LYS CA C 86 51.073 51.073 56.374 -5.301 18364 3307 1 6 . 1 1 86 86 LYS CB C 86 29.750 29.750 32.778 -3.028 18364 3308 1 6 . 1 1 86 86 LYS H H 86 8.225 8.225 8.124 0.101 18364 3309 1 6 . 1 1 87 87 ARG N N 87 121.874 121.874 121.444 0.430 18364 3310 1 6 . 1 1 87 87 ARG HA H 87 5.673 5.673 5.141 0.532 18364 3311 1 6 . 1 1 87 87 ARG CA C 87 52.139 52.139 55.120 -2.981 18364 3312 1 6 . 1 1 87 87 ARG CB C 87 32.163 32.163 33.655 -1.492 18364 3313 1 6 . 1 1 87 87 ARG H H 87 9.979 9.979 8.595 1.384 18364 3314 1 6 . 1 1 88 88 LEU N N 88 125.264 125.264 119.970 5.294 18364 3315 1 6 . 1 1 88 88 LEU HA H 88 4.562 4.562 4.974 -0.412 18364 3316 1 6 . 1 1 88 88 LEU CA C 88 50.284 50.284 54.307 -4.024 18364 3317 1 6 . 1 1 88 88 LEU CB C 88 42.309 42.309 46.130 -3.821 18364 3318 1 6 . 1 1 88 88 LEU H H 88 8.756 8.756 8.742 0.014 18364 3319 1 6 . 1 1 89 89 HIS N N 89 125.453 125.453 125.067 0.386 18364 3320 1 6 . 1 1 89 89 HIS HA H 89 5.188 5.188 5.151 0.037 18364 3321 1 6 . 1 1 89 89 HIS CA C 89 51.389 51.389 54.879 -3.490 18364 3322 1 6 . 1 1 89 89 HIS CB C 89 27.731 27.731 31.872 -4.141 18364 3323 1 6 . 1 1 89 89 HIS H H 89 8.910 8.910 8.455 0.455 18364 3324 1 6 . 1 1 90 90 ILE N N 90 126.486 126.486 127.236 -0.750 18364 3325 1 6 . 1 1 90 90 ILE HA H 90 5.020 5.020 4.411 0.609 18364 3326 1 6 . 1 1 90 90 ILE CA C 90 55.642 55.642 59.927 -4.285 18364 3327 1 6 . 1 1 90 90 ILE CB C 90 38.696 38.696 37.948 0.748 18364 3328 1 6 . 1 1 90 90 ILE H H 90 8.689 8.689 8.835 -0.146 18364 3329 1 6 . 1 1 91 91 THR N N 91 123.200 123.200 122.795 0.405 18364 3330 1 6 . 1 1 91 91 THR HA H 91 5.017 5.017 4.681 0.336 18364 3331 1 6 . 1 1 91 91 THR CA C 91 58.555 58.555 61.899 -3.344 18364 3332 1 6 . 1 1 91 91 THR CB C 91 68.702 68.702 70.484 -1.782 18364 3333 1 6 . 1 1 91 91 THR H H 91 8.636 8.636 8.727 -0.091 18364 3334 1 6 . 1 1 92 92 VAL N N 92 127.071 127.071 122.177 4.894 18364 3335 1 6 . 1 1 92 92 VAL HA H 92 5.018 5.018 5.073 -0.055 18364 3336 1 6 . 1 1 92 92 VAL CA C 92 57.969 57.969 60.569 -2.600 18364 3337 1 6 . 1 1 92 92 VAL CB C 92 31.323 31.323 33.568 -2.245 18364 3338 1 6 . 1 1 92 92 VAL H H 92 9.162 9.162 9.099 0.063 18364 3339 1 6 . 1 1 93 93 ILE N N 93 127.095 127.095 124.532 2.563 18364 3340 1 6 . 1 1 93 93 ILE HA H 93 4.461 4.461 4.850 -0.389 18364 3341 1 6 . 1 1 93 93 ILE CA C 93 57.972 57.972 59.081 -1.109 18364 3342 1 6 . 1 1 93 93 ILE CB C 93 38.929 38.929 41.879 -2.950 18364 3343 1 6 . 1 1 93 93 ILE H H 93 9.313 9.313 9.071 0.242 18364 3344 1 6 . 1 1 94 94 GLY N N 94 111.893 111.893 109.402 2.491 18364 3345 1 6 . 1 1 94 94 GLY CA C 94 41.781 41.781 44.252 -2.471 18364 3346 1 6 . 1 1 94 94 GLY H H 94 8.577 8.577 8.254 0.323 18364 3347 1 6 . 1 1 95 95 TYR N N 95 123.099 123.099 118.128 4.971 18364 3348 1 6 . 1 1 95 95 TYR HA H 95 5.399 5.399 5.433 -0.034 18364 3349 1 6 . 1 1 95 95 TYR CA C 95 54.052 54.052 56.849 -2.797 18364 3350 1 6 . 1 1 95 95 TYR CB C 95 41.285 41.285 43.864 -2.579 18364 3351 1 6 . 1 1 95 95 TYR H H 95 9.640 9.640 9.206 0.434 18364 3352 1 6 . 1 1 96 96 ILE N N 96 116.705 116.705 121.307 -4.602 18364 3353 1 6 . 1 1 96 96 ILE HA H 96 4.208 4.208 4.047 0.161 18364 3354 1 6 . 1 1 96 96 ILE CA C 96 58.977 58.977 60.941 -1.964 18364 3355 1 6 . 1 1 96 96 ILE CB C 96 37.245 37.245 39.879 -2.634 18364 3356 1 6 . 1 1 96 96 ILE H H 96 8.270 8.270 8.773 -0.503 18364 3357 1 6 . 1 1 97 97 ASP N N 97 130.442 130.442 128.953 1.489 18364 3358 1 6 . 1 1 97 97 ASP HA H 97 4.165 4.165 4.294 -0.129 18364 3359 1 6 . 1 1 97 97 ASP CA C 97 53.736 53.736 57.368 -3.632 18364 3360 1 6 . 1 1 97 97 ASP CB C 97 36.870 36.870 40.155 -3.285 18364 3361 1 6 . 1 1 97 97 ASP H H 97 9.849 9.849 8.939 0.910 18364 3362 1 6 . 1 1 98 98 ASP N N 98 114.957 114.957 121.214 -6.257 18364 3363 1 6 . 1 1 98 98 ASP HA H 98 4.694 4.694 4.730 -0.036 18364 3364 1 6 . 1 1 98 98 ASP CB C 98 36.266 36.266 42.421 -6.155 18364 3365 1 6 . 1 1 98 98 ASP H H 98 8.355 8.355 8.190 0.165 18364 3366 1 6 . 1 1 99 99 LYS N N 99 121.680 121.680 120.563 1.117 18364 3367 1 6 . 1 1 99 99 LYS HA H 99 4.590 4.590 4.680 -0.090 18364 3368 1 6 . 1 1 99 99 LYS CA C 99 52.354 52.354 55.199 -2.845 18364 3369 1 6 . 1 1 99 99 LYS CB C 99 30.958 30.958 35.289 -4.331 18364 3370 1 6 . 1 1 99 99 LYS H H 99 8.049 8.049 7.895 0.154 18364 3371 1 6 . 1 1 100 100 GLU N N 100 127.574 127.574 127.278 0.296 18364 3372 1 6 . 1 1 100 100 GLU HA H 100 3.804 3.804 3.861 -0.057 18364 3373 1 6 . 1 1 100 100 GLU CA C 100 54.562 54.562 57.895 -3.333 18364 3374 1 6 . 1 1 100 100 GLU CB C 100 26.808 26.808 29.590 -2.782 18364 3375 1 6 . 1 1 100 100 GLU H H 100 8.839 8.839 8.961 -0.122 18364 3376 1 6 . 1 1 101 101 VAL N N 101 120.606 120.606 125.887 -5.281 18364 3377 1 6 . 1 1 101 101 VAL HA H 101 4.534 4.534 4.155 0.379 18364 3378 1 6 . 1 1 101 101 VAL CA C 101 58.379 58.379 62.012 -3.633 18364 3379 1 6 . 1 1 101 101 VAL CB C 101 31.223 31.223 33.965 -2.742 18364 3380 1 6 . 1 1 101 101 VAL H H 101 8.997 8.997 8.433 0.564 18364 3381 1 6 . 1 1 102 102 ASN N N 102 118.568 118.568 118.146 0.422 18364 3382 1 6 . 1 1 102 102 ASN HA H 102 4.782 4.782 4.934 -0.152 18364 3383 1 6 . 1 1 102 102 ASN CA C 102 50.154 50.154 52.974 -2.820 18364 3384 1 6 . 1 1 102 102 ASN CB C 102 38.848 38.848 42.371 -3.523 18364 3385 1 6 . 1 1 102 102 ASN H H 102 7.598 7.598 7.704 -0.106 18364 3386 1 6 . 1 1 103 103 ARG N N 103 120.366 120.366 119.069 1.297 18364 3387 1 6 . 1 1 103 103 ARG HA H 103 5.051 5.051 5.057 -0.006 18364 3388 1 6 . 1 1 103 103 ARG CA C 103 52.900 52.900 55.598 -2.698 18364 3389 1 6 . 1 1 103 103 ARG CB C 103 31.710 31.710 31.447 0.263 18364 3390 1 6 . 1 1 103 103 ARG H H 103 8.155 8.155 8.473 -0.318 18364 3391 1 6 . 1 1 104 104 LEU N N 104 128.859 128.859 120.238 8.621 18364 3392 1 6 . 1 1 104 104 LEU HA H 104 4.553 4.553 5.035 -0.482 18364 3393 1 6 . 1 1 104 104 LEU CA C 104 51.272 51.272 53.463 -2.191 18364 3394 1 6 . 1 1 104 104 LEU CB C 104 43.549 43.549 45.657 -2.108 18364 3395 1 6 . 1 1 104 104 LEU H H 104 9.271 9.271 8.873 0.398 18364 3396 1 6 . 1 1 105 105 GLU N N 105 125.663 125.663 118.528 7.135 18364 3397 1 6 . 1 1 105 105 GLU HA H 105 5.179 5.179 4.987 0.192 18364 3398 1 6 . 1 1 105 105 GLU CA C 105 51.966 51.966 54.969 -3.003 18364 3399 1 6 . 1 1 105 105 GLU CB C 105 29.358 29.358 32.818 -3.460 18364 3400 1 6 . 1 1 105 105 GLU H H 105 8.346 8.346 8.413 -0.067 18364 3401 1 6 . 1 1 106 106 LYS N N 106 123.659 123.659 119.450 4.209 18364 3402 1 6 . 1 1 106 106 LYS HA H 106 4.281 4.281 4.353 -0.072 18364 3403 1 6 . 1 1 106 106 LYS CA C 106 51.118 51.118 54.458 -3.340 18364 3404 1 6 . 1 1 106 106 LYS CB C 106 34.761 34.761 36.535 -1.774 18364 3405 1 6 . 1 1 106 106 LYS H H 106 8.526 8.526 8.556 -0.030 18364 3406 1 6 . 1 1 107 107 GLU N N 107 121.917 121.917 123.050 -1.133 18364 3407 1 6 . 1 1 107 107 GLU HA H 107 4.949 4.949 4.951 -0.002 18364 3408 1 6 . 1 1 107 107 GLU CA C 107 51.404 51.404 54.105 -2.701 18364 3409 1 6 . 1 1 107 107 GLU CB C 107 29.906 29.906 31.517 -1.611 18364 3410 1 6 . 1 1 107 107 GLU H H 107 7.773 7.773 8.095 -0.322 18364 3411 1 6 . 1 1 108 108 TYR N N 108 124.981 124.981 123.534 1.447 18364 3412 1 6 . 1 1 108 108 TYR HA H 108 4.720 4.720 4.806 -0.086 18364 3413 1 6 . 1 1 108 108 TYR CA C 108 54.188 54.188 56.628 -2.440 18364 3414 1 6 . 1 1 108 108 TYR CB C 108 39.101 39.101 42.836 -3.735 18364 3415 1 6 . 1 1 108 108 TYR H H 108 9.031 9.031 8.499 0.532 18364 3416 1 6 . 1 1 109 109 ILE N N 109 121.680 121.680 119.408 2.272 18364 3417 1 6 . 1 1 109 109 ILE HA H 109 5.471 5.471 4.977 0.494 18364 3418 1 6 . 1 1 109 109 ILE CA C 109 56.592 56.592 60.163 -3.571 18364 3419 1 6 . 1 1 109 109 ILE CB C 109 38.728 38.728 42.319 -3.591 18364 3420 1 6 . 1 1 109 109 ILE H H 109 8.475 8.475 8.454 0.021 18364 3421 1 6 . 1 1 110 110 THR N N 110 117.537 117.537 115.665 1.872 18364 3422 1 6 . 1 1 110 110 THR HA H 110 4.521 4.521 4.359 0.162 18364 3423 1 6 . 1 1 110 110 THR CA C 110 59.337 59.337 62.475 -3.138 18364 3424 1 6 . 1 1 110 110 THR CB C 110 67.143 67.143 69.998 -2.855 18364 3425 1 6 . 1 1 110 110 THR H H 110 9.180 9.180 8.784 0.396 18364 3426 1 6 . 1 1 111 111 ASP N N 111 122.428 122.428 124.624 -2.196 18364 3427 1 6 . 1 1 111 111 ASP HA H 111 4.721 4.721 4.757 -0.036 18364 3428 1 6 . 1 1 111 111 ASP CA C 111 50.135 50.135 53.510 -3.375 18364 3429 1 6 . 1 1 111 111 ASP CB C 111 39.613 39.613 41.248 -1.635 18364 3430 1 6 . 1 1 111 111 ASP H H 111 9.342 9.342 8.985 0.357 18364 3431 1 6 . 1 1 112 112 GLY N N 112 110.714 110.714 107.971 2.743 18364 3432 1 6 . 1 1 112 112 GLY CA C 112 43.084 43.084 45.038 -1.954 18364 3433 1 6 . 1 1 112 112 GLY H H 112 8.333 8.333 8.707 -0.374 18364 3434 1 6 . 1 1 113 113 ASN N N 113 119.462 119.462 118.803 0.659 18364 3435 1 6 . 1 1 113 113 ASN HA H 113 4.926 4.926 4.788 0.138 18364 3436 1 6 . 1 1 113 113 ASN CA C 113 49.373 49.373 53.422 -4.049 18364 3437 1 6 . 1 1 113 113 ASN CB C 113 37.377 37.377 38.748 -1.371 18364 3438 1 6 . 1 1 113 113 ASN H H 113 8.210 8.210 8.127 0.083 18364 3439 1 6 . 1 1 114 114 THR N N 114 117.962 117.962 115.641 2.321 18364 3440 1 6 . 1 1 114 114 THR HA H 114 4.136 4.136 4.197 -0.061 18364 3441 1 6 . 1 1 114 114 THR CA C 114 62.066 62.066 62.596 -0.530 18364 3442 1 6 . 1 1 114 114 THR CB C 114 66.489 66.489 69.316 -2.827 18364 3443 1 6 . 1 1 114 114 THR H H 114 8.436 8.436 8.262 0.174 18364 3444 1 6 . 1 1 115 115 LEU N N 115 132.998 132.998 129.927 3.071 18364 3445 1 6 . 1 1 115 115 LEU HA H 115 4.607 4.607 4.555 0.052 18364 3446 1 6 . 1 1 115 115 LEU CA C 115 52.335 52.335 53.785 -1.450 18364 3447 1 6 . 1 1 115 115 LEU CB C 115 41.546 41.546 41.298 0.248 18364 3448 1 6 . 1 1 115 115 LEU H H 115 8.789 8.789 8.172 0.617 18364 3449 1 6 . 1 1 116 116 ILE N N 116 126.586 126.586 126.139 0.447 18364 3450 1 6 . 1 1 116 116 ILE HA H 116 4.784 4.784 4.965 -0.181 18364 3451 1 6 . 1 1 116 116 ILE CA C 116 58.270 58.270 60.303 -2.033 18364 3452 1 6 . 1 1 116 116 ILE CB C 116 37.909 37.909 42.329 -4.420 18364 3453 1 6 . 1 1 116 116 ILE H H 116 8.637 8.637 8.343 0.294 18364 3454 1 6 . 1 1 117 117 GLU N N 117 127.084 127.084 123.244 3.840 18364 3455 1 6 . 1 1 117 117 GLU HA H 117 4.830 4.830 4.819 0.011 18364 3456 1 6 . 1 1 117 117 GLU CA C 117 51.847 51.847 54.872 -3.025 18364 3457 1 6 . 1 1 117 117 GLU CB C 117 32.299 32.299 34.529 -2.229 18364 3458 1 6 . 1 1 117 117 GLU H H 117 8.933 8.933 8.959 -0.026 18364 3459 1 6 . 1 1 118 118 THR N N 118 110.826 110.826 111.837 -1.011 18364 3460 1 6 . 1 1 118 118 THR HA H 118 5.190 5.190 4.489 0.701 18364 3461 1 6 . 1 1 118 118 THR CA C 118 57.036 57.036 60.471 -3.435 18364 3462 1 6 . 1 1 118 118 THR CB C 118 69.888 69.888 70.567 -0.679 18364 3463 1 6 . 1 1 118 118 THR H H 118 8.664 8.664 8.467 0.197 18364 3464 1 6 . 1 1 119 119 PHE N N 119 115.915 115.915 114.645 1.270 18364 3465 1 6 . 1 1 119 119 PHE HA H 119 4.999 4.999 4.880 0.119 18364 3466 1 6 . 1 1 119 119 PHE CA C 119 53.804 53.804 57.699 -3.895 18364 3467 1 6 . 1 1 119 119 PHE CB C 119 39.787 39.787 40.879 -1.092 18364 3468 1 6 . 1 1 119 119 PHE H H 119 8.087 8.087 7.758 0.329 18364 3469 1 6 . 1 1 120 120 SER N N 120 114.953 114.953 115.878 -0.925 18364 3470 1 6 . 1 1 120 120 SER HA H 120 5.383 5.383 5.384 -0.001 18364 3471 1 6 . 1 1 120 120 SER CA C 120 55.192 55.192 57.563 -2.371 18364 3472 1 6 . 1 1 120 120 SER CB C 120 62.113 62.113 66.756 -4.643 18364 3473 1 6 . 1 1 120 120 SER H H 120 8.627 8.627 8.439 0.188 18364 3474 1 6 . 1 1 121 121 VAL N N 121 124.122 124.122 121.918 2.204 18364 3475 1 6 . 1 1 121 121 VAL HA H 121 4.349 4.349 4.510 -0.161 18364 3476 1 6 . 1 1 121 121 VAL CA C 121 59.005 59.005 61.794 -2.789 18364 3477 1 6 . 1 1 121 121 VAL CB C 121 34.127 34.127 32.940 1.187 18364 3478 1 6 . 1 1 121 121 VAL H H 121 8.866 8.866 8.915 -0.049 18364 3479 1 6 . 1 1 122 122 SER N N 122 119.703 119.703 121.095 -1.392 18364 3480 1 6 . 1 1 122 122 SER HA H 122 5.598 5.598 4.834 0.764 18364 3481 1 6 . 1 1 122 122 SER CA C 122 53.065 53.065 58.256 -5.191 18364 3482 1 6 . 1 1 122 122 SER CB C 122 63.442 63.442 64.208 -0.766 18364 3483 1 6 . 1 1 122 122 SER H H 122 8.334 8.334 8.463 -0.129 18364 3484 1 6 . 1 1 123 123 THR N N 123 113.276 113.276 114.648 -1.372 18364 3485 1 6 . 1 1 123 123 THR HA H 123 4.093 4.093 4.238 -0.145 18364 3486 1 6 . 1 1 123 123 THR CA C 123 60.143 60.143 62.371 -2.228 18364 3487 1 6 . 1 1 123 123 THR CB C 123 64.437 64.437 69.442 -5.005 18364 3488 1 6 . 1 1 123 123 THR H H 123 8.898 8.898 9.000 -0.102 18364 3489 1 6 . 1 1 124 124 LYS N N 124 119.191 119.191 120.625 -1.434 18364 3490 1 6 . 1 1 124 124 LYS HA H 124 4.324 4.324 4.496 -0.172 18364 3491 1 6 . 1 1 124 124 LYS CA C 124 53.486 53.486 55.346 -1.860 18364 3492 1 6 . 1 1 124 124 LYS CB C 124 32.376 32.376 34.989 -2.613 18364 3493 1 6 . 1 1 124 124 LYS H H 124 7.569 7.569 7.640 -0.071 18364 3494 1 6 . 1 1 125 125 GLU N N 125 124.243 124.243 124.729 -0.486 18364 3495 1 6 . 1 1 125 125 GLU HA H 125 4.255 4.255 4.412 -0.157 18364 3496 1 6 . 1 1 125 125 GLU CA C 125 53.830 53.830 56.621 -2.791 18364 3497 1 6 . 1 1 125 125 GLU CB C 125 27.674 27.674 30.422 -2.748 18364 3498 1 6 . 1 1 125 125 GLU H H 125 8.359 8.359 8.615 -0.256 18364 3499 1 7 . 1 1 2 2 ALA CA C 2 50.698 50.698 52.830 -2.132 18364 3500 1 7 . 1 1 2 2 ALA CB C 2 16.688 16.688 20.695 -4.007 18364 3501 1 7 . 1 1 3 3 SER N N 3 113.663 113.663 114.717 -1.054 18364 3502 1 7 . 1 1 3 3 SER HA H 3 4.296 4.296 4.370 -0.074 18364 3503 1 7 . 1 1 3 3 SER CA C 3 55.573 55.573 58.883 -3.310 18364 3504 1 7 . 1 1 3 3 SER CB C 3 60.888 60.888 63.639 -2.751 18364 3505 1 7 . 1 1 3 3 SER H H 3 8.301 8.301 8.462 -0.161 18364 3506 1 7 . 1 1 4 4 ASP N N 4 121.532 121.532 121.493 0.039 18364 3507 1 7 . 1 1 4 4 ASP HA H 4 4.394 4.394 4.595 -0.201 18364 3508 1 7 . 1 1 4 4 ASP CA C 4 51.748 51.748 53.445 -1.697 18364 3509 1 7 . 1 1 4 4 ASP CB C 4 38.614 38.614 41.048 -2.434 18364 3510 1 7 . 1 1 4 4 ASP H H 4 7.874 7.874 7.704 0.170 18364 3511 1 7 . 1 1 5 5 PHE N N 5 119.126 119.126 124.399 -5.273 18364 3512 1 7 . 1 1 5 5 PHE HA H 5 4.535 4.535 4.928 -0.393 18364 3513 1 7 . 1 1 5 5 PHE CA C 5 54.589 54.589 57.665 -3.076 18364 3514 1 7 . 1 1 5 5 PHE CB C 5 37.079 37.079 40.072 -2.993 18364 3515 1 7 . 1 1 5 5 PHE H H 5 7.832 7.832 8.539 -0.707 18364 3516 1 7 . 1 1 6 6 GLN N N 6 122.092 122.092 124.278 -2.186 18364 3517 1 7 . 1 1 6 6 GLN HA H 6 4.417 4.417 4.705 -0.288 18364 3518 1 7 . 1 1 6 6 GLN CA C 6 53.128 53.128 55.508 -2.380 18364 3519 1 7 . 1 1 6 6 GLN CB C 6 27.477 27.477 31.097 -3.620 18364 3520 1 7 . 1 1 6 6 GLN H H 6 8.447 8.447 8.617 -0.170 18364 3521 1 7 . 1 1 7 7 THR N N 7 114.717 114.717 114.661 0.056 18364 3522 1 7 . 1 1 7 7 THR HA H 7 5.035 5.035 4.540 0.495 18364 3523 1 7 . 1 1 7 7 THR CA C 7 57.906 57.906 61.517 -3.611 18364 3524 1 7 . 1 1 7 7 THR CB C 7 68.370 68.370 70.034 -1.664 18364 3525 1 7 . 1 1 7 7 THR H H 7 8.145 8.145 7.881 0.264 18364 3526 1 7 . 1 1 8 8 GLY N N 8 111.628 111.628 108.935 2.693 18364 3527 1 7 . 1 1 8 8 GLY CA C 8 43.774 43.774 45.980 -2.206 18364 3528 1 7 . 1 1 8 8 GLY H H 8 9.234 9.234 8.272 0.962 18364 3529 1 7 . 1 1 9 9 ILE N N 9 119.585 119.585 120.055 -0.470 18364 3530 1 7 . 1 1 9 9 ILE HA H 9 3.934 3.934 4.615 -0.681 18364 3531 1 7 . 1 1 9 9 ILE CA C 9 58.907 58.907 60.379 -1.472 18364 3532 1 7 . 1 1 9 9 ILE CB C 9 35.738 35.738 41.602 -5.864 18364 3533 1 7 . 1 1 9 9 ILE H H 9 8.603 8.603 7.836 0.767 18364 3534 1 7 . 1 1 10 10 HIS N N 10 133.616 133.616 124.759 8.857 18364 3535 1 7 . 1 1 10 10 HIS HA H 10 5.185 5.185 5.390 -0.205 18364 3536 1 7 . 1 1 10 10 HIS CA C 10 53.587 53.587 54.782 -1.195 18364 3537 1 7 . 1 1 10 10 HIS CB C 10 30.817 30.817 33.101 -2.284 18364 3538 1 7 . 1 1 10 10 HIS H H 10 8.599 8.599 8.743 -0.144 18364 3539 1 7 . 1 1 11 11 LYS N N 11 122.949 122.949 121.142 1.807 18364 3540 1 7 . 1 1 11 11 LYS HA H 11 5.236 5.236 5.215 0.021 18364 3541 1 7 . 1 1 11 11 LYS CA C 11 52.748 52.748 54.979 -2.231 18364 3542 1 7 . 1 1 11 11 LYS CB C 11 35.137 35.137 36.331 -1.194 18364 3543 1 7 . 1 1 11 11 LYS H H 11 8.775 8.775 8.246 0.529 18364 3544 1 7 . 1 1 12 12 ILE N N 12 125.260 125.260 122.916 2.344 18364 3545 1 7 . 1 1 12 12 ILE HA H 12 5.273 5.273 5.119 0.154 18364 3546 1 7 . 1 1 12 12 ILE CA C 12 55.780 55.780 58.455 -2.675 18364 3547 1 7 . 1 1 12 12 ILE CB C 12 38.767 38.767 41.303 -2.536 18364 3548 1 7 . 1 1 12 12 ILE H H 12 8.578 8.578 9.101 -0.523 18364 3549 1 7 . 1 1 13 13 VAL N N 13 126.515 126.515 123.806 2.709 18364 3550 1 7 . 1 1 13 13 VAL HA H 13 4.795 4.795 4.777 0.018 18364 3551 1 7 . 1 1 13 13 VAL CA C 13 58.115 58.115 61.093 -2.978 18364 3552 1 7 . 1 1 13 13 VAL CB C 13 32.948 32.948 35.521 -2.573 18364 3553 1 7 . 1 1 13 13 VAL H H 13 9.052 9.052 8.864 0.188 18364 3554 1 7 . 1 1 14 14 ILE N N 14 125.803 125.803 125.267 0.536 18364 3555 1 7 . 1 1 14 14 ILE HA H 14 5.008 5.008 5.092 -0.084 18364 3556 1 7 . 1 1 14 14 ILE CA C 14 57.539 57.539 59.739 -2.200 18364 3557 1 7 . 1 1 14 14 ILE CB C 14 38.656 38.656 42.726 -4.070 18364 3558 1 7 . 1 1 14 14 ILE H H 14 8.974 8.974 8.816 0.158 18364 3559 1 7 . 1 1 15 15 GLN N N 15 125.773 125.773 119.727 6.046 18364 3560 1 7 . 1 1 15 15 GLN HA H 15 5.433 5.433 4.833 0.600 18364 3561 1 7 . 1 1 15 15 GLN CA C 15 51.002 51.002 54.524 -3.522 18364 3562 1 7 . 1 1 15 15 GLN CB C 15 29.637 29.637 33.547 -3.910 18364 3563 1 7 . 1 1 15 15 GLN H H 15 9.244 9.244 8.857 0.387 18364 3564 1 7 . 1 1 16 16 GLN N N 16 119.832 119.832 118.413 1.419 18364 3565 1 7 . 1 1 16 16 GLN HA H 16 5.741 5.741 5.173 0.568 18364 3566 1 7 . 1 1 16 16 GLN CA C 16 50.572 50.572 54.557 -3.985 18364 3567 1 7 . 1 1 16 16 GLN CB C 16 30.039 30.039 32.476 -2.437 18364 3568 1 7 . 1 1 16 16 GLN H H 16 8.964 8.964 8.309 0.655 18364 3569 1 7 . 1 1 17 17 SER N N 17 115.201 115.201 116.512 -1.311 18364 3570 1 7 . 1 1 17 17 SER HA H 17 4.526 4.526 4.789 -0.263 18364 3571 1 7 . 1 1 17 17 SER CA C 17 54.831 54.831 58.344 -3.513 18364 3572 1 7 . 1 1 17 17 SER CB C 17 62.930 62.930 66.057 -3.127 18364 3573 1 7 . 1 1 17 17 SER H H 17 8.770 8.770 8.613 0.157 18364 3574 1 7 . 1 1 18 18 GLY N N 18 109.321 109.321 110.046 -0.725 18364 3575 1 7 . 1 1 18 18 GLY CA C 18 41.737 41.737 44.639 -2.902 18364 3576 1 7 . 1 1 18 18 GLY H H 18 8.798 8.798 8.342 0.456 18364 3577 1 7 . 1 1 19 19 ASP N N 19 128.121 128.121 124.383 3.738 18364 3578 1 7 . 1 1 19 19 ASP HA H 19 5.071 5.071 4.655 0.416 18364 3579 1 7 . 1 1 19 19 ASP CA C 19 51.251 51.251 55.070 -3.819 18364 3580 1 7 . 1 1 19 19 ASP CB C 19 37.872 37.872 40.163 -2.291 18364 3581 1 7 . 1 1 19 19 ASP H H 19 9.708 9.708 8.313 1.395 18364 3582 1 7 . 1 1 20 20 THR N N 20 111.610 111.610 114.904 -3.294 18364 3583 1 7 . 1 1 20 20 THR HA H 20 3.615 3.615 3.954 -0.339 18364 3584 1 7 . 1 1 20 20 THR CA C 20 63.331 63.331 63.549 -0.218 18364 3585 1 7 . 1 1 20 20 THR CB C 20 64.873 64.873 69.064 -4.191 18364 3586 1 7 . 1 1 20 20 THR H H 20 8.136 8.136 8.323 -0.187 18364 3587 1 7 . 1 1 21 21 ASP N N 21 118.304 118.304 121.164 -2.860 18364 3588 1 7 . 1 1 21 21 ASP HA H 21 4.639 4.639 4.760 -0.121 18364 3589 1 7 . 1 1 21 21 ASP CA C 21 52.945 52.945 56.124 -3.179 18364 3590 1 7 . 1 1 21 21 ASP CB C 21 37.785 37.785 41.081 -3.296 18364 3591 1 7 . 1 1 21 21 ASP H H 21 8.566 8.566 8.387 0.179 18364 3592 1 7 . 1 1 22 22 SER N N 22 114.253 114.253 114.401 -0.148 18364 3593 1 7 . 1 1 22 22 SER HA H 22 4.384 4.384 4.768 -0.384 18364 3594 1 7 . 1 1 22 22 SER CA C 22 57.170 57.170 58.014 -0.845 18364 3595 1 7 . 1 1 22 22 SER CB C 22 61.441 61.441 63.835 -2.394 18364 3596 1 7 . 1 1 22 22 SER H H 22 8.076 8.076 8.392 -0.316 18364 3597 1 7 . 1 1 23 23 PHE N N 23 119.853 119.853 120.143 -0.290 18364 3598 1 7 . 1 1 23 23 PHE HA H 23 5.010 5.010 5.564 -0.554 18364 3599 1 7 . 1 1 23 23 PHE CA C 23 53.272 53.272 54.773 -1.501 18364 3600 1 7 . 1 1 23 23 PHE CB C 23 42.021 42.021 41.853 0.168 18364 3601 1 7 . 1 1 23 23 PHE H H 23 7.611 7.611 7.842 -0.231 18364 3602 1 7 . 1 1 24 24 GLU N N 24 119.255 119.255 120.592 -1.337 18364 3603 1 7 . 1 1 24 24 GLU HA H 24 4.571 4.571 4.337 0.234 18364 3604 1 7 . 1 1 24 24 GLU CA C 24 52.642 52.642 55.133 -2.491 18364 3605 1 7 . 1 1 24 24 GLU CB C 24 28.881 28.881 33.048 -4.167 18364 3606 1 7 . 1 1 24 24 GLU H H 24 8.958 8.958 8.688 0.270 18364 3607 1 7 . 1 1 25 25 VAL N N 25 130.637 130.637 125.078 5.559 18364 3608 1 7 . 1 1 25 25 VAL HA H 25 4.859 4.859 4.635 0.224 18364 3609 1 7 . 1 1 25 25 VAL CA C 25 58.548 58.548 60.507 -1.958 18364 3610 1 7 . 1 1 25 25 VAL CB C 25 30.439 30.439 33.161 -2.722 18364 3611 1 7 . 1 1 25 25 VAL H H 25 9.678 9.678 8.305 1.373 18364 3612 1 7 . 1 1 26 26 SER N N 26 122.555 122.555 122.295 0.260 18364 3613 1 7 . 1 1 26 26 SER HA H 26 5.289 5.289 5.172 0.117 18364 3614 1 7 . 1 1 26 26 SER CA C 26 54.088 54.088 56.998 -2.910 18364 3615 1 7 . 1 1 26 26 SER CB C 26 62.476 62.476 64.172 -1.696 18364 3616 1 7 . 1 1 26 26 SER H H 26 8.883 8.883 8.128 0.755 18364 3617 1 7 . 1 1 27 27 VAL N N 27 113.682 113.682 120.474 -6.792 18364 3618 1 7 . 1 1 27 27 VAL HA H 27 5.269 5.269 4.550 0.719 18364 3619 1 7 . 1 1 27 27 VAL CA C 27 56.005 56.005 59.820 -3.815 18364 3620 1 7 . 1 1 27 27 VAL CB C 27 34.158 34.158 33.904 0.255 18364 3621 1 7 . 1 1 27 27 VAL H H 27 8.493 8.493 9.052 -0.559 18364 3622 1 7 . 1 1 28 28 SER N N 28 116.852 116.852 120.163 -3.311 18364 3623 1 7 . 1 1 28 28 SER HA H 28 5.410 5.410 4.736 0.674 18364 3624 1 7 . 1 1 28 28 SER CA C 28 54.633 54.633 58.687 -4.054 18364 3625 1 7 . 1 1 28 28 SER CB C 28 62.095 62.095 63.885 -1.790 18364 3626 1 7 . 1 1 28 28 SER H H 28 8.709 8.709 8.735 -0.026 18364 3627 1 7 . 1 1 29 29 ILE N N 29 128.765 128.765 127.495 1.270 18364 3628 1 7 . 1 1 29 29 ILE HA H 29 5.224 5.224 4.379 0.845 18364 3629 1 7 . 1 1 29 29 ILE CA C 29 57.247 57.247 60.555 -3.308 18364 3630 1 7 . 1 1 29 29 ILE CB C 29 39.144 39.144 40.080 -0.936 18364 3631 1 7 . 1 1 29 29 ILE H H 29 9.631 9.631 8.673 0.958 18364 3632 1 7 . 1 1 30 30 GLY N N 30 112.478 112.478 113.221 -0.743 18364 3633 1 7 . 1 1 30 30 GLY CA C 30 42.140 42.140 43.843 -1.703 18364 3634 1 7 . 1 1 30 30 GLY H H 30 8.095 8.095 7.839 0.256 18364 3635 1 7 . 1 1 31 31 GLY N N 31 108.502 108.502 105.260 3.242 18364 3636 1 7 . 1 1 31 31 GLY CA C 31 43.201 43.201 45.228 -2.027 18364 3637 1 7 . 1 1 31 31 GLY H H 31 9.755 9.755 7.903 1.852 18364 3638 1 7 . 1 1 32 32 ALA N N 32 122.020 122.020 120.396 1.624 18364 3639 1 7 . 1 1 32 32 ALA HA H 32 4.967 4.967 5.323 -0.356 18364 3640 1 7 . 1 1 32 32 ALA CA C 32 48.540 48.540 49.874 -1.334 18364 3641 1 7 . 1 1 32 32 ALA CB C 32 21.078 21.078 22.667 -1.589 18364 3642 1 7 . 1 1 32 32 ALA H H 32 7.338 7.338 7.792 -0.454 18364 3643 1 7 . 1 1 33 33 ASP N N 33 121.217 121.217 117.773 3.444 18364 3644 1 7 . 1 1 33 33 ASP HA H 33 3.680 3.680 5.052 -1.372 18364 3645 1 7 . 1 1 33 33 ASP CA C 33 49.520 49.520 53.407 -3.887 18364 3646 1 7 . 1 1 33 33 ASP CB C 33 40.840 40.840 44.048 -3.208 18364 3647 1 7 . 1 1 33 33 ASP H H 33 8.945 8.945 8.426 0.519 18364 3648 1 7 . 1 1 34 34 LYS N N 34 117.693 117.693 121.936 -4.243 18364 3649 1 7 . 1 1 34 34 LYS HA H 34 4.017 4.017 3.908 0.109 18364 3650 1 7 . 1 1 34 34 LYS CA C 34 56.700 56.700 58.302 -1.602 18364 3651 1 7 . 1 1 34 34 LYS CB C 34 29.772 29.772 32.218 -2.446 18364 3652 1 7 . 1 1 34 34 LYS H H 34 8.200 8.200 9.506 -1.306 18364 3653 1 7 . 1 1 35 35 GLY N N 35 106.697 106.697 104.297 2.400 18364 3654 1 7 . 1 1 35 35 GLY CA C 35 42.719 42.719 44.504 -1.784 18364 3655 1 7 . 1 1 35 35 GLY H H 35 8.653 8.653 8.094 0.559 18364 3656 1 7 . 1 1 36 36 GLY N N 36 110.824 110.824 110.254 0.570 18364 3657 1 7 . 1 1 36 36 GLY CA C 36 41.099 41.099 43.042 -1.943 18364 3658 1 7 . 1 1 36 36 GLY H H 36 7.601 7.601 8.266 -0.665 18364 3659 1 7 . 1 1 37 37 PRO HA H 37 4.571 4.571 4.354 0.217 18364 3660 1 7 . 1 1 37 37 PRO CA C 37 60.012 60.012 62.874 -2.862 18364 3661 1 7 . 1 1 37 37 PRO CB C 37 29.470 29.470 32.556 -3.086 18364 3662 1 7 . 1 1 38 38 ALA N N 38 127.841 127.841 122.479 5.362 18364 3663 1 7 . 1 1 38 38 ALA HA H 38 4.127 4.127 4.580 -0.453 18364 3664 1 7 . 1 1 38 38 ALA CA C 38 48.117 48.117 50.407 -2.290 18364 3665 1 7 . 1 1 38 38 ALA CB C 38 16.655 16.655 22.414 -5.759 18364 3666 1 7 . 1 1 38 38 ALA H H 38 7.486 7.486 7.817 -0.331 18364 3667 1 7 . 1 1 39 39 LYS N N 39 121.148 121.148 124.347 -3.199 18364 3668 1 7 . 1 1 39 39 LYS HA H 39 4.115 4.115 4.183 -0.068 18364 3669 1 7 . 1 1 39 39 LYS CA C 39 55.674 55.674 56.944 -1.270 18364 3670 1 7 . 1 1 39 39 LYS CB C 39 31.223 31.223 32.142 -0.919 18364 3671 1 7 . 1 1 39 39 LYS H H 39 8.042 8.042 8.712 -0.670 18364 3672 1 7 . 1 1 40 40 LEU N N 40 118.817 118.817 124.802 -5.985 18364 3673 1 7 . 1 1 40 40 LEU HA H 40 5.122 5.122 4.662 0.460 18364 3674 1 7 . 1 1 40 40 LEU CA C 40 50.156 50.156 54.560 -4.404 18364 3675 1 7 . 1 1 40 40 LEU CB C 40 42.172 42.172 43.583 -1.411 18364 3676 1 7 . 1 1 40 40 LEU H H 40 7.901 7.901 8.437 -0.536 18364 3677 1 7 . 1 1 41 41 TYR N N 41 117.843 117.843 117.250 0.593 18364 3678 1 7 . 1 1 41 41 TYR HA H 41 5.303 5.303 5.301 0.002 18364 3679 1 7 . 1 1 41 41 TYR CA C 41 53.394 53.394 56.615 -3.221 18364 3680 1 7 . 1 1 41 41 TYR CB C 41 39.419 39.419 41.789 -2.370 18364 3681 1 7 . 1 1 41 41 TYR H H 41 9.109 9.109 8.806 0.303 18364 3682 1 7 . 1 1 42 42 ASN N N 42 117.689 117.689 119.549 -1.860 18364 3683 1 7 . 1 1 42 42 ASN HA H 42 4.984 4.984 5.007 -0.023 18364 3684 1 7 . 1 1 42 42 ASN CA C 42 48.001 48.001 51.695 -3.694 18364 3685 1 7 . 1 1 42 42 ASN CB C 42 36.514 36.514 40.447 -3.933 18364 3686 1 7 . 1 1 42 42 ASN H H 42 8.239 8.239 8.744 -0.505 18364 3687 1 7 . 1 1 43 43 ASP N N 43 116.760 116.760 119.549 -2.789 18364 3688 1 7 . 1 1 43 43 ASP HA H 43 4.170 4.170 4.569 -0.399 18364 3689 1 7 . 1 1 43 43 ASP CA C 43 53.123 53.123 55.388 -2.265 18364 3690 1 7 . 1 1 43 43 ASP CB C 43 37.355 37.355 40.390 -3.035 18364 3691 1 7 . 1 1 43 43 ASP H H 43 8.650 8.650 8.820 -0.170 18364 3692 1 7 . 1 1 44 44 LYS N N 44 118.108 118.108 117.763 0.345 18364 3693 1 7 . 1 1 44 44 LYS HA H 44 4.359 4.359 4.214 0.145 18364 3694 1 7 . 1 1 44 44 LYS CA C 44 52.676 52.676 56.324 -3.648 18364 3695 1 7 . 1 1 44 44 LYS CB C 44 30.170 30.170 32.515 -2.345 18364 3696 1 7 . 1 1 44 44 LYS H H 44 7.505 7.505 7.599 -0.095 18364 3697 1 7 . 1 1 45 45 GLY N N 45 108.163 108.163 107.609 0.554 18364 3698 1 7 . 1 1 45 45 GLY CA C 45 42.988 42.988 45.422 -2.434 18364 3699 1 7 . 1 1 45 45 GLY H H 45 8.117 8.117 8.250 -0.133 18364 3700 1 7 . 1 1 46 46 GLU N N 46 120.173 120.173 118.445 1.728 18364 3701 1 7 . 1 1 46 46 GLU HA H 46 4.345 4.345 4.888 -0.543 18364 3702 1 7 . 1 1 46 46 GLU CA C 46 52.409 52.409 54.662 -2.253 18364 3703 1 7 . 1 1 46 46 GLU CB C 46 27.408 27.408 32.555 -5.147 18364 3704 1 7 . 1 1 46 46 GLU H H 46 7.884 7.884 7.987 -0.103 18364 3705 1 7 . 1 1 47 47 TYR N N 47 123.803 123.803 120.192 3.611 18364 3706 1 7 . 1 1 47 47 TYR HA H 47 4.351 4.351 4.430 -0.079 18364 3707 1 7 . 1 1 47 47 TYR CA C 47 54.317 54.317 57.736 -3.419 18364 3708 1 7 . 1 1 47 47 TYR CB C 47 35.858 35.858 39.027 -3.169 18364 3709 1 7 . 1 1 47 47 TYR H H 47 8.710 8.710 8.784 -0.074 18364 3710 1 7 . 1 1 48 48 ILE N N 48 123.458 123.458 117.123 6.335 18364 3711 1 7 . 1 1 48 48 ILE HA H 48 4.173 4.173 4.297 -0.124 18364 3712 1 7 . 1 1 48 48 ILE CA C 48 58.314 58.314 60.940 -2.626 18364 3713 1 7 . 1 1 48 48 ILE CB C 48 36.129 36.129 39.087 -2.958 18364 3714 1 7 . 1 1 48 48 ILE H H 48 8.416 8.416 8.191 0.225 18364 3715 1 7 . 1 1 49 49 GLY N N 49 107.257 107.257 110.003 -2.746 18364 3716 1 7 . 1 1 49 49 GLY CA C 49 41.367 41.367 45.114 -3.748 18364 3717 1 7 . 1 1 49 49 GLY H H 49 5.472 5.472 7.726 -2.254 18364 3718 1 7 . 1 1 50 50 ASP N N 50 116.887 116.887 116.087 0.800 18364 3719 1 7 . 1 1 50 50 ASP HA H 50 5.043 5.043 5.070 -0.027 18364 3720 1 7 . 1 1 50 50 ASP CA C 50 50.588 50.588 53.697 -3.109 18364 3721 1 7 . 1 1 50 50 ASP CB C 50 37.448 37.448 42.322 -4.874 18364 3722 1 7 . 1 1 50 50 ASP H H 50 8.234 8.234 8.672 -0.438 18364 3723 1 7 . 1 1 51 51 SER N N 51 112.664 112.664 113.370 -0.706 18364 3724 1 7 . 1 1 51 51 SER HA H 51 4.439 4.439 5.022 -0.583 18364 3725 1 7 . 1 1 51 51 SER CA C 51 55.489 55.489 57.719 -2.231 18364 3726 1 7 . 1 1 51 51 SER CB C 51 61.559 61.559 65.769 -4.210 18364 3727 1 7 . 1 1 51 51 SER H H 51 7.689 7.689 7.481 0.208 18364 3728 1 7 . 1 1 52 52 TYR N N 52 122.672 122.672 120.930 1.742 18364 3729 1 7 . 1 1 52 52 TYR HA H 52 4.732 4.732 4.824 -0.092 18364 3730 1 7 . 1 1 52 52 TYR CA C 52 55.168 55.168 57.333 -2.165 18364 3731 1 7 . 1 1 52 52 TYR CB C 52 38.599 38.599 39.109 -0.511 18364 3732 1 7 . 1 1 52 52 TYR H H 52 8.231 8.231 8.486 -0.255 18364 3733 1 7 . 1 1 53 53 SER N N 53 123.803 123.803 116.029 7.774 18364 3734 1 7 . 1 1 53 53 SER HA H 53 5.429 5.429 5.480 -0.051 18364 3735 1 7 . 1 1 53 53 SER CA C 53 53.508 53.508 57.357 -3.849 18364 3736 1 7 . 1 1 53 53 SER CB C 53 61.674 61.674 65.734 -4.059 18364 3737 1 7 . 1 1 53 53 SER H H 53 8.008 8.008 8.674 -0.666 18364 3738 1 7 . 1 1 54 54 ALA N N 54 125.516 125.516 124.610 0.906 18364 3739 1 7 . 1 1 54 54 ALA HA H 54 4.289 4.289 4.775 -0.486 18364 3740 1 7 . 1 1 54 54 ALA CA C 54 49.097 49.097 50.858 -1.762 18364 3741 1 7 . 1 1 54 54 ALA CB C 54 20.259 20.259 22.435 -2.176 18364 3742 1 7 . 1 1 54 54 ALA H H 54 8.089 8.089 9.065 -0.976 18364 3743 1 7 . 1 1 55 55 GLN N N 55 118.838 118.838 120.332 -1.494 18364 3744 1 7 . 1 1 55 55 GLN HA H 55 4.975 4.975 5.330 -0.355 18364 3745 1 7 . 1 1 55 55 GLN CA C 55 52.306 52.306 53.552 -1.246 18364 3746 1 7 . 1 1 55 55 GLN CB C 55 26.138 26.138 31.914 -5.776 18364 3747 1 7 . 1 1 55 55 GLN H H 55 8.100 8.100 8.612 -0.512 18364 3748 1 7 . 1 1 56 56 ILE N N 56 124.748 124.748 127.620 -2.872 18364 3749 1 7 . 1 1 56 56 ILE HA H 56 4.246 4.246 4.178 0.068 18364 3750 1 7 . 1 1 56 56 ILE CA C 56 57.529 57.529 60.164 -2.635 18364 3751 1 7 . 1 1 56 56 ILE CB C 56 34.915 34.915 35.055 -0.140 18364 3752 1 7 . 1 1 56 56 ILE H H 56 8.910 8.910 8.582 0.328 18364 3753 1 7 . 1 1 57 57 ARG N N 57 127.183 127.183 123.869 3.314 18364 3754 1 7 . 1 1 57 57 ARG HA H 57 4.777 4.777 4.654 0.123 18364 3755 1 7 . 1 1 57 57 ARG CA C 57 52.455 52.455 54.624 -2.169 18364 3756 1 7 . 1 1 57 57 ARG CB C 57 28.839 28.839 30.115 -1.276 18364 3757 1 7 . 1 1 57 57 ARG H H 57 8.979 8.979 7.818 1.161 18364 3758 1 7 . 1 1 58 58 THR N N 58 109.995 109.995 109.494 0.501 18364 3759 1 7 . 1 1 58 58 THR HA H 58 4.529 4.529 4.582 -0.053 18364 3760 1 7 . 1 1 58 58 THR CA C 58 57.124 57.124 59.689 -2.565 18364 3761 1 7 . 1 1 58 58 THR CB C 58 68.143 68.143 71.911 -3.768 18364 3762 1 7 . 1 1 58 58 THR H H 58 7.150 7.150 7.458 -0.308 18364 3763 1 7 . 1 1 59 59 ALA N N 59 123.143 123.143 124.702 -1.559 18364 3764 1 7 . 1 1 59 59 ALA HA H 59 4.167 4.167 4.267 -0.100 18364 3765 1 7 . 1 1 59 59 ALA CA C 59 52.603 52.603 54.227 -1.624 18364 3766 1 7 . 1 1 59 59 ALA CB C 59 16.910 16.910 19.157 -2.247 18364 3767 1 7 . 1 1 59 59 ALA H H 59 8.531 8.531 8.595 -0.064 18364 3768 1 7 . 1 1 60 60 THR N N 60 105.988 105.988 105.616 0.372 18364 3769 1 7 . 1 1 60 60 THR HA H 60 5.471 5.471 4.812 0.659 18364 3770 1 7 . 1 1 60 60 THR CA C 60 56.904 56.904 60.623 -3.719 18364 3771 1 7 . 1 1 60 60 THR CB C 60 69.111 69.111 72.269 -3.158 18364 3772 1 7 . 1 1 60 60 THR H H 60 7.521 7.521 7.183 0.338 18364 3773 1 7 . 1 1 61 61 MET N N 61 124.706 124.706 119.723 4.983 18364 3774 1 7 . 1 1 61 61 MET HA H 61 4.641 4.641 4.943 -0.302 18364 3775 1 7 . 1 1 61 61 MET CA C 61 52.883 52.883 54.785 -1.902 18364 3776 1 7 . 1 1 61 61 MET CB C 61 32.345 32.345 37.397 -5.052 18364 3777 1 7 . 1 1 61 61 MET H H 61 8.758 8.758 9.302 -0.544 18364 3778 1 7 . 1 1 62 62 SER N N 62 117.004 117.004 115.153 1.851 18364 3779 1 7 . 1 1 62 62 SER HA H 62 5.551 5.551 5.136 0.415 18364 3780 1 7 . 1 1 62 62 SER CA C 62 54.255 54.255 57.794 -3.539 18364 3781 1 7 . 1 1 62 62 SER CB C 62 64.130 64.130 65.253 -1.123 18364 3782 1 7 . 1 1 62 62 SER H H 62 8.164 8.164 8.547 -0.383 18364 3783 1 7 . 1 1 63 63 CYS N N 63 120.270 120.270 118.955 1.315 18364 3784 1 7 . 1 1 63 63 CYS HA H 63 5.075 5.075 5.349 -0.274 18364 3785 1 7 . 1 1 63 63 CYS CA C 63 54.676 54.676 57.396 -2.720 18364 3786 1 7 . 1 1 63 63 CYS CB C 63 28.679 28.679 32.466 -3.787 18364 3787 1 7 . 1 1 63 63 CYS H H 63 8.537 8.537 8.469 0.068 18364 3788 1 7 . 1 1 64 64 CYS N N 64 120.868 120.868 118.478 2.390 18364 3789 1 7 . 1 1 64 64 CYS HA H 64 5.918 5.918 5.399 0.519 18364 3790 1 7 . 1 1 64 64 CYS CA C 64 53.204 53.204 55.755 -2.551 18364 3791 1 7 . 1 1 64 64 CYS CB C 64 30.216 30.216 31.696 -1.480 18364 3792 1 7 . 1 1 64 64 CYS H H 64 9.307 9.307 8.843 0.464 18364 3793 1 7 . 1 1 65 65 THR N N 65 109.830 109.830 112.552 -2.722 18364 3794 1 7 . 1 1 65 65 THR HA H 65 5.426 5.426 4.828 0.598 18364 3795 1 7 . 1 1 65 65 THR CA C 65 58.465 58.465 60.742 -2.277 18364 3796 1 7 . 1 1 65 65 THR CB C 65 69.665 69.665 70.651 -0.986 18364 3797 1 7 . 1 1 65 65 THR H H 65 8.447 8.447 8.077 0.370 18364 3798 1 7 . 1 1 66 66 ASN N N 66 114.459 114.459 119.014 -4.555 18364 3799 1 7 . 1 1 66 66 ASN HA H 66 4.656 4.656 4.436 0.220 18364 3800 1 7 . 1 1 66 66 ASN CA C 66 49.879 49.879 53.118 -3.239 18364 3801 1 7 . 1 1 66 66 ASN CB C 66 36.267 36.267 38.959 -2.692 18364 3802 1 7 . 1 1 66 66 ASN H H 66 9.300 9.300 8.303 0.997 18364 3803 1 7 . 1 1 67 67 GLY N N 67 103.647 103.647 107.561 -3.914 18364 3804 1 7 . 1 1 67 67 GLY CA C 67 43.796 43.796 44.781 -0.985 18364 3805 1 7 . 1 1 67 67 GLY H H 67 8.237 8.237 8.636 -0.399 18364 3806 1 7 . 1 1 69 69 ALA N N 69 121.911 121.911 124.101 -2.190 18364 3807 1 7 . 1 1 69 69 ALA HA H 69 4.244 4.244 4.736 -0.492 18364 3808 1 7 . 1 1 69 69 ALA CA C 69 49.758 49.758 51.896 -2.138 18364 3809 1 7 . 1 1 69 69 ALA CB C 69 17.376 17.376 21.540 -4.164 18364 3810 1 7 . 1 1 69 69 ALA H H 69 7.677 7.677 7.923 -0.246 18364 3811 1 7 . 1 1 70 70 PHE N N 70 114.118 114.118 118.952 -4.834 18364 3812 1 7 . 1 1 70 70 PHE HA H 70 4.965 4.965 4.907 0.058 18364 3813 1 7 . 1 1 70 70 PHE CA C 70 53.129 53.129 59.056 -5.927 18364 3814 1 7 . 1 1 70 70 PHE CB C 70 37.917 37.917 41.762 -3.845 18364 3815 1 7 . 1 1 70 70 PHE H H 70 8.549 8.549 8.600 -0.051 18364 3816 1 7 . 1 1 71 71 PHE N N 71 110.252 110.252 112.730 -2.478 18364 3817 1 7 . 1 1 71 71 PHE HA H 71 4.247 4.247 4.692 -0.445 18364 3818 1 7 . 1 1 71 71 PHE CA C 71 54.475 54.475 55.620 -1.145 18364 3819 1 7 . 1 1 71 71 PHE CB C 71 38.123 38.123 41.436 -3.313 18364 3820 1 7 . 1 1 71 71 PHE H H 71 6.617 6.617 6.894 -0.277 18364 3821 1 7 . 1 1 72 72 MET N N 72 118.637 118.637 118.218 0.419 18364 3822 1 7 . 1 1 72 72 MET HA H 72 4.800 4.800 4.636 0.164 18364 3823 1 7 . 1 1 72 72 MET CA C 72 53.108 53.108 55.174 -2.066 18364 3824 1 7 . 1 1 72 72 MET CB C 72 35.826 35.826 36.910 -1.084 18364 3825 1 7 . 1 1 72 72 MET H H 72 8.162 8.162 8.302 -0.140 18364 3826 1 7 . 1 1 73 73 THR N N 73 117.278 117.278 117.373 -0.095 18364 3827 1 7 . 1 1 73 73 THR HA H 73 5.018 5.018 5.002 0.017 18364 3828 1 7 . 1 1 73 73 THR CA C 73 58.316 58.316 61.173 -2.857 18364 3829 1 7 . 1 1 73 73 THR CB C 73 69.118 69.118 71.149 -2.031 18364 3830 1 7 . 1 1 73 73 THR H H 73 9.220 9.220 8.242 0.978 18364 3831 1 7 . 1 1 74 74 CYS N N 74 124.101 124.101 125.525 -1.424 18364 3832 1 7 . 1 1 74 74 CYS HA H 74 5.076 5.076 5.210 -0.134 18364 3833 1 7 . 1 1 74 74 CYS CA C 74 54.219 54.219 58.041 -3.822 18364 3834 1 7 . 1 1 74 74 CYS CB C 74 27.012 27.012 28.901 -1.889 18364 3835 1 7 . 1 1 74 74 CYS H H 74 8.958 8.958 8.208 0.750 18364 3836 1 7 . 1 1 75 75 ALA N N 75 132.901 132.901 129.388 3.513 18364 3837 1 7 . 1 1 75 75 ALA HA H 75 4.975 4.975 5.101 -0.126 18364 3838 1 7 . 1 1 75 75 ALA CA C 75 47.826 47.826 50.212 -2.386 18364 3839 1 7 . 1 1 75 75 ALA CB C 75 18.111 18.111 22.519 -4.408 18364 3840 1 7 . 1 1 75 75 ALA H H 75 8.834 8.834 8.133 0.701 18364 3841 1 7 . 1 1 76 76 GLY N N 76 110.691 110.691 108.809 1.882 18364 3842 1 7 . 1 1 76 76 GLY CA C 76 41.784 41.784 44.694 -2.910 18364 3843 1 7 . 1 1 76 76 GLY H H 76 8.265 8.265 7.476 0.789 18364 3844 1 7 . 1 1 77 77 SER N N 77 115.145 115.145 113.947 1.198 18364 3845 1 7 . 1 1 77 77 SER HA H 77 4.980 4.980 4.768 0.212 18364 3846 1 7 . 1 1 77 77 SER CA C 77 54.022 54.022 57.414 -3.392 18364 3847 1 7 . 1 1 77 77 SER CB C 77 62.987 62.987 66.882 -3.895 18364 3848 1 7 . 1 1 77 77 SER H H 77 8.723 8.723 8.283 0.440 18364 3849 1 7 . 1 1 78 78 VAL N N 78 124.775 124.775 118.812 5.963 18364 3850 1 7 . 1 1 78 78 VAL HA H 78 4.634 4.634 4.941 -0.307 18364 3851 1 7 . 1 1 78 78 VAL CA C 78 58.437 58.437 60.432 -1.995 18364 3852 1 7 . 1 1 78 78 VAL CB C 78 32.177 32.177 35.234 -3.057 18364 3853 1 7 . 1 1 78 78 VAL H H 78 8.963 8.963 8.767 0.196 18364 3854 1 7 . 1 1 79 79 SER N N 79 118.951 118.951 117.469 1.482 18364 3855 1 7 . 1 1 79 79 SER HA H 79 5.619 5.619 5.209 0.410 18364 3856 1 7 . 1 1 79 79 SER CA C 79 53.011 53.011 57.084 -4.073 18364 3857 1 7 . 1 1 79 79 SER CB C 79 64.197 64.197 65.563 -1.366 18364 3858 1 7 . 1 1 79 79 SER H H 79 8.661 8.661 8.660 0.001 18364 3859 1 7 . 1 1 80 80 SER N N 80 114.750 114.750 117.026 -2.276 18364 3860 1 7 . 1 1 80 80 SER HA H 80 4.439 4.439 5.050 -0.611 18364 3861 1 7 . 1 1 80 80 SER CA C 80 56.198 56.198 58.106 -1.908 18364 3862 1 7 . 1 1 80 80 SER CB C 80 63.490 63.490 66.324 -2.834 18364 3863 1 7 . 1 1 80 80 SER H H 80 8.563 8.563 8.820 -0.257 18364 3864 1 7 . 1 1 81 81 ILE N N 81 120.003 120.003 122.664 -2.661 18364 3865 1 7 . 1 1 81 81 ILE HA H 81 4.576 4.576 4.449 0.127 18364 3866 1 7 . 1 1 81 81 ILE CA C 81 57.951 57.951 58.891 -0.940 18364 3867 1 7 . 1 1 81 81 ILE CB C 81 36.011 36.011 36.848 -0.837 18364 3868 1 7 . 1 1 81 81 ILE H H 81 8.366 8.366 8.951 -0.585 18364 3869 1 7 . 1 1 82 82 SER N N 82 119.139 119.139 116.807 2.332 18364 3870 1 7 . 1 1 82 82 SER HA H 82 4.158 4.158 4.370 -0.212 18364 3871 1 7 . 1 1 82 82 SER CA C 82 56.910 56.910 58.064 -1.154 18364 3872 1 7 . 1 1 82 82 SER CB C 82 62.055 62.055 64.241 -2.186 18364 3873 1 7 . 1 1 82 82 SER H H 82 8.204 8.204 7.960 0.244 18364 3874 1 7 . 1 1 83 83 GLU N N 83 118.350 118.350 119.806 -1.456 18364 3875 1 7 . 1 1 83 83 GLU HA H 83 4.133 4.133 4.270 -0.137 18364 3876 1 7 . 1 1 83 83 GLU CA C 83 53.267 53.267 56.380 -3.113 18364 3877 1 7 . 1 1 83 83 GLU CB C 83 27.763 27.763 30.079 -2.316 18364 3878 1 7 . 1 1 83 83 GLU H H 83 8.381 8.381 8.421 -0.040 18364 3879 1 7 . 1 1 84 84 ALA N N 84 121.665 121.665 122.320 -0.655 18364 3880 1 7 . 1 1 84 84 ALA HA H 84 3.542 3.542 4.041 -0.499 18364 3881 1 7 . 1 1 84 84 ALA CA C 84 50.621 50.621 53.407 -2.786 18364 3882 1 7 . 1 1 84 84 ALA CB C 84 16.540 16.540 18.824 -2.284 18364 3883 1 7 . 1 1 84 84 ALA H H 84 8.482 8.482 8.253 0.229 18364 3884 1 7 . 1 1 85 85 GLY N N 85 108.356 108.356 109.301 -0.945 18364 3885 1 7 . 1 1 85 85 GLY CA C 85 42.955 42.955 45.200 -2.245 18364 3886 1 7 . 1 1 85 85 GLY H H 85 8.078 8.078 8.616 -0.538 18364 3887 1 7 . 1 1 86 86 LYS N N 86 121.491 121.491 120.511 0.980 18364 3888 1 7 . 1 1 86 86 LYS HA H 86 4.638 4.638 4.521 0.117 18364 3889 1 7 . 1 1 86 86 LYS CA C 86 51.073 51.073 55.460 -4.387 18364 3890 1 7 . 1 1 86 86 LYS CB C 86 29.750 29.750 33.200 -3.450 18364 3891 1 7 . 1 1 86 86 LYS H H 86 8.225 8.225 7.937 0.288 18364 3892 1 7 . 1 1 87 87 ARG N N 87 121.874 121.874 116.446 5.428 18364 3893 1 7 . 1 1 87 87 ARG HA H 87 5.673 5.673 5.108 0.565 18364 3894 1 7 . 1 1 87 87 ARG CA C 87 52.139 52.139 55.318 -3.179 18364 3895 1 7 . 1 1 87 87 ARG CB C 87 32.163 32.163 35.031 -2.868 18364 3896 1 7 . 1 1 87 87 ARG H H 87 9.979 9.979 9.005 0.974 18364 3897 1 7 . 1 1 88 88 LEU N N 88 125.264 125.264 122.870 2.394 18364 3898 1 7 . 1 1 88 88 LEU HA H 88 4.562 4.562 4.947 -0.385 18364 3899 1 7 . 1 1 88 88 LEU CA C 88 50.284 50.284 55.064 -4.780 18364 3900 1 7 . 1 1 88 88 LEU CB C 88 42.309 42.309 45.661 -3.352 18364 3901 1 7 . 1 1 88 88 LEU H H 88 8.756 8.756 8.711 0.045 18364 3902 1 7 . 1 1 89 89 HIS N N 89 125.453 125.453 127.085 -1.632 18364 3903 1 7 . 1 1 89 89 HIS HA H 89 5.188 5.188 5.318 -0.130 18364 3904 1 7 . 1 1 89 89 HIS CA C 89 51.389 51.389 54.400 -3.011 18364 3905 1 7 . 1 1 89 89 HIS CB C 89 27.731 27.731 33.089 -5.358 18364 3906 1 7 . 1 1 89 89 HIS H H 89 8.910 8.910 9.245 -0.335 18364 3907 1 7 . 1 1 90 90 ILE N N 90 126.486 126.486 127.478 -0.992 18364 3908 1 7 . 1 1 90 90 ILE HA H 90 5.020 5.020 4.729 0.291 18364 3909 1 7 . 1 1 90 90 ILE CA C 90 55.642 55.642 59.256 -3.614 18364 3910 1 7 . 1 1 90 90 ILE CB C 90 38.696 38.696 41.171 -2.475 18364 3911 1 7 . 1 1 90 90 ILE H H 90 8.689 8.689 8.761 -0.072 18364 3912 1 7 . 1 1 91 91 THR N N 91 123.200 123.200 122.338 0.862 18364 3913 1 7 . 1 1 91 91 THR HA H 91 5.017 5.017 4.961 0.056 18364 3914 1 7 . 1 1 91 91 THR CA C 91 58.555 58.555 61.343 -2.788 18364 3915 1 7 . 1 1 91 91 THR CB C 91 68.702 68.702 70.467 -1.765 18364 3916 1 7 . 1 1 91 91 THR H H 91 8.636 8.636 8.238 0.398 18364 3917 1 7 . 1 1 92 92 VAL N N 92 127.071 127.071 122.876 4.195 18364 3918 1 7 . 1 1 92 92 VAL HA H 92 5.018 5.018 5.033 -0.015 18364 3919 1 7 . 1 1 92 92 VAL CA C 92 57.969 57.969 60.785 -2.816 18364 3920 1 7 . 1 1 92 92 VAL CB C 92 31.323 31.323 34.183 -2.860 18364 3921 1 7 . 1 1 92 92 VAL H H 92 9.162 9.162 9.001 0.161 18364 3922 1 7 . 1 1 93 93 ILE N N 93 127.095 127.095 122.449 4.646 18364 3923 1 7 . 1 1 93 93 ILE HA H 93 4.461 4.461 5.105 -0.644 18364 3924 1 7 . 1 1 93 93 ILE CA C 93 57.972 57.972 59.744 -1.772 18364 3925 1 7 . 1 1 93 93 ILE CB C 93 38.929 38.929 42.553 -3.624 18364 3926 1 7 . 1 1 93 93 ILE H H 93 9.313 9.313 9.107 0.206 18364 3927 1 7 . 1 1 94 94 GLY N N 94 111.893 111.893 109.431 2.462 18364 3928 1 7 . 1 1 94 94 GLY CA C 94 41.781 41.781 44.416 -2.635 18364 3929 1 7 . 1 1 94 94 GLY H H 94 8.577 8.577 8.564 0.013 18364 3930 1 7 . 1 1 95 95 TYR N N 95 123.099 123.099 119.623 3.476 18364 3931 1 7 . 1 1 95 95 TYR HA H 95 5.399 5.399 5.431 -0.032 18364 3932 1 7 . 1 1 95 95 TYR CA C 95 54.052 54.052 56.705 -2.653 18364 3933 1 7 . 1 1 95 95 TYR CB C 95 41.285 41.285 43.680 -2.395 18364 3934 1 7 . 1 1 95 95 TYR H H 95 9.640 9.640 9.222 0.418 18364 3935 1 7 . 1 1 96 96 ILE N N 96 116.705 116.705 119.803 -3.098 18364 3936 1 7 . 1 1 96 96 ILE HA H 96 4.208 4.208 4.575 -0.367 18364 3937 1 7 . 1 1 96 96 ILE CA C 96 58.977 58.977 60.227 -1.250 18364 3938 1 7 . 1 1 96 96 ILE CB C 96 37.245 37.245 41.964 -4.719 18364 3939 1 7 . 1 1 96 96 ILE H H 96 8.270 8.270 9.000 -0.730 18364 3940 1 7 . 1 1 97 97 ASP N N 97 130.442 130.442 127.539 2.903 18364 3941 1 7 . 1 1 97 97 ASP HA H 97 4.165 4.165 4.134 0.031 18364 3942 1 7 . 1 1 97 97 ASP CA C 97 53.736 53.736 57.169 -3.433 18364 3943 1 7 . 1 1 97 97 ASP CB C 97 36.870 36.870 40.282 -3.412 18364 3944 1 7 . 1 1 97 97 ASP H H 97 9.849 9.849 8.650 1.199 18364 3945 1 7 . 1 1 98 98 ASP N N 98 114.957 114.957 121.102 -6.145 18364 3946 1 7 . 1 1 98 98 ASP HA H 98 4.694 4.694 4.791 -0.097 18364 3947 1 7 . 1 1 98 98 ASP CB C 98 36.266 36.266 42.223 -5.957 18364 3948 1 7 . 1 1 98 98 ASP H H 98 8.355 8.355 8.127 0.228 18364 3949 1 7 . 1 1 99 99 LYS N N 99 121.680 121.680 119.849 1.831 18364 3950 1 7 . 1 1 99 99 LYS HA H 99 4.590 4.590 4.677 -0.087 18364 3951 1 7 . 1 1 99 99 LYS CA C 99 52.354 52.354 55.181 -2.826 18364 3952 1 7 . 1 1 99 99 LYS CB C 99 30.958 30.958 36.774 -5.816 18364 3953 1 7 . 1 1 99 99 LYS H H 99 8.049 8.049 8.396 -0.347 18364 3954 1 7 . 1 1 100 100 GLU N N 100 127.574 127.574 122.910 4.664 18364 3955 1 7 . 1 1 100 100 GLU HA H 100 3.804 3.804 3.594 0.210 18364 3956 1 7 . 1 1 100 100 GLU CA C 100 54.562 54.562 57.825 -3.263 18364 3957 1 7 . 1 1 100 100 GLU CB C 100 26.808 26.808 29.760 -2.952 18364 3958 1 7 . 1 1 100 100 GLU H H 100 8.839 8.839 8.682 0.157 18364 3959 1 7 . 1 1 101 101 VAL N N 101 120.606 120.606 119.004 1.602 18364 3960 1 7 . 1 1 101 101 VAL HA H 101 4.534 4.534 4.431 0.103 18364 3961 1 7 . 1 1 101 101 VAL CA C 101 58.379 58.379 61.965 -3.586 18364 3962 1 7 . 1 1 101 101 VAL CB C 101 31.223 31.223 33.886 -2.663 18364 3963 1 7 . 1 1 101 101 VAL H H 101 8.997 8.997 8.595 0.402 18364 3964 1 7 . 1 1 102 102 ASN N N 102 118.568 118.568 120.271 -1.703 18364 3965 1 7 . 1 1 102 102 ASN HA H 102 4.782 4.782 4.868 -0.086 18364 3966 1 7 . 1 1 102 102 ASN CA C 102 50.154 50.154 52.578 -2.424 18364 3967 1 7 . 1 1 102 102 ASN CB C 102 38.848 38.848 41.357 -2.509 18364 3968 1 7 . 1 1 102 102 ASN H H 102 7.598 7.598 8.032 -0.434 18364 3969 1 7 . 1 1 103 103 ARG N N 103 120.366 120.366 120.498 -0.132 18364 3970 1 7 . 1 1 103 103 ARG HA H 103 5.051 5.051 5.410 -0.359 18364 3971 1 7 . 1 1 103 103 ARG CA C 103 52.900 52.900 55.215 -2.315 18364 3972 1 7 . 1 1 103 103 ARG CB C 103 31.710 31.710 32.444 -0.734 18364 3973 1 7 . 1 1 103 103 ARG H H 103 8.155 8.155 8.406 -0.251 18364 3974 1 7 . 1 1 104 104 LEU N N 104 128.859 128.859 118.503 10.356 18364 3975 1 7 . 1 1 104 104 LEU HA H 104 4.553 4.553 5.017 -0.464 18364 3976 1 7 . 1 1 104 104 LEU CA C 104 51.272 51.272 53.688 -2.416 18364 3977 1 7 . 1 1 104 104 LEU CB C 104 43.549 43.549 46.096 -2.547 18364 3978 1 7 . 1 1 104 104 LEU H H 104 9.271 9.271 8.955 0.316 18364 3979 1 7 . 1 1 105 105 GLU N N 105 125.663 125.663 118.754 6.909 18364 3980 1 7 . 1 1 105 105 GLU HA H 105 5.179 5.179 5.258 -0.079 18364 3981 1 7 . 1 1 105 105 GLU CA C 105 51.966 51.966 54.804 -2.838 18364 3982 1 7 . 1 1 105 105 GLU CB C 105 29.358 29.358 33.004 -3.646 18364 3983 1 7 . 1 1 105 105 GLU H H 105 8.346 8.346 8.425 -0.079 18364 3984 1 7 . 1 1 106 106 LYS N N 106 123.659 123.659 120.894 2.765 18364 3985 1 7 . 1 1 106 106 LYS HA H 106 4.281 4.281 4.404 -0.123 18364 3986 1 7 . 1 1 106 106 LYS CA C 106 51.118 51.118 55.033 -3.915 18364 3987 1 7 . 1 1 106 106 LYS CB C 106 34.761 34.761 36.689 -1.928 18364 3988 1 7 . 1 1 106 106 LYS H H 106 8.526 8.526 8.627 -0.101 18364 3989 1 7 . 1 1 107 107 GLU N N 107 121.917 121.917 120.392 1.525 18364 3990 1 7 . 1 1 107 107 GLU HA H 107 4.949 4.949 5.054 -0.105 18364 3991 1 7 . 1 1 107 107 GLU CA C 107 51.404 51.404 54.759 -3.355 18364 3992 1 7 . 1 1 107 107 GLU CB C 107 29.906 29.906 32.633 -2.727 18364 3993 1 7 . 1 1 107 107 GLU H H 107 7.773 7.773 7.912 -0.139 18364 3994 1 7 . 1 1 108 108 TYR N N 108 124.981 124.981 121.325 3.656 18364 3995 1 7 . 1 1 108 108 TYR HA H 108 4.720 4.720 4.766 -0.046 18364 3996 1 7 . 1 1 108 108 TYR CA C 108 54.188 54.188 57.060 -2.872 18364 3997 1 7 . 1 1 108 108 TYR CB C 108 39.101 39.101 42.324 -3.223 18364 3998 1 7 . 1 1 108 108 TYR H H 108 9.031 9.031 8.914 0.117 18364 3999 1 7 . 1 1 109 109 ILE N N 109 121.680 121.680 121.667 0.013 18364 4000 1 7 . 1 1 109 109 ILE HA H 109 5.471 5.471 4.656 0.815 18364 4001 1 7 . 1 1 109 109 ILE CA C 109 56.592 56.592 60.008 -3.416 18364 4002 1 7 . 1 1 109 109 ILE CB C 109 38.728 38.728 41.707 -2.979 18364 4003 1 7 . 1 1 109 109 ILE H H 109 8.475 8.475 8.416 0.059 18364 4004 1 7 . 1 1 110 110 THR N N 110 117.537 117.537 118.426 -0.889 18364 4005 1 7 . 1 1 110 110 THR HA H 110 4.521 4.521 4.478 0.043 18364 4006 1 7 . 1 1 110 110 THR CA C 110 59.337 59.337 61.931 -2.594 18364 4007 1 7 . 1 1 110 110 THR CB C 110 67.143 67.143 70.035 -2.892 18364 4008 1 7 . 1 1 110 110 THR H H 110 9.180 9.180 8.238 0.942 18364 4009 1 7 . 1 1 111 111 ASP N N 111 122.428 122.428 125.758 -3.330 18364 4010 1 7 . 1 1 111 111 ASP HA H 111 4.721 4.721 4.725 -0.004 18364 4011 1 7 . 1 1 111 111 ASP CA C 111 50.135 50.135 54.000 -3.865 18364 4012 1 7 . 1 1 111 111 ASP CB C 111 39.613 39.613 40.708 -1.095 18364 4013 1 7 . 1 1 111 111 ASP H H 111 9.342 9.342 8.670 0.672 18364 4014 1 7 . 1 1 112 112 GLY N N 112 110.714 110.714 107.624 3.090 18364 4015 1 7 . 1 1 112 112 GLY CA C 112 43.084 43.084 45.195 -2.111 18364 4016 1 7 . 1 1 112 112 GLY H H 112 8.333 8.333 8.614 -0.281 18364 4017 1 7 . 1 1 113 113 ASN N N 113 119.462 119.462 118.797 0.665 18364 4018 1 7 . 1 1 113 113 ASN HA H 113 4.926 4.926 4.829 0.097 18364 4019 1 7 . 1 1 113 113 ASN CA C 113 49.373 49.373 53.303 -3.930 18364 4020 1 7 . 1 1 113 113 ASN CB C 113 37.377 37.377 38.889 -1.512 18364 4021 1 7 . 1 1 113 113 ASN H H 113 8.210 8.210 8.068 0.142 18364 4022 1 7 . 1 1 114 114 THR N N 114 117.962 117.962 115.758 2.204 18364 4023 1 7 . 1 1 114 114 THR HA H 114 4.136 4.136 4.395 -0.259 18364 4024 1 7 . 1 1 114 114 THR CA C 114 62.066 62.066 61.460 0.606 18364 4025 1 7 . 1 1 114 114 THR CB C 114 66.489 66.489 70.102 -3.613 18364 4026 1 7 . 1 1 114 114 THR H H 114 8.436 8.436 8.188 0.248 18364 4027 1 7 . 1 1 115 115 LEU N N 115 132.998 132.998 129.320 3.678 18364 4028 1 7 . 1 1 115 115 LEU HA H 115 4.607 4.607 4.355 0.252 18364 4029 1 7 . 1 1 115 115 LEU CA C 115 52.335 52.335 55.473 -3.138 18364 4030 1 7 . 1 1 115 115 LEU CB C 115 41.546 41.546 41.938 -0.391 18364 4031 1 7 . 1 1 115 115 LEU H H 115 8.789 8.789 8.259 0.530 18364 4032 1 7 . 1 1 116 116 ILE N N 116 126.586 126.586 123.795 2.791 18364 4033 1 7 . 1 1 116 116 ILE HA H 116 4.784 4.784 4.682 0.102 18364 4034 1 7 . 1 1 116 116 ILE CA C 116 58.270 58.270 60.063 -1.794 18364 4035 1 7 . 1 1 116 116 ILE CB C 116 37.909 37.909 42.505 -4.596 18364 4036 1 7 . 1 1 116 116 ILE H H 116 8.637 8.637 8.200 0.437 18364 4037 1 7 . 1 1 117 117 GLU N N 117 127.084 127.084 122.962 4.122 18364 4038 1 7 . 1 1 117 117 GLU HA H 117 4.830 4.830 4.752 0.078 18364 4039 1 7 . 1 1 117 117 GLU CA C 117 51.847 51.847 54.754 -2.907 18364 4040 1 7 . 1 1 117 117 GLU CB C 117 32.299 32.299 34.449 -2.150 18364 4041 1 7 . 1 1 117 117 GLU H H 117 8.933 8.933 8.464 0.469 18364 4042 1 7 . 1 1 118 118 THR N N 118 110.826 110.826 112.024 -1.198 18364 4043 1 7 . 1 1 118 118 THR HA H 118 5.190 5.190 4.501 0.689 18364 4044 1 7 . 1 1 118 118 THR CA C 118 57.036 57.036 60.459 -3.423 18364 4045 1 7 . 1 1 118 118 THR CB C 118 69.888 69.888 70.534 -0.646 18364 4046 1 7 . 1 1 118 118 THR H H 118 8.664 8.664 8.423 0.241 18364 4047 1 7 . 1 1 119 119 PHE N N 119 115.915 115.915 116.480 -0.565 18364 4048 1 7 . 1 1 119 119 PHE HA H 119 4.999 4.999 4.892 0.107 18364 4049 1 7 . 1 1 119 119 PHE CA C 119 53.804 53.804 57.183 -3.379 18364 4050 1 7 . 1 1 119 119 PHE CB C 119 39.787 39.787 41.593 -1.806 18364 4051 1 7 . 1 1 119 119 PHE H H 119 8.087 8.087 7.877 0.210 18364 4052 1 7 . 1 1 120 120 SER N N 120 114.953 114.953 115.253 -0.300 18364 4053 1 7 . 1 1 120 120 SER HA H 120 5.383 5.383 5.259 0.124 18364 4054 1 7 . 1 1 120 120 SER CA C 120 55.192 55.192 58.138 -2.946 18364 4055 1 7 . 1 1 120 120 SER CB C 120 62.113 62.113 65.793 -3.679 18364 4056 1 7 . 1 1 120 120 SER H H 120 8.627 8.627 8.481 0.146 18364 4057 1 7 . 1 1 121 121 VAL N N 121 124.122 124.122 124.318 -0.196 18364 4058 1 7 . 1 1 121 121 VAL HA H 121 4.349 4.349 4.398 -0.049 18364 4059 1 7 . 1 1 121 121 VAL CA C 121 59.005 59.005 62.262 -3.257 18364 4060 1 7 . 1 1 121 121 VAL CB C 121 34.127 34.127 34.462 -0.335 18364 4061 1 7 . 1 1 121 121 VAL H H 121 8.866 8.866 8.776 0.090 18364 4062 1 7 . 1 1 122 122 SER N N 122 119.703 119.703 121.377 -1.674 18364 4063 1 7 . 1 1 122 122 SER HA H 122 5.598 5.598 5.306 0.292 18364 4064 1 7 . 1 1 122 122 SER CA C 122 53.065 53.065 56.801 -3.736 18364 4065 1 7 . 1 1 122 122 SER CB C 122 63.442 63.442 65.430 -1.988 18364 4066 1 7 . 1 1 122 122 SER H H 122 8.334 8.334 8.596 -0.262 18364 4067 1 7 . 1 1 123 123 THR N N 123 113.276 113.276 115.628 -2.352 18364 4068 1 7 . 1 1 123 123 THR HA H 123 4.093 4.093 4.468 -0.375 18364 4069 1 7 . 1 1 123 123 THR CA C 123 60.143 60.143 61.896 -1.753 18364 4070 1 7 . 1 1 123 123 THR CB C 123 64.437 64.437 68.115 -3.678 18364 4071 1 7 . 1 1 123 123 THR H H 123 8.898 8.898 9.029 -0.131 18364 4072 1 7 . 1 1 124 124 LYS N N 124 119.191 119.191 120.477 -1.286 18364 4073 1 7 . 1 1 124 124 LYS HA H 124 4.324 4.324 4.444 -0.120 18364 4074 1 7 . 1 1 124 124 LYS CA C 124 53.486 53.486 56.897 -3.411 18364 4075 1 7 . 1 1 124 124 LYS CB C 124 32.376 32.376 34.836 -2.460 18364 4076 1 7 . 1 1 124 124 LYS H H 124 7.569 7.569 7.448 0.121 18364 4077 1 7 . 1 1 125 125 GLU N N 125 124.243 124.243 125.068 -0.825 18364 4078 1 7 . 1 1 125 125 GLU HA H 125 4.255 4.255 4.763 -0.508 18364 4079 1 7 . 1 1 125 125 GLU CA C 125 53.830 53.830 55.428 -1.598 18364 4080 1 7 . 1 1 125 125 GLU CB C 125 27.674 27.674 30.281 -2.607 18364 4081 1 7 . 1 1 125 125 GLU H H 125 8.359 8.359 8.520 -0.161 18364 4082 1 8 . 1 1 2 2 ALA CA C 2 50.698 50.698 51.864 -1.166 18364 4083 1 8 . 1 1 2 2 ALA CB C 2 16.688 16.688 19.632 -2.944 18364 4084 1 8 . 1 1 3 3 SER N N 3 113.663 113.663 116.168 -2.505 18364 4085 1 8 . 1 1 3 3 SER HA H 3 4.296 4.296 4.983 -0.687 18364 4086 1 8 . 1 1 3 3 SER CA C 3 55.573 55.573 57.764 -2.191 18364 4087 1 8 . 1 1 3 3 SER CB C 3 60.888 60.888 65.757 -4.869 18364 4088 1 8 . 1 1 3 3 SER H H 3 8.301 8.301 8.285 0.016 18364 4089 1 8 . 1 1 4 4 ASP N N 4 121.532 121.532 121.492 0.040 18364 4090 1 8 . 1 1 4 4 ASP HA H 4 4.394 4.394 4.616 -0.222 18364 4091 1 8 . 1 1 4 4 ASP CA C 4 51.748 51.748 54.035 -2.287 18364 4092 1 8 . 1 1 4 4 ASP CB C 4 38.614 38.614 41.253 -2.639 18364 4093 1 8 . 1 1 4 4 ASP H H 4 7.874 7.874 8.589 -0.715 18364 4094 1 8 . 1 1 5 5 PHE N N 5 119.126 119.126 121.545 -2.419 18364 4095 1 8 . 1 1 5 5 PHE HA H 5 4.535 4.535 4.813 -0.278 18364 4096 1 8 . 1 1 5 5 PHE CA C 5 54.589 54.589 57.393 -2.804 18364 4097 1 8 . 1 1 5 5 PHE CB C 5 37.079 37.079 39.577 -2.498 18364 4098 1 8 . 1 1 5 5 PHE H H 5 7.832 7.832 7.904 -0.072 18364 4099 1 8 . 1 1 6 6 GLN N N 6 122.092 122.092 125.081 -2.989 18364 4100 1 8 . 1 1 6 6 GLN HA H 6 4.417 4.417 4.731 -0.314 18364 4101 1 8 . 1 1 6 6 GLN CA C 6 53.128 53.128 55.812 -2.684 18364 4102 1 8 . 1 1 6 6 GLN CB C 6 27.477 27.477 30.571 -3.094 18364 4103 1 8 . 1 1 6 6 GLN H H 6 8.447 8.447 8.914 -0.467 18364 4104 1 8 . 1 1 7 7 THR N N 7 114.717 114.717 114.492 0.225 18364 4105 1 8 . 1 1 7 7 THR HA H 7 5.035 5.035 4.386 0.649 18364 4106 1 8 . 1 1 7 7 THR CA C 7 57.906 57.906 61.825 -3.919 18364 4107 1 8 . 1 1 7 7 THR CB C 7 68.370 68.370 69.873 -1.503 18364 4108 1 8 . 1 1 7 7 THR H H 7 8.145 8.145 8.210 -0.065 18364 4109 1 8 . 1 1 8 8 GLY N N 8 111.628 111.628 109.770 1.858 18364 4110 1 8 . 1 1 8 8 GLY CA C 8 43.774 43.774 45.233 -1.459 18364 4111 1 8 . 1 1 8 8 GLY H H 8 9.234 9.234 8.303 0.931 18364 4112 1 8 . 1 1 9 9 ILE N N 9 119.585 119.585 123.896 -4.311 18364 4113 1 8 . 1 1 9 9 ILE HA H 9 3.934 3.934 4.464 -0.530 18364 4114 1 8 . 1 1 9 9 ILE CA C 9 58.907 58.907 60.365 -1.458 18364 4115 1 8 . 1 1 9 9 ILE CB C 9 35.738 35.738 39.438 -3.700 18364 4116 1 8 . 1 1 9 9 ILE H H 9 8.603 8.603 8.112 0.491 18364 4117 1 8 . 1 1 10 10 HIS N N 10 133.616 133.616 126.127 7.489 18364 4118 1 8 . 1 1 10 10 HIS HA H 10 5.185 5.185 5.425 -0.240 18364 4119 1 8 . 1 1 10 10 HIS CA C 10 53.587 53.587 54.409 -0.822 18364 4120 1 8 . 1 1 10 10 HIS CB C 10 30.817 30.817 33.820 -3.003 18364 4121 1 8 . 1 1 10 10 HIS H H 10 8.599 8.599 8.825 -0.226 18364 4122 1 8 . 1 1 11 11 LYS N N 11 122.949 122.949 120.327 2.622 18364 4123 1 8 . 1 1 11 11 LYS HA H 11 5.236 5.236 4.964 0.272 18364 4124 1 8 . 1 1 11 11 LYS CA C 11 52.748 52.748 55.490 -2.742 18364 4125 1 8 . 1 1 11 11 LYS CB C 11 35.137 35.137 36.756 -1.619 18364 4126 1 8 . 1 1 11 11 LYS H H 11 8.775 8.775 8.880 -0.105 18364 4127 1 8 . 1 1 12 12 ILE N N 12 125.260 125.260 123.015 2.245 18364 4128 1 8 . 1 1 12 12 ILE HA H 12 5.273 5.273 4.956 0.317 18364 4129 1 8 . 1 1 12 12 ILE CA C 12 55.780 55.780 59.526 -3.745 18364 4130 1 8 . 1 1 12 12 ILE CB C 12 38.767 38.767 41.840 -3.072 18364 4131 1 8 . 1 1 12 12 ILE H H 12 8.578 8.578 8.962 -0.384 18364 4132 1 8 . 1 1 13 13 VAL N N 13 126.515 126.515 125.943 0.572 18364 4133 1 8 . 1 1 13 13 VAL HA H 13 4.795 4.795 4.899 -0.104 18364 4134 1 8 . 1 1 13 13 VAL CA C 13 58.115 58.115 61.086 -2.971 18364 4135 1 8 . 1 1 13 13 VAL CB C 13 32.948 32.948 34.894 -1.946 18364 4136 1 8 . 1 1 13 13 VAL H H 13 9.052 9.052 8.946 0.106 18364 4137 1 8 . 1 1 14 14 ILE N N 14 125.803 125.803 125.773 0.030 18364 4138 1 8 . 1 1 14 14 ILE HA H 14 5.008 5.008 5.014 -0.006 18364 4139 1 8 . 1 1 14 14 ILE CA C 14 57.539 57.539 59.911 -2.372 18364 4140 1 8 . 1 1 14 14 ILE CB C 14 38.656 38.656 42.258 -3.602 18364 4141 1 8 . 1 1 14 14 ILE H H 14 8.974 8.974 8.591 0.383 18364 4142 1 8 . 1 1 15 15 GLN N N 15 125.773 125.773 122.328 3.445 18364 4143 1 8 . 1 1 15 15 GLN HA H 15 5.433 5.433 4.820 0.613 18364 4144 1 8 . 1 1 15 15 GLN CA C 15 51.002 51.002 54.326 -3.324 18364 4145 1 8 . 1 1 15 15 GLN CB C 15 29.637 29.637 33.676 -4.039 18364 4146 1 8 . 1 1 15 15 GLN H H 15 9.244 9.244 8.951 0.293 18364 4147 1 8 . 1 1 16 16 GLN N N 16 119.832 119.832 118.600 1.232 18364 4148 1 8 . 1 1 16 16 GLN HA H 16 5.741 5.741 5.507 0.234 18364 4149 1 8 . 1 1 16 16 GLN CA C 16 50.572 50.572 54.234 -3.662 18364 4150 1 8 . 1 1 16 16 GLN CB C 16 30.039 30.039 32.507 -2.467 18364 4151 1 8 . 1 1 16 16 GLN H H 16 8.964 8.964 8.562 0.402 18364 4152 1 8 . 1 1 17 17 SER N N 17 115.201 115.201 116.096 -0.895 18364 4153 1 8 . 1 1 17 17 SER HA H 17 4.526 4.526 4.885 -0.359 18364 4154 1 8 . 1 1 17 17 SER CA C 17 54.831 54.831 56.779 -1.948 18364 4155 1 8 . 1 1 17 17 SER CB C 17 62.930 62.930 65.132 -2.201 18364 4156 1 8 . 1 1 17 17 SER H H 17 8.770 8.770 8.949 -0.179 18364 4157 1 8 . 1 1 18 18 GLY N N 18 109.321 109.321 110.124 -0.803 18364 4158 1 8 . 1 1 18 18 GLY CA C 18 41.737 41.737 44.978 -3.241 18364 4159 1 8 . 1 1 18 18 GLY H H 18 8.798 8.798 8.435 0.363 18364 4160 1 8 . 1 1 19 19 ASP N N 19 128.121 128.121 123.304 4.817 18364 4161 1 8 . 1 1 19 19 ASP HA H 19 5.071 5.071 4.727 0.344 18364 4162 1 8 . 1 1 19 19 ASP CA C 19 51.251 51.251 54.768 -3.517 18364 4163 1 8 . 1 1 19 19 ASP CB C 19 37.872 37.872 39.980 -2.108 18364 4164 1 8 . 1 1 19 19 ASP H H 19 9.708 9.708 8.472 1.236 18364 4165 1 8 . 1 1 20 20 THR N N 20 111.610 111.610 116.000 -4.390 18364 4166 1 8 . 1 1 20 20 THR HA H 20 3.615 3.615 4.277 -0.662 18364 4167 1 8 . 1 1 20 20 THR CA C 20 63.331 63.331 63.534 -0.203 18364 4168 1 8 . 1 1 20 20 THR CB C 20 64.873 64.873 68.764 -3.891 18364 4169 1 8 . 1 1 20 20 THR H H 20 8.136 8.136 7.852 0.284 18364 4170 1 8 . 1 1 21 21 ASP N N 21 118.304 118.304 120.286 -1.982 18364 4171 1 8 . 1 1 21 21 ASP HA H 21 4.639 4.639 4.537 0.102 18364 4172 1 8 . 1 1 21 21 ASP CA C 21 52.945 52.945 56.384 -3.439 18364 4173 1 8 . 1 1 21 21 ASP CB C 21 37.785 37.785 40.485 -2.700 18364 4174 1 8 . 1 1 21 21 ASP H H 21 8.566 8.566 8.667 -0.101 18364 4175 1 8 . 1 1 22 22 SER N N 22 114.253 114.253 112.669 1.584 18364 4176 1 8 . 1 1 22 22 SER HA H 22 4.384 4.384 4.665 -0.281 18364 4177 1 8 . 1 1 22 22 SER CA C 22 57.170 57.170 57.867 -0.697 18364 4178 1 8 . 1 1 22 22 SER CB C 22 61.441 61.441 65.072 -3.631 18364 4179 1 8 . 1 1 22 22 SER H H 22 8.076 8.076 8.107 -0.031 18364 4180 1 8 . 1 1 23 23 PHE N N 23 119.853 119.853 120.783 -0.930 18364 4181 1 8 . 1 1 23 23 PHE HA H 23 5.010 5.010 5.020 -0.010 18364 4182 1 8 . 1 1 23 23 PHE CA C 23 53.272 53.272 56.608 -3.336 18364 4183 1 8 . 1 1 23 23 PHE CB C 23 42.021 42.021 41.164 0.857 18364 4184 1 8 . 1 1 23 23 PHE H H 23 7.611 7.611 7.611 -0.000 18364 4185 1 8 . 1 1 24 24 GLU N N 24 119.255 119.255 125.355 -6.100 18364 4186 1 8 . 1 1 24 24 GLU HA H 24 4.571 4.571 4.434 0.137 18364 4187 1 8 . 1 1 24 24 GLU CA C 24 52.642 52.642 56.271 -3.629 18364 4188 1 8 . 1 1 24 24 GLU CB C 24 28.881 28.881 30.157 -1.276 18364 4189 1 8 . 1 1 24 24 GLU H H 24 8.958 8.958 8.364 0.594 18364 4190 1 8 . 1 1 25 25 VAL N N 25 130.637 130.637 125.741 4.896 18364 4191 1 8 . 1 1 25 25 VAL HA H 25 4.859 4.859 4.834 0.025 18364 4192 1 8 . 1 1 25 25 VAL CA C 25 58.548 58.548 60.787 -2.239 18364 4193 1 8 . 1 1 25 25 VAL CB C 25 30.439 30.439 33.090 -2.651 18364 4194 1 8 . 1 1 25 25 VAL H H 25 9.678 9.678 8.696 0.982 18364 4195 1 8 . 1 1 26 26 SER N N 26 122.555 122.555 122.141 0.414 18364 4196 1 8 . 1 1 26 26 SER HA H 26 5.289 5.289 5.651 -0.362 18364 4197 1 8 . 1 1 26 26 SER CA C 26 54.088 54.088 56.370 -2.282 18364 4198 1 8 . 1 1 26 26 SER CB C 26 62.476 62.476 65.857 -3.381 18364 4199 1 8 . 1 1 26 26 SER H H 26 8.883 8.883 8.232 0.651 18364 4200 1 8 . 1 1 27 27 VAL N N 27 113.682 113.682 115.850 -2.168 18364 4201 1 8 . 1 1 27 27 VAL HA H 27 5.269 5.269 4.755 0.514 18364 4202 1 8 . 1 1 27 27 VAL CA C 27 56.005 56.005 59.180 -3.175 18364 4203 1 8 . 1 1 27 27 VAL CB C 27 34.158 34.158 34.859 -0.701 18364 4204 1 8 . 1 1 27 27 VAL H H 27 8.493 8.493 9.186 -0.693 18364 4205 1 8 . 1 1 28 28 SER N N 28 116.852 116.852 119.404 -2.552 18364 4206 1 8 . 1 1 28 28 SER HA H 28 5.410 5.410 4.602 0.808 18364 4207 1 8 . 1 1 28 28 SER CA C 28 54.633 54.633 59.331 -4.698 18364 4208 1 8 . 1 1 28 28 SER CB C 28 62.095 62.095 63.815 -1.720 18364 4209 1 8 . 1 1 28 28 SER H H 28 8.709 8.709 8.516 0.193 18364 4210 1 8 . 1 1 29 29 ILE N N 29 128.765 128.765 125.579 3.186 18364 4211 1 8 . 1 1 29 29 ILE HA H 29 5.224 5.224 4.608 0.616 18364 4212 1 8 . 1 1 29 29 ILE CA C 29 57.247 57.247 60.123 -2.876 18364 4213 1 8 . 1 1 29 29 ILE CB C 29 39.144 39.144 40.897 -1.753 18364 4214 1 8 . 1 1 29 29 ILE H H 29 9.631 9.631 8.690 0.941 18364 4215 1 8 . 1 1 30 30 GLY N N 30 112.478 112.478 112.771 -0.293 18364 4216 1 8 . 1 1 30 30 GLY CA C 30 42.140 42.140 45.384 -3.244 18364 4217 1 8 . 1 1 30 30 GLY H H 30 8.095 8.095 7.850 0.245 18364 4218 1 8 . 1 1 31 31 GLY N N 31 108.502 108.502 104.758 3.744 18364 4219 1 8 . 1 1 31 31 GLY CA C 31 43.201 43.201 45.167 -1.966 18364 4220 1 8 . 1 1 31 31 GLY H H 31 9.755 9.755 7.869 1.886 18364 4221 1 8 . 1 1 32 32 ALA N N 32 122.020 122.020 120.548 1.472 18364 4222 1 8 . 1 1 32 32 ALA HA H 32 4.967 4.967 5.378 -0.411 18364 4223 1 8 . 1 1 32 32 ALA CA C 32 48.540 48.540 49.968 -1.428 18364 4224 1 8 . 1 1 32 32 ALA CB C 32 21.078 21.078 22.956 -1.879 18364 4225 1 8 . 1 1 32 32 ALA H H 32 7.338 7.338 7.483 -0.145 18364 4226 1 8 . 1 1 33 33 ASP N N 33 121.217 121.217 119.203 2.014 18364 4227 1 8 . 1 1 33 33 ASP HA H 33 3.680 3.680 4.656 -0.976 18364 4228 1 8 . 1 1 33 33 ASP CA C 33 49.520 49.520 52.318 -2.798 18364 4229 1 8 . 1 1 33 33 ASP CB C 33 40.840 40.840 43.727 -2.887 18364 4230 1 8 . 1 1 33 33 ASP H H 33 8.945 8.945 8.770 0.175 18364 4231 1 8 . 1 1 34 34 LYS N N 34 117.693 117.693 119.597 -1.904 18364 4232 1 8 . 1 1 34 34 LYS HA H 34 4.017 4.017 4.365 -0.348 18364 4233 1 8 . 1 1 34 34 LYS CA C 34 56.700 56.700 56.517 0.183 18364 4234 1 8 . 1 1 34 34 LYS CB C 34 29.772 29.772 30.999 -1.227 18364 4235 1 8 . 1 1 34 34 LYS H H 34 8.200 8.200 8.212 -0.012 18364 4236 1 8 . 1 1 35 35 GLY N N 35 106.697 106.697 109.997 -3.300 18364 4237 1 8 . 1 1 35 35 GLY CA C 35 42.719 42.719 44.795 -2.076 18364 4238 1 8 . 1 1 35 35 GLY H H 35 8.653 8.653 8.305 0.348 18364 4239 1 8 . 1 1 36 36 GLY N N 36 110.824 110.824 109.264 1.560 18364 4240 1 8 . 1 1 36 36 GLY CA C 36 41.099 41.099 45.356 -4.258 18364 4241 1 8 . 1 1 36 36 GLY H H 36 7.601 7.601 8.598 -0.997 18364 4242 1 8 . 1 1 37 37 PRO HA H 37 4.571 4.571 4.831 -0.260 18364 4243 1 8 . 1 1 37 37 PRO CA C 37 60.012 60.012 61.996 -1.984 18364 4244 1 8 . 1 1 37 37 PRO CB C 37 29.470 29.470 32.859 -3.389 18364 4245 1 8 . 1 1 38 38 ALA N N 38 127.841 127.841 127.106 0.735 18364 4246 1 8 . 1 1 38 38 ALA HA H 38 4.127 4.127 4.326 -0.199 18364 4247 1 8 . 1 1 38 38 ALA CA C 38 48.117 48.117 50.885 -2.768 18364 4248 1 8 . 1 1 38 38 ALA CB C 38 16.655 16.655 19.825 -3.170 18364 4249 1 8 . 1 1 38 38 ALA H H 38 7.486 7.486 8.238 -0.752 18364 4250 1 8 . 1 1 39 39 LYS N N 39 121.148 121.148 125.702 -4.554 18364 4251 1 8 . 1 1 39 39 LYS HA H 39 4.115 4.115 4.375 -0.260 18364 4252 1 8 . 1 1 39 39 LYS CA C 39 55.674 55.674 56.429 -0.755 18364 4253 1 8 . 1 1 39 39 LYS CB C 39 31.223 31.223 31.837 -0.614 18364 4254 1 8 . 1 1 39 39 LYS H H 39 8.042 8.042 8.610 -0.568 18364 4255 1 8 . 1 1 40 40 LEU N N 40 118.817 118.817 124.078 -5.261 18364 4256 1 8 . 1 1 40 40 LEU HA H 40 5.122 5.122 5.175 -0.053 18364 4257 1 8 . 1 1 40 40 LEU CA C 40 50.156 50.156 53.121 -2.965 18364 4258 1 8 . 1 1 40 40 LEU CB C 40 42.172 42.172 42.560 -0.388 18364 4259 1 8 . 1 1 40 40 LEU H H 40 7.901 7.901 8.613 -0.712 18364 4260 1 8 . 1 1 41 41 TYR N N 41 117.843 117.843 118.298 -0.455 18364 4261 1 8 . 1 1 41 41 TYR HA H 41 5.303 5.303 5.057 0.246 18364 4262 1 8 . 1 1 41 41 TYR CA C 41 53.394 53.394 56.725 -3.331 18364 4263 1 8 . 1 1 41 41 TYR CB C 41 39.419 39.419 41.796 -2.377 18364 4264 1 8 . 1 1 41 41 TYR H H 41 9.109 9.109 9.233 -0.124 18364 4265 1 8 . 1 1 42 42 ASN N N 42 117.689 117.689 119.037 -1.348 18364 4266 1 8 . 1 1 42 42 ASN HA H 42 4.984 4.984 4.864 0.120 18364 4267 1 8 . 1 1 42 42 ASN CA C 42 48.001 48.001 52.240 -4.239 18364 4268 1 8 . 1 1 42 42 ASN CB C 42 36.514 36.514 39.825 -3.311 18364 4269 1 8 . 1 1 42 42 ASN H H 42 8.239 8.239 8.992 -0.753 18364 4270 1 8 . 1 1 43 43 ASP N N 43 116.760 116.760 119.118 -2.358 18364 4271 1 8 . 1 1 43 43 ASP HA H 43 4.170 4.170 4.671 -0.501 18364 4272 1 8 . 1 1 43 43 ASP CA C 43 53.123 53.123 54.646 -1.523 18364 4273 1 8 . 1 1 43 43 ASP CB C 43 37.355 37.355 39.817 -2.462 18364 4274 1 8 . 1 1 43 43 ASP H H 43 8.650 8.650 8.862 -0.212 18364 4275 1 8 . 1 1 44 44 LYS N N 44 118.108 118.108 117.711 0.397 18364 4276 1 8 . 1 1 44 44 LYS HA H 44 4.359 4.359 4.435 -0.076 18364 4277 1 8 . 1 1 44 44 LYS CA C 44 52.676 52.676 56.049 -3.373 18364 4278 1 8 . 1 1 44 44 LYS CB C 44 30.170 30.170 32.973 -2.803 18364 4279 1 8 . 1 1 44 44 LYS H H 44 7.505 7.505 7.860 -0.355 18364 4280 1 8 . 1 1 45 45 GLY N N 45 108.163 108.163 107.443 0.720 18364 4281 1 8 . 1 1 45 45 GLY CA C 45 42.988 42.988 45.241 -2.253 18364 4282 1 8 . 1 1 45 45 GLY H H 45 8.117 8.117 8.297 -0.180 18364 4283 1 8 . 1 1 46 46 GLU N N 46 120.173 120.173 119.736 0.437 18364 4284 1 8 . 1 1 46 46 GLU HA H 46 4.345 4.345 4.906 -0.561 18364 4285 1 8 . 1 1 46 46 GLU CA C 46 52.409 52.409 54.461 -2.052 18364 4286 1 8 . 1 1 46 46 GLU CB C 46 27.408 27.408 32.486 -5.078 18364 4287 1 8 . 1 1 46 46 GLU H H 46 7.884 7.884 8.071 -0.187 18364 4288 1 8 . 1 1 47 47 TYR N N 47 123.803 123.803 119.757 4.046 18364 4289 1 8 . 1 1 47 47 TYR HA H 47 4.351 4.351 3.983 0.368 18364 4290 1 8 . 1 1 47 47 TYR CA C 47 54.317 54.317 57.965 -3.648 18364 4291 1 8 . 1 1 47 47 TYR CB C 47 35.858 35.858 38.967 -3.109 18364 4292 1 8 . 1 1 47 47 TYR H H 47 8.710 8.710 8.690 0.020 18364 4293 1 8 . 1 1 48 48 ILE N N 48 123.458 123.458 116.273 7.185 18364 4294 1 8 . 1 1 48 48 ILE HA H 48 4.173 4.173 4.323 -0.150 18364 4295 1 8 . 1 1 48 48 ILE CA C 48 58.314 58.314 60.673 -2.359 18364 4296 1 8 . 1 1 48 48 ILE CB C 48 36.129 36.129 39.069 -2.940 18364 4297 1 8 . 1 1 48 48 ILE H H 48 8.416 8.416 8.348 0.068 18364 4298 1 8 . 1 1 49 49 GLY N N 49 107.257 107.257 110.201 -2.944 18364 4299 1 8 . 1 1 49 49 GLY CA C 49 41.367 41.367 45.373 -4.005 18364 4300 1 8 . 1 1 49 49 GLY H H 49 5.472 5.472 7.687 -2.215 18364 4301 1 8 . 1 1 50 50 ASP N N 50 116.887 116.887 116.773 0.114 18364 4302 1 8 . 1 1 50 50 ASP HA H 50 5.043 5.043 5.110 -0.067 18364 4303 1 8 . 1 1 50 50 ASP CA C 50 50.588 50.588 53.439 -2.851 18364 4304 1 8 . 1 1 50 50 ASP CB C 50 37.448 37.448 42.538 -5.090 18364 4305 1 8 . 1 1 50 50 ASP H H 50 8.234 8.234 8.590 -0.356 18364 4306 1 8 . 1 1 51 51 SER N N 51 112.664 112.664 113.399 -0.735 18364 4307 1 8 . 1 1 51 51 SER HA H 51 4.439 4.439 4.777 -0.338 18364 4308 1 8 . 1 1 51 51 SER CA C 51 55.489 55.489 58.455 -2.966 18364 4309 1 8 . 1 1 51 51 SER CB C 51 61.559 61.559 64.485 -2.926 18364 4310 1 8 . 1 1 51 51 SER H H 51 7.689 7.689 7.550 0.139 18364 4311 1 8 . 1 1 52 52 TYR N N 52 122.672 122.672 122.015 0.657 18364 4312 1 8 . 1 1 52 52 TYR HA H 52 4.732 4.732 4.894 -0.162 18364 4313 1 8 . 1 1 52 52 TYR CA C 52 55.168 55.168 57.257 -2.089 18364 4314 1 8 . 1 1 52 52 TYR CB C 52 38.599 38.599 38.855 -0.256 18364 4315 1 8 . 1 1 52 52 TYR H H 52 8.231 8.231 8.696 -0.465 18364 4316 1 8 . 1 1 53 53 SER N N 53 123.803 123.803 116.309 7.494 18364 4317 1 8 . 1 1 53 53 SER HA H 53 5.429 5.429 5.633 -0.204 18364 4318 1 8 . 1 1 53 53 SER CA C 53 53.508 53.508 56.479 -2.971 18364 4319 1 8 . 1 1 53 53 SER CB C 53 61.674 61.674 66.238 -4.564 18364 4320 1 8 . 1 1 53 53 SER H H 53 8.008 8.008 8.662 -0.654 18364 4321 1 8 . 1 1 54 54 ALA N N 54 125.516 125.516 122.812 2.704 18364 4322 1 8 . 1 1 54 54 ALA HA H 54 4.289 4.289 4.748 -0.459 18364 4323 1 8 . 1 1 54 54 ALA CA C 54 49.097 49.097 51.014 -1.917 18364 4324 1 8 . 1 1 54 54 ALA CB C 54 20.259 20.259 21.837 -1.579 18364 4325 1 8 . 1 1 54 54 ALA H H 54 8.089 8.089 9.000 -0.911 18364 4326 1 8 . 1 1 55 55 GLN N N 55 118.838 118.838 123.550 -4.712 18364 4327 1 8 . 1 1 55 55 GLN HA H 55 4.975 4.975 5.078 -0.103 18364 4328 1 8 . 1 1 55 55 GLN CA C 55 52.306 52.306 54.071 -1.765 18364 4329 1 8 . 1 1 55 55 GLN CB C 55 26.138 26.138 30.694 -4.556 18364 4330 1 8 . 1 1 55 55 GLN H H 55 8.100 8.100 8.641 -0.541 18364 4331 1 8 . 1 1 56 56 ILE N N 56 124.748 124.748 128.154 -3.406 18364 4332 1 8 . 1 1 56 56 ILE HA H 56 4.246 4.246 4.070 0.176 18364 4333 1 8 . 1 1 56 56 ILE CA C 56 57.529 57.529 60.997 -3.468 18364 4334 1 8 . 1 1 56 56 ILE CB C 56 34.915 34.915 35.481 -0.566 18364 4335 1 8 . 1 1 56 56 ILE H H 56 8.910 8.910 8.952 -0.042 18364 4336 1 8 . 1 1 57 57 ARG N N 57 127.183 127.183 125.240 1.943 18364 4337 1 8 . 1 1 57 57 ARG HA H 57 4.777 4.777 4.663 0.114 18364 4338 1 8 . 1 1 57 57 ARG CA C 57 52.455 52.455 54.817 -2.362 18364 4339 1 8 . 1 1 57 57 ARG CB C 57 28.839 28.839 31.195 -2.356 18364 4340 1 8 . 1 1 57 57 ARG H H 57 8.979 8.979 8.123 0.856 18364 4341 1 8 . 1 1 58 58 THR N N 58 109.995 109.995 111.887 -1.892 18364 4342 1 8 . 1 1 58 58 THR HA H 58 4.529 4.529 4.667 -0.138 18364 4343 1 8 . 1 1 58 58 THR CA C 58 57.124 57.124 60.238 -3.114 18364 4344 1 8 . 1 1 58 58 THR CB C 58 68.143 68.143 71.610 -3.467 18364 4345 1 8 . 1 1 58 58 THR H H 58 7.150 7.150 7.433 -0.283 18364 4346 1 8 . 1 1 59 59 ALA N N 59 123.143 123.143 122.246 0.897 18364 4347 1 8 . 1 1 59 59 ALA HA H 59 4.167 4.167 4.456 -0.289 18364 4348 1 8 . 1 1 59 59 ALA CA C 59 52.603 52.603 52.355 0.248 18364 4349 1 8 . 1 1 59 59 ALA CB C 59 16.910 16.910 19.032 -2.122 18364 4350 1 8 . 1 1 59 59 ALA H H 59 8.531 8.531 8.463 0.068 18364 4351 1 8 . 1 1 60 60 THR N N 60 105.988 105.988 111.218 -5.230 18364 4352 1 8 . 1 1 60 60 THR HA H 60 5.471 5.471 4.541 0.930 18364 4353 1 8 . 1 1 60 60 THR CA C 60 56.904 56.904 62.266 -5.362 18364 4354 1 8 . 1 1 60 60 THR CB C 60 69.111 69.111 69.999 -0.888 18364 4355 1 8 . 1 1 60 60 THR H H 60 7.521 7.521 7.410 0.111 18364 4356 1 8 . 1 1 61 61 MET N N 61 124.706 124.706 121.293 3.413 18364 4357 1 8 . 1 1 61 61 MET HA H 61 4.641 4.641 4.913 -0.272 18364 4358 1 8 . 1 1 61 61 MET CA C 61 52.883 52.883 53.533 -0.650 18364 4359 1 8 . 1 1 61 61 MET CB C 61 32.345 32.345 37.097 -4.752 18364 4360 1 8 . 1 1 61 61 MET H H 61 8.758 8.758 9.007 -0.249 18364 4361 1 8 . 1 1 62 62 SER N N 62 117.004 117.004 114.863 2.141 18364 4362 1 8 . 1 1 62 62 SER HA H 62 5.551 5.551 5.493 0.058 18364 4363 1 8 . 1 1 62 62 SER CA C 62 54.255 54.255 57.902 -3.647 18364 4364 1 8 . 1 1 62 62 SER CB C 62 64.130 64.130 66.185 -2.055 18364 4365 1 8 . 1 1 62 62 SER H H 62 8.164 8.164 8.496 -0.333 18364 4366 1 8 . 1 1 63 63 CYS N N 63 120.270 120.270 117.697 2.573 18364 4367 1 8 . 1 1 63 63 CYS HA H 63 5.075 5.075 5.403 -0.328 18364 4368 1 8 . 1 1 63 63 CYS CA C 63 54.676 54.676 57.822 -3.146 18364 4369 1 8 . 1 1 63 63 CYS CB C 63 28.679 28.679 32.671 -3.992 18364 4370 1 8 . 1 1 63 63 CYS H H 63 8.537 8.537 8.483 0.054 18364 4371 1 8 . 1 1 64 64 CYS N N 64 120.868 120.868 117.080 3.788 18364 4372 1 8 . 1 1 64 64 CYS HA H 64 5.918 5.918 5.490 0.428 18364 4373 1 8 . 1 1 64 64 CYS CA C 64 53.204 53.204 56.163 -2.959 18364 4374 1 8 . 1 1 64 64 CYS CB C 64 30.216 30.216 31.993 -1.777 18364 4375 1 8 . 1 1 64 64 CYS H H 64 9.307 9.307 8.924 0.383 18364 4376 1 8 . 1 1 65 65 THR N N 65 109.830 109.830 113.854 -4.024 18364 4377 1 8 . 1 1 65 65 THR HA H 65 5.426 5.426 5.306 0.120 18364 4378 1 8 . 1 1 65 65 THR CA C 65 58.465 58.465 60.154 -1.689 18364 4379 1 8 . 1 1 65 65 THR CB C 65 69.665 69.665 71.533 -1.868 18364 4380 1 8 . 1 1 65 65 THR H H 65 8.447 8.447 8.208 0.239 18364 4381 1 8 . 1 1 66 66 ASN N N 66 114.459 114.459 120.656 -6.197 18364 4382 1 8 . 1 1 66 66 ASN HA H 66 4.656 4.656 4.692 -0.036 18364 4383 1 8 . 1 1 66 66 ASN CA C 66 49.879 49.879 52.329 -2.450 18364 4384 1 8 . 1 1 66 66 ASN CB C 66 36.267 36.267 39.282 -3.015 18364 4385 1 8 . 1 1 66 66 ASN H H 66 9.300 9.300 8.316 0.984 18364 4386 1 8 . 1 1 67 67 GLY N N 67 103.647 103.647 105.247 -1.600 18364 4387 1 8 . 1 1 67 67 GLY CA C 67 43.796 43.796 45.219 -1.423 18364 4388 1 8 . 1 1 67 67 GLY H H 67 8.237 8.237 8.524 -0.287 18364 4389 1 8 . 1 1 69 69 ALA N N 69 121.911 121.911 122.321 -0.410 18364 4390 1 8 . 1 1 69 69 ALA HA H 69 4.244 4.244 4.691 -0.447 18364 4391 1 8 . 1 1 69 69 ALA CA C 69 49.758 49.758 51.434 -1.676 18364 4392 1 8 . 1 1 69 69 ALA CB C 69 17.376 17.376 21.700 -4.324 18364 4393 1 8 . 1 1 69 69 ALA H H 69 7.677 7.677 7.472 0.205 18364 4394 1 8 . 1 1 70 70 PHE N N 70 114.118 114.118 115.256 -1.138 18364 4395 1 8 . 1 1 70 70 PHE HA H 70 4.965 4.965 4.942 0.023 18364 4396 1 8 . 1 1 70 70 PHE CA C 70 53.129 53.129 57.465 -4.336 18364 4397 1 8 . 1 1 70 70 PHE CB C 70 37.917 37.917 42.927 -5.010 18364 4398 1 8 . 1 1 70 70 PHE H H 70 8.549 8.549 8.484 0.065 18364 4399 1 8 . 1 1 71 71 PHE N N 71 110.252 110.252 114.858 -4.606 18364 4400 1 8 . 1 1 71 71 PHE HA H 71 4.247 4.247 4.898 -0.651 18364 4401 1 8 . 1 1 71 71 PHE CA C 71 54.475 54.475 56.104 -1.629 18364 4402 1 8 . 1 1 71 71 PHE CB C 71 38.123 38.123 41.486 -3.363 18364 4403 1 8 . 1 1 71 71 PHE H H 71 6.617 6.617 7.192 -0.575 18364 4404 1 8 . 1 1 72 72 MET N N 72 118.637 118.637 119.194 -0.557 18364 4405 1 8 . 1 1 72 72 MET HA H 72 4.800 4.800 4.978 -0.178 18364 4406 1 8 . 1 1 72 72 MET CA C 72 53.108 53.108 54.197 -1.089 18364 4407 1 8 . 1 1 72 72 MET CB C 72 35.826 35.826 37.183 -1.357 18364 4408 1 8 . 1 1 72 72 MET H H 72 8.162 8.162 8.675 -0.513 18364 4409 1 8 . 1 1 73 73 THR N N 73 117.278 117.278 117.205 0.073 18364 4410 1 8 . 1 1 73 73 THR HA H 73 5.018 5.018 4.879 0.139 18364 4411 1 8 . 1 1 73 73 THR CA C 73 58.316 58.316 61.121 -2.805 18364 4412 1 8 . 1 1 73 73 THR CB C 73 69.118 69.118 71.367 -2.249 18364 4413 1 8 . 1 1 73 73 THR H H 73 9.220 9.220 8.724 0.496 18364 4414 1 8 . 1 1 74 74 CYS N N 74 124.101 124.101 125.910 -1.809 18364 4415 1 8 . 1 1 74 74 CYS HA H 74 5.076 5.076 5.308 -0.232 18364 4416 1 8 . 1 1 74 74 CYS CA C 74 54.219 54.219 57.112 -2.893 18364 4417 1 8 . 1 1 74 74 CYS CB C 74 27.012 27.012 27.375 -0.363 18364 4418 1 8 . 1 1 74 74 CYS H H 74 8.958 8.958 8.927 0.031 18364 4419 1 8 . 1 1 75 75 ALA N N 75 132.901 132.901 124.053 8.848 18364 4420 1 8 . 1 1 75 75 ALA HA H 75 4.975 4.975 4.745 0.230 18364 4421 1 8 . 1 1 75 75 ALA CA C 75 47.826 47.826 52.441 -4.615 18364 4422 1 8 . 1 1 75 75 ALA CB C 75 18.111 18.111 19.774 -1.663 18364 4423 1 8 . 1 1 75 75 ALA H H 75 8.834 8.834 7.529 1.305 18364 4424 1 8 . 1 1 76 76 GLY N N 76 110.691 110.691 108.811 1.880 18364 4425 1 8 . 1 1 76 76 GLY CA C 76 41.784 41.784 45.043 -3.259 18364 4426 1 8 . 1 1 76 76 GLY H H 76 8.265 8.265 8.148 0.117 18364 4427 1 8 . 1 1 77 77 SER N N 77 115.145 115.145 113.764 1.381 18364 4428 1 8 . 1 1 77 77 SER HA H 77 4.980 4.980 5.183 -0.203 18364 4429 1 8 . 1 1 77 77 SER CA C 77 54.022 54.022 56.309 -2.287 18364 4430 1 8 . 1 1 77 77 SER CB C 77 62.987 62.987 67.175 -4.188 18364 4431 1 8 . 1 1 77 77 SER H H 77 8.723 8.723 8.811 -0.088 18364 4432 1 8 . 1 1 78 78 VAL N N 78 124.775 124.775 118.404 6.371 18364 4433 1 8 . 1 1 78 78 VAL HA H 78 4.634 4.634 5.215 -0.581 18364 4434 1 8 . 1 1 78 78 VAL CA C 78 58.437 58.437 59.776 -1.339 18364 4435 1 8 . 1 1 78 78 VAL CB C 78 32.177 32.177 35.208 -3.031 18364 4436 1 8 . 1 1 78 78 VAL H H 78 8.963 8.963 8.762 0.201 18364 4437 1 8 . 1 1 79 79 SER N N 79 118.951 118.951 120.539 -1.588 18364 4438 1 8 . 1 1 79 79 SER HA H 79 5.619 5.619 5.178 0.441 18364 4439 1 8 . 1 1 79 79 SER CA C 79 53.011 53.011 56.914 -3.903 18364 4440 1 8 . 1 1 79 79 SER CB C 79 64.197 64.197 65.655 -1.458 18364 4441 1 8 . 1 1 79 79 SER H H 79 8.661 8.661 9.017 -0.356 18364 4442 1 8 . 1 1 80 80 SER N N 80 114.750 114.750 116.151 -1.401 18364 4443 1 8 . 1 1 80 80 SER HA H 80 4.439 4.439 4.732 -0.293 18364 4444 1 8 . 1 1 80 80 SER CA C 80 56.198 56.198 56.773 -0.575 18364 4445 1 8 . 1 1 80 80 SER CB C 80 63.490 63.490 64.891 -1.401 18364 4446 1 8 . 1 1 80 80 SER H H 80 8.563 8.563 8.618 -0.055 18364 4447 1 8 . 1 1 81 81 ILE N N 81 120.003 120.003 117.554 2.449 18364 4448 1 8 . 1 1 81 81 ILE HA H 81 4.576 4.576 4.528 0.048 18364 4449 1 8 . 1 1 81 81 ILE CA C 81 57.951 57.951 59.209 -1.258 18364 4450 1 8 . 1 1 81 81 ILE CB C 81 36.011 36.011 36.579 -0.568 18364 4451 1 8 . 1 1 81 81 ILE H H 81 8.366 8.366 8.688 -0.322 18364 4452 1 8 . 1 1 82 82 SER N N 82 119.139 119.139 118.936 0.203 18364 4453 1 8 . 1 1 82 82 SER HA H 82 4.158 4.158 4.438 -0.280 18364 4454 1 8 . 1 1 82 82 SER CA C 82 56.910 56.910 57.921 -1.011 18364 4455 1 8 . 1 1 82 82 SER CB C 82 62.055 62.055 63.712 -1.657 18364 4456 1 8 . 1 1 82 82 SER H H 82 8.204 8.204 7.762 0.442 18364 4457 1 8 . 1 1 83 83 GLU N N 83 118.350 118.350 119.083 -0.733 18364 4458 1 8 . 1 1 83 83 GLU HA H 83 4.133 4.133 4.295 -0.162 18364 4459 1 8 . 1 1 83 83 GLU CA C 83 53.267 53.267 55.569 -2.302 18364 4460 1 8 . 1 1 83 83 GLU CB C 83 27.763 27.763 29.977 -2.214 18364 4461 1 8 . 1 1 83 83 GLU H H 83 8.381 8.381 8.331 0.050 18364 4462 1 8 . 1 1 84 84 ALA N N 84 121.665 121.665 121.898 -0.233 18364 4463 1 8 . 1 1 84 84 ALA HA H 84 3.542 3.542 4.130 -0.588 18364 4464 1 8 . 1 1 84 84 ALA CA C 84 50.621 50.621 53.274 -2.653 18364 4465 1 8 . 1 1 84 84 ALA CB C 84 16.540 16.540 18.908 -2.368 18364 4466 1 8 . 1 1 84 84 ALA H H 84 8.482 8.482 8.264 0.218 18364 4467 1 8 . 1 1 85 85 GLY N N 85 108.356 108.356 108.696 -0.340 18364 4468 1 8 . 1 1 85 85 GLY CA C 85 42.955 42.955 45.173 -2.218 18364 4469 1 8 . 1 1 85 85 GLY H H 85 8.078 8.078 8.773 -0.695 18364 4470 1 8 . 1 1 86 86 LYS N N 86 121.491 121.491 123.009 -1.518 18364 4471 1 8 . 1 1 86 86 LYS HA H 86 4.638 4.638 4.451 0.187 18364 4472 1 8 . 1 1 86 86 LYS CA C 86 51.073 51.073 56.416 -5.343 18364 4473 1 8 . 1 1 86 86 LYS CB C 86 29.750 29.750 31.830 -2.080 18364 4474 1 8 . 1 1 86 86 LYS H H 86 8.225 8.225 7.884 0.341 18364 4475 1 8 . 1 1 87 87 ARG N N 87 121.874 121.874 123.222 -1.348 18364 4476 1 8 . 1 1 87 87 ARG HA H 87 5.673 5.673 5.226 0.447 18364 4477 1 8 . 1 1 87 87 ARG CA C 87 52.139 52.139 54.620 -2.481 18364 4478 1 8 . 1 1 87 87 ARG CB C 87 32.163 32.163 33.546 -1.383 18364 4479 1 8 . 1 1 87 87 ARG H H 87 9.979 9.979 9.265 0.714 18364 4480 1 8 . 1 1 88 88 LEU N N 88 125.264 125.264 119.242 6.022 18364 4481 1 8 . 1 1 88 88 LEU HA H 88 4.562 4.562 5.010 -0.448 18364 4482 1 8 . 1 1 88 88 LEU CA C 88 50.284 50.284 54.727 -4.443 18364 4483 1 8 . 1 1 88 88 LEU CB C 88 42.309 42.309 46.511 -4.202 18364 4484 1 8 . 1 1 88 88 LEU H H 88 8.756 8.756 8.189 0.567 18364 4485 1 8 . 1 1 89 89 HIS N N 89 125.453 125.453 123.587 1.866 18364 4486 1 8 . 1 1 89 89 HIS HA H 89 5.188 5.188 5.263 -0.075 18364 4487 1 8 . 1 1 89 89 HIS CA C 89 51.389 51.389 55.090 -3.701 18364 4488 1 8 . 1 1 89 89 HIS CB C 89 27.731 27.731 33.758 -6.027 18364 4489 1 8 . 1 1 89 89 HIS H H 89 8.910 8.910 8.864 0.046 18364 4490 1 8 . 1 1 90 90 ILE N N 90 126.486 126.486 127.129 -0.643 18364 4491 1 8 . 1 1 90 90 ILE HA H 90 5.020 5.020 4.824 0.196 18364 4492 1 8 . 1 1 90 90 ILE CA C 90 55.642 55.642 59.408 -3.766 18364 4493 1 8 . 1 1 90 90 ILE CB C 90 38.696 38.696 41.469 -2.773 18364 4494 1 8 . 1 1 90 90 ILE H H 90 8.689 8.689 8.570 0.119 18364 4495 1 8 . 1 1 91 91 THR N N 91 123.200 123.200 123.040 0.160 18364 4496 1 8 . 1 1 91 91 THR HA H 91 5.017 5.017 4.747 0.270 18364 4497 1 8 . 1 1 91 91 THR CA C 91 58.555 58.555 61.139 -2.584 18364 4498 1 8 . 1 1 91 91 THR CB C 91 68.702 68.702 70.713 -2.011 18364 4499 1 8 . 1 1 91 91 THR H H 91 8.636 8.636 8.813 -0.177 18364 4500 1 8 . 1 1 92 92 VAL N N 92 127.071 127.071 122.466 4.605 18364 4501 1 8 . 1 1 92 92 VAL HA H 92 5.018 5.018 4.731 0.287 18364 4502 1 8 . 1 1 92 92 VAL CA C 92 57.969 57.969 60.339 -2.370 18364 4503 1 8 . 1 1 92 92 VAL CB C 92 31.323 31.323 32.953 -1.630 18364 4504 1 8 . 1 1 92 92 VAL H H 92 9.162 9.162 8.493 0.669 18364 4505 1 8 . 1 1 93 93 ILE N N 93 127.095 127.095 125.047 2.048 18364 4506 1 8 . 1 1 93 93 ILE HA H 93 4.461 4.461 5.063 -0.602 18364 4507 1 8 . 1 1 93 93 ILE CA C 93 57.972 57.972 59.798 -1.826 18364 4508 1 8 . 1 1 93 93 ILE CB C 93 38.929 38.929 41.971 -3.042 18364 4509 1 8 . 1 1 93 93 ILE H H 93 9.313 9.313 8.676 0.637 18364 4510 1 8 . 1 1 94 94 GLY N N 94 111.893 111.893 111.468 0.425 18364 4511 1 8 . 1 1 94 94 GLY CA C 94 41.781 41.781 44.071 -2.290 18364 4512 1 8 . 1 1 94 94 GLY H H 94 8.577 8.577 8.596 -0.019 18364 4513 1 8 . 1 1 95 95 TYR N N 95 123.099 123.099 120.825 2.274 18364 4514 1 8 . 1 1 95 95 TYR HA H 95 5.399 5.399 5.518 -0.119 18364 4515 1 8 . 1 1 95 95 TYR CA C 95 54.052 54.052 56.623 -2.571 18364 4516 1 8 . 1 1 95 95 TYR CB C 95 41.285 41.285 43.516 -2.231 18364 4517 1 8 . 1 1 95 95 TYR H H 95 9.640 9.640 9.336 0.304 18364 4518 1 8 . 1 1 96 96 ILE N N 96 116.705 116.705 119.219 -2.514 18364 4519 1 8 . 1 1 96 96 ILE HA H 96 4.208 4.208 4.641 -0.433 18364 4520 1 8 . 1 1 96 96 ILE CA C 96 58.977 58.977 60.196 -1.218 18364 4521 1 8 . 1 1 96 96 ILE CB C 96 37.245 37.245 41.322 -4.077 18364 4522 1 8 . 1 1 96 96 ILE H H 96 8.270 8.270 8.911 -0.641 18364 4523 1 8 . 1 1 97 97 ASP N N 97 130.442 130.442 127.483 2.959 18364 4524 1 8 . 1 1 97 97 ASP HA H 97 4.165 4.165 4.131 0.034 18364 4525 1 8 . 1 1 97 97 ASP CA C 97 53.736 53.736 57.059 -3.323 18364 4526 1 8 . 1 1 97 97 ASP CB C 97 36.870 36.870 40.439 -3.569 18364 4527 1 8 . 1 1 97 97 ASP H H 97 9.849 9.849 9.058 0.791 18364 4528 1 8 . 1 1 98 98 ASP N N 98 114.957 114.957 120.517 -5.560 18364 4529 1 8 . 1 1 98 98 ASP HA H 98 4.694 4.694 4.809 -0.115 18364 4530 1 8 . 1 1 98 98 ASP CB C 98 36.266 36.266 42.075 -5.809 18364 4531 1 8 . 1 1 98 98 ASP H H 98 8.355 8.355 8.045 0.310 18364 4532 1 8 . 1 1 99 99 LYS N N 99 121.680 121.680 119.889 1.791 18364 4533 1 8 . 1 1 99 99 LYS HA H 99 4.590 4.590 4.712 -0.122 18364 4534 1 8 . 1 1 99 99 LYS CA C 99 52.354 52.354 55.319 -2.965 18364 4535 1 8 . 1 1 99 99 LYS CB C 99 30.958 30.958 36.834 -5.875 18364 4536 1 8 . 1 1 99 99 LYS H H 99 8.049 8.049 8.302 -0.253 18364 4537 1 8 . 1 1 100 100 GLU N N 100 127.574 127.574 122.672 4.902 18364 4538 1 8 . 1 1 100 100 GLU HA H 100 3.804 3.804 4.102 -0.298 18364 4539 1 8 . 1 1 100 100 GLU CA C 100 54.562 54.562 56.492 -1.930 18364 4540 1 8 . 1 1 100 100 GLU CB C 100 26.808 26.808 30.048 -3.240 18364 4541 1 8 . 1 1 100 100 GLU H H 100 8.839 8.839 8.499 0.340 18364 4542 1 8 . 1 1 101 101 VAL N N 101 120.606 120.606 115.068 5.538 18364 4543 1 8 . 1 1 101 101 VAL HA H 101 4.534 4.534 4.420 0.114 18364 4544 1 8 . 1 1 101 101 VAL CA C 101 58.379 58.379 61.663 -3.284 18364 4545 1 8 . 1 1 101 101 VAL CB C 101 31.223 31.223 33.284 -2.061 18364 4546 1 8 . 1 1 101 101 VAL H H 101 8.997 8.997 8.480 0.517 18364 4547 1 8 . 1 1 102 102 ASN N N 102 118.568 118.568 120.164 -1.596 18364 4548 1 8 . 1 1 102 102 ASN HA H 102 4.782 4.782 4.833 -0.051 18364 4549 1 8 . 1 1 102 102 ASN CA C 102 50.154 50.154 53.339 -3.185 18364 4550 1 8 . 1 1 102 102 ASN CB C 102 38.848 38.848 40.860 -2.012 18364 4551 1 8 . 1 1 102 102 ASN H H 102 7.598 7.598 7.554 0.044 18364 4552 1 8 . 1 1 103 103 ARG N N 103 120.366 120.366 124.257 -3.891 18364 4553 1 8 . 1 1 103 103 ARG HA H 103 5.051 5.051 5.393 -0.342 18364 4554 1 8 . 1 1 103 103 ARG CA C 103 52.900 52.900 55.403 -2.503 18364 4555 1 8 . 1 1 103 103 ARG CB C 103 31.710 31.710 32.672 -0.963 18364 4556 1 8 . 1 1 103 103 ARG H H 103 8.155 8.155 8.350 -0.195 18364 4557 1 8 . 1 1 104 104 LEU N N 104 128.859 128.859 121.598 7.261 18364 4558 1 8 . 1 1 104 104 LEU HA H 104 4.553 4.553 5.013 -0.460 18364 4559 1 8 . 1 1 104 104 LEU CA C 104 51.272 51.272 54.248 -2.975 18364 4560 1 8 . 1 1 104 104 LEU CB C 104 43.549 43.549 45.876 -2.327 18364 4561 1 8 . 1 1 104 104 LEU H H 104 9.271 9.271 8.433 0.838 18364 4562 1 8 . 1 1 105 105 GLU N N 105 125.663 125.663 118.548 7.115 18364 4563 1 8 . 1 1 105 105 GLU HA H 105 5.179 5.179 5.064 0.115 18364 4564 1 8 . 1 1 105 105 GLU CA C 105 51.966 51.966 55.066 -3.100 18364 4565 1 8 . 1 1 105 105 GLU CB C 105 29.358 29.358 32.844 -3.486 18364 4566 1 8 . 1 1 105 105 GLU H H 105 8.346 8.346 8.397 -0.051 18364 4567 1 8 . 1 1 106 106 LYS N N 106 123.659 123.659 122.027 1.632 18364 4568 1 8 . 1 1 106 106 LYS HA H 106 4.281 4.281 4.445 -0.164 18364 4569 1 8 . 1 1 106 106 LYS CA C 106 51.118 51.118 54.304 -3.186 18364 4570 1 8 . 1 1 106 106 LYS CB C 106 34.761 34.761 36.100 -1.339 18364 4571 1 8 . 1 1 106 106 LYS H H 106 8.526 8.526 8.681 -0.155 18364 4572 1 8 . 1 1 107 107 GLU N N 107 121.917 121.917 119.582 2.335 18364 4573 1 8 . 1 1 107 107 GLU HA H 107 4.949 4.949 4.568 0.381 18364 4574 1 8 . 1 1 107 107 GLU CA C 107 51.404 51.404 55.547 -4.143 18364 4575 1 8 . 1 1 107 107 GLU CB C 107 29.906 29.906 31.974 -2.068 18364 4576 1 8 . 1 1 107 107 GLU H H 107 7.773 7.773 7.696 0.077 18364 4577 1 8 . 1 1 108 108 TYR N N 108 124.981 124.981 123.318 1.663 18364 4578 1 8 . 1 1 108 108 TYR HA H 108 4.720 4.720 4.798 -0.078 18364 4579 1 8 . 1 1 108 108 TYR CA C 108 54.188 54.188 56.954 -2.766 18364 4580 1 8 . 1 1 108 108 TYR CB C 108 39.101 39.101 42.532 -3.432 18364 4581 1 8 . 1 1 108 108 TYR H H 108 9.031 9.031 8.327 0.704 18364 4582 1 8 . 1 1 109 109 ILE N N 109 121.680 121.680 119.330 2.350 18364 4583 1 8 . 1 1 109 109 ILE HA H 109 5.471 5.471 5.112 0.359 18364 4584 1 8 . 1 1 109 109 ILE CA C 109 56.592 56.592 59.594 -3.002 18364 4585 1 8 . 1 1 109 109 ILE CB C 109 38.728 38.728 42.728 -4.000 18364 4586 1 8 . 1 1 109 109 ILE H H 109 8.475 8.475 8.373 0.102 18364 4587 1 8 . 1 1 110 110 THR N N 110 117.537 117.537 115.425 2.112 18364 4588 1 8 . 1 1 110 110 THR HA H 110 4.521 4.521 4.515 0.006 18364 4589 1 8 . 1 1 110 110 THR CA C 110 59.337 59.337 61.621 -2.284 18364 4590 1 8 . 1 1 110 110 THR CB C 110 67.143 67.143 70.123 -2.980 18364 4591 1 8 . 1 1 110 110 THR H H 110 9.180 9.180 8.465 0.715 18364 4592 1 8 . 1 1 111 111 ASP N N 111 122.428 122.428 124.228 -1.800 18364 4593 1 8 . 1 1 111 111 ASP HA H 111 4.721 4.721 4.700 0.021 18364 4594 1 8 . 1 1 111 111 ASP CA C 111 50.135 50.135 53.143 -3.008 18364 4595 1 8 . 1 1 111 111 ASP CB C 111 39.613 39.613 40.828 -1.215 18364 4596 1 8 . 1 1 111 111 ASP H H 111 9.342 9.342 8.658 0.684 18364 4597 1 8 . 1 1 112 112 GLY N N 112 110.714 110.714 110.909 -0.195 18364 4598 1 8 . 1 1 112 112 GLY CA C 112 43.084 43.084 45.643 -2.559 18364 4599 1 8 . 1 1 112 112 GLY H H 112 8.333 8.333 8.428 -0.095 18364 4600 1 8 . 1 1 113 113 ASN N N 113 119.462 119.462 119.301 0.161 18364 4601 1 8 . 1 1 113 113 ASN HA H 113 4.926 4.926 4.909 0.017 18364 4602 1 8 . 1 1 113 113 ASN CA C 113 49.373 49.373 52.781 -3.408 18364 4603 1 8 . 1 1 113 113 ASN CB C 113 37.377 37.377 39.852 -2.475 18364 4604 1 8 . 1 1 113 113 ASN H H 113 8.210 8.210 8.008 0.202 18364 4605 1 8 . 1 1 114 114 THR N N 114 117.962 117.962 112.179 5.783 18364 4606 1 8 . 1 1 114 114 THR HA H 114 4.136 4.136 4.234 -0.098 18364 4607 1 8 . 1 1 114 114 THR CA C 114 62.066 62.066 62.492 -0.426 18364 4608 1 8 . 1 1 114 114 THR CB C 114 66.489 66.489 69.656 -3.167 18364 4609 1 8 . 1 1 114 114 THR H H 114 8.436 8.436 8.172 0.264 18364 4610 1 8 . 1 1 115 115 LEU N N 115 132.998 132.998 126.287 6.711 18364 4611 1 8 . 1 1 115 115 LEU HA H 115 4.607 4.607 4.741 -0.134 18364 4612 1 8 . 1 1 115 115 LEU CA C 115 52.335 52.335 54.371 -2.037 18364 4613 1 8 . 1 1 115 115 LEU CB C 115 41.546 41.546 45.087 -3.542 18364 4614 1 8 . 1 1 115 115 LEU H H 115 8.789 8.789 8.329 0.460 18364 4615 1 8 . 1 1 116 116 ILE N N 116 126.586 126.586 122.140 4.446 18364 4616 1 8 . 1 1 116 116 ILE HA H 116 4.784 4.784 5.153 -0.369 18364 4617 1 8 . 1 1 116 116 ILE CA C 116 58.270 58.270 59.280 -1.010 18364 4618 1 8 . 1 1 116 116 ILE CB C 116 37.909 37.909 42.158 -4.249 18364 4619 1 8 . 1 1 116 116 ILE H H 116 8.637 8.637 8.327 0.310 18364 4620 1 8 . 1 1 117 117 GLU N N 117 127.084 127.084 120.762 6.322 18364 4621 1 8 . 1 1 117 117 GLU HA H 117 4.830 4.830 4.661 0.169 18364 4622 1 8 . 1 1 117 117 GLU CA C 117 51.847 51.847 55.384 -3.537 18364 4623 1 8 . 1 1 117 117 GLU CB C 117 32.299 32.299 34.331 -2.031 18364 4624 1 8 . 1 1 117 117 GLU H H 117 8.933 8.933 8.675 0.258 18364 4625 1 8 . 1 1 118 118 THR N N 118 110.826 110.826 111.912 -1.086 18364 4626 1 8 . 1 1 118 118 THR HA H 118 5.190 5.190 5.093 0.097 18364 4627 1 8 . 1 1 118 118 THR CA C 118 57.036 57.036 60.914 -3.878 18364 4628 1 8 . 1 1 118 118 THR CB C 118 69.888 69.888 71.415 -1.527 18364 4629 1 8 . 1 1 118 118 THR H H 118 8.664 8.664 8.437 0.227 18364 4630 1 8 . 1 1 119 119 PHE N N 119 115.915 115.915 118.618 -2.703 18364 4631 1 8 . 1 1 119 119 PHE HA H 119 4.999 4.999 5.046 -0.047 18364 4632 1 8 . 1 1 119 119 PHE CA C 119 53.804 53.804 56.550 -2.746 18364 4633 1 8 . 1 1 119 119 PHE CB C 119 39.787 39.787 41.386 -1.599 18364 4634 1 8 . 1 1 119 119 PHE H H 119 8.087 8.087 8.249 -0.162 18364 4635 1 8 . 1 1 120 120 SER N N 120 114.953 114.953 115.439 -0.486 18364 4636 1 8 . 1 1 120 120 SER HA H 120 5.383 5.383 4.787 0.596 18364 4637 1 8 . 1 1 120 120 SER CA C 120 55.192 55.192 58.445 -3.253 18364 4638 1 8 . 1 1 120 120 SER CB C 120 62.113 62.113 64.484 -2.371 18364 4639 1 8 . 1 1 120 120 SER H H 120 8.627 8.627 8.589 0.038 18364 4640 1 8 . 1 1 121 121 VAL N N 121 124.122 124.122 126.311 -2.189 18364 4641 1 8 . 1 1 121 121 VAL HA H 121 4.349 4.349 4.318 0.031 18364 4642 1 8 . 1 1 121 121 VAL CA C 121 59.005 59.005 61.965 -2.960 18364 4643 1 8 . 1 1 121 121 VAL CB C 121 34.127 34.127 32.898 1.229 18364 4644 1 8 . 1 1 121 121 VAL H H 121 8.866 8.866 8.112 0.754 18364 4645 1 8 . 1 1 122 122 SER N N 122 119.703 119.703 120.672 -0.969 18364 4646 1 8 . 1 1 122 122 SER HA H 122 5.598 5.598 5.068 0.530 18364 4647 1 8 . 1 1 122 122 SER CA C 122 53.065 53.065 58.005 -4.940 18364 4648 1 8 . 1 1 122 122 SER CB C 122 63.442 63.442 64.648 -1.206 18364 4649 1 8 . 1 1 122 122 SER H H 122 8.334 8.334 8.435 -0.101 18364 4650 1 8 . 1 1 123 123 THR N N 123 113.276 113.276 112.173 1.103 18364 4651 1 8 . 1 1 123 123 THR HA H 123 4.093 4.093 4.324 -0.231 18364 4652 1 8 . 1 1 123 123 THR CA C 123 60.143 60.143 61.973 -1.830 18364 4653 1 8 . 1 1 123 123 THR CB C 123 64.437 64.437 69.285 -4.848 18364 4654 1 8 . 1 1 123 123 THR H H 123 8.898 8.898 9.018 -0.120 18364 4655 1 8 . 1 1 124 124 LYS N N 124 119.191 119.191 118.958 0.233 18364 4656 1 8 . 1 1 124 124 LYS HA H 124 4.324 4.324 4.497 -0.173 18364 4657 1 8 . 1 1 124 124 LYS CA C 124 53.486 53.486 56.489 -3.003 18364 4658 1 8 . 1 1 124 124 LYS CB C 124 32.376 32.376 35.543 -3.167 18364 4659 1 8 . 1 1 124 124 LYS H H 124 7.569 7.569 7.704 -0.135 18364 4660 1 8 . 1 1 125 125 GLU N N 125 124.243 124.243 121.463 2.780 18364 4661 1 8 . 1 1 125 125 GLU HA H 125 4.255 4.255 4.706 -0.451 18364 4662 1 8 . 1 1 125 125 GLU CA C 125 53.830 53.830 55.727 -1.897 18364 4663 1 8 . 1 1 125 125 GLU CB C 125 27.674 27.674 31.491 -3.817 18364 4664 1 8 . 1 1 125 125 GLU H H 125 8.359 8.359 8.091 0.268 18364 4665 1 9 . 1 1 2 2 ALA CA C 2 50.698 50.698 52.304 -1.606 18364 4666 1 9 . 1 1 2 2 ALA CB C 2 16.688 16.688 18.647 -1.959 18364 4667 1 9 . 1 1 3 3 SER N N 3 113.663 113.663 115.686 -2.023 18364 4668 1 9 . 1 1 3 3 SER HA H 3 4.296 4.296 4.644 -0.348 18364 4669 1 9 . 1 1 3 3 SER CA C 3 55.573 55.573 57.696 -2.123 18364 4670 1 9 . 1 1 3 3 SER CB C 3 60.888 60.888 64.829 -3.941 18364 4671 1 9 . 1 1 3 3 SER H H 3 8.301 8.301 7.629 0.672 18364 4672 1 9 . 1 1 4 4 ASP N N 4 121.532 121.532 120.935 0.597 18364 4673 1 9 . 1 1 4 4 ASP HA H 4 4.394 4.394 4.779 -0.385 18364 4674 1 9 . 1 1 4 4 ASP CA C 4 51.748 51.748 53.781 -2.033 18364 4675 1 9 . 1 1 4 4 ASP CB C 4 38.614 38.614 41.088 -2.474 18364 4676 1 9 . 1 1 4 4 ASP H H 4 7.874 7.874 8.552 -0.678 18364 4677 1 9 . 1 1 5 5 PHE N N 5 119.126 119.126 120.691 -1.565 18364 4678 1 9 . 1 1 5 5 PHE HA H 5 4.535 4.535 4.880 -0.345 18364 4679 1 9 . 1 1 5 5 PHE CA C 5 54.589 54.589 57.299 -2.710 18364 4680 1 9 . 1 1 5 5 PHE CB C 5 37.079 37.079 40.016 -2.937 18364 4681 1 9 . 1 1 5 5 PHE H H 5 7.832 7.832 7.503 0.329 18364 4682 1 9 . 1 1 6 6 GLN N N 6 122.092 122.092 125.551 -3.459 18364 4683 1 9 . 1 1 6 6 GLN HA H 6 4.417 4.417 4.669 -0.252 18364 4684 1 9 . 1 1 6 6 GLN CA C 6 53.128 53.128 55.644 -2.516 18364 4685 1 9 . 1 1 6 6 GLN CB C 6 27.477 27.477 30.689 -3.212 18364 4686 1 9 . 1 1 6 6 GLN H H 6 8.447 8.447 8.796 -0.349 18364 4687 1 9 . 1 1 7 7 THR N N 7 114.717 114.717 114.942 -0.225 18364 4688 1 9 . 1 1 7 7 THR HA H 7 5.035 5.035 4.642 0.393 18364 4689 1 9 . 1 1 7 7 THR CA C 7 57.906 57.906 60.858 -2.952 18364 4690 1 9 . 1 1 7 7 THR CB C 7 68.370 68.370 71.228 -2.858 18364 4691 1 9 . 1 1 7 7 THR H H 7 8.145 8.145 8.467 -0.322 18364 4692 1 9 . 1 1 8 8 GLY N N 8 111.628 111.628 108.736 2.892 18364 4693 1 9 . 1 1 8 8 GLY CA C 8 43.774 43.774 45.588 -1.814 18364 4694 1 9 . 1 1 8 8 GLY H H 8 9.234 9.234 8.343 0.891 18364 4695 1 9 . 1 1 9 9 ILE N N 9 119.585 119.585 124.037 -4.452 18364 4696 1 9 . 1 1 9 9 ILE HA H 9 3.934 3.934 4.630 -0.696 18364 4697 1 9 . 1 1 9 9 ILE CA C 9 58.907 58.907 60.361 -1.454 18364 4698 1 9 . 1 1 9 9 ILE CB C 9 35.738 35.738 37.228 -1.490 18364 4699 1 9 . 1 1 9 9 ILE H H 9 8.603 8.603 8.526 0.077 18364 4700 1 9 . 1 1 10 10 HIS N N 10 133.616 133.616 127.010 6.606 18364 4701 1 9 . 1 1 10 10 HIS HA H 10 5.185 5.185 4.780 0.405 18364 4702 1 9 . 1 1 10 10 HIS CA C 10 53.587 53.587 57.069 -3.482 18364 4703 1 9 . 1 1 10 10 HIS CB C 10 30.817 30.817 30.725 0.092 18364 4704 1 9 . 1 1 10 10 HIS H H 10 8.599 8.599 8.519 0.080 18364 4705 1 9 . 1 1 11 11 LYS N N 11 122.949 122.949 119.869 3.080 18364 4706 1 9 . 1 1 11 11 LYS HA H 11 5.236 5.236 5.218 0.018 18364 4707 1 9 . 1 1 11 11 LYS CA C 11 52.748 52.748 54.890 -2.142 18364 4708 1 9 . 1 1 11 11 LYS CB C 11 35.137 35.137 36.638 -1.501 18364 4709 1 9 . 1 1 11 11 LYS H H 11 8.775 8.775 8.463 0.312 18364 4710 1 9 . 1 1 12 12 ILE N N 12 125.260 125.260 122.643 2.617 18364 4711 1 9 . 1 1 12 12 ILE HA H 12 5.273 5.273 5.135 0.138 18364 4712 1 9 . 1 1 12 12 ILE CA C 12 55.780 55.780 58.757 -2.977 18364 4713 1 9 . 1 1 12 12 ILE CB C 12 38.767 38.767 41.228 -2.461 18364 4714 1 9 . 1 1 12 12 ILE H H 12 8.578 8.578 8.987 -0.409 18364 4715 1 9 . 1 1 13 13 VAL N N 13 126.515 126.515 125.751 0.764 18364 4716 1 9 . 1 1 13 13 VAL HA H 13 4.795 4.795 4.822 -0.027 18364 4717 1 9 . 1 1 13 13 VAL CA C 13 58.115 58.115 61.136 -3.021 18364 4718 1 9 . 1 1 13 13 VAL CB C 13 32.948 32.948 35.152 -2.204 18364 4719 1 9 . 1 1 13 13 VAL H H 13 9.052 9.052 9.057 -0.005 18364 4720 1 9 . 1 1 14 14 ILE N N 14 125.803 125.803 126.189 -0.386 18364 4721 1 9 . 1 1 14 14 ILE HA H 14 5.008 5.008 4.900 0.108 18364 4722 1 9 . 1 1 14 14 ILE CA C 14 57.539 57.539 60.094 -2.555 18364 4723 1 9 . 1 1 14 14 ILE CB C 14 38.656 38.656 41.471 -2.815 18364 4724 1 9 . 1 1 14 14 ILE H H 14 8.974 8.974 8.955 0.019 18364 4725 1 9 . 1 1 15 15 GLN N N 15 125.773 125.773 124.651 1.122 18364 4726 1 9 . 1 1 15 15 GLN HA H 15 5.433 5.433 5.033 0.400 18364 4727 1 9 . 1 1 15 15 GLN CA C 15 51.002 51.002 53.991 -2.989 18364 4728 1 9 . 1 1 15 15 GLN CB C 15 29.637 29.637 32.730 -3.093 18364 4729 1 9 . 1 1 15 15 GLN H H 15 9.244 9.244 8.816 0.428 18364 4730 1 9 . 1 1 16 16 GLN N N 16 119.832 119.832 117.923 1.909 18364 4731 1 9 . 1 1 16 16 GLN HA H 16 5.741 5.741 5.100 0.641 18364 4732 1 9 . 1 1 16 16 GLN CA C 16 50.572 50.572 54.680 -4.108 18364 4733 1 9 . 1 1 16 16 GLN CB C 16 30.039 30.039 32.809 -2.770 18364 4734 1 9 . 1 1 16 16 GLN H H 16 8.964 8.964 8.780 0.184 18364 4735 1 9 . 1 1 17 17 SER N N 17 115.201 115.201 115.572 -0.371 18364 4736 1 9 . 1 1 17 17 SER HA H 17 4.526 4.526 4.713 -0.187 18364 4737 1 9 . 1 1 17 17 SER CA C 17 54.831 54.831 57.267 -2.436 18364 4738 1 9 . 1 1 17 17 SER CB C 17 62.930 62.930 64.781 -1.851 18364 4739 1 9 . 1 1 17 17 SER H H 17 8.770 8.770 8.188 0.582 18364 4740 1 9 . 1 1 18 18 GLY N N 18 109.321 109.321 110.425 -1.104 18364 4741 1 9 . 1 1 18 18 GLY CA C 18 41.737 41.737 45.163 -3.426 18364 4742 1 9 . 1 1 18 18 GLY H H 18 8.798 8.798 8.361 0.437 18364 4743 1 9 . 1 1 19 19 ASP N N 19 128.121 128.121 125.042 3.079 18364 4744 1 9 . 1 1 19 19 ASP HA H 19 5.071 5.071 5.041 0.030 18364 4745 1 9 . 1 1 19 19 ASP CA C 19 51.251 51.251 53.414 -2.163 18364 4746 1 9 . 1 1 19 19 ASP CB C 19 37.872 37.872 42.387 -4.515 18364 4747 1 9 . 1 1 19 19 ASP H H 19 9.708 9.708 8.380 1.328 18364 4748 1 9 . 1 1 20 20 THR N N 20 111.610 111.610 114.892 -3.282 18364 4749 1 9 . 1 1 20 20 THR HA H 20 3.615 3.615 4.686 -1.071 18364 4750 1 9 . 1 1 20 20 THR CA C 20 63.331 63.331 61.546 1.785 18364 4751 1 9 . 1 1 20 20 THR CB C 20 64.873 64.873 69.872 -4.999 18364 4752 1 9 . 1 1 20 20 THR H H 20 8.136 8.136 8.483 -0.347 18364 4753 1 9 . 1 1 21 21 ASP N N 21 118.304 118.304 121.826 -3.522 18364 4754 1 9 . 1 1 21 21 ASP HA H 21 4.639 4.639 4.788 -0.149 18364 4755 1 9 . 1 1 21 21 ASP CA C 21 52.945 52.945 56.396 -3.451 18364 4756 1 9 . 1 1 21 21 ASP CB C 21 37.785 37.785 41.603 -3.818 18364 4757 1 9 . 1 1 21 21 ASP H H 21 8.566 8.566 8.433 0.133 18364 4758 1 9 . 1 1 22 22 SER N N 22 114.253 114.253 113.399 0.854 18364 4759 1 9 . 1 1 22 22 SER HA H 22 4.384 4.384 4.640 -0.256 18364 4760 1 9 . 1 1 22 22 SER CA C 22 57.170 57.170 58.544 -1.374 18364 4761 1 9 . 1 1 22 22 SER CB C 22 61.441 61.441 64.149 -2.708 18364 4762 1 9 . 1 1 22 22 SER H H 22 8.076 8.076 8.901 -0.825 18364 4763 1 9 . 1 1 23 23 PHE N N 23 119.853 119.853 118.872 0.981 18364 4764 1 9 . 1 1 23 23 PHE HA H 23 5.010 5.010 5.224 -0.214 18364 4765 1 9 . 1 1 23 23 PHE CA C 23 53.272 53.272 56.186 -2.914 18364 4766 1 9 . 1 1 23 23 PHE CB C 23 42.021 42.021 43.603 -1.582 18364 4767 1 9 . 1 1 23 23 PHE H H 23 7.611 7.611 7.719 -0.108 18364 4768 1 9 . 1 1 24 24 GLU N N 24 119.255 119.255 120.791 -1.536 18364 4769 1 9 . 1 1 24 24 GLU HA H 24 4.571 4.571 4.777 -0.206 18364 4770 1 9 . 1 1 24 24 GLU CA C 24 52.642 52.642 55.235 -2.593 18364 4771 1 9 . 1 1 24 24 GLU CB C 24 28.881 28.881 31.607 -2.726 18364 4772 1 9 . 1 1 24 24 GLU H H 24 8.958 8.958 9.066 -0.108 18364 4773 1 9 . 1 1 25 25 VAL N N 25 130.637 130.637 121.489 9.148 18364 4774 1 9 . 1 1 25 25 VAL HA H 25 4.859 4.859 4.734 0.125 18364 4775 1 9 . 1 1 25 25 VAL CA C 25 58.548 58.548 61.636 -3.088 18364 4776 1 9 . 1 1 25 25 VAL CB C 25 30.439 30.439 33.612 -3.174 18364 4777 1 9 . 1 1 25 25 VAL H H 25 9.678 9.678 8.510 1.168 18364 4778 1 9 . 1 1 26 26 SER N N 26 122.555 122.555 122.350 0.205 18364 4779 1 9 . 1 1 26 26 SER HA H 26 5.289 5.289 5.333 -0.044 18364 4780 1 9 . 1 1 26 26 SER CA C 26 54.088 54.088 56.739 -2.651 18364 4781 1 9 . 1 1 26 26 SER CB C 26 62.476 62.476 65.379 -2.903 18364 4782 1 9 . 1 1 26 26 SER H H 26 8.883 8.883 8.933 -0.050 18364 4783 1 9 . 1 1 27 27 VAL N N 27 113.682 113.682 115.964 -2.282 18364 4784 1 9 . 1 1 27 27 VAL HA H 27 5.269 5.269 4.677 0.592 18364 4785 1 9 . 1 1 27 27 VAL CA C 27 56.005 56.005 59.844 -3.839 18364 4786 1 9 . 1 1 27 27 VAL CB C 27 34.158 34.158 33.952 0.206 18364 4787 1 9 . 1 1 27 27 VAL H H 27 8.493 8.493 9.086 -0.594 18364 4788 1 9 . 1 1 28 28 SER N N 28 116.852 116.852 121.276 -4.424 18364 4789 1 9 . 1 1 28 28 SER HA H 28 5.410 5.410 4.533 0.877 18364 4790 1 9 . 1 1 28 28 SER CA C 28 54.633 54.633 59.571 -4.938 18364 4791 1 9 . 1 1 28 28 SER CB C 28 62.095 62.095 63.676 -1.581 18364 4792 1 9 . 1 1 28 28 SER H H 28 8.709 8.709 8.872 -0.163 18364 4793 1 9 . 1 1 29 29 ILE N N 29 128.765 128.765 127.824 0.941 18364 4794 1 9 . 1 1 29 29 ILE HA H 29 5.224 5.224 4.645 0.579 18364 4795 1 9 . 1 1 29 29 ILE CA C 29 57.247 57.247 60.308 -3.061 18364 4796 1 9 . 1 1 29 29 ILE CB C 29 39.144 39.144 40.524 -1.380 18364 4797 1 9 . 1 1 29 29 ILE H H 29 9.631 9.631 8.756 0.875 18364 4798 1 9 . 1 1 30 30 GLY N N 30 112.478 112.478 112.895 -0.417 18364 4799 1 9 . 1 1 30 30 GLY CA C 30 42.140 42.140 44.245 -2.105 18364 4800 1 9 . 1 1 30 30 GLY H H 30 8.095 8.095 7.730 0.365 18364 4801 1 9 . 1 1 31 31 GLY N N 31 108.502 108.502 104.894 3.608 18364 4802 1 9 . 1 1 31 31 GLY CA C 31 43.201 43.201 45.219 -2.018 18364 4803 1 9 . 1 1 31 31 GLY H H 31 9.755 9.755 8.067 1.688 18364 4804 1 9 . 1 1 32 32 ALA N N 32 122.020 122.020 120.347 1.673 18364 4805 1 9 . 1 1 32 32 ALA HA H 32 4.967 4.967 5.255 -0.288 18364 4806 1 9 . 1 1 32 32 ALA CA C 32 48.540 48.540 50.852 -2.312 18364 4807 1 9 . 1 1 32 32 ALA CB C 32 21.078 21.078 23.121 -2.043 18364 4808 1 9 . 1 1 32 32 ALA H H 32 7.338 7.338 7.354 -0.016 18364 4809 1 9 . 1 1 33 33 ASP N N 33 121.217 121.217 118.468 2.749 18364 4810 1 9 . 1 1 33 33 ASP HA H 33 3.680 3.680 4.669 -0.989 18364 4811 1 9 . 1 1 33 33 ASP CA C 33 49.520 49.520 53.326 -3.806 18364 4812 1 9 . 1 1 33 33 ASP CB C 33 40.840 40.840 43.949 -3.109 18364 4813 1 9 . 1 1 33 33 ASP H H 33 8.945 8.945 9.020 -0.075 18364 4814 1 9 . 1 1 34 34 LYS N N 34 117.693 117.693 121.573 -3.880 18364 4815 1 9 . 1 1 34 34 LYS HA H 34 4.017 4.017 4.307 -0.290 18364 4816 1 9 . 1 1 34 34 LYS CA C 34 56.700 56.700 56.467 0.233 18364 4817 1 9 . 1 1 34 34 LYS CB C 34 29.772 29.772 31.105 -1.333 18364 4818 1 9 . 1 1 34 34 LYS H H 34 8.200 8.200 8.554 -0.354 18364 4819 1 9 . 1 1 35 35 GLY N N 35 106.697 106.697 110.619 -3.922 18364 4820 1 9 . 1 1 35 35 GLY CA C 35 42.719 42.719 44.611 -1.892 18364 4821 1 9 . 1 1 35 35 GLY H H 35 8.653 8.653 8.515 0.138 18364 4822 1 9 . 1 1 36 36 GLY N N 36 110.824 110.824 108.214 2.610 18364 4823 1 9 . 1 1 36 36 GLY CA C 36 41.099 41.099 45.132 -4.033 18364 4824 1 9 . 1 1 36 36 GLY H H 36 7.601 7.601 7.688 -0.087 18364 4825 1 9 . 1 1 37 37 PRO HA H 37 4.571 4.571 4.696 -0.125 18364 4826 1 9 . 1 1 37 37 PRO CA C 37 60.012 60.012 62.225 -2.213 18364 4827 1 9 . 1 1 37 37 PRO CB C 37 29.470 29.470 32.452 -2.982 18364 4828 1 9 . 1 1 38 38 ALA N N 38 127.841 127.841 127.253 0.588 18364 4829 1 9 . 1 1 38 38 ALA HA H 38 4.127 4.127 4.480 -0.353 18364 4830 1 9 . 1 1 38 38 ALA CA C 38 48.117 48.117 50.777 -2.660 18364 4831 1 9 . 1 1 38 38 ALA CB C 38 16.655 16.655 19.222 -2.567 18364 4832 1 9 . 1 1 38 38 ALA H H 38 7.486 7.486 8.000 -0.514 18364 4833 1 9 . 1 1 39 39 LYS N N 39 121.148 121.148 126.351 -5.203 18364 4834 1 9 . 1 1 39 39 LYS HA H 39 4.115 4.115 4.193 -0.078 18364 4835 1 9 . 1 1 39 39 LYS CA C 39 55.674 55.674 56.922 -1.248 18364 4836 1 9 . 1 1 39 39 LYS CB C 39 31.223 31.223 31.644 -0.421 18364 4837 1 9 . 1 1 39 39 LYS H H 39 8.042 8.042 8.202 -0.160 18364 4838 1 9 . 1 1 40 40 LEU N N 40 118.817 118.817 123.901 -5.084 18364 4839 1 9 . 1 1 40 40 LEU HA H 40 5.122 5.122 4.562 0.560 18364 4840 1 9 . 1 1 40 40 LEU CA C 40 50.156 50.156 53.789 -3.634 18364 4841 1 9 . 1 1 40 40 LEU CB C 40 42.172 42.172 42.208 -0.036 18364 4842 1 9 . 1 1 40 40 LEU H H 40 7.901 7.901 8.380 -0.479 18364 4843 1 9 . 1 1 41 41 TYR N N 41 117.843 117.843 118.786 -0.943 18364 4844 1 9 . 1 1 41 41 TYR HA H 41 5.303 5.303 5.091 0.212 18364 4845 1 9 . 1 1 41 41 TYR CA C 41 53.394 53.394 56.644 -3.250 18364 4846 1 9 . 1 1 41 41 TYR CB C 41 39.419 39.419 41.373 -1.954 18364 4847 1 9 . 1 1 41 41 TYR H H 41 9.109 9.109 9.290 -0.181 18364 4848 1 9 . 1 1 42 42 ASN N N 42 117.689 117.689 120.171 -2.482 18364 4849 1 9 . 1 1 42 42 ASN HA H 42 4.984 4.984 4.805 0.179 18364 4850 1 9 . 1 1 42 42 ASN CA C 42 48.001 48.001 52.366 -4.365 18364 4851 1 9 . 1 1 42 42 ASN CB C 42 36.514 36.514 39.523 -3.009 18364 4852 1 9 . 1 1 42 42 ASN H H 42 8.239 8.239 9.034 -0.795 18364 4853 1 9 . 1 1 43 43 ASP N N 43 116.760 116.760 119.044 -2.284 18364 4854 1 9 . 1 1 43 43 ASP HA H 43 4.170 4.170 4.634 -0.464 18364 4855 1 9 . 1 1 43 43 ASP CA C 43 53.123 53.123 54.348 -1.225 18364 4856 1 9 . 1 1 43 43 ASP CB C 43 37.355 37.355 40.109 -2.754 18364 4857 1 9 . 1 1 43 43 ASP H H 43 8.650 8.650 8.916 -0.266 18364 4858 1 9 . 1 1 44 44 LYS N N 44 118.108 118.108 117.622 0.486 18364 4859 1 9 . 1 1 44 44 LYS HA H 44 4.359 4.359 4.448 -0.089 18364 4860 1 9 . 1 1 44 44 LYS CA C 44 52.676 52.676 55.914 -3.238 18364 4861 1 9 . 1 1 44 44 LYS CB C 44 30.170 30.170 33.317 -3.147 18364 4862 1 9 . 1 1 44 44 LYS H H 44 7.505 7.505 7.985 -0.480 18364 4863 1 9 . 1 1 45 45 GLY N N 45 108.163 108.163 108.502 -0.339 18364 4864 1 9 . 1 1 45 45 GLY CA C 45 42.988 42.988 45.267 -2.279 18364 4865 1 9 . 1 1 45 45 GLY H H 45 8.117 8.117 8.066 0.051 18364 4866 1 9 . 1 1 46 46 GLU N N 46 120.173 120.173 118.923 1.250 18364 4867 1 9 . 1 1 46 46 GLU HA H 46 4.345 4.345 4.885 -0.540 18364 4868 1 9 . 1 1 46 46 GLU CA C 46 52.409 52.409 54.778 -2.369 18364 4869 1 9 . 1 1 46 46 GLU CB C 46 27.408 27.408 31.609 -4.201 18364 4870 1 9 . 1 1 46 46 GLU H H 46 7.884 7.884 8.051 -0.167 18364 4871 1 9 . 1 1 47 47 TYR N N 47 123.803 123.803 120.481 3.322 18364 4872 1 9 . 1 1 47 47 TYR HA H 47 4.351 4.351 4.133 0.218 18364 4873 1 9 . 1 1 47 47 TYR CA C 47 54.317 54.317 57.653 -3.336 18364 4874 1 9 . 1 1 47 47 TYR CB C 47 35.858 35.858 38.680 -2.822 18364 4875 1 9 . 1 1 47 47 TYR H H 47 8.710 8.710 8.645 0.065 18364 4876 1 9 . 1 1 48 48 ILE N N 48 123.458 123.458 117.042 6.416 18364 4877 1 9 . 1 1 48 48 ILE HA H 48 4.173 4.173 4.350 -0.177 18364 4878 1 9 . 1 1 48 48 ILE CA C 48 58.314 58.314 60.764 -2.450 18364 4879 1 9 . 1 1 48 48 ILE CB C 48 36.129 36.129 39.149 -3.020 18364 4880 1 9 . 1 1 48 48 ILE H H 48 8.416 8.416 8.765 -0.349 18364 4881 1 9 . 1 1 49 49 GLY N N 49 107.257 107.257 110.051 -2.794 18364 4882 1 9 . 1 1 49 49 GLY CA C 49 41.367 41.367 45.711 -4.344 18364 4883 1 9 . 1 1 49 49 GLY H H 49 5.472 5.472 7.638 -2.166 18364 4884 1 9 . 1 1 50 50 ASP N N 50 116.887 116.887 115.860 1.027 18364 4885 1 9 . 1 1 50 50 ASP HA H 50 5.043 5.043 4.758 0.285 18364 4886 1 9 . 1 1 50 50 ASP CA C 50 50.588 50.588 53.863 -3.275 18364 4887 1 9 . 1 1 50 50 ASP CB C 50 37.448 37.448 42.465 -5.017 18364 4888 1 9 . 1 1 50 50 ASP H H 50 8.234 8.234 8.568 -0.334 18364 4889 1 9 . 1 1 51 51 SER N N 51 112.664 112.664 113.149 -0.485 18364 4890 1 9 . 1 1 51 51 SER HA H 51 4.439 4.439 5.076 -0.637 18364 4891 1 9 . 1 1 51 51 SER CA C 51 55.489 55.489 57.817 -2.328 18364 4892 1 9 . 1 1 51 51 SER CB C 51 61.559 61.559 65.816 -4.257 18364 4893 1 9 . 1 1 51 51 SER H H 51 7.689 7.689 7.535 0.154 18364 4894 1 9 . 1 1 52 52 TYR N N 52 122.672 122.672 119.470 3.202 18364 4895 1 9 . 1 1 52 52 TYR HA H 52 4.732 4.732 4.742 -0.010 18364 4896 1 9 . 1 1 52 52 TYR CA C 52 55.168 55.168 57.855 -2.687 18364 4897 1 9 . 1 1 52 52 TYR CB C 52 38.599 38.599 38.939 -0.340 18364 4898 1 9 . 1 1 52 52 TYR H H 52 8.231 8.231 8.033 0.198 18364 4899 1 9 . 1 1 53 53 SER N N 53 123.803 123.803 116.999 6.804 18364 4900 1 9 . 1 1 53 53 SER HA H 53 5.429 5.429 5.269 0.160 18364 4901 1 9 . 1 1 53 53 SER CA C 53 53.508 53.508 57.606 -4.098 18364 4902 1 9 . 1 1 53 53 SER CB C 53 61.674 61.674 64.707 -3.033 18364 4903 1 9 . 1 1 53 53 SER H H 53 8.008 8.008 8.610 -0.602 18364 4904 1 9 . 1 1 54 54 ALA N N 54 125.516 125.516 128.504 -2.988 18364 4905 1 9 . 1 1 54 54 ALA HA H 54 4.289 4.289 4.551 -0.262 18364 4906 1 9 . 1 1 54 54 ALA CA C 54 49.097 49.097 51.656 -2.559 18364 4907 1 9 . 1 1 54 54 ALA CB C 54 20.259 20.259 20.567 -0.307 18364 4908 1 9 . 1 1 54 54 ALA H H 54 8.089 8.089 8.573 -0.484 18364 4909 1 9 . 1 1 55 55 GLN N N 55 118.838 118.838 120.902 -2.064 18364 4910 1 9 . 1 1 55 55 GLN HA H 55 4.975 4.975 5.084 -0.109 18364 4911 1 9 . 1 1 55 55 GLN CA C 55 52.306 52.306 53.901 -1.595 18364 4912 1 9 . 1 1 55 55 GLN CB C 55 26.138 26.138 31.341 -5.203 18364 4913 1 9 . 1 1 55 55 GLN H H 55 8.100 8.100 8.535 -0.435 18364 4914 1 9 . 1 1 56 56 ILE N N 56 124.748 124.748 127.955 -3.207 18364 4915 1 9 . 1 1 56 56 ILE HA H 56 4.246 4.246 4.044 0.202 18364 4916 1 9 . 1 1 56 56 ILE CA C 56 57.529 57.529 61.078 -3.550 18364 4917 1 9 . 1 1 56 56 ILE CB C 56 34.915 34.915 35.520 -0.605 18364 4918 1 9 . 1 1 56 56 ILE H H 56 8.910 8.910 8.869 0.041 18364 4919 1 9 . 1 1 57 57 ARG N N 57 127.183 127.183 124.949 2.234 18364 4920 1 9 . 1 1 57 57 ARG HA H 57 4.777 4.777 4.647 0.130 18364 4921 1 9 . 1 1 57 57 ARG CA C 57 52.455 52.455 54.207 -1.752 18364 4922 1 9 . 1 1 57 57 ARG CB C 57 28.839 28.839 30.518 -1.679 18364 4923 1 9 . 1 1 57 57 ARG H H 57 8.979 8.979 8.217 0.762 18364 4924 1 9 . 1 1 58 58 THR N N 58 109.995 109.995 110.295 -0.300 18364 4925 1 9 . 1 1 58 58 THR HA H 58 4.529 4.529 4.594 -0.065 18364 4926 1 9 . 1 1 58 58 THR CA C 58 57.124 57.124 59.921 -2.797 18364 4927 1 9 . 1 1 58 58 THR CB C 58 68.143 68.143 72.266 -4.123 18364 4928 1 9 . 1 1 58 58 THR H H 58 7.150 7.150 7.373 -0.223 18364 4929 1 9 . 1 1 59 59 ALA N N 59 123.143 123.143 122.136 1.007 18364 4930 1 9 . 1 1 59 59 ALA HA H 59 4.167 4.167 4.309 -0.142 18364 4931 1 9 . 1 1 59 59 ALA CA C 59 52.603 52.603 54.312 -1.709 18364 4932 1 9 . 1 1 59 59 ALA CB C 59 16.910 16.910 18.990 -2.080 18364 4933 1 9 . 1 1 59 59 ALA H H 59 8.531 8.531 8.557 -0.026 18364 4934 1 9 . 1 1 60 60 THR N N 60 105.988 105.988 109.362 -3.374 18364 4935 1 9 . 1 1 60 60 THR HA H 60 5.471 5.471 5.078 0.393 18364 4936 1 9 . 1 1 60 60 THR CA C 60 56.904 56.904 61.322 -4.418 18364 4937 1 9 . 1 1 60 60 THR CB C 60 69.111 69.111 70.667 -1.556 18364 4938 1 9 . 1 1 60 60 THR H H 60 7.521 7.521 7.549 -0.028 18364 4939 1 9 . 1 1 61 61 MET N N 61 124.706 124.706 119.630 5.076 18364 4940 1 9 . 1 1 61 61 MET HA H 61 4.641 4.641 4.861 -0.220 18364 4941 1 9 . 1 1 61 61 MET CA C 61 52.883 52.883 54.844 -1.961 18364 4942 1 9 . 1 1 61 61 MET CB C 61 32.345 32.345 37.228 -4.883 18364 4943 1 9 . 1 1 61 61 MET H H 61 8.758 8.758 8.948 -0.190 18364 4944 1 9 . 1 1 62 62 SER N N 62 117.004 117.004 116.220 0.784 18364 4945 1 9 . 1 1 62 62 SER HA H 62 5.551 5.551 5.435 0.116 18364 4946 1 9 . 1 1 62 62 SER CA C 62 54.255 54.255 57.620 -3.365 18364 4947 1 9 . 1 1 62 62 SER CB C 62 64.130 64.130 66.391 -2.262 18364 4948 1 9 . 1 1 62 62 SER H H 62 8.164 8.164 8.573 -0.409 18364 4949 1 9 . 1 1 63 63 CYS N N 63 120.270 120.270 118.936 1.334 18364 4950 1 9 . 1 1 63 63 CYS HA H 63 5.075 5.075 5.199 -0.124 18364 4951 1 9 . 1 1 63 63 CYS CA C 63 54.676 54.676 57.689 -3.013 18364 4952 1 9 . 1 1 63 63 CYS CB C 63 28.679 28.679 31.826 -3.147 18364 4953 1 9 . 1 1 63 63 CYS H H 63 8.537 8.537 8.860 -0.323 18364 4954 1 9 . 1 1 64 64 CYS N N 64 120.868 120.868 119.574 1.294 18364 4955 1 9 . 1 1 64 64 CYS HA H 64 5.918 5.918 5.708 0.210 18364 4956 1 9 . 1 1 64 64 CYS CA C 64 53.204 53.204 55.772 -2.568 18364 4957 1 9 . 1 1 64 64 CYS CB C 64 30.216 30.216 31.925 -1.709 18364 4958 1 9 . 1 1 64 64 CYS H H 64 9.307 9.307 9.227 0.080 18364 4959 1 9 . 1 1 65 65 THR N N 65 109.830 109.830 111.833 -2.003 18364 4960 1 9 . 1 1 65 65 THR HA H 65 5.426 5.426 4.840 0.586 18364 4961 1 9 . 1 1 65 65 THR CA C 65 58.465 58.465 60.095 -1.630 18364 4962 1 9 . 1 1 65 65 THR CB C 65 69.665 69.665 71.249 -1.585 18364 4963 1 9 . 1 1 65 65 THR H H 65 8.447 8.447 8.170 0.277 18364 4964 1 9 . 1 1 66 66 ASN N N 66 114.459 114.459 116.915 -2.456 18364 4965 1 9 . 1 1 66 66 ASN HA H 66 4.656 4.656 4.277 0.379 18364 4966 1 9 . 1 1 66 66 ASN CA C 66 49.879 49.879 52.611 -2.732 18364 4967 1 9 . 1 1 66 66 ASN CB C 66 36.267 36.267 38.582 -2.315 18364 4968 1 9 . 1 1 66 66 ASN H H 66 9.300 9.300 8.547 0.753 18364 4969 1 9 . 1 1 67 67 GLY N N 67 103.647 103.647 103.921 -0.274 18364 4970 1 9 . 1 1 67 67 GLY CA C 67 43.796 43.796 44.828 -1.032 18364 4971 1 9 . 1 1 67 67 GLY H H 67 8.237 8.237 8.539 -0.302 18364 4972 1 9 . 1 1 69 69 ALA N N 69 121.911 121.911 123.674 -1.763 18364 4973 1 9 . 1 1 69 69 ALA HA H 69 4.244 4.244 4.392 -0.148 18364 4974 1 9 . 1 1 69 69 ALA CA C 69 49.758 49.758 51.388 -1.630 18364 4975 1 9 . 1 1 69 69 ALA CB C 69 17.376 17.376 21.120 -3.744 18364 4976 1 9 . 1 1 69 69 ALA H H 69 7.677 7.677 7.627 0.050 18364 4977 1 9 . 1 1 70 70 PHE N N 70 114.118 114.118 116.550 -2.432 18364 4978 1 9 . 1 1 70 70 PHE HA H 70 4.965 4.965 4.966 -0.001 18364 4979 1 9 . 1 1 70 70 PHE CA C 70 53.129 53.129 58.064 -4.935 18364 4980 1 9 . 1 1 70 70 PHE CB C 70 37.917 37.917 42.509 -4.592 18364 4981 1 9 . 1 1 70 70 PHE H H 70 8.549 8.549 8.498 0.051 18364 4982 1 9 . 1 1 71 71 PHE N N 71 110.252 110.252 114.971 -4.719 18364 4983 1 9 . 1 1 71 71 PHE HA H 71 4.247 4.247 4.873 -0.626 18364 4984 1 9 . 1 1 71 71 PHE CA C 71 54.475 54.475 56.094 -1.619 18364 4985 1 9 . 1 1 71 71 PHE CB C 71 38.123 38.123 41.429 -3.306 18364 4986 1 9 . 1 1 71 71 PHE H H 71 6.617 6.617 7.406 -0.789 18364 4987 1 9 . 1 1 72 72 MET N N 72 118.637 118.637 118.300 0.337 18364 4988 1 9 . 1 1 72 72 MET HA H 72 4.800 4.800 4.713 0.087 18364 4989 1 9 . 1 1 72 72 MET CA C 72 53.108 53.108 54.314 -1.206 18364 4990 1 9 . 1 1 72 72 MET CB C 72 35.826 35.826 36.641 -0.815 18364 4991 1 9 . 1 1 72 72 MET H H 72 8.162 8.162 8.221 -0.059 18364 4992 1 9 . 1 1 73 73 THR N N 73 117.278 117.278 115.373 1.905 18364 4993 1 9 . 1 1 73 73 THR HA H 73 5.018 5.018 4.883 0.135 18364 4994 1 9 . 1 1 73 73 THR CA C 73 58.316 58.316 60.890 -2.574 18364 4995 1 9 . 1 1 73 73 THR CB C 73 69.118 69.118 71.588 -2.470 18364 4996 1 9 . 1 1 73 73 THR H H 73 9.220 9.220 8.488 0.732 18364 4997 1 9 . 1 1 74 74 CYS N N 74 124.101 124.101 124.653 -0.552 18364 4998 1 9 . 1 1 74 74 CYS HA H 74 5.076 5.076 5.453 -0.377 18364 4999 1 9 . 1 1 74 74 CYS CA C 74 54.219 54.219 58.070 -3.851 18364 5000 1 9 . 1 1 74 74 CYS CB C 74 27.012 27.012 29.079 -2.067 18364 5001 1 9 . 1 1 74 74 CYS H H 74 8.958 8.958 8.885 0.073 18364 5002 1 9 . 1 1 75 75 ALA N N 75 132.901 132.901 129.551 3.350 18364 5003 1 9 . 1 1 75 75 ALA HA H 75 4.975 4.975 5.404 -0.429 18364 5004 1 9 . 1 1 75 75 ALA CA C 75 47.826 47.826 50.371 -2.545 18364 5005 1 9 . 1 1 75 75 ALA CB C 75 18.111 18.111 22.605 -4.494 18364 5006 1 9 . 1 1 75 75 ALA H H 75 8.834 8.834 8.124 0.710 18364 5007 1 9 . 1 1 76 76 GLY N N 76 110.691 110.691 109.222 1.469 18364 5008 1 9 . 1 1 76 76 GLY CA C 76 41.784 41.784 45.014 -3.230 18364 5009 1 9 . 1 1 76 76 GLY H H 76 8.265 8.265 7.727 0.538 18364 5010 1 9 . 1 1 77 77 SER N N 77 115.145 115.145 113.440 1.705 18364 5011 1 9 . 1 1 77 77 SER HA H 77 4.980 4.980 4.914 0.066 18364 5012 1 9 . 1 1 77 77 SER CA C 77 54.022 54.022 57.285 -3.263 18364 5013 1 9 . 1 1 77 77 SER CB C 77 62.987 62.987 66.984 -3.997 18364 5014 1 9 . 1 1 77 77 SER H H 77 8.723 8.723 8.501 0.222 18364 5015 1 9 . 1 1 78 78 VAL N N 78 124.775 124.775 119.192 5.583 18364 5016 1 9 . 1 1 78 78 VAL HA H 78 4.634 4.634 4.979 -0.345 18364 5017 1 9 . 1 1 78 78 VAL CA C 78 58.437 58.437 59.910 -1.473 18364 5018 1 9 . 1 1 78 78 VAL CB C 78 32.177 32.177 35.958 -3.781 18364 5019 1 9 . 1 1 78 78 VAL H H 78 8.963 8.963 8.643 0.320 18364 5020 1 9 . 1 1 79 79 SER N N 79 118.951 118.951 121.654 -2.703 18364 5021 1 9 . 1 1 79 79 SER HA H 79 5.619 5.619 5.241 0.378 18364 5022 1 9 . 1 1 79 79 SER CA C 79 53.011 53.011 57.381 -4.370 18364 5023 1 9 . 1 1 79 79 SER CB C 79 64.197 64.197 66.841 -2.644 18364 5024 1 9 . 1 1 79 79 SER H H 79 8.661 8.661 8.711 -0.050 18364 5025 1 9 . 1 1 80 80 SER N N 80 114.750 114.750 115.446 -0.696 18364 5026 1 9 . 1 1 80 80 SER HA H 80 4.439 4.439 4.924 -0.485 18364 5027 1 9 . 1 1 80 80 SER CA C 80 56.198 56.198 56.085 0.113 18364 5028 1 9 . 1 1 80 80 SER CB C 80 63.490 63.490 64.494 -1.004 18364 5029 1 9 . 1 1 80 80 SER H H 80 8.563 8.563 8.878 -0.315 18364 5030 1 9 . 1 1 81 81 ILE N N 81 120.003 120.003 119.577 0.426 18364 5031 1 9 . 1 1 81 81 ILE HA H 81 4.576 4.576 4.584 -0.008 18364 5032 1 9 . 1 1 81 81 ILE CA C 81 57.951 57.951 59.742 -1.790 18364 5033 1 9 . 1 1 81 81 ILE CB C 81 36.011 36.011 37.049 -1.038 18364 5034 1 9 . 1 1 81 81 ILE H H 81 8.366 8.366 8.583 -0.217 18364 5035 1 9 . 1 1 82 82 SER N N 82 119.139 119.139 117.264 1.875 18364 5036 1 9 . 1 1 82 82 SER HA H 82 4.158 4.158 4.555 -0.397 18364 5037 1 9 . 1 1 82 82 SER CA C 82 56.910 56.910 56.913 -0.003 18364 5038 1 9 . 1 1 82 82 SER CB C 82 62.055 62.055 64.983 -2.928 18364 5039 1 9 . 1 1 82 82 SER H H 82 8.204 8.204 7.738 0.466 18364 5040 1 9 . 1 1 83 83 GLU N N 83 118.350 118.350 120.469 -2.119 18364 5041 1 9 . 1 1 83 83 GLU HA H 83 4.133 4.133 4.280 -0.147 18364 5042 1 9 . 1 1 83 83 GLU CA C 83 53.267 53.267 56.222 -2.955 18364 5043 1 9 . 1 1 83 83 GLU CB C 83 27.763 27.763 30.256 -2.493 18364 5044 1 9 . 1 1 83 83 GLU H H 83 8.381 8.381 8.569 -0.188 18364 5045 1 9 . 1 1 84 84 ALA N N 84 121.665 121.665 123.158 -1.493 18364 5046 1 9 . 1 1 84 84 ALA HA H 84 3.542 3.542 3.987 -0.445 18364 5047 1 9 . 1 1 84 84 ALA CA C 84 50.621 50.621 53.652 -3.031 18364 5048 1 9 . 1 1 84 84 ALA CB C 84 16.540 16.540 18.776 -2.236 18364 5049 1 9 . 1 1 84 84 ALA H H 84 8.482 8.482 8.426 0.056 18364 5050 1 9 . 1 1 85 85 GLY N N 85 108.356 108.356 107.562 0.794 18364 5051 1 9 . 1 1 85 85 GLY CA C 85 42.955 42.955 45.209 -2.254 18364 5052 1 9 . 1 1 85 85 GLY H H 85 8.078 8.078 8.631 -0.553 18364 5053 1 9 . 1 1 86 86 LYS N N 86 121.491 121.491 121.531 -0.040 18364 5054 1 9 . 1 1 86 86 LYS HA H 86 4.638 4.638 4.311 0.327 18364 5055 1 9 . 1 1 86 86 LYS CA C 86 51.073 51.073 56.725 -5.652 18364 5056 1 9 . 1 1 86 86 LYS CB C 86 29.750 29.750 33.103 -3.353 18364 5057 1 9 . 1 1 86 86 LYS H H 86 8.225 8.225 7.935 0.290 18364 5058 1 9 . 1 1 87 87 ARG N N 87 121.874 121.874 117.934 3.940 18364 5059 1 9 . 1 1 87 87 ARG HA H 87 5.673 5.673 5.479 0.194 18364 5060 1 9 . 1 1 87 87 ARG CA C 87 52.139 52.139 54.714 -2.575 18364 5061 1 9 . 1 1 87 87 ARG CB C 87 32.163 32.163 34.233 -2.070 18364 5062 1 9 . 1 1 87 87 ARG H H 87 9.979 9.979 8.481 1.498 18364 5063 1 9 . 1 1 88 88 LEU N N 88 125.264 125.264 119.965 5.299 18364 5064 1 9 . 1 1 88 88 LEU HA H 88 4.562 4.562 4.874 -0.312 18364 5065 1 9 . 1 1 88 88 LEU CA C 88 50.284 50.284 54.785 -4.502 18364 5066 1 9 . 1 1 88 88 LEU CB C 88 42.309 42.309 45.952 -3.643 18364 5067 1 9 . 1 1 88 88 LEU H H 88 8.756 8.756 8.585 0.171 18364 5068 1 9 . 1 1 89 89 HIS N N 89 125.453 125.453 126.219 -0.766 18364 5069 1 9 . 1 1 89 89 HIS HA H 89 5.188 5.188 5.141 0.047 18364 5070 1 9 . 1 1 89 89 HIS CA C 89 51.389 51.389 54.183 -2.794 18364 5071 1 9 . 1 1 89 89 HIS CB C 89 27.731 27.731 31.298 -3.567 18364 5072 1 9 . 1 1 89 89 HIS H H 89 8.910 8.910 8.418 0.492 18364 5073 1 9 . 1 1 90 90 ILE N N 90 126.486 126.486 128.034 -1.548 18364 5074 1 9 . 1 1 90 90 ILE HA H 90 5.020 5.020 4.462 0.558 18364 5075 1 9 . 1 1 90 90 ILE CA C 90 55.642 55.642 60.273 -4.631 18364 5076 1 9 . 1 1 90 90 ILE CB C 90 38.696 38.696 37.682 1.014 18364 5077 1 9 . 1 1 90 90 ILE H H 90 8.689 8.689 7.862 0.827 18364 5078 1 9 . 1 1 91 91 THR N N 91 123.200 123.200 122.467 0.733 18364 5079 1 9 . 1 1 91 91 THR HA H 91 5.017 5.017 4.954 0.063 18364 5080 1 9 . 1 1 91 91 THR CA C 91 58.555 58.555 61.362 -2.807 18364 5081 1 9 . 1 1 91 91 THR CB C 91 68.702 68.702 71.084 -2.382 18364 5082 1 9 . 1 1 91 91 THR H H 91 8.636 8.636 8.375 0.261 18364 5083 1 9 . 1 1 92 92 VAL N N 92 127.071 127.071 121.548 5.523 18364 5084 1 9 . 1 1 92 92 VAL HA H 92 5.018 5.018 4.961 0.057 18364 5085 1 9 . 1 1 92 92 VAL CA C 92 57.969 57.969 60.609 -2.640 18364 5086 1 9 . 1 1 92 92 VAL CB C 92 31.323 31.323 33.758 -2.435 18364 5087 1 9 . 1 1 92 92 VAL H H 92 9.162 9.162 8.922 0.240 18364 5088 1 9 . 1 1 93 93 ILE N N 93 127.095 127.095 124.312 2.783 18364 5089 1 9 . 1 1 93 93 ILE HA H 93 4.461 4.461 4.993 -0.532 18364 5090 1 9 . 1 1 93 93 ILE CA C 93 57.972 57.972 59.523 -1.551 18364 5091 1 9 . 1 1 93 93 ILE CB C 93 38.929 38.929 42.455 -3.526 18364 5092 1 9 . 1 1 93 93 ILE H H 93 9.313 9.313 9.057 0.256 18364 5093 1 9 . 1 1 94 94 GLY N N 94 111.893 111.893 110.647 1.246 18364 5094 1 9 . 1 1 94 94 GLY CA C 94 41.781 41.781 44.344 -2.563 18364 5095 1 9 . 1 1 94 94 GLY H H 94 8.577 8.577 8.776 -0.199 18364 5096 1 9 . 1 1 95 95 TYR N N 95 123.099 123.099 120.849 2.250 18364 5097 1 9 . 1 1 95 95 TYR HA H 95 5.399 5.399 5.515 -0.116 18364 5098 1 9 . 1 1 95 95 TYR CA C 95 54.052 54.052 56.119 -2.067 18364 5099 1 9 . 1 1 95 95 TYR CB C 95 41.285 41.285 43.805 -2.520 18364 5100 1 9 . 1 1 95 95 TYR H H 95 9.640 9.640 9.253 0.387 18364 5101 1 9 . 1 1 96 96 ILE N N 96 116.705 116.705 121.433 -4.728 18364 5102 1 9 . 1 1 96 96 ILE HA H 96 4.208 4.208 3.834 0.374 18364 5103 1 9 . 1 1 96 96 ILE CA C 96 58.977 58.977 60.817 -1.840 18364 5104 1 9 . 1 1 96 96 ILE CB C 96 37.245 37.245 38.142 -0.897 18364 5105 1 9 . 1 1 96 96 ILE H H 96 8.270 8.270 8.842 -0.572 18364 5106 1 9 . 1 1 97 97 ASP N N 97 130.442 130.442 128.387 2.055 18364 5107 1 9 . 1 1 97 97 ASP HA H 97 4.165 4.165 4.341 -0.176 18364 5108 1 9 . 1 1 97 97 ASP CA C 97 53.736 53.736 57.284 -3.548 18364 5109 1 9 . 1 1 97 97 ASP CB C 97 36.870 36.870 40.225 -3.355 18364 5110 1 9 . 1 1 97 97 ASP H H 97 9.849 9.849 8.845 1.004 18364 5111 1 9 . 1 1 98 98 ASP N N 98 114.957 114.957 118.910 -3.953 18364 5112 1 9 . 1 1 98 98 ASP HA H 98 4.694 4.694 4.781 -0.087 18364 5113 1 9 . 1 1 98 98 ASP CB C 98 36.266 36.266 43.077 -6.811 18364 5114 1 9 . 1 1 98 98 ASP H H 98 8.355 8.355 8.351 0.004 18364 5115 1 9 . 1 1 99 99 LYS N N 99 121.680 121.680 120.851 0.829 18364 5116 1 9 . 1 1 99 99 LYS HA H 99 4.590 4.590 4.671 -0.081 18364 5117 1 9 . 1 1 99 99 LYS CA C 99 52.354 52.354 55.091 -2.737 18364 5118 1 9 . 1 1 99 99 LYS CB C 99 30.958 30.958 34.310 -3.352 18364 5119 1 9 . 1 1 99 99 LYS H H 99 8.049 8.049 7.958 0.091 18364 5120 1 9 . 1 1 100 100 GLU N N 100 127.574 127.574 126.349 1.225 18364 5121 1 9 . 1 1 100 100 GLU HA H 100 3.804 3.804 3.843 -0.039 18364 5122 1 9 . 1 1 100 100 GLU CA C 100 54.562 54.562 56.613 -2.051 18364 5123 1 9 . 1 1 100 100 GLU CB C 100 26.808 26.808 29.607 -2.799 18364 5124 1 9 . 1 1 100 100 GLU H H 100 8.839 8.839 8.907 -0.068 18364 5125 1 9 . 1 1 101 101 VAL N N 101 120.606 120.606 121.436 -0.830 18364 5126 1 9 . 1 1 101 101 VAL HA H 101 4.534 4.534 4.412 0.122 18364 5127 1 9 . 1 1 101 101 VAL CA C 101 58.379 58.379 61.740 -3.361 18364 5128 1 9 . 1 1 101 101 VAL CB C 101 31.223 31.223 33.491 -2.268 18364 5129 1 9 . 1 1 101 101 VAL H H 101 8.997 8.997 8.358 0.639 18364 5130 1 9 . 1 1 102 102 ASN N N 102 118.568 118.568 119.805 -1.237 18364 5131 1 9 . 1 1 102 102 ASN HA H 102 4.782 4.782 5.012 -0.230 18364 5132 1 9 . 1 1 102 102 ASN CA C 102 50.154 50.154 52.804 -2.650 18364 5133 1 9 . 1 1 102 102 ASN CB C 102 38.848 38.848 41.726 -2.878 18364 5134 1 9 . 1 1 102 102 ASN H H 102 7.598 7.598 7.506 0.092 18364 5135 1 9 . 1 1 103 103 ARG N N 103 120.366 120.366 119.709 0.657 18364 5136 1 9 . 1 1 103 103 ARG HA H 103 5.051 5.051 5.417 -0.366 18364 5137 1 9 . 1 1 103 103 ARG CA C 103 52.900 52.900 55.029 -2.129 18364 5138 1 9 . 1 1 103 103 ARG CB C 103 31.710 31.710 33.291 -1.581 18364 5139 1 9 . 1 1 103 103 ARG H H 103 8.155 8.155 8.356 -0.201 18364 5140 1 9 . 1 1 104 104 LEU N N 104 128.859 128.859 117.111 11.748 18364 5141 1 9 . 1 1 104 104 LEU HA H 104 4.553 4.553 4.964 -0.411 18364 5142 1 9 . 1 1 104 104 LEU CA C 104 51.272 51.272 53.905 -2.633 18364 5143 1 9 . 1 1 104 104 LEU CB C 104 43.549 43.549 46.033 -2.484 18364 5144 1 9 . 1 1 104 104 LEU H H 104 9.271 9.271 8.844 0.427 18364 5145 1 9 . 1 1 105 105 GLU N N 105 125.663 125.663 119.028 6.635 18364 5146 1 9 . 1 1 105 105 GLU HA H 105 5.179 5.179 5.084 0.095 18364 5147 1 9 . 1 1 105 105 GLU CA C 105 51.966 51.966 55.303 -3.337 18364 5148 1 9 . 1 1 105 105 GLU CB C 105 29.358 29.358 32.910 -3.552 18364 5149 1 9 . 1 1 105 105 GLU H H 105 8.346 8.346 8.466 -0.120 18364 5150 1 9 . 1 1 106 106 LYS N N 106 123.659 123.659 120.484 3.175 18364 5151 1 9 . 1 1 106 106 LYS HA H 106 4.281 4.281 4.394 -0.113 18364 5152 1 9 . 1 1 106 106 LYS CA C 106 51.118 51.118 54.682 -3.564 18364 5153 1 9 . 1 1 106 106 LYS CB C 106 34.761 34.761 36.215 -1.454 18364 5154 1 9 . 1 1 106 106 LYS H H 106 8.526 8.526 8.209 0.317 18364 5155 1 9 . 1 1 107 107 GLU N N 107 121.917 121.917 119.576 2.341 18364 5156 1 9 . 1 1 107 107 GLU HA H 107 4.949 4.949 5.119 -0.170 18364 5157 1 9 . 1 1 107 107 GLU CA C 107 51.404 51.404 54.659 -3.255 18364 5158 1 9 . 1 1 107 107 GLU CB C 107 29.906 29.906 32.076 -2.170 18364 5159 1 9 . 1 1 107 107 GLU H H 107 7.773 7.773 7.942 -0.169 18364 5160 1 9 . 1 1 108 108 TYR N N 108 124.981 124.981 123.205 1.776 18364 5161 1 9 . 1 1 108 108 TYR HA H 108 4.720 4.720 4.848 -0.128 18364 5162 1 9 . 1 1 108 108 TYR CA C 108 54.188 54.188 56.754 -2.566 18364 5163 1 9 . 1 1 108 108 TYR CB C 108 39.101 39.101 42.871 -3.770 18364 5164 1 9 . 1 1 108 108 TYR H H 108 9.031 9.031 8.689 0.342 18364 5165 1 9 . 1 1 109 109 ILE N N 109 121.680 121.680 119.707 1.973 18364 5166 1 9 . 1 1 109 109 ILE HA H 109 5.471 5.471 5.029 0.442 18364 5167 1 9 . 1 1 109 109 ILE CA C 109 56.592 56.592 60.111 -3.519 18364 5168 1 9 . 1 1 109 109 ILE CB C 109 38.728 38.728 42.574 -3.846 18364 5169 1 9 . 1 1 109 109 ILE H H 109 8.475 8.475 8.443 0.032 18364 5170 1 9 . 1 1 110 110 THR N N 110 117.537 117.537 115.824 1.713 18364 5171 1 9 . 1 1 110 110 THR HA H 110 4.521 4.521 4.566 -0.045 18364 5172 1 9 . 1 1 110 110 THR CA C 110 59.337 59.337 61.580 -2.243 18364 5173 1 9 . 1 1 110 110 THR CB C 110 67.143 67.143 70.275 -3.132 18364 5174 1 9 . 1 1 110 110 THR H H 110 9.180 9.180 8.779 0.401 18364 5175 1 9 . 1 1 111 111 ASP N N 111 122.428 122.428 124.488 -2.060 18364 5176 1 9 . 1 1 111 111 ASP HA H 111 4.721 4.721 4.781 -0.060 18364 5177 1 9 . 1 1 111 111 ASP CA C 111 50.135 50.135 53.772 -3.637 18364 5178 1 9 . 1 1 111 111 ASP CB C 111 39.613 39.613 40.401 -0.788 18364 5179 1 9 . 1 1 111 111 ASP H H 111 9.342 9.342 8.833 0.509 18364 5180 1 9 . 1 1 112 112 GLY N N 112 110.714 110.714 107.569 3.145 18364 5181 1 9 . 1 1 112 112 GLY CA C 112 43.084 43.084 44.909 -1.825 18364 5182 1 9 . 1 1 112 112 GLY H H 112 8.333 8.333 8.285 0.048 18364 5183 1 9 . 1 1 113 113 ASN N N 113 119.462 119.462 118.875 0.587 18364 5184 1 9 . 1 1 113 113 ASN HA H 113 4.926 4.926 4.777 0.149 18364 5185 1 9 . 1 1 113 113 ASN CA C 113 49.373 49.373 52.957 -3.584 18364 5186 1 9 . 1 1 113 113 ASN CB C 113 37.377 37.377 38.869 -1.492 18364 5187 1 9 . 1 1 113 113 ASN H H 113 8.210 8.210 8.050 0.160 18364 5188 1 9 . 1 1 114 114 THR N N 114 117.962 117.962 115.961 2.001 18364 5189 1 9 . 1 1 114 114 THR HA H 114 4.136 4.136 4.190 -0.054 18364 5190 1 9 . 1 1 114 114 THR CA C 114 62.066 62.066 63.242 -1.176 18364 5191 1 9 . 1 1 114 114 THR CB C 114 66.489 66.489 68.966 -2.477 18364 5192 1 9 . 1 1 114 114 THR H H 114 8.436 8.436 8.344 0.092 18364 5193 1 9 . 1 1 115 115 LEU N N 115 132.998 132.998 129.361 3.637 18364 5194 1 9 . 1 1 115 115 LEU HA H 115 4.607 4.607 4.426 0.181 18364 5195 1 9 . 1 1 115 115 LEU CA C 115 52.335 52.335 55.502 -3.167 18364 5196 1 9 . 1 1 115 115 LEU CB C 115 41.546 41.546 43.006 -1.460 18364 5197 1 9 . 1 1 115 115 LEU H H 115 8.789 8.789 7.895 0.894 18364 5198 1 9 . 1 1 116 116 ILE N N 116 126.586 126.586 122.597 3.989 18364 5199 1 9 . 1 1 116 116 ILE HA H 116 4.784 4.784 5.037 -0.253 18364 5200 1 9 . 1 1 116 116 ILE CA C 116 58.270 58.270 59.727 -1.456 18364 5201 1 9 . 1 1 116 116 ILE CB C 116 37.909 37.909 42.668 -4.759 18364 5202 1 9 . 1 1 116 116 ILE H H 116 8.637 8.637 8.163 0.474 18364 5203 1 9 . 1 1 117 117 GLU N N 117 127.084 127.084 121.282 5.802 18364 5204 1 9 . 1 1 117 117 GLU HA H 117 4.830 4.830 4.768 0.062 18364 5205 1 9 . 1 1 117 117 GLU CA C 117 51.847 51.847 54.910 -3.063 18364 5206 1 9 . 1 1 117 117 GLU CB C 117 32.299 32.299 34.755 -2.456 18364 5207 1 9 . 1 1 117 117 GLU H H 117 8.933 8.933 8.768 0.165 18364 5208 1 9 . 1 1 118 118 THR N N 118 110.826 110.826 112.499 -1.673 18364 5209 1 9 . 1 1 118 118 THR HA H 118 5.190 5.190 4.427 0.763 18364 5210 1 9 . 1 1 118 118 THR CA C 118 57.036 57.036 60.648 -3.612 18364 5211 1 9 . 1 1 118 118 THR CB C 118 69.888 69.888 70.285 -0.397 18364 5212 1 9 . 1 1 118 118 THR H H 118 8.664 8.664 8.414 0.250 18364 5213 1 9 . 1 1 119 119 PHE N N 119 115.915 115.915 118.332 -2.417 18364 5214 1 9 . 1 1 119 119 PHE HA H 119 4.999 4.999 4.909 0.090 18364 5215 1 9 . 1 1 119 119 PHE CA C 119 53.804 53.804 56.708 -2.904 18364 5216 1 9 . 1 1 119 119 PHE CB C 119 39.787 39.787 41.447 -1.660 18364 5217 1 9 . 1 1 119 119 PHE H H 119 8.087 8.087 7.385 0.702 18364 5218 1 9 . 1 1 120 120 SER N N 120 114.953 114.953 115.172 -0.219 18364 5219 1 9 . 1 1 120 120 SER HA H 120 5.383 5.383 5.212 0.171 18364 5220 1 9 . 1 1 120 120 SER CA C 120 55.192 55.192 58.190 -2.998 18364 5221 1 9 . 1 1 120 120 SER CB C 120 62.113 62.113 65.642 -3.529 18364 5222 1 9 . 1 1 120 120 SER H H 120 8.627 8.627 8.494 0.133 18364 5223 1 9 . 1 1 121 121 VAL N N 121 124.122 124.122 126.121 -1.999 18364 5224 1 9 . 1 1 121 121 VAL HA H 121 4.349 4.349 4.468 -0.119 18364 5225 1 9 . 1 1 121 121 VAL CA C 121 59.005 59.005 62.020 -3.015 18364 5226 1 9 . 1 1 121 121 VAL CB C 121 34.127 34.127 33.796 0.331 18364 5227 1 9 . 1 1 121 121 VAL H H 121 8.866 8.866 8.972 -0.106 18364 5228 1 9 . 1 1 122 122 SER N N 122 119.703 119.703 122.336 -2.633 18364 5229 1 9 . 1 1 122 122 SER HA H 122 5.598 5.598 5.089 0.509 18364 5230 1 9 . 1 1 122 122 SER CA C 122 53.065 53.065 58.133 -5.068 18364 5231 1 9 . 1 1 122 122 SER CB C 122 63.442 63.442 64.758 -1.316 18364 5232 1 9 . 1 1 122 122 SER H H 122 8.334 8.334 8.752 -0.418 18364 5233 1 9 . 1 1 123 123 THR N N 123 113.276 113.276 113.248 0.028 18364 5234 1 9 . 1 1 123 123 THR HA H 123 4.093 4.093 4.395 -0.302 18364 5235 1 9 . 1 1 123 123 THR CA C 123 60.143 60.143 62.854 -2.711 18364 5236 1 9 . 1 1 123 123 THR CB C 123 64.437 64.437 69.801 -5.364 18364 5237 1 9 . 1 1 123 123 THR H H 123 8.898 8.898 8.870 0.028 18364 5238 1 9 . 1 1 124 124 LYS N N 124 119.191 119.191 121.156 -1.965 18364 5239 1 9 . 1 1 124 124 LYS HA H 124 4.324 4.324 4.525 -0.201 18364 5240 1 9 . 1 1 124 124 LYS CA C 124 53.486 53.486 56.564 -3.078 18364 5241 1 9 . 1 1 124 124 LYS CB C 124 32.376 32.376 34.905 -2.529 18364 5242 1 9 . 1 1 124 124 LYS H H 124 7.569 7.569 7.991 -0.422 18364 5243 1 9 . 1 1 125 125 GLU N N 125 124.243 124.243 123.864 0.379 18364 5244 1 9 . 1 1 125 125 GLU HA H 125 4.255 4.255 4.504 -0.249 18364 5245 1 9 . 1 1 125 125 GLU CA C 125 53.830 53.830 56.115 -2.285 18364 5246 1 9 . 1 1 125 125 GLU CB C 125 27.674 27.674 31.101 -3.427 18364 5247 1 9 . 1 1 125 125 GLU H H 125 8.359 8.359 8.145 0.214 18364 5248 1 10 . 1 1 2 2 ALA CA C 2 50.698 50.698 51.960 -1.262 18364 5249 1 10 . 1 1 2 2 ALA CB C 2 16.688 16.688 20.755 -4.067 18364 5250 1 10 . 1 1 3 3 SER N N 3 113.663 113.663 113.132 0.531 18364 5251 1 10 . 1 1 3 3 SER HA H 3 4.296 4.296 4.306 -0.011 18364 5252 1 10 . 1 1 3 3 SER CA C 3 55.573 55.573 57.860 -2.287 18364 5253 1 10 . 1 1 3 3 SER CB C 3 60.888 60.888 63.631 -2.743 18364 5254 1 10 . 1 1 3 3 SER H H 3 8.301 8.301 8.450 -0.149 18364 5255 1 10 . 1 1 4 4 ASP N N 4 121.532 121.532 121.239 0.293 18364 5256 1 10 . 1 1 4 4 ASP HA H 4 4.394 4.394 4.584 -0.190 18364 5257 1 10 . 1 1 4 4 ASP CA C 4 51.748 51.748 53.319 -1.571 18364 5258 1 10 . 1 1 4 4 ASP CB C 4 38.614 38.614 38.721 -0.107 18364 5259 1 10 . 1 1 4 4 ASP H H 4 7.874 7.874 7.747 0.127 18364 5260 1 10 . 1 1 5 5 PHE N N 5 119.126 119.126 121.894 -2.768 18364 5261 1 10 . 1 1 5 5 PHE HA H 5 4.535 4.535 4.762 -0.227 18364 5262 1 10 . 1 1 5 5 PHE CA C 5 54.589 54.589 57.335 -2.746 18364 5263 1 10 . 1 1 5 5 PHE CB C 5 37.079 37.079 40.135 -3.056 18364 5264 1 10 . 1 1 5 5 PHE H H 5 7.832 7.832 7.767 0.065 18364 5265 1 10 . 1 1 6 6 GLN N N 6 122.092 122.092 125.364 -3.272 18364 5266 1 10 . 1 1 6 6 GLN HA H 6 4.417 4.417 4.805 -0.388 18364 5267 1 10 . 1 1 6 6 GLN CA C 6 53.128 53.128 55.168 -2.040 18364 5268 1 10 . 1 1 6 6 GLN CB C 6 27.477 27.477 29.237 -1.760 18364 5269 1 10 . 1 1 6 6 GLN H H 6 8.447 8.447 8.735 -0.288 18364 5270 1 10 . 1 1 7 7 THR N N 7 114.717 114.717 113.611 1.106 18364 5271 1 10 . 1 1 7 7 THR HA H 7 5.035 5.035 4.741 0.294 18364 5272 1 10 . 1 1 7 7 THR CA C 7 57.906 57.906 61.035 -3.129 18364 5273 1 10 . 1 1 7 7 THR CB C 7 68.370 68.370 71.273 -2.903 18364 5274 1 10 . 1 1 7 7 THR H H 7 8.145 8.145 8.096 0.049 18364 5275 1 10 . 1 1 8 8 GLY N N 8 111.628 111.628 108.710 2.918 18364 5276 1 10 . 1 1 8 8 GLY CA C 8 43.774 43.774 45.258 -1.484 18364 5277 1 10 . 1 1 8 8 GLY H H 8 9.234 9.234 8.587 0.647 18364 5278 1 10 . 1 1 9 9 ILE N N 9 119.585 119.585 123.206 -3.621 18364 5279 1 10 . 1 1 9 9 ILE HA H 9 3.934 3.934 4.371 -0.437 18364 5280 1 10 . 1 1 9 9 ILE CA C 9 58.907 58.907 60.365 -1.458 18364 5281 1 10 . 1 1 9 9 ILE CB C 9 35.738 35.738 39.754 -4.016 18364 5282 1 10 . 1 1 9 9 ILE H H 9 8.603 8.603 8.180 0.423 18364 5283 1 10 . 1 1 10 10 HIS N N 10 133.616 133.616 127.667 5.949 18364 5284 1 10 . 1 1 10 10 HIS HA H 10 5.185 5.185 4.830 0.355 18364 5285 1 10 . 1 1 10 10 HIS CA C 10 53.587 53.587 57.398 -3.811 18364 5286 1 10 . 1 1 10 10 HIS CB C 10 30.817 30.817 30.918 -0.101 18364 5287 1 10 . 1 1 10 10 HIS H H 10 8.599 8.599 8.954 -0.355 18364 5288 1 10 . 1 1 11 11 LYS N N 11 122.949 122.949 120.999 1.950 18364 5289 1 10 . 1 1 11 11 LYS HA H 11 5.236 5.236 5.223 0.013 18364 5290 1 10 . 1 1 11 11 LYS CA C 11 52.748 52.748 54.743 -1.995 18364 5291 1 10 . 1 1 11 11 LYS CB C 11 35.137 35.137 36.407 -1.270 18364 5292 1 10 . 1 1 11 11 LYS H H 11 8.775 8.775 8.105 0.670 18364 5293 1 10 . 1 1 12 12 ILE N N 12 125.260 125.260 122.315 2.945 18364 5294 1 10 . 1 1 12 12 ILE HA H 12 5.273 5.273 5.115 0.158 18364 5295 1 10 . 1 1 12 12 ILE CA C 12 55.780 55.780 59.275 -3.495 18364 5296 1 10 . 1 1 12 12 ILE CB C 12 38.767 38.767 42.367 -3.600 18364 5297 1 10 . 1 1 12 12 ILE H H 12 8.578 8.578 8.561 0.017 18364 5298 1 10 . 1 1 13 13 VAL N N 13 126.515 126.515 123.728 2.787 18364 5299 1 10 . 1 1 13 13 VAL HA H 13 4.795 4.795 4.867 -0.072 18364 5300 1 10 . 1 1 13 13 VAL CA C 13 58.115 58.115 60.915 -2.800 18364 5301 1 10 . 1 1 13 13 VAL CB C 13 32.948 32.948 35.898 -2.950 18364 5302 1 10 . 1 1 13 13 VAL H H 13 9.052 9.052 8.929 0.123 18364 5303 1 10 . 1 1 14 14 ILE N N 14 125.803 125.803 125.230 0.573 18364 5304 1 10 . 1 1 14 14 ILE HA H 14 5.008 5.008 5.069 -0.061 18364 5305 1 10 . 1 1 14 14 ILE CA C 14 57.539 57.539 60.135 -2.596 18364 5306 1 10 . 1 1 14 14 ILE CB C 14 38.656 38.656 41.889 -3.233 18364 5307 1 10 . 1 1 14 14 ILE H H 14 8.974 8.974 8.468 0.506 18364 5308 1 10 . 1 1 15 15 GLN N N 15 125.773 125.773 123.489 2.284 18364 5309 1 10 . 1 1 15 15 GLN HA H 15 5.433 5.433 5.556 -0.123 18364 5310 1 10 . 1 1 15 15 GLN CA C 15 51.002 51.002 53.804 -2.802 18364 5311 1 10 . 1 1 15 15 GLN CB C 15 29.637 29.637 33.576 -3.939 18364 5312 1 10 . 1 1 15 15 GLN H H 15 9.244 9.244 9.113 0.131 18364 5313 1 10 . 1 1 16 16 GLN N N 16 119.832 119.832 118.800 1.032 18364 5314 1 10 . 1 1 16 16 GLN HA H 16 5.741 5.741 5.576 0.165 18364 5315 1 10 . 1 1 16 16 GLN CA C 16 50.572 50.572 54.179 -3.607 18364 5316 1 10 . 1 1 16 16 GLN CB C 16 30.039 30.039 32.939 -2.900 18364 5317 1 10 . 1 1 16 16 GLN H H 16 8.964 8.964 8.208 0.756 18364 5318 1 10 . 1 1 17 17 SER N N 17 115.201 115.201 116.134 -0.933 18364 5319 1 10 . 1 1 17 17 SER HA H 17 4.526 4.526 4.757 -0.231 18364 5320 1 10 . 1 1 17 17 SER CA C 17 54.831 54.831 57.522 -2.691 18364 5321 1 10 . 1 1 17 17 SER CB C 17 62.930 62.930 66.045 -3.115 18364 5322 1 10 . 1 1 17 17 SER H H 17 8.770 8.770 8.697 0.073 18364 5323 1 10 . 1 1 18 18 GLY N N 18 109.321 109.321 109.199 0.122 18364 5324 1 10 . 1 1 18 18 GLY CA C 18 41.737 41.737 44.670 -2.933 18364 5325 1 10 . 1 1 18 18 GLY H H 18 8.798 8.798 8.414 0.384 18364 5326 1 10 . 1 1 19 19 ASP N N 19 128.121 128.121 123.765 4.356 18364 5327 1 10 . 1 1 19 19 ASP HA H 19 5.071 5.071 4.789 0.282 18364 5328 1 10 . 1 1 19 19 ASP CA C 19 51.251 51.251 53.582 -2.331 18364 5329 1 10 . 1 1 19 19 ASP CB C 19 37.872 37.872 39.501 -1.629 18364 5330 1 10 . 1 1 19 19 ASP H H 19 9.708 9.708 8.524 1.184 18364 5331 1 10 . 1 1 20 20 THR N N 20 111.610 111.610 112.232 -0.622 18364 5332 1 10 . 1 1 20 20 THR HA H 20 3.615 3.615 3.140 0.475 18364 5333 1 10 . 1 1 20 20 THR CA C 20 63.331 63.331 63.075 0.256 18364 5334 1 10 . 1 1 20 20 THR CB C 20 64.873 64.873 67.990 -3.117 18364 5335 1 10 . 1 1 20 20 THR H H 20 8.136 8.136 7.801 0.335 18364 5336 1 10 . 1 1 21 21 ASP N N 21 118.304 118.304 120.640 -2.336 18364 5337 1 10 . 1 1 21 21 ASP HA H 21 4.639 4.639 4.787 -0.148 18364 5338 1 10 . 1 1 21 21 ASP CA C 21 52.945 52.945 55.669 -2.724 18364 5339 1 10 . 1 1 21 21 ASP CB C 21 37.785 37.785 41.268 -3.483 18364 5340 1 10 . 1 1 21 21 ASP H H 21 8.566 8.566 7.518 1.048 18364 5341 1 10 . 1 1 22 22 SER N N 22 114.253 114.253 114.592 -0.339 18364 5342 1 10 . 1 1 22 22 SER HA H 22 4.384 4.384 4.685 -0.301 18364 5343 1 10 . 1 1 22 22 SER CA C 22 57.170 57.170 57.938 -0.768 18364 5344 1 10 . 1 1 22 22 SER CB C 22 61.441 61.441 64.043 -2.602 18364 5345 1 10 . 1 1 22 22 SER H H 22 8.076 8.076 7.696 0.380 18364 5346 1 10 . 1 1 23 23 PHE N N 23 119.853 119.853 118.305 1.548 18364 5347 1 10 . 1 1 23 23 PHE HA H 23 5.010 5.010 5.632 -0.622 18364 5348 1 10 . 1 1 23 23 PHE CA C 23 53.272 53.272 54.757 -1.484 18364 5349 1 10 . 1 1 23 23 PHE CB C 23 42.021 42.021 41.899 0.122 18364 5350 1 10 . 1 1 23 23 PHE H H 23 7.611 7.611 7.954 -0.343 18364 5351 1 10 . 1 1 24 24 GLU N N 24 119.255 119.255 120.528 -1.273 18364 5352 1 10 . 1 1 24 24 GLU HA H 24 4.571 4.571 4.415 0.156 18364 5353 1 10 . 1 1 24 24 GLU CA C 24 52.642 52.642 55.014 -2.372 18364 5354 1 10 . 1 1 24 24 GLU CB C 24 28.881 28.881 33.435 -4.554 18364 5355 1 10 . 1 1 24 24 GLU H H 24 8.958 8.958 8.723 0.235 18364 5356 1 10 . 1 1 25 25 VAL N N 25 130.637 130.637 125.189 5.448 18364 5357 1 10 . 1 1 25 25 VAL HA H 25 4.859 4.859 4.678 0.181 18364 5358 1 10 . 1 1 25 25 VAL CA C 25 58.548 58.548 61.726 -3.178 18364 5359 1 10 . 1 1 25 25 VAL CB C 25 30.439 30.439 33.588 -3.149 18364 5360 1 10 . 1 1 25 25 VAL H H 25 9.678 9.678 8.409 1.269 18364 5361 1 10 . 1 1 26 26 SER N N 26 122.555 122.555 123.302 -0.747 18364 5362 1 10 . 1 1 26 26 SER HA H 26 5.289 5.289 5.203 0.086 18364 5363 1 10 . 1 1 26 26 SER CA C 26 54.088 54.088 57.420 -3.332 18364 5364 1 10 . 1 1 26 26 SER CB C 26 62.476 62.476 64.699 -2.223 18364 5365 1 10 . 1 1 26 26 SER H H 26 8.883 8.883 8.339 0.544 18364 5366 1 10 . 1 1 27 27 VAL N N 27 113.682 113.682 121.180 -7.498 18364 5367 1 10 . 1 1 27 27 VAL HA H 27 5.269 5.269 4.713 0.556 18364 5368 1 10 . 1 1 27 27 VAL CA C 27 56.005 56.005 59.596 -3.591 18364 5369 1 10 . 1 1 27 27 VAL CB C 27 34.158 34.158 33.325 0.833 18364 5370 1 10 . 1 1 27 27 VAL H H 27 8.493 8.493 9.154 -0.661 18364 5371 1 10 . 1 1 28 28 SER N N 28 116.852 116.852 120.589 -3.737 18364 5372 1 10 . 1 1 28 28 SER HA H 28 5.410 5.410 4.605 0.805 18364 5373 1 10 . 1 1 28 28 SER CA C 28 54.633 54.633 58.845 -4.212 18364 5374 1 10 . 1 1 28 28 SER CB C 28 62.095 62.095 63.845 -1.750 18364 5375 1 10 . 1 1 28 28 SER H H 28 8.709 8.709 8.832 -0.123 18364 5376 1 10 . 1 1 29 29 ILE N N 29 128.765 128.765 128.060 0.705 18364 5377 1 10 . 1 1 29 29 ILE HA H 29 5.224 5.224 4.656 0.568 18364 5378 1 10 . 1 1 29 29 ILE CA C 29 57.247 57.247 60.124 -2.877 18364 5379 1 10 . 1 1 29 29 ILE CB C 29 39.144 39.144 39.576 -0.432 18364 5380 1 10 . 1 1 29 29 ILE H H 29 9.631 9.631 8.687 0.944 18364 5381 1 10 . 1 1 30 30 GLY N N 30 112.478 112.478 113.494 -1.016 18364 5382 1 10 . 1 1 30 30 GLY CA C 30 42.140 42.140 44.033 -1.893 18364 5383 1 10 . 1 1 30 30 GLY H H 30 8.095 8.095 7.805 0.290 18364 5384 1 10 . 1 1 31 31 GLY N N 31 108.502 108.502 104.701 3.801 18364 5385 1 10 . 1 1 31 31 GLY CA C 31 43.201 43.201 45.254 -2.053 18364 5386 1 10 . 1 1 31 31 GLY H H 31 9.755 9.755 8.164 1.591 18364 5387 1 10 . 1 1 32 32 ALA N N 32 122.020 122.020 120.485 1.535 18364 5388 1 10 . 1 1 32 32 ALA HA H 32 4.967 4.967 5.332 -0.365 18364 5389 1 10 . 1 1 32 32 ALA CA C 32 48.540 48.540 49.972 -1.432 18364 5390 1 10 . 1 1 32 32 ALA CB C 32 21.078 21.078 22.997 -1.919 18364 5391 1 10 . 1 1 32 32 ALA H H 32 7.338 7.338 7.018 0.320 18364 5392 1 10 . 1 1 33 33 ASP N N 33 121.217 121.217 118.756 2.461 18364 5393 1 10 . 1 1 33 33 ASP HA H 33 3.680 3.680 4.557 -0.877 18364 5394 1 10 . 1 1 33 33 ASP CA C 33 49.520 49.520 52.064 -2.544 18364 5395 1 10 . 1 1 33 33 ASP CB C 33 40.840 40.840 43.825 -2.985 18364 5396 1 10 . 1 1 33 33 ASP H H 33 8.945 8.945 9.010 -0.065 18364 5397 1 10 . 1 1 34 34 LYS N N 34 117.693 117.693 121.215 -3.522 18364 5398 1 10 . 1 1 34 34 LYS HA H 34 4.017 4.017 4.337 -0.320 18364 5399 1 10 . 1 1 34 34 LYS CA C 34 56.700 56.700 56.353 0.347 18364 5400 1 10 . 1 1 34 34 LYS CB C 34 29.772 29.772 31.372 -1.599 18364 5401 1 10 . 1 1 34 34 LYS H H 34 8.200 8.200 8.146 0.054 18364 5402 1 10 . 1 1 35 35 GLY N N 35 106.697 106.697 111.711 -5.014 18364 5403 1 10 . 1 1 35 35 GLY CA C 35 42.719 42.719 44.872 -2.153 18364 5404 1 10 . 1 1 35 35 GLY H H 35 8.653 8.653 8.389 0.264 18364 5405 1 10 . 1 1 36 36 GLY N N 36 110.824 110.824 109.234 1.590 18364 5406 1 10 . 1 1 36 36 GLY CA C 36 41.099 41.099 45.388 -4.289 18364 5407 1 10 . 1 1 36 36 GLY H H 36 7.601 7.601 8.464 -0.863 18364 5408 1 10 . 1 1 37 37 PRO HA H 37 4.571 4.571 4.649 -0.078 18364 5409 1 10 . 1 1 37 37 PRO CA C 37 60.012 60.012 62.450 -2.438 18364 5410 1 10 . 1 1 37 37 PRO CB C 37 29.470 29.470 32.384 -2.914 18364 5411 1 10 . 1 1 38 38 ALA N N 38 127.841 127.841 126.250 1.591 18364 5412 1 10 . 1 1 38 38 ALA HA H 38 4.127 4.127 4.405 -0.278 18364 5413 1 10 . 1 1 38 38 ALA CA C 38 48.117 48.117 51.194 -3.077 18364 5414 1 10 . 1 1 38 38 ALA CB C 38 16.655 16.655 19.544 -2.889 18364 5415 1 10 . 1 1 38 38 ALA H H 38 7.486 7.486 8.252 -0.766 18364 5416 1 10 . 1 1 39 39 LYS N N 39 121.148 121.148 125.986 -4.838 18364 5417 1 10 . 1 1 39 39 LYS HA H 39 4.115 4.115 4.356 -0.241 18364 5418 1 10 . 1 1 39 39 LYS CA C 39 55.674 55.674 56.945 -1.271 18364 5419 1 10 . 1 1 39 39 LYS CB C 39 31.223 31.223 31.839 -0.616 18364 5420 1 10 . 1 1 39 39 LYS H H 39 8.042 8.042 8.614 -0.572 18364 5421 1 10 . 1 1 40 40 LEU N N 40 118.817 118.817 123.842 -5.025 18364 5422 1 10 . 1 1 40 40 LEU HA H 40 5.122 5.122 4.968 0.154 18364 5423 1 10 . 1 1 40 40 LEU CA C 40 50.156 50.156 53.226 -3.070 18364 5424 1 10 . 1 1 40 40 LEU CB C 40 42.172 42.172 42.771 -0.599 18364 5425 1 10 . 1 1 40 40 LEU H H 40 7.901 7.901 8.562 -0.661 18364 5426 1 10 . 1 1 41 41 TYR N N 41 117.843 117.843 117.701 0.142 18364 5427 1 10 . 1 1 41 41 TYR HA H 41 5.303 5.303 5.070 0.233 18364 5428 1 10 . 1 1 41 41 TYR CA C 41 53.394 53.394 56.766 -3.372 18364 5429 1 10 . 1 1 41 41 TYR CB C 41 39.419 39.419 41.888 -2.469 18364 5430 1 10 . 1 1 41 41 TYR H H 41 9.109 9.109 9.201 -0.092 18364 5431 1 10 . 1 1 42 42 ASN N N 42 117.689 117.689 120.717 -3.028 18364 5432 1 10 . 1 1 42 42 ASN HA H 42 4.984 4.984 4.824 0.160 18364 5433 1 10 . 1 1 42 42 ASN CA C 42 48.001 48.001 52.449 -4.447 18364 5434 1 10 . 1 1 42 42 ASN CB C 42 36.514 36.514 39.565 -3.051 18364 5435 1 10 . 1 1 42 42 ASN H H 42 8.239 8.239 8.901 -0.662 18364 5436 1 10 . 1 1 43 43 ASP N N 43 116.760 116.760 119.638 -2.878 18364 5437 1 10 . 1 1 43 43 ASP HA H 43 4.170 4.170 4.524 -0.354 18364 5438 1 10 . 1 1 43 43 ASP CA C 43 53.123 53.123 55.722 -2.599 18364 5439 1 10 . 1 1 43 43 ASP CB C 43 37.355 37.355 40.519 -3.164 18364 5440 1 10 . 1 1 43 43 ASP H H 43 8.650 8.650 8.806 -0.156 18364 5441 1 10 . 1 1 44 44 LYS N N 44 118.108 118.108 117.760 0.348 18364 5442 1 10 . 1 1 44 44 LYS HA H 44 4.359 4.359 4.340 0.019 18364 5443 1 10 . 1 1 44 44 LYS CA C 44 52.676 52.676 56.287 -3.611 18364 5444 1 10 . 1 1 44 44 LYS CB C 44 30.170 30.170 33.221 -3.051 18364 5445 1 10 . 1 1 44 44 LYS H H 44 7.505 7.505 7.944 -0.439 18364 5446 1 10 . 1 1 45 45 GLY N N 45 108.163 108.163 107.961 0.202 18364 5447 1 10 . 1 1 45 45 GLY CA C 45 42.988 42.988 45.150 -2.162 18364 5448 1 10 . 1 1 45 45 GLY H H 45 8.117 8.117 8.160 -0.043 18364 5449 1 10 . 1 1 46 46 GLU N N 46 120.173 120.173 119.189 0.984 18364 5450 1 10 . 1 1 46 46 GLU HA H 46 4.345 4.345 4.757 -0.412 18364 5451 1 10 . 1 1 46 46 GLU CA C 46 52.409 52.409 54.931 -2.522 18364 5452 1 10 . 1 1 46 46 GLU CB C 46 27.408 27.408 32.863 -5.455 18364 5453 1 10 . 1 1 46 46 GLU H H 46 7.884 7.884 7.891 -0.007 18364 5454 1 10 . 1 1 47 47 TYR N N 47 123.803 123.803 124.797 -0.994 18364 5455 1 10 . 1 1 47 47 TYR HA H 47 4.351 4.351 4.031 0.320 18364 5456 1 10 . 1 1 47 47 TYR CA C 47 54.317 54.317 58.490 -4.173 18364 5457 1 10 . 1 1 47 47 TYR CB C 47 35.858 35.858 38.386 -2.528 18364 5458 1 10 . 1 1 47 47 TYR H H 47 8.710 8.710 8.731 -0.021 18364 5459 1 10 . 1 1 48 48 ILE N N 48 123.458 123.458 122.629 0.829 18364 5460 1 10 . 1 1 48 48 ILE HA H 48 4.173 4.173 4.263 -0.090 18364 5461 1 10 . 1 1 48 48 ILE CA C 48 58.314 58.314 60.410 -2.096 18364 5462 1 10 . 1 1 48 48 ILE CB C 48 36.129 36.129 39.077 -2.948 18364 5463 1 10 . 1 1 48 48 ILE H H 48 8.416 8.416 7.788 0.628 18364 5464 1 10 . 1 1 49 49 GLY N N 49 107.257 107.257 109.343 -2.086 18364 5465 1 10 . 1 1 49 49 GLY CA C 49 41.367 41.367 45.126 -3.759 18364 5466 1 10 . 1 1 49 49 GLY H H 49 5.472 5.472 6.569 -1.097 18364 5467 1 10 . 1 1 50 50 ASP N N 50 116.887 116.887 118.668 -1.781 18364 5468 1 10 . 1 1 50 50 ASP HA H 50 5.043 5.043 5.088 -0.045 18364 5469 1 10 . 1 1 50 50 ASP CA C 50 50.588 50.588 53.157 -2.569 18364 5470 1 10 . 1 1 50 50 ASP CB C 50 37.448 37.448 41.195 -3.747 18364 5471 1 10 . 1 1 50 50 ASP H H 50 8.234 8.234 8.631 -0.397 18364 5472 1 10 . 1 1 51 51 SER N N 51 112.664 112.664 112.869 -0.205 18364 5473 1 10 . 1 1 51 51 SER HA H 51 4.439 4.439 4.662 -0.223 18364 5474 1 10 . 1 1 51 51 SER CA C 51 55.489 55.489 58.132 -2.643 18364 5475 1 10 . 1 1 51 51 SER CB C 51 61.559 61.559 64.358 -2.799 18364 5476 1 10 . 1 1 51 51 SER H H 51 7.689 7.689 7.387 0.302 18364 5477 1 10 . 1 1 52 52 TYR N N 52 122.672 122.672 121.338 1.334 18364 5478 1 10 . 1 1 52 52 TYR HA H 52 4.732 4.732 4.739 -0.007 18364 5479 1 10 . 1 1 52 52 TYR CA C 52 55.168 55.168 57.499 -2.331 18364 5480 1 10 . 1 1 52 52 TYR CB C 52 38.599 38.599 39.054 -0.455 18364 5481 1 10 . 1 1 52 52 TYR H H 52 8.231 8.231 7.984 0.247 18364 5482 1 10 . 1 1 53 53 SER N N 53 123.803 123.803 116.173 7.630 18364 5483 1 10 . 1 1 53 53 SER HA H 53 5.429 5.429 5.441 -0.012 18364 5484 1 10 . 1 1 53 53 SER CA C 53 53.508 53.508 57.200 -3.692 18364 5485 1 10 . 1 1 53 53 SER CB C 53 61.674 61.674 65.835 -4.162 18364 5486 1 10 . 1 1 53 53 SER H H 53 8.008 8.008 8.492 -0.484 18364 5487 1 10 . 1 1 54 54 ALA N N 54 125.516 125.516 127.601 -2.085 18364 5488 1 10 . 1 1 54 54 ALA HA H 54 4.289 4.289 4.669 -0.380 18364 5489 1 10 . 1 1 54 54 ALA CA C 54 49.097 49.097 50.970 -1.873 18364 5490 1 10 . 1 1 54 54 ALA CB C 54 20.259 20.259 21.027 -0.768 18364 5491 1 10 . 1 1 54 54 ALA H H 54 8.089 8.089 8.806 -0.717 18364 5492 1 10 . 1 1 55 55 GLN N N 55 118.838 118.838 121.225 -2.387 18364 5493 1 10 . 1 1 55 55 GLN HA H 55 4.975 4.975 5.066 -0.091 18364 5494 1 10 . 1 1 55 55 GLN CA C 55 52.306 52.306 54.381 -2.075 18364 5495 1 10 . 1 1 55 55 GLN CB C 55 26.138 26.138 30.820 -4.681 18364 5496 1 10 . 1 1 55 55 GLN H H 55 8.100 8.100 8.549 -0.449 18364 5497 1 10 . 1 1 56 56 ILE N N 56 124.748 124.748 124.552 0.196 18364 5498 1 10 . 1 1 56 56 ILE HA H 56 4.246 4.246 4.176 0.070 18364 5499 1 10 . 1 1 56 56 ILE CA C 56 57.529 57.529 60.293 -2.764 18364 5500 1 10 . 1 1 56 56 ILE CB C 56 34.915 34.915 36.340 -1.425 18364 5501 1 10 . 1 1 56 56 ILE H H 56 8.910 8.910 8.539 0.371 18364 5502 1 10 . 1 1 57 57 ARG N N 57 127.183 127.183 124.832 2.351 18364 5503 1 10 . 1 1 57 57 ARG HA H 57 4.777 4.777 4.739 0.038 18364 5504 1 10 . 1 1 57 57 ARG CA C 57 52.455 52.455 55.639 -3.184 18364 5505 1 10 . 1 1 57 57 ARG CB C 57 28.839 28.839 31.446 -2.607 18364 5506 1 10 . 1 1 57 57 ARG H H 57 8.979 8.979 8.637 0.342 18364 5507 1 10 . 1 1 58 58 THR N N 58 109.995 109.995 109.424 0.571 18364 5508 1 10 . 1 1 58 58 THR HA H 58 4.529 4.529 4.677 -0.148 18364 5509 1 10 . 1 1 58 58 THR CA C 58 57.124 57.124 59.614 -2.490 18364 5510 1 10 . 1 1 58 58 THR CB C 58 68.143 68.143 71.760 -3.617 18364 5511 1 10 . 1 1 58 58 THR H H 58 7.150 7.150 7.515 -0.365 18364 5512 1 10 . 1 1 59 59 ALA N N 59 123.143 123.143 123.400 -0.257 18364 5513 1 10 . 1 1 59 59 ALA HA H 59 4.167 4.167 4.149 0.018 18364 5514 1 10 . 1 1 59 59 ALA CA C 59 52.603 52.603 54.249 -1.646 18364 5515 1 10 . 1 1 59 59 ALA CB C 59 16.910 16.910 18.970 -2.060 18364 5516 1 10 . 1 1 59 59 ALA H H 59 8.531 8.531 8.500 0.031 18364 5517 1 10 . 1 1 60 60 THR N N 60 105.988 105.988 107.721 -1.733 18364 5518 1 10 . 1 1 60 60 THR HA H 60 5.471 5.471 4.926 0.545 18364 5519 1 10 . 1 1 60 60 THR CA C 60 56.904 56.904 60.892 -3.988 18364 5520 1 10 . 1 1 60 60 THR CB C 60 69.111 69.111 71.001 -1.889 18364 5521 1 10 . 1 1 60 60 THR H H 60 7.521 7.521 7.621 -0.100 18364 5522 1 10 . 1 1 61 61 MET N N 61 124.706 124.706 123.741 0.965 18364 5523 1 10 . 1 1 61 61 MET HA H 61 4.641 4.641 4.932 -0.291 18364 5524 1 10 . 1 1 61 61 MET CA C 61 52.883 52.883 54.233 -1.350 18364 5525 1 10 . 1 1 61 61 MET CB C 61 32.345 32.345 36.739 -4.394 18364 5526 1 10 . 1 1 61 61 MET H H 61 8.758 8.758 9.386 -0.628 18364 5527 1 10 . 1 1 62 62 SER N N 62 117.004 117.004 114.935 2.069 18364 5528 1 10 . 1 1 62 62 SER HA H 62 5.551 5.551 5.350 0.201 18364 5529 1 10 . 1 1 62 62 SER CA C 62 54.255 54.255 57.740 -3.485 18364 5530 1 10 . 1 1 62 62 SER CB C 62 64.130 64.130 65.986 -1.856 18364 5531 1 10 . 1 1 62 62 SER H H 62 8.164 8.164 8.526 -0.362 18364 5532 1 10 . 1 1 63 63 CYS N N 63 120.270 120.270 117.167 3.103 18364 5533 1 10 . 1 1 63 63 CYS HA H 63 5.075 5.075 5.303 -0.228 18364 5534 1 10 . 1 1 63 63 CYS CA C 63 54.676 54.676 57.153 -2.477 18364 5535 1 10 . 1 1 63 63 CYS CB C 63 28.679 28.679 32.193 -3.514 18364 5536 1 10 . 1 1 63 63 CYS H H 63 8.537 8.537 8.296 0.241 18364 5537 1 10 . 1 1 64 64 CYS N N 64 120.868 120.868 116.295 4.573 18364 5538 1 10 . 1 1 64 64 CYS HA H 64 5.918 5.918 5.402 0.516 18364 5539 1 10 . 1 1 64 64 CYS CA C 64 53.204 53.204 56.036 -2.832 18364 5540 1 10 . 1 1 64 64 CYS CB C 64 30.216 30.216 31.542 -1.326 18364 5541 1 10 . 1 1 64 64 CYS H H 64 9.307 9.307 8.974 0.333 18364 5542 1 10 . 1 1 65 65 THR N N 65 109.830 109.830 113.563 -3.733 18364 5543 1 10 . 1 1 65 65 THR HA H 65 5.426 5.426 5.162 0.264 18364 5544 1 10 . 1 1 65 65 THR CA C 65 58.465 58.465 59.194 -0.729 18364 5545 1 10 . 1 1 65 65 THR CB C 65 69.665 69.665 70.990 -1.325 18364 5546 1 10 . 1 1 65 65 THR H H 65 8.447 8.447 8.129 0.318 18364 5547 1 10 . 1 1 66 66 ASN N N 66 114.459 114.459 118.625 -4.166 18364 5548 1 10 . 1 1 66 66 ASN HA H 66 4.656 4.656 4.588 0.068 18364 5549 1 10 . 1 1 66 66 ASN CA C 66 49.879 49.879 52.399 -2.520 18364 5550 1 10 . 1 1 66 66 ASN CB C 66 36.267 36.267 39.156 -2.889 18364 5551 1 10 . 1 1 66 66 ASN H H 66 9.300 9.300 8.437 0.863 18364 5552 1 10 . 1 1 67 67 GLY N N 67 103.647 103.647 106.099 -2.452 18364 5553 1 10 . 1 1 67 67 GLY CA C 67 43.796 43.796 45.052 -1.256 18364 5554 1 10 . 1 1 67 67 GLY H H 67 8.237 8.237 8.447 -0.210 18364 5555 1 10 . 1 1 69 69 ALA N N 69 121.911 121.911 121.670 0.241 18364 5556 1 10 . 1 1 69 69 ALA HA H 69 4.244 4.244 4.243 0.001 18364 5557 1 10 . 1 1 69 69 ALA CA C 69 49.758 49.758 51.379 -1.621 18364 5558 1 10 . 1 1 69 69 ALA CB C 69 17.376 17.376 20.092 -2.716 18364 5559 1 10 . 1 1 69 69 ALA H H 69 7.677 7.677 7.176 0.501 18364 5560 1 10 . 1 1 70 70 PHE N N 70 114.118 114.118 115.548 -1.430 18364 5561 1 10 . 1 1 70 70 PHE HA H 70 4.965 4.965 4.900 0.065 18364 5562 1 10 . 1 1 70 70 PHE CA C 70 53.129 53.129 57.002 -3.873 18364 5563 1 10 . 1 1 70 70 PHE CB C 70 37.917 37.917 42.012 -4.095 18364 5564 1 10 . 1 1 70 70 PHE H H 70 8.549 8.549 8.379 0.170 18364 5565 1 10 . 1 1 71 71 PHE N N 71 110.252 110.252 112.215 -1.963 18364 5566 1 10 . 1 1 71 71 PHE HA H 71 4.247 4.247 4.520 -0.273 18364 5567 1 10 . 1 1 71 71 PHE CA C 71 54.475 54.475 56.199 -1.724 18364 5568 1 10 . 1 1 71 71 PHE CB C 71 38.123 38.123 40.885 -2.762 18364 5569 1 10 . 1 1 71 71 PHE H H 71 6.617 6.617 6.853 -0.236 18364 5570 1 10 . 1 1 72 72 MET N N 72 118.637 118.637 119.018 -0.381 18364 5571 1 10 . 1 1 72 72 MET HA H 72 4.800 4.800 4.952 -0.152 18364 5572 1 10 . 1 1 72 72 MET CA C 72 53.108 53.108 54.966 -1.858 18364 5573 1 10 . 1 1 72 72 MET CB C 72 35.826 35.826 36.974 -1.149 18364 5574 1 10 . 1 1 72 72 MET H H 72 8.162 8.162 8.412 -0.250 18364 5575 1 10 . 1 1 73 73 THR N N 73 117.278 117.278 118.969 -1.691 18364 5576 1 10 . 1 1 73 73 THR HA H 73 5.018 5.018 5.367 -0.349 18364 5577 1 10 . 1 1 73 73 THR CA C 73 58.316 58.316 61.041 -2.725 18364 5578 1 10 . 1 1 73 73 THR CB C 73 69.118 69.118 71.634 -2.516 18364 5579 1 10 . 1 1 73 73 THR H H 73 9.220 9.220 8.867 0.353 18364 5580 1 10 . 1 1 74 74 CYS N N 74 124.101 124.101 128.948 -4.847 18364 5581 1 10 . 1 1 74 74 CYS HA H 74 5.076 5.076 5.092 -0.016 18364 5582 1 10 . 1 1 74 74 CYS CA C 74 54.219 54.219 56.126 -1.907 18364 5583 1 10 . 1 1 74 74 CYS CB C 74 27.012 27.012 28.218 -1.206 18364 5584 1 10 . 1 1 74 74 CYS H H 74 8.958 8.958 9.107 -0.149 18364 5585 1 10 . 1 1 75 75 ALA N N 75 132.901 132.901 124.094 8.807 18364 5586 1 10 . 1 1 75 75 ALA HA H 75 4.975 4.975 4.960 0.015 18364 5587 1 10 . 1 1 75 75 ALA CA C 75 47.826 47.826 51.523 -3.697 18364 5588 1 10 . 1 1 75 75 ALA CB C 75 18.111 18.111 20.219 -2.108 18364 5589 1 10 . 1 1 75 75 ALA H H 75 8.834 8.834 7.879 0.955 18364 5590 1 10 . 1 1 76 76 GLY N N 76 110.691 110.691 110.032 0.659 18364 5591 1 10 . 1 1 76 76 GLY CA C 76 41.784 41.784 44.902 -3.118 18364 5592 1 10 . 1 1 76 76 GLY H H 76 8.265 8.265 7.940 0.325 18364 5593 1 10 . 1 1 77 77 SER N N 77 115.145 115.145 113.446 1.699 18364 5594 1 10 . 1 1 77 77 SER HA H 77 4.980 4.980 4.627 0.353 18364 5595 1 10 . 1 1 77 77 SER CA C 77 54.022 54.022 57.495 -3.473 18364 5596 1 10 . 1 1 77 77 SER CB C 77 62.987 62.987 66.218 -3.231 18364 5597 1 10 . 1 1 77 77 SER H H 77 8.723 8.723 8.267 0.456 18364 5598 1 10 . 1 1 78 78 VAL N N 78 124.775 124.775 118.964 5.811 18364 5599 1 10 . 1 1 78 78 VAL HA H 78 4.634 4.634 5.158 -0.524 18364 5600 1 10 . 1 1 78 78 VAL CA C 78 58.437 58.437 60.224 -1.786 18364 5601 1 10 . 1 1 78 78 VAL CB C 78 32.177 32.177 35.639 -3.462 18364 5602 1 10 . 1 1 78 78 VAL H H 78 8.963 8.963 8.727 0.236 18364 5603 1 10 . 1 1 79 79 SER N N 79 118.951 118.951 118.367 0.584 18364 5604 1 10 . 1 1 79 79 SER HA H 79 5.619 5.619 5.320 0.299 18364 5605 1 10 . 1 1 79 79 SER CA C 79 53.011 53.011 57.254 -4.243 18364 5606 1 10 . 1 1 79 79 SER CB C 79 64.197 64.197 67.054 -2.857 18364 5607 1 10 . 1 1 79 79 SER H H 79 8.661 8.661 8.974 -0.313 18364 5608 1 10 . 1 1 80 80 SER N N 80 114.750 114.750 114.724 0.026 18364 5609 1 10 . 1 1 80 80 SER HA H 80 4.439 4.439 4.919 -0.480 18364 5610 1 10 . 1 1 80 80 SER CA C 80 56.198 56.198 57.113 -0.915 18364 5611 1 10 . 1 1 80 80 SER CB C 80 63.490 63.490 65.231 -1.741 18364 5612 1 10 . 1 1 80 80 SER H H 80 8.563 8.563 8.809 -0.246 18364 5613 1 10 . 1 1 81 81 ILE N N 81 120.003 120.003 118.083 1.920 18364 5614 1 10 . 1 1 81 81 ILE HA H 81 4.576 4.576 4.561 0.015 18364 5615 1 10 . 1 1 81 81 ILE CA C 81 57.951 57.951 60.255 -2.304 18364 5616 1 10 . 1 1 81 81 ILE CB C 81 36.011 36.011 38.485 -2.474 18364 5617 1 10 . 1 1 81 81 ILE H H 81 8.366 8.366 8.622 -0.256 18364 5618 1 10 . 1 1 82 82 SER N N 82 119.139 119.139 117.166 1.973 18364 5619 1 10 . 1 1 82 82 SER HA H 82 4.158 4.158 4.431 -0.273 18364 5620 1 10 . 1 1 82 82 SER CA C 82 56.910 56.910 58.329 -1.419 18364 5621 1 10 . 1 1 82 82 SER CB C 82 62.055 62.055 64.359 -2.304 18364 5622 1 10 . 1 1 82 82 SER H H 82 8.204 8.204 7.967 0.237 18364 5623 1 10 . 1 1 83 83 GLU N N 83 118.350 118.350 120.129 -1.779 18364 5624 1 10 . 1 1 83 83 GLU HA H 83 4.133 4.133 4.391 -0.258 18364 5625 1 10 . 1 1 83 83 GLU CA C 83 53.267 53.267 56.109 -2.842 18364 5626 1 10 . 1 1 83 83 GLU CB C 83 27.763 27.763 30.148 -2.385 18364 5627 1 10 . 1 1 83 83 GLU H H 83 8.381 8.381 8.710 -0.329 18364 5628 1 10 . 1 1 84 84 ALA N N 84 121.665 121.665 121.753 -0.088 18364 5629 1 10 . 1 1 84 84 ALA HA H 84 3.542 3.542 4.125 -0.583 18364 5630 1 10 . 1 1 84 84 ALA CA C 84 50.621 50.621 53.365 -2.744 18364 5631 1 10 . 1 1 84 84 ALA CB C 84 16.540 16.540 19.355 -2.815 18364 5632 1 10 . 1 1 84 84 ALA H H 84 8.482 8.482 8.367 0.115 18364 5633 1 10 . 1 1 85 85 GLY N N 85 108.356 108.356 104.985 3.371 18364 5634 1 10 . 1 1 85 85 GLY CA C 85 42.955 42.955 45.755 -2.800 18364 5635 1 10 . 1 1 85 85 GLY H H 85 8.078 8.078 8.453 -0.375 18364 5636 1 10 . 1 1 86 86 LYS N N 86 121.491 121.491 122.448 -0.957 18364 5637 1 10 . 1 1 86 86 LYS HA H 86 4.638 4.638 4.660 -0.022 18364 5638 1 10 . 1 1 86 86 LYS CA C 86 51.073 51.073 54.354 -3.281 18364 5639 1 10 . 1 1 86 86 LYS CB C 86 29.750 29.750 31.752 -2.002 18364 5640 1 10 . 1 1 86 86 LYS H H 86 8.225 8.225 8.067 0.158 18364 5641 1 10 . 1 1 87 87 ARG N N 87 121.874 121.874 124.228 -2.354 18364 5642 1 10 . 1 1 87 87 ARG HA H 87 5.673 5.673 5.146 0.527 18364 5643 1 10 . 1 1 87 87 ARG CA C 87 52.139 52.139 55.339 -3.200 18364 5644 1 10 . 1 1 87 87 ARG CB C 87 32.163 32.163 32.548 -0.385 18364 5645 1 10 . 1 1 87 87 ARG H H 87 9.979 9.979 9.637 0.342 18364 5646 1 10 . 1 1 88 88 LEU N N 88 125.264 125.264 120.224 5.040 18364 5647 1 10 . 1 1 88 88 LEU HA H 88 4.562 4.562 5.078 -0.516 18364 5648 1 10 . 1 1 88 88 LEU CA C 88 50.284 50.284 54.984 -4.700 18364 5649 1 10 . 1 1 88 88 LEU CB C 88 42.309 42.309 46.522 -4.213 18364 5650 1 10 . 1 1 88 88 LEU H H 88 8.756 8.756 8.966 -0.210 18364 5651 1 10 . 1 1 89 89 HIS N N 89 125.453 125.453 125.242 0.211 18364 5652 1 10 . 1 1 89 89 HIS HA H 89 5.188 5.188 5.377 -0.189 18364 5653 1 10 . 1 1 89 89 HIS CA C 89 51.389 51.389 54.689 -3.300 18364 5654 1 10 . 1 1 89 89 HIS CB C 89 27.731 27.731 33.599 -5.869 18364 5655 1 10 . 1 1 89 89 HIS H H 89 8.910 8.910 9.234 -0.324 18364 5656 1 10 . 1 1 90 90 ILE N N 90 126.486 126.486 127.716 -1.230 18364 5657 1 10 . 1 1 90 90 ILE HA H 90 5.020 5.020 5.009 0.011 18364 5658 1 10 . 1 1 90 90 ILE CA C 90 55.642 55.642 58.948 -3.306 18364 5659 1 10 . 1 1 90 90 ILE CB C 90 38.696 38.696 41.222 -2.526 18364 5660 1 10 . 1 1 90 90 ILE H H 90 8.689 8.689 8.839 -0.150 18364 5661 1 10 . 1 1 91 91 THR N N 91 123.200 123.200 122.557 0.643 18364 5662 1 10 . 1 1 91 91 THR HA H 91 5.017 5.017 4.861 0.156 18364 5663 1 10 . 1 1 91 91 THR CA C 91 58.555 58.555 61.280 -2.725 18364 5664 1 10 . 1 1 91 91 THR CB C 91 68.702 68.702 70.749 -2.046 18364 5665 1 10 . 1 1 91 91 THR H H 91 8.636 8.636 8.761 -0.125 18364 5666 1 10 . 1 1 92 92 VAL N N 92 127.071 127.071 123.951 3.120 18364 5667 1 10 . 1 1 92 92 VAL HA H 92 5.018 5.018 4.944 0.074 18364 5668 1 10 . 1 1 92 92 VAL CA C 92 57.969 57.969 60.570 -2.601 18364 5669 1 10 . 1 1 92 92 VAL CB C 92 31.323 31.323 32.514 -1.191 18364 5670 1 10 . 1 1 92 92 VAL H H 92 9.162 9.162 9.122 0.040 18364 5671 1 10 . 1 1 93 93 ILE N N 93 127.095 127.095 125.533 1.562 18364 5672 1 10 . 1 1 93 93 ILE HA H 93 4.461 4.461 5.035 -0.574 18364 5673 1 10 . 1 1 93 93 ILE CA C 93 57.972 57.972 59.660 -1.688 18364 5674 1 10 . 1 1 93 93 ILE CB C 93 38.929 38.929 42.357 -3.428 18364 5675 1 10 . 1 1 93 93 ILE H H 93 9.313 9.313 9.093 0.220 18364 5676 1 10 . 1 1 94 94 GLY N N 94 111.893 111.893 109.663 2.230 18364 5677 1 10 . 1 1 94 94 GLY CA C 94 41.781 41.781 44.561 -2.780 18364 5678 1 10 . 1 1 94 94 GLY H H 94 8.577 8.577 8.699 -0.122 18364 5679 1 10 . 1 1 95 95 TYR N N 95 123.099 123.099 120.414 2.685 18364 5680 1 10 . 1 1 95 95 TYR HA H 95 5.399 5.399 5.506 -0.107 18364 5681 1 10 . 1 1 95 95 TYR CA C 95 54.052 54.052 56.192 -2.140 18364 5682 1 10 . 1 1 95 95 TYR CB C 95 41.285 41.285 43.758 -2.473 18364 5683 1 10 . 1 1 95 95 TYR H H 95 9.640 9.640 9.274 0.366 18364 5684 1 10 . 1 1 96 96 ILE N N 96 116.705 116.705 121.122 -4.417 18364 5685 1 10 . 1 1 96 96 ILE HA H 96 4.208 4.208 3.942 0.266 18364 5686 1 10 . 1 1 96 96 ILE CA C 96 58.977 58.977 60.725 -1.748 18364 5687 1 10 . 1 1 96 96 ILE CB C 96 37.245 37.245 39.549 -2.304 18364 5688 1 10 . 1 1 96 96 ILE H H 96 8.270 8.270 8.928 -0.658 18364 5689 1 10 . 1 1 97 97 ASP N N 97 130.442 130.442 129.098 1.344 18364 5690 1 10 . 1 1 97 97 ASP HA H 97 4.165 4.165 4.349 -0.184 18364 5691 1 10 . 1 1 97 97 ASP CA C 97 53.736 53.736 57.155 -3.419 18364 5692 1 10 . 1 1 97 97 ASP CB C 97 36.870 36.870 40.313 -3.443 18364 5693 1 10 . 1 1 97 97 ASP H H 97 9.849 9.849 8.705 1.144 18364 5694 1 10 . 1 1 98 98 ASP N N 98 114.957 114.957 119.007 -4.050 18364 5695 1 10 . 1 1 98 98 ASP HA H 98 4.694 4.694 4.731 -0.037 18364 5696 1 10 . 1 1 98 98 ASP CB C 98 36.266 36.266 42.623 -6.357 18364 5697 1 10 . 1 1 98 98 ASP H H 98 8.355 8.355 8.252 0.103 18364 5698 1 10 . 1 1 99 99 LYS N N 99 121.680 121.680 119.824 1.856 18364 5699 1 10 . 1 1 99 99 LYS HA H 99 4.590 4.590 4.797 -0.207 18364 5700 1 10 . 1 1 99 99 LYS CA C 99 52.354 52.354 54.183 -1.829 18364 5701 1 10 . 1 1 99 99 LYS CB C 99 30.958 30.958 35.647 -4.689 18364 5702 1 10 . 1 1 99 99 LYS H H 99 8.049 8.049 7.955 0.094 18364 5703 1 10 . 1 1 100 100 GLU N N 100 127.574 127.574 122.729 4.845 18364 5704 1 10 . 1 1 100 100 GLU HA H 100 3.804 3.804 4.232 -0.428 18364 5705 1 10 . 1 1 100 100 GLU CA C 100 54.562 54.562 56.442 -1.880 18364 5706 1 10 . 1 1 100 100 GLU CB C 100 26.808 26.808 30.371 -3.563 18364 5707 1 10 . 1 1 100 100 GLU H H 100 8.839 8.839 8.825 0.014 18364 5708 1 10 . 1 1 101 101 VAL N N 101 120.606 120.606 120.971 -0.365 18364 5709 1 10 . 1 1 101 101 VAL HA H 101 4.534 4.534 4.409 0.125 18364 5710 1 10 . 1 1 101 101 VAL CA C 101 58.379 58.379 62.189 -3.810 18364 5711 1 10 . 1 1 101 101 VAL CB C 101 31.223 31.223 33.988 -2.765 18364 5712 1 10 . 1 1 101 101 VAL H H 101 8.997 8.997 8.658 0.339 18364 5713 1 10 . 1 1 102 102 ASN N N 102 118.568 118.568 120.862 -2.294 18364 5714 1 10 . 1 1 102 102 ASN HA H 102 4.782 4.782 4.911 -0.129 18364 5715 1 10 . 1 1 102 102 ASN CA C 102 50.154 50.154 52.359 -2.205 18364 5716 1 10 . 1 1 102 102 ASN CB C 102 38.848 38.848 40.792 -1.944 18364 5717 1 10 . 1 1 102 102 ASN H H 102 7.598 7.598 7.936 -0.338 18364 5718 1 10 . 1 1 103 103 ARG N N 103 120.366 120.366 120.345 0.021 18364 5719 1 10 . 1 1 103 103 ARG HA H 103 5.051 5.051 5.404 -0.353 18364 5720 1 10 . 1 1 103 103 ARG CA C 103 52.900 52.900 55.103 -2.203 18364 5721 1 10 . 1 1 103 103 ARG CB C 103 31.710 31.710 32.743 -1.033 18364 5722 1 10 . 1 1 103 103 ARG H H 103 8.155 8.155 8.389 -0.234 18364 5723 1 10 . 1 1 104 104 LEU N N 104 128.859 128.859 117.619 11.240 18364 5724 1 10 . 1 1 104 104 LEU HA H 104 4.553 4.553 5.032 -0.479 18364 5725 1 10 . 1 1 104 104 LEU CA C 104 51.272 51.272 53.465 -2.193 18364 5726 1 10 . 1 1 104 104 LEU CB C 104 43.549 43.549 45.726 -2.177 18364 5727 1 10 . 1 1 104 104 LEU H H 104 9.271 9.271 8.861 0.410 18364 5728 1 10 . 1 1 105 105 GLU N N 105 125.663 125.663 118.407 7.256 18364 5729 1 10 . 1 1 105 105 GLU HA H 105 5.179 5.179 5.242 -0.063 18364 5730 1 10 . 1 1 105 105 GLU CA C 105 51.966 51.966 54.909 -2.943 18364 5731 1 10 . 1 1 105 105 GLU CB C 105 29.358 29.358 33.005 -3.647 18364 5732 1 10 . 1 1 105 105 GLU H H 105 8.346 8.346 8.409 -0.064 18364 5733 1 10 . 1 1 106 106 LYS N N 106 123.659 123.659 119.506 4.153 18364 5734 1 10 . 1 1 106 106 LYS HA H 106 4.281 4.281 4.356 -0.075 18364 5735 1 10 . 1 1 106 106 LYS CA C 106 51.118 51.118 55.322 -4.204 18364 5736 1 10 . 1 1 106 106 LYS CB C 106 34.761 34.761 36.559 -1.798 18364 5737 1 10 . 1 1 106 106 LYS H H 106 8.526 8.526 8.513 0.013 18364 5738 1 10 . 1 1 107 107 GLU N N 107 121.917 121.917 120.789 1.128 18364 5739 1 10 . 1 1 107 107 GLU HA H 107 4.949 4.949 4.993 -0.044 18364 5740 1 10 . 1 1 107 107 GLU CA C 107 51.404 51.404 54.516 -3.112 18364 5741 1 10 . 1 1 107 107 GLU CB C 107 29.906 29.906 32.410 -2.504 18364 5742 1 10 . 1 1 107 107 GLU H H 107 7.773 7.773 7.994 -0.221 18364 5743 1 10 . 1 1 108 108 TYR N N 108 124.981 124.981 121.453 3.528 18364 5744 1 10 . 1 1 108 108 TYR HA H 108 4.720 4.720 4.833 -0.113 18364 5745 1 10 . 1 1 108 108 TYR CA C 108 54.188 54.188 56.884 -2.696 18364 5746 1 10 . 1 1 108 108 TYR CB C 108 39.101 39.101 42.934 -3.833 18364 5747 1 10 . 1 1 108 108 TYR H H 108 9.031 9.031 9.058 -0.027 18364 5748 1 10 . 1 1 109 109 ILE N N 109 121.680 121.680 119.843 1.837 18364 5749 1 10 . 1 1 109 109 ILE HA H 109 5.471 5.471 4.940 0.531 18364 5750 1 10 . 1 1 109 109 ILE CA C 109 56.592 56.592 60.228 -3.636 18364 5751 1 10 . 1 1 109 109 ILE CB C 109 38.728 38.728 42.556 -3.828 18364 5752 1 10 . 1 1 109 109 ILE H H 109 8.475 8.475 8.476 -0.001 18364 5753 1 10 . 1 1 110 110 THR N N 110 117.537 117.537 115.669 1.868 18364 5754 1 10 . 1 1 110 110 THR HA H 110 4.521 4.521 4.373 0.148 18364 5755 1 10 . 1 1 110 110 THR CA C 110 59.337 59.337 62.562 -3.225 18364 5756 1 10 . 1 1 110 110 THR CB C 110 67.143 67.143 69.786 -2.643 18364 5757 1 10 . 1 1 110 110 THR H H 110 9.180 9.180 8.615 0.565 18364 5758 1 10 . 1 1 111 111 ASP N N 111 122.428 122.428 124.612 -2.184 18364 5759 1 10 . 1 1 111 111 ASP HA H 111 4.721 4.721 4.660 0.061 18364 5760 1 10 . 1 1 111 111 ASP CA C 111 50.135 50.135 53.957 -3.822 18364 5761 1 10 . 1 1 111 111 ASP CB C 111 39.613 39.613 40.707 -1.094 18364 5762 1 10 . 1 1 111 111 ASP H H 111 9.342 9.342 8.715 0.627 18364 5763 1 10 . 1 1 112 112 GLY N N 112 110.714 110.714 108.227 2.487 18364 5764 1 10 . 1 1 112 112 GLY CA C 112 43.084 43.084 44.780 -1.696 18364 5765 1 10 . 1 1 112 112 GLY H H 112 8.333 8.333 8.430 -0.097 18364 5766 1 10 . 1 1 113 113 ASN N N 113 119.462 119.462 119.660 -0.198 18364 5767 1 10 . 1 1 113 113 ASN HA H 113 4.926 4.926 4.840 0.086 18364 5768 1 10 . 1 1 113 113 ASN CA C 113 49.373 49.373 53.346 -3.973 18364 5769 1 10 . 1 1 113 113 ASN CB C 113 37.377 37.377 39.108 -1.731 18364 5770 1 10 . 1 1 113 113 ASN H H 113 8.210 8.210 8.882 -0.672 18364 5771 1 10 . 1 1 114 114 THR N N 114 117.962 117.962 116.398 1.564 18364 5772 1 10 . 1 1 114 114 THR HA H 114 4.136 4.136 4.188 -0.052 18364 5773 1 10 . 1 1 114 114 THR CA C 114 62.066 62.066 62.793 -0.727 18364 5774 1 10 . 1 1 114 114 THR CB C 114 66.489 66.489 69.040 -2.551 18364 5775 1 10 . 1 1 114 114 THR H H 114 8.436 8.436 8.340 0.096 18364 5776 1 10 . 1 1 115 115 LEU N N 115 132.998 132.998 129.956 3.042 18364 5777 1 10 . 1 1 115 115 LEU HA H 115 4.607 4.607 4.358 0.249 18364 5778 1 10 . 1 1 115 115 LEU CA C 115 52.335 52.335 54.868 -2.533 18364 5779 1 10 . 1 1 115 115 LEU CB C 115 41.546 41.546 41.232 0.314 18364 5780 1 10 . 1 1 115 115 LEU H H 115 8.789 8.789 8.354 0.435 18364 5781 1 10 . 1 1 116 116 ILE N N 116 126.586 126.586 124.723 1.863 18364 5782 1 10 . 1 1 116 116 ILE HA H 116 4.784 4.784 4.804 -0.020 18364 5783 1 10 . 1 1 116 116 ILE CA C 116 58.270 58.270 60.193 -1.923 18364 5784 1 10 . 1 1 116 116 ILE CB C 116 37.909 37.909 42.376 -4.467 18364 5785 1 10 . 1 1 116 116 ILE H H 116 8.637 8.637 8.333 0.304 18364 5786 1 10 . 1 1 117 117 GLU N N 117 127.084 127.084 124.056 3.028 18364 5787 1 10 . 1 1 117 117 GLU HA H 117 4.830 4.830 4.829 0.001 18364 5788 1 10 . 1 1 117 117 GLU CA C 117 51.847 51.847 54.947 -3.100 18364 5789 1 10 . 1 1 117 117 GLU CB C 117 32.299 32.299 34.765 -2.466 18364 5790 1 10 . 1 1 117 117 GLU H H 117 8.933 8.933 8.707 0.226 18364 5791 1 10 . 1 1 118 118 THR N N 118 110.826 110.826 111.406 -0.580 18364 5792 1 10 . 1 1 118 118 THR HA H 118 5.190 5.190 4.472 0.718 18364 5793 1 10 . 1 1 118 118 THR CA C 118 57.036 57.036 60.348 -3.312 18364 5794 1 10 . 1 1 118 118 THR CB C 118 69.888 69.888 70.662 -0.773 18364 5795 1 10 . 1 1 118 118 THR H H 118 8.664 8.664 8.384 0.280 18364 5796 1 10 . 1 1 119 119 PHE N N 119 115.915 115.915 118.049 -2.134 18364 5797 1 10 . 1 1 119 119 PHE HA H 119 4.999 4.999 5.119 -0.120 18364 5798 1 10 . 1 1 119 119 PHE CA C 119 53.804 53.804 56.423 -2.619 18364 5799 1 10 . 1 1 119 119 PHE CB C 119 39.787 39.787 41.542 -1.755 18364 5800 1 10 . 1 1 119 119 PHE H H 119 8.087 8.087 7.719 0.368 18364 5801 1 10 . 1 1 120 120 SER N N 120 114.953 114.953 115.031 -0.078 18364 5802 1 10 . 1 1 120 120 SER HA H 120 5.383 5.383 5.277 0.106 18364 5803 1 10 . 1 1 120 120 SER CA C 120 55.192 55.192 57.551 -2.359 18364 5804 1 10 . 1 1 120 120 SER CB C 120 62.113 62.113 65.854 -3.741 18364 5805 1 10 . 1 1 120 120 SER H H 120 8.627 8.627 8.501 0.126 18364 5806 1 10 . 1 1 121 121 VAL N N 121 124.122 124.122 118.019 6.103 18364 5807 1 10 . 1 1 121 121 VAL HA H 121 4.349 4.349 4.656 -0.307 18364 5808 1 10 . 1 1 121 121 VAL CA C 121 59.005 59.005 60.908 -1.903 18364 5809 1 10 . 1 1 121 121 VAL CB C 121 34.127 34.127 34.837 -0.709 18364 5810 1 10 . 1 1 121 121 VAL H H 121 8.866 8.866 8.430 0.436 18364 5811 1 10 . 1 1 122 122 SER N N 122 119.703 119.703 121.622 -1.919 18364 5812 1 10 . 1 1 122 122 SER HA H 122 5.598 5.598 5.678 -0.080 18364 5813 1 10 . 1 1 122 122 SER CA C 122 53.065 53.065 56.900 -3.835 18364 5814 1 10 . 1 1 122 122 SER CB C 122 63.442 63.442 66.795 -3.353 18364 5815 1 10 . 1 1 122 122 SER H H 122 8.334 8.334 8.480 -0.146 18364 5816 1 10 . 1 1 123 123 THR N N 123 113.276 113.276 114.219 -0.943 18364 5817 1 10 . 1 1 123 123 THR HA H 123 4.093 4.093 4.338 -0.245 18364 5818 1 10 . 1 1 123 123 THR CA C 123 60.143 60.143 63.064 -2.921 18364 5819 1 10 . 1 1 123 123 THR CB C 123 64.437 64.437 69.491 -5.054 18364 5820 1 10 . 1 1 123 123 THR H H 123 8.898 8.898 8.605 0.293 18364 5821 1 10 . 1 1 124 124 LYS N N 124 119.191 119.191 121.081 -1.890 18364 5822 1 10 . 1 1 124 124 LYS HA H 124 4.324 4.324 4.558 -0.234 18364 5823 1 10 . 1 1 124 124 LYS CA C 124 53.486 53.486 56.392 -2.906 18364 5824 1 10 . 1 1 124 124 LYS CB C 124 32.376 32.376 34.823 -2.447 18364 5825 1 10 . 1 1 124 124 LYS H H 124 7.569 7.569 7.962 -0.393 18364 5826 1 10 . 1 1 125 125 GLU N N 125 124.243 124.243 124.367 -0.124 18364 5827 1 10 . 1 1 125 125 GLU HA H 125 4.255 4.255 4.443 -0.188 18364 5828 1 10 . 1 1 125 125 GLU CA C 125 53.830 53.830 56.196 -2.366 18364 5829 1 10 . 1 1 125 125 GLU CB C 125 27.674 27.674 29.352 -1.677 18364 5830 1 10 . 1 1 125 125 GLU H H 125 8.359 8.359 8.758 -0.399 18364 5831 1 11 . 1 1 2 2 ALA CA C 2 50.698 50.698 51.639 -0.941 18364 5832 1 11 . 1 1 2 2 ALA CB C 2 16.688 16.688 20.435 -3.747 18364 5833 1 11 . 1 1 3 3 SER N N 3 113.663 113.663 115.290 -1.627 18364 5834 1 11 . 1 1 3 3 SER HA H 3 4.296 4.296 4.360 -0.064 18364 5835 1 11 . 1 1 3 3 SER CA C 3 55.573 55.573 58.913 -3.340 18364 5836 1 11 . 1 1 3 3 SER CB C 3 60.888 60.888 63.365 -2.477 18364 5837 1 11 . 1 1 3 3 SER H H 3 8.301 8.301 8.489 -0.188 18364 5838 1 11 . 1 1 4 4 ASP N N 4 121.532 121.532 122.438 -0.906 18364 5839 1 11 . 1 1 4 4 ASP HA H 4 4.394 4.394 4.724 -0.330 18364 5840 1 11 . 1 1 4 4 ASP CA C 4 51.748 51.748 54.909 -3.161 18364 5841 1 11 . 1 1 4 4 ASP CB C 4 38.614 38.614 39.705 -1.091 18364 5842 1 11 . 1 1 4 4 ASP H H 4 7.874 7.874 8.239 -0.365 18364 5843 1 11 . 1 1 5 5 PHE N N 5 119.126 119.126 122.397 -3.271 18364 5844 1 11 . 1 1 5 5 PHE HA H 5 4.535 4.535 4.726 -0.191 18364 5845 1 11 . 1 1 5 5 PHE CA C 5 54.589 54.589 57.632 -3.043 18364 5846 1 11 . 1 1 5 5 PHE CB C 5 37.079 37.079 40.815 -3.736 18364 5847 1 11 . 1 1 5 5 PHE H H 5 7.832 7.832 7.988 -0.156 18364 5848 1 11 . 1 1 6 6 GLN N N 6 122.092 122.092 120.011 2.081 18364 5849 1 11 . 1 1 6 6 GLN HA H 6 4.417 4.417 4.634 -0.217 18364 5850 1 11 . 1 1 6 6 GLN CA C 6 53.128 53.128 55.300 -2.172 18364 5851 1 11 . 1 1 6 6 GLN CB C 6 27.477 27.477 31.652 -4.175 18364 5852 1 11 . 1 1 6 6 GLN H H 6 8.447 8.447 8.046 0.401 18364 5853 1 11 . 1 1 7 7 THR N N 7 114.717 114.717 111.805 2.912 18364 5854 1 11 . 1 1 7 7 THR HA H 7 5.035 5.035 4.923 0.112 18364 5855 1 11 . 1 1 7 7 THR CA C 7 57.906 57.906 60.227 -2.321 18364 5856 1 11 . 1 1 7 7 THR CB C 7 68.370 68.370 71.042 -2.672 18364 5857 1 11 . 1 1 7 7 THR H H 7 8.145 8.145 8.155 -0.010 18364 5858 1 11 . 1 1 8 8 GLY N N 8 111.628 111.628 108.489 3.139 18364 5859 1 11 . 1 1 8 8 GLY CA C 8 43.774 43.774 44.915 -1.141 18364 5860 1 11 . 1 1 8 8 GLY H H 8 9.234 9.234 8.416 0.818 18364 5861 1 11 . 1 1 9 9 ILE N N 9 119.585 119.585 122.117 -2.532 18364 5862 1 11 . 1 1 9 9 ILE HA H 9 3.934 3.934 4.388 -0.454 18364 5863 1 11 . 1 1 9 9 ILE CA C 9 58.907 58.907 59.946 -1.039 18364 5864 1 11 . 1 1 9 9 ILE CB C 9 35.738 35.738 40.226 -4.488 18364 5865 1 11 . 1 1 9 9 ILE H H 9 8.603 8.603 8.179 0.424 18364 5866 1 11 . 1 1 10 10 HIS N N 10 133.616 133.616 127.252 6.364 18364 5867 1 11 . 1 1 10 10 HIS HA H 10 5.185 5.185 5.000 0.185 18364 5868 1 11 . 1 1 10 10 HIS CA C 10 53.587 53.587 57.143 -3.556 18364 5869 1 11 . 1 1 10 10 HIS CB C 10 30.817 30.817 31.191 -0.374 18364 5870 1 11 . 1 1 10 10 HIS H H 10 8.599 8.599 8.880 -0.281 18364 5871 1 11 . 1 1 11 11 LYS N N 11 122.949 122.949 116.141 6.808 18364 5872 1 11 . 1 1 11 11 LYS HA H 11 5.236 5.236 5.084 0.152 18364 5873 1 11 . 1 1 11 11 LYS CA C 11 52.748 52.748 55.578 -2.830 18364 5874 1 11 . 1 1 11 11 LYS CB C 11 35.137 35.137 36.354 -1.217 18364 5875 1 11 . 1 1 11 11 LYS H H 11 8.775 8.775 8.900 -0.125 18364 5876 1 11 . 1 1 12 12 ILE N N 12 125.260 125.260 120.237 5.023 18364 5877 1 11 . 1 1 12 12 ILE HA H 12 5.273 5.273 5.164 0.109 18364 5878 1 11 . 1 1 12 12 ILE CA C 12 55.780 55.780 59.612 -3.832 18364 5879 1 11 . 1 1 12 12 ILE CB C 12 38.767 38.767 42.825 -4.058 18364 5880 1 11 . 1 1 12 12 ILE H H 12 8.578 8.578 8.957 -0.379 18364 5881 1 11 . 1 1 13 13 VAL N N 13 126.515 126.515 118.576 7.939 18364 5882 1 11 . 1 1 13 13 VAL HA H 13 4.795 4.795 5.131 -0.336 18364 5883 1 11 . 1 1 13 13 VAL CA C 13 58.115 58.115 60.366 -2.251 18364 5884 1 11 . 1 1 13 13 VAL CB C 13 32.948 32.948 34.977 -2.029 18364 5885 1 11 . 1 1 13 13 VAL H H 13 9.052 9.052 8.549 0.503 18364 5886 1 11 . 1 1 14 14 ILE N N 14 125.803 125.803 124.700 1.103 18364 5887 1 11 . 1 1 14 14 ILE HA H 14 5.008 5.008 5.022 -0.014 18364 5888 1 11 . 1 1 14 14 ILE CA C 14 57.539 57.539 60.108 -2.569 18364 5889 1 11 . 1 1 14 14 ILE CB C 14 38.656 38.656 42.532 -3.876 18364 5890 1 11 . 1 1 14 14 ILE H H 14 8.974 8.974 8.765 0.209 18364 5891 1 11 . 1 1 15 15 GLN N N 15 125.773 125.773 121.999 3.774 18364 5892 1 11 . 1 1 15 15 GLN HA H 15 5.433 5.433 5.229 0.204 18364 5893 1 11 . 1 1 15 15 GLN CA C 15 51.002 51.002 54.112 -3.110 18364 5894 1 11 . 1 1 15 15 GLN CB C 15 29.637 29.637 32.990 -3.353 18364 5895 1 11 . 1 1 15 15 GLN H H 15 9.244 9.244 8.904 0.340 18364 5896 1 11 . 1 1 16 16 GLN N N 16 119.832 119.832 118.320 1.512 18364 5897 1 11 . 1 1 16 16 GLN HA H 16 5.741 5.741 5.438 0.303 18364 5898 1 11 . 1 1 16 16 GLN CA C 16 50.572 50.572 53.982 -3.410 18364 5899 1 11 . 1 1 16 16 GLN CB C 16 30.039 30.039 32.983 -2.944 18364 5900 1 11 . 1 1 16 16 GLN H H 16 8.964 8.964 8.097 0.867 18364 5901 1 11 . 1 1 17 17 SER N N 17 115.201 115.201 113.938 1.263 18364 5902 1 11 . 1 1 17 17 SER HA H 17 4.526 4.526 4.795 -0.269 18364 5903 1 11 . 1 1 17 17 SER CA C 17 54.831 54.831 57.397 -2.566 18364 5904 1 11 . 1 1 17 17 SER CB C 17 62.930 62.930 65.041 -2.111 18364 5905 1 11 . 1 1 17 17 SER H H 17 8.770 8.770 8.648 0.122 18364 5906 1 11 . 1 1 18 18 GLY N N 18 109.321 109.321 110.643 -1.322 18364 5907 1 11 . 1 1 18 18 GLY CA C 18 41.737 41.737 44.800 -3.063 18364 5908 1 11 . 1 1 18 18 GLY H H 18 8.798 8.798 8.193 0.605 18364 5909 1 11 . 1 1 19 19 ASP N N 19 128.121 128.121 124.588 3.533 18364 5910 1 11 . 1 1 19 19 ASP HA H 19 5.071 5.071 4.696 0.375 18364 5911 1 11 . 1 1 19 19 ASP CA C 19 51.251 51.251 52.808 -1.557 18364 5912 1 11 . 1 1 19 19 ASP CB C 19 37.872 37.872 39.079 -1.207 18364 5913 1 11 . 1 1 19 19 ASP H H 19 9.708 9.708 8.050 1.658 18364 5914 1 11 . 1 1 20 20 THR N N 20 111.610 111.610 112.493 -0.883 18364 5915 1 11 . 1 1 20 20 THR HA H 20 3.615 3.615 4.321 -0.706 18364 5916 1 11 . 1 1 20 20 THR CA C 20 63.331 63.331 62.695 0.636 18364 5917 1 11 . 1 1 20 20 THR CB C 20 64.873 64.873 68.519 -3.646 18364 5918 1 11 . 1 1 20 20 THR H H 20 8.136 8.136 7.765 0.371 18364 5919 1 11 . 1 1 21 21 ASP N N 21 118.304 118.304 119.230 -0.926 18364 5920 1 11 . 1 1 21 21 ASP HA H 21 4.639 4.639 5.012 -0.373 18364 5921 1 11 . 1 1 21 21 ASP CA C 21 52.945 52.945 54.921 -1.976 18364 5922 1 11 . 1 1 21 21 ASP CB C 21 37.785 37.785 42.280 -4.495 18364 5923 1 11 . 1 1 21 21 ASP H H 21 8.566 8.566 7.807 0.759 18364 5924 1 11 . 1 1 22 22 SER N N 22 114.253 114.253 114.651 -0.398 18364 5925 1 11 . 1 1 22 22 SER HA H 22 4.384 4.384 4.635 -0.251 18364 5926 1 11 . 1 1 22 22 SER CA C 22 57.170 57.170 58.942 -1.772 18364 5927 1 11 . 1 1 22 22 SER CB C 22 61.441 61.441 64.976 -3.535 18364 5928 1 11 . 1 1 22 22 SER H H 22 8.076 8.076 7.875 0.201 18364 5929 1 11 . 1 1 23 23 PHE N N 23 119.853 119.853 120.192 -0.339 18364 5930 1 11 . 1 1 23 23 PHE HA H 23 5.010 5.010 4.839 0.171 18364 5931 1 11 . 1 1 23 23 PHE CA C 23 53.272 53.272 56.034 -2.762 18364 5932 1 11 . 1 1 23 23 PHE CB C 23 42.021 42.021 40.847 1.174 18364 5933 1 11 . 1 1 23 23 PHE H H 23 7.611 7.611 7.904 -0.293 18364 5934 1 11 . 1 1 24 24 GLU N N 24 119.255 119.255 125.595 -6.340 18364 5935 1 11 . 1 1 24 24 GLU HA H 24 4.571 4.571 4.383 0.188 18364 5936 1 11 . 1 1 24 24 GLU CA C 24 52.642 52.642 56.444 -3.802 18364 5937 1 11 . 1 1 24 24 GLU CB C 24 28.881 28.881 30.157 -1.276 18364 5938 1 11 . 1 1 24 24 GLU H H 24 8.958 8.958 8.529 0.429 18364 5939 1 11 . 1 1 25 25 VAL N N 25 130.637 130.637 125.724 4.913 18364 5940 1 11 . 1 1 25 25 VAL HA H 25 4.859 4.859 4.857 0.002 18364 5941 1 11 . 1 1 25 25 VAL CA C 25 58.548 58.548 61.565 -3.017 18364 5942 1 11 . 1 1 25 25 VAL CB C 25 30.439 30.439 34.354 -3.915 18364 5943 1 11 . 1 1 25 25 VAL H H 25 9.678 9.678 8.623 1.055 18364 5944 1 11 . 1 1 26 26 SER N N 26 122.555 122.555 122.790 -0.235 18364 5945 1 11 . 1 1 26 26 SER HA H 26 5.289 5.289 5.613 -0.324 18364 5946 1 11 . 1 1 26 26 SER CA C 26 54.088 54.088 56.331 -2.243 18364 5947 1 11 . 1 1 26 26 SER CB C 26 62.476 62.476 65.678 -3.202 18364 5948 1 11 . 1 1 26 26 SER H H 26 8.883 8.883 8.546 0.337 18364 5949 1 11 . 1 1 27 27 VAL N N 27 113.682 113.682 117.399 -3.717 18364 5950 1 11 . 1 1 27 27 VAL HA H 27 5.269 5.269 4.463 0.806 18364 5951 1 11 . 1 1 27 27 VAL CA C 27 56.005 56.005 60.416 -4.411 18364 5952 1 11 . 1 1 27 27 VAL CB C 27 34.158 34.158 33.422 0.736 18364 5953 1 11 . 1 1 27 27 VAL H H 27 8.493 8.493 8.971 -0.478 18364 5954 1 11 . 1 1 28 28 SER N N 28 116.852 116.852 122.086 -5.234 18364 5955 1 11 . 1 1 28 28 SER HA H 28 5.410 5.410 4.770 0.640 18364 5956 1 11 . 1 1 28 28 SER CA C 28 54.633 54.633 58.771 -4.138 18364 5957 1 11 . 1 1 28 28 SER CB C 28 62.095 62.095 63.612 -1.517 18364 5958 1 11 . 1 1 28 28 SER H H 28 8.709 8.709 8.218 0.491 18364 5959 1 11 . 1 1 29 29 ILE N N 29 128.765 128.765 125.385 3.380 18364 5960 1 11 . 1 1 29 29 ILE HA H 29 5.224 5.224 4.535 0.689 18364 5961 1 11 . 1 1 29 29 ILE CA C 29 57.247 57.247 59.753 -2.506 18364 5962 1 11 . 1 1 29 29 ILE CB C 29 39.144 39.144 42.104 -2.960 18364 5963 1 11 . 1 1 29 29 ILE H H 29 9.631 9.631 8.798 0.833 18364 5964 1 11 . 1 1 30 30 GLY N N 30 112.478 112.478 110.391 2.087 18364 5965 1 11 . 1 1 30 30 GLY CA C 30 42.140 42.140 45.361 -3.221 18364 5966 1 11 . 1 1 30 30 GLY H H 30 8.095 8.095 7.812 0.283 18364 5967 1 11 . 1 1 31 31 GLY N N 31 108.502 108.502 105.315 3.187 18364 5968 1 11 . 1 1 31 31 GLY CA C 31 43.201 43.201 44.703 -1.502 18364 5969 1 11 . 1 1 31 31 GLY H H 31 9.755 9.755 8.093 1.662 18364 5970 1 11 . 1 1 32 32 ALA N N 32 122.020 122.020 121.972 0.048 18364 5971 1 11 . 1 1 32 32 ALA HA H 32 4.967 4.967 5.223 -0.256 18364 5972 1 11 . 1 1 32 32 ALA CA C 32 48.540 48.540 50.924 -2.384 18364 5973 1 11 . 1 1 32 32 ALA CB C 32 21.078 21.078 22.352 -1.274 18364 5974 1 11 . 1 1 32 32 ALA H H 32 7.338 7.338 7.651 -0.313 18364 5975 1 11 . 1 1 33 33 ASP N N 33 121.217 121.217 122.721 -1.504 18364 5976 1 11 . 1 1 33 33 ASP HA H 33 3.680 3.680 5.069 -1.389 18364 5977 1 11 . 1 1 33 33 ASP CA C 33 49.520 49.520 52.197 -2.677 18364 5978 1 11 . 1 1 33 33 ASP CB C 33 40.840 40.840 43.177 -2.337 18364 5979 1 11 . 1 1 33 33 ASP H H 33 8.945 8.945 8.602 0.343 18364 5980 1 11 . 1 1 34 34 LYS N N 34 117.693 117.693 121.456 -3.763 18364 5981 1 11 . 1 1 34 34 LYS HA H 34 4.017 4.017 4.159 -0.142 18364 5982 1 11 . 1 1 34 34 LYS CA C 34 56.700 56.700 56.437 0.263 18364 5983 1 11 . 1 1 34 34 LYS CB C 34 29.772 29.772 31.311 -1.540 18364 5984 1 11 . 1 1 34 34 LYS H H 34 8.200 8.200 8.405 -0.205 18364 5985 1 11 . 1 1 35 35 GLY N N 35 106.697 106.697 113.412 -6.715 18364 5986 1 11 . 1 1 35 35 GLY CA C 35 42.719 42.719 44.714 -1.995 18364 5987 1 11 . 1 1 35 35 GLY H H 35 8.653 8.653 8.318 0.335 18364 5988 1 11 . 1 1 36 36 GLY N N 36 110.824 110.824 108.557 2.267 18364 5989 1 11 . 1 1 36 36 GLY CA C 36 41.099 41.099 44.761 -3.662 18364 5990 1 11 . 1 1 36 36 GLY H H 36 7.601 7.601 7.593 0.008 18364 5991 1 11 . 1 1 37 37 PRO HA H 37 4.571 4.571 4.687 -0.116 18364 5992 1 11 . 1 1 37 37 PRO CA C 37 60.012 60.012 62.303 -2.292 18364 5993 1 11 . 1 1 37 37 PRO CB C 37 29.470 29.470 32.327 -2.857 18364 5994 1 11 . 1 1 38 38 ALA N N 38 127.841 127.841 126.824 1.017 18364 5995 1 11 . 1 1 38 38 ALA HA H 38 4.127 4.127 4.499 -0.372 18364 5996 1 11 . 1 1 38 38 ALA CA C 38 48.117 48.117 50.621 -2.504 18364 5997 1 11 . 1 1 38 38 ALA CB C 38 16.655 16.655 19.784 -3.129 18364 5998 1 11 . 1 1 38 38 ALA H H 38 7.486 7.486 8.102 -0.616 18364 5999 1 11 . 1 1 39 39 LYS N N 39 121.148 121.148 126.291 -5.143 18364 6000 1 11 . 1 1 39 39 LYS HA H 39 4.115 4.115 4.203 -0.088 18364 6001 1 11 . 1 1 39 39 LYS CA C 39 55.674 55.674 56.957 -1.283 18364 6002 1 11 . 1 1 39 39 LYS CB C 39 31.223 31.223 31.396 -0.173 18364 6003 1 11 . 1 1 39 39 LYS H H 39 8.042 8.042 8.602 -0.560 18364 6004 1 11 . 1 1 40 40 LEU N N 40 118.817 118.817 123.649 -4.832 18364 6005 1 11 . 1 1 40 40 LEU HA H 40 5.122 5.122 4.719 0.403 18364 6006 1 11 . 1 1 40 40 LEU CA C 40 50.156 50.156 54.072 -3.916 18364 6007 1 11 . 1 1 40 40 LEU CB C 40 42.172 42.172 42.387 -0.215 18364 6008 1 11 . 1 1 40 40 LEU H H 40 7.901 7.901 8.614 -0.713 18364 6009 1 11 . 1 1 41 41 TYR N N 41 117.843 117.843 116.889 0.954 18364 6010 1 11 . 1 1 41 41 TYR HA H 41 5.303 5.303 5.316 -0.013 18364 6011 1 11 . 1 1 41 41 TYR CA C 41 53.394 53.394 56.855 -3.461 18364 6012 1 11 . 1 1 41 41 TYR CB C 41 39.419 39.419 42.688 -3.268 18364 6013 1 11 . 1 1 41 41 TYR H H 41 9.109 9.109 9.246 -0.137 18364 6014 1 11 . 1 1 42 42 ASN N N 42 117.689 117.689 117.855 -0.166 18364 6015 1 11 . 1 1 42 42 ASN HA H 42 4.984 4.984 5.100 -0.116 18364 6016 1 11 . 1 1 42 42 ASN CA C 42 48.001 48.001 51.398 -3.397 18364 6017 1 11 . 1 1 42 42 ASN CB C 42 36.514 36.514 40.742 -4.228 18364 6018 1 11 . 1 1 42 42 ASN H H 42 8.239 8.239 8.563 -0.324 18364 6019 1 11 . 1 1 43 43 ASP N N 43 116.760 116.760 118.368 -1.608 18364 6020 1 11 . 1 1 43 43 ASP HA H 43 4.170 4.170 4.564 -0.394 18364 6021 1 11 . 1 1 43 43 ASP CA C 43 53.123 53.123 55.639 -2.515 18364 6022 1 11 . 1 1 43 43 ASP CB C 43 37.355 37.355 40.639 -3.284 18364 6023 1 11 . 1 1 43 43 ASP H H 43 8.650 8.650 8.725 -0.075 18364 6024 1 11 . 1 1 44 44 LYS N N 44 118.108 118.108 117.901 0.207 18364 6025 1 11 . 1 1 44 44 LYS HA H 44 4.359 4.359 4.249 0.110 18364 6026 1 11 . 1 1 44 44 LYS CA C 44 52.676 52.676 56.586 -3.910 18364 6027 1 11 . 1 1 44 44 LYS CB C 44 30.170 30.170 32.815 -2.645 18364 6028 1 11 . 1 1 44 44 LYS H H 44 7.505 7.505 8.284 -0.779 18364 6029 1 11 . 1 1 45 45 GLY N N 45 108.163 108.163 108.894 -0.731 18364 6030 1 11 . 1 1 45 45 GLY CA C 45 42.988 42.988 45.340 -2.352 18364 6031 1 11 . 1 1 45 45 GLY H H 45 8.117 8.117 7.819 0.298 18364 6032 1 11 . 1 1 46 46 GLU N N 46 120.173 120.173 119.032 1.141 18364 6033 1 11 . 1 1 46 46 GLU HA H 46 4.345 4.345 4.606 -0.261 18364 6034 1 11 . 1 1 46 46 GLU CA C 46 52.409 52.409 54.136 -1.727 18364 6035 1 11 . 1 1 46 46 GLU CB C 46 27.408 27.408 31.071 -3.663 18364 6036 1 11 . 1 1 46 46 GLU H H 46 7.884 7.884 8.273 -0.389 18364 6037 1 11 . 1 1 47 47 TYR N N 47 123.803 123.803 120.652 3.151 18364 6038 1 11 . 1 1 47 47 TYR HA H 47 4.351 4.351 4.093 0.258 18364 6039 1 11 . 1 1 47 47 TYR CA C 47 54.317 54.317 56.883 -2.566 18364 6040 1 11 . 1 1 47 47 TYR CB C 47 35.858 35.858 39.086 -3.228 18364 6041 1 11 . 1 1 47 47 TYR H H 47 8.710 8.710 8.419 0.291 18364 6042 1 11 . 1 1 48 48 ILE N N 48 123.458 123.458 118.038 5.420 18364 6043 1 11 . 1 1 48 48 ILE HA H 48 4.173 4.173 4.250 -0.077 18364 6044 1 11 . 1 1 48 48 ILE CA C 48 58.314 58.314 59.935 -1.621 18364 6045 1 11 . 1 1 48 48 ILE CB C 48 36.129 36.129 38.297 -2.168 18364 6046 1 11 . 1 1 48 48 ILE H H 48 8.416 8.416 8.253 0.163 18364 6047 1 11 . 1 1 49 49 GLY N N 49 107.257 107.257 110.330 -3.073 18364 6048 1 11 . 1 1 49 49 GLY CA C 49 41.367 41.367 44.845 -3.478 18364 6049 1 11 . 1 1 49 49 GLY H H 49 5.472 5.472 8.090 -2.618 18364 6050 1 11 . 1 1 50 50 ASP N N 50 116.887 116.887 114.764 2.123 18364 6051 1 11 . 1 1 50 50 ASP HA H 50 5.043 5.043 4.794 0.249 18364 6052 1 11 . 1 1 50 50 ASP CA C 50 50.588 50.588 53.966 -3.378 18364 6053 1 11 . 1 1 50 50 ASP CB C 50 37.448 37.448 42.255 -4.807 18364 6054 1 11 . 1 1 50 50 ASP H H 50 8.234 8.234 8.601 -0.367 18364 6055 1 11 . 1 1 51 51 SER N N 51 112.664 112.664 112.155 0.509 18364 6056 1 11 . 1 1 51 51 SER HA H 51 4.439 4.439 4.324 0.115 18364 6057 1 11 . 1 1 51 51 SER CA C 51 55.489 55.489 57.877 -2.388 18364 6058 1 11 . 1 1 51 51 SER CB C 51 61.559 61.559 64.943 -3.384 18364 6059 1 11 . 1 1 51 51 SER H H 51 7.689 7.689 7.581 0.108 18364 6060 1 11 . 1 1 52 52 TYR N N 52 122.672 122.672 115.771 6.901 18364 6061 1 11 . 1 1 52 52 TYR HA H 52 4.732 4.732 4.764 -0.032 18364 6062 1 11 . 1 1 52 52 TYR CA C 52 55.168 55.168 57.853 -2.685 18364 6063 1 11 . 1 1 52 52 TYR CB C 52 38.599 38.599 38.202 0.397 18364 6064 1 11 . 1 1 52 52 TYR H H 52 8.231 8.231 7.890 0.341 18364 6065 1 11 . 1 1 53 53 SER N N 53 123.803 123.803 116.462 7.341 18364 6066 1 11 . 1 1 53 53 SER HA H 53 5.429 5.429 5.562 -0.133 18364 6067 1 11 . 1 1 53 53 SER CA C 53 53.508 53.508 57.305 -3.797 18364 6068 1 11 . 1 1 53 53 SER CB C 53 61.674 61.674 65.117 -3.443 18364 6069 1 11 . 1 1 53 53 SER H H 53 8.008 8.008 8.621 -0.613 18364 6070 1 11 . 1 1 54 54 ALA N N 54 125.516 125.516 124.628 0.888 18364 6071 1 11 . 1 1 54 54 ALA HA H 54 4.289 4.289 4.921 -0.632 18364 6072 1 11 . 1 1 54 54 ALA CA C 54 49.097 49.097 50.423 -1.326 18364 6073 1 11 . 1 1 54 54 ALA CB C 54 20.259 20.259 22.396 -2.137 18364 6074 1 11 . 1 1 54 54 ALA H H 54 8.089 8.089 8.875 -0.786 18364 6075 1 11 . 1 1 55 55 GLN N N 55 118.838 118.838 119.515 -0.677 18364 6076 1 11 . 1 1 55 55 GLN HA H 55 4.975 4.975 5.172 -0.197 18364 6077 1 11 . 1 1 55 55 GLN CA C 55 52.306 52.306 53.935 -1.629 18364 6078 1 11 . 1 1 55 55 GLN CB C 55 26.138 26.138 32.300 -6.162 18364 6079 1 11 . 1 1 55 55 GLN H H 55 8.100 8.100 8.474 -0.374 18364 6080 1 11 . 1 1 56 56 ILE N N 56 124.748 124.748 127.449 -2.701 18364 6081 1 11 . 1 1 56 56 ILE HA H 56 4.246 4.246 4.080 0.166 18364 6082 1 11 . 1 1 56 56 ILE CA C 56 57.529 57.529 60.929 -3.400 18364 6083 1 11 . 1 1 56 56 ILE CB C 56 34.915 34.915 35.763 -0.848 18364 6084 1 11 . 1 1 56 56 ILE H H 56 8.910 8.910 8.967 -0.057 18364 6085 1 11 . 1 1 57 57 ARG N N 57 127.183 127.183 125.635 1.548 18364 6086 1 11 . 1 1 57 57 ARG HA H 57 4.777 4.777 4.673 0.104 18364 6087 1 11 . 1 1 57 57 ARG CA C 57 52.455 52.455 54.996 -2.541 18364 6088 1 11 . 1 1 57 57 ARG CB C 57 28.839 28.839 31.339 -2.500 18364 6089 1 11 . 1 1 57 57 ARG H H 57 8.979 8.979 8.427 0.552 18364 6090 1 11 . 1 1 58 58 THR N N 58 109.995 109.995 110.560 -0.565 18364 6091 1 11 . 1 1 58 58 THR HA H 58 4.529 4.529 4.549 -0.020 18364 6092 1 11 . 1 1 58 58 THR CA C 58 57.124 57.124 60.481 -3.357 18364 6093 1 11 . 1 1 58 58 THR CB C 58 68.143 68.143 70.470 -2.327 18364 6094 1 11 . 1 1 58 58 THR H H 58 7.150 7.150 7.449 -0.298 18364 6095 1 11 . 1 1 59 59 ALA N N 59 123.143 123.143 121.706 1.437 18364 6096 1 11 . 1 1 59 59 ALA HA H 59 4.167 4.167 4.205 -0.038 18364 6097 1 11 . 1 1 59 59 ALA CA C 59 52.603 52.603 53.855 -1.252 18364 6098 1 11 . 1 1 59 59 ALA CB C 59 16.910 16.910 19.152 -2.242 18364 6099 1 11 . 1 1 59 59 ALA H H 59 8.531 8.531 8.429 0.102 18364 6100 1 11 . 1 1 60 60 THR N N 60 105.988 105.988 108.086 -2.098 18364 6101 1 11 . 1 1 60 60 THR HA H 60 5.471 5.471 5.093 0.378 18364 6102 1 11 . 1 1 60 60 THR CA C 60 56.904 56.904 60.844 -3.940 18364 6103 1 11 . 1 1 60 60 THR CB C 60 69.111 69.111 71.833 -2.722 18364 6104 1 11 . 1 1 60 60 THR H H 60 7.521 7.521 7.587 -0.066 18364 6105 1 11 . 1 1 61 61 MET N N 61 124.706 124.706 120.626 4.080 18364 6106 1 11 . 1 1 61 61 MET HA H 61 4.641 4.641 4.962 -0.321 18364 6107 1 11 . 1 1 61 61 MET CA C 61 52.883 52.883 54.501 -1.618 18364 6108 1 11 . 1 1 61 61 MET CB C 61 32.345 32.345 37.633 -5.288 18364 6109 1 11 . 1 1 61 61 MET H H 61 8.758 8.758 9.182 -0.424 18364 6110 1 11 . 1 1 62 62 SER N N 62 117.004 117.004 114.288 2.716 18364 6111 1 11 . 1 1 62 62 SER HA H 62 5.551 5.551 5.251 0.300 18364 6112 1 11 . 1 1 62 62 SER CA C 62 54.255 54.255 57.847 -3.592 18364 6113 1 11 . 1 1 62 62 SER CB C 62 64.130 64.130 65.295 -1.165 18364 6114 1 11 . 1 1 62 62 SER H H 62 8.164 8.164 8.514 -0.350 18364 6115 1 11 . 1 1 63 63 CYS N N 63 120.270 120.270 118.049 2.221 18364 6116 1 11 . 1 1 63 63 CYS HA H 63 5.075 5.075 5.283 -0.208 18364 6117 1 11 . 1 1 63 63 CYS CA C 63 54.676 54.676 58.083 -3.406 18364 6118 1 11 . 1 1 63 63 CYS CB C 63 28.679 28.679 32.922 -4.242 18364 6119 1 11 . 1 1 63 63 CYS H H 63 8.537 8.537 8.657 -0.120 18364 6120 1 11 . 1 1 64 64 CYS N N 64 120.868 120.868 117.066 3.802 18364 6121 1 11 . 1 1 64 64 CYS HA H 64 5.918 5.918 5.415 0.503 18364 6122 1 11 . 1 1 64 64 CYS CA C 64 53.204 53.204 56.075 -2.871 18364 6123 1 11 . 1 1 64 64 CYS CB C 64 30.216 30.216 31.948 -1.732 18364 6124 1 11 . 1 1 64 64 CYS H H 64 9.307 9.307 9.264 0.043 18364 6125 1 11 . 1 1 65 65 THR N N 65 109.830 109.830 113.903 -4.073 18364 6126 1 11 . 1 1 65 65 THR HA H 65 5.426 5.426 4.850 0.576 18364 6127 1 11 . 1 1 65 65 THR CA C 65 58.465 58.465 60.608 -2.143 18364 6128 1 11 . 1 1 65 65 THR CB C 65 69.665 69.665 71.044 -1.379 18364 6129 1 11 . 1 1 65 65 THR H H 65 8.447 8.447 8.162 0.285 18364 6130 1 11 . 1 1 66 66 ASN N N 66 114.459 114.459 120.628 -6.169 18364 6131 1 11 . 1 1 66 66 ASN HA H 66 4.656 4.656 4.537 0.119 18364 6132 1 11 . 1 1 66 66 ASN CA C 66 49.879 49.879 52.709 -2.830 18364 6133 1 11 . 1 1 66 66 ASN CB C 66 36.267 36.267 38.961 -2.694 18364 6134 1 11 . 1 1 66 66 ASN H H 66 9.300 9.300 8.288 1.012 18364 6135 1 11 . 1 1 67 67 GLY N N 67 103.647 103.647 107.100 -3.453 18364 6136 1 11 . 1 1 67 67 GLY CA C 67 43.796 43.796 45.273 -1.477 18364 6137 1 11 . 1 1 67 67 GLY H H 67 8.237 8.237 8.700 -0.463 18364 6138 1 11 . 1 1 69 69 ALA N N 69 121.911 121.911 122.925 -1.014 18364 6139 1 11 . 1 1 69 69 ALA HA H 69 4.244 4.244 4.198 0.046 18364 6140 1 11 . 1 1 69 69 ALA CA C 69 49.758 49.758 52.679 -2.921 18364 6141 1 11 . 1 1 69 69 ALA CB C 69 17.376 17.376 19.381 -2.005 18364 6142 1 11 . 1 1 69 69 ALA H H 69 7.677 7.677 7.188 0.489 18364 6143 1 11 . 1 1 70 70 PHE N N 70 114.118 114.118 115.550 -1.432 18364 6144 1 11 . 1 1 70 70 PHE HA H 70 4.965 4.965 4.791 0.174 18364 6145 1 11 . 1 1 70 70 PHE CA C 70 53.129 53.129 57.647 -4.518 18364 6146 1 11 . 1 1 70 70 PHE CB C 70 37.917 37.917 41.760 -3.843 18364 6147 1 11 . 1 1 70 70 PHE H H 70 8.549 8.549 7.594 0.955 18364 6148 1 11 . 1 1 71 71 PHE N N 71 110.252 110.252 110.650 -0.398 18364 6149 1 11 . 1 1 71 71 PHE HA H 71 4.247 4.247 4.251 -0.004 18364 6150 1 11 . 1 1 71 71 PHE CA C 71 54.475 54.475 55.742 -1.267 18364 6151 1 11 . 1 1 71 71 PHE CB C 71 38.123 38.123 40.638 -2.515 18364 6152 1 11 . 1 1 71 71 PHE H H 71 6.617 6.617 6.879 -0.262 18364 6153 1 11 . 1 1 72 72 MET N N 72 118.637 118.637 118.436 0.201 18364 6154 1 11 . 1 1 72 72 MET HA H 72 4.800 4.800 4.967 -0.167 18364 6155 1 11 . 1 1 72 72 MET CA C 72 53.108 53.108 55.211 -2.103 18364 6156 1 11 . 1 1 72 72 MET CB C 72 35.826 35.826 36.780 -0.954 18364 6157 1 11 . 1 1 72 72 MET H H 72 8.162 8.162 8.344 -0.182 18364 6158 1 11 . 1 1 73 73 THR N N 73 117.278 117.278 116.920 0.358 18364 6159 1 11 . 1 1 73 73 THR HA H 73 5.018 5.018 4.964 0.054 18364 6160 1 11 . 1 1 73 73 THR CA C 73 58.316 58.316 60.936 -2.620 18364 6161 1 11 . 1 1 73 73 THR CB C 73 69.118 69.118 71.354 -2.236 18364 6162 1 11 . 1 1 73 73 THR H H 73 9.220 9.220 8.671 0.549 18364 6163 1 11 . 1 1 74 74 CYS N N 74 124.101 124.101 122.265 1.836 18364 6164 1 11 . 1 1 74 74 CYS HA H 74 5.076 5.076 4.797 0.279 18364 6165 1 11 . 1 1 74 74 CYS CA C 74 54.219 54.219 57.447 -3.228 18364 6166 1 11 . 1 1 74 74 CYS CB C 74 27.012 27.012 28.237 -1.225 18364 6167 1 11 . 1 1 74 74 CYS H H 74 8.958 8.958 8.572 0.386 18364 6168 1 11 . 1 1 75 75 ALA N N 75 132.901 132.901 123.580 9.321 18364 6169 1 11 . 1 1 75 75 ALA HA H 75 4.975 4.975 3.991 0.984 18364 6170 1 11 . 1 1 75 75 ALA CA C 75 47.826 47.826 52.803 -4.977 18364 6171 1 11 . 1 1 75 75 ALA CB C 75 18.111 18.111 18.751 -0.640 18364 6172 1 11 . 1 1 75 75 ALA H H 75 8.834 8.834 7.317 1.517 18364 6173 1 11 . 1 1 76 76 GLY N N 76 110.691 110.691 110.150 0.541 18364 6174 1 11 . 1 1 76 76 GLY CA C 76 41.784 41.784 44.411 -2.627 18364 6175 1 11 . 1 1 76 76 GLY H H 76 8.265 8.265 7.369 0.896 18364 6176 1 11 . 1 1 77 77 SER N N 77 115.145 115.145 112.995 2.150 18364 6177 1 11 . 1 1 77 77 SER HA H 77 4.980 4.980 5.263 -0.283 18364 6178 1 11 . 1 1 77 77 SER CA C 77 54.022 54.022 57.639 -3.617 18364 6179 1 11 . 1 1 77 77 SER CB C 77 62.987 62.987 66.870 -3.883 18364 6180 1 11 . 1 1 77 77 SER H H 77 8.723 8.723 9.013 -0.290 18364 6181 1 11 . 1 1 78 78 VAL N N 78 124.775 124.775 120.238 4.537 18364 6182 1 11 . 1 1 78 78 VAL HA H 78 4.634 4.634 5.127 -0.493 18364 6183 1 11 . 1 1 78 78 VAL CA C 78 58.437 58.437 60.794 -2.357 18364 6184 1 11 . 1 1 78 78 VAL CB C 78 32.177 32.177 35.409 -3.232 18364 6185 1 11 . 1 1 78 78 VAL H H 78 8.963 8.963 8.773 0.190 18364 6186 1 11 . 1 1 79 79 SER N N 79 118.951 118.951 119.032 -0.081 18364 6187 1 11 . 1 1 79 79 SER HA H 79 5.619 5.619 5.111 0.508 18364 6188 1 11 . 1 1 79 79 SER CA C 79 53.011 53.011 57.063 -4.052 18364 6189 1 11 . 1 1 79 79 SER CB C 79 64.197 64.197 66.766 -2.568 18364 6190 1 11 . 1 1 79 79 SER H H 79 8.661 8.661 8.932 -0.271 18364 6191 1 11 . 1 1 80 80 SER N N 80 114.750 114.750 114.561 0.189 18364 6192 1 11 . 1 1 80 80 SER HA H 80 4.439 4.439 4.480 -0.041 18364 6193 1 11 . 1 1 80 80 SER CA C 80 56.198 56.198 56.856 -0.658 18364 6194 1 11 . 1 1 80 80 SER CB C 80 63.490 63.490 64.258 -0.768 18364 6195 1 11 . 1 1 80 80 SER H H 80 8.563 8.563 8.782 -0.219 18364 6196 1 11 . 1 1 81 81 ILE N N 81 120.003 120.003 114.883 5.120 18364 6197 1 11 . 1 1 81 81 ILE HA H 81 4.576 4.576 4.449 0.127 18364 6198 1 11 . 1 1 81 81 ILE CA C 81 57.951 57.951 60.942 -2.991 18364 6199 1 11 . 1 1 81 81 ILE CB C 81 36.011 36.011 38.894 -2.883 18364 6200 1 11 . 1 1 81 81 ILE H H 81 8.366 8.366 8.472 -0.106 18364 6201 1 11 . 1 1 82 82 SER N N 82 119.139 119.139 117.234 1.905 18364 6202 1 11 . 1 1 82 82 SER HA H 82 4.158 4.158 4.614 -0.456 18364 6203 1 11 . 1 1 82 82 SER CA C 82 56.910 56.910 56.738 0.172 18364 6204 1 11 . 1 1 82 82 SER CB C 82 62.055 62.055 64.954 -2.899 18364 6205 1 11 . 1 1 82 82 SER H H 82 8.204 8.204 7.560 0.644 18364 6206 1 11 . 1 1 83 83 GLU N N 83 118.350 118.350 119.848 -1.498 18364 6207 1 11 . 1 1 83 83 GLU HA H 83 4.133 4.133 4.349 -0.216 18364 6208 1 11 . 1 1 83 83 GLU CA C 83 53.267 53.267 56.678 -3.411 18364 6209 1 11 . 1 1 83 83 GLU CB C 83 27.763 27.763 30.497 -2.734 18364 6210 1 11 . 1 1 83 83 GLU H H 83 8.381 8.381 8.685 -0.304 18364 6211 1 11 . 1 1 84 84 ALA N N 84 121.665 121.665 123.271 -1.606 18364 6212 1 11 . 1 1 84 84 ALA HA H 84 3.542 3.542 4.032 -0.490 18364 6213 1 11 . 1 1 84 84 ALA CA C 84 50.621 50.621 53.562 -2.941 18364 6214 1 11 . 1 1 84 84 ALA CB C 84 16.540 16.540 18.786 -2.246 18364 6215 1 11 . 1 1 84 84 ALA H H 84 8.482 8.482 8.449 0.033 18364 6216 1 11 . 1 1 85 85 GLY N N 85 108.356 108.356 107.583 0.773 18364 6217 1 11 . 1 1 85 85 GLY CA C 85 42.955 42.955 45.233 -2.279 18364 6218 1 11 . 1 1 85 85 GLY H H 85 8.078 8.078 8.696 -0.618 18364 6219 1 11 . 1 1 86 86 LYS N N 86 121.491 121.491 123.079 -1.588 18364 6220 1 11 . 1 1 86 86 LYS HA H 86 4.638 4.638 4.311 0.327 18364 6221 1 11 . 1 1 86 86 LYS CA C 86 51.073 51.073 55.523 -4.450 18364 6222 1 11 . 1 1 86 86 LYS CB C 86 29.750 29.750 32.093 -2.343 18364 6223 1 11 . 1 1 86 86 LYS H H 86 8.225 8.225 8.248 -0.023 18364 6224 1 11 . 1 1 87 87 ARG N N 87 121.874 121.874 123.142 -1.268 18364 6225 1 11 . 1 1 87 87 ARG HA H 87 5.673 5.673 4.797 0.876 18364 6226 1 11 . 1 1 87 87 ARG CA C 87 52.139 52.139 55.829 -3.690 18364 6227 1 11 . 1 1 87 87 ARG CB C 87 32.163 32.163 32.064 0.099 18364 6228 1 11 . 1 1 87 87 ARG H H 87 9.979 9.979 8.649 1.330 18364 6229 1 11 . 1 1 88 88 LEU N N 88 125.264 125.264 119.714 5.550 18364 6230 1 11 . 1 1 88 88 LEU HA H 88 4.562 4.562 5.030 -0.468 18364 6231 1 11 . 1 1 88 88 LEU CA C 88 50.284 50.284 54.473 -4.189 18364 6232 1 11 . 1 1 88 88 LEU CB C 88 42.309 42.309 45.962 -3.653 18364 6233 1 11 . 1 1 88 88 LEU H H 88 8.756 8.756 8.253 0.503 18364 6234 1 11 . 1 1 89 89 HIS N N 89 125.453 125.453 124.353 1.100 18364 6235 1 11 . 1 1 89 89 HIS HA H 89 5.188 5.188 5.294 -0.106 18364 6236 1 11 . 1 1 89 89 HIS CA C 89 51.389 51.389 54.477 -3.088 18364 6237 1 11 . 1 1 89 89 HIS CB C 89 27.731 27.731 34.061 -6.330 18364 6238 1 11 . 1 1 89 89 HIS H H 89 8.910 8.910 8.997 -0.087 18364 6239 1 11 . 1 1 90 90 ILE N N 90 126.486 126.486 124.319 2.167 18364 6240 1 11 . 1 1 90 90 ILE HA H 90 5.020 5.020 4.749 0.271 18364 6241 1 11 . 1 1 90 90 ILE CA C 90 55.642 55.642 59.732 -4.090 18364 6242 1 11 . 1 1 90 90 ILE CB C 90 38.696 38.696 42.155 -3.459 18364 6243 1 11 . 1 1 90 90 ILE H H 90 8.689 8.689 8.835 -0.146 18364 6244 1 11 . 1 1 91 91 THR N N 91 123.200 123.200 121.938 1.262 18364 6245 1 11 . 1 1 91 91 THR HA H 91 5.017 5.017 4.861 0.156 18364 6246 1 11 . 1 1 91 91 THR CA C 91 58.555 58.555 61.923 -3.368 18364 6247 1 11 . 1 1 91 91 THR CB C 91 68.702 68.702 71.728 -3.026 18364 6248 1 11 . 1 1 91 91 THR H H 91 8.636 8.636 8.383 0.253 18364 6249 1 11 . 1 1 92 92 VAL N N 92 127.071 127.071 126.601 0.470 18364 6250 1 11 . 1 1 92 92 VAL HA H 92 5.018 5.018 4.762 0.256 18364 6251 1 11 . 1 1 92 92 VAL CA C 92 57.969 57.969 61.518 -3.549 18364 6252 1 11 . 1 1 92 92 VAL CB C 92 31.323 31.323 35.661 -4.338 18364 6253 1 11 . 1 1 92 92 VAL H H 92 9.162 9.162 8.921 0.240 18364 6254 1 11 . 1 1 93 93 ILE N N 93 127.095 127.095 126.984 0.111 18364 6255 1 11 . 1 1 93 93 ILE HA H 93 4.461 4.461 4.890 -0.429 18364 6256 1 11 . 1 1 93 93 ILE CA C 93 57.972 57.972 59.300 -1.327 18364 6257 1 11 . 1 1 93 93 ILE CB C 93 38.929 38.929 42.778 -3.849 18364 6258 1 11 . 1 1 93 93 ILE H H 93 9.313 9.313 8.818 0.495 18364 6259 1 11 . 1 1 94 94 GLY N N 94 111.893 111.893 109.378 2.515 18364 6260 1 11 . 1 1 94 94 GLY CA C 94 41.781 41.781 44.288 -2.507 18364 6261 1 11 . 1 1 94 94 GLY H H 94 8.577 8.577 8.650 -0.073 18364 6262 1 11 . 1 1 95 95 TYR N N 95 123.099 123.099 121.780 1.319 18364 6263 1 11 . 1 1 95 95 TYR HA H 95 5.399 5.399 5.637 -0.238 18364 6264 1 11 . 1 1 95 95 TYR CA C 95 54.052 54.052 56.182 -2.130 18364 6265 1 11 . 1 1 95 95 TYR CB C 95 41.285 41.285 43.662 -2.377 18364 6266 1 11 . 1 1 95 95 TYR H H 95 9.640 9.640 9.252 0.388 18364 6267 1 11 . 1 1 96 96 ILE N N 96 116.705 116.705 121.461 -4.756 18364 6268 1 11 . 1 1 96 96 ILE HA H 96 4.208 4.208 4.005 0.203 18364 6269 1 11 . 1 1 96 96 ILE CA C 96 58.977 58.977 60.782 -1.805 18364 6270 1 11 . 1 1 96 96 ILE CB C 96 37.245 37.245 40.186 -2.941 18364 6271 1 11 . 1 1 96 96 ILE H H 96 8.270 8.270 8.984 -0.714 18364 6272 1 11 . 1 1 97 97 ASP N N 97 130.442 130.442 127.481 2.961 18364 6273 1 11 . 1 1 97 97 ASP HA H 97 4.165 4.165 4.231 -0.066 18364 6274 1 11 . 1 1 97 97 ASP CA C 97 53.736 53.736 57.713 -3.977 18364 6275 1 11 . 1 1 97 97 ASP CB C 97 36.870 36.870 40.529 -3.659 18364 6276 1 11 . 1 1 97 97 ASP H H 97 9.849 9.849 8.851 0.998 18364 6277 1 11 . 1 1 98 98 ASP N N 98 114.957 114.957 119.000 -4.043 18364 6278 1 11 . 1 1 98 98 ASP HA H 98 4.694 4.694 4.771 -0.077 18364 6279 1 11 . 1 1 98 98 ASP CB C 98 36.266 36.266 42.114 -5.848 18364 6280 1 11 . 1 1 98 98 ASP H H 98 8.355 8.355 8.139 0.216 18364 6281 1 11 . 1 1 99 99 LYS N N 99 121.680 121.680 119.485 2.195 18364 6282 1 11 . 1 1 99 99 LYS HA H 99 4.590 4.590 4.753 -0.163 18364 6283 1 11 . 1 1 99 99 LYS CA C 99 52.354 52.354 54.944 -2.590 18364 6284 1 11 . 1 1 99 99 LYS CB C 99 30.958 30.958 36.448 -5.490 18364 6285 1 11 . 1 1 99 99 LYS H H 99 8.049 8.049 7.868 0.181 18364 6286 1 11 . 1 1 100 100 GLU N N 100 127.574 127.574 124.332 3.242 18364 6287 1 11 . 1 1 100 100 GLU HA H 100 3.804 3.804 4.301 -0.497 18364 6288 1 11 . 1 1 100 100 GLU CA C 100 54.562 54.562 57.058 -2.496 18364 6289 1 11 . 1 1 100 100 GLU CB C 100 26.808 26.808 30.270 -3.462 18364 6290 1 11 . 1 1 100 100 GLU H H 100 8.839 8.839 8.878 -0.039 18364 6291 1 11 . 1 1 101 101 VAL N N 101 120.606 120.606 120.697 -0.091 18364 6292 1 11 . 1 1 101 101 VAL HA H 101 4.534 4.534 4.501 0.033 18364 6293 1 11 . 1 1 101 101 VAL CA C 101 58.379 58.379 62.326 -3.947 18364 6294 1 11 . 1 1 101 101 VAL CB C 101 31.223 31.223 33.984 -2.761 18364 6295 1 11 . 1 1 101 101 VAL H H 101 8.997 8.997 8.481 0.516 18364 6296 1 11 . 1 1 102 102 ASN N N 102 118.568 118.568 119.266 -0.698 18364 6297 1 11 . 1 1 102 102 ASN HA H 102 4.782 4.782 4.933 -0.151 18364 6298 1 11 . 1 1 102 102 ASN CA C 102 50.154 50.154 53.002 -2.848 18364 6299 1 11 . 1 1 102 102 ASN CB C 102 38.848 38.848 41.619 -2.771 18364 6300 1 11 . 1 1 102 102 ASN H H 102 7.598 7.598 7.651 -0.053 18364 6301 1 11 . 1 1 103 103 ARG N N 103 120.366 120.366 118.973 1.393 18364 6302 1 11 . 1 1 103 103 ARG HA H 103 5.051 5.051 5.189 -0.138 18364 6303 1 11 . 1 1 103 103 ARG CA C 103 52.900 52.900 55.376 -2.476 18364 6304 1 11 . 1 1 103 103 ARG CB C 103 31.710 31.710 32.815 -1.105 18364 6305 1 11 . 1 1 103 103 ARG H H 103 8.155 8.155 8.355 -0.201 18364 6306 1 11 . 1 1 104 104 LEU N N 104 128.859 128.859 115.796 13.063 18364 6307 1 11 . 1 1 104 104 LEU HA H 104 4.553 4.553 4.996 -0.443 18364 6308 1 11 . 1 1 104 104 LEU CA C 104 51.272 51.272 53.813 -2.541 18364 6309 1 11 . 1 1 104 104 LEU CB C 104 43.549 43.549 45.954 -2.405 18364 6310 1 11 . 1 1 104 104 LEU H H 104 9.271 9.271 8.867 0.404 18364 6311 1 11 . 1 1 105 105 GLU N N 105 125.663 125.663 117.969 7.694 18364 6312 1 11 . 1 1 105 105 GLU HA H 105 5.179 5.179 4.834 0.345 18364 6313 1 11 . 1 1 105 105 GLU CA C 105 51.966 51.966 55.003 -3.037 18364 6314 1 11 . 1 1 105 105 GLU CB C 105 29.358 29.358 32.912 -3.554 18364 6315 1 11 . 1 1 105 105 GLU H H 105 8.346 8.346 8.430 -0.084 18364 6316 1 11 . 1 1 106 106 LYS N N 106 123.659 123.659 120.008 3.651 18364 6317 1 11 . 1 1 106 106 LYS HA H 106 4.281 4.281 4.521 -0.240 18364 6318 1 11 . 1 1 106 106 LYS CA C 106 51.118 51.118 55.167 -4.049 18364 6319 1 11 . 1 1 106 106 LYS CB C 106 34.761 34.761 36.881 -2.120 18364 6320 1 11 . 1 1 106 106 LYS H H 106 8.526 8.526 8.188 0.338 18364 6321 1 11 . 1 1 107 107 GLU N N 107 121.917 121.917 119.701 2.216 18364 6322 1 11 . 1 1 107 107 GLU HA H 107 4.949 4.949 5.084 -0.135 18364 6323 1 11 . 1 1 107 107 GLU CA C 107 51.404 51.404 54.665 -3.261 18364 6324 1 11 . 1 1 107 107 GLU CB C 107 29.906 29.906 32.988 -3.082 18364 6325 1 11 . 1 1 107 107 GLU H H 107 7.773 7.773 7.997 -0.224 18364 6326 1 11 . 1 1 108 108 TYR N N 108 124.981 124.981 120.921 4.060 18364 6327 1 11 . 1 1 108 108 TYR HA H 108 4.720 4.720 4.822 -0.102 18364 6328 1 11 . 1 1 108 108 TYR CA C 108 54.188 54.188 57.014 -2.826 18364 6329 1 11 . 1 1 108 108 TYR CB C 108 39.101 39.101 43.152 -4.051 18364 6330 1 11 . 1 1 108 108 TYR H H 108 9.031 9.031 9.083 -0.052 18364 6331 1 11 . 1 1 109 109 ILE N N 109 121.680 121.680 119.729 1.951 18364 6332 1 11 . 1 1 109 109 ILE HA H 109 5.471 5.471 4.906 0.565 18364 6333 1 11 . 1 1 109 109 ILE CA C 109 56.592 56.592 60.139 -3.547 18364 6334 1 11 . 1 1 109 109 ILE CB C 109 38.728 38.728 42.203 -3.474 18364 6335 1 11 . 1 1 109 109 ILE H H 109 8.475 8.475 8.442 0.033 18364 6336 1 11 . 1 1 110 110 THR N N 110 117.537 117.537 115.974 1.563 18364 6337 1 11 . 1 1 110 110 THR HA H 110 4.521 4.521 4.518 0.003 18364 6338 1 11 . 1 1 110 110 THR CA C 110 59.337 59.337 61.942 -2.605 18364 6339 1 11 . 1 1 110 110 THR CB C 110 67.143 67.143 70.184 -3.041 18364 6340 1 11 . 1 1 110 110 THR H H 110 9.180 9.180 8.539 0.641 18364 6341 1 11 . 1 1 111 111 ASP N N 111 122.428 122.428 124.154 -1.726 18364 6342 1 11 . 1 1 111 111 ASP HA H 111 4.721 4.721 4.798 -0.077 18364 6343 1 11 . 1 1 111 111 ASP CA C 111 50.135 50.135 54.351 -4.216 18364 6344 1 11 . 1 1 111 111 ASP CB C 111 39.613 39.613 41.255 -1.642 18364 6345 1 11 . 1 1 111 111 ASP H H 111 9.342 9.342 8.778 0.564 18364 6346 1 11 . 1 1 112 112 GLY N N 112 110.714 110.714 106.775 3.939 18364 6347 1 11 . 1 1 112 112 GLY CA C 112 43.084 43.084 44.950 -1.866 18364 6348 1 11 . 1 1 112 112 GLY H H 112 8.333 8.333 8.381 -0.048 18364 6349 1 11 . 1 1 113 113 ASN N N 113 119.462 119.462 119.473 -0.011 18364 6350 1 11 . 1 1 113 113 ASN HA H 113 4.926 4.926 4.874 0.052 18364 6351 1 11 . 1 1 113 113 ASN CA C 113 49.373 49.373 52.728 -3.355 18364 6352 1 11 . 1 1 113 113 ASN CB C 113 37.377 37.377 38.993 -1.616 18364 6353 1 11 . 1 1 113 113 ASN H H 113 8.210 8.210 8.087 0.123 18364 6354 1 11 . 1 1 114 114 THR N N 114 117.962 117.962 112.147 5.815 18364 6355 1 11 . 1 1 114 114 THR HA H 114 4.136 4.136 4.059 0.077 18364 6356 1 11 . 1 1 114 114 THR CA C 114 62.066 62.066 62.292 -0.226 18364 6357 1 11 . 1 1 114 114 THR CB C 114 66.489 66.489 69.503 -3.014 18364 6358 1 11 . 1 1 114 114 THR H H 114 8.436 8.436 8.134 0.302 18364 6359 1 11 . 1 1 115 115 LEU N N 115 132.998 132.998 122.694 10.304 18364 6360 1 11 . 1 1 115 115 LEU HA H 115 4.607 4.607 4.799 -0.192 18364 6361 1 11 . 1 1 115 115 LEU CA C 115 52.335 52.335 54.591 -2.256 18364 6362 1 11 . 1 1 115 115 LEU CB C 115 41.546 41.546 45.676 -4.130 18364 6363 1 11 . 1 1 115 115 LEU H H 115 8.789 8.789 8.397 0.392 18364 6364 1 11 . 1 1 116 116 ILE N N 116 126.586 126.586 123.590 2.996 18364 6365 1 11 . 1 1 116 116 ILE HA H 116 4.784 4.784 5.082 -0.298 18364 6366 1 11 . 1 1 116 116 ILE CA C 116 58.270 58.270 60.389 -2.119 18364 6367 1 11 . 1 1 116 116 ILE CB C 116 37.909 37.909 41.736 -3.827 18364 6368 1 11 . 1 1 116 116 ILE H H 116 8.637 8.637 8.311 0.326 18364 6369 1 11 . 1 1 117 117 GLU N N 117 127.084 127.084 123.403 3.681 18364 6370 1 11 . 1 1 117 117 GLU HA H 117 4.830 4.830 4.824 0.006 18364 6371 1 11 . 1 1 117 117 GLU CA C 117 51.847 51.847 55.535 -3.688 18364 6372 1 11 . 1 1 117 117 GLU CB C 117 32.299 32.299 34.620 -2.321 18364 6373 1 11 . 1 1 117 117 GLU H H 117 8.933 8.933 8.940 -0.007 18364 6374 1 11 . 1 1 118 118 THR N N 118 110.826 110.826 111.492 -0.666 18364 6375 1 11 . 1 1 118 118 THR HA H 118 5.190 5.190 5.548 -0.358 18364 6376 1 11 . 1 1 118 118 THR CA C 118 57.036 57.036 60.470 -3.434 18364 6377 1 11 . 1 1 118 118 THR CB C 118 69.888 69.888 71.730 -1.841 18364 6378 1 11 . 1 1 118 118 THR H H 118 8.664 8.664 8.482 0.182 18364 6379 1 11 . 1 1 119 119 PHE N N 119 115.915 115.915 115.683 0.232 18364 6380 1 11 . 1 1 119 119 PHE HA H 119 4.999 4.999 5.010 -0.011 18364 6381 1 11 . 1 1 119 119 PHE CA C 119 53.804 53.804 57.264 -3.460 18364 6382 1 11 . 1 1 119 119 PHE CB C 119 39.787 39.787 41.331 -1.544 18364 6383 1 11 . 1 1 119 119 PHE H H 119 8.087 8.087 8.705 -0.618 18364 6384 1 11 . 1 1 120 120 SER N N 120 114.953 114.953 116.292 -1.339 18364 6385 1 11 . 1 1 120 120 SER HA H 120 5.383 5.383 4.699 0.684 18364 6386 1 11 . 1 1 120 120 SER CA C 120 55.192 55.192 57.591 -2.399 18364 6387 1 11 . 1 1 120 120 SER CB C 120 62.113 62.113 64.945 -2.832 18364 6388 1 11 . 1 1 120 120 SER H H 120 8.627 8.627 8.653 -0.026 18364 6389 1 11 . 1 1 121 121 VAL N N 121 124.122 124.122 123.303 0.819 18364 6390 1 11 . 1 1 121 121 VAL HA H 121 4.349 4.349 4.308 0.041 18364 6391 1 11 . 1 1 121 121 VAL CA C 121 59.005 59.005 62.087 -3.082 18364 6392 1 11 . 1 1 121 121 VAL CB C 121 34.127 34.127 33.841 0.286 18364 6393 1 11 . 1 1 121 121 VAL H H 121 8.866 8.866 8.270 0.596 18364 6394 1 11 . 1 1 122 122 SER N N 122 119.703 119.703 119.907 -0.204 18364 6395 1 11 . 1 1 122 122 SER HA H 122 5.598 5.598 5.030 0.568 18364 6396 1 11 . 1 1 122 122 SER CA C 122 53.065 53.065 57.924 -4.859 18364 6397 1 11 . 1 1 122 122 SER CB C 122 63.442 63.442 64.353 -0.911 18364 6398 1 11 . 1 1 122 122 SER H H 122 8.334 8.334 8.311 0.023 18364 6399 1 11 . 1 1 123 123 THR N N 123 113.276 113.276 110.962 2.314 18364 6400 1 11 . 1 1 123 123 THR HA H 123 4.093 4.093 4.715 -0.622 18364 6401 1 11 . 1 1 123 123 THR CA C 123 60.143 60.143 61.300 -1.157 18364 6402 1 11 . 1 1 123 123 THR CB C 123 64.437 64.437 69.944 -5.507 18364 6403 1 11 . 1 1 123 123 THR H H 123 8.898 8.898 8.267 0.631 18364 6404 1 11 . 1 1 124 124 LYS N N 124 119.191 119.191 120.538 -1.347 18364 6405 1 11 . 1 1 124 124 LYS HA H 124 4.324 4.324 4.574 -0.250 18364 6406 1 11 . 1 1 124 124 LYS CA C 124 53.486 53.486 56.784 -3.298 18364 6407 1 11 . 1 1 124 124 LYS CB C 124 32.376 32.376 34.628 -2.252 18364 6408 1 11 . 1 1 124 124 LYS H H 124 7.569 7.569 7.669 -0.100 18364 6409 1 11 . 1 1 125 125 GLU N N 125 124.243 124.243 124.979 -0.736 18364 6410 1 11 . 1 1 125 125 GLU HA H 125 4.255 4.255 4.730 -0.475 18364 6411 1 11 . 1 1 125 125 GLU CA C 125 53.830 53.830 55.790 -1.960 18364 6412 1 11 . 1 1 125 125 GLU CB C 125 27.674 27.674 31.897 -4.223 18364 6413 1 11 . 1 1 125 125 GLU H H 125 8.359 8.359 8.436 -0.077 18364 6414 1 12 . 1 1 2 2 ALA CA C 2 50.698 50.698 51.816 -1.118 18364 6415 1 12 . 1 1 2 2 ALA CB C 2 16.688 16.688 18.866 -2.178 18364 6416 1 12 . 1 1 3 3 SER N N 3 113.663 113.663 116.987 -3.324 18364 6417 1 12 . 1 1 3 3 SER HA H 3 4.296 4.296 4.566 -0.271 18364 6418 1 12 . 1 1 3 3 SER CA C 3 55.573 55.573 57.489 -1.916 18364 6419 1 12 . 1 1 3 3 SER CB C 3 60.888 60.888 65.241 -4.353 18364 6420 1 12 . 1 1 3 3 SER H H 3 8.301 8.301 8.447 -0.146 18364 6421 1 12 . 1 1 4 4 ASP N N 4 121.532 121.532 121.538 -0.006 18364 6422 1 12 . 1 1 4 4 ASP HA H 4 4.394 4.394 4.814 -0.420 18364 6423 1 12 . 1 1 4 4 ASP CA C 4 51.748 51.748 55.116 -3.368 18364 6424 1 12 . 1 1 4 4 ASP CB C 4 38.614 38.614 41.317 -2.703 18364 6425 1 12 . 1 1 4 4 ASP H H 4 7.874 7.874 8.416 -0.542 18364 6426 1 12 . 1 1 5 5 PHE N N 5 119.126 119.126 121.542 -2.416 18364 6427 1 12 . 1 1 5 5 PHE HA H 5 4.535 4.535 4.711 -0.176 18364 6428 1 12 . 1 1 5 5 PHE CA C 5 54.589 54.589 58.112 -3.523 18364 6429 1 12 . 1 1 5 5 PHE CB C 5 37.079 37.079 40.385 -3.306 18364 6430 1 12 . 1 1 5 5 PHE H H 5 7.832 7.832 8.507 -0.675 18364 6431 1 12 . 1 1 6 6 GLN N N 6 122.092 122.092 120.328 1.764 18364 6432 1 12 . 1 1 6 6 GLN HA H 6 4.417 4.417 4.630 -0.213 18364 6433 1 12 . 1 1 6 6 GLN CA C 6 53.128 53.128 55.367 -2.240 18364 6434 1 12 . 1 1 6 6 GLN CB C 6 27.477 27.477 30.212 -2.736 18364 6435 1 12 . 1 1 6 6 GLN H H 6 8.447 8.447 8.099 0.348 18364 6436 1 12 . 1 1 7 7 THR N N 7 114.717 114.717 115.607 -0.890 18364 6437 1 12 . 1 1 7 7 THR HA H 7 5.035 5.035 4.503 0.532 18364 6438 1 12 . 1 1 7 7 THR CA C 7 57.906 57.906 61.662 -3.756 18364 6439 1 12 . 1 1 7 7 THR CB C 7 68.370 68.370 70.355 -1.985 18364 6440 1 12 . 1 1 7 7 THR H H 7 8.145 8.145 8.006 0.139 18364 6441 1 12 . 1 1 8 8 GLY N N 8 111.628 111.628 109.561 2.067 18364 6442 1 12 . 1 1 8 8 GLY CA C 8 43.774 43.774 45.114 -1.340 18364 6443 1 12 . 1 1 8 8 GLY H H 8 9.234 9.234 8.122 1.112 18364 6444 1 12 . 1 1 9 9 ILE N N 9 119.585 119.585 123.633 -4.048 18364 6445 1 12 . 1 1 9 9 ILE HA H 9 3.934 3.934 4.310 -0.376 18364 6446 1 12 . 1 1 9 9 ILE CA C 9 58.907 58.907 60.120 -1.213 18364 6447 1 12 . 1 1 9 9 ILE CB C 9 35.738 35.738 37.511 -1.773 18364 6448 1 12 . 1 1 9 9 ILE H H 9 8.603 8.603 8.071 0.532 18364 6449 1 12 . 1 1 10 10 HIS N N 10 133.616 133.616 127.360 6.256 18364 6450 1 12 . 1 1 10 10 HIS HA H 10 5.185 5.185 5.271 -0.086 18364 6451 1 12 . 1 1 10 10 HIS CA C 10 53.587 53.587 55.631 -2.044 18364 6452 1 12 . 1 1 10 10 HIS CB C 10 30.817 30.817 31.714 -0.897 18364 6453 1 12 . 1 1 10 10 HIS H H 10 8.599 8.599 8.291 0.308 18364 6454 1 12 . 1 1 11 11 LYS N N 11 122.949 122.949 120.801 2.148 18364 6455 1 12 . 1 1 11 11 LYS HA H 11 5.236 5.236 5.310 -0.074 18364 6456 1 12 . 1 1 11 11 LYS CA C 11 52.748 52.748 54.936 -2.188 18364 6457 1 12 . 1 1 11 11 LYS CB C 11 35.137 35.137 36.508 -1.371 18364 6458 1 12 . 1 1 11 11 LYS H H 11 8.775 8.775 8.904 -0.129 18364 6459 1 12 . 1 1 12 12 ILE N N 12 125.260 125.260 122.698 2.562 18364 6460 1 12 . 1 1 12 12 ILE HA H 12 5.273 5.273 5.322 -0.049 18364 6461 1 12 . 1 1 12 12 ILE CA C 12 55.780 55.780 58.298 -2.518 18364 6462 1 12 . 1 1 12 12 ILE CB C 12 38.767 38.767 41.196 -2.429 18364 6463 1 12 . 1 1 12 12 ILE H H 12 8.578 8.578 9.025 -0.447 18364 6464 1 12 . 1 1 13 13 VAL N N 13 126.515 126.515 124.580 1.935 18364 6465 1 12 . 1 1 13 13 VAL HA H 13 4.795 4.795 4.759 0.036 18364 6466 1 12 . 1 1 13 13 VAL CA C 13 58.115 58.115 61.396 -3.281 18364 6467 1 12 . 1 1 13 13 VAL CB C 13 32.948 32.948 34.894 -1.946 18364 6468 1 12 . 1 1 13 13 VAL H H 13 9.052 9.052 8.974 0.078 18364 6469 1 12 . 1 1 14 14 ILE N N 14 125.803 125.803 126.442 -0.639 18364 6470 1 12 . 1 1 14 14 ILE HA H 14 5.008 5.008 4.983 0.025 18364 6471 1 12 . 1 1 14 14 ILE CA C 14 57.539 57.539 59.925 -2.386 18364 6472 1 12 . 1 1 14 14 ILE CB C 14 38.656 38.656 41.756 -3.100 18364 6473 1 12 . 1 1 14 14 ILE H H 14 8.974 8.974 8.880 0.094 18364 6474 1 12 . 1 1 15 15 GLN N N 15 125.773 125.773 122.179 3.594 18364 6475 1 12 . 1 1 15 15 GLN HA H 15 5.433 5.433 5.320 0.113 18364 6476 1 12 . 1 1 15 15 GLN CA C 15 51.002 51.002 54.335 -3.333 18364 6477 1 12 . 1 1 15 15 GLN CB C 15 29.637 29.637 33.784 -4.147 18364 6478 1 12 . 1 1 15 15 GLN H H 15 9.244 9.244 8.986 0.258 18364 6479 1 12 . 1 1 16 16 GLN N N 16 119.832 119.832 118.712 1.120 18364 6480 1 12 . 1 1 16 16 GLN HA H 16 5.741 5.741 5.673 0.068 18364 6481 1 12 . 1 1 16 16 GLN CA C 16 50.572 50.572 54.148 -3.576 18364 6482 1 12 . 1 1 16 16 GLN CB C 16 30.039 30.039 32.851 -2.812 18364 6483 1 12 . 1 1 16 16 GLN H H 16 8.964 8.964 8.836 0.128 18364 6484 1 12 . 1 1 17 17 SER N N 17 115.201 115.201 116.728 -1.527 18364 6485 1 12 . 1 1 17 17 SER HA H 17 4.526 4.526 4.912 -0.386 18364 6486 1 12 . 1 1 17 17 SER CA C 17 54.831 54.831 58.063 -3.232 18364 6487 1 12 . 1 1 17 17 SER CB C 17 62.930 62.930 66.593 -3.663 18364 6488 1 12 . 1 1 17 17 SER H H 17 8.770 8.770 8.538 0.232 18364 6489 1 12 . 1 1 18 18 GLY N N 18 109.321 109.321 111.531 -2.210 18364 6490 1 12 . 1 1 18 18 GLY CA C 18 41.737 41.737 45.067 -3.330 18364 6491 1 12 . 1 1 18 18 GLY H H 18 8.798 8.798 8.461 0.337 18364 6492 1 12 . 1 1 19 19 ASP N N 19 128.121 128.121 125.883 2.238 18364 6493 1 12 . 1 1 19 19 ASP HA H 19 5.071 5.071 4.992 0.079 18364 6494 1 12 . 1 1 19 19 ASP CA C 19 51.251 51.251 52.735 -1.484 18364 6495 1 12 . 1 1 19 19 ASP CB C 19 37.872 37.872 40.583 -2.711 18364 6496 1 12 . 1 1 19 19 ASP H H 19 9.708 9.708 8.307 1.401 18364 6497 1 12 . 1 1 20 20 THR N N 20 111.610 111.610 115.851 -4.241 18364 6498 1 12 . 1 1 20 20 THR HA H 20 3.615 3.615 4.480 -0.865 18364 6499 1 12 . 1 1 20 20 THR CA C 20 63.331 63.331 63.502 -0.171 18364 6500 1 12 . 1 1 20 20 THR CB C 20 64.873 64.873 68.744 -3.871 18364 6501 1 12 . 1 1 20 20 THR H H 20 8.136 8.136 8.704 -0.568 18364 6502 1 12 . 1 1 21 21 ASP N N 21 118.304 118.304 121.310 -3.006 18364 6503 1 12 . 1 1 21 21 ASP HA H 21 4.639 4.639 4.818 -0.179 18364 6504 1 12 . 1 1 21 21 ASP CA C 21 52.945 52.945 55.789 -2.844 18364 6505 1 12 . 1 1 21 21 ASP CB C 21 37.785 37.785 42.571 -4.786 18364 6506 1 12 . 1 1 21 21 ASP H H 21 8.566 8.566 8.606 -0.040 18364 6507 1 12 . 1 1 22 22 SER N N 22 114.253 114.253 113.350 0.903 18364 6508 1 12 . 1 1 22 22 SER HA H 22 4.384 4.384 4.738 -0.354 18364 6509 1 12 . 1 1 22 22 SER CA C 22 57.170 57.170 58.120 -0.950 18364 6510 1 12 . 1 1 22 22 SER CB C 22 61.441 61.441 63.548 -2.107 18364 6511 1 12 . 1 1 22 22 SER H H 22 8.076 8.076 8.684 -0.608 18364 6512 1 12 . 1 1 23 23 PHE N N 23 119.853 119.853 121.461 -1.608 18364 6513 1 12 . 1 1 23 23 PHE HA H 23 5.010 5.010 5.471 -0.461 18364 6514 1 12 . 1 1 23 23 PHE CA C 23 53.272 53.272 56.187 -2.915 18364 6515 1 12 . 1 1 23 23 PHE CB C 23 42.021 42.021 42.223 -0.202 18364 6516 1 12 . 1 1 23 23 PHE H H 23 7.611 7.611 7.687 -0.076 18364 6517 1 12 . 1 1 24 24 GLU N N 24 119.255 119.255 129.109 -9.854 18364 6518 1 12 . 1 1 24 24 GLU HA H 24 4.571 4.571 4.520 0.051 18364 6519 1 12 . 1 1 24 24 GLU CA C 24 52.642 52.642 54.714 -2.072 18364 6520 1 12 . 1 1 24 24 GLU CB C 24 28.881 28.881 29.524 -0.643 18364 6521 1 12 . 1 1 24 24 GLU H H 24 8.958 8.958 8.689 0.269 18364 6522 1 12 . 1 1 25 25 VAL N N 25 130.637 130.637 125.786 4.851 18364 6523 1 12 . 1 1 25 25 VAL HA H 25 4.859 4.859 3.981 0.878 18364 6524 1 12 . 1 1 25 25 VAL CA C 25 58.548 58.548 61.891 -3.343 18364 6525 1 12 . 1 1 25 25 VAL CB C 25 30.439 30.439 30.453 -0.014 18364 6526 1 12 . 1 1 25 25 VAL H H 25 9.678 9.678 7.561 2.117 18364 6527 1 12 . 1 1 26 26 SER N N 26 122.555 122.555 122.450 0.105 18364 6528 1 12 . 1 1 26 26 SER HA H 26 5.289 5.289 4.831 0.458 18364 6529 1 12 . 1 1 26 26 SER CA C 26 54.088 54.088 56.450 -2.362 18364 6530 1 12 . 1 1 26 26 SER CB C 26 62.476 62.476 64.674 -2.199 18364 6531 1 12 . 1 1 26 26 SER H H 26 8.883 8.883 8.980 -0.097 18364 6532 1 12 . 1 1 27 27 VAL N N 27 113.682 113.682 121.391 -7.709 18364 6533 1 12 . 1 1 27 27 VAL HA H 27 5.269 5.269 4.565 0.704 18364 6534 1 12 . 1 1 27 27 VAL CA C 27 56.005 56.005 59.704 -3.699 18364 6535 1 12 . 1 1 27 27 VAL CB C 27 34.158 34.158 34.264 -0.105 18364 6536 1 12 . 1 1 27 27 VAL H H 27 8.493 8.493 8.095 0.398 18364 6537 1 12 . 1 1 28 28 SER N N 28 116.852 116.852 121.349 -4.497 18364 6538 1 12 . 1 1 28 28 SER HA H 28 5.410 5.410 4.701 0.709 18364 6539 1 12 . 1 1 28 28 SER CA C 28 54.633 54.633 58.878 -4.245 18364 6540 1 12 . 1 1 28 28 SER CB C 28 62.095 62.095 63.910 -1.815 18364 6541 1 12 . 1 1 28 28 SER H H 28 8.709 8.709 8.193 0.516 18364 6542 1 12 . 1 1 29 29 ILE N N 29 128.765 128.765 126.612 2.153 18364 6543 1 12 . 1 1 29 29 ILE HA H 29 5.224 5.224 4.677 0.547 18364 6544 1 12 . 1 1 29 29 ILE CA C 29 57.247 57.247 60.213 -2.966 18364 6545 1 12 . 1 1 29 29 ILE CB C 29 39.144 39.144 39.696 -0.552 18364 6546 1 12 . 1 1 29 29 ILE H H 29 9.631 9.631 8.769 0.862 18364 6547 1 12 . 1 1 30 30 GLY N N 30 112.478 112.478 113.124 -0.646 18364 6548 1 12 . 1 1 30 30 GLY CA C 30 42.140 42.140 43.969 -1.829 18364 6549 1 12 . 1 1 30 30 GLY H H 30 8.095 8.095 7.744 0.351 18364 6550 1 12 . 1 1 31 31 GLY N N 31 108.502 108.502 104.233 4.269 18364 6551 1 12 . 1 1 31 31 GLY CA C 31 43.201 43.201 44.926 -1.725 18364 6552 1 12 . 1 1 31 31 GLY H H 31 9.755 9.755 8.098 1.657 18364 6553 1 12 . 1 1 32 32 ALA N N 32 122.020 122.020 120.375 1.645 18364 6554 1 12 . 1 1 32 32 ALA HA H 32 4.967 4.967 5.338 -0.371 18364 6555 1 12 . 1 1 32 32 ALA CA C 32 48.540 48.540 49.347 -0.807 18364 6556 1 12 . 1 1 32 32 ALA CB C 32 21.078 21.078 22.725 -1.647 18364 6557 1 12 . 1 1 32 32 ALA H H 32 7.338 7.338 7.002 0.336 18364 6558 1 12 . 1 1 33 33 ASP N N 33 121.217 121.217 118.864 2.353 18364 6559 1 12 . 1 1 33 33 ASP HA H 33 3.680 3.680 5.020 -1.340 18364 6560 1 12 . 1 1 33 33 ASP CA C 33 49.520 49.520 52.632 -3.112 18364 6561 1 12 . 1 1 33 33 ASP CB C 33 40.840 40.840 43.078 -2.238 18364 6562 1 12 . 1 1 33 33 ASP H H 33 8.945 8.945 8.586 0.359 18364 6563 1 12 . 1 1 34 34 LYS N N 34 117.693 117.693 119.013 -1.320 18364 6564 1 12 . 1 1 34 34 LYS HA H 34 4.017 4.017 4.437 -0.420 18364 6565 1 12 . 1 1 34 34 LYS CA C 34 56.700 56.700 57.881 -1.181 18364 6566 1 12 . 1 1 34 34 LYS CB C 34 29.772 29.772 32.941 -3.169 18364 6567 1 12 . 1 1 34 34 LYS H H 34 8.200 8.200 8.280 -0.080 18364 6568 1 12 . 1 1 35 35 GLY N N 35 106.697 106.697 105.134 1.563 18364 6569 1 12 . 1 1 35 35 GLY CA C 35 42.719 42.719 44.969 -2.250 18364 6570 1 12 . 1 1 35 35 GLY H H 35 8.653 8.653 8.444 0.209 18364 6571 1 12 . 1 1 36 36 GLY N N 36 110.824 110.824 109.052 1.772 18364 6572 1 12 . 1 1 36 36 GLY CA C 36 41.099 41.099 45.484 -4.385 18364 6573 1 12 . 1 1 36 36 GLY H H 36 7.601 7.601 8.799 -1.198 18364 6574 1 12 . 1 1 37 37 PRO HA H 37 4.571 4.571 4.722 -0.151 18364 6575 1 12 . 1 1 37 37 PRO CA C 37 60.012 60.012 61.934 -1.922 18364 6576 1 12 . 1 1 37 37 PRO CB C 37 29.470 29.470 32.594 -3.124 18364 6577 1 12 . 1 1 38 38 ALA N N 38 127.841 127.841 127.566 0.275 18364 6578 1 12 . 1 1 38 38 ALA HA H 38 4.127 4.127 4.311 -0.184 18364 6579 1 12 . 1 1 38 38 ALA CA C 38 48.117 48.117 50.844 -2.728 18364 6580 1 12 . 1 1 38 38 ALA CB C 38 16.655 16.655 19.789 -3.134 18364 6581 1 12 . 1 1 38 38 ALA H H 38 7.486 7.486 8.227 -0.741 18364 6582 1 12 . 1 1 39 39 LYS N N 39 121.148 121.148 125.567 -4.419 18364 6583 1 12 . 1 1 39 39 LYS HA H 39 4.115 4.115 4.275 -0.160 18364 6584 1 12 . 1 1 39 39 LYS CA C 39 55.674 55.674 56.942 -1.268 18364 6585 1 12 . 1 1 39 39 LYS CB C 39 31.223 31.223 32.154 -0.931 18364 6586 1 12 . 1 1 39 39 LYS H H 39 8.042 8.042 8.580 -0.538 18364 6587 1 12 . 1 1 40 40 LEU N N 40 118.817 118.817 123.703 -4.886 18364 6588 1 12 . 1 1 40 40 LEU HA H 40 5.122 5.122 4.644 0.478 18364 6589 1 12 . 1 1 40 40 LEU CA C 40 50.156 50.156 53.542 -3.386 18364 6590 1 12 . 1 1 40 40 LEU CB C 40 42.172 42.172 42.505 -0.333 18364 6591 1 12 . 1 1 40 40 LEU H H 40 7.901 7.901 8.710 -0.809 18364 6592 1 12 . 1 1 41 41 TYR N N 41 117.843 117.843 117.070 0.773 18364 6593 1 12 . 1 1 41 41 TYR HA H 41 5.303 5.303 5.103 0.200 18364 6594 1 12 . 1 1 41 41 TYR CA C 41 53.394 53.394 56.727 -3.333 18364 6595 1 12 . 1 1 41 41 TYR CB C 41 39.419 39.419 42.221 -2.802 18364 6596 1 12 . 1 1 41 41 TYR H H 41 9.109 9.109 8.650 0.459 18364 6597 1 12 . 1 1 42 42 ASN N N 42 117.689 117.689 118.554 -0.865 18364 6598 1 12 . 1 1 42 42 ASN HA H 42 4.984 4.984 5.019 -0.035 18364 6599 1 12 . 1 1 42 42 ASN CA C 42 48.001 48.001 51.617 -3.616 18364 6600 1 12 . 1 1 42 42 ASN CB C 42 36.514 36.514 40.055 -3.541 18364 6601 1 12 . 1 1 42 42 ASN H H 42 8.239 8.239 8.847 -0.608 18364 6602 1 12 . 1 1 43 43 ASP N N 43 116.760 116.760 120.028 -3.268 18364 6603 1 12 . 1 1 43 43 ASP HA H 43 4.170 4.170 4.461 -0.291 18364 6604 1 12 . 1 1 43 43 ASP CA C 43 53.123 53.123 56.214 -3.091 18364 6605 1 12 . 1 1 43 43 ASP CB C 43 37.355 37.355 40.776 -3.421 18364 6606 1 12 . 1 1 43 43 ASP H H 43 8.650 8.650 8.841 -0.191 18364 6607 1 12 . 1 1 44 44 LYS N N 44 118.108 118.108 116.886 1.222 18364 6608 1 12 . 1 1 44 44 LYS HA H 44 4.359 4.359 4.208 0.151 18364 6609 1 12 . 1 1 44 44 LYS CA C 44 52.676 52.676 56.460 -3.784 18364 6610 1 12 . 1 1 44 44 LYS CB C 44 30.170 30.170 33.048 -2.878 18364 6611 1 12 . 1 1 44 44 LYS H H 44 7.505 7.505 8.269 -0.764 18364 6612 1 12 . 1 1 45 45 GLY N N 45 108.163 108.163 107.283 0.880 18364 6613 1 12 . 1 1 45 45 GLY CA C 45 42.988 42.988 44.982 -1.994 18364 6614 1 12 . 1 1 45 45 GLY H H 45 8.117 8.117 7.758 0.359 18364 6615 1 12 . 1 1 46 46 GLU N N 46 120.173 120.173 118.946 1.227 18364 6616 1 12 . 1 1 46 46 GLU HA H 46 4.345 4.345 4.706 -0.361 18364 6617 1 12 . 1 1 46 46 GLU CA C 46 52.409 52.409 55.024 -2.615 18364 6618 1 12 . 1 1 46 46 GLU CB C 46 27.408 27.408 30.608 -3.200 18364 6619 1 12 . 1 1 46 46 GLU H H 46 7.884 7.884 8.089 -0.205 18364 6620 1 12 . 1 1 47 47 TYR N N 47 123.803 123.803 121.746 2.057 18364 6621 1 12 . 1 1 47 47 TYR HA H 47 4.351 4.351 4.003 0.348 18364 6622 1 12 . 1 1 47 47 TYR CA C 47 54.317 54.317 57.747 -3.430 18364 6623 1 12 . 1 1 47 47 TYR CB C 47 35.858 35.858 38.526 -2.668 18364 6624 1 12 . 1 1 47 47 TYR H H 47 8.710 8.710 8.610 0.100 18364 6625 1 12 . 1 1 48 48 ILE N N 48 123.458 123.458 118.475 4.983 18364 6626 1 12 . 1 1 48 48 ILE HA H 48 4.173 4.173 4.450 -0.277 18364 6627 1 12 . 1 1 48 48 ILE CA C 48 58.314 58.314 61.028 -2.714 18364 6628 1 12 . 1 1 48 48 ILE CB C 48 36.129 36.129 39.757 -3.628 18364 6629 1 12 . 1 1 48 48 ILE H H 48 8.416 8.416 8.361 0.055 18364 6630 1 12 . 1 1 49 49 GLY N N 49 107.257 107.257 109.626 -2.369 18364 6631 1 12 . 1 1 49 49 GLY CA C 49 41.367 41.367 45.814 -4.447 18364 6632 1 12 . 1 1 49 49 GLY H H 49 5.472 5.472 7.536 -2.064 18364 6633 1 12 . 1 1 50 50 ASP N N 50 116.887 116.887 116.649 0.238 18364 6634 1 12 . 1 1 50 50 ASP HA H 50 5.043 5.043 5.133 -0.090 18364 6635 1 12 . 1 1 50 50 ASP CA C 50 50.588 50.588 53.108 -2.520 18364 6636 1 12 . 1 1 50 50 ASP CB C 50 37.448 37.448 42.117 -4.669 18364 6637 1 12 . 1 1 50 50 ASP H H 50 8.234 8.234 8.607 -0.373 18364 6638 1 12 . 1 1 51 51 SER N N 51 112.664 112.664 112.850 -0.186 18364 6639 1 12 . 1 1 51 51 SER HA H 51 4.439 4.439 4.620 -0.181 18364 6640 1 12 . 1 1 51 51 SER CA C 51 55.489 55.489 57.845 -2.356 18364 6641 1 12 . 1 1 51 51 SER CB C 51 61.559 61.559 65.379 -3.820 18364 6642 1 12 . 1 1 51 51 SER H H 51 7.689 7.689 7.503 0.186 18364 6643 1 12 . 1 1 52 52 TYR N N 52 122.672 122.672 120.113 2.559 18364 6644 1 12 . 1 1 52 52 TYR HA H 52 4.732 4.732 4.822 -0.090 18364 6645 1 12 . 1 1 52 52 TYR CA C 52 55.168 55.168 57.365 -2.197 18364 6646 1 12 . 1 1 52 52 TYR CB C 52 38.599 38.599 39.155 -0.556 18364 6647 1 12 . 1 1 52 52 TYR H H 52 8.231 8.231 7.894 0.337 18364 6648 1 12 . 1 1 53 53 SER N N 53 123.803 123.803 116.430 7.373 18364 6649 1 12 . 1 1 53 53 SER HA H 53 5.429 5.429 5.559 -0.130 18364 6650 1 12 . 1 1 53 53 SER CA C 53 53.508 53.508 56.508 -3.000 18364 6651 1 12 . 1 1 53 53 SER CB C 53 61.674 61.674 66.403 -4.729 18364 6652 1 12 . 1 1 53 53 SER H H 53 8.008 8.008 8.684 -0.676 18364 6653 1 12 . 1 1 54 54 ALA N N 54 125.516 125.516 123.234 2.282 18364 6654 1 12 . 1 1 54 54 ALA HA H 54 4.289 4.289 4.677 -0.388 18364 6655 1 12 . 1 1 54 54 ALA CA C 54 49.097 49.097 51.867 -2.770 18364 6656 1 12 . 1 1 54 54 ALA CB C 54 20.259 20.259 21.585 -1.326 18364 6657 1 12 . 1 1 54 54 ALA H H 54 8.089 8.089 8.730 -0.641 18364 6658 1 12 . 1 1 55 55 GLN N N 55 118.838 118.838 125.016 -6.178 18364 6659 1 12 . 1 1 55 55 GLN HA H 55 4.975 4.975 4.564 0.411 18364 6660 1 12 . 1 1 55 55 GLN CA C 55 52.306 52.306 55.510 -3.204 18364 6661 1 12 . 1 1 55 55 GLN CB C 55 26.138 26.138 29.602 -3.465 18364 6662 1 12 . 1 1 55 55 GLN H H 55 8.100 8.100 8.466 -0.366 18364 6663 1 12 . 1 1 56 56 ILE N N 56 124.748 124.748 128.181 -3.433 18364 6664 1 12 . 1 1 56 56 ILE HA H 56 4.246 4.246 4.013 0.233 18364 6665 1 12 . 1 1 56 56 ILE CA C 56 57.529 57.529 60.545 -3.016 18364 6666 1 12 . 1 1 56 56 ILE CB C 56 34.915 34.915 35.141 -0.226 18364 6667 1 12 . 1 1 56 56 ILE H H 56 8.910 8.910 8.600 0.310 18364 6668 1 12 . 1 1 57 57 ARG N N 57 127.183 127.183 125.707 1.476 18364 6669 1 12 . 1 1 57 57 ARG HA H 57 4.777 4.777 4.455 0.322 18364 6670 1 12 . 1 1 57 57 ARG CA C 57 52.455 52.455 54.963 -2.508 18364 6671 1 12 . 1 1 57 57 ARG CB C 57 28.839 28.839 30.001 -1.162 18364 6672 1 12 . 1 1 57 57 ARG H H 57 8.979 8.979 8.110 0.869 18364 6673 1 12 . 1 1 58 58 THR N N 58 109.995 109.995 108.755 1.240 18364 6674 1 12 . 1 1 58 58 THR HA H 58 4.529 4.529 4.586 -0.057 18364 6675 1 12 . 1 1 58 58 THR CA C 58 57.124 57.124 59.860 -2.736 18364 6676 1 12 . 1 1 58 58 THR CB C 58 68.143 68.143 71.144 -3.001 18364 6677 1 12 . 1 1 58 58 THR H H 58 7.150 7.150 7.285 -0.135 18364 6678 1 12 . 1 1 59 59 ALA N N 59 123.143 123.143 121.898 1.245 18364 6679 1 12 . 1 1 59 59 ALA HA H 59 4.167 4.167 4.267 -0.100 18364 6680 1 12 . 1 1 59 59 ALA CA C 59 52.603 52.603 53.704 -1.101 18364 6681 1 12 . 1 1 59 59 ALA CB C 59 16.910 16.910 19.274 -2.364 18364 6682 1 12 . 1 1 59 59 ALA H H 59 8.531 8.531 8.516 0.015 18364 6683 1 12 . 1 1 60 60 THR N N 60 105.988 105.988 106.773 -0.785 18364 6684 1 12 . 1 1 60 60 THR HA H 60 5.471 5.471 5.354 0.117 18364 6685 1 12 . 1 1 60 60 THR CA C 60 56.904 56.904 60.357 -3.453 18364 6686 1 12 . 1 1 60 60 THR CB C 60 69.111 69.111 71.842 -2.731 18364 6687 1 12 . 1 1 60 60 THR H H 60 7.521 7.521 7.559 -0.038 18364 6688 1 12 . 1 1 61 61 MET N N 61 124.706 124.706 122.319 2.387 18364 6689 1 12 . 1 1 61 61 MET HA H 61 4.641 4.641 4.916 -0.275 18364 6690 1 12 . 1 1 61 61 MET CA C 61 52.883 52.883 54.355 -1.472 18364 6691 1 12 . 1 1 61 61 MET CB C 61 32.345 32.345 37.029 -4.684 18364 6692 1 12 . 1 1 61 61 MET H H 61 8.758 8.758 9.261 -0.503 18364 6693 1 12 . 1 1 62 62 SER N N 62 117.004 117.004 114.170 2.834 18364 6694 1 12 . 1 1 62 62 SER HA H 62 5.551 5.551 5.292 0.259 18364 6695 1 12 . 1 1 62 62 SER CA C 62 54.255 54.255 57.909 -3.654 18364 6696 1 12 . 1 1 62 62 SER CB C 62 64.130 64.130 65.870 -1.740 18364 6697 1 12 . 1 1 62 62 SER H H 62 8.164 8.164 8.435 -0.271 18364 6698 1 12 . 1 1 63 63 CYS N N 63 120.270 120.270 119.439 0.831 18364 6699 1 12 . 1 1 63 63 CYS HA H 63 5.075 5.075 4.981 0.094 18364 6700 1 12 . 1 1 63 63 CYS CA C 63 54.676 54.676 58.433 -3.757 18364 6701 1 12 . 1 1 63 63 CYS CB C 63 28.679 28.679 32.543 -3.864 18364 6702 1 12 . 1 1 63 63 CYS H H 63 8.537 8.537 8.469 0.068 18364 6703 1 12 . 1 1 64 64 CYS N N 64 120.868 120.868 118.124 2.744 18364 6704 1 12 . 1 1 64 64 CYS HA H 64 5.918 5.918 5.498 0.420 18364 6705 1 12 . 1 1 64 64 CYS CA C 64 53.204 53.204 56.358 -3.154 18364 6706 1 12 . 1 1 64 64 CYS CB C 64 30.216 30.216 31.925 -1.709 18364 6707 1 12 . 1 1 64 64 CYS H H 64 9.307 9.307 8.900 0.407 18364 6708 1 12 . 1 1 65 65 THR N N 65 109.830 109.830 111.858 -2.028 18364 6709 1 12 . 1 1 65 65 THR HA H 65 5.426 5.426 4.976 0.450 18364 6710 1 12 . 1 1 65 65 THR CA C 65 58.465 58.465 60.177 -1.712 18364 6711 1 12 . 1 1 65 65 THR CB C 65 69.665 69.665 71.176 -1.511 18364 6712 1 12 . 1 1 65 65 THR H H 65 8.447 8.447 8.426 0.021 18364 6713 1 12 . 1 1 66 66 ASN N N 66 114.459 114.459 117.428 -2.969 18364 6714 1 12 . 1 1 66 66 ASN HA H 66 4.656 4.656 4.750 -0.094 18364 6715 1 12 . 1 1 66 66 ASN CA C 66 49.879 49.879 51.921 -2.042 18364 6716 1 12 . 1 1 66 66 ASN CB C 66 36.267 36.267 41.150 -4.883 18364 6717 1 12 . 1 1 66 66 ASN H H 66 9.300 9.300 8.463 0.837 18364 6718 1 12 . 1 1 67 67 GLY N N 67 103.647 103.647 107.923 -4.276 18364 6719 1 12 . 1 1 67 67 GLY CA C 67 43.796 43.796 46.072 -2.276 18364 6720 1 12 . 1 1 67 67 GLY H H 67 8.237 8.237 8.736 -0.499 18364 6721 1 12 . 1 1 69 69 ALA N N 69 121.911 121.911 122.266 -0.355 18364 6722 1 12 . 1 1 69 69 ALA HA H 69 4.244 4.244 4.261 -0.017 18364 6723 1 12 . 1 1 69 69 ALA CA C 69 49.758 49.758 53.029 -3.271 18364 6724 1 12 . 1 1 69 69 ALA CB C 69 17.376 17.376 19.567 -2.191 18364 6725 1 12 . 1 1 69 69 ALA H H 69 7.677 7.677 7.524 0.153 18364 6726 1 12 . 1 1 70 70 PHE N N 70 114.118 114.118 115.117 -0.999 18364 6727 1 12 . 1 1 70 70 PHE HA H 70 4.965 4.965 4.934 0.031 18364 6728 1 12 . 1 1 70 70 PHE CA C 70 53.129 53.129 58.003 -4.874 18364 6729 1 12 . 1 1 70 70 PHE CB C 70 37.917 37.917 42.819 -4.902 18364 6730 1 12 . 1 1 70 70 PHE H H 70 8.549 8.549 8.690 -0.141 18364 6731 1 12 . 1 1 71 71 PHE N N 71 110.252 110.252 114.305 -4.053 18364 6732 1 12 . 1 1 71 71 PHE HA H 71 4.247 4.247 4.603 -0.356 18364 6733 1 12 . 1 1 71 71 PHE CA C 71 54.475 54.475 56.276 -1.801 18364 6734 1 12 . 1 1 71 71 PHE CB C 71 38.123 38.123 40.803 -2.680 18364 6735 1 12 . 1 1 71 71 PHE H H 71 6.617 6.617 7.129 -0.512 18364 6736 1 12 . 1 1 72 72 MET N N 72 118.637 118.637 118.372 0.265 18364 6737 1 12 . 1 1 72 72 MET HA H 72 4.800 4.800 5.061 -0.261 18364 6738 1 12 . 1 1 72 72 MET CA C 72 53.108 53.108 54.723 -1.615 18364 6739 1 12 . 1 1 72 72 MET CB C 72 35.826 35.826 36.939 -1.113 18364 6740 1 12 . 1 1 72 72 MET H H 72 8.162 8.162 8.398 -0.236 18364 6741 1 12 . 1 1 73 73 THR N N 73 117.278 117.278 115.712 1.566 18364 6742 1 12 . 1 1 73 73 THR HA H 73 5.018 5.018 5.327 -0.309 18364 6743 1 12 . 1 1 73 73 THR CA C 73 58.316 58.316 61.223 -2.907 18364 6744 1 12 . 1 1 73 73 THR CB C 73 69.118 69.118 71.836 -2.718 18364 6745 1 12 . 1 1 73 73 THR H H 73 9.220 9.220 8.640 0.580 18364 6746 1 12 . 1 1 74 74 CYS N N 74 124.101 124.101 124.899 -0.798 18364 6747 1 12 . 1 1 74 74 CYS HA H 74 5.076 5.076 5.185 -0.109 18364 6748 1 12 . 1 1 74 74 CYS CA C 74 54.219 54.219 56.287 -2.068 18364 6749 1 12 . 1 1 74 74 CYS CB C 74 27.012 27.012 27.772 -0.760 18364 6750 1 12 . 1 1 74 74 CYS H H 74 8.958 8.958 8.265 0.693 18364 6751 1 12 . 1 1 75 75 ALA N N 75 132.901 132.901 124.709 8.192 18364 6752 1 12 . 1 1 75 75 ALA HA H 75 4.975 4.975 4.476 0.499 18364 6753 1 12 . 1 1 75 75 ALA CA C 75 47.826 47.826 52.877 -5.051 18364 6754 1 12 . 1 1 75 75 ALA CB C 75 18.111 18.111 19.309 -1.198 18364 6755 1 12 . 1 1 75 75 ALA H H 75 8.834 8.834 7.493 1.341 18364 6756 1 12 . 1 1 76 76 GLY N N 76 110.691 110.691 111.626 -0.935 18364 6757 1 12 . 1 1 76 76 GLY CA C 76 41.784 41.784 43.861 -2.077 18364 6758 1 12 . 1 1 76 76 GLY H H 76 8.265 8.265 7.498 0.767 18364 6759 1 12 . 1 1 77 77 SER N N 77 115.145 115.145 113.494 1.651 18364 6760 1 12 . 1 1 77 77 SER HA H 77 4.980 4.980 4.543 0.437 18364 6761 1 12 . 1 1 77 77 SER CA C 77 54.022 54.022 57.547 -3.525 18364 6762 1 12 . 1 1 77 77 SER CB C 77 62.987 62.987 66.118 -3.131 18364 6763 1 12 . 1 1 77 77 SER H H 77 8.723 8.723 8.509 0.214 18364 6764 1 12 . 1 1 78 78 VAL N N 78 124.775 124.775 118.974 5.801 18364 6765 1 12 . 1 1 78 78 VAL HA H 78 4.634 4.634 4.854 -0.220 18364 6766 1 12 . 1 1 78 78 VAL CA C 78 58.437 58.437 61.008 -2.571 18364 6767 1 12 . 1 1 78 78 VAL CB C 78 32.177 32.177 35.168 -2.991 18364 6768 1 12 . 1 1 78 78 VAL H H 78 8.963 8.963 8.666 0.297 18364 6769 1 12 . 1 1 79 79 SER N N 79 118.951 118.951 119.122 -0.171 18364 6770 1 12 . 1 1 79 79 SER HA H 79 5.619 5.619 5.227 0.392 18364 6771 1 12 . 1 1 79 79 SER CA C 79 53.011 53.011 57.089 -4.078 18364 6772 1 12 . 1 1 79 79 SER CB C 79 64.197 64.197 65.435 -1.238 18364 6773 1 12 . 1 1 79 79 SER H H 79 8.661 8.661 8.441 0.220 18364 6774 1 12 . 1 1 80 80 SER N N 80 114.750 114.750 116.462 -1.712 18364 6775 1 12 . 1 1 80 80 SER HA H 80 4.439 4.439 4.917 -0.478 18364 6776 1 12 . 1 1 80 80 SER CA C 80 56.198 56.198 56.775 -0.577 18364 6777 1 12 . 1 1 80 80 SER CB C 80 63.490 63.490 65.442 -1.952 18364 6778 1 12 . 1 1 80 80 SER H H 80 8.563 8.563 8.772 -0.209 18364 6779 1 12 . 1 1 81 81 ILE N N 81 120.003 120.003 117.768 2.235 18364 6780 1 12 . 1 1 81 81 ILE HA H 81 4.576 4.576 4.628 -0.052 18364 6781 1 12 . 1 1 81 81 ILE CA C 81 57.951 57.951 60.521 -2.570 18364 6782 1 12 . 1 1 81 81 ILE CB C 81 36.011 36.011 37.891 -1.880 18364 6783 1 12 . 1 1 81 81 ILE H H 81 8.366 8.366 8.443 -0.077 18364 6784 1 12 . 1 1 82 82 SER N N 82 119.139 119.139 117.779 1.360 18364 6785 1 12 . 1 1 82 82 SER HA H 82 4.158 4.158 4.620 -0.462 18364 6786 1 12 . 1 1 82 82 SER CA C 82 56.910 56.910 56.956 -0.046 18364 6787 1 12 . 1 1 82 82 SER CB C 82 62.055 62.055 64.937 -2.882 18364 6788 1 12 . 1 1 82 82 SER H H 82 8.204 8.204 7.692 0.512 18364 6789 1 12 . 1 1 83 83 GLU N N 83 118.350 118.350 121.163 -2.813 18364 6790 1 12 . 1 1 83 83 GLU HA H 83 4.133 4.133 4.214 -0.081 18364 6791 1 12 . 1 1 83 83 GLU CA C 83 53.267 53.267 56.620 -3.353 18364 6792 1 12 . 1 1 83 83 GLU CB C 83 27.763 27.763 30.211 -2.448 18364 6793 1 12 . 1 1 83 83 GLU H H 83 8.381 8.381 8.595 -0.214 18364 6794 1 12 . 1 1 84 84 ALA N N 84 121.665 121.665 121.673 -0.008 18364 6795 1 12 . 1 1 84 84 ALA HA H 84 3.542 3.542 4.082 -0.540 18364 6796 1 12 . 1 1 84 84 ALA CA C 84 50.621 50.621 53.427 -2.806 18364 6797 1 12 . 1 1 84 84 ALA CB C 84 16.540 16.540 19.111 -2.571 18364 6798 1 12 . 1 1 84 84 ALA H H 84 8.482 8.482 8.222 0.260 18364 6799 1 12 . 1 1 85 85 GLY N N 85 108.356 108.356 106.055 2.301 18364 6800 1 12 . 1 1 85 85 GLY CA C 85 42.955 42.955 45.559 -2.604 18364 6801 1 12 . 1 1 85 85 GLY H H 85 8.078 8.078 8.486 -0.408 18364 6802 1 12 . 1 1 86 86 LYS N N 86 121.491 121.491 121.541 -0.050 18364 6803 1 12 . 1 1 86 86 LYS HA H 86 4.638 4.638 4.150 0.488 18364 6804 1 12 . 1 1 86 86 LYS CA C 86 51.073 51.073 56.593 -5.519 18364 6805 1 12 . 1 1 86 86 LYS CB C 86 29.750 29.750 32.848 -3.098 18364 6806 1 12 . 1 1 86 86 LYS H H 86 8.225 8.225 7.849 0.376 18364 6807 1 12 . 1 1 87 87 ARG N N 87 121.874 121.874 116.823 5.051 18364 6808 1 12 . 1 1 87 87 ARG HA H 87 5.673 5.673 4.928 0.745 18364 6809 1 12 . 1 1 87 87 ARG CA C 87 52.139 52.139 54.803 -2.664 18364 6810 1 12 . 1 1 87 87 ARG CB C 87 32.163 32.163 34.386 -2.223 18364 6811 1 12 . 1 1 87 87 ARG H H 87 9.979 9.979 8.235 1.744 18364 6812 1 12 . 1 1 88 88 LEU N N 88 125.264 125.264 119.429 5.835 18364 6813 1 12 . 1 1 88 88 LEU HA H 88 4.562 4.562 5.433 -0.871 18364 6814 1 12 . 1 1 88 88 LEU CA C 88 50.284 50.284 54.411 -4.127 18364 6815 1 12 . 1 1 88 88 LEU CB C 88 42.309 42.309 46.730 -4.421 18364 6816 1 12 . 1 1 88 88 LEU H H 88 8.756 8.756 8.787 -0.031 18364 6817 1 12 . 1 1 89 89 HIS N N 89 125.453 125.453 124.254 1.199 18364 6818 1 12 . 1 1 89 89 HIS HA H 89 5.188 5.188 5.374 -0.186 18364 6819 1 12 . 1 1 89 89 HIS CA C 89 51.389 51.389 54.974 -3.585 18364 6820 1 12 . 1 1 89 89 HIS CB C 89 27.731 27.731 33.289 -5.558 18364 6821 1 12 . 1 1 89 89 HIS H H 89 8.910 8.910 9.154 -0.244 18364 6822 1 12 . 1 1 90 90 ILE N N 90 126.486 126.486 126.971 -0.485 18364 6823 1 12 . 1 1 90 90 ILE HA H 90 5.020 5.020 4.888 0.132 18364 6824 1 12 . 1 1 90 90 ILE CA C 90 55.642 55.642 59.373 -3.731 18364 6825 1 12 . 1 1 90 90 ILE CB C 90 38.696 38.696 40.077 -1.381 18364 6826 1 12 . 1 1 90 90 ILE H H 90 8.689 8.689 8.879 -0.190 18364 6827 1 12 . 1 1 91 91 THR N N 91 123.200 123.200 121.208 1.992 18364 6828 1 12 . 1 1 91 91 THR HA H 91 5.017 5.017 4.992 0.025 18364 6829 1 12 . 1 1 91 91 THR CA C 91 58.555 58.555 61.671 -3.116 18364 6830 1 12 . 1 1 91 91 THR CB C 91 68.702 68.702 70.960 -2.258 18364 6831 1 12 . 1 1 91 91 THR H H 91 8.636 8.636 8.673 -0.037 18364 6832 1 12 . 1 1 92 92 VAL N N 92 127.071 127.071 122.286 4.785 18364 6833 1 12 . 1 1 92 92 VAL HA H 92 5.018 5.018 5.106 -0.088 18364 6834 1 12 . 1 1 92 92 VAL CA C 92 57.969 57.969 60.168 -2.199 18364 6835 1 12 . 1 1 92 92 VAL CB C 92 31.323 31.323 34.066 -2.743 18364 6836 1 12 . 1 1 92 92 VAL H H 92 9.162 9.162 9.238 -0.076 18364 6837 1 12 . 1 1 93 93 ILE N N 93 127.095 127.095 124.408 2.687 18364 6838 1 12 . 1 1 93 93 ILE HA H 93 4.461 4.461 4.932 -0.471 18364 6839 1 12 . 1 1 93 93 ILE CA C 93 57.972 57.972 59.619 -1.647 18364 6840 1 12 . 1 1 93 93 ILE CB C 93 38.929 38.929 42.176 -3.247 18364 6841 1 12 . 1 1 93 93 ILE H H 93 9.313 9.313 8.908 0.405 18364 6842 1 12 . 1 1 94 94 GLY N N 94 111.893 111.893 111.850 0.043 18364 6843 1 12 . 1 1 94 94 GLY CA C 94 41.781 41.781 44.121 -2.340 18364 6844 1 12 . 1 1 94 94 GLY H H 94 8.577 8.577 8.822 -0.245 18364 6845 1 12 . 1 1 95 95 TYR N N 95 123.099 123.099 123.037 0.062 18364 6846 1 12 . 1 1 95 95 TYR HA H 95 5.399 5.399 5.586 -0.187 18364 6847 1 12 . 1 1 95 95 TYR CA C 95 54.052 54.052 56.446 -2.394 18364 6848 1 12 . 1 1 95 95 TYR CB C 95 41.285 41.285 43.227 -1.942 18364 6849 1 12 . 1 1 95 95 TYR H H 95 9.640 9.640 9.204 0.436 18364 6850 1 12 . 1 1 96 96 ILE N N 96 116.705 116.705 118.590 -1.885 18364 6851 1 12 . 1 1 96 96 ILE HA H 96 4.208 4.208 4.490 -0.282 18364 6852 1 12 . 1 1 96 96 ILE CA C 96 58.977 58.977 60.538 -1.561 18364 6853 1 12 . 1 1 96 96 ILE CB C 96 37.245 37.245 42.180 -4.935 18364 6854 1 12 . 1 1 96 96 ILE H H 96 8.270 8.270 9.100 -0.830 18364 6855 1 12 . 1 1 97 97 ASP N N 97 130.442 130.442 129.254 1.188 18364 6856 1 12 . 1 1 97 97 ASP HA H 97 4.165 4.165 4.148 0.017 18364 6857 1 12 . 1 1 97 97 ASP CA C 97 53.736 53.736 55.727 -1.991 18364 6858 1 12 . 1 1 97 97 ASP CB C 97 36.870 36.870 39.894 -3.024 18364 6859 1 12 . 1 1 97 97 ASP H H 97 9.849 9.849 8.920 0.929 18364 6860 1 12 . 1 1 98 98 ASP N N 98 114.957 114.957 114.805 0.152 18364 6861 1 12 . 1 1 98 98 ASP HA H 98 4.694 4.694 4.213 0.481 18364 6862 1 12 . 1 1 98 98 ASP CB C 98 36.266 36.266 40.724 -4.458 18364 6863 1 12 . 1 1 98 98 ASP H H 98 8.355 8.355 8.634 -0.279 18364 6864 1 12 . 1 1 99 99 LYS N N 99 121.680 121.680 118.370 3.310 18364 6865 1 12 . 1 1 99 99 LYS HA H 99 4.590 4.590 4.692 -0.102 18364 6866 1 12 . 1 1 99 99 LYS CA C 99 52.354 52.354 55.036 -2.682 18364 6867 1 12 . 1 1 99 99 LYS CB C 99 30.958 30.958 36.443 -5.485 18364 6868 1 12 . 1 1 99 99 LYS H H 99 8.049 8.049 7.718 0.331 18364 6869 1 12 . 1 1 100 100 GLU N N 100 127.574 127.574 122.775 4.799 18364 6870 1 12 . 1 1 100 100 GLU HA H 100 3.804 3.804 3.814 -0.010 18364 6871 1 12 . 1 1 100 100 GLU CA C 100 54.562 54.562 57.292 -2.730 18364 6872 1 12 . 1 1 100 100 GLU CB C 100 26.808 26.808 29.897 -3.089 18364 6873 1 12 . 1 1 100 100 GLU H H 100 8.839 8.839 8.710 0.129 18364 6874 1 12 . 1 1 101 101 VAL N N 101 120.606 120.606 120.000 0.606 18364 6875 1 12 . 1 1 101 101 VAL HA H 101 4.534 4.534 4.477 0.057 18364 6876 1 12 . 1 1 101 101 VAL CA C 101 58.379 58.379 61.596 -3.217 18364 6877 1 12 . 1 1 101 101 VAL CB C 101 31.223 31.223 33.448 -2.225 18364 6878 1 12 . 1 1 101 101 VAL H H 101 8.997 8.997 8.406 0.591 18364 6879 1 12 . 1 1 102 102 ASN N N 102 118.568 118.568 120.304 -1.736 18364 6880 1 12 . 1 1 102 102 ASN HA H 102 4.782 4.782 4.835 -0.053 18364 6881 1 12 . 1 1 102 102 ASN CA C 102 50.154 50.154 53.169 -3.015 18364 6882 1 12 . 1 1 102 102 ASN CB C 102 38.848 38.848 41.416 -2.568 18364 6883 1 12 . 1 1 102 102 ASN H H 102 7.598 7.598 7.463 0.135 18364 6884 1 12 . 1 1 103 103 ARG N N 103 120.366 120.366 123.458 -3.092 18364 6885 1 12 . 1 1 103 103 ARG HA H 103 5.051 5.051 5.254 -0.203 18364 6886 1 12 . 1 1 103 103 ARG CA C 103 52.900 52.900 55.858 -2.958 18364 6887 1 12 . 1 1 103 103 ARG CB C 103 31.710 31.710 32.141 -0.430 18364 6888 1 12 . 1 1 103 103 ARG H H 103 8.155 8.155 8.256 -0.101 18364 6889 1 12 . 1 1 104 104 LEU N N 104 128.859 128.859 123.236 5.623 18364 6890 1 12 . 1 1 104 104 LEU HA H 104 4.553 4.553 5.065 -0.512 18364 6891 1 12 . 1 1 104 104 LEU CA C 104 51.272 51.272 53.531 -2.259 18364 6892 1 12 . 1 1 104 104 LEU CB C 104 43.549 43.549 46.181 -2.632 18364 6893 1 12 . 1 1 104 104 LEU H H 104 9.271 9.271 8.907 0.364 18364 6894 1 12 . 1 1 105 105 GLU N N 105 125.663 125.663 118.733 6.930 18364 6895 1 12 . 1 1 105 105 GLU HA H 105 5.179 5.179 5.023 0.156 18364 6896 1 12 . 1 1 105 105 GLU CA C 105 51.966 51.966 54.949 -2.983 18364 6897 1 12 . 1 1 105 105 GLU CB C 105 29.358 29.358 32.695 -3.337 18364 6898 1 12 . 1 1 105 105 GLU H H 105 8.346 8.346 8.453 -0.107 18364 6899 1 12 . 1 1 106 106 LYS N N 106 123.659 123.659 119.188 4.471 18364 6900 1 12 . 1 1 106 106 LYS HA H 106 4.281 4.281 4.343 -0.062 18364 6901 1 12 . 1 1 106 106 LYS CA C 106 51.118 51.118 55.128 -4.010 18364 6902 1 12 . 1 1 106 106 LYS CB C 106 34.761 34.761 36.497 -1.736 18364 6903 1 12 . 1 1 106 106 LYS H H 106 8.526 8.526 8.181 0.345 18364 6904 1 12 . 1 1 107 107 GLU N N 107 121.917 121.917 122.107 -0.190 18364 6905 1 12 . 1 1 107 107 GLU HA H 107 4.949 4.949 4.965 -0.016 18364 6906 1 12 . 1 1 107 107 GLU CA C 107 51.404 51.404 54.106 -2.702 18364 6907 1 12 . 1 1 107 107 GLU CB C 107 29.906 29.906 31.802 -1.896 18364 6908 1 12 . 1 1 107 107 GLU H H 107 7.773 7.773 8.146 -0.373 18364 6909 1 12 . 1 1 108 108 TYR N N 108 124.981 124.981 124.155 0.826 18364 6910 1 12 . 1 1 108 108 TYR HA H 108 4.720 4.720 4.742 -0.022 18364 6911 1 12 . 1 1 108 108 TYR CA C 108 54.188 54.188 56.548 -2.360 18364 6912 1 12 . 1 1 108 108 TYR CB C 108 39.101 39.101 42.477 -3.376 18364 6913 1 12 . 1 1 108 108 TYR H H 108 9.031 9.031 8.585 0.446 18364 6914 1 12 . 1 1 109 109 ILE N N 109 121.680 121.680 120.274 1.406 18364 6915 1 12 . 1 1 109 109 ILE HA H 109 5.471 5.471 4.574 0.897 18364 6916 1 12 . 1 1 109 109 ILE CA C 109 56.592 56.592 60.337 -3.745 18364 6917 1 12 . 1 1 109 109 ILE CB C 109 38.728 38.728 41.809 -3.081 18364 6918 1 12 . 1 1 109 109 ILE H H 109 8.475 8.475 8.425 0.050 18364 6919 1 12 . 1 1 110 110 THR N N 110 117.537 117.537 116.720 0.817 18364 6920 1 12 . 1 1 110 110 THR HA H 110 4.521 4.521 4.361 0.160 18364 6921 1 12 . 1 1 110 110 THR CA C 110 59.337 59.337 62.319 -2.982 18364 6922 1 12 . 1 1 110 110 THR CB C 110 67.143 67.143 69.899 -2.756 18364 6923 1 12 . 1 1 110 110 THR H H 110 9.180 9.180 8.132 1.048 18364 6924 1 12 . 1 1 111 111 ASP N N 111 122.428 122.428 124.081 -1.653 18364 6925 1 12 . 1 1 111 111 ASP HA H 111 4.721 4.721 4.618 0.103 18364 6926 1 12 . 1 1 111 111 ASP CA C 111 50.135 50.135 53.747 -3.612 18364 6927 1 12 . 1 1 111 111 ASP CB C 111 39.613 39.613 40.520 -0.907 18364 6928 1 12 . 1 1 111 111 ASP H H 111 9.342 9.342 8.864 0.478 18364 6929 1 12 . 1 1 112 112 GLY N N 112 110.714 110.714 107.379 3.335 18364 6930 1 12 . 1 1 112 112 GLY CA C 112 43.084 43.084 44.789 -1.705 18364 6931 1 12 . 1 1 112 112 GLY H H 112 8.333 8.333 8.228 0.105 18364 6932 1 12 . 1 1 113 113 ASN N N 113 119.462 119.462 119.883 -0.421 18364 6933 1 12 . 1 1 113 113 ASN HA H 113 4.926 4.926 4.888 0.038 18364 6934 1 12 . 1 1 113 113 ASN CA C 113 49.373 49.373 53.284 -3.911 18364 6935 1 12 . 1 1 113 113 ASN CB C 113 37.377 37.377 39.659 -2.282 18364 6936 1 12 . 1 1 113 113 ASN H H 113 8.210 8.210 8.741 -0.531 18364 6937 1 12 . 1 1 114 114 THR N N 114 117.962 117.962 113.441 4.521 18364 6938 1 12 . 1 1 114 114 THR HA H 114 4.136 4.136 4.230 -0.094 18364 6939 1 12 . 1 1 114 114 THR CA C 114 62.066 62.066 62.590 -0.524 18364 6940 1 12 . 1 1 114 114 THR CB C 114 66.489 66.489 68.811 -2.322 18364 6941 1 12 . 1 1 114 114 THR H H 114 8.436 8.436 8.453 -0.017 18364 6942 1 12 . 1 1 115 115 LEU N N 115 132.998 132.998 128.141 4.857 18364 6943 1 12 . 1 1 115 115 LEU HA H 115 4.607 4.607 4.336 0.271 18364 6944 1 12 . 1 1 115 115 LEU CA C 115 52.335 52.335 55.668 -3.333 18364 6945 1 12 . 1 1 115 115 LEU CB C 115 41.546 41.546 42.824 -1.278 18364 6946 1 12 . 1 1 115 115 LEU H H 115 8.789 8.789 8.604 0.185 18364 6947 1 12 . 1 1 116 116 ILE N N 116 126.586 126.586 123.450 3.136 18364 6948 1 12 . 1 1 116 116 ILE HA H 116 4.784 4.784 4.948 -0.164 18364 6949 1 12 . 1 1 116 116 ILE CA C 116 58.270 58.270 60.160 -1.890 18364 6950 1 12 . 1 1 116 116 ILE CB C 116 37.909 37.909 41.660 -3.751 18364 6951 1 12 . 1 1 116 116 ILE H H 116 8.637 8.637 8.292 0.345 18364 6952 1 12 . 1 1 117 117 GLU N N 117 127.084 127.084 124.232 2.852 18364 6953 1 12 . 1 1 117 117 GLU HA H 117 4.830 4.830 4.714 0.116 18364 6954 1 12 . 1 1 117 117 GLU CA C 117 51.847 51.847 55.289 -3.442 18364 6955 1 12 . 1 1 117 117 GLU CB C 117 32.299 32.299 34.273 -1.974 18364 6956 1 12 . 1 1 117 117 GLU H H 117 8.933 8.933 8.530 0.403 18364 6957 1 12 . 1 1 118 118 THR N N 118 110.826 110.826 111.543 -0.717 18364 6958 1 12 . 1 1 118 118 THR HA H 118 5.190 5.190 4.464 0.726 18364 6959 1 12 . 1 1 118 118 THR CA C 118 57.036 57.036 60.452 -3.416 18364 6960 1 12 . 1 1 118 118 THR CB C 118 69.888 69.888 70.811 -0.923 18364 6961 1 12 . 1 1 118 118 THR H H 118 8.664 8.664 8.438 0.226 18364 6962 1 12 . 1 1 119 119 PHE N N 119 115.915 115.915 115.441 0.474 18364 6963 1 12 . 1 1 119 119 PHE HA H 119 4.999 4.999 5.100 -0.101 18364 6964 1 12 . 1 1 119 119 PHE CA C 119 53.804 53.804 56.419 -2.615 18364 6965 1 12 . 1 1 119 119 PHE CB C 119 39.787 39.787 42.233 -2.446 18364 6966 1 12 . 1 1 119 119 PHE H H 119 8.087 8.087 7.623 0.464 18364 6967 1 12 . 1 1 120 120 SER N N 120 114.953 114.953 115.339 -0.386 18364 6968 1 12 . 1 1 120 120 SER HA H 120 5.383 5.383 4.802 0.581 18364 6969 1 12 . 1 1 120 120 SER CA C 120 55.192 55.192 58.102 -2.910 18364 6970 1 12 . 1 1 120 120 SER CB C 120 62.113 62.113 65.104 -2.991 18364 6971 1 12 . 1 1 120 120 SER H H 120 8.627 8.627 8.486 0.141 18364 6972 1 12 . 1 1 121 121 VAL N N 121 124.122 124.122 125.222 -1.100 18364 6973 1 12 . 1 1 121 121 VAL HA H 121 4.349 4.349 4.331 0.018 18364 6974 1 12 . 1 1 121 121 VAL CA C 121 59.005 59.005 61.854 -2.849 18364 6975 1 12 . 1 1 121 121 VAL CB C 121 34.127 34.127 33.208 0.919 18364 6976 1 12 . 1 1 121 121 VAL H H 121 8.866 8.866 8.493 0.373 18364 6977 1 12 . 1 1 122 122 SER N N 122 119.703 119.703 121.786 -2.083 18364 6978 1 12 . 1 1 122 122 SER HA H 122 5.598 5.598 5.177 0.421 18364 6979 1 12 . 1 1 122 122 SER CA C 122 53.065 53.065 57.944 -4.879 18364 6980 1 12 . 1 1 122 122 SER CB C 122 63.442 63.442 64.514 -1.072 18364 6981 1 12 . 1 1 122 122 SER H H 122 8.334 8.334 8.689 -0.355 18364 6982 1 12 . 1 1 123 123 THR N N 123 113.276 113.276 111.693 1.583 18364 6983 1 12 . 1 1 123 123 THR HA H 123 4.093 4.093 4.508 -0.415 18364 6984 1 12 . 1 1 123 123 THR CA C 123 60.143 60.143 61.374 -1.231 18364 6985 1 12 . 1 1 123 123 THR CB C 123 64.437 64.437 69.352 -4.915 18364 6986 1 12 . 1 1 123 123 THR H H 123 8.898 8.898 9.137 -0.239 18364 6987 1 12 . 1 1 124 124 LYS N N 124 119.191 119.191 120.798 -1.607 18364 6988 1 12 . 1 1 124 124 LYS HA H 124 4.324 4.324 4.449 -0.124 18364 6989 1 12 . 1 1 124 124 LYS CA C 124 53.486 53.486 56.278 -2.792 18364 6990 1 12 . 1 1 124 124 LYS CB C 124 32.376 32.376 35.356 -2.980 18364 6991 1 12 . 1 1 124 124 LYS H H 124 7.569 7.569 7.786 -0.217 18364 6992 1 12 . 1 1 125 125 GLU N N 125 124.243 124.243 127.185 -2.942 18364 6993 1 12 . 1 1 125 125 GLU HA H 125 4.255 4.255 4.381 -0.126 18364 6994 1 12 . 1 1 125 125 GLU CA C 125 53.830 53.830 56.518 -2.688 18364 6995 1 12 . 1 1 125 125 GLU CB C 125 27.674 27.674 28.580 -0.906 18364 6996 1 12 . 1 1 125 125 GLU H H 125 8.359 8.359 8.611 -0.252 18364 6997 1 13 . 1 1 2 2 ALA CA C 2 50.698 50.698 53.024 -2.326 18364 6998 1 13 . 1 1 2 2 ALA CB C 2 16.688 16.688 20.583 -3.895 18364 6999 1 13 . 1 1 3 3 SER N N 3 113.663 113.663 112.481 1.182 18364 7000 1 13 . 1 1 3 3 SER HA H 3 4.296 4.296 4.545 -0.249 18364 7001 1 13 . 1 1 3 3 SER CA C 3 55.573 55.573 58.158 -2.585 18364 7002 1 13 . 1 1 3 3 SER CB C 3 60.888 60.888 64.633 -3.745 18364 7003 1 13 . 1 1 3 3 SER H H 3 8.301 8.301 8.204 0.097 18364 7004 1 13 . 1 1 4 4 ASP N N 4 121.532 121.532 122.748 -1.216 18364 7005 1 13 . 1 1 4 4 ASP HA H 4 4.394 4.394 4.930 -0.536 18364 7006 1 13 . 1 1 4 4 ASP CA C 4 51.748 51.748 53.693 -1.945 18364 7007 1 13 . 1 1 4 4 ASP CB C 4 38.614 38.614 40.809 -2.195 18364 7008 1 13 . 1 1 4 4 ASP H H 4 7.874 7.874 8.532 -0.658 18364 7009 1 13 . 1 1 5 5 PHE N N 5 119.126 119.126 120.177 -1.051 18364 7010 1 13 . 1 1 5 5 PHE HA H 5 4.535 4.535 4.984 -0.449 18364 7011 1 13 . 1 1 5 5 PHE CA C 5 54.589 54.589 57.294 -2.705 18364 7012 1 13 . 1 1 5 5 PHE CB C 5 37.079 37.079 40.617 -3.538 18364 7013 1 13 . 1 1 5 5 PHE H H 5 7.832 7.832 7.695 0.137 18364 7014 1 13 . 1 1 6 6 GLN N N 6 122.092 122.092 124.649 -2.557 18364 7015 1 13 . 1 1 6 6 GLN HA H 6 4.417 4.417 4.791 -0.374 18364 7016 1 13 . 1 1 6 6 GLN CA C 6 53.128 53.128 55.408 -2.280 18364 7017 1 13 . 1 1 6 6 GLN CB C 6 27.477 27.477 31.459 -3.982 18364 7018 1 13 . 1 1 6 6 GLN H H 6 8.447 8.447 8.722 -0.275 18364 7019 1 13 . 1 1 7 7 THR N N 7 114.717 114.717 114.206 0.511 18364 7020 1 13 . 1 1 7 7 THR HA H 7 5.035 5.035 4.686 0.349 18364 7021 1 13 . 1 1 7 7 THR CA C 7 57.906 57.906 61.348 -3.442 18364 7022 1 13 . 1 1 7 7 THR CB C 7 68.370 68.370 70.009 -1.639 18364 7023 1 13 . 1 1 7 7 THR H H 7 8.145 8.145 8.138 0.007 18364 7024 1 13 . 1 1 8 8 GLY N N 8 111.628 111.628 109.624 2.004 18364 7025 1 13 . 1 1 8 8 GLY CA C 8 43.774 43.774 45.590 -1.816 18364 7026 1 13 . 1 1 8 8 GLY H H 8 9.234 9.234 8.504 0.730 18364 7027 1 13 . 1 1 9 9 ILE N N 9 119.585 119.585 119.884 -0.299 18364 7028 1 13 . 1 1 9 9 ILE HA H 9 3.934 3.934 4.566 -0.632 18364 7029 1 13 . 1 1 9 9 ILE CA C 9 58.907 58.907 60.330 -1.423 18364 7030 1 13 . 1 1 9 9 ILE CB C 9 35.738 35.738 42.346 -6.608 18364 7031 1 13 . 1 1 9 9 ILE H H 9 8.603 8.603 7.889 0.714 18364 7032 1 13 . 1 1 10 10 HIS N N 10 133.616 133.616 122.002 11.614 18364 7033 1 13 . 1 1 10 10 HIS HA H 10 5.185 5.185 5.445 -0.260 18364 7034 1 13 . 1 1 10 10 HIS CA C 10 53.587 53.587 54.638 -1.051 18364 7035 1 13 . 1 1 10 10 HIS CB C 10 30.817 30.817 33.045 -2.228 18364 7036 1 13 . 1 1 10 10 HIS H H 10 8.599 8.599 8.873 -0.274 18364 7037 1 13 . 1 1 11 11 LYS N N 11 122.949 122.949 120.998 1.951 18364 7038 1 13 . 1 1 11 11 LYS HA H 11 5.236 5.236 5.218 0.018 18364 7039 1 13 . 1 1 11 11 LYS CA C 11 52.748 52.748 55.287 -2.539 18364 7040 1 13 . 1 1 11 11 LYS CB C 11 35.137 35.137 36.759 -1.622 18364 7041 1 13 . 1 1 11 11 LYS H H 11 8.775 8.775 9.045 -0.270 18364 7042 1 13 . 1 1 12 12 ILE N N 12 125.260 125.260 120.509 4.751 18364 7043 1 13 . 1 1 12 12 ILE HA H 12 5.273 5.273 5.037 0.236 18364 7044 1 13 . 1 1 12 12 ILE CA C 12 55.780 55.780 59.447 -3.667 18364 7045 1 13 . 1 1 12 12 ILE CB C 12 38.767 38.767 42.526 -3.759 18364 7046 1 13 . 1 1 12 12 ILE H H 12 8.578 8.578 9.079 -0.501 18364 7047 1 13 . 1 1 13 13 VAL N N 13 126.515 126.515 119.647 6.868 18364 7048 1 13 . 1 1 13 13 VAL HA H 13 4.795 4.795 5.095 -0.300 18364 7049 1 13 . 1 1 13 13 VAL CA C 13 58.115 58.115 60.518 -2.403 18364 7050 1 13 . 1 1 13 13 VAL CB C 13 32.948 32.948 34.446 -1.498 18364 7051 1 13 . 1 1 13 13 VAL H H 13 9.052 9.052 8.335 0.717 18364 7052 1 13 . 1 1 14 14 ILE N N 14 125.803 125.803 125.204 0.599 18364 7053 1 13 . 1 1 14 14 ILE HA H 14 5.008 5.008 5.012 -0.004 18364 7054 1 13 . 1 1 14 14 ILE CA C 14 57.539 57.539 59.863 -2.324 18364 7055 1 13 . 1 1 14 14 ILE CB C 14 38.656 38.656 42.356 -3.700 18364 7056 1 13 . 1 1 14 14 ILE H H 14 8.974 8.974 8.985 -0.011 18364 7057 1 13 . 1 1 15 15 GLN N N 15 125.773 125.773 120.559 5.214 18364 7058 1 13 . 1 1 15 15 GLN HA H 15 5.433 5.433 5.175 0.258 18364 7059 1 13 . 1 1 15 15 GLN CA C 15 51.002 51.002 54.486 -3.484 18364 7060 1 13 . 1 1 15 15 GLN CB C 15 29.637 29.637 33.673 -4.036 18364 7061 1 13 . 1 1 15 15 GLN H H 15 9.244 9.244 8.542 0.702 18364 7062 1 13 . 1 1 16 16 GLN N N 16 119.832 119.832 117.900 1.932 18364 7063 1 13 . 1 1 16 16 GLN HA H 16 5.741 5.741 5.160 0.581 18364 7064 1 13 . 1 1 16 16 GLN CA C 16 50.572 50.572 54.911 -4.340 18364 7065 1 13 . 1 1 16 16 GLN CB C 16 30.039 30.039 32.610 -2.571 18364 7066 1 13 . 1 1 16 16 GLN H H 16 8.964 8.964 8.721 0.243 18364 7067 1 13 . 1 1 17 17 SER N N 17 115.201 115.201 116.307 -1.106 18364 7068 1 13 . 1 1 17 17 SER HA H 17 4.526 4.526 4.693 -0.167 18364 7069 1 13 . 1 1 17 17 SER CA C 17 54.831 54.831 58.161 -3.330 18364 7070 1 13 . 1 1 17 17 SER CB C 17 62.930 62.930 65.744 -2.814 18364 7071 1 13 . 1 1 17 17 SER H H 17 8.770 8.770 8.222 0.548 18364 7072 1 13 . 1 1 18 18 GLY N N 18 109.321 109.321 110.770 -1.449 18364 7073 1 13 . 1 1 18 18 GLY CA C 18 41.737 41.737 45.099 -3.362 18364 7074 1 13 . 1 1 18 18 GLY H H 18 8.798 8.798 8.068 0.730 18364 7075 1 13 . 1 1 19 19 ASP N N 19 128.121 128.121 124.316 3.805 18364 7076 1 13 . 1 1 19 19 ASP HA H 19 5.071 5.071 4.678 0.393 18364 7077 1 13 . 1 1 19 19 ASP CA C 19 51.251 51.251 53.267 -2.016 18364 7078 1 13 . 1 1 19 19 ASP CB C 19 37.872 37.872 38.847 -0.975 18364 7079 1 13 . 1 1 19 19 ASP H H 19 9.708 9.708 8.692 1.016 18364 7080 1 13 . 1 1 20 20 THR N N 20 111.610 111.610 110.243 1.367 18364 7081 1 13 . 1 1 20 20 THR HA H 20 3.615 3.615 3.497 0.118 18364 7082 1 13 . 1 1 20 20 THR CA C 20 63.331 63.331 63.545 -0.214 18364 7083 1 13 . 1 1 20 20 THR CB C 20 64.873 64.873 68.410 -3.537 18364 7084 1 13 . 1 1 20 20 THR H H 20 8.136 8.136 7.914 0.222 18364 7085 1 13 . 1 1 21 21 ASP N N 21 118.304 118.304 118.885 -0.581 18364 7086 1 13 . 1 1 21 21 ASP HA H 21 4.639 4.639 4.906 -0.267 18364 7087 1 13 . 1 1 21 21 ASP CA C 21 52.945 52.945 55.096 -2.151 18364 7088 1 13 . 1 1 21 21 ASP CB C 21 37.785 37.785 42.017 -4.232 18364 7089 1 13 . 1 1 21 21 ASP H H 21 8.566 8.566 7.687 0.879 18364 7090 1 13 . 1 1 22 22 SER N N 22 114.253 114.253 115.532 -1.279 18364 7091 1 13 . 1 1 22 22 SER HA H 22 4.384 4.384 4.764 -0.380 18364 7092 1 13 . 1 1 22 22 SER CA C 22 57.170 57.170 58.208 -1.038 18364 7093 1 13 . 1 1 22 22 SER CB C 22 61.441 61.441 64.198 -2.757 18364 7094 1 13 . 1 1 22 22 SER H H 22 8.076 8.076 8.075 0.001 18364 7095 1 13 . 1 1 23 23 PHE N N 23 119.853 119.853 119.242 0.611 18364 7096 1 13 . 1 1 23 23 PHE HA H 23 5.010 5.010 5.610 -0.600 18364 7097 1 13 . 1 1 23 23 PHE CA C 23 53.272 53.272 54.707 -1.435 18364 7098 1 13 . 1 1 23 23 PHE CB C 23 42.021 42.021 42.280 -0.259 18364 7099 1 13 . 1 1 23 23 PHE H H 23 7.611 7.611 7.897 -0.286 18364 7100 1 13 . 1 1 24 24 GLU N N 24 119.255 119.255 120.612 -1.357 18364 7101 1 13 . 1 1 24 24 GLU HA H 24 4.571 4.571 4.366 0.205 18364 7102 1 13 . 1 1 24 24 GLU CA C 24 52.642 52.642 54.866 -2.224 18364 7103 1 13 . 1 1 24 24 GLU CB C 24 28.881 28.881 31.824 -2.943 18364 7104 1 13 . 1 1 24 24 GLU H H 24 8.958 8.958 8.559 0.399 18364 7105 1 13 . 1 1 25 25 VAL N N 25 130.637 130.637 125.871 4.766 18364 7106 1 13 . 1 1 25 25 VAL HA H 25 4.859 4.859 4.722 0.137 18364 7107 1 13 . 1 1 25 25 VAL CA C 25 58.548 58.548 61.833 -3.285 18364 7108 1 13 . 1 1 25 25 VAL CB C 25 30.439 30.439 34.220 -3.781 18364 7109 1 13 . 1 1 25 25 VAL H H 25 9.678 9.678 8.505 1.173 18364 7110 1 13 . 1 1 26 26 SER N N 26 122.555 122.555 124.407 -1.852 18364 7111 1 13 . 1 1 26 26 SER HA H 26 5.289 5.289 5.056 0.233 18364 7112 1 13 . 1 1 26 26 SER CA C 26 54.088 54.088 57.197 -3.109 18364 7113 1 13 . 1 1 26 26 SER CB C 26 62.476 62.476 63.685 -1.209 18364 7114 1 13 . 1 1 26 26 SER H H 26 8.883 8.883 8.481 0.402 18364 7115 1 13 . 1 1 27 27 VAL N N 27 113.682 113.682 125.875 -12.193 18364 7116 1 13 . 1 1 27 27 VAL HA H 27 5.269 5.269 4.406 0.863 18364 7117 1 13 . 1 1 27 27 VAL CA C 27 56.005 56.005 60.666 -4.661 18364 7118 1 13 . 1 1 27 27 VAL CB C 27 34.158 34.158 33.686 0.472 18364 7119 1 13 . 1 1 27 27 VAL H H 27 8.493 8.493 8.011 0.482 18364 7120 1 13 . 1 1 28 28 SER N N 28 116.852 116.852 121.427 -4.575 18364 7121 1 13 . 1 1 28 28 SER HA H 28 5.410 5.410 5.019 0.391 18364 7122 1 13 . 1 1 28 28 SER CA C 28 54.633 54.633 58.636 -4.003 18364 7123 1 13 . 1 1 28 28 SER CB C 28 62.095 62.095 64.372 -2.277 18364 7124 1 13 . 1 1 28 28 SER H H 28 8.709 8.709 8.871 -0.162 18364 7125 1 13 . 1 1 29 29 ILE N N 29 128.765 128.765 123.558 5.207 18364 7126 1 13 . 1 1 29 29 ILE HA H 29 5.224 5.224 4.760 0.464 18364 7127 1 13 . 1 1 29 29 ILE CA C 29 57.247 57.247 59.763 -2.516 18364 7128 1 13 . 1 1 29 29 ILE CB C 29 39.144 39.144 41.358 -2.214 18364 7129 1 13 . 1 1 29 29 ILE H H 29 9.631 9.631 8.731 0.900 18364 7130 1 13 . 1 1 30 30 GLY N N 30 112.478 112.478 112.531 -0.053 18364 7131 1 13 . 1 1 30 30 GLY CA C 30 42.140 42.140 45.246 -3.106 18364 7132 1 13 . 1 1 30 30 GLY H H 30 8.095 8.095 7.781 0.314 18364 7133 1 13 . 1 1 31 31 GLY N N 31 108.502 108.502 104.933 3.569 18364 7134 1 13 . 1 1 31 31 GLY CA C 31 43.201 43.201 44.253 -1.052 18364 7135 1 13 . 1 1 31 31 GLY H H 31 9.755 9.755 8.027 1.728 18364 7136 1 13 . 1 1 32 32 ALA N N 32 122.020 122.020 120.900 1.120 18364 7137 1 13 . 1 1 32 32 ALA HA H 32 4.967 4.967 5.238 -0.271 18364 7138 1 13 . 1 1 32 32 ALA CA C 32 48.540 48.540 49.910 -1.369 18364 7139 1 13 . 1 1 32 32 ALA CB C 32 21.078 21.078 22.521 -1.443 18364 7140 1 13 . 1 1 32 32 ALA H H 32 7.338 7.338 7.499 -0.161 18364 7141 1 13 . 1 1 33 33 ASP N N 33 121.217 121.217 120.360 0.857 18364 7142 1 13 . 1 1 33 33 ASP HA H 33 3.680 3.680 4.971 -1.291 18364 7143 1 13 . 1 1 33 33 ASP CA C 33 49.520 49.520 52.616 -3.096 18364 7144 1 13 . 1 1 33 33 ASP CB C 33 40.840 40.840 43.671 -2.831 18364 7145 1 13 . 1 1 33 33 ASP H H 33 8.945 8.945 8.975 -0.030 18364 7146 1 13 . 1 1 34 34 LYS N N 34 117.693 117.693 120.737 -3.044 18364 7147 1 13 . 1 1 34 34 LYS HA H 34 4.017 4.017 4.415 -0.398 18364 7148 1 13 . 1 1 34 34 LYS CA C 34 56.700 56.700 56.553 0.147 18364 7149 1 13 . 1 1 34 34 LYS CB C 34 29.772 29.772 30.932 -1.160 18364 7150 1 13 . 1 1 34 34 LYS H H 34 8.200 8.200 8.648 -0.448 18364 7151 1 13 . 1 1 35 35 GLY N N 35 106.697 106.697 109.185 -2.488 18364 7152 1 13 . 1 1 35 35 GLY CA C 35 42.719 42.719 44.749 -2.030 18364 7153 1 13 . 1 1 35 35 GLY H H 35 8.653 8.653 8.363 0.290 18364 7154 1 13 . 1 1 36 36 GLY N N 36 110.824 110.824 107.904 2.920 18364 7155 1 13 . 1 1 36 36 GLY CA C 36 41.099 41.099 44.814 -3.715 18364 7156 1 13 . 1 1 36 36 GLY H H 36 7.601 7.601 7.650 -0.049 18364 7157 1 13 . 1 1 37 37 PRO HA H 37 4.571 4.571 4.720 -0.149 18364 7158 1 13 . 1 1 37 37 PRO CA C 37 60.012 60.012 62.155 -2.143 18364 7159 1 13 . 1 1 37 37 PRO CB C 37 29.470 29.470 32.774 -3.304 18364 7160 1 13 . 1 1 38 38 ALA N N 38 127.841 127.841 126.123 1.718 18364 7161 1 13 . 1 1 38 38 ALA HA H 38 4.127 4.127 4.418 -0.291 18364 7162 1 13 . 1 1 38 38 ALA CA C 38 48.117 48.117 51.320 -3.203 18364 7163 1 13 . 1 1 38 38 ALA CB C 38 16.655 16.655 19.514 -2.859 18364 7164 1 13 . 1 1 38 38 ALA H H 38 7.486 7.486 8.339 -0.853 18364 7165 1 13 . 1 1 39 39 LYS N N 39 121.148 121.148 125.610 -4.462 18364 7166 1 13 . 1 1 39 39 LYS HA H 39 4.115 4.115 4.397 -0.282 18364 7167 1 13 . 1 1 39 39 LYS CA C 39 55.674 55.674 56.843 -1.169 18364 7168 1 13 . 1 1 39 39 LYS CB C 39 31.223 31.223 32.431 -1.208 18364 7169 1 13 . 1 1 39 39 LYS H H 39 8.042 8.042 8.503 -0.461 18364 7170 1 13 . 1 1 40 40 LEU N N 40 118.817 118.817 122.303 -3.486 18364 7171 1 13 . 1 1 40 40 LEU HA H 40 5.122 5.122 5.055 0.067 18364 7172 1 13 . 1 1 40 40 LEU CA C 40 50.156 50.156 53.029 -2.873 18364 7173 1 13 . 1 1 40 40 LEU CB C 40 42.172 42.172 43.178 -1.006 18364 7174 1 13 . 1 1 40 40 LEU H H 40 7.901 7.901 8.568 -0.667 18364 7175 1 13 . 1 1 41 41 TYR N N 41 117.843 117.843 117.413 0.430 18364 7176 1 13 . 1 1 41 41 TYR HA H 41 5.303 5.303 5.161 0.142 18364 7177 1 13 . 1 1 41 41 TYR CA C 41 53.394 53.394 56.769 -3.375 18364 7178 1 13 . 1 1 41 41 TYR CB C 41 39.419 39.419 42.389 -2.970 18364 7179 1 13 . 1 1 41 41 TYR H H 41 9.109 9.109 9.281 -0.172 18364 7180 1 13 . 1 1 42 42 ASN N N 42 117.689 117.689 118.702 -1.013 18364 7181 1 13 . 1 1 42 42 ASN HA H 42 4.984 4.984 5.030 -0.046 18364 7182 1 13 . 1 1 42 42 ASN CA C 42 48.001 48.001 51.340 -3.340 18364 7183 1 13 . 1 1 42 42 ASN CB C 42 36.514 36.514 40.641 -4.127 18364 7184 1 13 . 1 1 42 42 ASN H H 42 8.239 8.239 8.781 -0.542 18364 7185 1 13 . 1 1 43 43 ASP N N 43 116.760 116.760 118.589 -1.829 18364 7186 1 13 . 1 1 43 43 ASP HA H 43 4.170 4.170 4.574 -0.404 18364 7187 1 13 . 1 1 43 43 ASP CA C 43 53.123 53.123 55.906 -2.783 18364 7188 1 13 . 1 1 43 43 ASP CB C 43 37.355 37.355 40.387 -3.032 18364 7189 1 13 . 1 1 43 43 ASP H H 43 8.650 8.650 8.868 -0.218 18364 7190 1 13 . 1 1 44 44 LYS N N 44 118.108 118.108 118.044 0.064 18364 7191 1 13 . 1 1 44 44 LYS HA H 44 4.359 4.359 4.380 -0.021 18364 7192 1 13 . 1 1 44 44 LYS CA C 44 52.676 52.676 56.133 -3.457 18364 7193 1 13 . 1 1 44 44 LYS CB C 44 30.170 30.170 32.239 -2.068 18364 7194 1 13 . 1 1 44 44 LYS H H 44 7.505 7.505 8.030 -0.525 18364 7195 1 13 . 1 1 45 45 GLY N N 45 108.163 108.163 108.341 -0.178 18364 7196 1 13 . 1 1 45 45 GLY CA C 45 42.988 42.988 45.453 -2.465 18364 7197 1 13 . 1 1 45 45 GLY H H 45 8.117 8.117 8.305 -0.188 18364 7198 1 13 . 1 1 46 46 GLU N N 46 120.173 120.173 119.813 0.360 18364 7199 1 13 . 1 1 46 46 GLU HA H 46 4.345 4.345 4.808 -0.463 18364 7200 1 13 . 1 1 46 46 GLU CA C 46 52.409 52.409 54.742 -2.333 18364 7201 1 13 . 1 1 46 46 GLU CB C 46 27.408 27.408 32.395 -4.987 18364 7202 1 13 . 1 1 46 46 GLU H H 46 7.884 7.884 7.771 0.113 18364 7203 1 13 . 1 1 47 47 TYR N N 47 123.803 123.803 119.383 4.420 18364 7204 1 13 . 1 1 47 47 TYR HA H 47 4.351 4.351 4.140 0.211 18364 7205 1 13 . 1 1 47 47 TYR CA C 47 54.317 54.317 56.631 -2.314 18364 7206 1 13 . 1 1 47 47 TYR CB C 47 35.858 35.858 38.972 -3.114 18364 7207 1 13 . 1 1 47 47 TYR H H 47 8.710 8.710 8.526 0.184 18364 7208 1 13 . 1 1 48 48 ILE N N 48 123.458 123.458 114.984 8.474 18364 7209 1 13 . 1 1 48 48 ILE HA H 48 4.173 4.173 4.317 -0.144 18364 7210 1 13 . 1 1 48 48 ILE CA C 48 58.314 58.314 60.553 -2.239 18364 7211 1 13 . 1 1 48 48 ILE CB C 48 36.129 36.129 38.356 -2.228 18364 7212 1 13 . 1 1 48 48 ILE H H 48 8.416 8.416 8.460 -0.044 18364 7213 1 13 . 1 1 49 49 GLY N N 49 107.257 107.257 110.079 -2.822 18364 7214 1 13 . 1 1 49 49 GLY CA C 49 41.367 41.367 44.848 -3.481 18364 7215 1 13 . 1 1 49 49 GLY H H 49 5.472 5.472 7.983 -2.511 18364 7216 1 13 . 1 1 50 50 ASP N N 50 116.887 116.887 115.970 0.917 18364 7217 1 13 . 1 1 50 50 ASP HA H 50 5.043 5.043 5.015 0.028 18364 7218 1 13 . 1 1 50 50 ASP CA C 50 50.588 50.588 53.452 -2.864 18364 7219 1 13 . 1 1 50 50 ASP CB C 50 37.448 37.448 41.862 -4.414 18364 7220 1 13 . 1 1 50 50 ASP H H 50 8.234 8.234 8.603 -0.369 18364 7221 1 13 . 1 1 51 51 SER N N 51 112.664 112.664 112.186 0.478 18364 7222 1 13 . 1 1 51 51 SER HA H 51 4.439 4.439 5.198 -0.759 18364 7223 1 13 . 1 1 51 51 SER CA C 51 55.489 55.489 57.759 -2.270 18364 7224 1 13 . 1 1 51 51 SER CB C 51 61.559 61.559 65.755 -4.196 18364 7225 1 13 . 1 1 51 51 SER H H 51 7.689 7.689 7.509 0.180 18364 7226 1 13 . 1 1 52 52 TYR N N 52 122.672 122.672 117.112 5.560 18364 7227 1 13 . 1 1 52 52 TYR HA H 52 4.732 4.732 4.723 0.009 18364 7228 1 13 . 1 1 52 52 TYR CA C 52 55.168 55.168 57.671 -2.503 18364 7229 1 13 . 1 1 52 52 TYR CB C 52 38.599 38.599 39.028 -0.429 18364 7230 1 13 . 1 1 52 52 TYR H H 52 8.231 8.231 8.274 -0.043 18364 7231 1 13 . 1 1 53 53 SER N N 53 123.803 123.803 116.338 7.465 18364 7232 1 13 . 1 1 53 53 SER HA H 53 5.429 5.429 5.226 0.203 18364 7233 1 13 . 1 1 53 53 SER CA C 53 53.508 53.508 57.876 -4.368 18364 7234 1 13 . 1 1 53 53 SER CB C 53 61.674 61.674 64.880 -3.207 18364 7235 1 13 . 1 1 53 53 SER H H 53 8.008 8.008 8.606 -0.598 18364 7236 1 13 . 1 1 54 54 ALA N N 54 125.516 125.516 127.761 -2.245 18364 7237 1 13 . 1 1 54 54 ALA HA H 54 4.289 4.289 4.529 -0.240 18364 7238 1 13 . 1 1 54 54 ALA CA C 54 49.097 49.097 51.500 -2.403 18364 7239 1 13 . 1 1 54 54 ALA CB C 54 20.259 20.259 19.524 0.735 18364 7240 1 13 . 1 1 54 54 ALA H H 54 8.089 8.089 8.563 -0.474 18364 7241 1 13 . 1 1 55 55 GLN N N 55 118.838 118.838 125.243 -6.405 18364 7242 1 13 . 1 1 55 55 GLN HA H 55 4.975 4.975 4.583 0.392 18364 7243 1 13 . 1 1 55 55 GLN CA C 55 52.306 52.306 55.656 -3.350 18364 7244 1 13 . 1 1 55 55 GLN CB C 55 26.138 26.138 29.621 -3.483 18364 7245 1 13 . 1 1 55 55 GLN H H 55 8.100 8.100 8.630 -0.530 18364 7246 1 13 . 1 1 56 56 ILE N N 56 124.748 124.748 126.198 -1.450 18364 7247 1 13 . 1 1 56 56 ILE HA H 56 4.246 4.246 4.167 0.079 18364 7248 1 13 . 1 1 56 56 ILE CA C 56 57.529 57.529 60.870 -3.341 18364 7249 1 13 . 1 1 56 56 ILE CB C 56 34.915 34.915 36.562 -1.647 18364 7250 1 13 . 1 1 56 56 ILE H H 56 8.910 8.910 8.303 0.607 18364 7251 1 13 . 1 1 57 57 ARG N N 57 127.183 127.183 125.180 2.003 18364 7252 1 13 . 1 1 57 57 ARG HA H 57 4.777 4.777 4.842 -0.065 18364 7253 1 13 . 1 1 57 57 ARG CA C 57 52.455 52.455 55.620 -3.165 18364 7254 1 13 . 1 1 57 57 ARG CB C 57 28.839 28.839 31.168 -2.329 18364 7255 1 13 . 1 1 57 57 ARG H H 57 8.979 8.979 8.763 0.216 18364 7256 1 13 . 1 1 58 58 THR N N 58 109.995 109.995 109.431 0.564 18364 7257 1 13 . 1 1 58 58 THR HA H 58 4.529 4.529 4.653 -0.124 18364 7258 1 13 . 1 1 58 58 THR CA C 58 57.124 57.124 59.970 -2.846 18364 7259 1 13 . 1 1 58 58 THR CB C 58 68.143 68.143 71.870 -3.727 18364 7260 1 13 . 1 1 58 58 THR H H 58 7.150 7.150 7.598 -0.448 18364 7261 1 13 . 1 1 59 59 ALA N N 59 123.143 123.143 121.499 1.644 18364 7262 1 13 . 1 1 59 59 ALA HA H 59 4.167 4.167 4.165 0.002 18364 7263 1 13 . 1 1 59 59 ALA CA C 59 52.603 52.603 54.221 -1.617 18364 7264 1 13 . 1 1 59 59 ALA CB C 59 16.910 16.910 18.915 -2.005 18364 7265 1 13 . 1 1 59 59 ALA H H 59 8.531 8.531 8.533 -0.002 18364 7266 1 13 . 1 1 60 60 THR N N 60 105.988 105.988 108.739 -2.751 18364 7267 1 13 . 1 1 60 60 THR HA H 60 5.471 5.471 4.800 0.671 18364 7268 1 13 . 1 1 60 60 THR CA C 60 56.904 56.904 61.582 -4.678 18364 7269 1 13 . 1 1 60 60 THR CB C 60 69.111 69.111 70.347 -1.236 18364 7270 1 13 . 1 1 60 60 THR H H 60 7.521 7.521 7.559 -0.038 18364 7271 1 13 . 1 1 61 61 MET N N 61 124.706 124.706 120.731 3.975 18364 7272 1 13 . 1 1 61 61 MET HA H 61 4.641 4.641 4.946 -0.305 18364 7273 1 13 . 1 1 61 61 MET CA C 61 52.883 52.883 54.328 -1.445 18364 7274 1 13 . 1 1 61 61 MET CB C 61 32.345 32.345 37.723 -5.378 18364 7275 1 13 . 1 1 61 61 MET H H 61 8.758 8.758 9.067 -0.309 18364 7276 1 13 . 1 1 62 62 SER N N 62 117.004 117.004 114.451 2.553 18364 7277 1 13 . 1 1 62 62 SER HA H 62 5.551 5.551 5.379 0.172 18364 7278 1 13 . 1 1 62 62 SER CA C 62 54.255 54.255 57.602 -3.347 18364 7279 1 13 . 1 1 62 62 SER CB C 62 64.130 64.130 65.754 -1.624 18364 7280 1 13 . 1 1 62 62 SER H H 62 8.164 8.164 8.504 -0.340 18364 7281 1 13 . 1 1 63 63 CYS N N 63 120.270 120.270 118.702 1.568 18364 7282 1 13 . 1 1 63 63 CYS HA H 63 5.075 5.075 5.186 -0.111 18364 7283 1 13 . 1 1 63 63 CYS CA C 63 54.676 54.676 57.823 -3.147 18364 7284 1 13 . 1 1 63 63 CYS CB C 63 28.679 28.679 32.495 -3.816 18364 7285 1 13 . 1 1 63 63 CYS H H 63 8.537 8.537 8.878 -0.341 18364 7286 1 13 . 1 1 64 64 CYS N N 64 120.868 120.868 116.621 4.247 18364 7287 1 13 . 1 1 64 64 CYS HA H 64 5.918 5.918 5.714 0.204 18364 7288 1 13 . 1 1 64 64 CYS CA C 64 53.204 53.204 56.612 -3.408 18364 7289 1 13 . 1 1 64 64 CYS CB C 64 30.216 30.216 31.862 -1.646 18364 7290 1 13 . 1 1 64 64 CYS H H 64 9.307 9.307 8.852 0.455 18364 7291 1 13 . 1 1 65 65 THR N N 65 109.830 109.830 112.603 -2.773 18364 7292 1 13 . 1 1 65 65 THR HA H 65 5.426 5.426 4.974 0.452 18364 7293 1 13 . 1 1 65 65 THR CA C 65 58.465 58.465 60.003 -1.538 18364 7294 1 13 . 1 1 65 65 THR CB C 65 69.665 69.665 71.546 -1.881 18364 7295 1 13 . 1 1 65 65 THR H H 65 8.447 8.447 8.260 0.187 18364 7296 1 13 . 1 1 66 66 ASN N N 66 114.459 114.459 117.519 -3.060 18364 7297 1 13 . 1 1 66 66 ASN HA H 66 4.656 4.656 4.575 0.081 18364 7298 1 13 . 1 1 66 66 ASN CA C 66 49.879 49.879 52.336 -2.457 18364 7299 1 13 . 1 1 66 66 ASN CB C 66 36.267 36.267 39.608 -3.341 18364 7300 1 13 . 1 1 66 66 ASN H H 66 9.300 9.300 8.277 1.023 18364 7301 1 13 . 1 1 67 67 GLY N N 67 103.647 103.647 107.990 -4.343 18364 7302 1 13 . 1 1 67 67 GLY CA C 67 43.796 43.796 45.472 -1.676 18364 7303 1 13 . 1 1 67 67 GLY H H 67 8.237 8.237 8.578 -0.341 18364 7304 1 13 . 1 1 69 69 ALA N N 69 121.911 121.911 122.299 -0.388 18364 7305 1 13 . 1 1 69 69 ALA HA H 69 4.244 4.244 4.752 -0.508 18364 7306 1 13 . 1 1 69 69 ALA CA C 69 49.758 49.758 51.661 -1.903 18364 7307 1 13 . 1 1 69 69 ALA CB C 69 17.376 17.376 22.112 -4.736 18364 7308 1 13 . 1 1 69 69 ALA H H 69 7.677 7.677 7.768 -0.091 18364 7309 1 13 . 1 1 70 70 PHE N N 70 114.118 114.118 117.800 -3.682 18364 7310 1 13 . 1 1 70 70 PHE HA H 70 4.965 4.965 4.956 0.009 18364 7311 1 13 . 1 1 70 70 PHE CA C 70 53.129 53.129 58.160 -5.031 18364 7312 1 13 . 1 1 70 70 PHE CB C 70 37.917 37.917 42.172 -4.255 18364 7313 1 13 . 1 1 70 70 PHE H H 70 8.549 8.549 9.063 -0.514 18364 7314 1 13 . 1 1 71 71 PHE N N 71 110.252 110.252 113.494 -3.242 18364 7315 1 13 . 1 1 71 71 PHE HA H 71 4.247 4.247 4.652 -0.405 18364 7316 1 13 . 1 1 71 71 PHE CA C 71 54.475 54.475 55.695 -1.220 18364 7317 1 13 . 1 1 71 71 PHE CB C 71 38.123 38.123 41.697 -3.574 18364 7318 1 13 . 1 1 71 71 PHE H H 71 6.617 6.617 7.237 -0.620 18364 7319 1 13 . 1 1 72 72 MET N N 72 118.637 118.637 120.234 -1.597 18364 7320 1 13 . 1 1 72 72 MET HA H 72 4.800 4.800 4.659 0.141 18364 7321 1 13 . 1 1 72 72 MET CA C 72 53.108 53.108 55.306 -2.198 18364 7322 1 13 . 1 1 72 72 MET CB C 72 35.826 35.826 35.812 0.014 18364 7323 1 13 . 1 1 72 72 MET H H 72 8.162 8.162 8.621 -0.459 18364 7324 1 13 . 1 1 73 73 THR N N 73 117.278 117.278 121.652 -4.374 18364 7325 1 13 . 1 1 73 73 THR HA H 73 5.018 5.018 5.059 -0.041 18364 7326 1 13 . 1 1 73 73 THR CA C 73 58.316 58.316 61.865 -3.549 18364 7327 1 13 . 1 1 73 73 THR CB C 73 69.118 69.118 71.290 -2.172 18364 7328 1 13 . 1 1 73 73 THR H H 73 9.220 9.220 8.724 0.496 18364 7329 1 13 . 1 1 74 74 CYS N N 74 124.101 124.101 127.292 -3.191 18364 7330 1 13 . 1 1 74 74 CYS HA H 74 5.076 5.076 5.193 -0.117 18364 7331 1 13 . 1 1 74 74 CYS CA C 74 54.219 54.219 57.534 -3.315 18364 7332 1 13 . 1 1 74 74 CYS CB C 74 27.012 27.012 28.777 -1.765 18364 7333 1 13 . 1 1 74 74 CYS H H 74 8.958 8.958 9.016 -0.058 18364 7334 1 13 . 1 1 75 75 ALA N N 75 132.901 132.901 128.946 3.955 18364 7335 1 13 . 1 1 75 75 ALA HA H 75 4.975 4.975 5.521 -0.546 18364 7336 1 13 . 1 1 75 75 ALA CA C 75 47.826 47.826 50.007 -2.180 18364 7337 1 13 . 1 1 75 75 ALA CB C 75 18.111 18.111 22.752 -4.641 18364 7338 1 13 . 1 1 75 75 ALA H H 75 8.834 8.834 8.187 0.647 18364 7339 1 13 . 1 1 76 76 GLY N N 76 110.691 110.691 108.689 2.002 18364 7340 1 13 . 1 1 76 76 GLY CA C 76 41.784 41.784 45.113 -3.329 18364 7341 1 13 . 1 1 76 76 GLY H H 76 8.265 8.265 7.762 0.503 18364 7342 1 13 . 1 1 77 77 SER N N 77 115.145 115.145 113.397 1.748 18364 7343 1 13 . 1 1 77 77 SER HA H 77 4.980 4.980 4.828 0.152 18364 7344 1 13 . 1 1 77 77 SER CA C 77 54.022 54.022 57.530 -3.508 18364 7345 1 13 . 1 1 77 77 SER CB C 77 62.987 62.987 66.990 -4.003 18364 7346 1 13 . 1 1 77 77 SER H H 77 8.723 8.723 8.003 0.720 18364 7347 1 13 . 1 1 78 78 VAL N N 78 124.775 124.775 120.152 4.623 18364 7348 1 13 . 1 1 78 78 VAL HA H 78 4.634 4.634 5.307 -0.673 18364 7349 1 13 . 1 1 78 78 VAL CA C 78 58.437 58.437 59.545 -1.108 18364 7350 1 13 . 1 1 78 78 VAL CB C 78 32.177 32.177 35.228 -3.051 18364 7351 1 13 . 1 1 78 78 VAL H H 78 8.963 8.963 8.760 0.203 18364 7352 1 13 . 1 1 79 79 SER N N 79 118.951 118.951 121.923 -2.972 18364 7353 1 13 . 1 1 79 79 SER HA H 79 5.619 5.619 4.834 0.785 18364 7354 1 13 . 1 1 79 79 SER CA C 79 53.011 53.011 57.075 -4.064 18364 7355 1 13 . 1 1 79 79 SER CB C 79 64.197 64.197 66.161 -1.964 18364 7356 1 13 . 1 1 79 79 SER H H 79 8.661 8.661 8.960 -0.299 18364 7357 1 13 . 1 1 80 80 SER N N 80 114.750 114.750 114.262 0.488 18364 7358 1 13 . 1 1 80 80 SER HA H 80 4.439 4.439 4.917 -0.478 18364 7359 1 13 . 1 1 80 80 SER CA C 80 56.198 56.198 57.737 -1.539 18364 7360 1 13 . 1 1 80 80 SER CB C 80 63.490 63.490 65.455 -1.965 18364 7361 1 13 . 1 1 80 80 SER H H 80 8.563 8.563 8.675 -0.112 18364 7362 1 13 . 1 1 81 81 ILE N N 81 120.003 120.003 119.964 0.039 18364 7363 1 13 . 1 1 81 81 ILE HA H 81 4.576 4.576 4.682 -0.106 18364 7364 1 13 . 1 1 81 81 ILE CA C 81 57.951 57.951 59.930 -1.979 18364 7365 1 13 . 1 1 81 81 ILE CB C 81 36.011 36.011 39.369 -3.358 18364 7366 1 13 . 1 1 81 81 ILE H H 81 8.366 8.366 8.698 -0.332 18364 7367 1 13 . 1 1 82 82 SER N N 82 119.139 119.139 118.318 0.821 18364 7368 1 13 . 1 1 82 82 SER HA H 82 4.158 4.158 4.468 -0.310 18364 7369 1 13 . 1 1 82 82 SER CA C 82 56.910 56.910 57.917 -1.007 18364 7370 1 13 . 1 1 82 82 SER CB C 82 62.055 62.055 64.839 -2.784 18364 7371 1 13 . 1 1 82 82 SER H H 82 8.204 8.204 7.651 0.554 18364 7372 1 13 . 1 1 83 83 GLU N N 83 118.350 118.350 119.553 -1.203 18364 7373 1 13 . 1 1 83 83 GLU HA H 83 4.133 4.133 4.366 -0.233 18364 7374 1 13 . 1 1 83 83 GLU CA C 83 53.267 53.267 55.798 -2.531 18364 7375 1 13 . 1 1 83 83 GLU CB C 83 27.763 27.763 30.153 -2.390 18364 7376 1 13 . 1 1 83 83 GLU H H 83 8.381 8.381 8.589 -0.208 18364 7377 1 13 . 1 1 84 84 ALA N N 84 121.665 121.665 122.917 -1.252 18364 7378 1 13 . 1 1 84 84 ALA HA H 84 3.542 3.542 4.037 -0.495 18364 7379 1 13 . 1 1 84 84 ALA CA C 84 50.621 50.621 53.741 -3.120 18364 7380 1 13 . 1 1 84 84 ALA CB C 84 16.540 16.540 18.938 -2.398 18364 7381 1 13 . 1 1 84 84 ALA H H 84 8.482 8.482 8.373 0.109 18364 7382 1 13 . 1 1 85 85 GLY N N 85 108.356 108.356 107.331 1.025 18364 7383 1 13 . 1 1 85 85 GLY CA C 85 42.955 42.955 45.191 -2.236 18364 7384 1 13 . 1 1 85 85 GLY H H 85 8.078 8.078 8.238 -0.160 18364 7385 1 13 . 1 1 86 86 LYS N N 86 121.491 121.491 121.281 0.210 18364 7386 1 13 . 1 1 86 86 LYS HA H 86 4.638 4.638 4.585 0.053 18364 7387 1 13 . 1 1 86 86 LYS CA C 86 51.073 51.073 55.080 -4.007 18364 7388 1 13 . 1 1 86 86 LYS CB C 86 29.750 29.750 33.970 -4.220 18364 7389 1 13 . 1 1 86 86 LYS H H 86 8.225 8.225 8.357 -0.132 18364 7390 1 13 . 1 1 87 87 ARG N N 87 121.874 121.874 116.545 5.329 18364 7391 1 13 . 1 1 87 87 ARG HA H 87 5.673 5.673 5.232 0.441 18364 7392 1 13 . 1 1 87 87 ARG CA C 87 52.139 52.139 54.993 -2.854 18364 7393 1 13 . 1 1 87 87 ARG CB C 87 32.163 32.163 33.939 -1.776 18364 7394 1 13 . 1 1 87 87 ARG H H 87 9.979 9.979 8.374 1.605 18364 7395 1 13 . 1 1 88 88 LEU N N 88 125.264 125.264 121.560 3.704 18364 7396 1 13 . 1 1 88 88 LEU HA H 88 4.562 4.562 4.986 -0.424 18364 7397 1 13 . 1 1 88 88 LEU CA C 88 50.284 50.284 55.420 -5.136 18364 7398 1 13 . 1 1 88 88 LEU CB C 88 42.309 42.309 46.943 -4.634 18364 7399 1 13 . 1 1 88 88 LEU H H 88 8.756 8.756 8.927 -0.171 18364 7400 1 13 . 1 1 89 89 HIS N N 89 125.453 125.453 125.892 -0.439 18364 7401 1 13 . 1 1 89 89 HIS HA H 89 5.188 5.188 5.111 0.077 18364 7402 1 13 . 1 1 89 89 HIS CA C 89 51.389 51.389 54.379 -2.990 18364 7403 1 13 . 1 1 89 89 HIS CB C 89 27.731 27.731 31.673 -3.942 18364 7404 1 13 . 1 1 89 89 HIS H H 89 8.910 8.910 8.323 0.587 18364 7405 1 13 . 1 1 90 90 ILE N N 90 126.486 126.486 129.000 -2.514 18364 7406 1 13 . 1 1 90 90 ILE HA H 90 5.020 5.020 4.597 0.423 18364 7407 1 13 . 1 1 90 90 ILE CA C 90 55.642 55.642 60.571 -4.929 18364 7408 1 13 . 1 1 90 90 ILE CB C 90 38.696 38.696 39.349 -0.653 18364 7409 1 13 . 1 1 90 90 ILE H H 90 8.689 8.689 7.760 0.929 18364 7410 1 13 . 1 1 91 91 THR N N 91 123.200 123.200 123.323 -0.123 18364 7411 1 13 . 1 1 91 91 THR HA H 91 5.017 5.017 4.551 0.466 18364 7412 1 13 . 1 1 91 91 THR CA C 91 58.555 58.555 61.619 -3.064 18364 7413 1 13 . 1 1 91 91 THR CB C 91 68.702 68.702 70.451 -1.749 18364 7414 1 13 . 1 1 91 91 THR H H 91 8.636 8.636 8.390 0.246 18364 7415 1 13 . 1 1 92 92 VAL N N 92 127.071 127.071 121.723 5.348 18364 7416 1 13 . 1 1 92 92 VAL HA H 92 5.018 5.018 4.838 0.180 18364 7417 1 13 . 1 1 92 92 VAL CA C 92 57.969 57.969 60.824 -2.855 18364 7418 1 13 . 1 1 92 92 VAL CB C 92 31.323 31.323 32.131 -0.808 18364 7419 1 13 . 1 1 92 92 VAL H H 92 9.162 9.162 9.088 0.074 18364 7420 1 13 . 1 1 93 93 ILE N N 93 127.095 127.095 126.233 0.862 18364 7421 1 13 . 1 1 93 93 ILE HA H 93 4.461 4.461 4.826 -0.365 18364 7422 1 13 . 1 1 93 93 ILE CA C 93 57.972 57.972 59.595 -1.623 18364 7423 1 13 . 1 1 93 93 ILE CB C 93 38.929 38.929 41.777 -2.848 18364 7424 1 13 . 1 1 93 93 ILE H H 93 9.313 9.313 8.572 0.741 18364 7425 1 13 . 1 1 94 94 GLY N N 94 111.893 111.893 109.598 2.295 18364 7426 1 13 . 1 1 94 94 GLY CA C 94 41.781 41.781 44.736 -2.955 18364 7427 1 13 . 1 1 94 94 GLY H H 94 8.577 8.577 8.567 0.010 18364 7428 1 13 . 1 1 95 95 TYR N N 95 123.099 123.099 122.788 0.311 18364 7429 1 13 . 1 1 95 95 TYR HA H 95 5.399 5.399 5.578 -0.179 18364 7430 1 13 . 1 1 95 95 TYR CA C 95 54.052 54.052 56.288 -2.236 18364 7431 1 13 . 1 1 95 95 TYR CB C 95 41.285 41.285 43.480 -2.195 18364 7432 1 13 . 1 1 95 95 TYR H H 95 9.640 9.640 9.293 0.347 18364 7433 1 13 . 1 1 96 96 ILE N N 96 116.705 116.705 121.432 -4.727 18364 7434 1 13 . 1 1 96 96 ILE HA H 96 4.208 4.208 4.512 -0.304 18364 7435 1 13 . 1 1 96 96 ILE CA C 96 58.977 58.977 60.428 -1.451 18364 7436 1 13 . 1 1 96 96 ILE CB C 96 37.245 37.245 41.330 -4.085 18364 7437 1 13 . 1 1 96 96 ILE H H 96 8.270 8.270 9.207 -0.936 18364 7438 1 13 . 1 1 97 97 ASP N N 97 130.442 130.442 129.581 0.861 18364 7439 1 13 . 1 1 97 97 ASP HA H 97 4.165 4.165 4.177 -0.012 18364 7440 1 13 . 1 1 97 97 ASP CA C 97 53.736 53.736 55.851 -2.115 18364 7441 1 13 . 1 1 97 97 ASP CB C 97 36.870 36.870 40.187 -3.317 18364 7442 1 13 . 1 1 97 97 ASP H H 97 9.849 9.849 8.724 1.125 18364 7443 1 13 . 1 1 98 98 ASP N N 98 114.957 114.957 114.817 0.140 18364 7444 1 13 . 1 1 98 98 ASP HA H 98 4.694 4.694 4.192 0.502 18364 7445 1 13 . 1 1 98 98 ASP CB C 98 36.266 36.266 40.560 -4.295 18364 7446 1 13 . 1 1 98 98 ASP H H 98 8.355 8.355 8.711 -0.356 18364 7447 1 13 . 1 1 99 99 LYS N N 99 121.680 121.680 118.631 3.049 18364 7448 1 13 . 1 1 99 99 LYS HA H 99 4.590 4.590 4.742 -0.152 18364 7449 1 13 . 1 1 99 99 LYS CA C 99 52.354 52.354 55.006 -2.652 18364 7450 1 13 . 1 1 99 99 LYS CB C 99 30.958 30.958 35.620 -4.662 18364 7451 1 13 . 1 1 99 99 LYS H H 99 8.049 8.049 7.856 0.193 18364 7452 1 13 . 1 1 100 100 GLU N N 100 127.574 127.574 124.112 3.462 18364 7453 1 13 . 1 1 100 100 GLU HA H 100 3.804 3.804 4.202 -0.398 18364 7454 1 13 . 1 1 100 100 GLU CA C 100 54.562 54.562 56.539 -1.977 18364 7455 1 13 . 1 1 100 100 GLU CB C 100 26.808 26.808 30.175 -3.367 18364 7456 1 13 . 1 1 100 100 GLU H H 100 8.839 8.839 8.809 0.030 18364 7457 1 13 . 1 1 101 101 VAL N N 101 120.606 120.606 121.418 -0.812 18364 7458 1 13 . 1 1 101 101 VAL HA H 101 4.534 4.534 4.513 0.021 18364 7459 1 13 . 1 1 101 101 VAL CA C 101 58.379 58.379 61.381 -3.002 18364 7460 1 13 . 1 1 101 101 VAL CB C 101 31.223 31.223 33.383 -2.160 18364 7461 1 13 . 1 1 101 101 VAL H H 101 8.997 8.997 8.704 0.293 18364 7462 1 13 . 1 1 102 102 ASN N N 102 118.568 118.568 120.416 -1.848 18364 7463 1 13 . 1 1 102 102 ASN HA H 102 4.782 4.782 4.933 -0.151 18364 7464 1 13 . 1 1 102 102 ASN CA C 102 50.154 50.154 52.833 -2.679 18364 7465 1 13 . 1 1 102 102 ASN CB C 102 38.848 38.848 41.618 -2.770 18364 7466 1 13 . 1 1 102 102 ASN H H 102 7.598 7.598 7.714 -0.116 18364 7467 1 13 . 1 1 103 103 ARG N N 103 120.366 120.366 120.276 0.090 18364 7468 1 13 . 1 1 103 103 ARG HA H 103 5.051 5.051 5.294 -0.243 18364 7469 1 13 . 1 1 103 103 ARG CA C 103 52.900 52.900 55.297 -2.397 18364 7470 1 13 . 1 1 103 103 ARG CB C 103 31.710 31.710 32.162 -0.452 18364 7471 1 13 . 1 1 103 103 ARG H H 103 8.155 8.155 8.326 -0.171 18364 7472 1 13 . 1 1 104 104 LEU N N 104 128.859 128.859 119.820 9.039 18364 7473 1 13 . 1 1 104 104 LEU HA H 104 4.553 4.553 5.101 -0.548 18364 7474 1 13 . 1 1 104 104 LEU CA C 104 51.272 51.272 53.342 -2.070 18364 7475 1 13 . 1 1 104 104 LEU CB C 104 43.549 43.549 45.543 -1.994 18364 7476 1 13 . 1 1 104 104 LEU H H 104 9.271 9.271 8.922 0.349 18364 7477 1 13 . 1 1 105 105 GLU N N 105 125.663 125.663 116.332 9.331 18364 7478 1 13 . 1 1 105 105 GLU HA H 105 5.179 5.179 5.062 0.117 18364 7479 1 13 . 1 1 105 105 GLU CA C 105 51.966 51.966 54.482 -2.516 18364 7480 1 13 . 1 1 105 105 GLU CB C 105 29.358 29.358 32.210 -2.852 18364 7481 1 13 . 1 1 105 105 GLU H H 105 8.346 8.346 8.267 0.079 18364 7482 1 13 . 1 1 106 106 LYS N N 106 123.659 123.659 118.173 5.486 18364 7483 1 13 . 1 1 106 106 LYS HA H 106 4.281 4.281 4.421 -0.140 18364 7484 1 13 . 1 1 106 106 LYS CA C 106 51.118 51.118 54.729 -3.611 18364 7485 1 13 . 1 1 106 106 LYS CB C 106 34.761 34.761 36.510 -1.749 18364 7486 1 13 . 1 1 106 106 LYS H H 106 8.526 8.526 8.351 0.175 18364 7487 1 13 . 1 1 107 107 GLU N N 107 121.917 121.917 119.737 2.180 18364 7488 1 13 . 1 1 107 107 GLU HA H 107 4.949 4.949 4.879 0.070 18364 7489 1 13 . 1 1 107 107 GLU CA C 107 51.404 51.404 54.952 -3.548 18364 7490 1 13 . 1 1 107 107 GLU CB C 107 29.906 29.906 32.001 -2.095 18364 7491 1 13 . 1 1 107 107 GLU H H 107 7.773 7.773 8.001 -0.228 18364 7492 1 13 . 1 1 108 108 TYR N N 108 124.981 124.981 122.984 1.997 18364 7493 1 13 . 1 1 108 108 TYR HA H 108 4.720 4.720 4.885 -0.165 18364 7494 1 13 . 1 1 108 108 TYR CA C 108 54.188 54.188 56.533 -2.345 18364 7495 1 13 . 1 1 108 108 TYR CB C 108 39.101 39.101 42.701 -3.600 18364 7496 1 13 . 1 1 108 108 TYR H H 108 9.031 9.031 8.907 0.124 18364 7497 1 13 . 1 1 109 109 ILE N N 109 121.680 121.680 119.243 2.437 18364 7498 1 13 . 1 1 109 109 ILE HA H 109 5.471 5.471 4.762 0.709 18364 7499 1 13 . 1 1 109 109 ILE CA C 109 56.592 56.592 60.247 -3.655 18364 7500 1 13 . 1 1 109 109 ILE CB C 109 38.728 38.728 42.864 -4.136 18364 7501 1 13 . 1 1 109 109 ILE H H 109 8.475 8.475 8.410 0.065 18364 7502 1 13 . 1 1 110 110 THR N N 110 117.537 117.537 115.153 2.384 18364 7503 1 13 . 1 1 110 110 THR HA H 110 4.521 4.521 4.555 -0.034 18364 7504 1 13 . 1 1 110 110 THR CA C 110 59.337 59.337 61.612 -2.276 18364 7505 1 13 . 1 1 110 110 THR CB C 110 67.143 67.143 70.376 -3.233 18364 7506 1 13 . 1 1 110 110 THR H H 110 9.180 9.180 8.302 0.878 18364 7507 1 13 . 1 1 111 111 ASP N N 111 122.428 122.428 124.629 -2.201 18364 7508 1 13 . 1 1 111 111 ASP HA H 111 4.721 4.721 4.747 -0.026 18364 7509 1 13 . 1 1 111 111 ASP CA C 111 50.135 50.135 53.813 -3.678 18364 7510 1 13 . 1 1 111 111 ASP CB C 111 39.613 39.613 40.842 -1.229 18364 7511 1 13 . 1 1 111 111 ASP H H 111 9.342 9.342 8.675 0.667 18364 7512 1 13 . 1 1 112 112 GLY N N 112 110.714 110.714 106.818 3.896 18364 7513 1 13 . 1 1 112 112 GLY CA C 112 43.084 43.084 45.057 -1.973 18364 7514 1 13 . 1 1 112 112 GLY H H 112 8.333 8.333 8.652 -0.319 18364 7515 1 13 . 1 1 113 113 ASN N N 113 119.462 119.462 119.948 -0.486 18364 7516 1 13 . 1 1 113 113 ASN HA H 113 4.926 4.926 4.882 0.044 18364 7517 1 13 . 1 1 113 113 ASN CA C 113 49.373 49.373 52.579 -3.206 18364 7518 1 13 . 1 1 113 113 ASN CB C 113 37.377 37.377 38.894 -1.516 18364 7519 1 13 . 1 1 113 113 ASN H H 113 8.210 8.210 8.028 0.182 18364 7520 1 13 . 1 1 114 114 THR N N 114 117.962 117.962 113.582 4.380 18364 7521 1 13 . 1 1 114 114 THR HA H 114 4.136 4.136 4.116 0.020 18364 7522 1 13 . 1 1 114 114 THR CA C 114 62.066 62.066 62.576 -0.510 18364 7523 1 13 . 1 1 114 114 THR CB C 114 66.489 66.489 68.765 -2.276 18364 7524 1 13 . 1 1 114 114 THR H H 114 8.436 8.436 8.287 0.149 18364 7525 1 13 . 1 1 115 115 LEU N N 115 132.998 132.998 129.018 3.980 18364 7526 1 13 . 1 1 115 115 LEU HA H 115 4.607 4.607 4.496 0.111 18364 7527 1 13 . 1 1 115 115 LEU CA C 115 52.335 52.335 55.401 -3.066 18364 7528 1 13 . 1 1 115 115 LEU CB C 115 41.546 41.546 42.966 -1.420 18364 7529 1 13 . 1 1 115 115 LEU H H 115 8.789 8.789 8.272 0.517 18364 7530 1 13 . 1 1 116 116 ILE N N 116 126.586 126.586 123.626 2.960 18364 7531 1 13 . 1 1 116 116 ILE HA H 116 4.784 4.784 4.923 -0.139 18364 7532 1 13 . 1 1 116 116 ILE CA C 116 58.270 58.270 60.087 -1.817 18364 7533 1 13 . 1 1 116 116 ILE CB C 116 37.909 37.909 42.505 -4.596 18364 7534 1 13 . 1 1 116 116 ILE H H 116 8.637 8.637 8.108 0.529 18364 7535 1 13 . 1 1 117 117 GLU N N 117 127.084 127.084 121.854 5.230 18364 7536 1 13 . 1 1 117 117 GLU HA H 117 4.830 4.830 4.689 0.141 18364 7537 1 13 . 1 1 117 117 GLU CA C 117 51.847 51.847 54.956 -3.109 18364 7538 1 13 . 1 1 117 117 GLU CB C 117 32.299 32.299 34.310 -2.011 18364 7539 1 13 . 1 1 117 117 GLU H H 117 8.933 8.933 8.986 -0.053 18364 7540 1 13 . 1 1 118 118 THR N N 118 110.826 110.826 111.737 -0.911 18364 7541 1 13 . 1 1 118 118 THR HA H 118 5.190 5.190 4.495 0.695 18364 7542 1 13 . 1 1 118 118 THR CA C 118 57.036 57.036 60.546 -3.510 18364 7543 1 13 . 1 1 118 118 THR CB C 118 69.888 69.888 70.760 -0.871 18364 7544 1 13 . 1 1 118 118 THR H H 118 8.664 8.664 8.384 0.280 18364 7545 1 13 . 1 1 119 119 PHE N N 119 115.915 115.915 114.815 1.100 18364 7546 1 13 . 1 1 119 119 PHE HA H 119 4.999 4.999 5.007 -0.008 18364 7547 1 13 . 1 1 119 119 PHE CA C 119 53.804 53.804 57.154 -3.350 18364 7548 1 13 . 1 1 119 119 PHE CB C 119 39.787 39.787 41.717 -1.930 18364 7549 1 13 . 1 1 119 119 PHE H H 119 8.087 8.087 7.684 0.403 18364 7550 1 13 . 1 1 120 120 SER N N 120 114.953 114.953 116.702 -1.749 18364 7551 1 13 . 1 1 120 120 SER HA H 120 5.383 5.383 5.509 -0.126 18364 7552 1 13 . 1 1 120 120 SER CA C 120 55.192 55.192 57.497 -2.305 18364 7553 1 13 . 1 1 120 120 SER CB C 120 62.113 62.113 65.667 -3.554 18364 7554 1 13 . 1 1 120 120 SER H H 120 8.627 8.627 8.619 0.008 18364 7555 1 13 . 1 1 121 121 VAL N N 121 124.122 124.122 123.923 0.199 18364 7556 1 13 . 1 1 121 121 VAL HA H 121 4.349 4.349 4.643 -0.294 18364 7557 1 13 . 1 1 121 121 VAL CA C 121 59.005 59.005 60.381 -1.376 18364 7558 1 13 . 1 1 121 121 VAL CB C 121 34.127 34.127 35.833 -1.706 18364 7559 1 13 . 1 1 121 121 VAL H H 121 8.866 8.866 8.928 -0.062 18364 7560 1 13 . 1 1 122 122 SER N N 122 119.703 119.703 119.320 0.383 18364 7561 1 13 . 1 1 122 122 SER HA H 122 5.598 5.598 5.390 0.208 18364 7562 1 13 . 1 1 122 122 SER CA C 122 53.065 53.065 56.028 -2.963 18364 7563 1 13 . 1 1 122 122 SER CB C 122 63.442 63.442 64.545 -1.103 18364 7564 1 13 . 1 1 122 122 SER H H 122 8.334 8.334 8.776 -0.442 18364 7565 1 13 . 1 1 123 123 THR N N 123 113.276 113.276 110.082 3.194 18364 7566 1 13 . 1 1 123 123 THR HA H 123 4.093 4.093 4.710 -0.617 18364 7567 1 13 . 1 1 123 123 THR CA C 123 60.143 60.143 61.563 -1.420 18364 7568 1 13 . 1 1 123 123 THR CB C 123 64.437 64.437 69.464 -5.027 18364 7569 1 13 . 1 1 123 123 THR H H 123 8.898 8.898 8.243 0.655 18364 7570 1 13 . 1 1 124 124 LYS N N 124 119.191 119.191 121.031 -1.840 18364 7571 1 13 . 1 1 124 124 LYS HA H 124 4.324 4.324 4.474 -0.150 18364 7572 1 13 . 1 1 124 124 LYS CA C 124 53.486 53.486 56.894 -3.408 18364 7573 1 13 . 1 1 124 124 LYS CB C 124 32.376 32.376 35.234 -2.858 18364 7574 1 13 . 1 1 124 124 LYS H H 124 7.569 7.569 7.804 -0.235 18364 7575 1 13 . 1 1 125 125 GLU N N 125 124.243 124.243 126.367 -2.124 18364 7576 1 13 . 1 1 125 125 GLU HA H 125 4.255 4.255 4.853 -0.598 18364 7577 1 13 . 1 1 125 125 GLU CA C 125 53.830 53.830 56.169 -2.339 18364 7578 1 13 . 1 1 125 125 GLU CB C 125 27.674 27.674 30.430 -2.756 18364 7579 1 13 . 1 1 125 125 GLU H H 125 8.359 8.359 8.766 -0.407 18364 7580 1 14 . 1 1 2 2 ALA CA C 2 50.698 50.698 51.877 -1.179 18364 7581 1 14 . 1 1 2 2 ALA CB C 2 16.688 16.688 19.429 -2.741 18364 7582 1 14 . 1 1 3 3 SER N N 3 113.663 113.663 115.185 -1.522 18364 7583 1 14 . 1 1 3 3 SER HA H 3 4.296 4.296 4.368 -0.072 18364 7584 1 14 . 1 1 3 3 SER CA C 3 55.573 55.573 57.945 -2.372 18364 7585 1 14 . 1 1 3 3 SER CB C 3 60.888 60.888 63.563 -2.675 18364 7586 1 14 . 1 1 3 3 SER H H 3 8.301 8.301 8.317 -0.016 18364 7587 1 14 . 1 1 4 4 ASP N N 4 121.532 121.532 123.337 -1.805 18364 7588 1 14 . 1 1 4 4 ASP HA H 4 4.394 4.394 4.541 -0.147 18364 7589 1 14 . 1 1 4 4 ASP CA C 4 51.748 51.748 54.326 -2.578 18364 7590 1 14 . 1 1 4 4 ASP CB C 4 38.614 38.614 39.408 -0.794 18364 7591 1 14 . 1 1 4 4 ASP H H 4 7.874 7.874 8.101 -0.227 18364 7592 1 14 . 1 1 5 5 PHE N N 5 119.126 119.126 122.283 -3.157 18364 7593 1 14 . 1 1 5 5 PHE HA H 5 4.535 4.535 4.828 -0.293 18364 7594 1 14 . 1 1 5 5 PHE CA C 5 54.589 54.589 57.796 -3.207 18364 7595 1 14 . 1 1 5 5 PHE CB C 5 37.079 37.079 41.007 -3.928 18364 7596 1 14 . 1 1 5 5 PHE H H 5 7.832 7.832 7.684 0.148 18364 7597 1 14 . 1 1 6 6 GLN N N 6 122.092 122.092 124.152 -2.060 18364 7598 1 14 . 1 1 6 6 GLN HA H 6 4.417 4.417 4.713 -0.296 18364 7599 1 14 . 1 1 6 6 GLN CA C 6 53.128 53.128 55.708 -2.580 18364 7600 1 14 . 1 1 6 6 GLN CB C 6 27.477 27.477 32.310 -4.833 18364 7601 1 14 . 1 1 6 6 GLN H H 6 8.447 8.447 8.723 -0.276 18364 7602 1 14 . 1 1 7 7 THR N N 7 114.717 114.717 112.973 1.744 18364 7603 1 14 . 1 1 7 7 THR HA H 7 5.035 5.035 4.607 0.428 18364 7604 1 14 . 1 1 7 7 THR CA C 7 57.906 57.906 60.166 -2.260 18364 7605 1 14 . 1 1 7 7 THR CB C 7 68.370 68.370 71.757 -3.386 18364 7606 1 14 . 1 1 7 7 THR H H 7 8.145 8.145 8.074 0.071 18364 7607 1 14 . 1 1 8 8 GLY N N 8 111.628 111.628 108.920 2.708 18364 7608 1 14 . 1 1 8 8 GLY CA C 8 43.774 43.774 46.023 -2.249 18364 7609 1 14 . 1 1 8 8 GLY H H 8 9.234 9.234 8.495 0.739 18364 7610 1 14 . 1 1 9 9 ILE N N 9 119.585 119.585 123.403 -3.818 18364 7611 1 14 . 1 1 9 9 ILE HA H 9 3.934 3.934 4.466 -0.532 18364 7612 1 14 . 1 1 9 9 ILE CA C 9 58.907 58.907 59.842 -0.935 18364 7613 1 14 . 1 1 9 9 ILE CB C 9 35.738 35.738 38.779 -3.041 18364 7614 1 14 . 1 1 9 9 ILE H H 9 8.603 8.603 7.699 0.904 18364 7615 1 14 . 1 1 10 10 HIS N N 10 133.616 133.616 126.180 7.436 18364 7616 1 14 . 1 1 10 10 HIS HA H 10 5.185 5.185 5.051 0.134 18364 7617 1 14 . 1 1 10 10 HIS CA C 10 53.587 53.587 56.969 -3.382 18364 7618 1 14 . 1 1 10 10 HIS CB C 10 30.817 30.817 31.012 -0.195 18364 7619 1 14 . 1 1 10 10 HIS H H 10 8.599 8.599 8.924 -0.325 18364 7620 1 14 . 1 1 11 11 LYS N N 11 122.949 122.949 120.603 2.346 18364 7621 1 14 . 1 1 11 11 LYS HA H 11 5.236 5.236 5.032 0.204 18364 7622 1 14 . 1 1 11 11 LYS CA C 11 52.748 52.748 54.788 -2.040 18364 7623 1 14 . 1 1 11 11 LYS CB C 11 35.137 35.137 36.553 -1.416 18364 7624 1 14 . 1 1 11 11 LYS H H 11 8.775 8.775 9.043 -0.268 18364 7625 1 14 . 1 1 12 12 ILE N N 12 125.260 125.260 120.133 5.127 18364 7626 1 14 . 1 1 12 12 ILE HA H 12 5.273 5.273 5.163 0.110 18364 7627 1 14 . 1 1 12 12 ILE CA C 12 55.780 55.780 58.640 -2.860 18364 7628 1 14 . 1 1 12 12 ILE CB C 12 38.767 38.767 42.661 -3.894 18364 7629 1 14 . 1 1 12 12 ILE H H 12 8.578 8.578 9.008 -0.430 18364 7630 1 14 . 1 1 13 13 VAL N N 13 126.515 126.515 123.549 2.966 18364 7631 1 14 . 1 1 13 13 VAL HA H 13 4.795 4.795 4.784 0.011 18364 7632 1 14 . 1 1 13 13 VAL CA C 13 58.115 58.115 60.984 -2.869 18364 7633 1 14 . 1 1 13 13 VAL CB C 13 32.948 32.948 34.575 -1.627 18364 7634 1 14 . 1 1 13 13 VAL H H 13 9.052 9.052 8.787 0.265 18364 7635 1 14 . 1 1 14 14 ILE N N 14 125.803 125.803 126.829 -1.026 18364 7636 1 14 . 1 1 14 14 ILE HA H 14 5.008 5.008 5.023 -0.015 18364 7637 1 14 . 1 1 14 14 ILE CA C 14 57.539 57.539 60.033 -2.494 18364 7638 1 14 . 1 1 14 14 ILE CB C 14 38.656 38.656 41.185 -2.530 18364 7639 1 14 . 1 1 14 14 ILE H H 14 8.974 8.974 8.603 0.371 18364 7640 1 14 . 1 1 15 15 GLN N N 15 125.773 125.773 125.252 0.521 18364 7641 1 14 . 1 1 15 15 GLN HA H 15 5.433 5.433 5.521 -0.088 18364 7642 1 14 . 1 1 15 15 GLN CA C 15 51.002 51.002 53.870 -2.868 18364 7643 1 14 . 1 1 15 15 GLN CB C 15 29.637 29.637 33.006 -3.369 18364 7644 1 14 . 1 1 15 15 GLN H H 15 9.244 9.244 8.977 0.267 18364 7645 1 14 . 1 1 16 16 GLN N N 16 119.832 119.832 118.075 1.757 18364 7646 1 14 . 1 1 16 16 GLN HA H 16 5.741 5.741 5.386 0.355 18364 7647 1 14 . 1 1 16 16 GLN CA C 16 50.572 50.572 54.444 -3.872 18364 7648 1 14 . 1 1 16 16 GLN CB C 16 30.039 30.039 33.275 -3.236 18364 7649 1 14 . 1 1 16 16 GLN H H 16 8.964 8.964 8.649 0.315 18364 7650 1 14 . 1 1 17 17 SER N N 17 115.201 115.201 117.076 -1.875 18364 7651 1 14 . 1 1 17 17 SER HA H 17 4.526 4.526 4.903 -0.377 18364 7652 1 14 . 1 1 17 17 SER CA C 17 54.831 54.831 57.557 -2.726 18364 7653 1 14 . 1 1 17 17 SER CB C 17 62.930 62.930 65.956 -3.026 18364 7654 1 14 . 1 1 17 17 SER H H 17 8.770 8.770 8.538 0.232 18364 7655 1 14 . 1 1 18 18 GLY N N 18 109.321 109.321 110.898 -1.577 18364 7656 1 14 . 1 1 18 18 GLY CA C 18 41.737 41.737 45.080 -3.343 18364 7657 1 14 . 1 1 18 18 GLY H H 18 8.798 8.798 8.461 0.337 18364 7658 1 14 . 1 1 19 19 ASP N N 19 128.121 128.121 124.402 3.719 18364 7659 1 14 . 1 1 19 19 ASP HA H 19 5.071 5.071 4.903 0.168 18364 7660 1 14 . 1 1 19 19 ASP CA C 19 51.251 51.251 54.148 -2.897 18364 7661 1 14 . 1 1 19 19 ASP CB C 19 37.872 37.872 40.246 -2.374 18364 7662 1 14 . 1 1 19 19 ASP H H 19 9.708 9.708 8.481 1.227 18364 7663 1 14 . 1 1 20 20 THR N N 20 111.610 111.610 111.692 -0.082 18364 7664 1 14 . 1 1 20 20 THR HA H 20 3.615 3.615 4.262 -0.647 18364 7665 1 14 . 1 1 20 20 THR CA C 20 63.331 63.331 62.762 0.569 18364 7666 1 14 . 1 1 20 20 THR CB C 20 64.873 64.873 67.823 -2.950 18364 7667 1 14 . 1 1 20 20 THR H H 20 8.136 8.136 8.014 0.122 18364 7668 1 14 . 1 1 21 21 ASP N N 21 118.304 118.304 119.588 -1.284 18364 7669 1 14 . 1 1 21 21 ASP HA H 21 4.639 4.639 4.906 -0.267 18364 7670 1 14 . 1 1 21 21 ASP CA C 21 52.945 52.945 54.145 -1.200 18364 7671 1 14 . 1 1 21 21 ASP CB C 21 37.785 37.785 42.090 -4.305 18364 7672 1 14 . 1 1 21 21 ASP H H 21 8.566 8.566 7.944 0.622 18364 7673 1 14 . 1 1 22 22 SER N N 22 114.253 114.253 115.389 -1.136 18364 7674 1 14 . 1 1 22 22 SER HA H 22 4.384 4.384 4.661 -0.277 18364 7675 1 14 . 1 1 22 22 SER CA C 22 57.170 57.170 58.579 -1.409 18364 7676 1 14 . 1 1 22 22 SER CB C 22 61.441 61.441 64.609 -3.168 18364 7677 1 14 . 1 1 22 22 SER H H 22 8.076 8.076 8.164 -0.088 18364 7678 1 14 . 1 1 23 23 PHE N N 23 119.853 119.853 120.059 -0.206 18364 7679 1 14 . 1 1 23 23 PHE HA H 23 5.010 5.010 4.949 0.061 18364 7680 1 14 . 1 1 23 23 PHE CA C 23 53.272 53.272 56.847 -3.575 18364 7681 1 14 . 1 1 23 23 PHE CB C 23 42.021 42.021 42.951 -0.930 18364 7682 1 14 . 1 1 23 23 PHE H H 23 7.611 7.611 7.871 -0.260 18364 7683 1 14 . 1 1 24 24 GLU N N 24 119.255 119.255 126.289 -7.034 18364 7684 1 14 . 1 1 24 24 GLU HA H 24 4.571 4.571 4.469 0.102 18364 7685 1 14 . 1 1 24 24 GLU CA C 24 52.642 52.642 55.414 -2.772 18364 7686 1 14 . 1 1 24 24 GLU CB C 24 28.881 28.881 28.436 0.445 18364 7687 1 14 . 1 1 24 24 GLU H H 24 8.958 8.958 8.807 0.151 18364 7688 1 14 . 1 1 25 25 VAL N N 25 130.637 130.637 124.296 6.341 18364 7689 1 14 . 1 1 25 25 VAL HA H 25 4.859 4.859 4.401 0.458 18364 7690 1 14 . 1 1 25 25 VAL CA C 25 58.548 58.548 61.606 -3.058 18364 7691 1 14 . 1 1 25 25 VAL CB C 25 30.439 30.439 32.361 -1.922 18364 7692 1 14 . 1 1 25 25 VAL H H 25 9.678 9.678 7.566 2.112 18364 7693 1 14 . 1 1 26 26 SER N N 26 122.555 122.555 125.112 -2.557 18364 7694 1 14 . 1 1 26 26 SER HA H 26 5.289 5.289 4.583 0.706 18364 7695 1 14 . 1 1 26 26 SER CA C 26 54.088 54.088 58.453 -4.365 18364 7696 1 14 . 1 1 26 26 SER CB C 26 62.476 62.476 64.189 -1.713 18364 7697 1 14 . 1 1 26 26 SER H H 26 8.883 8.883 8.546 0.337 18364 7698 1 14 . 1 1 27 27 VAL N N 27 113.682 113.682 122.787 -9.105 18364 7699 1 14 . 1 1 27 27 VAL HA H 27 5.269 5.269 4.374 0.895 18364 7700 1 14 . 1 1 27 27 VAL CA C 27 56.005 56.005 60.477 -4.473 18364 7701 1 14 . 1 1 27 27 VAL CB C 27 34.158 34.158 34.505 -0.347 18364 7702 1 14 . 1 1 27 27 VAL H H 27 8.493 8.493 8.840 -0.347 18364 7703 1 14 . 1 1 28 28 SER N N 28 116.852 116.852 116.882 -0.030 18364 7704 1 14 . 1 1 28 28 SER HA H 28 5.410 5.410 5.076 0.334 18364 7705 1 14 . 1 1 28 28 SER CA C 28 54.633 54.633 57.063 -2.430 18364 7706 1 14 . 1 1 28 28 SER CB C 28 62.095 62.095 64.637 -2.542 18364 7707 1 14 . 1 1 28 28 SER H H 28 8.709 8.709 8.932 -0.223 18364 7708 1 14 . 1 1 29 29 ILE N N 29 128.765 128.765 126.324 2.441 18364 7709 1 14 . 1 1 29 29 ILE HA H 29 5.224 5.224 4.855 0.369 18364 7710 1 14 . 1 1 29 29 ILE CA C 29 57.247 57.247 59.799 -2.552 18364 7711 1 14 . 1 1 29 29 ILE CB C 29 39.144 39.144 40.864 -1.720 18364 7712 1 14 . 1 1 29 29 ILE H H 29 9.631 9.631 8.913 0.718 18364 7713 1 14 . 1 1 30 30 GLY N N 30 112.478 112.478 113.096 -0.618 18364 7714 1 14 . 1 1 30 30 GLY CA C 30 42.140 42.140 44.487 -2.347 18364 7715 1 14 . 1 1 30 30 GLY H H 30 8.095 8.095 7.869 0.226 18364 7716 1 14 . 1 1 31 31 GLY N N 31 108.502 108.502 104.691 3.811 18364 7717 1 14 . 1 1 31 31 GLY CA C 31 43.201 43.201 45.185 -1.984 18364 7718 1 14 . 1 1 31 31 GLY H H 31 9.755 9.755 7.926 1.829 18364 7719 1 14 . 1 1 32 32 ALA N N 32 122.020 122.020 120.411 1.609 18364 7720 1 14 . 1 1 32 32 ALA HA H 32 4.967 4.967 5.373 -0.406 18364 7721 1 14 . 1 1 32 32 ALA CA C 32 48.540 48.540 50.190 -1.650 18364 7722 1 14 . 1 1 32 32 ALA CB C 32 21.078 21.078 23.231 -2.153 18364 7723 1 14 . 1 1 32 32 ALA H H 32 7.338 7.338 7.246 0.092 18364 7724 1 14 . 1 1 33 33 ASP N N 33 121.217 121.217 119.499 1.718 18364 7725 1 14 . 1 1 33 33 ASP HA H 33 3.680 3.680 5.081 -1.401 18364 7726 1 14 . 1 1 33 33 ASP CA C 33 49.520 49.520 52.288 -2.768 18364 7727 1 14 . 1 1 33 33 ASP CB C 33 40.840 40.840 42.825 -1.985 18364 7728 1 14 . 1 1 33 33 ASP H H 33 8.945 8.945 8.833 0.112 18364 7729 1 14 . 1 1 34 34 LYS N N 34 117.693 117.693 122.670 -4.977 18364 7730 1 14 . 1 1 34 34 LYS HA H 34 4.017 4.017 4.145 -0.128 18364 7731 1 14 . 1 1 34 34 LYS CA C 34 56.700 56.700 57.007 -0.307 18364 7732 1 14 . 1 1 34 34 LYS CB C 34 29.772 29.772 31.723 -1.951 18364 7733 1 14 . 1 1 34 34 LYS H H 34 8.200 8.200 9.299 -1.099 18364 7734 1 14 . 1 1 35 35 GLY N N 35 106.697 106.697 103.074 3.623 18364 7735 1 14 . 1 1 35 35 GLY CA C 35 42.719 42.719 44.888 -2.169 18364 7736 1 14 . 1 1 35 35 GLY H H 35 8.653 8.653 8.248 0.405 18364 7737 1 14 . 1 1 36 36 GLY N N 36 110.824 110.824 107.613 3.211 18364 7738 1 14 . 1 1 36 36 GLY CA C 36 41.099 41.099 43.873 -2.774 18364 7739 1 14 . 1 1 36 36 GLY H H 36 7.601 7.601 7.991 -0.390 18364 7740 1 14 . 1 1 37 37 PRO HA H 37 4.571 4.571 4.789 -0.218 18364 7741 1 14 . 1 1 37 37 PRO CA C 37 60.012 60.012 62.325 -2.313 18364 7742 1 14 . 1 1 37 37 PRO CB C 37 29.470 29.470 32.836 -3.366 18364 7743 1 14 . 1 1 38 38 ALA N N 38 127.841 127.841 124.426 3.415 18364 7744 1 14 . 1 1 38 38 ALA HA H 38 4.127 4.127 4.733 -0.606 18364 7745 1 14 . 1 1 38 38 ALA CA C 38 48.117 48.117 50.103 -1.986 18364 7746 1 14 . 1 1 38 38 ALA CB C 38 16.655 16.655 21.602 -4.947 18364 7747 1 14 . 1 1 38 38 ALA H H 38 7.486 7.486 7.869 -0.383 18364 7748 1 14 . 1 1 39 39 LYS N N 39 121.148 121.148 125.357 -4.209 18364 7749 1 14 . 1 1 39 39 LYS HA H 39 4.115 4.115 4.361 -0.246 18364 7750 1 14 . 1 1 39 39 LYS CA C 39 55.674 55.674 56.759 -1.085 18364 7751 1 14 . 1 1 39 39 LYS CB C 39 31.223 31.223 31.920 -0.697 18364 7752 1 14 . 1 1 39 39 LYS H H 39 8.042 8.042 8.639 -0.597 18364 7753 1 14 . 1 1 40 40 LEU N N 40 118.817 118.817 125.138 -6.321 18364 7754 1 14 . 1 1 40 40 LEU HA H 40 5.122 5.122 4.764 0.358 18364 7755 1 14 . 1 1 40 40 LEU CA C 40 50.156 50.156 54.588 -4.432 18364 7756 1 14 . 1 1 40 40 LEU CB C 40 42.172 42.172 43.869 -1.697 18364 7757 1 14 . 1 1 40 40 LEU H H 40 7.901 7.901 8.830 -0.929 18364 7758 1 14 . 1 1 41 41 TYR N N 41 117.843 117.843 118.041 -0.198 18364 7759 1 14 . 1 1 41 41 TYR HA H 41 5.303 5.303 5.167 0.136 18364 7760 1 14 . 1 1 41 41 TYR CA C 41 53.394 53.394 56.573 -3.179 18364 7761 1 14 . 1 1 41 41 TYR CB C 41 39.419 39.419 41.462 -2.043 18364 7762 1 14 . 1 1 41 41 TYR H H 41 9.109 9.109 9.383 -0.274 18364 7763 1 14 . 1 1 42 42 ASN N N 42 117.689 117.689 119.988 -2.299 18364 7764 1 14 . 1 1 42 42 ASN HA H 42 4.984 4.984 4.853 0.131 18364 7765 1 14 . 1 1 42 42 ASN CA C 42 48.001 48.001 52.185 -4.184 18364 7766 1 14 . 1 1 42 42 ASN CB C 42 36.514 36.514 40.108 -3.594 18364 7767 1 14 . 1 1 42 42 ASN H H 42 8.239 8.239 8.731 -0.492 18364 7768 1 14 . 1 1 43 43 ASP N N 43 116.760 116.760 118.059 -1.299 18364 7769 1 14 . 1 1 43 43 ASP HA H 43 4.170 4.170 4.483 -0.313 18364 7770 1 14 . 1 1 43 43 ASP CA C 43 53.123 53.123 55.675 -2.552 18364 7771 1 14 . 1 1 43 43 ASP CB C 43 37.355 37.355 39.791 -2.436 18364 7772 1 14 . 1 1 43 43 ASP H H 43 8.650 8.650 8.795 -0.145 18364 7773 1 14 . 1 1 44 44 LYS N N 44 118.108 118.108 118.522 -0.414 18364 7774 1 14 . 1 1 44 44 LYS HA H 44 4.359 4.359 4.451 -0.092 18364 7775 1 14 . 1 1 44 44 LYS CA C 44 52.676 52.676 55.666 -2.990 18364 7776 1 14 . 1 1 44 44 LYS CB C 44 30.170 30.170 32.779 -2.609 18364 7777 1 14 . 1 1 44 44 LYS H H 44 7.505 7.505 7.941 -0.436 18364 7778 1 14 . 1 1 45 45 GLY N N 45 108.163 108.163 108.869 -0.706 18364 7779 1 14 . 1 1 45 45 GLY CA C 45 42.988 42.988 45.857 -2.869 18364 7780 1 14 . 1 1 45 45 GLY H H 45 8.117 8.117 7.935 0.182 18364 7781 1 14 . 1 1 46 46 GLU N N 46 120.173 120.173 118.912 1.261 18364 7782 1 14 . 1 1 46 46 GLU HA H 46 4.345 4.345 4.755 -0.410 18364 7783 1 14 . 1 1 46 46 GLU CA C 46 52.409 52.409 54.763 -2.353 18364 7784 1 14 . 1 1 46 46 GLU CB C 46 27.408 27.408 31.835 -4.427 18364 7785 1 14 . 1 1 46 46 GLU H H 46 7.884 7.884 7.936 -0.052 18364 7786 1 14 . 1 1 47 47 TYR N N 47 123.803 123.803 120.059 3.744 18364 7787 1 14 . 1 1 47 47 TYR HA H 47 4.351 4.351 4.311 0.040 18364 7788 1 14 . 1 1 47 47 TYR CA C 47 54.317 54.317 57.650 -3.333 18364 7789 1 14 . 1 1 47 47 TYR CB C 47 35.858 35.858 38.965 -3.107 18364 7790 1 14 . 1 1 47 47 TYR H H 47 8.710 8.710 8.308 0.402 18364 7791 1 14 . 1 1 48 48 ILE N N 48 123.458 123.458 115.215 8.243 18364 7792 1 14 . 1 1 48 48 ILE HA H 48 4.173 4.173 4.269 -0.096 18364 7793 1 14 . 1 1 48 48 ILE CA C 48 58.314 58.314 60.754 -2.440 18364 7794 1 14 . 1 1 48 48 ILE CB C 48 36.129 36.129 39.268 -3.139 18364 7795 1 14 . 1 1 48 48 ILE H H 48 8.416 8.416 8.191 0.225 18364 7796 1 14 . 1 1 49 49 GLY N N 49 107.257 107.257 109.862 -2.605 18364 7797 1 14 . 1 1 49 49 GLY CA C 49 41.367 41.367 45.599 -4.232 18364 7798 1 14 . 1 1 49 49 GLY H H 49 5.472 5.472 7.629 -2.157 18364 7799 1 14 . 1 1 50 50 ASP N N 50 116.887 116.887 116.015 0.872 18364 7800 1 14 . 1 1 50 50 ASP HA H 50 5.043 5.043 5.075 -0.032 18364 7801 1 14 . 1 1 50 50 ASP CA C 50 50.588 50.588 54.072 -3.484 18364 7802 1 14 . 1 1 50 50 ASP CB C 50 37.448 37.448 42.202 -4.753 18364 7803 1 14 . 1 1 50 50 ASP H H 50 8.234 8.234 8.587 -0.353 18364 7804 1 14 . 1 1 51 51 SER N N 51 112.664 112.664 112.960 -0.296 18364 7805 1 14 . 1 1 51 51 SER HA H 51 4.439 4.439 4.868 -0.429 18364 7806 1 14 . 1 1 51 51 SER CA C 51 55.489 55.489 57.824 -2.335 18364 7807 1 14 . 1 1 51 51 SER CB C 51 61.559 61.559 64.144 -2.585 18364 7808 1 14 . 1 1 51 51 SER H H 51 7.689 7.689 7.473 0.216 18364 7809 1 14 . 1 1 52 52 TYR N N 52 122.672 122.672 121.051 1.621 18364 7810 1 14 . 1 1 52 52 TYR HA H 52 4.732 4.732 4.803 -0.071 18364 7811 1 14 . 1 1 52 52 TYR CA C 52 55.168 55.168 57.675 -2.507 18364 7812 1 14 . 1 1 52 52 TYR CB C 52 38.599 38.599 38.486 0.113 18364 7813 1 14 . 1 1 52 52 TYR H H 52 8.231 8.231 8.287 -0.056 18364 7814 1 14 . 1 1 53 53 SER N N 53 123.803 123.803 116.727 7.076 18364 7815 1 14 . 1 1 53 53 SER HA H 53 5.429 5.429 5.332 0.097 18364 7816 1 14 . 1 1 53 53 SER CA C 53 53.508 53.508 57.063 -3.555 18364 7817 1 14 . 1 1 53 53 SER CB C 53 61.674 61.674 66.215 -4.541 18364 7818 1 14 . 1 1 53 53 SER H H 53 8.008 8.008 8.681 -0.673 18364 7819 1 14 . 1 1 54 54 ALA N N 54 125.516 125.516 122.226 3.290 18364 7820 1 14 . 1 1 54 54 ALA HA H 54 4.289 4.289 4.657 -0.368 18364 7821 1 14 . 1 1 54 54 ALA CA C 54 49.097 49.097 52.017 -2.920 18364 7822 1 14 . 1 1 54 54 ALA CB C 54 20.259 20.259 21.945 -1.686 18364 7823 1 14 . 1 1 54 54 ALA H H 54 8.089 8.089 8.596 -0.507 18364 7824 1 14 . 1 1 55 55 GLN N N 55 118.838 118.838 121.296 -2.458 18364 7825 1 14 . 1 1 55 55 GLN HA H 55 4.975 4.975 5.243 -0.268 18364 7826 1 14 . 1 1 55 55 GLN CA C 55 52.306 52.306 53.698 -1.392 18364 7827 1 14 . 1 1 55 55 GLN CB C 55 26.138 26.138 31.910 -5.772 18364 7828 1 14 . 1 1 55 55 GLN H H 55 8.100 8.100 8.606 -0.506 18364 7829 1 14 . 1 1 56 56 ILE N N 56 124.748 124.748 127.413 -2.665 18364 7830 1 14 . 1 1 56 56 ILE HA H 56 4.246 4.246 4.233 0.013 18364 7831 1 14 . 1 1 56 56 ILE CA C 56 57.529 57.529 60.112 -2.583 18364 7832 1 14 . 1 1 56 56 ILE CB C 56 34.915 34.915 35.396 -0.481 18364 7833 1 14 . 1 1 56 56 ILE H H 56 8.910 8.910 8.738 0.172 18364 7834 1 14 . 1 1 57 57 ARG N N 57 127.183 127.183 124.371 2.812 18364 7835 1 14 . 1 1 57 57 ARG HA H 57 4.777 4.777 4.675 0.102 18364 7836 1 14 . 1 1 57 57 ARG CA C 57 52.455 52.455 54.219 -1.764 18364 7837 1 14 . 1 1 57 57 ARG CB C 57 28.839 28.839 30.373 -1.534 18364 7838 1 14 . 1 1 57 57 ARG H H 57 8.979 8.979 7.900 1.079 18364 7839 1 14 . 1 1 58 58 THR N N 58 109.995 109.995 111.026 -1.031 18364 7840 1 14 . 1 1 58 58 THR HA H 58 4.529 4.529 4.686 -0.157 18364 7841 1 14 . 1 1 58 58 THR CA C 58 57.124 57.124 60.062 -2.938 18364 7842 1 14 . 1 1 58 58 THR CB C 58 68.143 68.143 70.392 -2.249 18364 7843 1 14 . 1 1 58 58 THR H H 58 7.150 7.150 7.369 -0.219 18364 7844 1 14 . 1 1 59 59 ALA N N 59 123.143 123.143 122.250 0.893 18364 7845 1 14 . 1 1 59 59 ALA HA H 59 4.167 4.167 4.213 -0.046 18364 7846 1 14 . 1 1 59 59 ALA CA C 59 52.603 52.603 54.002 -1.399 18364 7847 1 14 . 1 1 59 59 ALA CB C 59 16.910 16.910 19.445 -2.535 18364 7848 1 14 . 1 1 59 59 ALA H H 59 8.531 8.531 8.497 0.034 18364 7849 1 14 . 1 1 60 60 THR N N 60 105.988 105.988 108.135 -2.147 18364 7850 1 14 . 1 1 60 60 THR HA H 60 5.471 5.471 4.792 0.679 18364 7851 1 14 . 1 1 60 60 THR CA C 60 56.904 56.904 61.023 -4.119 18364 7852 1 14 . 1 1 60 60 THR CB C 60 69.111 69.111 70.720 -1.609 18364 7853 1 14 . 1 1 60 60 THR H H 60 7.521 7.521 7.606 -0.085 18364 7854 1 14 . 1 1 61 61 MET N N 61 124.706 124.706 123.914 0.792 18364 7855 1 14 . 1 1 61 61 MET HA H 61 4.641 4.641 4.974 -0.333 18364 7856 1 14 . 1 1 61 61 MET CA C 61 52.883 52.883 53.910 -1.027 18364 7857 1 14 . 1 1 61 61 MET CB C 61 32.345 32.345 36.793 -4.448 18364 7858 1 14 . 1 1 61 61 MET H H 61 8.758 8.758 9.339 -0.581 18364 7859 1 14 . 1 1 62 62 SER N N 62 117.004 117.004 114.753 2.251 18364 7860 1 14 . 1 1 62 62 SER HA H 62 5.551 5.551 5.282 0.269 18364 7861 1 14 . 1 1 62 62 SER CA C 62 54.255 54.255 57.502 -3.247 18364 7862 1 14 . 1 1 62 62 SER CB C 62 64.130 64.130 66.319 -2.189 18364 7863 1 14 . 1 1 62 62 SER H H 62 8.164 8.164 8.528 -0.364 18364 7864 1 14 . 1 1 63 63 CYS N N 63 120.270 120.270 117.280 2.990 18364 7865 1 14 . 1 1 63 63 CYS HA H 63 5.075 5.075 5.410 -0.335 18364 7866 1 14 . 1 1 63 63 CYS CA C 63 54.676 54.676 57.333 -2.656 18364 7867 1 14 . 1 1 63 63 CYS CB C 63 28.679 28.679 32.072 -3.393 18364 7868 1 14 . 1 1 63 63 CYS H H 63 8.537 8.537 8.597 -0.060 18364 7869 1 14 . 1 1 64 64 CYS N N 64 120.868 120.868 117.978 2.890 18364 7870 1 14 . 1 1 64 64 CYS HA H 64 5.918 5.918 5.411 0.507 18364 7871 1 14 . 1 1 64 64 CYS CA C 64 53.204 53.204 56.307 -3.103 18364 7872 1 14 . 1 1 64 64 CYS CB C 64 30.216 30.216 31.384 -1.168 18364 7873 1 14 . 1 1 64 64 CYS H H 64 9.307 9.307 9.195 0.112 18364 7874 1 14 . 1 1 65 65 THR N N 65 109.830 109.830 113.475 -3.645 18364 7875 1 14 . 1 1 65 65 THR HA H 65 5.426 5.426 5.064 0.362 18364 7876 1 14 . 1 1 65 65 THR CA C 65 58.465 58.465 59.470 -1.005 18364 7877 1 14 . 1 1 65 65 THR CB C 65 69.665 69.665 70.749 -1.084 18364 7878 1 14 . 1 1 65 65 THR H H 65 8.447 8.447 7.952 0.494 18364 7879 1 14 . 1 1 66 66 ASN N N 66 114.459 114.459 119.327 -4.868 18364 7880 1 14 . 1 1 66 66 ASN HA H 66 4.656 4.656 4.505 0.151 18364 7881 1 14 . 1 1 66 66 ASN CA C 66 49.879 49.879 52.725 -2.846 18364 7882 1 14 . 1 1 66 66 ASN CB C 66 36.267 36.267 38.877 -2.610 18364 7883 1 14 . 1 1 66 66 ASN H H 66 9.300 9.300 8.097 1.203 18364 7884 1 14 . 1 1 67 67 GLY N N 67 103.647 103.647 107.194 -3.547 18364 7885 1 14 . 1 1 67 67 GLY CA C 67 43.796 43.796 45.071 -1.275 18364 7886 1 14 . 1 1 67 67 GLY H H 67 8.237 8.237 8.682 -0.445 18364 7887 1 14 . 1 1 69 69 ALA N N 69 121.911 121.911 124.351 -2.440 18364 7888 1 14 . 1 1 69 69 ALA HA H 69 4.244 4.244 4.638 -0.394 18364 7889 1 14 . 1 1 69 69 ALA CA C 69 49.758 49.758 51.665 -1.907 18364 7890 1 14 . 1 1 69 69 ALA CB C 69 17.376 17.376 21.003 -3.627 18364 7891 1 14 . 1 1 69 69 ALA H H 69 7.677 7.677 7.744 -0.067 18364 7892 1 14 . 1 1 70 70 PHE N N 70 114.118 114.118 117.800 -3.682 18364 7893 1 14 . 1 1 70 70 PHE HA H 70 4.965 4.965 4.801 0.164 18364 7894 1 14 . 1 1 70 70 PHE CA C 70 53.129 53.129 59.066 -5.938 18364 7895 1 14 . 1 1 70 70 PHE CB C 70 37.917 37.917 42.911 -4.994 18364 7896 1 14 . 1 1 70 70 PHE H H 70 8.549 8.549 8.814 -0.265 18364 7897 1 14 . 1 1 71 71 PHE N N 71 110.252 110.252 113.241 -2.989 18364 7898 1 14 . 1 1 71 71 PHE HA H 71 4.247 4.247 4.535 -0.288 18364 7899 1 14 . 1 1 71 71 PHE CA C 71 54.475 54.475 55.696 -1.221 18364 7900 1 14 . 1 1 71 71 PHE CB C 71 38.123 38.123 41.531 -3.408 18364 7901 1 14 . 1 1 71 71 PHE H H 71 6.617 6.617 7.224 -0.607 18364 7902 1 14 . 1 1 72 72 MET N N 72 118.637 118.637 118.744 -0.107 18364 7903 1 14 . 1 1 72 72 MET HA H 72 4.800 4.800 4.651 0.149 18364 7904 1 14 . 1 1 72 72 MET CA C 72 53.108 53.108 54.939 -1.831 18364 7905 1 14 . 1 1 72 72 MET CB C 72 35.826 35.826 36.586 -0.760 18364 7906 1 14 . 1 1 72 72 MET H H 72 8.162 8.162 8.523 -0.361 18364 7907 1 14 . 1 1 73 73 THR N N 73 117.278 117.278 116.350 0.928 18364 7908 1 14 . 1 1 73 73 THR HA H 73 5.018 5.018 5.045 -0.027 18364 7909 1 14 . 1 1 73 73 THR CA C 73 58.316 58.316 60.895 -2.579 18364 7910 1 14 . 1 1 73 73 THR CB C 73 69.118 69.118 71.450 -2.332 18364 7911 1 14 . 1 1 73 73 THR H H 73 9.220 9.220 8.596 0.624 18364 7912 1 14 . 1 1 74 74 CYS N N 74 124.101 124.101 127.618 -3.517 18364 7913 1 14 . 1 1 74 74 CYS HA H 74 5.076 5.076 5.377 -0.301 18364 7914 1 14 . 1 1 74 74 CYS CA C 74 54.219 54.219 56.655 -2.436 18364 7915 1 14 . 1 1 74 74 CYS CB C 74 27.012 27.012 28.196 -1.184 18364 7916 1 14 . 1 1 74 74 CYS H H 74 8.958 8.958 8.440 0.518 18364 7917 1 14 . 1 1 75 75 ALA N N 75 132.901 132.901 126.101 6.800 18364 7918 1 14 . 1 1 75 75 ALA HA H 75 4.975 4.975 4.565 0.410 18364 7919 1 14 . 1 1 75 75 ALA CA C 75 47.826 47.826 52.047 -4.221 18364 7920 1 14 . 1 1 75 75 ALA CB C 75 18.111 18.111 20.013 -1.902 18364 7921 1 14 . 1 1 75 75 ALA H H 75 8.834 8.834 7.995 0.839 18364 7922 1 14 . 1 1 76 76 GLY N N 76 110.691 110.691 107.609 3.082 18364 7923 1 14 . 1 1 76 76 GLY CA C 76 41.784 41.784 44.779 -2.995 18364 7924 1 14 . 1 1 76 76 GLY H H 76 8.265 8.265 7.948 0.317 18364 7925 1 14 . 1 1 77 77 SER N N 77 115.145 115.145 113.636 1.509 18364 7926 1 14 . 1 1 77 77 SER HA H 77 4.980 4.980 5.253 -0.273 18364 7927 1 14 . 1 1 77 77 SER CA C 77 54.022 54.022 56.669 -2.647 18364 7928 1 14 . 1 1 77 77 SER CB C 77 62.987 62.987 67.007 -4.020 18364 7929 1 14 . 1 1 77 77 SER H H 77 8.723 8.723 9.028 -0.305 18364 7930 1 14 . 1 1 78 78 VAL N N 78 124.775 124.775 120.217 4.558 18364 7931 1 14 . 1 1 78 78 VAL HA H 78 4.634 4.634 4.356 0.278 18364 7932 1 14 . 1 1 78 78 VAL CA C 78 58.437 58.437 61.224 -2.787 18364 7933 1 14 . 1 1 78 78 VAL CB C 78 32.177 32.177 35.282 -3.105 18364 7934 1 14 . 1 1 78 78 VAL H H 78 8.963 8.963 8.336 0.627 18364 7935 1 14 . 1 1 79 79 SER N N 79 118.951 118.951 120.700 -1.749 18364 7936 1 14 . 1 1 79 79 SER HA H 79 5.619 5.619 5.272 0.347 18364 7937 1 14 . 1 1 79 79 SER CA C 79 53.011 53.011 56.667 -3.656 18364 7938 1 14 . 1 1 79 79 SER CB C 79 64.197 64.197 66.786 -2.589 18364 7939 1 14 . 1 1 79 79 SER H H 79 8.661 8.661 8.227 0.434 18364 7940 1 14 . 1 1 80 80 SER N N 80 114.750 114.750 114.527 0.223 18364 7941 1 14 . 1 1 80 80 SER HA H 80 4.439 4.439 4.889 -0.450 18364 7942 1 14 . 1 1 80 80 SER CA C 80 56.198 56.198 56.972 -0.774 18364 7943 1 14 . 1 1 80 80 SER CB C 80 63.490 63.490 66.153 -2.663 18364 7944 1 14 . 1 1 80 80 SER H H 80 8.563 8.563 8.705 -0.142 18364 7945 1 14 . 1 1 81 81 ILE N N 81 120.003 120.003 115.775 4.228 18364 7946 1 14 . 1 1 81 81 ILE HA H 81 4.576 4.576 4.359 0.217 18364 7947 1 14 . 1 1 81 81 ILE CA C 81 57.951 57.951 60.585 -2.634 18364 7948 1 14 . 1 1 81 81 ILE CB C 81 36.011 36.011 38.957 -2.946 18364 7949 1 14 . 1 1 81 81 ILE H H 81 8.366 8.366 8.092 0.274 18364 7950 1 14 . 1 1 82 82 SER N N 82 119.139 119.139 118.322 0.817 18364 7951 1 14 . 1 1 82 82 SER HA H 82 4.158 4.158 4.416 -0.258 18364 7952 1 14 . 1 1 82 82 SER CA C 82 56.910 56.910 58.662 -1.752 18364 7953 1 14 . 1 1 82 82 SER CB C 82 62.055 62.055 63.772 -1.717 18364 7954 1 14 . 1 1 82 82 SER H H 82 8.204 8.204 7.978 0.226 18364 7955 1 14 . 1 1 83 83 GLU N N 83 118.350 118.350 119.511 -1.161 18364 7956 1 14 . 1 1 83 83 GLU HA H 83 4.133 4.133 4.236 -0.103 18364 7957 1 14 . 1 1 83 83 GLU CA C 83 53.267 53.267 56.357 -3.090 18364 7958 1 14 . 1 1 83 83 GLU CB C 83 27.763 27.763 30.222 -2.459 18364 7959 1 14 . 1 1 83 83 GLU H H 83 8.381 8.381 8.429 -0.048 18364 7960 1 14 . 1 1 84 84 ALA N N 84 121.665 121.665 122.571 -0.906 18364 7961 1 14 . 1 1 84 84 ALA HA H 84 3.542 3.542 4.147 -0.605 18364 7962 1 14 . 1 1 84 84 ALA CA C 84 50.621 50.621 53.707 -3.086 18364 7963 1 14 . 1 1 84 84 ALA CB C 84 16.540 16.540 18.906 -2.366 18364 7964 1 14 . 1 1 84 84 ALA H H 84 8.482 8.482 8.200 0.282 18364 7965 1 14 . 1 1 85 85 GLY N N 85 108.356 108.356 108.277 0.079 18364 7966 1 14 . 1 1 85 85 GLY CA C 85 42.955 42.955 45.413 -2.458 18364 7967 1 14 . 1 1 85 85 GLY H H 85 8.078 8.078 8.619 -0.541 18364 7968 1 14 . 1 1 86 86 LYS N N 86 121.491 121.491 121.655 -0.164 18364 7969 1 14 . 1 1 86 86 LYS HA H 86 4.638 4.638 4.550 0.088 18364 7970 1 14 . 1 1 86 86 LYS CA C 86 51.073 51.073 56.099 -5.026 18364 7971 1 14 . 1 1 86 86 LYS CB C 86 29.750 29.750 32.580 -2.830 18364 7972 1 14 . 1 1 86 86 LYS H H 86 8.225 8.225 7.934 0.291 18364 7973 1 14 . 1 1 87 87 ARG N N 87 121.874 121.874 121.745 0.129 18364 7974 1 14 . 1 1 87 87 ARG HA H 87 5.673 5.673 5.505 0.168 18364 7975 1 14 . 1 1 87 87 ARG CA C 87 52.139 52.139 54.598 -2.459 18364 7976 1 14 . 1 1 87 87 ARG CB C 87 32.163 32.163 34.170 -2.007 18364 7977 1 14 . 1 1 87 87 ARG H H 87 9.979 9.979 8.326 1.653 18364 7978 1 14 . 1 1 88 88 LEU N N 88 125.264 125.264 120.497 4.767 18364 7979 1 14 . 1 1 88 88 LEU HA H 88 4.562 4.562 4.584 -0.022 18364 7980 1 14 . 1 1 88 88 LEU CA C 88 50.284 50.284 54.967 -4.683 18364 7981 1 14 . 1 1 88 88 LEU CB C 88 42.309 42.309 44.682 -2.373 18364 7982 1 14 . 1 1 88 88 LEU H H 88 8.756 8.756 8.366 0.390 18364 7983 1 14 . 1 1 89 89 HIS N N 89 125.453 125.453 125.805 -0.352 18364 7984 1 14 . 1 1 89 89 HIS HA H 89 5.188 5.188 5.230 -0.042 18364 7985 1 14 . 1 1 89 89 HIS CA C 89 51.389 51.389 54.042 -2.654 18364 7986 1 14 . 1 1 89 89 HIS CB C 89 27.731 27.731 33.282 -5.551 18364 7987 1 14 . 1 1 89 89 HIS H H 89 8.910 8.910 9.178 -0.268 18364 7988 1 14 . 1 1 90 90 ILE N N 90 126.486 126.486 127.991 -1.505 18364 7989 1 14 . 1 1 90 90 ILE HA H 90 5.020 5.020 4.837 0.183 18364 7990 1 14 . 1 1 90 90 ILE CA C 90 55.642 55.642 59.490 -3.848 18364 7991 1 14 . 1 1 90 90 ILE CB C 90 38.696 38.696 39.715 -1.019 18364 7992 1 14 . 1 1 90 90 ILE H H 90 8.689 8.689 8.585 0.104 18364 7993 1 14 . 1 1 91 91 THR N N 91 123.200 123.200 124.833 -1.633 18364 7994 1 14 . 1 1 91 91 THR HA H 91 5.017 5.017 4.546 0.471 18364 7995 1 14 . 1 1 91 91 THR CA C 91 58.555 58.555 62.190 -3.635 18364 7996 1 14 . 1 1 91 91 THR CB C 91 68.702 68.702 69.712 -1.010 18364 7997 1 14 . 1 1 91 91 THR H H 91 8.636 8.636 8.937 -0.301 18364 7998 1 14 . 1 1 92 92 VAL N N 92 127.071 127.071 124.001 3.070 18364 7999 1 14 . 1 1 92 92 VAL HA H 92 5.018 5.018 4.844 0.174 18364 8000 1 14 . 1 1 92 92 VAL CA C 92 57.969 57.969 60.413 -2.444 18364 8001 1 14 . 1 1 92 92 VAL CB C 92 31.323 31.323 31.933 -0.610 18364 8002 1 14 . 1 1 92 92 VAL H H 92 9.162 9.162 8.955 0.207 18364 8003 1 14 . 1 1 93 93 ILE N N 93 127.095 127.095 126.149 0.946 18364 8004 1 14 . 1 1 93 93 ILE HA H 93 4.461 4.461 5.053 -0.592 18364 8005 1 14 . 1 1 93 93 ILE CA C 93 57.972 57.972 59.667 -1.695 18364 8006 1 14 . 1 1 93 93 ILE CB C 93 38.929 38.929 42.082 -3.153 18364 8007 1 14 . 1 1 93 93 ILE H H 93 9.313 9.313 8.613 0.700 18364 8008 1 14 . 1 1 94 94 GLY N N 94 111.893 111.893 109.598 2.295 18364 8009 1 14 . 1 1 94 94 GLY CA C 94 41.781 41.781 44.010 -2.229 18364 8010 1 14 . 1 1 94 94 GLY H H 94 8.577 8.577 8.545 0.032 18364 8011 1 14 . 1 1 95 95 TYR N N 95 123.099 123.099 118.766 4.333 18364 8012 1 14 . 1 1 95 95 TYR HA H 95 5.399 5.399 5.364 0.035 18364 8013 1 14 . 1 1 95 95 TYR CA C 95 54.052 54.052 56.601 -2.549 18364 8014 1 14 . 1 1 95 95 TYR CB C 95 41.285 41.285 43.792 -2.507 18364 8015 1 14 . 1 1 95 95 TYR H H 95 9.640 9.640 8.979 0.661 18364 8016 1 14 . 1 1 96 96 ILE N N 96 116.705 116.705 121.743 -5.038 18364 8017 1 14 . 1 1 96 96 ILE HA H 96 4.208 4.208 4.639 -0.431 18364 8018 1 14 . 1 1 96 96 ILE CA C 96 58.977 58.977 60.762 -1.785 18364 8019 1 14 . 1 1 96 96 ILE CB C 96 37.245 37.245 38.334 -1.089 18364 8020 1 14 . 1 1 96 96 ILE H H 96 8.270 8.270 8.939 -0.669 18364 8021 1 14 . 1 1 97 97 ASP N N 97 130.442 130.442 125.781 4.661 18364 8022 1 14 . 1 1 97 97 ASP HA H 97 4.165 4.165 4.157 0.008 18364 8023 1 14 . 1 1 97 97 ASP CA C 97 53.736 53.736 56.512 -2.776 18364 8024 1 14 . 1 1 97 97 ASP CB C 97 36.870 36.870 38.944 -2.074 18364 8025 1 14 . 1 1 97 97 ASP H H 97 9.849 9.849 8.853 0.996 18364 8026 1 14 . 1 1 98 98 ASP N N 98 114.957 114.957 118.136 -3.179 18364 8027 1 14 . 1 1 98 98 ASP HA H 98 4.694 4.694 4.718 -0.024 18364 8028 1 14 . 1 1 98 98 ASP CB C 98 36.266 36.266 43.780 -7.514 18364 8029 1 14 . 1 1 98 98 ASP H H 98 8.355 8.355 8.274 0.081 18364 8030 1 14 . 1 1 99 99 LYS N N 99 121.680 121.680 119.734 1.946 18364 8031 1 14 . 1 1 99 99 LYS HA H 99 4.590 4.590 4.735 -0.145 18364 8032 1 14 . 1 1 99 99 LYS CA C 99 52.354 52.354 55.197 -2.843 18364 8033 1 14 . 1 1 99 99 LYS CB C 99 30.958 30.958 36.478 -5.520 18364 8034 1 14 . 1 1 99 99 LYS H H 99 8.049 8.049 7.684 0.365 18364 8035 1 14 . 1 1 100 100 GLU N N 100 127.574 127.574 122.229 5.345 18364 8036 1 14 . 1 1 100 100 GLU HA H 100 3.804 3.804 3.973 -0.169 18364 8037 1 14 . 1 1 100 100 GLU CA C 100 54.562 54.562 56.759 -2.197 18364 8038 1 14 . 1 1 100 100 GLU CB C 100 26.808 26.808 29.992 -3.184 18364 8039 1 14 . 1 1 100 100 GLU H H 100 8.839 8.839 8.527 0.312 18364 8040 1 14 . 1 1 101 101 VAL N N 101 120.606 120.606 116.181 4.425 18364 8041 1 14 . 1 1 101 101 VAL HA H 101 4.534 4.534 4.474 0.060 18364 8042 1 14 . 1 1 101 101 VAL CA C 101 58.379 58.379 61.288 -2.909 18364 8043 1 14 . 1 1 101 101 VAL CB C 101 31.223 31.223 33.061 -1.838 18364 8044 1 14 . 1 1 101 101 VAL H H 101 8.997 8.997 8.738 0.259 18364 8045 1 14 . 1 1 102 102 ASN N N 102 118.568 118.568 119.613 -1.045 18364 8046 1 14 . 1 1 102 102 ASN HA H 102 4.782 4.782 4.873 -0.091 18364 8047 1 14 . 1 1 102 102 ASN CA C 102 50.154 50.154 53.479 -3.325 18364 8048 1 14 . 1 1 102 102 ASN CB C 102 38.848 38.848 41.848 -3.000 18364 8049 1 14 . 1 1 102 102 ASN H H 102 7.598 7.598 7.553 0.045 18364 8050 1 14 . 1 1 103 103 ARG N N 103 120.366 120.366 120.395 -0.029 18364 8051 1 14 . 1 1 103 103 ARG HA H 103 5.051 5.051 5.383 -0.332 18364 8052 1 14 . 1 1 103 103 ARG CA C 103 52.900 52.900 54.941 -2.041 18364 8053 1 14 . 1 1 103 103 ARG CB C 103 31.710 31.710 32.687 -0.977 18364 8054 1 14 . 1 1 103 103 ARG H H 103 8.155 8.155 8.369 -0.214 18364 8055 1 14 . 1 1 104 104 LEU N N 104 128.859 128.859 120.037 8.822 18364 8056 1 14 . 1 1 104 104 LEU HA H 104 4.553 4.553 5.011 -0.458 18364 8057 1 14 . 1 1 104 104 LEU CA C 104 51.272 51.272 53.684 -2.412 18364 8058 1 14 . 1 1 104 104 LEU CB C 104 43.549 43.549 46.164 -2.615 18364 8059 1 14 . 1 1 104 104 LEU H H 104 9.271 9.271 8.917 0.354 18364 8060 1 14 . 1 1 105 105 GLU N N 105 125.663 125.663 119.688 5.975 18364 8061 1 14 . 1 1 105 105 GLU HA H 105 5.179 5.179 4.823 0.356 18364 8062 1 14 . 1 1 105 105 GLU CA C 105 51.966 51.966 55.420 -3.454 18364 8063 1 14 . 1 1 105 105 GLU CB C 105 29.358 29.358 32.154 -2.796 18364 8064 1 14 . 1 1 105 105 GLU H H 105 8.346 8.346 8.477 -0.131 18364 8065 1 14 . 1 1 106 106 LYS N N 106 123.659 123.659 124.796 -1.137 18364 8066 1 14 . 1 1 106 106 LYS HA H 106 4.281 4.281 4.421 -0.140 18364 8067 1 14 . 1 1 106 106 LYS CA C 106 51.118 51.118 54.148 -3.030 18364 8068 1 14 . 1 1 106 106 LYS CB C 106 34.761 34.761 36.042 -1.281 18364 8069 1 14 . 1 1 106 106 LYS H H 106 8.526 8.526 8.309 0.217 18364 8070 1 14 . 1 1 107 107 GLU N N 107 121.917 121.917 119.103 2.814 18364 8071 1 14 . 1 1 107 107 GLU HA H 107 4.949 4.949 5.048 -0.099 18364 8072 1 14 . 1 1 107 107 GLU CA C 107 51.404 51.404 53.843 -2.439 18364 8073 1 14 . 1 1 107 107 GLU CB C 107 29.906 29.906 33.154 -3.248 18364 8074 1 14 . 1 1 107 107 GLU H H 107 7.773 7.773 7.914 -0.141 18364 8075 1 14 . 1 1 108 108 TYR N N 108 124.981 124.981 118.770 6.211 18364 8076 1 14 . 1 1 108 108 TYR HA H 108 4.720 4.720 4.782 -0.062 18364 8077 1 14 . 1 1 108 108 TYR CA C 108 54.188 54.188 57.431 -3.243 18364 8078 1 14 . 1 1 108 108 TYR CB C 108 39.101 39.101 42.342 -3.241 18364 8079 1 14 . 1 1 108 108 TYR H H 108 9.031 9.031 8.776 0.255 18364 8080 1 14 . 1 1 109 109 ILE N N 109 121.680 121.680 121.519 0.161 18364 8081 1 14 . 1 1 109 109 ILE HA H 109 5.471 5.471 5.215 0.256 18364 8082 1 14 . 1 1 109 109 ILE CA C 109 56.592 56.592 59.554 -2.962 18364 8083 1 14 . 1 1 109 109 ILE CB C 109 38.728 38.728 41.618 -2.890 18364 8084 1 14 . 1 1 109 109 ILE H H 109 8.475 8.475 8.401 0.074 18364 8085 1 14 . 1 1 110 110 THR N N 110 117.537 117.537 116.092 1.445 18364 8086 1 14 . 1 1 110 110 THR HA H 110 4.521 4.521 4.418 0.103 18364 8087 1 14 . 1 1 110 110 THR CA C 110 59.337 59.337 61.274 -1.937 18364 8088 1 14 . 1 1 110 110 THR CB C 110 67.143 67.143 70.241 -3.098 18364 8089 1 14 . 1 1 110 110 THR H H 110 9.180 9.180 8.618 0.562 18364 8090 1 14 . 1 1 111 111 ASP N N 111 122.428 122.428 123.372 -0.944 18364 8091 1 14 . 1 1 111 111 ASP HA H 111 4.721 4.721 4.755 -0.034 18364 8092 1 14 . 1 1 111 111 ASP CA C 111 50.135 50.135 53.837 -3.702 18364 8093 1 14 . 1 1 111 111 ASP CB C 111 39.613 39.613 40.925 -1.312 18364 8094 1 14 . 1 1 111 111 ASP H H 111 9.342 9.342 8.787 0.555 18364 8095 1 14 . 1 1 112 112 GLY N N 112 110.714 110.714 108.255 2.459 18364 8096 1 14 . 1 1 112 112 GLY CA C 112 43.084 43.084 44.968 -1.884 18364 8097 1 14 . 1 1 112 112 GLY H H 112 8.333 8.333 8.610 -0.277 18364 8098 1 14 . 1 1 113 113 ASN N N 113 119.462 119.462 119.250 0.212 18364 8099 1 14 . 1 1 113 113 ASN HA H 113 4.926 4.926 4.829 0.097 18364 8100 1 14 . 1 1 113 113 ASN CA C 113 49.373 49.373 52.965 -3.592 18364 8101 1 14 . 1 1 113 113 ASN CB C 113 37.377 37.377 38.702 -1.325 18364 8102 1 14 . 1 1 113 113 ASN H H 113 8.210 8.210 8.125 0.085 18364 8103 1 14 . 1 1 114 114 THR N N 114 117.962 117.962 116.137 1.825 18364 8104 1 14 . 1 1 114 114 THR HA H 114 4.136 4.136 4.253 -0.117 18364 8105 1 14 . 1 1 114 114 THR CA C 114 62.066 62.066 62.710 -0.644 18364 8106 1 14 . 1 1 114 114 THR CB C 114 66.489 66.489 68.529 -2.040 18364 8107 1 14 . 1 1 114 114 THR H H 114 8.436 8.436 8.400 0.036 18364 8108 1 14 . 1 1 115 115 LEU N N 115 132.998 132.998 128.683 4.315 18364 8109 1 14 . 1 1 115 115 LEU HA H 115 4.607 4.607 4.318 0.289 18364 8110 1 14 . 1 1 115 115 LEU CA C 115 52.335 52.335 55.836 -3.501 18364 8111 1 14 . 1 1 115 115 LEU CB C 115 41.546 41.546 42.750 -1.204 18364 8112 1 14 . 1 1 115 115 LEU H H 115 8.789 8.789 8.046 0.743 18364 8113 1 14 . 1 1 116 116 ILE N N 116 126.586 126.586 123.574 3.012 18364 8114 1 14 . 1 1 116 116 ILE HA H 116 4.784 4.784 4.843 -0.059 18364 8115 1 14 . 1 1 116 116 ILE CA C 116 58.270 58.270 60.342 -2.072 18364 8116 1 14 . 1 1 116 116 ILE CB C 116 37.909 37.909 41.891 -3.982 18364 8117 1 14 . 1 1 116 116 ILE H H 116 8.637 8.637 8.152 0.485 18364 8118 1 14 . 1 1 117 117 GLU N N 117 127.084 127.084 125.531 1.553 18364 8119 1 14 . 1 1 117 117 GLU HA H 117 4.830 4.830 4.912 -0.082 18364 8120 1 14 . 1 1 117 117 GLU CA C 117 51.847 51.847 54.895 -3.048 18364 8121 1 14 . 1 1 117 117 GLU CB C 117 32.299 32.299 34.957 -2.658 18364 8122 1 14 . 1 1 117 117 GLU H H 117 8.933 8.933 8.968 -0.035 18364 8123 1 14 . 1 1 118 118 THR N N 118 110.826 110.826 111.520 -0.694 18364 8124 1 14 . 1 1 118 118 THR HA H 118 5.190 5.190 5.162 0.028 18364 8125 1 14 . 1 1 118 118 THR CA C 118 57.036 57.036 60.546 -3.510 18364 8126 1 14 . 1 1 118 118 THR CB C 118 69.888 69.888 71.309 -1.421 18364 8127 1 14 . 1 1 118 118 THR H H 118 8.664 8.664 8.410 0.254 18364 8128 1 14 . 1 1 119 119 PHE N N 119 115.915 115.915 119.636 -3.721 18364 8129 1 14 . 1 1 119 119 PHE HA H 119 4.999 4.999 5.033 -0.034 18364 8130 1 14 . 1 1 119 119 PHE CA C 119 53.804 53.804 56.604 -2.800 18364 8131 1 14 . 1 1 119 119 PHE CB C 119 39.787 39.787 41.839 -2.052 18364 8132 1 14 . 1 1 119 119 PHE H H 119 8.087 8.087 8.699 -0.612 18364 8133 1 14 . 1 1 120 120 SER N N 120 114.953 114.953 115.139 -0.186 18364 8134 1 14 . 1 1 120 120 SER HA H 120 5.383 5.383 5.021 0.362 18364 8135 1 14 . 1 1 120 120 SER CA C 120 55.192 55.192 57.624 -2.432 18364 8136 1 14 . 1 1 120 120 SER CB C 120 62.113 62.113 65.789 -3.676 18364 8137 1 14 . 1 1 120 120 SER H H 120 8.627 8.627 8.629 -0.002 18364 8138 1 14 . 1 1 121 121 VAL N N 121 124.122 124.122 125.753 -1.631 18364 8139 1 14 . 1 1 121 121 VAL HA H 121 4.349 4.349 4.500 -0.151 18364 8140 1 14 . 1 1 121 121 VAL CA C 121 59.005 59.005 60.264 -1.259 18364 8141 1 14 . 1 1 121 121 VAL CB C 121 34.127 34.127 33.116 1.011 18364 8142 1 14 . 1 1 121 121 VAL H H 121 8.866 8.866 8.578 0.288 18364 8143 1 14 . 1 1 122 122 SER N N 122 119.703 119.703 123.054 -3.351 18364 8144 1 14 . 1 1 122 122 SER HA H 122 5.598 5.598 5.057 0.541 18364 8145 1 14 . 1 1 122 122 SER CA C 122 53.065 53.065 58.879 -5.814 18364 8146 1 14 . 1 1 122 122 SER CB C 122 63.442 63.442 64.265 -0.823 18364 8147 1 14 . 1 1 122 122 SER H H 122 8.334 8.334 8.591 -0.257 18364 8148 1 14 . 1 1 123 123 THR N N 123 113.276 113.276 106.969 6.307 18364 8149 1 14 . 1 1 123 123 THR HA H 123 4.093 4.093 4.663 -0.570 18364 8150 1 14 . 1 1 123 123 THR CA C 123 60.143 60.143 61.483 -1.340 18364 8151 1 14 . 1 1 123 123 THR CB C 123 64.437 64.437 69.882 -5.446 18364 8152 1 14 . 1 1 123 123 THR H H 123 8.898 8.898 8.447 0.451 18364 8153 1 14 . 1 1 124 124 LYS N N 124 119.191 119.191 120.623 -1.432 18364 8154 1 14 . 1 1 124 124 LYS HA H 124 4.324 4.324 4.665 -0.341 18364 8155 1 14 . 1 1 124 124 LYS CA C 124 53.486 53.486 56.513 -3.027 18364 8156 1 14 . 1 1 124 124 LYS CB C 124 32.376 32.376 35.305 -2.929 18364 8157 1 14 . 1 1 124 124 LYS H H 124 7.569 7.569 8.080 -0.511 18364 8158 1 14 . 1 1 125 125 GLU N N 125 124.243 124.243 125.361 -1.118 18364 8159 1 14 . 1 1 125 125 GLU HA H 125 4.255 4.255 4.760 -0.505 18364 8160 1 14 . 1 1 125 125 GLU CA C 125 53.830 53.830 55.408 -1.578 18364 8161 1 14 . 1 1 125 125 GLU CB C 125 27.674 27.674 31.577 -3.903 18364 8162 1 14 . 1 1 125 125 GLU H H 125 8.359 8.359 8.708 -0.349 18364 8163 1 15 . 1 1 2 2 ALA CA C 2 50.698 50.698 52.107 -1.409 18364 8164 1 15 . 1 1 2 2 ALA CB C 2 16.688 16.688 18.867 -2.179 18364 8165 1 15 . 1 1 3 3 SER N N 3 113.663 113.663 116.288 -2.625 18364 8166 1 15 . 1 1 3 3 SER HA H 3 4.296 4.296 4.633 -0.337 18364 8167 1 15 . 1 1 3 3 SER CA C 3 55.573 55.573 57.606 -2.033 18364 8168 1 15 . 1 1 3 3 SER CB C 3 60.888 60.888 65.168 -4.280 18364 8169 1 15 . 1 1 3 3 SER H H 3 8.301 8.301 8.597 -0.296 18364 8170 1 15 . 1 1 4 4 ASP N N 4 121.532 121.532 120.205 1.327 18364 8171 1 15 . 1 1 4 4 ASP HA H 4 4.394 4.394 4.655 -0.261 18364 8172 1 15 . 1 1 4 4 ASP CA C 4 51.748 51.748 53.394 -1.646 18364 8173 1 15 . 1 1 4 4 ASP CB C 4 38.614 38.614 41.907 -3.293 18364 8174 1 15 . 1 1 4 4 ASP H H 4 7.874 7.874 7.794 0.080 18364 8175 1 15 . 1 1 5 5 PHE N N 5 119.126 119.126 121.453 -2.327 18364 8176 1 15 . 1 1 5 5 PHE HA H 5 4.535 4.535 4.734 -0.199 18364 8177 1 15 . 1 1 5 5 PHE CA C 5 54.589 54.589 57.735 -3.146 18364 8178 1 15 . 1 1 5 5 PHE CB C 5 37.079 37.079 40.305 -3.226 18364 8179 1 15 . 1 1 5 5 PHE H H 5 7.832 7.832 8.250 -0.418 18364 8180 1 15 . 1 1 6 6 GLN N N 6 122.092 122.092 123.789 -1.697 18364 8181 1 15 . 1 1 6 6 GLN HA H 6 4.417 4.417 4.756 -0.339 18364 8182 1 15 . 1 1 6 6 GLN CA C 6 53.128 53.128 55.581 -2.453 18364 8183 1 15 . 1 1 6 6 GLN CB C 6 27.477 27.477 30.652 -3.175 18364 8184 1 15 . 1 1 6 6 GLN H H 6 8.447 8.447 8.638 -0.191 18364 8185 1 15 . 1 1 7 7 THR N N 7 114.717 114.717 113.230 1.487 18364 8186 1 15 . 1 1 7 7 THR HA H 7 5.035 5.035 4.916 0.119 18364 8187 1 15 . 1 1 7 7 THR CA C 7 57.906 57.906 60.204 -2.298 18364 8188 1 15 . 1 1 7 7 THR CB C 7 68.370 68.370 71.626 -3.256 18364 8189 1 15 . 1 1 7 7 THR H H 7 8.145 8.145 8.462 -0.317 18364 8190 1 15 . 1 1 8 8 GLY N N 8 111.628 111.628 109.870 1.758 18364 8191 1 15 . 1 1 8 8 GLY CA C 8 43.774 43.774 44.750 -0.976 18364 8192 1 15 . 1 1 8 8 GLY H H 8 9.234 9.234 8.491 0.743 18364 8193 1 15 . 1 1 9 9 ILE N N 9 119.585 119.585 123.929 -4.344 18364 8194 1 15 . 1 1 9 9 ILE HA H 9 3.934 3.934 4.461 -0.527 18364 8195 1 15 . 1 1 9 9 ILE CA C 9 58.907 58.907 60.233 -1.326 18364 8196 1 15 . 1 1 9 9 ILE CB C 9 35.738 35.738 39.799 -4.061 18364 8197 1 15 . 1 1 9 9 ILE H H 9 8.603 8.603 8.272 0.331 18364 8198 1 15 . 1 1 10 10 HIS N N 10 133.616 133.616 126.368 7.248 18364 8199 1 15 . 1 1 10 10 HIS HA H 10 5.185 5.185 5.421 -0.236 18364 8200 1 15 . 1 1 10 10 HIS CA C 10 53.587 53.587 54.714 -1.127 18364 8201 1 15 . 1 1 10 10 HIS CB C 10 30.817 30.817 32.618 -1.801 18364 8202 1 15 . 1 1 10 10 HIS H H 10 8.599 8.599 8.738 -0.139 18364 8203 1 15 . 1 1 11 11 LYS N N 11 122.949 122.949 119.603 3.346 18364 8204 1 15 . 1 1 11 11 LYS HA H 11 5.236 5.236 5.253 -0.017 18364 8205 1 15 . 1 1 11 11 LYS CA C 11 52.748 52.748 55.336 -2.588 18364 8206 1 15 . 1 1 11 11 LYS CB C 11 35.137 35.137 36.851 -1.714 18364 8207 1 15 . 1 1 11 11 LYS H H 11 8.775 8.775 8.280 0.495 18364 8208 1 15 . 1 1 12 12 ILE N N 12 125.260 125.260 123.005 2.255 18364 8209 1 15 . 1 1 12 12 ILE HA H 12 5.273 5.273 5.232 0.041 18364 8210 1 15 . 1 1 12 12 ILE CA C 12 55.780 55.780 58.876 -3.096 18364 8211 1 15 . 1 1 12 12 ILE CB C 12 38.767 38.767 43.152 -4.385 18364 8212 1 15 . 1 1 12 12 ILE H H 12 8.578 8.578 8.957 -0.379 18364 8213 1 15 . 1 1 13 13 VAL N N 13 126.515 126.515 125.964 0.551 18364 8214 1 15 . 1 1 13 13 VAL HA H 13 4.795 4.795 4.791 0.004 18364 8215 1 15 . 1 1 13 13 VAL CA C 13 58.115 58.115 61.455 -3.340 18364 8216 1 15 . 1 1 13 13 VAL CB C 13 32.948 32.948 34.567 -1.619 18364 8217 1 15 . 1 1 13 13 VAL H H 13 9.052 9.052 9.201 -0.149 18364 8218 1 15 . 1 1 14 14 ILE N N 14 125.803 125.803 126.995 -1.192 18364 8219 1 15 . 1 1 14 14 ILE HA H 14 5.008 5.008 5.183 -0.175 18364 8220 1 15 . 1 1 14 14 ILE CA C 14 57.539 57.539 59.564 -2.025 18364 8221 1 15 . 1 1 14 14 ILE CB C 14 38.656 38.656 42.047 -3.391 18364 8222 1 15 . 1 1 14 14 ILE H H 14 8.974 8.974 9.015 -0.041 18364 8223 1 15 . 1 1 15 15 GLN N N 15 125.773 125.773 119.717 6.056 18364 8224 1 15 . 1 1 15 15 GLN HA H 15 5.433 5.433 5.160 0.273 18364 8225 1 15 . 1 1 15 15 GLN CA C 15 51.002 51.002 54.399 -3.397 18364 8226 1 15 . 1 1 15 15 GLN CB C 15 29.637 29.637 33.733 -4.096 18364 8227 1 15 . 1 1 15 15 GLN H H 15 9.244 9.244 8.687 0.557 18364 8228 1 15 . 1 1 16 16 GLN N N 16 119.832 119.832 117.458 2.374 18364 8229 1 15 . 1 1 16 16 GLN HA H 16 5.741 5.741 5.136 0.605 18364 8230 1 15 . 1 1 16 16 GLN CA C 16 50.572 50.572 54.508 -3.936 18364 8231 1 15 . 1 1 16 16 GLN CB C 16 30.039 30.039 33.074 -3.035 18364 8232 1 15 . 1 1 16 16 GLN H H 16 8.964 8.964 8.709 0.255 18364 8233 1 15 . 1 1 17 17 SER N N 17 115.201 115.201 115.961 -0.760 18364 8234 1 15 . 1 1 17 17 SER HA H 17 4.526 4.526 4.724 -0.198 18364 8235 1 15 . 1 1 17 17 SER CA C 17 54.831 54.831 57.236 -2.405 18364 8236 1 15 . 1 1 17 17 SER CB C 17 62.930 62.930 64.808 -1.878 18364 8237 1 15 . 1 1 17 17 SER H H 17 8.770 8.770 8.093 0.677 18364 8238 1 15 . 1 1 18 18 GLY N N 18 109.321 109.321 110.328 -1.007 18364 8239 1 15 . 1 1 18 18 GLY CA C 18 41.737 41.737 44.692 -2.955 18364 8240 1 15 . 1 1 18 18 GLY H H 18 8.798 8.798 8.404 0.394 18364 8241 1 15 . 1 1 19 19 ASP N N 19 128.121 128.121 124.065 4.056 18364 8242 1 15 . 1 1 19 19 ASP HA H 19 5.071 5.071 4.812 0.259 18364 8243 1 15 . 1 1 19 19 ASP CA C 19 51.251 51.251 53.400 -2.148 18364 8244 1 15 . 1 1 19 19 ASP CB C 19 37.872 37.872 41.615 -3.743 18364 8245 1 15 . 1 1 19 19 ASP H H 19 9.708 9.708 8.082 1.626 18364 8246 1 15 . 1 1 20 20 THR N N 20 111.610 111.610 115.487 -3.877 18364 8247 1 15 . 1 1 20 20 THR HA H 20 3.615 3.615 4.552 -0.937 18364 8248 1 15 . 1 1 20 20 THR CA C 20 63.331 63.331 61.916 1.415 18364 8249 1 15 . 1 1 20 20 THR CB C 20 64.873 64.873 69.851 -4.978 18364 8250 1 15 . 1 1 20 20 THR H H 20 8.136 8.136 8.290 -0.154 18364 8251 1 15 . 1 1 21 21 ASP N N 21 118.304 118.304 121.466 -3.162 18364 8252 1 15 . 1 1 21 21 ASP HA H 21 4.639 4.639 4.700 -0.061 18364 8253 1 15 . 1 1 21 21 ASP CA C 21 52.945 52.945 56.531 -3.586 18364 8254 1 15 . 1 1 21 21 ASP CB C 21 37.785 37.785 41.244 -3.459 18364 8255 1 15 . 1 1 21 21 ASP H H 21 8.566 8.566 7.882 0.684 18364 8256 1 15 . 1 1 22 22 SER N N 22 114.253 114.253 113.515 0.738 18364 8257 1 15 . 1 1 22 22 SER HA H 22 4.384 4.384 4.710 -0.326 18364 8258 1 15 . 1 1 22 22 SER CA C 22 57.170 57.170 58.448 -1.278 18364 8259 1 15 . 1 1 22 22 SER CB C 22 61.441 61.441 63.839 -2.398 18364 8260 1 15 . 1 1 22 22 SER H H 22 8.076 8.076 8.900 -0.825 18364 8261 1 15 . 1 1 23 23 PHE N N 23 119.853 119.853 120.907 -1.054 18364 8262 1 15 . 1 1 23 23 PHE HA H 23 5.010 5.010 4.833 0.177 18364 8263 1 15 . 1 1 23 23 PHE CA C 23 53.272 53.272 56.960 -3.688 18364 8264 1 15 . 1 1 23 23 PHE CB C 23 42.021 42.021 40.877 1.144 18364 8265 1 15 . 1 1 23 23 PHE H H 23 7.611 7.611 7.711 -0.100 18364 8266 1 15 . 1 1 24 24 GLU N N 24 119.255 119.255 125.087 -5.832 18364 8267 1 15 . 1 1 24 24 GLU HA H 24 4.571 4.571 4.547 0.024 18364 8268 1 15 . 1 1 24 24 GLU CA C 24 52.642 52.642 56.026 -3.384 18364 8269 1 15 . 1 1 24 24 GLU CB C 24 28.881 28.881 31.769 -2.888 18364 8270 1 15 . 1 1 24 24 GLU H H 24 8.958 8.958 8.305 0.653 18364 8271 1 15 . 1 1 25 25 VAL N N 25 130.637 130.637 125.213 5.424 18364 8272 1 15 . 1 1 25 25 VAL HA H 25 4.859 4.859 4.743 0.116 18364 8273 1 15 . 1 1 25 25 VAL CA C 25 58.548 58.548 61.678 -3.130 18364 8274 1 15 . 1 1 25 25 VAL CB C 25 30.439 30.439 34.386 -3.947 18364 8275 1 15 . 1 1 25 25 VAL H H 25 9.678 9.678 8.455 1.223 18364 8276 1 15 . 1 1 26 26 SER N N 26 122.555 122.555 122.533 0.022 18364 8277 1 15 . 1 1 26 26 SER HA H 26 5.289 5.289 5.420 -0.131 18364 8278 1 15 . 1 1 26 26 SER CA C 26 54.088 54.088 56.981 -2.893 18364 8279 1 15 . 1 1 26 26 SER CB C 26 62.476 62.476 64.419 -1.943 18364 8280 1 15 . 1 1 26 26 SER H H 26 8.883 8.883 8.396 0.487 18364 8281 1 15 . 1 1 27 27 VAL N N 27 113.682 113.682 118.650 -4.968 18364 8282 1 15 . 1 1 27 27 VAL HA H 27 5.269 5.269 4.801 0.468 18364 8283 1 15 . 1 1 27 27 VAL CA C 27 56.005 56.005 59.222 -3.217 18364 8284 1 15 . 1 1 27 27 VAL CB C 27 34.158 34.158 33.724 0.434 18364 8285 1 15 . 1 1 27 27 VAL H H 27 8.493 8.493 9.144 -0.651 18364 8286 1 15 . 1 1 28 28 SER N N 28 116.852 116.852 118.755 -1.903 18364 8287 1 15 . 1 1 28 28 SER HA H 28 5.410 5.410 4.596 0.814 18364 8288 1 15 . 1 1 28 28 SER CA C 28 54.633 54.633 58.471 -3.838 18364 8289 1 15 . 1 1 28 28 SER CB C 28 62.095 62.095 64.028 -1.933 18364 8290 1 15 . 1 1 28 28 SER H H 28 8.709 8.709 8.214 0.495 18364 8291 1 15 . 1 1 29 29 ILE N N 29 128.765 128.765 124.827 3.938 18364 8292 1 15 . 1 1 29 29 ILE HA H 29 5.224 5.224 4.386 0.838 18364 8293 1 15 . 1 1 29 29 ILE CA C 29 57.247 57.247 60.218 -2.971 18364 8294 1 15 . 1 1 29 29 ILE CB C 29 39.144 39.144 39.954 -0.810 18364 8295 1 15 . 1 1 29 29 ILE H H 29 9.631 9.631 8.635 0.996 18364 8296 1 15 . 1 1 30 30 GLY N N 30 112.478 112.478 113.047 -0.569 18364 8297 1 15 . 1 1 30 30 GLY CA C 30 42.140 42.140 44.245 -2.105 18364 8298 1 15 . 1 1 30 30 GLY H H 30 8.095 8.095 7.649 0.446 18364 8299 1 15 . 1 1 31 31 GLY N N 31 108.502 108.502 104.646 3.856 18364 8300 1 15 . 1 1 31 31 GLY CA C 31 43.201 43.201 44.800 -1.599 18364 8301 1 15 . 1 1 31 31 GLY H H 31 9.755 9.755 8.115 1.640 18364 8302 1 15 . 1 1 32 32 ALA N N 32 122.020 122.020 121.182 0.838 18364 8303 1 15 . 1 1 32 32 ALA HA H 32 4.967 4.967 5.376 -0.409 18364 8304 1 15 . 1 1 32 32 ALA CA C 32 48.540 48.540 50.193 -1.653 18364 8305 1 15 . 1 1 32 32 ALA CB C 32 21.078 21.078 23.130 -2.052 18364 8306 1 15 . 1 1 32 32 ALA H H 32 7.338 7.338 7.764 -0.426 18364 8307 1 15 . 1 1 33 33 ASP N N 33 121.217 121.217 121.259 -0.042 18364 8308 1 15 . 1 1 33 33 ASP HA H 33 3.680 3.680 4.802 -1.122 18364 8309 1 15 . 1 1 33 33 ASP CA C 33 49.520 49.520 52.069 -2.549 18364 8310 1 15 . 1 1 33 33 ASP CB C 33 40.840 40.840 44.291 -3.451 18364 8311 1 15 . 1 1 33 33 ASP H H 33 8.945 8.945 9.067 -0.122 18364 8312 1 15 . 1 1 34 34 LYS N N 34 117.693 117.693 121.765 -4.072 18364 8313 1 15 . 1 1 34 34 LYS HA H 34 4.017 4.017 4.331 -0.314 18364 8314 1 15 . 1 1 34 34 LYS CA C 34 56.700 56.700 57.192 -0.492 18364 8315 1 15 . 1 1 34 34 LYS CB C 34 29.772 29.772 30.935 -1.163 18364 8316 1 15 . 1 1 34 34 LYS H H 34 8.200 8.200 8.470 -0.270 18364 8317 1 15 . 1 1 35 35 GLY N N 35 106.697 106.697 113.024 -6.327 18364 8318 1 15 . 1 1 35 35 GLY CA C 35 42.719 42.719 44.875 -2.156 18364 8319 1 15 . 1 1 35 35 GLY H H 35 8.653 8.653 8.569 0.084 18364 8320 1 15 . 1 1 36 36 GLY N N 36 110.824 110.824 109.427 1.397 18364 8321 1 15 . 1 1 36 36 GLY CA C 36 41.099 41.099 44.573 -3.474 18364 8322 1 15 . 1 1 36 36 GLY H H 36 7.601 7.601 8.876 -1.275 18364 8323 1 15 . 1 1 37 37 PRO HA H 37 4.571 4.571 4.561 0.010 18364 8324 1 15 . 1 1 37 37 PRO CA C 37 60.012 60.012 62.554 -2.542 18364 8325 1 15 . 1 1 37 37 PRO CB C 37 29.470 29.470 32.505 -3.035 18364 8326 1 15 . 1 1 38 38 ALA N N 38 127.841 127.841 126.666 1.175 18364 8327 1 15 . 1 1 38 38 ALA HA H 38 4.127 4.127 4.389 -0.262 18364 8328 1 15 . 1 1 38 38 ALA CA C 38 48.117 48.117 51.404 -3.287 18364 8329 1 15 . 1 1 38 38 ALA CB C 38 16.655 16.655 19.826 -3.171 18364 8330 1 15 . 1 1 38 38 ALA H H 38 7.486 7.486 8.235 -0.749 18364 8331 1 15 . 1 1 39 39 LYS N N 39 121.148 121.148 123.325 -2.177 18364 8332 1 15 . 1 1 39 39 LYS HA H 39 4.115 4.115 4.235 -0.120 18364 8333 1 15 . 1 1 39 39 LYS CA C 39 55.674 55.674 57.215 -1.541 18364 8334 1 15 . 1 1 39 39 LYS CB C 39 31.223 31.223 32.692 -1.469 18364 8335 1 15 . 1 1 39 39 LYS H H 39 8.042 8.042 8.567 -0.525 18364 8336 1 15 . 1 1 40 40 LEU N N 40 118.817 118.817 121.686 -2.869 18364 8337 1 15 . 1 1 40 40 LEU HA H 40 5.122 5.122 5.304 -0.182 18364 8338 1 15 . 1 1 40 40 LEU CA C 40 50.156 50.156 52.777 -2.621 18364 8339 1 15 . 1 1 40 40 LEU CB C 40 42.172 42.172 43.426 -1.254 18364 8340 1 15 . 1 1 40 40 LEU H H 40 7.901 7.901 8.727 -0.826 18364 8341 1 15 . 1 1 41 41 TYR N N 41 117.843 117.843 118.404 -0.561 18364 8342 1 15 . 1 1 41 41 TYR HA H 41 5.303 5.303 5.006 0.297 18364 8343 1 15 . 1 1 41 41 TYR CA C 41 53.394 53.394 56.986 -3.592 18364 8344 1 15 . 1 1 41 41 TYR CB C 41 39.419 39.419 42.361 -2.942 18364 8345 1 15 . 1 1 41 41 TYR H H 41 9.109 9.109 9.380 -0.271 18364 8346 1 15 . 1 1 42 42 ASN N N 42 117.689 117.689 119.767 -2.078 18364 8347 1 15 . 1 1 42 42 ASN HA H 42 4.984 4.984 4.763 0.221 18364 8348 1 15 . 1 1 42 42 ASN CA C 42 48.001 48.001 51.817 -3.816 18364 8349 1 15 . 1 1 42 42 ASN CB C 42 36.514 36.514 39.424 -2.910 18364 8350 1 15 . 1 1 42 42 ASN H H 42 8.239 8.239 8.890 -0.651 18364 8351 1 15 . 1 1 43 43 ASP N N 43 116.760 116.760 119.018 -2.258 18364 8352 1 15 . 1 1 43 43 ASP HA H 43 4.170 4.170 4.581 -0.411 18364 8353 1 15 . 1 1 43 43 ASP CA C 43 53.123 53.123 55.607 -2.484 18364 8354 1 15 . 1 1 43 43 ASP CB C 43 37.355 37.355 40.168 -2.813 18364 8355 1 15 . 1 1 43 43 ASP H H 43 8.650 8.650 8.721 -0.071 18364 8356 1 15 . 1 1 44 44 LYS N N 44 118.108 118.108 117.234 0.874 18364 8357 1 15 . 1 1 44 44 LYS HA H 44 4.359 4.359 4.495 -0.136 18364 8358 1 15 . 1 1 44 44 LYS CA C 44 52.676 52.676 56.160 -3.484 18364 8359 1 15 . 1 1 44 44 LYS CB C 44 30.170 30.170 33.813 -3.643 18364 8360 1 15 . 1 1 44 44 LYS H H 44 7.505 7.505 8.244 -0.739 18364 8361 1 15 . 1 1 45 45 GLY N N 45 108.163 108.163 108.545 -0.382 18364 8362 1 15 . 1 1 45 45 GLY CA C 45 42.988 42.988 45.273 -2.285 18364 8363 1 15 . 1 1 45 45 GLY H H 45 8.117 8.117 8.148 -0.031 18364 8364 1 15 . 1 1 46 46 GLU N N 46 120.173 120.173 120.805 -0.632 18364 8365 1 15 . 1 1 46 46 GLU HA H 46 4.345 4.345 4.747 -0.402 18364 8366 1 15 . 1 1 46 46 GLU CA C 46 52.409 52.409 55.147 -2.738 18364 8367 1 15 . 1 1 46 46 GLU CB C 46 27.408 27.408 31.543 -4.135 18364 8368 1 15 . 1 1 46 46 GLU H H 46 7.884 7.884 8.651 -0.767 18364 8369 1 15 . 1 1 47 47 TYR N N 47 123.803 123.803 126.042 -2.239 18364 8370 1 15 . 1 1 47 47 TYR HA H 47 4.351 4.351 3.899 0.452 18364 8371 1 15 . 1 1 47 47 TYR CA C 47 54.317 54.317 58.886 -4.569 18364 8372 1 15 . 1 1 47 47 TYR CB C 47 35.858 35.858 38.607 -2.749 18364 8373 1 15 . 1 1 47 47 TYR H H 47 8.710 8.710 8.958 -0.248 18364 8374 1 15 . 1 1 48 48 ILE N N 48 123.458 123.458 122.418 1.040 18364 8375 1 15 . 1 1 48 48 ILE HA H 48 4.173 4.173 4.311 -0.138 18364 8376 1 15 . 1 1 48 48 ILE CA C 48 58.314 58.314 60.495 -2.180 18364 8377 1 15 . 1 1 48 48 ILE CB C 48 36.129 36.129 38.861 -2.732 18364 8378 1 15 . 1 1 48 48 ILE H H 48 8.416 8.416 8.111 0.305 18364 8379 1 15 . 1 1 49 49 GLY N N 49 107.257 107.257 109.484 -2.227 18364 8380 1 15 . 1 1 49 49 GLY CA C 49 41.367 41.367 44.899 -3.532 18364 8381 1 15 . 1 1 49 49 GLY H H 49 5.472 5.472 6.426 -0.954 18364 8382 1 15 . 1 1 50 50 ASP N N 50 116.887 116.887 116.788 0.099 18364 8383 1 15 . 1 1 50 50 ASP HA H 50 5.043 5.043 4.992 0.051 18364 8384 1 15 . 1 1 50 50 ASP CA C 50 50.588 50.588 53.584 -2.996 18364 8385 1 15 . 1 1 50 50 ASP CB C 50 37.448 37.448 42.101 -4.653 18364 8386 1 15 . 1 1 50 50 ASP H H 50 8.234 8.234 8.537 -0.303 18364 8387 1 15 . 1 1 51 51 SER N N 51 112.664 112.664 112.881 -0.217 18364 8388 1 15 . 1 1 51 51 SER HA H 51 4.439 4.439 4.782 -0.343 18364 8389 1 15 . 1 1 51 51 SER CA C 51 55.489 55.489 57.841 -2.352 18364 8390 1 15 . 1 1 51 51 SER CB C 51 61.559 61.559 65.407 -3.848 18364 8391 1 15 . 1 1 51 51 SER H H 51 7.689 7.689 7.369 0.320 18364 8392 1 15 . 1 1 52 52 TYR N N 52 122.672 122.672 121.973 0.699 18364 8393 1 15 . 1 1 52 52 TYR HA H 52 4.732 4.732 4.838 -0.106 18364 8394 1 15 . 1 1 52 52 TYR CA C 52 55.168 55.168 57.094 -1.926 18364 8395 1 15 . 1 1 52 52 TYR CB C 52 38.599 38.599 39.361 -0.762 18364 8396 1 15 . 1 1 52 52 TYR H H 52 8.231 8.231 7.798 0.433 18364 8397 1 15 . 1 1 53 53 SER N N 53 123.803 123.803 116.434 7.369 18364 8398 1 15 . 1 1 53 53 SER HA H 53 5.429 5.429 5.541 -0.112 18364 8399 1 15 . 1 1 53 53 SER CA C 53 53.508 53.508 56.762 -3.254 18364 8400 1 15 . 1 1 53 53 SER CB C 53 61.674 61.674 66.176 -4.502 18364 8401 1 15 . 1 1 53 53 SER H H 53 8.008 8.008 8.670 -0.662 18364 8402 1 15 . 1 1 54 54 ALA N N 54 125.516 125.516 121.948 3.568 18364 8403 1 15 . 1 1 54 54 ALA HA H 54 4.289 4.289 4.736 -0.447 18364 8404 1 15 . 1 1 54 54 ALA CA C 54 49.097 49.097 51.325 -2.228 18364 8405 1 15 . 1 1 54 54 ALA CB C 54 20.259 20.259 22.349 -2.090 18364 8406 1 15 . 1 1 54 54 ALA H H 54 8.089 8.089 9.004 -0.915 18364 8407 1 15 . 1 1 55 55 GLN N N 55 118.838 118.838 119.521 -0.683 18364 8408 1 15 . 1 1 55 55 GLN HA H 55 4.975 4.975 5.426 -0.451 18364 8409 1 15 . 1 1 55 55 GLN CA C 55 52.306 52.306 53.397 -1.091 18364 8410 1 15 . 1 1 55 55 GLN CB C 55 26.138 26.138 31.806 -5.668 18364 8411 1 15 . 1 1 55 55 GLN H H 55 8.100 8.100 8.562 -0.462 18364 8412 1 15 . 1 1 56 56 ILE N N 56 124.748 124.748 127.868 -3.120 18364 8413 1 15 . 1 1 56 56 ILE HA H 56 4.246 4.246 4.141 0.105 18364 8414 1 15 . 1 1 56 56 ILE CA C 56 57.529 57.529 59.936 -2.407 18364 8415 1 15 . 1 1 56 56 ILE CB C 56 34.915 34.915 34.918 -0.003 18364 8416 1 15 . 1 1 56 56 ILE H H 56 8.910 8.910 8.738 0.172 18364 8417 1 15 . 1 1 57 57 ARG N N 57 127.183 127.183 121.915 5.268 18364 8418 1 15 . 1 1 57 57 ARG HA H 57 4.777 4.777 4.468 0.309 18364 8419 1 15 . 1 1 57 57 ARG CA C 57 52.455 52.455 54.958 -2.503 18364 8420 1 15 . 1 1 57 57 ARG CB C 57 28.839 28.839 29.844 -1.005 18364 8421 1 15 . 1 1 57 57 ARG H H 57 8.979 8.979 7.839 1.140 18364 8422 1 15 . 1 1 58 58 THR N N 58 109.995 109.995 108.454 1.541 18364 8423 1 15 . 1 1 58 58 THR HA H 58 4.529 4.529 4.548 -0.019 18364 8424 1 15 . 1 1 58 58 THR CA C 58 57.124 57.124 59.529 -2.405 18364 8425 1 15 . 1 1 58 58 THR CB C 58 68.143 68.143 72.242 -4.099 18364 8426 1 15 . 1 1 58 58 THR H H 58 7.150 7.150 7.419 -0.269 18364 8427 1 15 . 1 1 59 59 ALA N N 59 123.143 123.143 123.086 0.057 18364 8428 1 15 . 1 1 59 59 ALA HA H 59 4.167 4.167 4.157 0.010 18364 8429 1 15 . 1 1 59 59 ALA CA C 59 52.603 52.603 54.353 -1.750 18364 8430 1 15 . 1 1 59 59 ALA CB C 59 16.910 16.910 18.778 -1.868 18364 8431 1 15 . 1 1 59 59 ALA H H 59 8.531 8.531 8.570 -0.039 18364 8432 1 15 . 1 1 60 60 THR N N 60 105.988 105.988 106.287 -0.299 18364 8433 1 15 . 1 1 60 60 THR HA H 60 5.471 5.471 5.290 0.181 18364 8434 1 15 . 1 1 60 60 THR CA C 60 56.904 56.904 60.510 -3.606 18364 8435 1 15 . 1 1 60 60 THR CB C 60 69.111 69.111 71.984 -2.873 18364 8436 1 15 . 1 1 60 60 THR H H 60 7.521 7.521 7.501 0.020 18364 8437 1 15 . 1 1 61 61 MET N N 61 124.706 124.706 118.726 5.980 18364 8438 1 15 . 1 1 61 61 MET HA H 61 4.641 4.641 4.880 -0.239 18364 8439 1 15 . 1 1 61 61 MET CA C 61 52.883 52.883 55.295 -2.412 18364 8440 1 15 . 1 1 61 61 MET CB C 61 32.345 32.345 37.531 -5.186 18364 8441 1 15 . 1 1 61 61 MET H H 61 8.758 8.758 9.211 -0.453 18364 8442 1 15 . 1 1 62 62 SER N N 62 117.004 117.004 115.412 1.592 18364 8443 1 15 . 1 1 62 62 SER HA H 62 5.551 5.551 5.150 0.401 18364 8444 1 15 . 1 1 62 62 SER CA C 62 54.255 54.255 57.904 -3.649 18364 8445 1 15 . 1 1 62 62 SER CB C 62 64.130 64.130 65.812 -1.683 18364 8446 1 15 . 1 1 62 62 SER H H 62 8.164 8.164 8.596 -0.432 18364 8447 1 15 . 1 1 63 63 CYS N N 63 120.270 120.270 120.241 0.029 18364 8448 1 15 . 1 1 63 63 CYS HA H 63 5.075 5.075 5.184 -0.109 18364 8449 1 15 . 1 1 63 63 CYS CA C 63 54.676 54.676 57.420 -2.744 18364 8450 1 15 . 1 1 63 63 CYS CB C 63 28.679 28.679 32.010 -3.331 18364 8451 1 15 . 1 1 63 63 CYS H H 63 8.537 8.537 8.539 -0.002 18364 8452 1 15 . 1 1 64 64 CYS N N 64 120.868 120.868 119.010 1.858 18364 8453 1 15 . 1 1 64 64 CYS HA H 64 5.918 5.918 5.344 0.574 18364 8454 1 15 . 1 1 64 64 CYS CA C 64 53.204 53.204 56.441 -3.237 18364 8455 1 15 . 1 1 64 64 CYS CB C 64 30.216 30.216 31.938 -1.722 18364 8456 1 15 . 1 1 64 64 CYS H H 64 9.307 9.307 8.739 0.568 18364 8457 1 15 . 1 1 65 65 THR N N 65 109.830 109.830 111.507 -1.677 18364 8458 1 15 . 1 1 65 65 THR HA H 65 5.426 5.426 5.360 0.066 18364 8459 1 15 . 1 1 65 65 THR CA C 65 58.465 58.465 60.051 -1.586 18364 8460 1 15 . 1 1 65 65 THR CB C 65 69.665 69.665 71.898 -2.233 18364 8461 1 15 . 1 1 65 65 THR H H 65 8.447 8.447 8.175 0.272 18364 8462 1 15 . 1 1 66 66 ASN N N 66 114.459 114.459 116.692 -2.233 18364 8463 1 15 . 1 1 66 66 ASN HA H 66 4.656 4.656 4.709 -0.053 18364 8464 1 15 . 1 1 66 66 ASN CA C 66 49.879 49.879 51.925 -2.046 18364 8465 1 15 . 1 1 66 66 ASN CB C 66 36.267 36.267 40.314 -4.047 18364 8466 1 15 . 1 1 66 66 ASN H H 66 9.300 9.300 8.326 0.974 18364 8467 1 15 . 1 1 67 67 GLY N N 67 103.647 103.647 104.745 -1.098 18364 8468 1 15 . 1 1 67 67 GLY CA C 67 43.796 43.796 45.852 -2.056 18364 8469 1 15 . 1 1 67 67 GLY H H 67 8.237 8.237 8.626 -0.389 18364 8470 1 15 . 1 1 69 69 ALA N N 69 121.911 121.911 123.568 -1.657 18364 8471 1 15 . 1 1 69 69 ALA HA H 69 4.244 4.244 4.546 -0.302 18364 8472 1 15 . 1 1 69 69 ALA CA C 69 49.758 49.758 51.613 -1.855 18364 8473 1 15 . 1 1 69 69 ALA CB C 69 17.376 17.376 21.273 -3.897 18364 8474 1 15 . 1 1 69 69 ALA H H 69 7.677 7.677 7.373 0.304 18364 8475 1 15 . 1 1 70 70 PHE N N 70 114.118 114.118 116.344 -2.226 18364 8476 1 15 . 1 1 70 70 PHE HA H 70 4.965 4.965 4.981 -0.016 18364 8477 1 15 . 1 1 70 70 PHE CA C 70 53.129 53.129 58.186 -5.057 18364 8478 1 15 . 1 1 70 70 PHE CB C 70 37.917 37.917 43.157 -5.240 18364 8479 1 15 . 1 1 70 70 PHE H H 70 8.549 8.549 8.606 -0.057 18364 8480 1 15 . 1 1 71 71 PHE N N 71 110.252 110.252 114.951 -4.699 18364 8481 1 15 . 1 1 71 71 PHE HA H 71 4.247 4.247 4.856 -0.609 18364 8482 1 15 . 1 1 71 71 PHE CA C 71 54.475 54.475 56.500 -2.025 18364 8483 1 15 . 1 1 71 71 PHE CB C 71 38.123 38.123 41.295 -3.172 18364 8484 1 15 . 1 1 71 71 PHE H H 71 6.617 6.617 7.274 -0.657 18364 8485 1 15 . 1 1 72 72 MET N N 72 118.637 118.637 118.176 0.461 18364 8486 1 15 . 1 1 72 72 MET HA H 72 4.800 4.800 4.754 0.046 18364 8487 1 15 . 1 1 72 72 MET CA C 72 53.108 53.108 54.731 -1.623 18364 8488 1 15 . 1 1 72 72 MET CB C 72 35.826 35.826 36.785 -0.959 18364 8489 1 15 . 1 1 72 72 MET H H 72 8.162 8.162 8.472 -0.310 18364 8490 1 15 . 1 1 73 73 THR N N 73 117.278 117.278 116.400 0.878 18364 8491 1 15 . 1 1 73 73 THR HA H 73 5.018 5.018 5.203 -0.185 18364 8492 1 15 . 1 1 73 73 THR CA C 73 58.316 58.316 61.438 -3.123 18364 8493 1 15 . 1 1 73 73 THR CB C 73 69.118 69.118 71.625 -2.507 18364 8494 1 15 . 1 1 73 73 THR H H 73 9.220 9.220 8.448 0.772 18364 8495 1 15 . 1 1 74 74 CYS N N 74 124.101 124.101 126.688 -2.587 18364 8496 1 15 . 1 1 74 74 CYS HA H 74 5.076 5.076 4.909 0.167 18364 8497 1 15 . 1 1 74 74 CYS CA C 74 54.219 54.219 57.158 -2.939 18364 8498 1 15 . 1 1 74 74 CYS CB C 74 27.012 27.012 28.224 -1.212 18364 8499 1 15 . 1 1 74 74 CYS H H 74 8.958 8.958 8.696 0.262 18364 8500 1 15 . 1 1 75 75 ALA N N 75 132.901 132.901 123.217 9.684 18364 8501 1 15 . 1 1 75 75 ALA HA H 75 4.975 4.975 4.425 0.550 18364 8502 1 15 . 1 1 75 75 ALA CA C 75 47.826 47.826 52.010 -4.184 18364 8503 1 15 . 1 1 75 75 ALA CB C 75 18.111 18.111 20.034 -1.923 18364 8504 1 15 . 1 1 75 75 ALA H H 75 8.834 8.834 7.482 1.352 18364 8505 1 15 . 1 1 76 76 GLY N N 76 110.691 110.691 107.510 3.181 18364 8506 1 15 . 1 1 76 76 GLY CA C 76 41.784 41.784 44.834 -3.050 18364 8507 1 15 . 1 1 76 76 GLY H H 76 8.265 8.265 7.535 0.730 18364 8508 1 15 . 1 1 77 77 SER N N 77 115.145 115.145 113.828 1.317 18364 8509 1 15 . 1 1 77 77 SER HA H 77 4.980 4.980 5.450 -0.470 18364 8510 1 15 . 1 1 77 77 SER CA C 77 54.022 54.022 56.521 -2.499 18364 8511 1 15 . 1 1 77 77 SER CB C 77 62.987 62.987 66.936 -3.950 18364 8512 1 15 . 1 1 77 77 SER H H 77 8.723 8.723 8.657 0.066 18364 8513 1 15 . 1 1 78 78 VAL N N 78 124.775 124.775 119.042 5.733 18364 8514 1 15 . 1 1 78 78 VAL HA H 78 4.634 4.634 5.012 -0.378 18364 8515 1 15 . 1 1 78 78 VAL CA C 78 58.437 58.437 60.392 -1.955 18364 8516 1 15 . 1 1 78 78 VAL CB C 78 32.177 32.177 35.396 -3.219 18364 8517 1 15 . 1 1 78 78 VAL H H 78 8.963 8.963 8.448 0.515 18364 8518 1 15 . 1 1 79 79 SER N N 79 118.951 118.951 118.208 0.743 18364 8519 1 15 . 1 1 79 79 SER HA H 79 5.619 5.619 5.128 0.491 18364 8520 1 15 . 1 1 79 79 SER CA C 79 53.011 53.011 57.662 -4.651 18364 8521 1 15 . 1 1 79 79 SER CB C 79 64.197 64.197 66.105 -1.908 18364 8522 1 15 . 1 1 79 79 SER H H 79 8.661 8.661 8.736 -0.075 18364 8523 1 15 . 1 1 80 80 SER N N 80 114.750 114.750 116.027 -1.277 18364 8524 1 15 . 1 1 80 80 SER HA H 80 4.439 4.439 4.701 -0.262 18364 8525 1 15 . 1 1 80 80 SER CA C 80 56.198 56.198 57.231 -1.033 18364 8526 1 15 . 1 1 80 80 SER CB C 80 63.490 63.490 65.252 -1.762 18364 8527 1 15 . 1 1 80 80 SER H H 80 8.563 8.563 8.323 0.240 18364 8528 1 15 . 1 1 81 81 ILE N N 81 120.003 120.003 118.196 1.807 18364 8529 1 15 . 1 1 81 81 ILE HA H 81 4.576 4.576 4.498 0.078 18364 8530 1 15 . 1 1 81 81 ILE CA C 81 57.951 57.951 60.144 -2.193 18364 8531 1 15 . 1 1 81 81 ILE CB C 81 36.011 36.011 38.197 -2.186 18364 8532 1 15 . 1 1 81 81 ILE H H 81 8.366 8.366 8.599 -0.233 18364 8533 1 15 . 1 1 82 82 SER N N 82 119.139 119.139 117.630 1.509 18364 8534 1 15 . 1 1 82 82 SER HA H 82 4.158 4.158 4.412 -0.254 18364 8535 1 15 . 1 1 82 82 SER CA C 82 56.910 56.910 58.141 -1.231 18364 8536 1 15 . 1 1 82 82 SER CB C 82 62.055 62.055 64.726 -2.671 18364 8537 1 15 . 1 1 82 82 SER H H 82 8.204 8.204 7.618 0.586 18364 8538 1 15 . 1 1 83 83 GLU N N 83 118.350 118.350 119.730 -1.380 18364 8539 1 15 . 1 1 83 83 GLU HA H 83 4.133 4.133 4.429 -0.296 18364 8540 1 15 . 1 1 83 83 GLU CA C 83 53.267 53.267 55.657 -2.390 18364 8541 1 15 . 1 1 83 83 GLU CB C 83 27.763 27.763 30.700 -2.937 18364 8542 1 15 . 1 1 83 83 GLU H H 83 8.381 8.381 8.550 -0.169 18364 8543 1 15 . 1 1 84 84 ALA N N 84 121.665 121.665 122.762 -1.097 18364 8544 1 15 . 1 1 84 84 ALA HA H 84 3.542 3.542 4.047 -0.505 18364 8545 1 15 . 1 1 84 84 ALA CA C 84 50.621 50.621 53.659 -3.038 18364 8546 1 15 . 1 1 84 84 ALA CB C 84 16.540 16.540 18.808 -2.268 18364 8547 1 15 . 1 1 84 84 ALA H H 84 8.482 8.482 8.453 0.029 18364 8548 1 15 . 1 1 85 85 GLY N N 85 108.356 108.356 106.974 1.382 18364 8549 1 15 . 1 1 85 85 GLY CA C 85 42.955 42.955 45.090 -2.135 18364 8550 1 15 . 1 1 85 85 GLY H H 85 8.078 8.078 8.747 -0.669 18364 8551 1 15 . 1 1 86 86 LYS N N 86 121.491 121.491 123.532 -2.041 18364 8552 1 15 . 1 1 86 86 LYS HA H 86 4.638 4.638 4.323 0.315 18364 8553 1 15 . 1 1 86 86 LYS CA C 86 51.073 51.073 55.631 -4.558 18364 8554 1 15 . 1 1 86 86 LYS CB C 86 29.750 29.750 32.013 -2.263 18364 8555 1 15 . 1 1 86 86 LYS H H 86 8.225 8.225 8.300 -0.075 18364 8556 1 15 . 1 1 87 87 ARG N N 87 121.874 121.874 122.815 -0.941 18364 8557 1 15 . 1 1 87 87 ARG HA H 87 5.673 5.673 4.833 0.840 18364 8558 1 15 . 1 1 87 87 ARG CA C 87 52.139 52.139 55.296 -3.157 18364 8559 1 15 . 1 1 87 87 ARG CB C 87 32.163 32.163 32.493 -0.330 18364 8560 1 15 . 1 1 87 87 ARG H H 87 9.979 9.979 8.595 1.384 18364 8561 1 15 . 1 1 88 88 LEU N N 88 125.264 125.264 118.621 6.643 18364 8562 1 15 . 1 1 88 88 LEU HA H 88 4.562 4.562 5.064 -0.502 18364 8563 1 15 . 1 1 88 88 LEU CA C 88 50.284 50.284 54.729 -4.445 18364 8564 1 15 . 1 1 88 88 LEU CB C 88 42.309 42.309 46.782 -4.473 18364 8565 1 15 . 1 1 88 88 LEU H H 88 8.756 8.756 8.250 0.506 18364 8566 1 15 . 1 1 89 89 HIS N N 89 125.453 125.453 124.040 1.413 18364 8567 1 15 . 1 1 89 89 HIS HA H 89 5.188 5.188 5.046 0.142 18364 8568 1 15 . 1 1 89 89 HIS CA C 89 51.389 51.389 54.986 -3.597 18364 8569 1 15 . 1 1 89 89 HIS CB C 89 27.731 27.731 32.232 -4.501 18364 8570 1 15 . 1 1 89 89 HIS H H 89 8.910 8.910 9.019 -0.109 18364 8571 1 15 . 1 1 90 90 ILE N N 90 126.486 126.486 128.131 -1.645 18364 8572 1 15 . 1 1 90 90 ILE HA H 90 5.020 5.020 4.670 0.350 18364 8573 1 15 . 1 1 90 90 ILE CA C 90 55.642 55.642 60.723 -5.081 18364 8574 1 15 . 1 1 90 90 ILE CB C 90 38.696 38.696 40.188 -1.492 18364 8575 1 15 . 1 1 90 90 ILE H H 90 8.689 8.689 7.899 0.790 18364 8576 1 15 . 1 1 91 91 THR N N 91 123.200 123.200 121.974 1.226 18364 8577 1 15 . 1 1 91 91 THR HA H 91 5.017 5.017 4.783 0.234 18364 8578 1 15 . 1 1 91 91 THR CA C 91 58.555 58.555 61.295 -2.740 18364 8579 1 15 . 1 1 91 91 THR CB C 91 68.702 68.702 71.023 -2.321 18364 8580 1 15 . 1 1 91 91 THR H H 91 8.636 8.636 8.230 0.406 18364 8581 1 15 . 1 1 92 92 VAL N N 92 127.071 127.071 121.247 5.824 18364 8582 1 15 . 1 1 92 92 VAL HA H 92 5.018 5.018 4.936 0.082 18364 8583 1 15 . 1 1 92 92 VAL CA C 92 57.969 57.969 61.372 -3.403 18364 8584 1 15 . 1 1 92 92 VAL CB C 92 31.323 31.323 33.057 -1.734 18364 8585 1 15 . 1 1 92 92 VAL H H 92 9.162 9.162 9.180 -0.018 18364 8586 1 15 . 1 1 93 93 ILE N N 93 127.095 127.095 126.525 0.570 18364 8587 1 15 . 1 1 93 93 ILE HA H 93 4.461 4.461 5.146 -0.685 18364 8588 1 15 . 1 1 93 93 ILE CA C 93 57.972 57.972 59.464 -1.492 18364 8589 1 15 . 1 1 93 93 ILE CB C 93 38.929 38.929 41.882 -2.953 18364 8590 1 15 . 1 1 93 93 ILE H H 93 9.313 9.313 9.131 0.182 18364 8591 1 15 . 1 1 94 94 GLY N N 94 111.893 111.893 112.136 -0.243 18364 8592 1 15 . 1 1 94 94 GLY CA C 94 41.781 41.781 44.178 -2.397 18364 8593 1 15 . 1 1 94 94 GLY H H 94 8.577 8.577 8.878 -0.301 18364 8594 1 15 . 1 1 95 95 TYR N N 95 123.099 123.099 120.315 2.784 18364 8595 1 15 . 1 1 95 95 TYR HA H 95 5.399 5.399 5.437 -0.038 18364 8596 1 15 . 1 1 95 95 TYR CA C 95 54.052 54.052 56.454 -2.402 18364 8597 1 15 . 1 1 95 95 TYR CB C 95 41.285 41.285 43.677 -2.392 18364 8598 1 15 . 1 1 95 95 TYR H H 95 9.640 9.640 9.178 0.462 18364 8599 1 15 . 1 1 96 96 ILE N N 96 116.705 116.705 119.891 -3.186 18364 8600 1 15 . 1 1 96 96 ILE HA H 96 4.208 4.208 4.416 -0.208 18364 8601 1 15 . 1 1 96 96 ILE CA C 96 58.977 58.977 60.487 -1.510 18364 8602 1 15 . 1 1 96 96 ILE CB C 96 37.245 37.245 40.818 -3.572 18364 8603 1 15 . 1 1 96 96 ILE H H 96 8.270 8.270 8.834 -0.564 18364 8604 1 15 . 1 1 97 97 ASP N N 97 130.442 130.442 127.979 2.463 18364 8605 1 15 . 1 1 97 97 ASP HA H 97 4.165 4.165 4.238 -0.073 18364 8606 1 15 . 1 1 97 97 ASP CA C 97 53.736 53.736 57.269 -3.533 18364 8607 1 15 . 1 1 97 97 ASP CB C 97 36.870 36.870 40.382 -3.512 18364 8608 1 15 . 1 1 97 97 ASP H H 97 9.849 9.849 9.021 0.828 18364 8609 1 15 . 1 1 98 98 ASP N N 98 114.957 114.957 117.677 -2.720 18364 8610 1 15 . 1 1 98 98 ASP HA H 98 4.694 4.694 4.746 -0.052 18364 8611 1 15 . 1 1 98 98 ASP CB C 98 36.266 36.266 42.669 -6.403 18364 8612 1 15 . 1 1 98 98 ASP H H 98 8.355 8.355 8.316 0.039 18364 8613 1 15 . 1 1 99 99 LYS N N 99 121.680 121.680 120.807 0.873 18364 8614 1 15 . 1 1 99 99 LYS HA H 99 4.590 4.590 4.743 -0.153 18364 8615 1 15 . 1 1 99 99 LYS CA C 99 52.354 52.354 55.166 -2.812 18364 8616 1 15 . 1 1 99 99 LYS CB C 99 30.958 30.958 36.004 -5.046 18364 8617 1 15 . 1 1 99 99 LYS H H 99 8.049 8.049 8.208 -0.159 18364 8618 1 15 . 1 1 100 100 GLU N N 100 127.574 127.574 124.869 2.705 18364 8619 1 15 . 1 1 100 100 GLU HA H 100 3.804 3.804 3.958 -0.154 18364 8620 1 15 . 1 1 100 100 GLU CA C 100 54.562 54.562 56.512 -1.950 18364 8621 1 15 . 1 1 100 100 GLU CB C 100 26.808 26.808 29.604 -2.796 18364 8622 1 15 . 1 1 100 100 GLU H H 100 8.839 8.839 8.794 0.045 18364 8623 1 15 . 1 1 101 101 VAL N N 101 120.606 120.606 120.683 -0.077 18364 8624 1 15 . 1 1 101 101 VAL HA H 101 4.534 4.534 4.478 0.056 18364 8625 1 15 . 1 1 101 101 VAL CA C 101 58.379 58.379 61.602 -3.223 18364 8626 1 15 . 1 1 101 101 VAL CB C 101 31.223 31.223 33.555 -2.332 18364 8627 1 15 . 1 1 101 101 VAL H H 101 8.997 8.997 8.752 0.245 18364 8628 1 15 . 1 1 102 102 ASN N N 102 118.568 118.568 120.610 -2.042 18364 8629 1 15 . 1 1 102 102 ASN HA H 102 4.782 4.782 4.930 -0.148 18364 8630 1 15 . 1 1 102 102 ASN CA C 102 50.154 50.154 52.936 -2.782 18364 8631 1 15 . 1 1 102 102 ASN CB C 102 38.848 38.848 41.912 -3.064 18364 8632 1 15 . 1 1 102 102 ASN H H 102 7.598 7.598 7.581 0.017 18364 8633 1 15 . 1 1 103 103 ARG N N 103 120.366 120.366 121.723 -1.357 18364 8634 1 15 . 1 1 103 103 ARG HA H 103 5.051 5.051 5.305 -0.254 18364 8635 1 15 . 1 1 103 103 ARG CA C 103 52.900 52.900 54.852 -1.952 18364 8636 1 15 . 1 1 103 103 ARG CB C 103 31.710 31.710 32.361 -0.651 18364 8637 1 15 . 1 1 103 103 ARG H H 103 8.155 8.155 8.393 -0.238 18364 8638 1 15 . 1 1 104 104 LEU N N 104 128.859 128.859 121.599 7.260 18364 8639 1 15 . 1 1 104 104 LEU HA H 104 4.553 4.553 5.112 -0.559 18364 8640 1 15 . 1 1 104 104 LEU CA C 104 51.272 51.272 53.287 -2.015 18364 8641 1 15 . 1 1 104 104 LEU CB C 104 43.549 43.549 45.963 -2.414 18364 8642 1 15 . 1 1 104 104 LEU H H 104 9.271 9.271 8.822 0.449 18364 8643 1 15 . 1 1 105 105 GLU N N 105 125.663 125.663 116.257 9.406 18364 8644 1 15 . 1 1 105 105 GLU HA H 105 5.179 5.179 4.944 0.235 18364 8645 1 15 . 1 1 105 105 GLU CA C 105 51.966 51.966 54.977 -3.011 18364 8646 1 15 . 1 1 105 105 GLU CB C 105 29.358 29.358 32.657 -3.299 18364 8647 1 15 . 1 1 105 105 GLU H H 105 8.346 8.346 8.279 0.067 18364 8648 1 15 . 1 1 106 106 LYS N N 106 123.659 123.659 117.946 5.713 18364 8649 1 15 . 1 1 106 106 LYS HA H 106 4.281 4.281 4.427 -0.146 18364 8650 1 15 . 1 1 106 106 LYS CA C 106 51.118 51.118 54.593 -3.475 18364 8651 1 15 . 1 1 106 106 LYS CB C 106 34.761 34.761 36.571 -1.810 18364 8652 1 15 . 1 1 106 106 LYS H H 106 8.526 8.526 8.299 0.227 18364 8653 1 15 . 1 1 107 107 GLU N N 107 121.917 121.917 119.681 2.236 18364 8654 1 15 . 1 1 107 107 GLU HA H 107 4.949 4.949 4.458 0.491 18364 8655 1 15 . 1 1 107 107 GLU CA C 107 51.404 51.404 54.537 -3.133 18364 8656 1 15 . 1 1 107 107 GLU CB C 107 29.906 29.906 31.902 -1.996 18364 8657 1 15 . 1 1 107 107 GLU H H 107 7.773 7.773 7.924 -0.151 18364 8658 1 15 . 1 1 108 108 TYR N N 108 124.981 124.981 122.544 2.437 18364 8659 1 15 . 1 1 108 108 TYR HA H 108 4.720 4.720 4.820 -0.100 18364 8660 1 15 . 1 1 108 108 TYR CA C 108 54.188 54.188 56.349 -2.161 18364 8661 1 15 . 1 1 108 108 TYR CB C 108 39.101 39.101 41.903 -2.802 18364 8662 1 15 . 1 1 108 108 TYR H H 108 9.031 9.031 8.189 0.842 18364 8663 1 15 . 1 1 109 109 ILE N N 109 121.680 121.680 119.138 2.542 18364 8664 1 15 . 1 1 109 109 ILE HA H 109 5.471 5.471 5.057 0.414 18364 8665 1 15 . 1 1 109 109 ILE CA C 109 56.592 56.592 59.620 -3.028 18364 8666 1 15 . 1 1 109 109 ILE CB C 109 38.728 38.728 42.663 -3.935 18364 8667 1 15 . 1 1 109 109 ILE H H 109 8.475 8.475 8.463 0.012 18364 8668 1 15 . 1 1 110 110 THR N N 110 117.537 117.537 114.924 2.613 18364 8669 1 15 . 1 1 110 110 THR HA H 110 4.521 4.521 4.516 0.005 18364 8670 1 15 . 1 1 110 110 THR CA C 110 59.337 59.337 62.072 -2.735 18364 8671 1 15 . 1 1 110 110 THR CB C 110 67.143 67.143 70.220 -3.077 18364 8672 1 15 . 1 1 110 110 THR H H 110 9.180 9.180 8.701 0.479 18364 8673 1 15 . 1 1 111 111 ASP N N 111 122.428 122.428 126.359 -3.931 18364 8674 1 15 . 1 1 111 111 ASP HA H 111 4.721 4.721 4.768 -0.047 18364 8675 1 15 . 1 1 111 111 ASP CA C 111 50.135 50.135 54.773 -4.638 18364 8676 1 15 . 1 1 111 111 ASP CB C 111 39.613 39.613 41.855 -2.242 18364 8677 1 15 . 1 1 111 111 ASP H H 111 9.342 9.342 9.020 0.322 18364 8678 1 15 . 1 1 112 112 GLY N N 112 110.714 110.714 106.858 3.856 18364 8679 1 15 . 1 1 112 112 GLY CA C 112 43.084 43.084 45.245 -2.161 18364 8680 1 15 . 1 1 112 112 GLY H H 112 8.333 8.333 8.485 -0.152 18364 8681 1 15 . 1 1 113 113 ASN N N 113 119.462 119.462 119.600 -0.138 18364 8682 1 15 . 1 1 113 113 ASN HA H 113 4.926 4.926 4.942 -0.016 18364 8683 1 15 . 1 1 113 113 ASN CA C 113 49.373 49.373 52.529 -3.156 18364 8684 1 15 . 1 1 113 113 ASN CB C 113 37.377 37.377 39.066 -1.689 18364 8685 1 15 . 1 1 113 113 ASN H H 113 8.210 8.210 8.104 0.106 18364 8686 1 15 . 1 1 114 114 THR N N 114 117.962 117.962 114.142 3.820 18364 8687 1 15 . 1 1 114 114 THR HA H 114 4.136 4.136 4.001 0.135 18364 8688 1 15 . 1 1 114 114 THR CA C 114 62.066 62.066 62.560 -0.494 18364 8689 1 15 . 1 1 114 114 THR CB C 114 66.489 66.489 68.953 -2.464 18364 8690 1 15 . 1 1 114 114 THR H H 114 8.436 8.436 8.296 0.140 18364 8691 1 15 . 1 1 115 115 LEU N N 115 132.998 132.998 128.803 4.195 18364 8692 1 15 . 1 1 115 115 LEU HA H 115 4.607 4.607 4.404 0.203 18364 8693 1 15 . 1 1 115 115 LEU CA C 115 52.335 52.335 55.623 -3.288 18364 8694 1 15 . 1 1 115 115 LEU CB C 115 41.546 41.546 42.375 -0.829 18364 8695 1 15 . 1 1 115 115 LEU H H 115 8.789 8.789 7.969 0.820 18364 8696 1 15 . 1 1 116 116 ILE N N 116 126.586 126.586 121.229 5.357 18364 8697 1 15 . 1 1 116 116 ILE HA H 116 4.784 4.784 4.755 0.029 18364 8698 1 15 . 1 1 116 116 ILE CA C 116 58.270 58.270 59.950 -1.680 18364 8699 1 15 . 1 1 116 116 ILE CB C 116 37.909 37.909 42.197 -4.288 18364 8700 1 15 . 1 1 116 116 ILE H H 116 8.637 8.637 8.043 0.594 18364 8701 1 15 . 1 1 117 117 GLU N N 117 127.084 127.084 121.529 5.555 18364 8702 1 15 . 1 1 117 117 GLU HA H 117 4.830 4.830 4.705 0.125 18364 8703 1 15 . 1 1 117 117 GLU CA C 117 51.847 51.847 55.991 -4.144 18364 8704 1 15 . 1 1 117 117 GLU CB C 117 32.299 32.299 32.316 -0.017 18364 8705 1 15 . 1 1 117 117 GLU H H 117 8.933 8.933 8.379 0.554 18364 8706 1 15 . 1 1 118 118 THR N N 118 110.826 110.826 111.341 -0.515 18364 8707 1 15 . 1 1 118 118 THR HA H 118 5.190 5.190 5.221 -0.031 18364 8708 1 15 . 1 1 118 118 THR CA C 118 57.036 57.036 60.826 -3.790 18364 8709 1 15 . 1 1 118 118 THR CB C 118 69.888 69.888 71.435 -1.547 18364 8710 1 15 . 1 1 118 118 THR H H 118 8.664 8.664 8.313 0.351 18364 8711 1 15 . 1 1 119 119 PHE N N 119 115.915 115.915 120.961 -5.046 18364 8712 1 15 . 1 1 119 119 PHE HA H 119 4.999 4.999 5.055 -0.056 18364 8713 1 15 . 1 1 119 119 PHE CA C 119 53.804 53.804 56.035 -2.231 18364 8714 1 15 . 1 1 119 119 PHE CB C 119 39.787 39.787 41.376 -1.589 18364 8715 1 15 . 1 1 119 119 PHE H H 119 8.087 8.087 8.808 -0.721 18364 8716 1 15 . 1 1 120 120 SER N N 120 114.953 114.953 114.458 0.495 18364 8717 1 15 . 1 1 120 120 SER HA H 120 5.383 5.383 4.657 0.726 18364 8718 1 15 . 1 1 120 120 SER CA C 120 55.192 55.192 58.404 -3.212 18364 8719 1 15 . 1 1 120 120 SER CB C 120 62.113 62.113 65.584 -3.471 18364 8720 1 15 . 1 1 120 120 SER H H 120 8.627 8.627 8.477 0.150 18364 8721 1 15 . 1 1 121 121 VAL N N 121 124.122 124.122 121.044 3.078 18364 8722 1 15 . 1 1 121 121 VAL HA H 121 4.349 4.349 4.370 -0.021 18364 8723 1 15 . 1 1 121 121 VAL CA C 121 59.005 59.005 62.664 -3.659 18364 8724 1 15 . 1 1 121 121 VAL CB C 121 34.127 34.127 35.560 -1.433 18364 8725 1 15 . 1 1 121 121 VAL H H 121 8.866 8.866 8.630 0.236 18364 8726 1 15 . 1 1 122 122 SER N N 122 119.703 119.703 123.783 -4.080 18364 8727 1 15 . 1 1 122 122 SER HA H 122 5.598 5.598 5.402 0.196 18364 8728 1 15 . 1 1 122 122 SER CA C 122 53.065 53.065 56.810 -3.745 18364 8729 1 15 . 1 1 122 122 SER CB C 122 63.442 63.442 66.014 -2.572 18364 8730 1 15 . 1 1 122 122 SER H H 122 8.334 8.334 8.462 -0.128 18364 8731 1 15 . 1 1 123 123 THR N N 123 113.276 113.276 115.260 -1.984 18364 8732 1 15 . 1 1 123 123 THR HA H 123 4.093 4.093 4.409 -0.316 18364 8733 1 15 . 1 1 123 123 THR CA C 123 60.143 60.143 63.187 -3.044 18364 8734 1 15 . 1 1 123 123 THR CB C 123 64.437 64.437 69.259 -4.822 18364 8735 1 15 . 1 1 123 123 THR H H 123 8.898 8.898 9.047 -0.149 18364 8736 1 15 . 1 1 124 124 LYS N N 124 119.191 119.191 121.770 -2.579 18364 8737 1 15 . 1 1 124 124 LYS HA H 124 4.324 4.324 4.575 -0.251 18364 8738 1 15 . 1 1 124 124 LYS CA C 124 53.486 53.486 55.922 -2.436 18364 8739 1 15 . 1 1 124 124 LYS CB C 124 32.376 32.376 35.004 -2.628 18364 8740 1 15 . 1 1 124 124 LYS H H 124 7.569 7.569 8.038 -0.469 18364 8741 1 15 . 1 1 125 125 GLU N N 125 124.243 124.243 123.102 1.141 18364 8742 1 15 . 1 1 125 125 GLU HA H 125 4.255 4.255 4.453 -0.198 18364 8743 1 15 . 1 1 125 125 GLU CA C 125 53.830 53.830 56.056 -2.226 18364 8744 1 15 . 1 1 125 125 GLU CB C 125 27.674 27.674 31.734 -4.060 18364 8745 1 15 . 1 1 125 125 GLU H H 125 8.359 8.359 8.344 0.015 18364 8746 1 16 . 1 1 2 2 ALA CA C 2 50.698 50.698 52.310 -1.612 18364 8747 1 16 . 1 1 2 2 ALA CB C 2 16.688 16.688 20.802 -4.114 18364 8748 1 16 . 1 1 3 3 SER N N 3 113.663 113.663 115.970 -2.307 18364 8749 1 16 . 1 1 3 3 SER HA H 3 4.296 4.296 5.264 -0.968 18364 8750 1 16 . 1 1 3 3 SER CA C 3 55.573 55.573 57.628 -2.055 18364 8751 1 16 . 1 1 3 3 SER CB C 3 60.888 60.888 66.032 -5.144 18364 8752 1 16 . 1 1 3 3 SER H H 3 8.301 8.301 8.785 -0.484 18364 8753 1 16 . 1 1 4 4 ASP N N 4 121.532 121.532 120.959 0.573 18364 8754 1 16 . 1 1 4 4 ASP HA H 4 4.394 4.394 4.793 -0.399 18364 8755 1 16 . 1 1 4 4 ASP CA C 4 51.748 51.748 53.894 -2.146 18364 8756 1 16 . 1 1 4 4 ASP CB C 4 38.614 38.614 42.036 -3.422 18364 8757 1 16 . 1 1 4 4 ASP H H 4 7.874 7.874 8.749 -0.875 18364 8758 1 16 . 1 1 5 5 PHE N N 5 119.126 119.126 119.465 -0.339 18364 8759 1 16 . 1 1 5 5 PHE HA H 5 4.535 4.535 4.723 -0.188 18364 8760 1 16 . 1 1 5 5 PHE CA C 5 54.589 54.589 57.844 -3.255 18364 8761 1 16 . 1 1 5 5 PHE CB C 5 37.079 37.079 40.122 -3.043 18364 8762 1 16 . 1 1 5 5 PHE H H 5 7.832 7.832 7.859 -0.027 18364 8763 1 16 . 1 1 6 6 GLN N N 6 122.092 122.092 125.078 -2.986 18364 8764 1 16 . 1 1 6 6 GLN HA H 6 4.417 4.417 4.654 -0.237 18364 8765 1 16 . 1 1 6 6 GLN CA C 6 53.128 53.128 55.714 -2.586 18364 8766 1 16 . 1 1 6 6 GLN CB C 6 27.477 27.477 30.483 -3.006 18364 8767 1 16 . 1 1 6 6 GLN H H 6 8.447 8.447 8.683 -0.236 18364 8768 1 16 . 1 1 7 7 THR N N 7 114.717 114.717 113.520 1.197 18364 8769 1 16 . 1 1 7 7 THR HA H 7 5.035 5.035 4.617 0.418 18364 8770 1 16 . 1 1 7 7 THR CA C 7 57.906 57.906 60.576 -2.670 18364 8771 1 16 . 1 1 7 7 THR CB C 7 68.370 68.370 71.156 -2.785 18364 8772 1 16 . 1 1 7 7 THR H H 7 8.145 8.145 8.077 0.068 18364 8773 1 16 . 1 1 8 8 GLY N N 8 111.628 111.628 109.771 1.857 18364 8774 1 16 . 1 1 8 8 GLY CA C 8 43.774 43.774 44.547 -0.773 18364 8775 1 16 . 1 1 8 8 GLY H H 8 9.234 9.234 8.517 0.717 18364 8776 1 16 . 1 1 9 9 ILE N N 9 119.585 119.585 123.986 -4.401 18364 8777 1 16 . 1 1 9 9 ILE HA H 9 3.934 3.934 4.289 -0.355 18364 8778 1 16 . 1 1 9 9 ILE CA C 9 58.907 58.907 60.328 -1.421 18364 8779 1 16 . 1 1 9 9 ILE CB C 9 35.738 35.738 38.450 -2.712 18364 8780 1 16 . 1 1 9 9 ILE H H 9 8.603 8.603 8.179 0.424 18364 8781 1 16 . 1 1 10 10 HIS N N 10 133.616 133.616 127.512 6.104 18364 8782 1 16 . 1 1 10 10 HIS HA H 10 5.185 5.185 5.347 -0.162 18364 8783 1 16 . 1 1 10 10 HIS CA C 10 53.587 53.587 55.208 -1.621 18364 8784 1 16 . 1 1 10 10 HIS CB C 10 30.817 30.817 31.763 -0.946 18364 8785 1 16 . 1 1 10 10 HIS H H 10 8.599 8.599 8.706 -0.107 18364 8786 1 16 . 1 1 11 11 LYS N N 11 122.949 122.949 121.548 1.401 18364 8787 1 16 . 1 1 11 11 LYS HA H 11 5.236 5.236 5.225 0.011 18364 8788 1 16 . 1 1 11 11 LYS CA C 11 52.748 52.748 55.349 -2.601 18364 8789 1 16 . 1 1 11 11 LYS CB C 11 35.137 35.137 36.594 -1.457 18364 8790 1 16 . 1 1 11 11 LYS H H 11 8.775 8.775 8.702 0.073 18364 8791 1 16 . 1 1 12 12 ILE N N 12 125.260 125.260 122.496 2.764 18364 8792 1 16 . 1 1 12 12 ILE HA H 12 5.273 5.273 5.094 0.179 18364 8793 1 16 . 1 1 12 12 ILE CA C 12 55.780 55.780 59.016 -3.236 18364 8794 1 16 . 1 1 12 12 ILE CB C 12 38.767 38.767 42.473 -3.706 18364 8795 1 16 . 1 1 12 12 ILE H H 12 8.578 8.578 9.022 -0.444 18364 8796 1 16 . 1 1 13 13 VAL N N 13 126.515 126.515 124.681 1.834 18364 8797 1 16 . 1 1 13 13 VAL HA H 13 4.795 4.795 4.814 -0.019 18364 8798 1 16 . 1 1 13 13 VAL CA C 13 58.115 58.115 61.181 -3.066 18364 8799 1 16 . 1 1 13 13 VAL CB C 13 32.948 32.948 35.050 -2.102 18364 8800 1 16 . 1 1 13 13 VAL H H 13 9.052 9.052 8.571 0.481 18364 8801 1 16 . 1 1 14 14 ILE N N 14 125.803 125.803 126.246 -0.443 18364 8802 1 16 . 1 1 14 14 ILE HA H 14 5.008 5.008 4.983 0.025 18364 8803 1 16 . 1 1 14 14 ILE CA C 14 57.539 57.539 60.033 -2.494 18364 8804 1 16 . 1 1 14 14 ILE CB C 14 38.656 38.656 42.164 -3.509 18364 8805 1 16 . 1 1 14 14 ILE H H 14 8.974 8.974 8.556 0.418 18364 8806 1 16 . 1 1 15 15 GLN N N 15 125.773 125.773 121.077 4.696 18364 8807 1 16 . 1 1 15 15 GLN HA H 15 5.433 5.433 5.314 0.119 18364 8808 1 16 . 1 1 15 15 GLN CA C 15 51.002 51.002 54.464 -3.462 18364 8809 1 16 . 1 1 15 15 GLN CB C 15 29.637 29.637 33.619 -3.982 18364 8810 1 16 . 1 1 15 15 GLN H H 15 9.244 9.244 8.939 0.305 18364 8811 1 16 . 1 1 16 16 GLN N N 16 119.832 119.832 117.893 1.939 18364 8812 1 16 . 1 1 16 16 GLN HA H 16 5.741 5.741 5.545 0.196 18364 8813 1 16 . 1 1 16 16 GLN CA C 16 50.572 50.572 54.426 -3.854 18364 8814 1 16 . 1 1 16 16 GLN CB C 16 30.039 30.039 33.183 -3.144 18364 8815 1 16 . 1 1 16 16 GLN H H 16 8.964 8.964 9.061 -0.097 18364 8816 1 16 . 1 1 17 17 SER N N 17 115.201 115.201 115.164 0.037 18364 8817 1 16 . 1 1 17 17 SER HA H 17 4.526 4.526 4.853 -0.327 18364 8818 1 16 . 1 1 17 17 SER CA C 17 54.831 54.831 57.872 -3.041 18364 8819 1 16 . 1 1 17 17 SER CB C 17 62.930 62.930 66.279 -3.349 18364 8820 1 16 . 1 1 17 17 SER H H 17 8.770 8.770 8.815 -0.045 18364 8821 1 16 . 1 1 18 18 GLY N N 18 109.321 109.321 109.607 -0.286 18364 8822 1 16 . 1 1 18 18 GLY CA C 18 41.737 41.737 44.890 -3.153 18364 8823 1 16 . 1 1 18 18 GLY H H 18 8.798 8.798 8.433 0.365 18364 8824 1 16 . 1 1 19 19 ASP N N 19 128.121 128.121 125.409 2.712 18364 8825 1 16 . 1 1 19 19 ASP HA H 19 5.071 5.071 4.730 0.341 18364 8826 1 16 . 1 1 19 19 ASP CA C 19 51.251 51.251 54.914 -3.663 18364 8827 1 16 . 1 1 19 19 ASP CB C 19 37.872 37.872 39.317 -1.445 18364 8828 1 16 . 1 1 19 19 ASP H H 19 9.708 9.708 8.427 1.281 18364 8829 1 16 . 1 1 20 20 THR N N 20 111.610 111.610 114.383 -2.773 18364 8830 1 16 . 1 1 20 20 THR HA H 20 3.615 3.615 4.114 -0.499 18364 8831 1 16 . 1 1 20 20 THR CA C 20 63.331 63.331 66.421 -3.090 18364 8832 1 16 . 1 1 20 20 THR CB C 20 64.873 64.873 68.533 -3.660 18364 8833 1 16 . 1 1 20 20 THR H H 20 8.136 8.136 8.425 -0.289 18364 8834 1 16 . 1 1 21 21 ASP N N 21 118.304 118.304 122.229 -3.925 18364 8835 1 16 . 1 1 21 21 ASP HA H 21 4.639 4.639 4.547 0.092 18364 8836 1 16 . 1 1 21 21 ASP CA C 21 52.945 52.945 56.771 -3.826 18364 8837 1 16 . 1 1 21 21 ASP CB C 21 37.785 37.785 40.337 -2.552 18364 8838 1 16 . 1 1 21 21 ASP H H 21 8.566 8.566 8.744 -0.178 18364 8839 1 16 . 1 1 22 22 SER N N 22 114.253 114.253 114.416 -0.163 18364 8840 1 16 . 1 1 22 22 SER HA H 22 4.384 4.384 4.658 -0.274 18364 8841 1 16 . 1 1 22 22 SER CA C 22 57.170 57.170 58.831 -1.661 18364 8842 1 16 . 1 1 22 22 SER CB C 22 61.441 61.441 64.028 -2.587 18364 8843 1 16 . 1 1 22 22 SER H H 22 8.076 8.076 7.786 0.290 18364 8844 1 16 . 1 1 23 23 PHE N N 23 119.853 119.853 123.313 -3.460 18364 8845 1 16 . 1 1 23 23 PHE HA H 23 5.010 5.010 5.277 -0.267 18364 8846 1 16 . 1 1 23 23 PHE CA C 23 53.272 53.272 54.821 -1.548 18364 8847 1 16 . 1 1 23 23 PHE CB C 23 42.021 42.021 41.399 0.622 18364 8848 1 16 . 1 1 23 23 PHE H H 23 7.611 7.611 8.015 -0.404 18364 8849 1 16 . 1 1 24 24 GLU N N 24 119.255 119.255 129.818 -10.563 18364 8850 1 16 . 1 1 24 24 GLU HA H 24 4.571 4.571 4.414 0.157 18364 8851 1 16 . 1 1 24 24 GLU CA C 24 52.642 52.642 55.078 -2.436 18364 8852 1 16 . 1 1 24 24 GLU CB C 24 28.881 28.881 28.770 0.111 18364 8853 1 16 . 1 1 24 24 GLU H H 24 8.958 8.958 8.749 0.209 18364 8854 1 16 . 1 1 25 25 VAL N N 25 130.637 130.637 125.271 5.366 18364 8855 1 16 . 1 1 25 25 VAL HA H 25 4.859 4.859 3.873 0.986 18364 8856 1 16 . 1 1 25 25 VAL CA C 25 58.548 58.548 62.270 -3.722 18364 8857 1 16 . 1 1 25 25 VAL CB C 25 30.439 30.439 29.997 0.442 18364 8858 1 16 . 1 1 25 25 VAL H H 25 9.678 9.678 7.246 2.432 18364 8859 1 16 . 1 1 26 26 SER N N 26 122.555 122.555 123.618 -1.063 18364 8860 1 16 . 1 1 26 26 SER HA H 26 5.289 5.289 4.729 0.560 18364 8861 1 16 . 1 1 26 26 SER CA C 26 54.088 54.088 57.263 -3.175 18364 8862 1 16 . 1 1 26 26 SER CB C 26 62.476 62.476 63.549 -1.073 18364 8863 1 16 . 1 1 26 26 SER H H 26 8.883 8.883 8.169 0.714 18364 8864 1 16 . 1 1 27 27 VAL N N 27 113.682 113.682 123.169 -9.487 18364 8865 1 16 . 1 1 27 27 VAL HA H 27 5.269 5.269 4.229 1.040 18364 8866 1 16 . 1 1 27 27 VAL CA C 27 56.005 56.005 61.277 -5.272 18364 8867 1 16 . 1 1 27 27 VAL CB C 27 34.158 34.158 35.810 -1.652 18364 8868 1 16 . 1 1 27 27 VAL H H 27 8.493 8.493 7.834 0.659 18364 8869 1 16 . 1 1 28 28 SER N N 28 116.852 116.852 117.014 -0.162 18364 8870 1 16 . 1 1 28 28 SER HA H 28 5.410 5.410 4.938 0.472 18364 8871 1 16 . 1 1 28 28 SER CA C 28 54.633 54.633 57.816 -3.183 18364 8872 1 16 . 1 1 28 28 SER CB C 28 62.095 62.095 65.408 -3.313 18364 8873 1 16 . 1 1 28 28 SER H H 28 8.709 8.709 8.515 0.194 18364 8874 1 16 . 1 1 29 29 ILE N N 29 128.765 128.765 120.514 8.251 18364 8875 1 16 . 1 1 29 29 ILE HA H 29 5.224 5.224 4.849 0.375 18364 8876 1 16 . 1 1 29 29 ILE CA C 29 57.247 57.247 59.425 -2.178 18364 8877 1 16 . 1 1 29 29 ILE CB C 29 39.144 39.144 42.010 -2.866 18364 8878 1 16 . 1 1 29 29 ILE H H 29 9.631 9.631 8.632 0.999 18364 8879 1 16 . 1 1 30 30 GLY N N 30 112.478 112.478 109.420 3.058 18364 8880 1 16 . 1 1 30 30 GLY CA C 30 42.140 42.140 45.347 -3.207 18364 8881 1 16 . 1 1 30 30 GLY H H 30 8.095 8.095 7.697 0.398 18364 8882 1 16 . 1 1 31 31 GLY N N 31 108.502 108.502 104.588 3.914 18364 8883 1 16 . 1 1 31 31 GLY CA C 31 43.201 43.201 45.083 -1.882 18364 8884 1 16 . 1 1 31 31 GLY H H 31 9.755 9.755 8.083 1.672 18364 8885 1 16 . 1 1 32 32 ALA N N 32 122.020 122.020 120.138 1.882 18364 8886 1 16 . 1 1 32 32 ALA HA H 32 4.967 4.967 4.968 -0.001 18364 8887 1 16 . 1 1 32 32 ALA CA C 32 48.540 48.540 50.918 -2.378 18364 8888 1 16 . 1 1 32 32 ALA CB C 32 21.078 21.078 23.029 -1.950 18364 8889 1 16 . 1 1 32 32 ALA H H 32 7.338 7.338 7.270 0.068 18364 8890 1 16 . 1 1 33 33 ASP N N 33 121.217 121.217 118.611 2.606 18364 8891 1 16 . 1 1 33 33 ASP HA H 33 3.680 3.680 3.947 -0.267 18364 8892 1 16 . 1 1 33 33 ASP CA C 33 49.520 49.520 52.042 -2.522 18364 8893 1 16 . 1 1 33 33 ASP CB C 33 40.840 40.840 44.495 -3.655 18364 8894 1 16 . 1 1 33 33 ASP H H 33 8.945 8.945 8.866 0.079 18364 8895 1 16 . 1 1 34 34 LYS N N 34 117.693 117.693 120.698 -3.005 18364 8896 1 16 . 1 1 34 34 LYS HA H 34 4.017 4.017 4.326 -0.309 18364 8897 1 16 . 1 1 34 34 LYS CA C 34 56.700 56.700 56.383 0.317 18364 8898 1 16 . 1 1 34 34 LYS CB C 34 29.772 29.772 31.291 -1.519 18364 8899 1 16 . 1 1 34 34 LYS H H 34 8.200 8.200 8.030 0.170 18364 8900 1 16 . 1 1 35 35 GLY N N 35 106.697 106.697 110.883 -4.186 18364 8901 1 16 . 1 1 35 35 GLY CA C 35 42.719 42.719 44.813 -2.094 18364 8902 1 16 . 1 1 35 35 GLY H H 35 8.653 8.653 8.291 0.362 18364 8903 1 16 . 1 1 36 36 GLY N N 36 110.824 110.824 109.068 1.756 18364 8904 1 16 . 1 1 36 36 GLY CA C 36 41.099 41.099 45.111 -4.012 18364 8905 1 16 . 1 1 36 36 GLY H H 36 7.601 7.601 7.598 0.003 18364 8906 1 16 . 1 1 37 37 PRO HA H 37 4.571 4.571 4.616 -0.045 18364 8907 1 16 . 1 1 37 37 PRO CA C 37 60.012 60.012 62.413 -2.401 18364 8908 1 16 . 1 1 37 37 PRO CB C 37 29.470 29.470 32.617 -3.147 18364 8909 1 16 . 1 1 38 38 ALA N N 38 127.841 127.841 123.405 4.436 18364 8910 1 16 . 1 1 38 38 ALA HA H 38 4.127 4.127 4.607 -0.480 18364 8911 1 16 . 1 1 38 38 ALA CA C 38 48.117 48.117 50.605 -2.488 18364 8912 1 16 . 1 1 38 38 ALA CB C 38 16.655 16.655 20.091 -3.436 18364 8913 1 16 . 1 1 38 38 ALA H H 38 7.486 7.486 7.990 -0.504 18364 8914 1 16 . 1 1 39 39 LYS N N 39 121.148 121.148 123.698 -2.550 18364 8915 1 16 . 1 1 39 39 LYS HA H 39 4.115 4.115 4.361 -0.246 18364 8916 1 16 . 1 1 39 39 LYS CA C 39 55.674 55.674 57.380 -1.706 18364 8917 1 16 . 1 1 39 39 LYS CB C 39 31.223 31.223 33.374 -2.151 18364 8918 1 16 . 1 1 39 39 LYS H H 39 8.042 8.042 8.536 -0.494 18364 8919 1 16 . 1 1 40 40 LEU N N 40 118.817 118.817 118.943 -0.126 18364 8920 1 16 . 1 1 40 40 LEU HA H 40 5.122 5.122 5.129 -0.007 18364 8921 1 16 . 1 1 40 40 LEU CA C 40 50.156 50.156 53.678 -3.522 18364 8922 1 16 . 1 1 40 40 LEU CB C 40 42.172 42.172 46.272 -4.100 18364 8923 1 16 . 1 1 40 40 LEU H H 40 7.901 7.901 8.628 -0.727 18364 8924 1 16 . 1 1 41 41 TYR N N 41 117.843 117.843 116.802 1.041 18364 8925 1 16 . 1 1 41 41 TYR HA H 41 5.303 5.303 5.383 -0.080 18364 8926 1 16 . 1 1 41 41 TYR CA C 41 53.394 53.394 56.561 -3.167 18364 8927 1 16 . 1 1 41 41 TYR CB C 41 39.419 39.419 42.517 -3.098 18364 8928 1 16 . 1 1 41 41 TYR H H 41 9.109 9.109 8.660 0.449 18364 8929 1 16 . 1 1 42 42 ASN N N 42 117.689 117.689 119.017 -1.328 18364 8930 1 16 . 1 1 42 42 ASN HA H 42 4.984 4.984 4.970 0.014 18364 8931 1 16 . 1 1 42 42 ASN CA C 42 48.001 48.001 51.634 -3.633 18364 8932 1 16 . 1 1 42 42 ASN CB C 42 36.514 36.514 40.088 -3.574 18364 8933 1 16 . 1 1 42 42 ASN H H 42 8.239 8.239 8.362 -0.123 18364 8934 1 16 . 1 1 43 43 ASP N N 43 116.760 116.760 118.456 -1.696 18364 8935 1 16 . 1 1 43 43 ASP HA H 43 4.170 4.170 4.534 -0.364 18364 8936 1 16 . 1 1 43 43 ASP CA C 43 53.123 53.123 55.497 -2.374 18364 8937 1 16 . 1 1 43 43 ASP CB C 43 37.355 37.355 40.421 -3.066 18364 8938 1 16 . 1 1 43 43 ASP H H 43 8.650 8.650 8.832 -0.182 18364 8939 1 16 . 1 1 44 44 LYS N N 44 118.108 118.108 117.597 0.511 18364 8940 1 16 . 1 1 44 44 LYS HA H 44 4.359 4.359 4.389 -0.030 18364 8941 1 16 . 1 1 44 44 LYS CA C 44 52.676 52.676 56.056 -3.380 18364 8942 1 16 . 1 1 44 44 LYS CB C 44 30.170 30.170 33.307 -3.137 18364 8943 1 16 . 1 1 44 44 LYS H H 44 7.505 7.505 7.657 -0.152 18364 8944 1 16 . 1 1 45 45 GLY N N 45 108.163 108.163 109.182 -1.019 18364 8945 1 16 . 1 1 45 45 GLY CA C 45 42.988 42.988 45.412 -2.424 18364 8946 1 16 . 1 1 45 45 GLY H H 45 8.117 8.117 8.049 0.068 18364 8947 1 16 . 1 1 46 46 GLU N N 46 120.173 120.173 118.653 1.520 18364 8948 1 16 . 1 1 46 46 GLU HA H 46 4.345 4.345 4.393 -0.048 18364 8949 1 16 . 1 1 46 46 GLU CA C 46 52.409 52.409 55.806 -3.397 18364 8950 1 16 . 1 1 46 46 GLU CB C 46 27.408 27.408 30.638 -3.230 18364 8951 1 16 . 1 1 46 46 GLU H H 46 7.884 7.884 7.958 -0.074 18364 8952 1 16 . 1 1 47 47 TYR N N 47 123.803 123.803 123.079 0.724 18364 8953 1 16 . 1 1 47 47 TYR HA H 47 4.351 4.351 4.100 0.251 18364 8954 1 16 . 1 1 47 47 TYR CA C 47 54.317 54.317 58.916 -4.599 18364 8955 1 16 . 1 1 47 47 TYR CB C 47 35.858 35.858 38.546 -2.688 18364 8956 1 16 . 1 1 47 47 TYR H H 47 8.710 8.710 8.845 -0.135 18364 8957 1 16 . 1 1 48 48 ILE N N 48 123.458 123.458 120.261 3.197 18364 8958 1 16 . 1 1 48 48 ILE HA H 48 4.173 4.173 4.582 -0.409 18364 8959 1 16 . 1 1 48 48 ILE CA C 48 58.314 58.314 60.451 -2.137 18364 8960 1 16 . 1 1 48 48 ILE CB C 48 36.129 36.129 38.935 -2.806 18364 8961 1 16 . 1 1 48 48 ILE H H 48 8.416 8.416 8.142 0.274 18364 8962 1 16 . 1 1 49 49 GLY N N 49 107.257 107.257 110.005 -2.748 18364 8963 1 16 . 1 1 49 49 GLY CA C 49 41.367 41.367 45.045 -3.678 18364 8964 1 16 . 1 1 49 49 GLY H H 49 5.472 5.472 7.501 -2.029 18364 8965 1 16 . 1 1 50 50 ASP N N 50 116.887 116.887 115.743 1.144 18364 8966 1 16 . 1 1 50 50 ASP HA H 50 5.043 5.043 4.878 0.165 18364 8967 1 16 . 1 1 50 50 ASP CA C 50 50.588 50.588 53.940 -3.352 18364 8968 1 16 . 1 1 50 50 ASP CB C 50 37.448 37.448 42.847 -5.399 18364 8969 1 16 . 1 1 50 50 ASP H H 50 8.234 8.234 8.583 -0.349 18364 8970 1 16 . 1 1 51 51 SER N N 51 112.664 112.664 113.454 -0.790 18364 8971 1 16 . 1 1 51 51 SER HA H 51 4.439 4.439 4.746 -0.307 18364 8972 1 16 . 1 1 51 51 SER CA C 51 55.489 55.489 57.513 -2.024 18364 8973 1 16 . 1 1 51 51 SER CB C 51 61.559 61.559 64.993 -3.434 18364 8974 1 16 . 1 1 51 51 SER H H 51 7.689 7.689 7.632 0.057 18364 8975 1 16 . 1 1 52 52 TYR N N 52 122.672 122.672 120.613 2.059 18364 8976 1 16 . 1 1 52 52 TYR HA H 52 4.732 4.732 4.737 -0.005 18364 8977 1 16 . 1 1 52 52 TYR CA C 52 55.168 55.168 57.563 -2.395 18364 8978 1 16 . 1 1 52 52 TYR CB C 52 38.599 38.599 38.689 -0.090 18364 8979 1 16 . 1 1 52 52 TYR H H 52 8.231 8.231 7.705 0.526 18364 8980 1 16 . 1 1 53 53 SER N N 53 123.803 123.803 116.150 7.653 18364 8981 1 16 . 1 1 53 53 SER HA H 53 5.429 5.429 4.982 0.447 18364 8982 1 16 . 1 1 53 53 SER CA C 53 53.508 53.508 57.669 -4.161 18364 8983 1 16 . 1 1 53 53 SER CB C 53 61.674 61.674 65.279 -3.605 18364 8984 1 16 . 1 1 53 53 SER H H 53 8.008 8.008 8.563 -0.555 18364 8985 1 16 . 1 1 54 54 ALA N N 54 125.516 125.516 127.978 -2.462 18364 8986 1 16 . 1 1 54 54 ALA HA H 54 4.289 4.289 4.584 -0.295 18364 8987 1 16 . 1 1 54 54 ALA CA C 54 49.097 49.097 51.104 -2.007 18364 8988 1 16 . 1 1 54 54 ALA CB C 54 20.259 20.259 19.670 0.589 18364 8989 1 16 . 1 1 54 54 ALA H H 54 8.089 8.089 8.548 -0.459 18364 8990 1 16 . 1 1 55 55 GLN N N 55 118.838 118.838 125.741 -6.903 18364 8991 1 16 . 1 1 55 55 GLN HA H 55 4.975 4.975 4.500 0.475 18364 8992 1 16 . 1 1 55 55 GLN CA C 55 52.306 52.306 55.948 -3.642 18364 8993 1 16 . 1 1 55 55 GLN CB C 55 26.138 26.138 29.667 -3.529 18364 8994 1 16 . 1 1 55 55 GLN H H 55 8.100 8.100 8.576 -0.476 18364 8995 1 16 . 1 1 56 56 ILE N N 56 124.748 124.748 124.493 0.255 18364 8996 1 16 . 1 1 56 56 ILE HA H 56 4.246 4.246 4.226 0.020 18364 8997 1 16 . 1 1 56 56 ILE CA C 56 57.529 57.529 60.311 -2.782 18364 8998 1 16 . 1 1 56 56 ILE CB C 56 34.915 34.915 37.206 -2.291 18364 8999 1 16 . 1 1 56 56 ILE H H 56 8.910 8.910 8.537 0.373 18364 9000 1 16 . 1 1 57 57 ARG N N 57 127.183 127.183 123.957 3.226 18364 9001 1 16 . 1 1 57 57 ARG HA H 57 4.777 4.777 4.574 0.203 18364 9002 1 16 . 1 1 57 57 ARG CA C 57 52.455 52.455 55.826 -3.371 18364 9003 1 16 . 1 1 57 57 ARG CB C 57 28.839 28.839 30.866 -2.027 18364 9004 1 16 . 1 1 57 57 ARG H H 57 8.979 8.979 8.709 0.270 18364 9005 1 16 . 1 1 58 58 THR N N 58 109.995 109.995 108.842 1.153 18364 9006 1 16 . 1 1 58 58 THR HA H 58 4.529 4.529 4.728 -0.199 18364 9007 1 16 . 1 1 58 58 THR CA C 58 57.124 57.124 60.157 -3.033 18364 9008 1 16 . 1 1 58 58 THR CB C 58 68.143 68.143 72.168 -4.025 18364 9009 1 16 . 1 1 58 58 THR H H 58 7.150 7.150 7.842 -0.692 18364 9010 1 16 . 1 1 59 59 ALA N N 59 123.143 123.143 122.705 0.438 18364 9011 1 16 . 1 1 59 59 ALA HA H 59 4.167 4.167 4.272 -0.105 18364 9012 1 16 . 1 1 59 59 ALA CA C 59 52.603 52.603 54.177 -1.574 18364 9013 1 16 . 1 1 59 59 ALA CB C 59 16.910 16.910 19.086 -2.176 18364 9014 1 16 . 1 1 59 59 ALA H H 59 8.531 8.531 8.601 -0.070 18364 9015 1 16 . 1 1 60 60 THR N N 60 105.988 105.988 107.007 -1.019 18364 9016 1 16 . 1 1 60 60 THR HA H 60 5.471 5.471 5.321 0.150 18364 9017 1 16 . 1 1 60 60 THR CA C 60 56.904 56.904 60.658 -3.754 18364 9018 1 16 . 1 1 60 60 THR CB C 60 69.111 69.111 71.802 -2.691 18364 9019 1 16 . 1 1 60 60 THR H H 60 7.521 7.521 7.545 -0.024 18364 9020 1 16 . 1 1 61 61 MET N N 61 124.706 124.706 120.045 4.661 18364 9021 1 16 . 1 1 61 61 MET HA H 61 4.641 4.641 4.995 -0.354 18364 9022 1 16 . 1 1 61 61 MET CA C 61 52.883 52.883 53.749 -0.866 18364 9023 1 16 . 1 1 61 61 MET CB C 61 32.345 32.345 37.632 -5.287 18364 9024 1 16 . 1 1 61 61 MET H H 61 8.758 8.758 9.314 -0.556 18364 9025 1 16 . 1 1 62 62 SER N N 62 117.004 117.004 115.478 1.526 18364 9026 1 16 . 1 1 62 62 SER HA H 62 5.551 5.551 5.276 0.275 18364 9027 1 16 . 1 1 62 62 SER CA C 62 54.255 54.255 57.824 -3.569 18364 9028 1 16 . 1 1 62 62 SER CB C 62 64.130 64.130 66.000 -1.870 18364 9029 1 16 . 1 1 62 62 SER H H 62 8.164 8.164 8.515 -0.351 18364 9030 1 16 . 1 1 63 63 CYS N N 63 120.270 120.270 118.906 1.364 18364 9031 1 16 . 1 1 63 63 CYS HA H 63 5.075 5.075 5.047 0.028 18364 9032 1 16 . 1 1 63 63 CYS CA C 63 54.676 54.676 57.469 -2.793 18364 9033 1 16 . 1 1 63 63 CYS CB C 63 28.679 28.679 31.820 -3.141 18364 9034 1 16 . 1 1 63 63 CYS H H 63 8.537 8.537 8.713 -0.176 18364 9035 1 16 . 1 1 64 64 CYS N N 64 120.868 120.868 118.764 2.104 18364 9036 1 16 . 1 1 64 64 CYS HA H 64 5.918 5.918 5.430 0.488 18364 9037 1 16 . 1 1 64 64 CYS CA C 64 53.204 53.204 55.846 -2.642 18364 9038 1 16 . 1 1 64 64 CYS CB C 64 30.216 30.216 32.131 -1.915 18364 9039 1 16 . 1 1 64 64 CYS H H 64 9.307 9.307 8.815 0.492 18364 9040 1 16 . 1 1 65 65 THR N N 65 109.830 109.830 113.265 -3.435 18364 9041 1 16 . 1 1 65 65 THR HA H 65 5.426 5.426 4.937 0.489 18364 9042 1 16 . 1 1 65 65 THR CA C 65 58.465 58.465 60.127 -1.661 18364 9043 1 16 . 1 1 65 65 THR CB C 65 69.665 69.665 71.024 -1.359 18364 9044 1 16 . 1 1 65 65 THR H H 65 8.447 8.447 8.065 0.382 18364 9045 1 16 . 1 1 66 66 ASN N N 66 114.459 114.459 120.248 -5.789 18364 9046 1 16 . 1 1 66 66 ASN HA H 66 4.656 4.656 4.649 0.007 18364 9047 1 16 . 1 1 66 66 ASN CA C 66 49.879 49.879 53.585 -3.706 18364 9048 1 16 . 1 1 66 66 ASN CB C 66 36.267 36.267 39.496 -3.229 18364 9049 1 16 . 1 1 66 66 ASN H H 66 9.300 9.300 8.732 0.568 18364 9050 1 16 . 1 1 67 67 GLY N N 67 103.647 103.647 105.956 -2.309 18364 9051 1 16 . 1 1 67 67 GLY CA C 67 43.796 43.796 45.450 -1.655 18364 9052 1 16 . 1 1 67 67 GLY H H 67 8.237 8.237 8.831 -0.594 18364 9053 1 16 . 1 1 69 69 ALA N N 69 121.911 121.911 124.633 -2.722 18364 9054 1 16 . 1 1 69 69 ALA HA H 69 4.244 4.244 4.364 -0.120 18364 9055 1 16 . 1 1 69 69 ALA CA C 69 49.758 49.758 51.761 -2.003 18364 9056 1 16 . 1 1 69 69 ALA CB C 69 17.376 17.376 21.545 -4.169 18364 9057 1 16 . 1 1 69 69 ALA H H 69 7.677 7.677 7.696 -0.019 18364 9058 1 16 . 1 1 70 70 PHE N N 70 114.118 114.118 115.743 -1.625 18364 9059 1 16 . 1 1 70 70 PHE HA H 70 4.965 4.965 5.186 -0.221 18364 9060 1 16 . 1 1 70 70 PHE CA C 70 53.129 53.129 56.325 -3.196 18364 9061 1 16 . 1 1 70 70 PHE CB C 70 37.917 37.917 42.839 -4.922 18364 9062 1 16 . 1 1 70 70 PHE H H 70 8.549 8.549 8.803 -0.254 18364 9063 1 16 . 1 1 71 71 PHE N N 71 110.252 110.252 114.623 -4.371 18364 9064 1 16 . 1 1 71 71 PHE HA H 71 4.247 4.247 4.279 -0.032 18364 9065 1 16 . 1 1 71 71 PHE CA C 71 54.475 54.475 55.890 -1.415 18364 9066 1 16 . 1 1 71 71 PHE CB C 71 38.123 38.123 40.975 -2.852 18364 9067 1 16 . 1 1 71 71 PHE H H 71 6.617 6.617 7.082 -0.465 18364 9068 1 16 . 1 1 72 72 MET N N 72 118.637 118.637 118.078 0.559 18364 9069 1 16 . 1 1 72 72 MET HA H 72 4.800 4.800 4.901 -0.101 18364 9070 1 16 . 1 1 72 72 MET CA C 72 53.108 53.108 54.081 -0.973 18364 9071 1 16 . 1 1 72 72 MET CB C 72 35.826 35.826 36.900 -1.074 18364 9072 1 16 . 1 1 72 72 MET H H 72 8.162 8.162 8.586 -0.424 18364 9073 1 16 . 1 1 73 73 THR N N 73 117.278 117.278 115.917 1.361 18364 9074 1 16 . 1 1 73 73 THR HA H 73 5.018 5.018 5.142 -0.124 18364 9075 1 16 . 1 1 73 73 THR CA C 73 58.316 58.316 61.240 -2.924 18364 9076 1 16 . 1 1 73 73 THR CB C 73 69.118 69.118 71.554 -2.436 18364 9077 1 16 . 1 1 73 73 THR H H 73 9.220 9.220 8.668 0.552 18364 9078 1 16 . 1 1 74 74 CYS N N 74 124.101 124.101 124.931 -0.830 18364 9079 1 16 . 1 1 74 74 CYS HA H 74 5.076 5.076 5.151 -0.075 18364 9080 1 16 . 1 1 74 74 CYS CA C 74 54.219 54.219 56.798 -2.579 18364 9081 1 16 . 1 1 74 74 CYS CB C 74 27.012 27.012 27.357 -0.345 18364 9082 1 16 . 1 1 74 74 CYS H H 74 8.958 8.958 8.221 0.737 18364 9083 1 16 . 1 1 75 75 ALA N N 75 132.901 132.901 123.797 9.104 18364 9084 1 16 . 1 1 75 75 ALA HA H 75 4.975 4.975 4.315 0.660 18364 9085 1 16 . 1 1 75 75 ALA CA C 75 47.826 47.826 52.342 -4.516 18364 9086 1 16 . 1 1 75 75 ALA CB C 75 18.111 18.111 19.564 -1.453 18364 9087 1 16 . 1 1 75 75 ALA H H 75 8.834 8.834 7.458 1.376 18364 9088 1 16 . 1 1 76 76 GLY N N 76 110.691 110.691 109.222 1.469 18364 9089 1 16 . 1 1 76 76 GLY CA C 76 41.784 41.784 44.133 -2.349 18364 9090 1 16 . 1 1 76 76 GLY H H 76 8.265 8.265 8.291 -0.026 18364 9091 1 16 . 1 1 77 77 SER N N 77 115.145 115.145 114.958 0.187 18364 9092 1 16 . 1 1 77 77 SER HA H 77 4.980 4.980 5.197 -0.217 18364 9093 1 16 . 1 1 77 77 SER CA C 77 54.022 54.022 57.429 -3.407 18364 9094 1 16 . 1 1 77 77 SER CB C 77 62.987 62.987 66.447 -3.460 18364 9095 1 16 . 1 1 77 77 SER H H 77 8.723 8.723 8.920 -0.197 18364 9096 1 16 . 1 1 78 78 VAL N N 78 124.775 124.775 124.938 -0.163 18364 9097 1 16 . 1 1 78 78 VAL HA H 78 4.634 4.634 4.427 0.207 18364 9098 1 16 . 1 1 78 78 VAL CA C 78 58.437 58.437 62.178 -3.741 18364 9099 1 16 . 1 1 78 78 VAL CB C 78 32.177 32.177 32.764 -0.587 18364 9100 1 16 . 1 1 78 78 VAL H H 78 8.963 8.963 8.947 0.016 18364 9101 1 16 . 1 1 79 79 SER N N 79 118.951 118.951 119.859 -0.908 18364 9102 1 16 . 1 1 79 79 SER HA H 79 5.619 5.619 4.885 0.734 18364 9103 1 16 . 1 1 79 79 SER CA C 79 53.011 53.011 57.124 -4.113 18364 9104 1 16 . 1 1 79 79 SER CB C 79 64.197 64.197 65.266 -1.069 18364 9105 1 16 . 1 1 79 79 SER H H 79 8.661 8.661 8.389 0.272 18364 9106 1 16 . 1 1 80 80 SER N N 80 114.750 114.750 116.547 -1.797 18364 9107 1 16 . 1 1 80 80 SER HA H 80 4.439 4.439 4.955 -0.516 18364 9108 1 16 . 1 1 80 80 SER CA C 80 56.198 56.198 57.390 -1.192 18364 9109 1 16 . 1 1 80 80 SER CB C 80 63.490 63.490 65.693 -2.203 18364 9110 1 16 . 1 1 80 80 SER H H 80 8.563 8.563 8.657 -0.094 18364 9111 1 16 . 1 1 81 81 ILE N N 81 120.003 120.003 121.157 -1.154 18364 9112 1 16 . 1 1 81 81 ILE HA H 81 4.576 4.576 4.584 -0.008 18364 9113 1 16 . 1 1 81 81 ILE CA C 81 57.951 57.951 59.944 -1.993 18364 9114 1 16 . 1 1 81 81 ILE CB C 81 36.011 36.011 37.927 -1.916 18364 9115 1 16 . 1 1 81 81 ILE H H 81 8.366 8.366 8.772 -0.406 18364 9116 1 16 . 1 1 82 82 SER N N 82 119.139 119.139 118.105 1.034 18364 9117 1 16 . 1 1 82 82 SER HA H 82 4.158 4.158 4.515 -0.357 18364 9118 1 16 . 1 1 82 82 SER CA C 82 56.910 56.910 57.875 -0.965 18364 9119 1 16 . 1 1 82 82 SER CB C 82 62.055 62.055 64.489 -2.434 18364 9120 1 16 . 1 1 82 82 SER H H 82 8.204 8.204 7.639 0.565 18364 9121 1 16 . 1 1 83 83 GLU N N 83 118.350 118.350 119.727 -1.377 18364 9122 1 16 . 1 1 83 83 GLU HA H 83 4.133 4.133 4.333 -0.200 18364 9123 1 16 . 1 1 83 83 GLU CA C 83 53.267 53.267 55.912 -2.645 18364 9124 1 16 . 1 1 83 83 GLU CB C 83 27.763 27.763 30.497 -2.734 18364 9125 1 16 . 1 1 83 83 GLU H H 83 8.381 8.381 8.665 -0.284 18364 9126 1 16 . 1 1 84 84 ALA N N 84 121.665 121.665 123.056 -1.391 18364 9127 1 16 . 1 1 84 84 ALA HA H 84 3.542 3.542 3.980 -0.438 18364 9128 1 16 . 1 1 84 84 ALA CA C 84 50.621 50.621 53.743 -3.122 18364 9129 1 16 . 1 1 84 84 ALA CB C 84 16.540 16.540 18.636 -2.096 18364 9130 1 16 . 1 1 84 84 ALA H H 84 8.482 8.482 8.435 0.047 18364 9131 1 16 . 1 1 85 85 GLY N N 85 108.356 108.356 109.458 -1.102 18364 9132 1 16 . 1 1 85 85 GLY CA C 85 42.955 42.955 45.123 -2.168 18364 9133 1 16 . 1 1 85 85 GLY H H 85 8.078 8.078 8.677 -0.599 18364 9134 1 16 . 1 1 86 86 LYS N N 86 121.491 121.491 121.008 0.483 18364 9135 1 16 . 1 1 86 86 LYS HA H 86 4.638 4.638 4.406 0.232 18364 9136 1 16 . 1 1 86 86 LYS CA C 86 51.073 51.073 56.465 -5.392 18364 9137 1 16 . 1 1 86 86 LYS CB C 86 29.750 29.750 33.034 -3.284 18364 9138 1 16 . 1 1 86 86 LYS H H 86 8.225 8.225 7.820 0.405 18364 9139 1 16 . 1 1 87 87 ARG N N 87 121.874 121.874 116.923 4.951 18364 9140 1 16 . 1 1 87 87 ARG HA H 87 5.673 5.673 5.540 0.133 18364 9141 1 16 . 1 1 87 87 ARG CA C 87 52.139 52.139 54.548 -2.409 18364 9142 1 16 . 1 1 87 87 ARG CB C 87 32.163 32.163 34.396 -2.233 18364 9143 1 16 . 1 1 87 87 ARG H H 87 9.979 9.979 9.251 0.729 18364 9144 1 16 . 1 1 88 88 LEU N N 88 125.264 125.264 119.185 6.079 18364 9145 1 16 . 1 1 88 88 LEU HA H 88 4.562 4.562 5.117 -0.555 18364 9146 1 16 . 1 1 88 88 LEU CA C 88 50.284 50.284 55.145 -4.861 18364 9147 1 16 . 1 1 88 88 LEU CB C 88 42.309 42.309 47.021 -4.712 18364 9148 1 16 . 1 1 88 88 LEU H H 88 8.756 8.756 8.286 0.470 18364 9149 1 16 . 1 1 89 89 HIS N N 89 125.453 125.453 121.926 3.527 18364 9150 1 16 . 1 1 89 89 HIS HA H 89 5.188 5.188 5.253 -0.065 18364 9151 1 16 . 1 1 89 89 HIS CA C 89 51.389 51.389 55.255 -3.866 18364 9152 1 16 . 1 1 89 89 HIS CB C 89 27.731 27.731 32.955 -5.224 18364 9153 1 16 . 1 1 89 89 HIS H H 89 8.910 8.910 8.758 0.152 18364 9154 1 16 . 1 1 90 90 ILE N N 90 126.486 126.486 127.763 -1.277 18364 9155 1 16 . 1 1 90 90 ILE HA H 90 5.020 5.020 4.834 0.186 18364 9156 1 16 . 1 1 90 90 ILE CA C 90 55.642 55.642 60.188 -4.546 18364 9157 1 16 . 1 1 90 90 ILE CB C 90 38.696 38.696 41.109 -2.413 18364 9158 1 16 . 1 1 90 90 ILE H H 90 8.689 8.689 8.762 -0.073 18364 9159 1 16 . 1 1 91 91 THR N N 91 123.200 123.200 121.505 1.695 18364 9160 1 16 . 1 1 91 91 THR HA H 91 5.017 5.017 4.923 0.094 18364 9161 1 16 . 1 1 91 91 THR CA C 91 58.555 58.555 61.497 -2.942 18364 9162 1 16 . 1 1 91 91 THR CB C 91 68.702 68.702 70.825 -2.123 18364 9163 1 16 . 1 1 91 91 THR H H 91 8.636 8.636 8.588 0.048 18364 9164 1 16 . 1 1 92 92 VAL N N 92 127.071 127.071 122.714 4.357 18364 9165 1 16 . 1 1 92 92 VAL HA H 92 5.018 5.018 4.908 0.110 18364 9166 1 16 . 1 1 92 92 VAL CA C 92 57.969 57.969 61.377 -3.408 18364 9167 1 16 . 1 1 92 92 VAL CB C 92 31.323 31.323 33.277 -1.954 18364 9168 1 16 . 1 1 92 92 VAL H H 92 9.162 9.162 9.197 -0.035 18364 9169 1 16 . 1 1 93 93 ILE N N 93 127.095 127.095 125.691 1.404 18364 9170 1 16 . 1 1 93 93 ILE HA H 93 4.461 4.461 5.067 -0.606 18364 9171 1 16 . 1 1 93 93 ILE CA C 93 57.972 57.972 59.379 -1.407 18364 9172 1 16 . 1 1 93 93 ILE CB C 93 38.929 38.929 42.413 -3.483 18364 9173 1 16 . 1 1 93 93 ILE H H 93 9.313 9.313 8.638 0.675 18364 9174 1 16 . 1 1 94 94 GLY N N 94 111.893 111.893 109.961 1.932 18364 9175 1 16 . 1 1 94 94 GLY CA C 94 41.781 41.781 44.123 -2.342 18364 9176 1 16 . 1 1 94 94 GLY H H 94 8.577 8.577 8.449 0.128 18364 9177 1 16 . 1 1 95 95 TYR N N 95 123.099 123.099 119.103 3.996 18364 9178 1 16 . 1 1 95 95 TYR HA H 95 5.399 5.399 5.612 -0.213 18364 9179 1 16 . 1 1 95 95 TYR CA C 95 54.052 54.052 56.538 -2.486 18364 9180 1 16 . 1 1 95 95 TYR CB C 95 41.285 41.285 43.643 -2.358 18364 9181 1 16 . 1 1 95 95 TYR H H 95 9.640 9.640 9.262 0.378 18364 9182 1 16 . 1 1 96 96 ILE N N 96 116.705 116.705 119.264 -2.559 18364 9183 1 16 . 1 1 96 96 ILE HA H 96 4.208 4.208 4.669 -0.461 18364 9184 1 16 . 1 1 96 96 ILE CA C 96 58.977 58.977 60.496 -1.519 18364 9185 1 16 . 1 1 96 96 ILE CB C 96 37.245 37.245 42.433 -5.188 18364 9186 1 16 . 1 1 96 96 ILE H H 96 8.270 8.270 8.847 -0.577 18364 9187 1 16 . 1 1 97 97 ASP N N 97 130.442 130.442 128.391 2.051 18364 9188 1 16 . 1 1 97 97 ASP HA H 97 4.165 4.165 4.221 -0.056 18364 9189 1 16 . 1 1 97 97 ASP CA C 97 53.736 53.736 55.592 -1.856 18364 9190 1 16 . 1 1 97 97 ASP CB C 97 36.870 36.870 40.044 -3.174 18364 9191 1 16 . 1 1 97 97 ASP H H 97 9.849 9.849 8.903 0.946 18364 9192 1 16 . 1 1 98 98 ASP N N 98 114.957 114.957 116.635 -1.678 18364 9193 1 16 . 1 1 98 98 ASP HA H 98 4.694 4.694 4.331 0.363 18364 9194 1 16 . 1 1 98 98 ASP CB C 98 36.266 36.266 40.530 -4.264 18364 9195 1 16 . 1 1 98 98 ASP H H 98 8.355 8.355 8.747 -0.392 18364 9196 1 16 . 1 1 99 99 LYS N N 99 121.680 121.680 118.520 3.160 18364 9197 1 16 . 1 1 99 99 LYS HA H 99 4.590 4.590 4.727 -0.137 18364 9198 1 16 . 1 1 99 99 LYS CA C 99 52.354 52.354 54.268 -1.914 18364 9199 1 16 . 1 1 99 99 LYS CB C 99 30.958 30.958 35.264 -4.306 18364 9200 1 16 . 1 1 99 99 LYS H H 99 8.049 8.049 7.993 0.056 18364 9201 1 16 . 1 1 100 100 GLU N N 100 127.574 127.574 123.684 3.890 18364 9202 1 16 . 1 1 100 100 GLU HA H 100 3.804 3.804 4.254 -0.450 18364 9203 1 16 . 1 1 100 100 GLU CA C 100 54.562 54.562 55.949 -1.387 18364 9204 1 16 . 1 1 100 100 GLU CB C 100 26.808 26.808 29.972 -3.164 18364 9205 1 16 . 1 1 100 100 GLU H H 100 8.839 8.839 8.767 0.072 18364 9206 1 16 . 1 1 101 101 VAL N N 101 120.606 120.606 121.507 -0.901 18364 9207 1 16 . 1 1 101 101 VAL HA H 101 4.534 4.534 4.510 0.024 18364 9208 1 16 . 1 1 101 101 VAL CA C 101 58.379 58.379 61.694 -3.315 18364 9209 1 16 . 1 1 101 101 VAL CB C 101 31.223 31.223 33.363 -2.140 18364 9210 1 16 . 1 1 101 101 VAL H H 101 8.997 8.997 8.592 0.405 18364 9211 1 16 . 1 1 102 102 ASN N N 102 118.568 118.568 119.776 -1.208 18364 9212 1 16 . 1 1 102 102 ASN HA H 102 4.782 4.782 4.854 -0.072 18364 9213 1 16 . 1 1 102 102 ASN CA C 102 50.154 50.154 53.255 -3.101 18364 9214 1 16 . 1 1 102 102 ASN CB C 102 38.848 38.848 41.644 -2.796 18364 9215 1 16 . 1 1 102 102 ASN H H 102 7.598 7.598 7.603 -0.005 18364 9216 1 16 . 1 1 103 103 ARG N N 103 120.366 120.366 120.462 -0.096 18364 9217 1 16 . 1 1 103 103 ARG HA H 103 5.051 5.051 5.188 -0.137 18364 9218 1 16 . 1 1 103 103 ARG CA C 103 52.900 52.900 55.396 -2.496 18364 9219 1 16 . 1 1 103 103 ARG CB C 103 31.710 31.710 31.933 -0.223 18364 9220 1 16 . 1 1 103 103 ARG H H 103 8.155 8.155 8.412 -0.257 18364 9221 1 16 . 1 1 104 104 LEU N N 104 128.859 128.859 120.253 8.606 18364 9222 1 16 . 1 1 104 104 LEU HA H 104 4.553 4.553 5.051 -0.498 18364 9223 1 16 . 1 1 104 104 LEU CA C 104 51.272 51.272 53.537 -2.265 18364 9224 1 16 . 1 1 104 104 LEU CB C 104 43.549 43.549 45.908 -2.359 18364 9225 1 16 . 1 1 104 104 LEU H H 104 9.271 9.271 8.892 0.379 18364 9226 1 16 . 1 1 105 105 GLU N N 105 125.663 125.663 118.856 6.807 18364 9227 1 16 . 1 1 105 105 GLU HA H 105 5.179 5.179 5.155 0.024 18364 9228 1 16 . 1 1 105 105 GLU CA C 105 51.966 51.966 55.050 -3.084 18364 9229 1 16 . 1 1 105 105 GLU CB C 105 29.358 29.358 33.190 -3.832 18364 9230 1 16 . 1 1 105 105 GLU H H 105 8.346 8.346 8.429 -0.083 18364 9231 1 16 . 1 1 106 106 LYS N N 106 123.659 123.659 119.481 4.178 18364 9232 1 16 . 1 1 106 106 LYS HA H 106 4.281 4.281 4.357 -0.076 18364 9233 1 16 . 1 1 106 106 LYS CA C 106 51.118 51.118 55.084 -3.966 18364 9234 1 16 . 1 1 106 106 LYS CB C 106 34.761 34.761 36.431 -1.670 18364 9235 1 16 . 1 1 106 106 LYS H H 106 8.526 8.526 8.341 0.185 18364 9236 1 16 . 1 1 107 107 GLU N N 107 121.917 121.917 121.479 0.438 18364 9237 1 16 . 1 1 107 107 GLU HA H 107 4.949 4.949 4.639 0.309 18364 9238 1 16 . 1 1 107 107 GLU CA C 107 51.404 51.404 55.609 -4.205 18364 9239 1 16 . 1 1 107 107 GLU CB C 107 29.906 29.906 31.253 -1.347 18364 9240 1 16 . 1 1 107 107 GLU H H 107 7.773 7.773 8.040 -0.267 18364 9241 1 16 . 1 1 108 108 TYR N N 108 124.981 124.981 124.393 0.588 18364 9242 1 16 . 1 1 108 108 TYR HA H 108 4.720 4.720 4.743 -0.023 18364 9243 1 16 . 1 1 108 108 TYR CA C 108 54.188 54.188 56.603 -2.415 18364 9244 1 16 . 1 1 108 108 TYR CB C 108 39.101 39.101 41.612 -2.511 18364 9245 1 16 . 1 1 108 108 TYR H H 108 9.031 9.031 8.062 0.969 18364 9246 1 16 . 1 1 109 109 ILE N N 109 121.680 121.680 119.535 2.145 18364 9247 1 16 . 1 1 109 109 ILE HA H 109 5.471 5.471 4.970 0.501 18364 9248 1 16 . 1 1 109 109 ILE CA C 109 56.592 56.592 59.880 -3.288 18364 9249 1 16 . 1 1 109 109 ILE CB C 109 38.728 38.728 42.860 -4.132 18364 9250 1 16 . 1 1 109 109 ILE H H 109 8.475 8.475 8.282 0.193 18364 9251 1 16 . 1 1 110 110 THR N N 110 117.537 117.537 113.864 3.673 18364 9252 1 16 . 1 1 110 110 THR HA H 110 4.521 4.521 4.668 -0.147 18364 9253 1 16 . 1 1 110 110 THR CA C 110 59.337 59.337 60.948 -1.611 18364 9254 1 16 . 1 1 110 110 THR CB C 110 67.143 67.143 70.761 -3.618 18364 9255 1 16 . 1 1 110 110 THR H H 110 9.180 9.180 8.472 0.708 18364 9256 1 16 . 1 1 111 111 ASP N N 111 122.428 122.428 123.495 -1.067 18364 9257 1 16 . 1 1 111 111 ASP HA H 111 4.721 4.721 4.778 -0.057 18364 9258 1 16 . 1 1 111 111 ASP CA C 111 50.135 50.135 53.934 -3.799 18364 9259 1 16 . 1 1 111 111 ASP CB C 111 39.613 39.613 41.017 -1.404 18364 9260 1 16 . 1 1 111 111 ASP H H 111 9.342 9.342 8.891 0.451 18364 9261 1 16 . 1 1 112 112 GLY N N 112 110.714 110.714 106.980 3.734 18364 9262 1 16 . 1 1 112 112 GLY CA C 112 43.084 43.084 45.103 -2.019 18364 9263 1 16 . 1 1 112 112 GLY H H 112 8.333 8.333 8.342 -0.009 18364 9264 1 16 . 1 1 113 113 ASN N N 113 119.462 119.462 118.917 0.545 18364 9265 1 16 . 1 1 113 113 ASN HA H 113 4.926 4.926 4.766 0.160 18364 9266 1 16 . 1 1 113 113 ASN CA C 113 49.373 49.373 52.765 -3.392 18364 9267 1 16 . 1 1 113 113 ASN CB C 113 37.377 37.377 38.624 -1.247 18364 9268 1 16 . 1 1 113 113 ASN H H 113 8.210 8.210 7.873 0.337 18364 9269 1 16 . 1 1 114 114 THR N N 114 117.962 117.962 112.789 5.173 18364 9270 1 16 . 1 1 114 114 THR HA H 114 4.136 4.136 4.144 -0.008 18364 9271 1 16 . 1 1 114 114 THR CA C 114 62.066 62.066 62.286 -0.220 18364 9272 1 16 . 1 1 114 114 THR CB C 114 66.489 66.489 68.852 -2.363 18364 9273 1 16 . 1 1 114 114 THR H H 114 8.436 8.436 8.348 0.088 18364 9274 1 16 . 1 1 115 115 LEU N N 115 132.998 132.998 128.839 4.159 18364 9275 1 16 . 1 1 115 115 LEU HA H 115 4.607 4.607 4.360 0.247 18364 9276 1 16 . 1 1 115 115 LEU CA C 115 52.335 52.335 55.773 -3.438 18364 9277 1 16 . 1 1 115 115 LEU CB C 115 41.546 41.546 42.901 -1.355 18364 9278 1 16 . 1 1 115 115 LEU H H 115 8.789 8.789 7.974 0.815 18364 9279 1 16 . 1 1 116 116 ILE N N 116 126.586 126.586 124.017 2.569 18364 9280 1 16 . 1 1 116 116 ILE HA H 116 4.784 4.784 4.842 -0.058 18364 9281 1 16 . 1 1 116 116 ILE CA C 116 58.270 58.270 60.270 -2.000 18364 9282 1 16 . 1 1 116 116 ILE CB C 116 37.909 37.909 42.360 -4.451 18364 9283 1 16 . 1 1 116 116 ILE H H 116 8.637 8.637 8.109 0.528 18364 9284 1 16 . 1 1 117 117 GLU N N 117 127.084 127.084 122.336 4.748 18364 9285 1 16 . 1 1 117 117 GLU HA H 117 4.830 4.830 4.768 0.062 18364 9286 1 16 . 1 1 117 117 GLU CA C 117 51.847 51.847 54.671 -2.824 18364 9287 1 16 . 1 1 117 117 GLU CB C 117 32.299 32.299 34.553 -2.254 18364 9288 1 16 . 1 1 117 117 GLU H H 117 8.933 8.933 8.684 0.249 18364 9289 1 16 . 1 1 118 118 THR N N 118 110.826 110.826 112.196 -1.370 18364 9290 1 16 . 1 1 118 118 THR HA H 118 5.190 5.190 5.357 -0.167 18364 9291 1 16 . 1 1 118 118 THR CA C 118 57.036 57.036 60.691 -3.655 18364 9292 1 16 . 1 1 118 118 THR CB C 118 69.888 69.888 71.554 -1.666 18364 9293 1 16 . 1 1 118 118 THR H H 118 8.664 8.664 8.491 0.173 18364 9294 1 16 . 1 1 119 119 PHE N N 119 115.915 115.915 116.462 -0.547 18364 9295 1 16 . 1 1 119 119 PHE HA H 119 4.999 4.999 5.065 -0.066 18364 9296 1 16 . 1 1 119 119 PHE CA C 119 53.804 53.804 56.957 -3.153 18364 9297 1 16 . 1 1 119 119 PHE CB C 119 39.787 39.787 41.095 -1.308 18364 9298 1 16 . 1 1 119 119 PHE H H 119 8.087 8.087 8.560 -0.473 18364 9299 1 16 . 1 1 120 120 SER N N 120 114.953 114.953 114.465 0.488 18364 9300 1 16 . 1 1 120 120 SER HA H 120 5.383 5.383 4.697 0.686 18364 9301 1 16 . 1 1 120 120 SER CA C 120 55.192 55.192 58.341 -3.149 18364 9302 1 16 . 1 1 120 120 SER CB C 120 62.113 62.113 65.650 -3.537 18364 9303 1 16 . 1 1 120 120 SER H H 120 8.627 8.627 8.414 0.213 18364 9304 1 16 . 1 1 121 121 VAL N N 121 124.122 124.122 121.452 2.670 18364 9305 1 16 . 1 1 121 121 VAL HA H 121 4.349 4.349 4.460 -0.111 18364 9306 1 16 . 1 1 121 121 VAL CA C 121 59.005 59.005 62.437 -3.432 18364 9307 1 16 . 1 1 121 121 VAL CB C 121 34.127 34.127 35.388 -1.261 18364 9308 1 16 . 1 1 121 121 VAL H H 121 8.866 8.866 8.473 0.393 18364 9309 1 16 . 1 1 122 122 SER N N 122 119.703 119.703 121.845 -2.142 18364 9310 1 16 . 1 1 122 122 SER HA H 122 5.598 5.598 5.288 0.310 18364 9311 1 16 . 1 1 122 122 SER CA C 122 53.065 53.065 57.056 -3.991 18364 9312 1 16 . 1 1 122 122 SER CB C 122 63.442 63.442 64.917 -1.475 18364 9313 1 16 . 1 1 122 122 SER H H 122 8.334 8.334 8.418 -0.084 18364 9314 1 16 . 1 1 123 123 THR N N 123 113.276 113.276 114.050 -0.774 18364 9315 1 16 . 1 1 123 123 THR HA H 123 4.093 4.093 4.483 -0.390 18364 9316 1 16 . 1 1 123 123 THR CA C 123 60.143 60.143 61.518 -1.375 18364 9317 1 16 . 1 1 123 123 THR CB C 123 64.437 64.437 68.463 -4.026 18364 9318 1 16 . 1 1 123 123 THR H H 123 8.898 8.898 9.092 -0.194 18364 9319 1 16 . 1 1 124 124 LYS N N 124 119.191 119.191 120.005 -0.814 18364 9320 1 16 . 1 1 124 124 LYS HA H 124 4.324 4.324 4.433 -0.109 18364 9321 1 16 . 1 1 124 124 LYS CA C 124 53.486 53.486 56.601 -3.115 18364 9322 1 16 . 1 1 124 124 LYS CB C 124 32.376 32.376 35.908 -3.532 18364 9323 1 16 . 1 1 124 124 LYS H H 124 7.569 7.569 7.333 0.236 18364 9324 1 16 . 1 1 125 125 GLU N N 125 124.243 124.243 122.982 1.261 18364 9325 1 16 . 1 1 125 125 GLU HA H 125 4.255 4.255 4.484 -0.229 18364 9326 1 16 . 1 1 125 125 GLU CA C 125 53.830 53.830 55.841 -2.011 18364 9327 1 16 . 1 1 125 125 GLU CB C 125 27.674 27.674 30.810 -3.136 18364 9328 1 16 . 1 1 125 125 GLU H H 125 8.359 8.359 8.366 -0.007 18364 9329 1 17 . 1 1 2 2 ALA CA C 2 50.698 50.698 51.772 -1.074 18364 9330 1 17 . 1 1 2 2 ALA CB C 2 16.688 16.688 20.264 -3.576 18364 9331 1 17 . 1 1 3 3 SER N N 3 113.663 113.663 115.456 -1.793 18364 9332 1 17 . 1 1 3 3 SER HA H 3 4.296 4.296 4.559 -0.263 18364 9333 1 17 . 1 1 3 3 SER CA C 3 55.573 55.573 58.374 -2.801 18364 9334 1 17 . 1 1 3 3 SER CB C 3 60.888 60.888 63.467 -2.579 18364 9335 1 17 . 1 1 3 3 SER H H 3 8.301 8.301 8.711 -0.410 18364 9336 1 17 . 1 1 4 4 ASP N N 4 121.532 121.532 121.125 0.407 18364 9337 1 17 . 1 1 4 4 ASP HA H 4 4.394 4.394 4.751 -0.357 18364 9338 1 17 . 1 1 4 4 ASP CA C 4 51.748 51.748 53.492 -1.744 18364 9339 1 17 . 1 1 4 4 ASP CB C 4 38.614 38.614 40.840 -2.226 18364 9340 1 17 . 1 1 4 4 ASP H H 4 7.874 7.874 8.270 -0.396 18364 9341 1 17 . 1 1 5 5 PHE N N 5 119.126 119.126 122.359 -3.233 18364 9342 1 17 . 1 1 5 5 PHE HA H 5 4.535 4.535 4.778 -0.243 18364 9343 1 17 . 1 1 5 5 PHE CA C 5 54.589 54.589 56.390 -1.801 18364 9344 1 17 . 1 1 5 5 PHE CB C 5 37.079 37.079 38.307 -1.228 18364 9345 1 17 . 1 1 5 5 PHE H H 5 7.832 7.832 8.385 -0.553 18364 9346 1 17 . 1 1 6 6 GLN N N 6 122.092 122.092 120.377 1.715 18364 9347 1 17 . 1 1 6 6 GLN HA H 6 4.417 4.417 4.724 -0.307 18364 9348 1 17 . 1 1 6 6 GLN CA C 6 53.128 53.128 55.131 -2.003 18364 9349 1 17 . 1 1 6 6 GLN CB C 6 27.477 27.477 29.833 -2.356 18364 9350 1 17 . 1 1 6 6 GLN H H 6 8.447 8.447 7.709 0.738 18364 9351 1 17 . 1 1 7 7 THR N N 7 114.717 114.717 112.379 2.338 18364 9352 1 17 . 1 1 7 7 THR HA H 7 5.035 5.035 4.956 0.079 18364 9353 1 17 . 1 1 7 7 THR CA C 7 57.906 57.906 59.634 -1.728 18364 9354 1 17 . 1 1 7 7 THR CB C 7 68.370 68.370 71.711 -3.341 18364 9355 1 17 . 1 1 7 7 THR H H 7 8.145 8.145 8.093 0.052 18364 9356 1 17 . 1 1 8 8 GLY N N 8 111.628 111.628 108.421 3.207 18364 9357 1 17 . 1 1 8 8 GLY CA C 8 43.774 43.774 45.232 -1.458 18364 9358 1 17 . 1 1 8 8 GLY H H 8 9.234 9.234 8.667 0.567 18364 9359 1 17 . 1 1 9 9 ILE N N 9 119.585 119.585 122.290 -2.705 18364 9360 1 17 . 1 1 9 9 ILE HA H 9 3.934 3.934 4.489 -0.555 18364 9361 1 17 . 1 1 9 9 ILE CA C 9 58.907 58.907 60.230 -1.323 18364 9362 1 17 . 1 1 9 9 ILE CB C 9 35.738 35.738 39.713 -3.975 18364 9363 1 17 . 1 1 9 9 ILE H H 9 8.603 8.603 8.037 0.566 18364 9364 1 17 . 1 1 10 10 HIS N N 10 133.616 133.616 127.760 5.856 18364 9365 1 17 . 1 1 10 10 HIS HA H 10 5.185 5.185 5.096 0.089 18364 9366 1 17 . 1 1 10 10 HIS CA C 10 53.587 53.587 56.148 -2.561 18364 9367 1 17 . 1 1 10 10 HIS CB C 10 30.817 30.817 30.990 -0.173 18364 9368 1 17 . 1 1 10 10 HIS H H 10 8.599 8.599 8.426 0.173 18364 9369 1 17 . 1 1 11 11 LYS N N 11 122.949 122.949 120.511 2.438 18364 9370 1 17 . 1 1 11 11 LYS HA H 11 5.236 5.236 5.297 -0.061 18364 9371 1 17 . 1 1 11 11 LYS CA C 11 52.748 52.748 54.947 -2.200 18364 9372 1 17 . 1 1 11 11 LYS CB C 11 35.137 35.137 37.158 -2.021 18364 9373 1 17 . 1 1 11 11 LYS H H 11 8.775 8.775 8.700 0.075 18364 9374 1 17 . 1 1 12 12 ILE N N 12 125.260 125.260 120.689 4.571 18364 9375 1 17 . 1 1 12 12 ILE HA H 12 5.273 5.273 4.984 0.289 18364 9376 1 17 . 1 1 12 12 ILE CA C 12 55.780 55.780 59.276 -3.497 18364 9377 1 17 . 1 1 12 12 ILE CB C 12 38.767 38.767 42.983 -4.216 18364 9378 1 17 . 1 1 12 12 ILE H H 12 8.578 8.578 9.022 -0.444 18364 9379 1 17 . 1 1 13 13 VAL N N 13 126.515 126.515 125.486 1.029 18364 9380 1 17 . 1 1 13 13 VAL HA H 13 4.795 4.795 4.767 0.028 18364 9381 1 17 . 1 1 13 13 VAL CA C 13 58.115 58.115 60.893 -2.778 18364 9382 1 17 . 1 1 13 13 VAL CB C 13 32.948 32.948 34.662 -1.714 18364 9383 1 17 . 1 1 13 13 VAL H H 13 9.052 9.052 9.092 -0.040 18364 9384 1 17 . 1 1 14 14 ILE N N 14 125.803 125.803 127.315 -1.512 18364 9385 1 17 . 1 1 14 14 ILE HA H 14 5.008 5.008 4.961 0.047 18364 9386 1 17 . 1 1 14 14 ILE CA C 14 57.539 57.539 60.288 -2.749 18364 9387 1 17 . 1 1 14 14 ILE CB C 14 38.656 38.656 41.610 -2.954 18364 9388 1 17 . 1 1 14 14 ILE H H 14 8.974 8.974 8.854 0.120 18364 9389 1 17 . 1 1 15 15 GLN N N 15 125.773 125.773 123.554 2.219 18364 9390 1 17 . 1 1 15 15 GLN HA H 15 5.433 5.433 5.108 0.325 18364 9391 1 17 . 1 1 15 15 GLN CA C 15 51.002 51.002 54.273 -3.271 18364 9392 1 17 . 1 1 15 15 GLN CB C 15 29.637 29.637 33.724 -4.087 18364 9393 1 17 . 1 1 15 15 GLN H H 15 9.244 9.244 9.166 0.078 18364 9394 1 17 . 1 1 16 16 GLN N N 16 119.832 119.832 119.128 0.704 18364 9395 1 17 . 1 1 16 16 GLN HA H 16 5.741 5.741 5.403 0.338 18364 9396 1 17 . 1 1 16 16 GLN CA C 16 50.572 50.572 54.311 -3.739 18364 9397 1 17 . 1 1 16 16 GLN CB C 16 30.039 30.039 32.856 -2.817 18364 9398 1 17 . 1 1 16 16 GLN H H 16 8.964 8.964 8.657 0.307 18364 9399 1 17 . 1 1 17 17 SER N N 17 115.201 115.201 116.404 -1.203 18364 9400 1 17 . 1 1 17 17 SER HA H 17 4.526 4.526 5.037 -0.511 18364 9401 1 17 . 1 1 17 17 SER CA C 17 54.831 54.831 57.610 -2.779 18364 9402 1 17 . 1 1 17 17 SER CB C 17 62.930 62.930 66.087 -3.157 18364 9403 1 17 . 1 1 17 17 SER H H 17 8.770 8.770 8.701 0.069 18364 9404 1 17 . 1 1 18 18 GLY N N 18 109.321 109.321 110.454 -1.133 18364 9405 1 17 . 1 1 18 18 GLY CA C 18 41.737 41.737 45.024 -3.287 18364 9406 1 17 . 1 1 18 18 GLY H H 18 8.798 8.798 8.154 0.644 18364 9407 1 17 . 1 1 19 19 ASP N N 19 128.121 128.121 123.353 4.768 18364 9408 1 17 . 1 1 19 19 ASP HA H 19 5.071 5.071 4.956 0.115 18364 9409 1 17 . 1 1 19 19 ASP CA C 19 51.251 51.251 52.507 -1.256 18364 9410 1 17 . 1 1 19 19 ASP CB C 19 37.872 37.872 40.097 -2.225 18364 9411 1 17 . 1 1 19 19 ASP H H 19 9.708 9.708 8.576 1.132 18364 9412 1 17 . 1 1 20 20 THR N N 20 111.610 111.610 115.717 -4.107 18364 9413 1 17 . 1 1 20 20 THR HA H 20 3.615 3.615 4.320 -0.705 18364 9414 1 17 . 1 1 20 20 THR CA C 20 63.331 63.331 63.479 -0.148 18364 9415 1 17 . 1 1 20 20 THR CB C 20 64.873 64.873 68.058 -3.185 18364 9416 1 17 . 1 1 20 20 THR H H 20 8.136 8.136 8.017 0.119 18364 9417 1 17 . 1 1 21 21 ASP N N 21 118.304 118.304 119.606 -1.302 18364 9418 1 17 . 1 1 21 21 ASP HA H 21 4.639 4.639 4.968 -0.329 18364 9419 1 17 . 1 1 21 21 ASP CA C 21 52.945 52.945 54.715 -1.770 18364 9420 1 17 . 1 1 21 21 ASP CB C 21 37.785 37.785 42.813 -5.029 18364 9421 1 17 . 1 1 21 21 ASP H H 21 8.566 8.566 8.128 0.438 18364 9422 1 17 . 1 1 22 22 SER N N 22 114.253 114.253 114.786 -0.533 18364 9423 1 17 . 1 1 22 22 SER HA H 22 4.384 4.384 4.443 -0.059 18364 9424 1 17 . 1 1 22 22 SER CA C 22 57.170 57.170 58.966 -1.796 18364 9425 1 17 . 1 1 22 22 SER CB C 22 61.441 61.441 63.635 -2.194 18364 9426 1 17 . 1 1 22 22 SER H H 22 8.076 8.076 7.872 0.204 18364 9427 1 17 . 1 1 23 23 PHE N N 23 119.853 119.853 118.716 1.137 18364 9428 1 17 . 1 1 23 23 PHE HA H 23 5.010 5.010 5.108 -0.098 18364 9429 1 17 . 1 1 23 23 PHE CA C 23 53.272 53.272 56.483 -3.211 18364 9430 1 17 . 1 1 23 23 PHE CB C 23 42.021 42.021 42.483 -0.462 18364 9431 1 17 . 1 1 23 23 PHE H H 23 7.611 7.611 7.664 -0.053 18364 9432 1 17 . 1 1 24 24 GLU N N 24 119.255 119.255 120.564 -1.309 18364 9433 1 17 . 1 1 24 24 GLU HA H 24 4.571 4.571 4.678 -0.107 18364 9434 1 17 . 1 1 24 24 GLU CA C 24 52.642 52.642 55.212 -2.570 18364 9435 1 17 . 1 1 24 24 GLU CB C 24 28.881 28.881 32.755 -3.874 18364 9436 1 17 . 1 1 24 24 GLU H H 24 8.958 8.958 8.569 0.389 18364 9437 1 17 . 1 1 25 25 VAL N N 25 130.637 130.637 126.826 3.811 18364 9438 1 17 . 1 1 25 25 VAL HA H 25 4.859 4.859 4.815 0.044 18364 9439 1 17 . 1 1 25 25 VAL CA C 25 58.548 58.548 61.312 -2.764 18364 9440 1 17 . 1 1 25 25 VAL CB C 25 30.439 30.439 32.984 -2.545 18364 9441 1 17 . 1 1 25 25 VAL H H 25 9.678 9.678 8.690 0.988 18364 9442 1 17 . 1 1 26 26 SER N N 26 122.555 122.555 123.917 -1.362 18364 9443 1 17 . 1 1 26 26 SER HA H 26 5.289 5.289 5.274 0.015 18364 9444 1 17 . 1 1 26 26 SER CA C 26 54.088 54.088 56.636 -2.548 18364 9445 1 17 . 1 1 26 26 SER CB C 26 62.476 62.476 63.989 -1.513 18364 9446 1 17 . 1 1 26 26 SER H H 26 8.883 8.883 8.135 0.748 18364 9447 1 17 . 1 1 27 27 VAL N N 27 113.682 113.682 121.173 -7.491 18364 9448 1 17 . 1 1 27 27 VAL HA H 27 5.269 5.269 4.232 1.037 18364 9449 1 17 . 1 1 27 27 VAL CA C 27 56.005 56.005 59.944 -3.938 18364 9450 1 17 . 1 1 27 27 VAL CB C 27 34.158 34.158 31.659 2.499 18364 9451 1 17 . 1 1 27 27 VAL H H 27 8.493 8.493 8.958 -0.465 18364 9452 1 17 . 1 1 28 28 SER N N 28 116.852 116.852 122.311 -5.459 18364 9453 1 17 . 1 1 28 28 SER HA H 28 5.410 5.410 4.566 0.844 18364 9454 1 17 . 1 1 28 28 SER CA C 28 54.633 54.633 59.462 -4.829 18364 9455 1 17 . 1 1 28 28 SER CB C 28 62.095 62.095 63.694 -1.599 18364 9456 1 17 . 1 1 28 28 SER H H 28 8.709 8.709 8.372 0.337 18364 9457 1 17 . 1 1 29 29 ILE N N 29 128.765 128.765 126.310 2.455 18364 9458 1 17 . 1 1 29 29 ILE HA H 29 5.224 5.224 4.749 0.475 18364 9459 1 17 . 1 1 29 29 ILE CA C 29 57.247 57.247 59.833 -2.586 18364 9460 1 17 . 1 1 29 29 ILE CB C 29 39.144 39.144 40.617 -1.473 18364 9461 1 17 . 1 1 29 29 ILE H H 29 9.631 9.631 8.502 1.129 18364 9462 1 17 . 1 1 30 30 GLY N N 30 112.478 112.478 112.737 -0.259 18364 9463 1 17 . 1 1 30 30 GLY CA C 30 42.140 42.140 44.364 -2.224 18364 9464 1 17 . 1 1 30 30 GLY H H 30 8.095 8.095 7.857 0.238 18364 9465 1 17 . 1 1 31 31 GLY N N 31 108.502 108.502 104.687 3.815 18364 9466 1 17 . 1 1 31 31 GLY CA C 31 43.201 43.201 45.208 -2.007 18364 9467 1 17 . 1 1 31 31 GLY H H 31 9.755 9.755 8.100 1.655 18364 9468 1 17 . 1 1 32 32 ALA N N 32 122.020 122.020 120.450 1.570 18364 9469 1 17 . 1 1 32 32 ALA HA H 32 4.967 4.967 4.846 0.121 18364 9470 1 17 . 1 1 32 32 ALA CA C 32 48.540 48.540 50.486 -1.946 18364 9471 1 17 . 1 1 32 32 ALA CB C 32 21.078 21.078 22.745 -1.667 18364 9472 1 17 . 1 1 32 32 ALA H H 32 7.338 7.338 6.963 0.375 18364 9473 1 17 . 1 1 33 33 ASP N N 33 121.217 121.217 119.472 1.745 18364 9474 1 17 . 1 1 33 33 ASP HA H 33 3.680 3.680 4.731 -1.051 18364 9475 1 17 . 1 1 33 33 ASP CA C 33 49.520 49.520 51.815 -2.295 18364 9476 1 17 . 1 1 33 33 ASP CB C 33 40.840 40.840 43.373 -2.533 18364 9477 1 17 . 1 1 33 33 ASP H H 33 8.945 8.945 8.842 0.103 18364 9478 1 17 . 1 1 34 34 LYS N N 34 117.693 117.693 120.023 -2.330 18364 9479 1 17 . 1 1 34 34 LYS HA H 34 4.017 4.017 4.440 -0.423 18364 9480 1 17 . 1 1 34 34 LYS CA C 34 56.700 56.700 56.310 0.390 18364 9481 1 17 . 1 1 34 34 LYS CB C 34 29.772 29.772 31.048 -1.276 18364 9482 1 17 . 1 1 34 34 LYS H H 34 8.200 8.200 8.444 -0.244 18364 9483 1 17 . 1 1 35 35 GLY N N 35 106.697 106.697 111.240 -4.543 18364 9484 1 17 . 1 1 35 35 GLY CA C 35 42.719 42.719 44.653 -1.934 18364 9485 1 17 . 1 1 35 35 GLY H H 35 8.653 8.653 8.087 0.566 18364 9486 1 17 . 1 1 36 36 GLY N N 36 110.824 110.824 108.383 2.441 18364 9487 1 17 . 1 1 36 36 GLY CA C 36 41.099 41.099 45.019 -3.920 18364 9488 1 17 . 1 1 36 36 GLY H H 36 7.601 7.601 7.621 -0.020 18364 9489 1 17 . 1 1 37 37 PRO HA H 37 4.571 4.571 4.685 -0.114 18364 9490 1 17 . 1 1 37 37 PRO CA C 37 60.012 60.012 62.180 -2.168 18364 9491 1 17 . 1 1 37 37 PRO CB C 37 29.470 29.470 33.004 -3.534 18364 9492 1 17 . 1 1 38 38 ALA N N 38 127.841 127.841 123.650 4.191 18364 9493 1 17 . 1 1 38 38 ALA HA H 38 4.127 4.127 4.439 -0.312 18364 9494 1 17 . 1 1 38 38 ALA CA C 38 48.117 48.117 50.892 -2.775 18364 9495 1 17 . 1 1 38 38 ALA CB C 38 16.655 16.655 20.490 -3.835 18364 9496 1 17 . 1 1 38 38 ALA H H 38 7.486 7.486 8.135 -0.649 18364 9497 1 17 . 1 1 39 39 LYS N N 39 121.148 121.148 121.888 -0.740 18364 9498 1 17 . 1 1 39 39 LYS HA H 39 4.115 4.115 4.327 -0.212 18364 9499 1 17 . 1 1 39 39 LYS CA C 39 55.674 55.674 56.999 -1.325 18364 9500 1 17 . 1 1 39 39 LYS CB C 39 31.223 31.223 33.125 -1.902 18364 9501 1 17 . 1 1 39 39 LYS H H 39 8.042 8.042 8.419 -0.377 18364 9502 1 17 . 1 1 40 40 LEU N N 40 118.817 118.817 121.583 -2.766 18364 9503 1 17 . 1 1 40 40 LEU HA H 40 5.122 5.122 5.261 -0.139 18364 9504 1 17 . 1 1 40 40 LEU CA C 40 50.156 50.156 53.637 -3.481 18364 9505 1 17 . 1 1 40 40 LEU CB C 40 42.172 42.172 45.555 -3.383 18364 9506 1 17 . 1 1 40 40 LEU H H 40 7.901 7.901 8.823 -0.922 18364 9507 1 17 . 1 1 41 41 TYR N N 41 117.843 117.843 118.966 -1.123 18364 9508 1 17 . 1 1 41 41 TYR HA H 41 5.303 5.303 5.263 0.040 18364 9509 1 17 . 1 1 41 41 TYR CA C 41 53.394 53.394 56.565 -3.171 18364 9510 1 17 . 1 1 41 41 TYR CB C 41 39.419 39.419 41.638 -2.219 18364 9511 1 17 . 1 1 41 41 TYR H H 41 9.109 9.109 9.412 -0.303 18364 9512 1 17 . 1 1 42 42 ASN N N 42 117.689 117.689 119.842 -2.153 18364 9513 1 17 . 1 1 42 42 ASN HA H 42 4.984 4.984 4.898 0.086 18364 9514 1 17 . 1 1 42 42 ASN CA C 42 48.001 48.001 51.848 -3.847 18364 9515 1 17 . 1 1 42 42 ASN CB C 42 36.514 36.514 39.917 -3.403 18364 9516 1 17 . 1 1 42 42 ASN H H 42 8.239 8.239 8.680 -0.441 18364 9517 1 17 . 1 1 43 43 ASP N N 43 116.760 116.760 119.603 -2.843 18364 9518 1 17 . 1 1 43 43 ASP HA H 43 4.170 4.170 4.551 -0.381 18364 9519 1 17 . 1 1 43 43 ASP CA C 43 53.123 53.123 55.945 -2.822 18364 9520 1 17 . 1 1 43 43 ASP CB C 43 37.355 37.355 39.823 -2.468 18364 9521 1 17 . 1 1 43 43 ASP H H 43 8.650 8.650 8.781 -0.131 18364 9522 1 17 . 1 1 44 44 LYS N N 44 118.108 118.108 118.739 -0.631 18364 9523 1 17 . 1 1 44 44 LYS HA H 44 4.359 4.359 4.270 0.089 18364 9524 1 17 . 1 1 44 44 LYS CA C 44 52.676 52.676 56.169 -3.494 18364 9525 1 17 . 1 1 44 44 LYS CB C 44 30.170 30.170 32.394 -2.224 18364 9526 1 17 . 1 1 44 44 LYS H H 44 7.505 7.505 8.121 -0.616 18364 9527 1 17 . 1 1 45 45 GLY N N 45 108.163 108.163 107.689 0.474 18364 9528 1 17 . 1 1 45 45 GLY CA C 45 42.988 42.988 45.457 -2.469 18364 9529 1 17 . 1 1 45 45 GLY H H 45 8.117 8.117 8.098 0.019 18364 9530 1 17 . 1 1 46 46 GLU N N 46 120.173 120.173 119.424 0.749 18364 9531 1 17 . 1 1 46 46 GLU HA H 46 4.345 4.345 4.691 -0.346 18364 9532 1 17 . 1 1 46 46 GLU CA C 46 52.409 52.409 55.187 -2.778 18364 9533 1 17 . 1 1 46 46 GLU CB C 46 27.408 27.408 32.121 -4.713 18364 9534 1 17 . 1 1 46 46 GLU H H 46 7.884 7.884 7.834 0.050 18364 9535 1 17 . 1 1 47 47 TYR N N 47 123.803 123.803 125.661 -1.858 18364 9536 1 17 . 1 1 47 47 TYR HA H 47 4.351 4.351 4.054 0.296 18364 9537 1 17 . 1 1 47 47 TYR CA C 47 54.317 54.317 58.443 -4.126 18364 9538 1 17 . 1 1 47 47 TYR CB C 47 35.858 35.858 38.440 -2.582 18364 9539 1 17 . 1 1 47 47 TYR H H 47 8.710 8.710 8.884 -0.174 18364 9540 1 17 . 1 1 48 48 ILE N N 48 123.458 123.458 122.196 1.262 18364 9541 1 17 . 1 1 48 48 ILE HA H 48 4.173 4.173 4.267 -0.094 18364 9542 1 17 . 1 1 48 48 ILE CA C 48 58.314 58.314 59.968 -1.654 18364 9543 1 17 . 1 1 48 48 ILE CB C 48 36.129 36.129 38.209 -2.080 18364 9544 1 17 . 1 1 48 48 ILE H H 48 8.416 8.416 7.943 0.473 18364 9545 1 17 . 1 1 49 49 GLY N N 49 107.257 107.257 109.017 -1.760 18364 9546 1 17 . 1 1 49 49 GLY CA C 49 41.367 41.367 44.576 -3.209 18364 9547 1 17 . 1 1 49 49 GLY H H 49 5.472 5.472 6.343 -0.871 18364 9548 1 17 . 1 1 50 50 ASP N N 50 116.887 116.887 117.825 -0.938 18364 9549 1 17 . 1 1 50 50 ASP HA H 50 5.043 5.043 4.931 0.112 18364 9550 1 17 . 1 1 50 50 ASP CA C 50 50.588 50.588 53.307 -2.720 18364 9551 1 17 . 1 1 50 50 ASP CB C 50 37.448 37.448 41.979 -4.531 18364 9552 1 17 . 1 1 50 50 ASP H H 50 8.234 8.234 8.554 -0.320 18364 9553 1 17 . 1 1 51 51 SER N N 51 112.664 112.664 112.037 0.627 18364 9554 1 17 . 1 1 51 51 SER HA H 51 4.439 4.439 5.176 -0.737 18364 9555 1 17 . 1 1 51 51 SER CA C 51 55.489 55.489 57.218 -1.729 18364 9556 1 17 . 1 1 51 51 SER CB C 51 61.559 61.559 65.787 -4.228 18364 9557 1 17 . 1 1 51 51 SER H H 51 7.689 7.689 7.450 0.239 18364 9558 1 17 . 1 1 52 52 TYR N N 52 122.672 122.672 116.357 6.315 18364 9559 1 17 . 1 1 52 52 TYR HA H 52 4.732 4.732 4.672 0.060 18364 9560 1 17 . 1 1 52 52 TYR CA C 52 55.168 55.168 57.571 -2.403 18364 9561 1 17 . 1 1 52 52 TYR CB C 52 38.599 38.599 38.514 0.085 18364 9562 1 17 . 1 1 52 52 TYR H H 52 8.231 8.231 7.845 0.386 18364 9563 1 17 . 1 1 53 53 SER N N 53 123.803 123.803 116.294 7.509 18364 9564 1 17 . 1 1 53 53 SER HA H 53 5.429 5.429 5.624 -0.195 18364 9565 1 17 . 1 1 53 53 SER CA C 53 53.508 53.508 56.813 -3.305 18364 9566 1 17 . 1 1 53 53 SER CB C 53 61.674 61.674 66.882 -5.208 18364 9567 1 17 . 1 1 53 53 SER H H 53 8.008 8.008 8.622 -0.614 18364 9568 1 17 . 1 1 54 54 ALA N N 54 125.516 125.516 122.048 3.468 18364 9569 1 17 . 1 1 54 54 ALA HA H 54 4.289 4.289 4.760 -0.471 18364 9570 1 17 . 1 1 54 54 ALA CA C 54 49.097 49.097 51.138 -2.041 18364 9571 1 17 . 1 1 54 54 ALA CB C 54 20.259 20.259 22.261 -2.002 18364 9572 1 17 . 1 1 54 54 ALA H H 54 8.089 8.089 8.692 -0.603 18364 9573 1 17 . 1 1 55 55 GLN N N 55 118.838 118.838 120.381 -1.543 18364 9574 1 17 . 1 1 55 55 GLN HA H 55 4.975 4.975 5.339 -0.364 18364 9575 1 17 . 1 1 55 55 GLN CA C 55 52.306 52.306 53.484 -1.178 18364 9576 1 17 . 1 1 55 55 GLN CB C 55 26.138 26.138 31.644 -5.506 18364 9577 1 17 . 1 1 55 55 GLN H H 55 8.100 8.100 8.594 -0.494 18364 9578 1 17 . 1 1 56 56 ILE N N 56 124.748 124.748 126.850 -2.102 18364 9579 1 17 . 1 1 56 56 ILE HA H 56 4.246 4.246 4.147 0.099 18364 9580 1 17 . 1 1 56 56 ILE CA C 56 57.529 57.529 60.275 -2.746 18364 9581 1 17 . 1 1 56 56 ILE CB C 56 34.915 34.915 35.483 -0.568 18364 9582 1 17 . 1 1 56 56 ILE H H 56 8.910 8.910 8.705 0.205 18364 9583 1 17 . 1 1 57 57 ARG N N 57 127.183 127.183 123.380 3.803 18364 9584 1 17 . 1 1 57 57 ARG HA H 57 4.777 4.777 4.669 0.108 18364 9585 1 17 . 1 1 57 57 ARG CA C 57 52.455 52.455 54.300 -1.845 18364 9586 1 17 . 1 1 57 57 ARG CB C 57 28.839 28.839 30.811 -1.972 18364 9587 1 17 . 1 1 57 57 ARG H H 57 8.979 8.979 7.927 1.052 18364 9588 1 17 . 1 1 58 58 THR N N 58 109.995 109.995 110.664 -0.669 18364 9589 1 17 . 1 1 58 58 THR HA H 58 4.529 4.529 4.587 -0.058 18364 9590 1 17 . 1 1 58 58 THR CA C 58 57.124 57.124 60.197 -3.074 18364 9591 1 17 . 1 1 58 58 THR CB C 58 68.143 68.143 72.068 -3.925 18364 9592 1 17 . 1 1 58 58 THR H H 58 7.150 7.150 7.461 -0.311 18364 9593 1 17 . 1 1 59 59 ALA N N 59 123.143 123.143 122.965 0.178 18364 9594 1 17 . 1 1 59 59 ALA HA H 59 4.167 4.167 4.142 0.025 18364 9595 1 17 . 1 1 59 59 ALA CA C 59 52.603 52.603 54.396 -1.793 18364 9596 1 17 . 1 1 59 59 ALA CB C 59 16.910 16.910 18.958 -2.048 18364 9597 1 17 . 1 1 59 59 ALA H H 59 8.531 8.531 8.508 0.023 18364 9598 1 17 . 1 1 60 60 THR N N 60 105.988 105.988 105.918 0.070 18364 9599 1 17 . 1 1 60 60 THR HA H 60 5.471 5.471 5.075 0.396 18364 9600 1 17 . 1 1 60 60 THR CA C 60 56.904 56.904 60.905 -4.001 18364 9601 1 17 . 1 1 60 60 THR CB C 60 69.111 69.111 71.513 -2.402 18364 9602 1 17 . 1 1 60 60 THR H H 60 7.521 7.521 7.545 -0.024 18364 9603 1 17 . 1 1 61 61 MET N N 61 124.706 124.706 123.667 1.039 18364 9604 1 17 . 1 1 61 61 MET HA H 61 4.641 4.641 4.988 -0.347 18364 9605 1 17 . 1 1 61 61 MET CA C 61 52.883 52.883 53.817 -0.934 18364 9606 1 17 . 1 1 61 61 MET CB C 61 32.345 32.345 37.339 -4.994 18364 9607 1 17 . 1 1 61 61 MET H H 61 8.758 8.758 9.368 -0.610 18364 9608 1 17 . 1 1 62 62 SER N N 62 117.004 117.004 114.173 2.831 18364 9609 1 17 . 1 1 62 62 SER HA H 62 5.551 5.551 5.087 0.464 18364 9610 1 17 . 1 1 62 62 SER CA C 62 54.255 54.255 57.940 -3.685 18364 9611 1 17 . 1 1 62 62 SER CB C 62 64.130 64.130 65.744 -1.614 18364 9612 1 17 . 1 1 62 62 SER H H 62 8.164 8.164 8.460 -0.296 18364 9613 1 17 . 1 1 63 63 CYS N N 63 120.270 120.270 117.964 2.306 18364 9614 1 17 . 1 1 63 63 CYS HA H 63 5.075 5.075 5.307 -0.232 18364 9615 1 17 . 1 1 63 63 CYS CA C 63 54.676 54.676 57.481 -2.805 18364 9616 1 17 . 1 1 63 63 CYS CB C 63 28.679 28.679 32.563 -3.884 18364 9617 1 17 . 1 1 63 63 CYS H H 63 8.537 8.537 8.233 0.304 18364 9618 1 17 . 1 1 64 64 CYS N N 64 120.868 120.868 116.692 4.176 18364 9619 1 17 . 1 1 64 64 CYS HA H 64 5.918 5.918 5.399 0.519 18364 9620 1 17 . 1 1 64 64 CYS CA C 64 53.204 53.204 55.974 -2.770 18364 9621 1 17 . 1 1 64 64 CYS CB C 64 30.216 30.216 31.651 -1.435 18364 9622 1 17 . 1 1 64 64 CYS H H 64 9.307 9.307 9.028 0.279 18364 9623 1 17 . 1 1 65 65 THR N N 65 109.830 109.830 111.618 -1.788 18364 9624 1 17 . 1 1 65 65 THR HA H 65 5.426 5.426 5.467 -0.041 18364 9625 1 17 . 1 1 65 65 THR CA C 65 58.465 58.465 59.885 -1.420 18364 9626 1 17 . 1 1 65 65 THR CB C 65 69.665 69.665 71.409 -1.744 18364 9627 1 17 . 1 1 65 65 THR H H 65 8.447 8.447 8.262 0.185 18364 9628 1 17 . 1 1 66 66 ASN N N 66 114.459 114.459 118.530 -4.071 18364 9629 1 17 . 1 1 66 66 ASN HA H 66 4.656 4.656 4.703 -0.047 18364 9630 1 17 . 1 1 66 66 ASN CA C 66 49.879 49.879 51.624 -1.745 18364 9631 1 17 . 1 1 66 66 ASN CB C 66 36.267 36.267 38.979 -2.712 18364 9632 1 17 . 1 1 66 66 ASN H H 66 9.300 9.300 8.539 0.761 18364 9633 1 17 . 1 1 67 67 GLY N N 67 103.647 103.647 103.412 0.235 18364 9634 1 17 . 1 1 67 67 GLY CA C 67 43.796 43.796 45.229 -1.433 18364 9635 1 17 . 1 1 67 67 GLY H H 67 8.237 8.237 8.612 -0.375 18364 9636 1 17 . 1 1 69 69 ALA N N 69 121.911 121.911 122.594 -0.683 18364 9637 1 17 . 1 1 69 69 ALA HA H 69 4.244 4.244 4.540 -0.296 18364 9638 1 17 . 1 1 69 69 ALA CA C 69 49.758 49.758 51.329 -1.571 18364 9639 1 17 . 1 1 69 69 ALA CB C 69 17.376 17.376 21.344 -3.968 18364 9640 1 17 . 1 1 69 69 ALA H H 69 7.677 7.677 7.377 0.300 18364 9641 1 17 . 1 1 70 70 PHE N N 70 114.118 114.118 115.925 -1.807 18364 9642 1 17 . 1 1 70 70 PHE HA H 70 4.965 4.965 4.879 0.086 18364 9643 1 17 . 1 1 70 70 PHE CA C 70 53.129 53.129 58.089 -4.960 18364 9644 1 17 . 1 1 70 70 PHE CB C 70 37.917 37.917 42.855 -4.938 18364 9645 1 17 . 1 1 70 70 PHE H H 70 8.549 8.549 8.422 0.127 18364 9646 1 17 . 1 1 71 71 PHE N N 71 110.252 110.252 113.281 -3.029 18364 9647 1 17 . 1 1 71 71 PHE HA H 71 4.247 4.247 4.710 -0.463 18364 9648 1 17 . 1 1 71 71 PHE CA C 71 54.475 54.475 56.100 -1.625 18364 9649 1 17 . 1 1 71 71 PHE CB C 71 38.123 38.123 41.393 -3.270 18364 9650 1 17 . 1 1 71 71 PHE H H 71 6.617 6.617 7.161 -0.544 18364 9651 1 17 . 1 1 72 72 MET N N 72 118.637 118.637 118.090 0.547 18364 9652 1 17 . 1 1 72 72 MET HA H 72 4.800 4.800 4.938 -0.138 18364 9653 1 17 . 1 1 72 72 MET CA C 72 53.108 53.108 54.676 -1.568 18364 9654 1 17 . 1 1 72 72 MET CB C 72 35.826 35.826 36.723 -0.897 18364 9655 1 17 . 1 1 72 72 MET H H 72 8.162 8.162 8.440 -0.278 18364 9656 1 17 . 1 1 73 73 THR N N 73 117.278 117.278 114.711 2.567 18364 9657 1 17 . 1 1 73 73 THR HA H 73 5.018 5.018 5.319 -0.301 18364 9658 1 17 . 1 1 73 73 THR CA C 73 58.316 58.316 60.626 -2.309 18364 9659 1 17 . 1 1 73 73 THR CB C 73 69.118 69.118 71.392 -2.275 18364 9660 1 17 . 1 1 73 73 THR H H 73 9.220 9.220 8.744 0.476 18364 9661 1 17 . 1 1 74 74 CYS N N 74 124.101 124.101 125.591 -1.490 18364 9662 1 17 . 1 1 74 74 CYS HA H 74 5.076 5.076 5.161 -0.085 18364 9663 1 17 . 1 1 74 74 CYS CA C 74 54.219 54.219 56.992 -2.773 18364 9664 1 17 . 1 1 74 74 CYS CB C 74 27.012 27.012 27.548 -0.536 18364 9665 1 17 . 1 1 74 74 CYS H H 74 8.958 8.958 8.330 0.628 18364 9666 1 17 . 1 1 75 75 ALA N N 75 132.901 132.901 124.229 8.672 18364 9667 1 17 . 1 1 75 75 ALA HA H 75 4.975 4.975 4.474 0.501 18364 9668 1 17 . 1 1 75 75 ALA CA C 75 47.826 47.826 52.181 -4.355 18364 9669 1 17 . 1 1 75 75 ALA CB C 75 18.111 18.111 19.472 -1.361 18364 9670 1 17 . 1 1 75 75 ALA H H 75 8.834 8.834 7.484 1.350 18364 9671 1 17 . 1 1 76 76 GLY N N 76 110.691 110.691 109.746 0.945 18364 9672 1 17 . 1 1 76 76 GLY CA C 76 41.784 41.784 44.515 -2.731 18364 9673 1 17 . 1 1 76 76 GLY H H 76 8.265 8.265 8.096 0.169 18364 9674 1 17 . 1 1 77 77 SER N N 77 115.145 115.145 113.801 1.344 18364 9675 1 17 . 1 1 77 77 SER HA H 77 4.980 4.980 5.375 -0.395 18364 9676 1 17 . 1 1 77 77 SER CA C 77 54.022 54.022 56.556 -2.534 18364 9677 1 17 . 1 1 77 77 SER CB C 77 62.987 62.987 66.845 -3.858 18364 9678 1 17 . 1 1 77 77 SER H H 77 8.723 8.723 8.334 0.390 18364 9679 1 17 . 1 1 78 78 VAL N N 78 124.775 124.775 120.107 4.668 18364 9680 1 17 . 1 1 78 78 VAL HA H 78 4.634 4.634 5.046 -0.412 18364 9681 1 17 . 1 1 78 78 VAL CA C 78 58.437 58.437 61.173 -2.736 18364 9682 1 17 . 1 1 78 78 VAL CB C 78 32.177 32.177 34.854 -2.677 18364 9683 1 17 . 1 1 78 78 VAL H H 78 8.963 8.963 8.730 0.233 18364 9684 1 17 . 1 1 79 79 SER N N 79 118.951 118.951 121.953 -3.002 18364 9685 1 17 . 1 1 79 79 SER HA H 79 5.619 5.619 5.368 0.251 18364 9686 1 17 . 1 1 79 79 SER CA C 79 53.011 53.011 57.445 -4.434 18364 9687 1 17 . 1 1 79 79 SER CB C 79 64.197 64.197 66.670 -2.473 18364 9688 1 17 . 1 1 79 79 SER H H 79 8.661 8.661 9.301 -0.640 18364 9689 1 17 . 1 1 80 80 SER N N 80 114.750 114.750 116.073 -1.323 18364 9690 1 17 . 1 1 80 80 SER HA H 80 4.439 4.439 4.774 -0.335 18364 9691 1 17 . 1 1 80 80 SER CA C 80 56.198 56.198 57.731 -1.533 18364 9692 1 17 . 1 1 80 80 SER CB C 80 63.490 63.490 65.823 -2.333 18364 9693 1 17 . 1 1 80 80 SER H H 80 8.563 8.563 9.106 -0.543 18364 9694 1 17 . 1 1 81 81 ILE N N 81 120.003 120.003 115.973 4.030 18364 9695 1 17 . 1 1 81 81 ILE HA H 81 4.576 4.576 4.609 -0.033 18364 9696 1 17 . 1 1 81 81 ILE CA C 81 57.951 57.951 60.593 -2.642 18364 9697 1 17 . 1 1 81 81 ILE CB C 81 36.011 36.011 37.594 -1.583 18364 9698 1 17 . 1 1 81 81 ILE H H 81 8.366 8.366 8.501 -0.135 18364 9699 1 17 . 1 1 82 82 SER N N 82 119.139 119.139 117.521 1.618 18364 9700 1 17 . 1 1 82 82 SER HA H 82 4.158 4.158 4.680 -0.522 18364 9701 1 17 . 1 1 82 82 SER CA C 82 56.910 56.910 56.721 0.189 18364 9702 1 17 . 1 1 82 82 SER CB C 82 62.055 62.055 65.299 -3.244 18364 9703 1 17 . 1 1 82 82 SER H H 82 8.204 8.204 7.576 0.628 18364 9704 1 17 . 1 1 83 83 GLU N N 83 118.350 118.350 119.308 -0.958 18364 9705 1 17 . 1 1 83 83 GLU HA H 83 4.133 4.133 4.141 -0.008 18364 9706 1 17 . 1 1 83 83 GLU CA C 83 53.267 53.267 56.503 -3.236 18364 9707 1 17 . 1 1 83 83 GLU CB C 83 27.763 27.763 29.959 -2.196 18364 9708 1 17 . 1 1 83 83 GLU H H 83 8.381 8.381 8.321 0.060 18364 9709 1 17 . 1 1 84 84 ALA N N 84 121.665 121.665 123.830 -2.165 18364 9710 1 17 . 1 1 84 84 ALA HA H 84 3.542 3.542 4.034 -0.492 18364 9711 1 17 . 1 1 84 84 ALA CA C 84 50.621 50.621 53.372 -2.751 18364 9712 1 17 . 1 1 84 84 ALA CB C 84 16.540 16.540 18.879 -2.339 18364 9713 1 17 . 1 1 84 84 ALA H H 84 8.482 8.482 8.273 0.209 18364 9714 1 17 . 1 1 85 85 GLY N N 85 108.356 108.356 107.955 0.401 18364 9715 1 17 . 1 1 85 85 GLY CA C 85 42.955 42.955 45.259 -2.304 18364 9716 1 17 . 1 1 85 85 GLY H H 85 8.078 8.078 8.602 -0.524 18364 9717 1 17 . 1 1 86 86 LYS N N 86 121.491 121.491 123.259 -1.768 18364 9718 1 17 . 1 1 86 86 LYS HA H 86 4.638 4.638 4.444 0.194 18364 9719 1 17 . 1 1 86 86 LYS CA C 86 51.073 51.073 55.726 -4.653 18364 9720 1 17 . 1 1 86 86 LYS CB C 86 29.750 29.750 31.989 -2.239 18364 9721 1 17 . 1 1 86 86 LYS H H 86 8.225 8.225 8.249 -0.024 18364 9722 1 17 . 1 1 87 87 ARG N N 87 121.874 121.874 123.593 -1.719 18364 9723 1 17 . 1 1 87 87 ARG HA H 87 5.673 5.673 5.117 0.556 18364 9724 1 17 . 1 1 87 87 ARG CA C 87 52.139 52.139 55.562 -3.423 18364 9725 1 17 . 1 1 87 87 ARG CB C 87 32.163 32.163 32.764 -0.601 18364 9726 1 17 . 1 1 87 87 ARG H H 87 9.979 9.979 8.784 1.195 18364 9727 1 17 . 1 1 88 88 LEU N N 88 125.264 125.264 121.601 3.663 18364 9728 1 17 . 1 1 88 88 LEU HA H 88 4.562 4.562 4.797 -0.235 18364 9729 1 17 . 1 1 88 88 LEU CA C 88 50.284 50.284 55.068 -4.784 18364 9730 1 17 . 1 1 88 88 LEU CB C 88 42.309 42.309 44.392 -2.083 18364 9731 1 17 . 1 1 88 88 LEU H H 88 8.756 8.756 8.580 0.176 18364 9732 1 17 . 1 1 89 89 HIS N N 89 125.453 125.453 126.240 -0.787 18364 9733 1 17 . 1 1 89 89 HIS HA H 89 5.188 5.188 5.040 0.148 18364 9734 1 17 . 1 1 89 89 HIS CA C 89 51.389 51.389 54.528 -3.139 18364 9735 1 17 . 1 1 89 89 HIS CB C 89 27.731 27.731 31.745 -4.014 18364 9736 1 17 . 1 1 89 89 HIS H H 89 8.910 8.910 8.927 -0.017 18364 9737 1 17 . 1 1 90 90 ILE N N 90 126.486 126.486 128.642 -2.156 18364 9738 1 17 . 1 1 90 90 ILE HA H 90 5.020 5.020 4.690 0.330 18364 9739 1 17 . 1 1 90 90 ILE CA C 90 55.642 55.642 59.382 -3.740 18364 9740 1 17 . 1 1 90 90 ILE CB C 90 38.696 38.696 39.791 -1.095 18364 9741 1 17 . 1 1 90 90 ILE H H 90 8.689 8.689 8.317 0.372 18364 9742 1 17 . 1 1 91 91 THR N N 91 123.200 123.200 123.810 -0.610 18364 9743 1 17 . 1 1 91 91 THR HA H 91 5.017 5.017 4.781 0.236 18364 9744 1 17 . 1 1 91 91 THR CA C 91 58.555 58.555 61.958 -3.402 18364 9745 1 17 . 1 1 91 91 THR CB C 91 68.702 68.702 69.960 -1.258 18364 9746 1 17 . 1 1 91 91 THR H H 91 8.636 8.636 8.742 -0.106 18364 9747 1 17 . 1 1 92 92 VAL N N 92 127.071 127.071 123.231 3.840 18364 9748 1 17 . 1 1 92 92 VAL HA H 92 5.018 5.018 5.145 -0.127 18364 9749 1 17 . 1 1 92 92 VAL CA C 92 57.969 57.969 60.160 -2.191 18364 9750 1 17 . 1 1 92 92 VAL CB C 92 31.323 31.323 33.633 -2.310 18364 9751 1 17 . 1 1 92 92 VAL H H 92 9.162 9.162 8.191 0.971 18364 9752 1 17 . 1 1 93 93 ILE N N 93 127.095 127.095 124.210 2.885 18364 9753 1 17 . 1 1 93 93 ILE HA H 93 4.461 4.461 4.952 -0.491 18364 9754 1 17 . 1 1 93 93 ILE CA C 93 57.972 57.972 60.173 -2.201 18364 9755 1 17 . 1 1 93 93 ILE CB C 93 38.929 38.929 42.072 -3.143 18364 9756 1 17 . 1 1 93 93 ILE H H 93 9.313 9.313 9.092 0.221 18364 9757 1 17 . 1 1 94 94 GLY N N 94 111.893 111.893 112.923 -1.030 18364 9758 1 17 . 1 1 94 94 GLY CA C 94 41.781 41.781 43.747 -1.966 18364 9759 1 17 . 1 1 94 94 GLY H H 94 8.577 8.577 8.718 -0.141 18364 9760 1 17 . 1 1 95 95 TYR N N 95 123.099 123.099 124.766 -1.667 18364 9761 1 17 . 1 1 95 95 TYR HA H 95 5.399 5.399 5.527 -0.128 18364 9762 1 17 . 1 1 95 95 TYR CA C 95 54.052 54.052 56.745 -2.693 18364 9763 1 17 . 1 1 95 95 TYR CB C 95 41.285 41.285 43.100 -1.815 18364 9764 1 17 . 1 1 95 95 TYR H H 95 9.640 9.640 9.183 0.457 18364 9765 1 17 . 1 1 96 96 ILE N N 96 116.705 116.705 123.150 -6.445 18364 9766 1 17 . 1 1 96 96 ILE HA H 96 4.208 4.208 4.060 0.148 18364 9767 1 17 . 1 1 96 96 ILE CA C 96 58.977 58.977 60.661 -1.684 18364 9768 1 17 . 1 1 96 96 ILE CB C 96 37.245 37.245 40.014 -2.769 18364 9769 1 17 . 1 1 96 96 ILE H H 96 8.270 8.270 9.173 -0.903 18364 9770 1 17 . 1 1 97 97 ASP N N 97 130.442 130.442 131.012 -0.570 18364 9771 1 17 . 1 1 97 97 ASP HA H 97 4.165 4.165 4.247 -0.082 18364 9772 1 17 . 1 1 97 97 ASP CA C 97 53.736 53.736 55.519 -1.783 18364 9773 1 17 . 1 1 97 97 ASP CB C 97 36.870 36.870 40.044 -3.174 18364 9774 1 17 . 1 1 97 97 ASP H H 97 9.849 9.849 8.967 0.882 18364 9775 1 17 . 1 1 98 98 ASP N N 98 114.957 114.957 115.790 -0.833 18364 9776 1 17 . 1 1 98 98 ASP HA H 98 4.694 4.694 4.278 0.416 18364 9777 1 17 . 1 1 98 98 ASP CB C 98 36.266 36.266 40.916 -4.650 18364 9778 1 17 . 1 1 98 98 ASP H H 98 8.355 8.355 9.072 -0.717 18364 9779 1 17 . 1 1 99 99 LYS N N 99 121.680 121.680 116.683 4.997 18364 9780 1 17 . 1 1 99 99 LYS HA H 99 4.590 4.590 4.655 -0.065 18364 9781 1 17 . 1 1 99 99 LYS CA C 99 52.354 52.354 54.938 -2.584 18364 9782 1 17 . 1 1 99 99 LYS CB C 99 30.958 30.958 35.252 -4.294 18364 9783 1 17 . 1 1 99 99 LYS H H 99 8.049 8.049 7.741 0.308 18364 9784 1 17 . 1 1 100 100 GLU N N 100 127.574 127.574 121.521 6.053 18364 9785 1 17 . 1 1 100 100 GLU HA H 100 3.804 3.804 4.312 -0.508 18364 9786 1 17 . 1 1 100 100 GLU CA C 100 54.562 54.562 54.918 -0.356 18364 9787 1 17 . 1 1 100 100 GLU CB C 100 26.808 26.808 30.770 -3.962 18364 9788 1 17 . 1 1 100 100 GLU H H 100 8.839 8.839 8.244 0.595 18364 9789 1 17 . 1 1 101 101 VAL N N 101 120.606 120.606 116.441 4.165 18364 9790 1 17 . 1 1 101 101 VAL HA H 101 4.534 4.534 4.386 0.148 18364 9791 1 17 . 1 1 101 101 VAL CA C 101 58.379 58.379 61.734 -3.355 18364 9792 1 17 . 1 1 101 101 VAL CB C 101 31.223 31.223 33.490 -2.267 18364 9793 1 17 . 1 1 101 101 VAL H H 101 8.997 8.997 8.444 0.553 18364 9794 1 17 . 1 1 102 102 ASN N N 102 118.568 118.568 119.599 -1.031 18364 9795 1 17 . 1 1 102 102 ASN HA H 102 4.782 4.782 4.842 -0.060 18364 9796 1 17 . 1 1 102 102 ASN CA C 102 50.154 50.154 53.607 -3.453 18364 9797 1 17 . 1 1 102 102 ASN CB C 102 38.848 38.848 41.199 -2.351 18364 9798 1 17 . 1 1 102 102 ASN H H 102 7.598 7.598 7.689 -0.091 18364 9799 1 17 . 1 1 103 103 ARG N N 103 120.366 120.366 124.675 -4.309 18364 9800 1 17 . 1 1 103 103 ARG HA H 103 5.051 5.051 5.167 -0.116 18364 9801 1 17 . 1 1 103 103 ARG CA C 103 52.900 52.900 55.882 -2.982 18364 9802 1 17 . 1 1 103 103 ARG CB C 103 31.710 31.710 32.795 -1.085 18364 9803 1 17 . 1 1 103 103 ARG H H 103 8.155 8.155 8.383 -0.228 18364 9804 1 17 . 1 1 104 104 LEU N N 104 128.859 128.859 124.382 4.477 18364 9805 1 17 . 1 1 104 104 LEU HA H 104 4.553 4.553 4.768 -0.215 18364 9806 1 17 . 1 1 104 104 LEU CA C 104 51.272 51.272 54.906 -3.634 18364 9807 1 17 . 1 1 104 104 LEU CB C 104 43.549 43.549 44.158 -0.609 18364 9808 1 17 . 1 1 104 104 LEU H H 104 9.271 9.271 8.405 0.866 18364 9809 1 17 . 1 1 105 105 GLU N N 105 125.663 125.663 123.331 2.332 18364 9810 1 17 . 1 1 105 105 GLU HA H 105 5.179 5.179 4.628 0.551 18364 9811 1 17 . 1 1 105 105 GLU CA C 105 51.966 51.966 56.179 -4.213 18364 9812 1 17 . 1 1 105 105 GLU CB C 105 29.358 29.358 30.700 -1.342 18364 9813 1 17 . 1 1 105 105 GLU H H 105 8.346 8.346 8.369 -0.023 18364 9814 1 17 . 1 1 106 106 LYS N N 106 123.659 123.659 119.973 3.686 18364 9815 1 17 . 1 1 106 106 LYS HA H 106 4.281 4.281 4.383 -0.102 18364 9816 1 17 . 1 1 106 106 LYS CA C 106 51.118 51.118 54.783 -3.665 18364 9817 1 17 . 1 1 106 106 LYS CB C 106 34.761 34.761 36.569 -1.808 18364 9818 1 17 . 1 1 106 106 LYS H H 106 8.526 8.526 8.108 0.418 18364 9819 1 17 . 1 1 107 107 GLU N N 107 121.917 121.917 119.540 2.377 18364 9820 1 17 . 1 1 107 107 GLU HA H 107 4.949 4.949 4.764 0.185 18364 9821 1 17 . 1 1 107 107 GLU CA C 107 51.404 51.404 54.645 -3.241 18364 9822 1 17 . 1 1 107 107 GLU CB C 107 29.906 29.906 32.667 -2.761 18364 9823 1 17 . 1 1 107 107 GLU H H 107 7.773 7.773 7.887 -0.114 18364 9824 1 17 . 1 1 108 108 TYR N N 108 124.981 124.981 121.731 3.250 18364 9825 1 17 . 1 1 108 108 TYR HA H 108 4.720 4.720 4.821 -0.101 18364 9826 1 17 . 1 1 108 108 TYR CA C 108 54.188 54.188 56.748 -2.559 18364 9827 1 17 . 1 1 108 108 TYR CB C 108 39.101 39.101 42.789 -3.688 18364 9828 1 17 . 1 1 108 108 TYR H H 108 9.031 9.031 8.682 0.349 18364 9829 1 17 . 1 1 109 109 ILE N N 109 121.680 121.680 119.784 1.896 18364 9830 1 17 . 1 1 109 109 ILE HA H 109 5.471 5.471 5.046 0.425 18364 9831 1 17 . 1 1 109 109 ILE CA C 109 56.592 56.592 59.825 -3.232 18364 9832 1 17 . 1 1 109 109 ILE CB C 109 38.728 38.728 42.328 -3.600 18364 9833 1 17 . 1 1 109 109 ILE H H 109 8.475 8.475 8.424 0.051 18364 9834 1 17 . 1 1 110 110 THR N N 110 117.537 117.537 115.745 1.792 18364 9835 1 17 . 1 1 110 110 THR HA H 110 4.521 4.521 4.379 0.142 18364 9836 1 17 . 1 1 110 110 THR CA C 110 59.337 59.337 61.701 -2.364 18364 9837 1 17 . 1 1 110 110 THR CB C 110 67.143 67.143 69.991 -2.848 18364 9838 1 17 . 1 1 110 110 THR H H 110 9.180 9.180 8.421 0.759 18364 9839 1 17 . 1 1 111 111 ASP N N 111 122.428 122.428 124.775 -2.347 18364 9840 1 17 . 1 1 111 111 ASP HA H 111 4.721 4.721 4.760 -0.039 18364 9841 1 17 . 1 1 111 111 ASP CA C 111 50.135 50.135 53.315 -3.180 18364 9842 1 17 . 1 1 111 111 ASP CB C 111 39.613 39.613 40.685 -1.072 18364 9843 1 17 . 1 1 111 111 ASP H H 111 9.342 9.342 8.754 0.588 18364 9844 1 17 . 1 1 112 112 GLY N N 112 110.714 110.714 111.255 -0.541 18364 9845 1 17 . 1 1 112 112 GLY CA C 112 43.084 43.084 45.439 -2.355 18364 9846 1 17 . 1 1 112 112 GLY H H 112 8.333 8.333 8.813 -0.480 18364 9847 1 17 . 1 1 113 113 ASN N N 113 119.462 119.462 119.830 -0.368 18364 9848 1 17 . 1 1 113 113 ASN HA H 113 4.926 4.926 4.846 0.080 18364 9849 1 17 . 1 1 113 113 ASN CA C 113 49.373 49.373 53.282 -3.909 18364 9850 1 17 . 1 1 113 113 ASN CB C 113 37.377 37.377 39.058 -1.681 18364 9851 1 17 . 1 1 113 113 ASN H H 113 8.210 8.210 7.800 0.410 18364 9852 1 17 . 1 1 114 114 THR N N 114 117.962 117.962 113.901 4.061 18364 9853 1 17 . 1 1 114 114 THR HA H 114 4.136 4.136 4.119 0.017 18364 9854 1 17 . 1 1 114 114 THR CA C 114 62.066 62.066 63.012 -0.946 18364 9855 1 17 . 1 1 114 114 THR CB C 114 66.489 66.489 69.470 -2.981 18364 9856 1 17 . 1 1 114 114 THR H H 114 8.436 8.436 8.140 0.296 18364 9857 1 17 . 1 1 115 115 LEU N N 115 132.998 132.998 121.982 11.016 18364 9858 1 17 . 1 1 115 115 LEU HA H 115 4.607 4.607 4.828 -0.221 18364 9859 1 17 . 1 1 115 115 LEU CA C 115 52.335 52.335 54.490 -2.155 18364 9860 1 17 . 1 1 115 115 LEU CB C 115 41.546 41.546 45.800 -4.254 18364 9861 1 17 . 1 1 115 115 LEU H H 115 8.789 8.789 8.320 0.469 18364 9862 1 17 . 1 1 116 116 ILE N N 116 126.586 126.586 123.710 2.876 18364 9863 1 17 . 1 1 116 116 ILE HA H 116 4.784 4.784 5.085 -0.301 18364 9864 1 17 . 1 1 116 116 ILE CA C 116 58.270 58.270 60.269 -1.999 18364 9865 1 17 . 1 1 116 116 ILE CB C 116 37.909 37.909 42.061 -4.152 18364 9866 1 17 . 1 1 116 116 ILE H H 116 8.637 8.637 8.427 0.210 18364 9867 1 17 . 1 1 117 117 GLU N N 117 127.084 127.084 125.183 1.901 18364 9868 1 17 . 1 1 117 117 GLU HA H 117 4.830 4.830 4.915 -0.085 18364 9869 1 17 . 1 1 117 117 GLU CA C 117 51.847 51.847 54.660 -2.813 18364 9870 1 17 . 1 1 117 117 GLU CB C 117 32.299 32.299 34.890 -2.591 18364 9871 1 17 . 1 1 117 117 GLU H H 117 8.933 8.933 9.138 -0.205 18364 9872 1 17 . 1 1 118 118 THR N N 118 110.826 110.826 110.684 0.142 18364 9873 1 17 . 1 1 118 118 THR HA H 118 5.190 5.190 5.428 -0.238 18364 9874 1 17 . 1 1 118 118 THR CA C 118 57.036 57.036 60.180 -3.144 18364 9875 1 17 . 1 1 118 118 THR CB C 118 69.888 69.888 71.576 -1.688 18364 9876 1 17 . 1 1 118 118 THR H H 118 8.664 8.664 8.429 0.235 18364 9877 1 17 . 1 1 119 119 PHE N N 119 115.915 115.915 115.438 0.477 18364 9878 1 17 . 1 1 119 119 PHE HA H 119 4.999 4.999 5.000 -0.001 18364 9879 1 17 . 1 1 119 119 PHE CA C 119 53.804 53.804 57.187 -3.383 18364 9880 1 17 . 1 1 119 119 PHE CB C 119 39.787 39.787 41.115 -1.328 18364 9881 1 17 . 1 1 119 119 PHE H H 119 8.087 8.087 8.787 -0.700 18364 9882 1 17 . 1 1 120 120 SER N N 120 114.953 114.953 115.305 -0.352 18364 9883 1 17 . 1 1 120 120 SER HA H 120 5.383 5.383 4.678 0.705 18364 9884 1 17 . 1 1 120 120 SER CA C 120 55.192 55.192 58.116 -2.924 18364 9885 1 17 . 1 1 120 120 SER CB C 120 62.113 62.113 65.243 -3.130 18364 9886 1 17 . 1 1 120 120 SER H H 120 8.627 8.627 8.503 0.124 18364 9887 1 17 . 1 1 121 121 VAL N N 121 124.122 124.122 124.557 -0.435 18364 9888 1 17 . 1 1 121 121 VAL HA H 121 4.349 4.349 4.426 -0.077 18364 9889 1 17 . 1 1 121 121 VAL CA C 121 59.005 59.005 62.035 -3.030 18364 9890 1 17 . 1 1 121 121 VAL CB C 121 34.127 34.127 34.336 -0.209 18364 9891 1 17 . 1 1 121 121 VAL H H 121 8.866 8.866 8.753 0.113 18364 9892 1 17 . 1 1 122 122 SER N N 122 119.703 119.703 122.583 -2.880 18364 9893 1 17 . 1 1 122 122 SER HA H 122 5.598 5.598 5.152 0.446 18364 9894 1 17 . 1 1 122 122 SER CA C 122 53.065 53.065 57.783 -4.718 18364 9895 1 17 . 1 1 122 122 SER CB C 122 63.442 63.442 64.811 -1.369 18364 9896 1 17 . 1 1 122 122 SER H H 122 8.334 8.334 8.920 -0.586 18364 9897 1 17 . 1 1 123 123 THR N N 123 113.276 113.276 112.359 0.917 18364 9898 1 17 . 1 1 123 123 THR HA H 123 4.093 4.093 4.514 -0.421 18364 9899 1 17 . 1 1 123 123 THR CA C 123 60.143 60.143 62.156 -2.013 18364 9900 1 17 . 1 1 123 123 THR CB C 123 64.437 64.437 69.077 -4.640 18364 9901 1 17 . 1 1 123 123 THR H H 123 8.898 8.898 9.265 -0.367 18364 9902 1 17 . 1 1 124 124 LYS N N 124 119.191 119.191 120.464 -1.273 18364 9903 1 17 . 1 1 124 124 LYS HA H 124 4.324 4.324 4.503 -0.179 18364 9904 1 17 . 1 1 124 124 LYS CA C 124 53.486 53.486 56.791 -3.305 18364 9905 1 17 . 1 1 124 124 LYS CB C 124 32.376 32.376 35.185 -2.809 18364 9906 1 17 . 1 1 124 124 LYS H H 124 7.569 7.569 7.886 -0.317 18364 9907 1 17 . 1 1 125 125 GLU N N 125 124.243 124.243 126.999 -2.756 18364 9908 1 17 . 1 1 125 125 GLU HA H 125 4.255 4.255 4.676 -0.421 18364 9909 1 17 . 1 1 125 125 GLU CA C 125 53.830 53.830 55.903 -2.073 18364 9910 1 17 . 1 1 125 125 GLU CB C 125 27.674 27.674 30.726 -3.052 18364 9911 1 17 . 1 1 125 125 GLU H H 125 8.359 8.359 8.772 -0.413 18364 9912 1 18 . 1 1 2 2 ALA CA C 2 50.698 50.698 51.990 -1.292 18364 9913 1 18 . 1 1 2 2 ALA CB C 2 16.688 16.688 20.368 -3.680 18364 9914 1 18 . 1 1 3 3 SER N N 3 113.663 113.663 118.181 -4.518 18364 9915 1 18 . 1 1 3 3 SER HA H 3 4.296 4.296 4.727 -0.431 18364 9916 1 18 . 1 1 3 3 SER CA C 3 55.573 55.573 58.433 -2.860 18364 9917 1 18 . 1 1 3 3 SER CB C 3 60.888 60.888 63.588 -2.700 18364 9918 1 18 . 1 1 3 3 SER H H 3 8.301 8.301 8.437 -0.136 18364 9919 1 18 . 1 1 4 4 ASP N N 4 121.532 121.532 124.194 -2.662 18364 9920 1 18 . 1 1 4 4 ASP HA H 4 4.394 4.394 4.745 -0.351 18364 9921 1 18 . 1 1 4 4 ASP CA C 4 51.748 51.748 54.755 -3.007 18364 9922 1 18 . 1 1 4 4 ASP CB C 4 38.614 38.614 42.215 -3.601 18364 9923 1 18 . 1 1 4 4 ASP H H 4 7.874 7.874 8.367 -0.493 18364 9924 1 18 . 1 1 5 5 PHE N N 5 119.126 119.126 123.297 -4.171 18364 9925 1 18 . 1 1 5 5 PHE HA H 5 4.535 4.535 4.927 -0.392 18364 9926 1 18 . 1 1 5 5 PHE CA C 5 54.589 54.589 56.740 -2.151 18364 9927 1 18 . 1 1 5 5 PHE CB C 5 37.079 37.079 39.625 -2.546 18364 9928 1 18 . 1 1 5 5 PHE H H 5 7.832 7.832 7.996 -0.164 18364 9929 1 18 . 1 1 6 6 GLN N N 6 122.092 122.092 124.842 -2.750 18364 9930 1 18 . 1 1 6 6 GLN HA H 6 4.417 4.417 4.422 -0.005 18364 9931 1 18 . 1 1 6 6 GLN CA C 6 53.128 53.128 54.506 -1.378 18364 9932 1 18 . 1 1 6 6 GLN CB C 6 27.477 27.477 27.825 -0.348 18364 9933 1 18 . 1 1 6 6 GLN H H 6 8.447 8.447 8.632 -0.185 18364 9934 1 18 . 1 1 7 7 THR N N 7 114.717 114.717 116.176 -1.459 18364 9935 1 18 . 1 1 7 7 THR HA H 7 5.035 5.035 4.185 0.850 18364 9936 1 18 . 1 1 7 7 THR CA C 7 57.906 57.906 62.000 -4.094 18364 9937 1 18 . 1 1 7 7 THR CB C 7 68.370 68.370 69.475 -1.105 18364 9938 1 18 . 1 1 7 7 THR H H 7 8.145 8.145 8.161 -0.016 18364 9939 1 18 . 1 1 8 8 GLY N N 8 111.628 111.628 109.105 2.523 18364 9940 1 18 . 1 1 8 8 GLY CA C 8 43.774 43.774 45.688 -1.914 18364 9941 1 18 . 1 1 8 8 GLY H H 8 9.234 9.234 8.458 0.776 18364 9942 1 18 . 1 1 9 9 ILE N N 9 119.585 119.585 122.145 -2.560 18364 9943 1 18 . 1 1 9 9 ILE HA H 9 3.934 3.934 4.533 -0.599 18364 9944 1 18 . 1 1 9 9 ILE CA C 9 58.907 58.907 60.390 -1.483 18364 9945 1 18 . 1 1 9 9 ILE CB C 9 35.738 35.738 40.852 -5.114 18364 9946 1 18 . 1 1 9 9 ILE H H 9 8.603 8.603 7.970 0.633 18364 9947 1 18 . 1 1 10 10 HIS N N 10 133.616 133.616 126.909 6.707 18364 9948 1 18 . 1 1 10 10 HIS HA H 10 5.185 5.185 5.126 0.059 18364 9949 1 18 . 1 1 10 10 HIS CA C 10 53.587 53.587 55.937 -2.350 18364 9950 1 18 . 1 1 10 10 HIS CB C 10 30.817 30.817 31.517 -0.700 18364 9951 1 18 . 1 1 10 10 HIS H H 10 8.599 8.599 8.862 -0.263 18364 9952 1 18 . 1 1 11 11 LYS N N 11 122.949 122.949 119.684 3.265 18364 9953 1 18 . 1 1 11 11 LYS HA H 11 5.236 5.236 4.959 0.277 18364 9954 1 18 . 1 1 11 11 LYS CA C 11 52.748 52.748 55.750 -3.002 18364 9955 1 18 . 1 1 11 11 LYS CB C 11 35.137 35.137 36.629 -1.492 18364 9956 1 18 . 1 1 11 11 LYS H H 11 8.775 8.775 8.674 0.101 18364 9957 1 18 . 1 1 12 12 ILE N N 12 125.260 125.260 121.019 4.241 18364 9958 1 18 . 1 1 12 12 ILE HA H 12 5.273 5.273 4.825 0.448 18364 9959 1 18 . 1 1 12 12 ILE CA C 12 55.780 55.780 59.879 -4.099 18364 9960 1 18 . 1 1 12 12 ILE CB C 12 38.767 38.767 41.538 -2.771 18364 9961 1 18 . 1 1 12 12 ILE H H 12 8.578 8.578 8.990 -0.412 18364 9962 1 18 . 1 1 13 13 VAL N N 13 126.515 126.515 127.729 -1.214 18364 9963 1 18 . 1 1 13 13 VAL HA H 13 4.795 4.795 4.645 0.150 18364 9964 1 18 . 1 1 13 13 VAL CA C 13 58.115 58.115 61.188 -3.073 18364 9965 1 18 . 1 1 13 13 VAL CB C 13 32.948 32.948 34.417 -1.469 18364 9966 1 18 . 1 1 13 13 VAL H H 13 9.052 9.052 9.025 0.027 18364 9967 1 18 . 1 1 14 14 ILE N N 14 125.803 125.803 125.759 0.044 18364 9968 1 18 . 1 1 14 14 ILE HA H 14 5.008 5.008 5.149 -0.141 18364 9969 1 18 . 1 1 14 14 ILE CA C 14 57.539 57.539 59.643 -2.104 18364 9970 1 18 . 1 1 14 14 ILE CB C 14 38.656 38.656 41.923 -3.267 18364 9971 1 18 . 1 1 14 14 ILE H H 14 8.974 8.974 8.763 0.211 18364 9972 1 18 . 1 1 15 15 GLN N N 15 125.773 125.773 121.982 3.791 18364 9973 1 18 . 1 1 15 15 GLN HA H 15 5.433 5.433 5.205 0.228 18364 9974 1 18 . 1 1 15 15 GLN CA C 15 51.002 51.002 54.250 -3.248 18364 9975 1 18 . 1 1 15 15 GLN CB C 15 29.637 29.637 33.688 -4.051 18364 9976 1 18 . 1 1 15 15 GLN H H 15 9.244 9.244 8.894 0.350 18364 9977 1 18 . 1 1 16 16 GLN N N 16 119.832 119.832 117.628 2.204 18364 9978 1 18 . 1 1 16 16 GLN HA H 16 5.741 5.741 5.433 0.308 18364 9979 1 18 . 1 1 16 16 GLN CA C 16 50.572 50.572 54.460 -3.888 18364 9980 1 18 . 1 1 16 16 GLN CB C 16 30.039 30.039 32.820 -2.781 18364 9981 1 18 . 1 1 16 16 GLN H H 16 8.964 8.964 8.823 0.141 18364 9982 1 18 . 1 1 17 17 SER N N 17 115.201 115.201 114.969 0.232 18364 9983 1 18 . 1 1 17 17 SER HA H 17 4.526 4.526 4.828 -0.302 18364 9984 1 18 . 1 1 17 17 SER CA C 17 54.831 54.831 57.917 -3.086 18364 9985 1 18 . 1 1 17 17 SER CB C 17 62.930 62.930 65.453 -2.523 18364 9986 1 18 . 1 1 17 17 SER H H 17 8.770 8.770 8.371 0.399 18364 9987 1 18 . 1 1 18 18 GLY N N 18 109.321 109.321 110.584 -1.263 18364 9988 1 18 . 1 1 18 18 GLY CA C 18 41.737 41.737 46.114 -4.377 18364 9989 1 18 . 1 1 18 18 GLY H H 18 8.798 8.798 8.330 0.468 18364 9990 1 18 . 1 1 19 19 ASP N N 19 128.121 128.121 122.446 5.675 18364 9991 1 18 . 1 1 19 19 ASP HA H 19 5.071 5.071 5.192 -0.121 18364 9992 1 18 . 1 1 19 19 ASP CA C 19 51.251 51.251 53.377 -2.126 18364 9993 1 18 . 1 1 19 19 ASP CB C 19 37.872 37.872 41.818 -3.946 18364 9994 1 18 . 1 1 19 19 ASP H H 19 9.708 9.708 8.548 1.160 18364 9995 1 18 . 1 1 20 20 THR N N 20 111.610 111.610 111.192 0.418 18364 9996 1 18 . 1 1 20 20 THR HA H 20 3.615 3.615 4.183 -0.568 18364 9997 1 18 . 1 1 20 20 THR CA C 20 63.331 63.331 64.982 -1.651 18364 9998 1 18 . 1 1 20 20 THR CB C 20 64.873 64.873 68.289 -3.416 18364 9999 1 18 . 1 1 20 20 THR H H 20 8.136 8.136 8.498 -0.362 18364 10000 1 18 . 1 1 21 21 ASP N N 21 118.304 118.304 120.944 -2.640 18364 10001 1 18 . 1 1 21 21 ASP HA H 21 4.639 4.639 4.819 -0.180 18364 10002 1 18 . 1 1 21 21 ASP CA C 21 52.945 52.945 55.494 -2.549 18364 10003 1 18 . 1 1 21 21 ASP CB C 21 37.785 37.785 41.372 -3.587 18364 10004 1 18 . 1 1 21 21 ASP H H 21 8.566 8.566 7.993 0.573 18364 10005 1 18 . 1 1 22 22 SER N N 22 114.253 114.253 114.860 -0.607 18364 10006 1 18 . 1 1 22 22 SER HA H 22 4.384 4.384 4.594 -0.210 18364 10007 1 18 . 1 1 22 22 SER CA C 22 57.170 57.170 57.537 -0.367 18364 10008 1 18 . 1 1 22 22 SER CB C 22 61.441 61.441 63.735 -2.294 18364 10009 1 18 . 1 1 22 22 SER H H 22 8.076 8.076 7.807 0.269 18364 10010 1 18 . 1 1 23 23 PHE N N 23 119.853 119.853 118.692 1.161 18364 10011 1 18 . 1 1 23 23 PHE HA H 23 5.010 5.010 5.217 -0.207 18364 10012 1 18 . 1 1 23 23 PHE CA C 23 53.272 53.272 56.787 -3.515 18364 10013 1 18 . 1 1 23 23 PHE CB C 23 42.021 42.021 43.353 -1.332 18364 10014 1 18 . 1 1 23 23 PHE H H 23 7.611 7.611 7.775 -0.164 18364 10015 1 18 . 1 1 24 24 GLU N N 24 119.255 119.255 123.549 -4.294 18364 10016 1 18 . 1 1 24 24 GLU HA H 24 4.571 4.571 4.685 -0.114 18364 10017 1 18 . 1 1 24 24 GLU CA C 24 52.642 52.642 54.998 -2.356 18364 10018 1 18 . 1 1 24 24 GLU CB C 24 28.881 28.881 28.962 -0.081 18364 10019 1 18 . 1 1 24 24 GLU H H 24 8.958 8.958 8.904 0.054 18364 10020 1 18 . 1 1 25 25 VAL N N 25 130.637 130.637 123.289 7.348 18364 10021 1 18 . 1 1 25 25 VAL HA H 25 4.859 4.859 4.092 0.767 18364 10022 1 18 . 1 1 25 25 VAL CA C 25 58.548 58.548 62.903 -4.355 18364 10023 1 18 . 1 1 25 25 VAL CB C 25 30.439 30.439 32.426 -1.987 18364 10024 1 18 . 1 1 25 25 VAL H H 25 9.678 9.678 7.658 2.020 18364 10025 1 18 . 1 1 26 26 SER N N 26 122.555 122.555 125.078 -2.523 18364 10026 1 18 . 1 1 26 26 SER HA H 26 5.289 5.289 5.323 -0.034 18364 10027 1 18 . 1 1 26 26 SER CA C 26 54.088 54.088 56.773 -2.685 18364 10028 1 18 . 1 1 26 26 SER CB C 26 62.476 62.476 65.039 -2.563 18364 10029 1 18 . 1 1 26 26 SER H H 26 8.883 8.883 8.918 -0.035 18364 10030 1 18 . 1 1 27 27 VAL N N 27 113.682 113.682 119.982 -6.300 18364 10031 1 18 . 1 1 27 27 VAL HA H 27 5.269 5.269 4.596 0.673 18364 10032 1 18 . 1 1 27 27 VAL CA C 27 56.005 56.005 59.840 -3.835 18364 10033 1 18 . 1 1 27 27 VAL CB C 27 34.158 34.158 33.068 1.090 18364 10034 1 18 . 1 1 27 27 VAL H H 27 8.493 8.493 8.908 -0.415 18364 10035 1 18 . 1 1 28 28 SER N N 28 116.852 116.852 122.520 -5.668 18364 10036 1 18 . 1 1 28 28 SER HA H 28 5.410 5.410 4.617 0.793 18364 10037 1 18 . 1 1 28 28 SER CA C 28 54.633 54.633 58.982 -4.349 18364 10038 1 18 . 1 1 28 28 SER CB C 28 62.095 62.095 63.729 -1.634 18364 10039 1 18 . 1 1 28 28 SER H H 28 8.709 8.709 8.285 0.424 18364 10040 1 18 . 1 1 29 29 ILE N N 29 128.765 128.765 126.623 2.142 18364 10041 1 18 . 1 1 29 29 ILE HA H 29 5.224 5.224 4.498 0.726 18364 10042 1 18 . 1 1 29 29 ILE CA C 29 57.247 57.247 60.226 -2.979 18364 10043 1 18 . 1 1 29 29 ILE CB C 29 39.144 39.144 40.135 -0.991 18364 10044 1 18 . 1 1 29 29 ILE H H 29 9.631 9.631 8.578 1.053 18364 10045 1 18 . 1 1 30 30 GLY N N 30 112.478 112.478 113.281 -0.803 18364 10046 1 18 . 1 1 30 30 GLY CA C 30 42.140 42.140 44.365 -2.225 18364 10047 1 18 . 1 1 30 30 GLY H H 30 8.095 8.095 7.768 0.327 18364 10048 1 18 . 1 1 31 31 GLY N N 31 108.502 108.502 104.322 4.180 18364 10049 1 18 . 1 1 31 31 GLY CA C 31 43.201 43.201 45.154 -1.953 18364 10050 1 18 . 1 1 31 31 GLY H H 31 9.755 9.755 8.143 1.612 18364 10051 1 18 . 1 1 32 32 ALA N N 32 122.020 122.020 121.190 0.830 18364 10052 1 18 . 1 1 32 32 ALA HA H 32 4.967 4.967 5.294 -0.327 18364 10053 1 18 . 1 1 32 32 ALA CA C 32 48.540 48.540 50.098 -1.558 18364 10054 1 18 . 1 1 32 32 ALA CB C 32 21.078 21.078 22.370 -1.292 18364 10055 1 18 . 1 1 32 32 ALA H H 32 7.338 7.338 7.286 0.052 18364 10056 1 18 . 1 1 33 33 ASP N N 33 121.217 121.217 121.022 0.195 18364 10057 1 18 . 1 1 33 33 ASP HA H 33 3.680 3.680 4.880 -1.200 18364 10058 1 18 . 1 1 33 33 ASP CA C 33 49.520 49.520 52.472 -2.952 18364 10059 1 18 . 1 1 33 33 ASP CB C 33 40.840 40.840 44.346 -3.506 18364 10060 1 18 . 1 1 33 33 ASP H H 33 8.945 8.945 9.001 -0.056 18364 10061 1 18 . 1 1 34 34 LYS N N 34 117.693 117.693 121.696 -4.003 18364 10062 1 18 . 1 1 34 34 LYS HA H 34 4.017 4.017 4.225 -0.208 18364 10063 1 18 . 1 1 34 34 LYS CA C 34 56.700 56.700 56.713 -0.013 18364 10064 1 18 . 1 1 34 34 LYS CB C 34 29.772 29.772 30.854 -1.082 18364 10065 1 18 . 1 1 34 34 LYS H H 34 8.200 8.200 8.675 -0.475 18364 10066 1 18 . 1 1 35 35 GLY N N 35 106.697 106.697 110.803 -4.106 18364 10067 1 18 . 1 1 35 35 GLY CA C 35 42.719 42.719 44.496 -1.777 18364 10068 1 18 . 1 1 35 35 GLY H H 35 8.653 8.653 8.530 0.123 18364 10069 1 18 . 1 1 36 36 GLY N N 36 110.824 110.824 108.576 2.248 18364 10070 1 18 . 1 1 36 36 GLY CA C 36 41.099 41.099 45.333 -4.234 18364 10071 1 18 . 1 1 36 36 GLY H H 36 7.601 7.601 7.855 -0.254 18364 10072 1 18 . 1 1 37 37 PRO HA H 37 4.571 4.571 4.779 -0.208 18364 10073 1 18 . 1 1 37 37 PRO CA C 37 60.012 60.012 62.169 -2.157 18364 10074 1 18 . 1 1 37 37 PRO CB C 37 29.470 29.470 32.155 -2.685 18364 10075 1 18 . 1 1 38 38 ALA N N 38 127.841 127.841 129.083 -1.242 18364 10076 1 18 . 1 1 38 38 ALA HA H 38 4.127 4.127 4.215 -0.088 18364 10077 1 18 . 1 1 38 38 ALA CA C 38 48.117 48.117 51.819 -3.702 18364 10078 1 18 . 1 1 38 38 ALA CB C 38 16.655 16.655 19.437 -2.782 18364 10079 1 18 . 1 1 38 38 ALA H H 38 7.486 7.486 8.103 -0.617 18364 10080 1 18 . 1 1 39 39 LYS N N 39 121.148 121.148 124.031 -2.883 18364 10081 1 18 . 1 1 39 39 LYS HA H 39 4.115 4.115 4.380 -0.265 18364 10082 1 18 . 1 1 39 39 LYS CA C 39 55.674 55.674 57.074 -1.400 18364 10083 1 18 . 1 1 39 39 LYS CB C 39 31.223 31.223 33.105 -1.882 18364 10084 1 18 . 1 1 39 39 LYS H H 39 8.042 8.042 8.490 -0.448 18364 10085 1 18 . 1 1 40 40 LEU N N 40 118.817 118.817 121.079 -2.262 18364 10086 1 18 . 1 1 40 40 LEU HA H 40 5.122 5.122 5.037 0.085 18364 10087 1 18 . 1 1 40 40 LEU CA C 40 50.156 50.156 53.009 -2.853 18364 10088 1 18 . 1 1 40 40 LEU CB C 40 42.172 42.172 43.537 -1.365 18364 10089 1 18 . 1 1 40 40 LEU H H 40 7.901 7.901 8.766 -0.865 18364 10090 1 18 . 1 1 41 41 TYR N N 41 117.843 117.843 119.880 -2.037 18364 10091 1 18 . 1 1 41 41 TYR HA H 41 5.303 5.303 5.250 0.053 18364 10092 1 18 . 1 1 41 41 TYR CA C 41 53.394 53.394 56.479 -3.085 18364 10093 1 18 . 1 1 41 41 TYR CB C 41 39.419 39.419 41.735 -2.316 18364 10094 1 18 . 1 1 41 41 TYR H H 41 9.109 9.109 9.566 -0.457 18364 10095 1 18 . 1 1 42 42 ASN N N 42 117.689 117.689 120.144 -2.455 18364 10096 1 18 . 1 1 42 42 ASN HA H 42 4.984 4.984 4.893 0.091 18364 10097 1 18 . 1 1 42 42 ASN CA C 42 48.001 48.001 51.857 -3.856 18364 10098 1 18 . 1 1 42 42 ASN CB C 42 36.514 36.514 39.768 -3.254 18364 10099 1 18 . 1 1 42 42 ASN H H 42 8.239 8.239 8.752 -0.513 18364 10100 1 18 . 1 1 43 43 ASP N N 43 116.760 116.760 119.529 -2.769 18364 10101 1 18 . 1 1 43 43 ASP HA H 43 4.170 4.170 4.514 -0.344 18364 10102 1 18 . 1 1 43 43 ASP CA C 43 53.123 53.123 56.043 -2.920 18364 10103 1 18 . 1 1 43 43 ASP CB C 43 37.355 37.355 40.552 -3.197 18364 10104 1 18 . 1 1 43 43 ASP H H 43 8.650 8.650 8.777 -0.127 18364 10105 1 18 . 1 1 44 44 LYS N N 44 118.108 118.108 117.617 0.491 18364 10106 1 18 . 1 1 44 44 LYS HA H 44 4.359 4.359 4.330 0.029 18364 10107 1 18 . 1 1 44 44 LYS CA C 44 52.676 52.676 56.118 -3.442 18364 10108 1 18 . 1 1 44 44 LYS CB C 44 30.170 30.170 32.995 -2.825 18364 10109 1 18 . 1 1 44 44 LYS H H 44 7.505 7.505 8.112 -0.607 18364 10110 1 18 . 1 1 45 45 GLY N N 45 108.163 108.163 107.786 0.377 18364 10111 1 18 . 1 1 45 45 GLY CA C 45 42.988 42.988 45.252 -2.264 18364 10112 1 18 . 1 1 45 45 GLY H H 45 8.117 8.117 7.897 0.220 18364 10113 1 18 . 1 1 46 46 GLU N N 46 120.173 120.173 118.872 1.301 18364 10114 1 18 . 1 1 46 46 GLU HA H 46 4.345 4.345 4.713 -0.368 18364 10115 1 18 . 1 1 46 46 GLU CA C 46 52.409 52.409 55.001 -2.592 18364 10116 1 18 . 1 1 46 46 GLU CB C 46 27.408 27.408 30.537 -3.129 18364 10117 1 18 . 1 1 46 46 GLU H H 46 7.884 7.884 8.006 -0.122 18364 10118 1 18 . 1 1 47 47 TYR N N 47 123.803 123.803 121.557 2.246 18364 10119 1 18 . 1 1 47 47 TYR HA H 47 4.351 4.351 3.789 0.562 18364 10120 1 18 . 1 1 47 47 TYR CA C 47 54.317 54.317 57.840 -3.523 18364 10121 1 18 . 1 1 47 47 TYR CB C 47 35.858 35.858 38.551 -2.693 18364 10122 1 18 . 1 1 47 47 TYR H H 47 8.710 8.710 8.620 0.090 18364 10123 1 18 . 1 1 48 48 ILE N N 48 123.458 123.458 118.731 4.727 18364 10124 1 18 . 1 1 48 48 ILE HA H 48 4.173 4.173 4.378 -0.205 18364 10125 1 18 . 1 1 48 48 ILE CA C 48 58.314 58.314 60.705 -2.391 18364 10126 1 18 . 1 1 48 48 ILE CB C 48 36.129 36.129 39.151 -3.022 18364 10127 1 18 . 1 1 48 48 ILE H H 48 8.416 8.416 8.793 -0.377 18364 10128 1 18 . 1 1 49 49 GLY N N 49 107.257 107.257 110.025 -2.768 18364 10129 1 18 . 1 1 49 49 GLY CA C 49 41.367 41.367 45.818 -4.451 18364 10130 1 18 . 1 1 49 49 GLY H H 49 5.472 5.472 7.654 -2.182 18364 10131 1 18 . 1 1 50 50 ASP N N 50 116.887 116.887 115.982 0.905 18364 10132 1 18 . 1 1 50 50 ASP HA H 50 5.043 5.043 4.941 0.102 18364 10133 1 18 . 1 1 50 50 ASP CA C 50 50.588 50.588 53.581 -2.993 18364 10134 1 18 . 1 1 50 50 ASP CB C 50 37.448 37.448 42.449 -5.001 18364 10135 1 18 . 1 1 50 50 ASP H H 50 8.234 8.234 8.629 -0.395 18364 10136 1 18 . 1 1 51 51 SER N N 51 112.664 112.664 113.762 -1.098 18364 10137 1 18 . 1 1 51 51 SER HA H 51 4.439 4.439 4.656 -0.217 18364 10138 1 18 . 1 1 51 51 SER CA C 51 55.489 55.489 58.186 -2.697 18364 10139 1 18 . 1 1 51 51 SER CB C 51 61.559 61.559 64.609 -3.050 18364 10140 1 18 . 1 1 51 51 SER H H 51 7.689 7.689 7.709 -0.020 18364 10141 1 18 . 1 1 52 52 TYR N N 52 122.672 122.672 122.904 -0.232 18364 10142 1 18 . 1 1 52 52 TYR HA H 52 4.732 4.732 4.958 -0.226 18364 10143 1 18 . 1 1 52 52 TYR CA C 52 55.168 55.168 57.015 -1.847 18364 10144 1 18 . 1 1 52 52 TYR CB C 52 38.599 38.599 39.233 -0.634 18364 10145 1 18 . 1 1 52 52 TYR H H 52 8.231 8.231 8.172 0.059 18364 10146 1 18 . 1 1 53 53 SER N N 53 123.803 123.803 116.132 7.671 18364 10147 1 18 . 1 1 53 53 SER HA H 53 5.429 5.429 5.585 -0.156 18364 10148 1 18 . 1 1 53 53 SER CA C 53 53.508 53.508 57.041 -3.533 18364 10149 1 18 . 1 1 53 53 SER CB C 53 61.674 61.674 66.036 -4.362 18364 10150 1 18 . 1 1 53 53 SER H H 53 8.008 8.008 8.618 -0.610 18364 10151 1 18 . 1 1 54 54 ALA N N 54 125.516 125.516 123.835 1.681 18364 10152 1 18 . 1 1 54 54 ALA HA H 54 4.289 4.289 4.809 -0.520 18364 10153 1 18 . 1 1 54 54 ALA CA C 54 49.097 49.097 50.779 -1.682 18364 10154 1 18 . 1 1 54 54 ALA CB C 54 20.259 20.259 22.039 -1.780 18364 10155 1 18 . 1 1 54 54 ALA H H 54 8.089 8.089 8.889 -0.800 18364 10156 1 18 . 1 1 55 55 GLN N N 55 118.838 118.838 118.742 0.096 18364 10157 1 18 . 1 1 55 55 GLN HA H 55 4.975 4.975 5.003 -0.028 18364 10158 1 18 . 1 1 55 55 GLN CA C 55 52.306 52.306 53.684 -1.379 18364 10159 1 18 . 1 1 55 55 GLN CB C 55 26.138 26.138 32.402 -6.264 18364 10160 1 18 . 1 1 55 55 GLN H H 55 8.100 8.100 8.509 -0.409 18364 10161 1 18 . 1 1 56 56 ILE N N 56 124.748 124.748 127.148 -2.400 18364 10162 1 18 . 1 1 56 56 ILE HA H 56 4.246 4.246 4.227 0.019 18364 10163 1 18 . 1 1 56 56 ILE CA C 56 57.529 57.529 60.313 -2.784 18364 10164 1 18 . 1 1 56 56 ILE CB C 56 34.915 34.915 35.790 -0.875 18364 10165 1 18 . 1 1 56 56 ILE H H 56 8.910 8.910 8.290 0.620 18364 10166 1 18 . 1 1 57 57 ARG N N 57 127.183 127.183 124.372 2.811 18364 10167 1 18 . 1 1 57 57 ARG HA H 57 4.777 4.777 4.639 0.138 18364 10168 1 18 . 1 1 57 57 ARG CA C 57 52.455 52.455 55.715 -3.260 18364 10169 1 18 . 1 1 57 57 ARG CB C 57 28.839 28.839 30.974 -2.135 18364 10170 1 18 . 1 1 57 57 ARG H H 57 8.979 8.979 8.115 0.864 18364 10171 1 18 . 1 1 58 58 THR N N 58 109.995 109.995 109.656 0.339 18364 10172 1 18 . 1 1 58 58 THR HA H 58 4.529 4.529 4.728 -0.199 18364 10173 1 18 . 1 1 58 58 THR CA C 58 57.124 57.124 59.481 -2.357 18364 10174 1 18 . 1 1 58 58 THR CB C 58 68.143 68.143 70.918 -2.775 18364 10175 1 18 . 1 1 58 58 THR H H 58 7.150 7.150 7.391 -0.241 18364 10176 1 18 . 1 1 59 59 ALA N N 59 123.143 123.143 122.023 1.120 18364 10177 1 18 . 1 1 59 59 ALA HA H 59 4.167 4.167 4.177 -0.010 18364 10178 1 18 . 1 1 59 59 ALA CA C 59 52.603 52.603 54.186 -1.583 18364 10179 1 18 . 1 1 59 59 ALA CB C 59 16.910 16.910 19.076 -2.166 18364 10180 1 18 . 1 1 59 59 ALA H H 59 8.531 8.531 8.501 0.030 18364 10181 1 18 . 1 1 60 60 THR N N 60 105.988 105.988 106.398 -0.410 18364 10182 1 18 . 1 1 60 60 THR HA H 60 5.471 5.471 4.993 0.478 18364 10183 1 18 . 1 1 60 60 THR CA C 60 56.904 56.904 61.048 -4.144 18364 10184 1 18 . 1 1 60 60 THR CB C 60 69.111 69.111 71.758 -2.647 18364 10185 1 18 . 1 1 60 60 THR H H 60 7.521 7.521 7.536 -0.015 18364 10186 1 18 . 1 1 61 61 MET N N 61 124.706 124.706 121.291 3.415 18364 10187 1 18 . 1 1 61 61 MET HA H 61 4.641 4.641 4.952 -0.311 18364 10188 1 18 . 1 1 61 61 MET CA C 61 52.883 52.883 54.585 -1.702 18364 10189 1 18 . 1 1 61 61 MET CB C 61 32.345 32.345 37.470 -5.125 18364 10190 1 18 . 1 1 61 61 MET H H 61 8.758 8.758 9.246 -0.488 18364 10191 1 18 . 1 1 62 62 SER N N 62 117.004 117.004 116.077 0.927 18364 10192 1 18 . 1 1 62 62 SER HA H 62 5.551 5.551 5.510 0.041 18364 10193 1 18 . 1 1 62 62 SER CA C 62 54.255 54.255 57.551 -3.296 18364 10194 1 18 . 1 1 62 62 SER CB C 62 64.130 64.130 65.866 -1.736 18364 10195 1 18 . 1 1 62 62 SER H H 62 8.164 8.164 8.560 -0.396 18364 10196 1 18 . 1 1 63 63 CYS N N 63 120.270 120.270 118.851 1.419 18364 10197 1 18 . 1 1 63 63 CYS HA H 63 5.075 5.075 5.170 -0.095 18364 10198 1 18 . 1 1 63 63 CYS CA C 63 54.676 54.676 57.530 -2.854 18364 10199 1 18 . 1 1 63 63 CYS CB C 63 28.679 28.679 32.555 -3.876 18364 10200 1 18 . 1 1 63 63 CYS H H 63 8.537 8.537 8.894 -0.357 18364 10201 1 18 . 1 1 64 64 CYS N N 64 120.868 120.868 118.271 2.597 18364 10202 1 18 . 1 1 64 64 CYS HA H 64 5.918 5.918 5.418 0.500 18364 10203 1 18 . 1 1 64 64 CYS CA C 64 53.204 53.204 56.762 -3.558 18364 10204 1 18 . 1 1 64 64 CYS CB C 64 30.216 30.216 31.625 -1.409 18364 10205 1 18 . 1 1 64 64 CYS H H 64 9.307 9.307 8.796 0.511 18364 10206 1 18 . 1 1 65 65 THR N N 65 109.830 109.830 111.909 -2.079 18364 10207 1 18 . 1 1 65 65 THR HA H 65 5.426 5.426 5.290 0.136 18364 10208 1 18 . 1 1 65 65 THR CA C 65 58.465 58.465 60.242 -1.777 18364 10209 1 18 . 1 1 65 65 THR CB C 65 69.665 69.665 71.010 -1.345 18364 10210 1 18 . 1 1 65 65 THR H H 65 8.447 8.447 8.571 -0.124 18364 10211 1 18 . 1 1 66 66 ASN N N 66 114.459 114.459 117.816 -3.357 18364 10212 1 18 . 1 1 66 66 ASN HA H 66 4.656 4.656 4.568 0.088 18364 10213 1 18 . 1 1 66 66 ASN CA C 66 49.879 49.879 51.917 -2.038 18364 10214 1 18 . 1 1 66 66 ASN CB C 66 36.267 36.267 39.041 -2.774 18364 10215 1 18 . 1 1 66 66 ASN H H 66 9.300 9.300 8.463 0.837 18364 10216 1 18 . 1 1 67 67 GLY N N 67 103.647 103.647 103.905 -0.258 18364 10217 1 18 . 1 1 67 67 GLY CA C 67 43.796 43.796 45.813 -2.018 18364 10218 1 18 . 1 1 67 67 GLY H H 67 8.237 8.237 8.511 -0.274 18364 10219 1 18 . 1 1 69 69 ALA N N 69 121.911 121.911 123.613 -1.702 18364 10220 1 18 . 1 1 69 69 ALA HA H 69 4.244 4.244 4.651 -0.407 18364 10221 1 18 . 1 1 69 69 ALA CA C 69 49.758 49.758 51.528 -1.770 18364 10222 1 18 . 1 1 69 69 ALA CB C 69 17.376 17.376 21.394 -4.018 18364 10223 1 18 . 1 1 69 69 ALA H H 69 7.677 7.677 7.437 0.240 18364 10224 1 18 . 1 1 70 70 PHE N N 70 114.118 114.118 116.514 -2.396 18364 10225 1 18 . 1 1 70 70 PHE HA H 70 4.965 4.965 5.002 -0.037 18364 10226 1 18 . 1 1 70 70 PHE CA C 70 53.129 53.129 58.217 -5.088 18364 10227 1 18 . 1 1 70 70 PHE CB C 70 37.917 37.917 42.696 -4.779 18364 10228 1 18 . 1 1 70 70 PHE H H 70 8.549 8.549 8.147 0.402 18364 10229 1 18 . 1 1 71 71 PHE N N 71 110.252 110.252 113.869 -3.617 18364 10230 1 18 . 1 1 71 71 PHE HA H 71 4.247 4.247 4.837 -0.590 18364 10231 1 18 . 1 1 71 71 PHE CA C 71 54.475 54.475 55.539 -1.064 18364 10232 1 18 . 1 1 71 71 PHE CB C 71 38.123 38.123 41.181 -3.058 18364 10233 1 18 . 1 1 71 71 PHE H H 71 6.617 6.617 6.779 -0.162 18364 10234 1 18 . 1 1 72 72 MET N N 72 118.637 118.637 118.045 0.592 18364 10235 1 18 . 1 1 72 72 MET HA H 72 4.800 4.800 4.740 0.060 18364 10236 1 18 . 1 1 72 72 MET CA C 72 53.108 53.108 54.995 -1.887 18364 10237 1 18 . 1 1 72 72 MET CB C 72 35.826 35.826 37.185 -1.359 18364 10238 1 18 . 1 1 72 72 MET H H 72 8.162 8.162 8.460 -0.298 18364 10239 1 18 . 1 1 73 73 THR N N 73 117.278 117.278 115.827 1.451 18364 10240 1 18 . 1 1 73 73 THR HA H 73 5.018 5.018 5.191 -0.173 18364 10241 1 18 . 1 1 73 73 THR CA C 73 58.316 58.316 61.323 -3.007 18364 10242 1 18 . 1 1 73 73 THR CB C 73 69.118 69.118 72.010 -2.892 18364 10243 1 18 . 1 1 73 73 THR H H 73 9.220 9.220 8.276 0.944 18364 10244 1 18 . 1 1 74 74 CYS N N 74 124.101 124.101 125.934 -1.833 18364 10245 1 18 . 1 1 74 74 CYS HA H 74 5.076 5.076 5.249 -0.173 18364 10246 1 18 . 1 1 74 74 CYS CA C 74 54.219 54.219 57.292 -3.073 18364 10247 1 18 . 1 1 74 74 CYS CB C 74 27.012 27.012 29.683 -2.671 18364 10248 1 18 . 1 1 74 74 CYS H H 74 8.958 8.958 8.639 0.319 18364 10249 1 18 . 1 1 75 75 ALA N N 75 132.901 132.901 130.376 2.525 18364 10250 1 18 . 1 1 75 75 ALA HA H 75 4.975 4.975 5.373 -0.398 18364 10251 1 18 . 1 1 75 75 ALA CA C 75 47.826 47.826 50.356 -2.530 18364 10252 1 18 . 1 1 75 75 ALA CB C 75 18.111 18.111 21.401 -3.290 18364 10253 1 18 . 1 1 75 75 ALA H H 75 8.834 8.834 8.226 0.608 18364 10254 1 18 . 1 1 76 76 GLY N N 76 110.691 110.691 111.676 -0.985 18364 10255 1 18 . 1 1 76 76 GLY CA C 76 41.784 41.784 43.830 -2.046 18364 10256 1 18 . 1 1 76 76 GLY H H 76 8.265 8.265 7.553 0.712 18364 10257 1 18 . 1 1 77 77 SER N N 77 115.145 115.145 113.547 1.598 18364 10258 1 18 . 1 1 77 77 SER HA H 77 4.980 4.980 4.664 0.316 18364 10259 1 18 . 1 1 77 77 SER CA C 77 54.022 54.022 57.239 -3.217 18364 10260 1 18 . 1 1 77 77 SER CB C 77 62.987 62.987 66.505 -3.518 18364 10261 1 18 . 1 1 77 77 SER H H 77 8.723 8.723 8.762 -0.039 18364 10262 1 18 . 1 1 78 78 VAL N N 78 124.775 124.775 118.324 6.451 18364 10263 1 18 . 1 1 78 78 VAL HA H 78 4.634 4.634 4.967 -0.333 18364 10264 1 18 . 1 1 78 78 VAL CA C 78 58.437 58.437 59.884 -1.447 18364 10265 1 18 . 1 1 78 78 VAL CB C 78 32.177 32.177 34.715 -2.538 18364 10266 1 18 . 1 1 78 78 VAL H H 78 8.963 8.963 8.798 0.165 18364 10267 1 18 . 1 1 79 79 SER N N 79 118.951 118.951 119.470 -0.519 18364 10268 1 18 . 1 1 79 79 SER HA H 79 5.619 5.619 5.156 0.463 18364 10269 1 18 . 1 1 79 79 SER CA C 79 53.011 53.011 57.087 -4.076 18364 10270 1 18 . 1 1 79 79 SER CB C 79 64.197 64.197 65.982 -1.785 18364 10271 1 18 . 1 1 79 79 SER H H 79 8.661 8.661 8.305 0.356 18364 10272 1 18 . 1 1 80 80 SER N N 80 114.750 114.750 114.316 0.434 18364 10273 1 18 . 1 1 80 80 SER HA H 80 4.439 4.439 4.957 -0.518 18364 10274 1 18 . 1 1 80 80 SER CA C 80 56.198 56.198 57.550 -1.352 18364 10275 1 18 . 1 1 80 80 SER CB C 80 63.490 63.490 65.293 -1.802 18364 10276 1 18 . 1 1 80 80 SER H H 80 8.563 8.563 8.615 -0.052 18364 10277 1 18 . 1 1 81 81 ILE N N 81 120.003 120.003 117.510 2.493 18364 10278 1 18 . 1 1 81 81 ILE HA H 81 4.576 4.576 4.564 0.012 18364 10279 1 18 . 1 1 81 81 ILE CA C 81 57.951 57.951 60.428 -2.478 18364 10280 1 18 . 1 1 81 81 ILE CB C 81 36.011 36.011 39.249 -3.238 18364 10281 1 18 . 1 1 81 81 ILE H H 81 8.366 8.366 8.518 -0.152 18364 10282 1 18 . 1 1 82 82 SER N N 82 119.139 119.139 117.914 1.225 18364 10283 1 18 . 1 1 82 82 SER HA H 82 4.158 4.158 4.512 -0.354 18364 10284 1 18 . 1 1 82 82 SER CA C 82 56.910 56.910 57.096 -0.187 18364 10285 1 18 . 1 1 82 82 SER CB C 82 62.055 62.055 65.062 -3.007 18364 10286 1 18 . 1 1 82 82 SER H H 82 8.204 8.204 7.413 0.791 18364 10287 1 18 . 1 1 83 83 GLU N N 83 118.350 118.350 119.718 -1.368 18364 10288 1 18 . 1 1 83 83 GLU HA H 83 4.133 4.133 4.220 -0.087 18364 10289 1 18 . 1 1 83 83 GLU CA C 83 53.267 53.267 56.428 -3.161 18364 10290 1 18 . 1 1 83 83 GLU CB C 83 27.763 27.763 30.528 -2.765 18364 10291 1 18 . 1 1 83 83 GLU H H 83 8.381 8.381 8.590 -0.209 18364 10292 1 18 . 1 1 84 84 ALA N N 84 121.665 121.665 122.425 -0.760 18364 10293 1 18 . 1 1 84 84 ALA HA H 84 3.542 3.542 4.071 -0.529 18364 10294 1 18 . 1 1 84 84 ALA CA C 84 50.621 50.621 53.237 -2.616 18364 10295 1 18 . 1 1 84 84 ALA CB C 84 16.540 16.540 19.090 -2.550 18364 10296 1 18 . 1 1 84 84 ALA H H 84 8.482 8.482 8.368 0.114 18364 10297 1 18 . 1 1 85 85 GLY N N 85 108.356 108.356 106.271 2.085 18364 10298 1 18 . 1 1 85 85 GLY CA C 85 42.955 42.955 45.630 -2.675 18364 10299 1 18 . 1 1 85 85 GLY H H 85 8.078 8.078 8.795 -0.717 18364 10300 1 18 . 1 1 86 86 LYS N N 86 121.491 121.491 120.639 0.852 18364 10301 1 18 . 1 1 86 86 LYS HA H 86 4.638 4.638 4.287 0.351 18364 10302 1 18 . 1 1 86 86 LYS CA C 86 51.073 51.073 56.414 -5.341 18364 10303 1 18 . 1 1 86 86 LYS CB C 86 29.750 29.750 33.136 -3.386 18364 10304 1 18 . 1 1 86 86 LYS H H 86 8.225 8.225 7.479 0.746 18364 10305 1 18 . 1 1 87 87 ARG N N 87 121.874 121.874 117.277 4.597 18364 10306 1 18 . 1 1 87 87 ARG HA H 87 5.673 5.673 5.414 0.259 18364 10307 1 18 . 1 1 87 87 ARG CA C 87 52.139 52.139 54.900 -2.761 18364 10308 1 18 . 1 1 87 87 ARG CB C 87 32.163 32.163 34.733 -2.570 18364 10309 1 18 . 1 1 87 87 ARG H H 87 9.979 9.979 8.315 1.664 18364 10310 1 18 . 1 1 88 88 LEU N N 88 125.264 125.264 121.615 3.649 18364 10311 1 18 . 1 1 88 88 LEU HA H 88 4.562 4.562 4.711 -0.149 18364 10312 1 18 . 1 1 88 88 LEU CA C 88 50.284 50.284 54.957 -4.673 18364 10313 1 18 . 1 1 88 88 LEU CB C 88 42.309 42.309 44.281 -1.972 18364 10314 1 18 . 1 1 88 88 LEU H H 88 8.756 8.756 8.483 0.273 18364 10315 1 18 . 1 1 89 89 HIS N N 89 125.453 125.453 126.593 -1.140 18364 10316 1 18 . 1 1 89 89 HIS HA H 89 5.188 5.188 5.120 0.068 18364 10317 1 18 . 1 1 89 89 HIS CA C 89 51.389 51.389 54.577 -3.188 18364 10318 1 18 . 1 1 89 89 HIS CB C 89 27.731 27.731 32.825 -5.094 18364 10319 1 18 . 1 1 89 89 HIS H H 89 8.910 8.910 9.008 -0.098 18364 10320 1 18 . 1 1 90 90 ILE N N 90 126.486 126.486 127.322 -0.836 18364 10321 1 18 . 1 1 90 90 ILE HA H 90 5.020 5.020 4.816 0.204 18364 10322 1 18 . 1 1 90 90 ILE CA C 90 55.642 55.642 59.653 -4.011 18364 10323 1 18 . 1 1 90 90 ILE CB C 90 38.696 38.696 40.983 -2.287 18364 10324 1 18 . 1 1 90 90 ILE H H 90 8.689 8.689 8.566 0.123 18364 10325 1 18 . 1 1 91 91 THR N N 91 123.200 123.200 123.354 -0.154 18364 10326 1 18 . 1 1 91 91 THR HA H 91 5.017 5.017 4.646 0.371 18364 10327 1 18 . 1 1 91 91 THR CA C 91 58.555 58.555 61.671 -3.116 18364 10328 1 18 . 1 1 91 91 THR CB C 91 68.702 68.702 69.584 -0.882 18364 10329 1 18 . 1 1 91 91 THR H H 91 8.636 8.636 8.940 -0.304 18364 10330 1 18 . 1 1 92 92 VAL N N 92 127.071 127.071 123.739 3.332 18364 10331 1 18 . 1 1 92 92 VAL HA H 92 5.018 5.018 4.702 0.316 18364 10332 1 18 . 1 1 92 92 VAL CA C 92 57.969 57.969 60.824 -2.855 18364 10333 1 18 . 1 1 92 92 VAL CB C 92 31.323 31.323 32.976 -1.653 18364 10334 1 18 . 1 1 92 92 VAL H H 92 9.162 9.162 9.004 0.158 18364 10335 1 18 . 1 1 93 93 ILE N N 93 127.095 127.095 125.869 1.226 18364 10336 1 18 . 1 1 93 93 ILE HA H 93 4.461 4.461 5.164 -0.703 18364 10337 1 18 . 1 1 93 93 ILE CA C 93 57.972 57.972 59.683 -1.711 18364 10338 1 18 . 1 1 93 93 ILE CB C 93 38.929 38.929 41.618 -2.689 18364 10339 1 18 . 1 1 93 93 ILE H H 93 9.313 9.313 8.669 0.644 18364 10340 1 18 . 1 1 94 94 GLY N N 94 111.893 111.893 112.334 -0.441 18364 10341 1 18 . 1 1 94 94 GLY CA C 94 41.781 41.781 43.297 -1.516 18364 10342 1 18 . 1 1 94 94 GLY H H 94 8.577 8.577 8.632 -0.055 18364 10343 1 18 . 1 1 95 95 TYR N N 95 123.099 123.099 116.017 7.082 18364 10344 1 18 . 1 1 95 95 TYR HA H 95 5.399 5.399 5.375 0.024 18364 10345 1 18 . 1 1 95 95 TYR CA C 95 54.052 54.052 57.659 -3.607 18364 10346 1 18 . 1 1 95 95 TYR CB C 95 41.285 41.285 44.074 -2.789 18364 10347 1 18 . 1 1 95 95 TYR H H 95 9.640 9.640 8.585 1.055 18364 10348 1 18 . 1 1 96 96 ILE N N 96 116.705 116.705 121.832 -5.127 18364 10349 1 18 . 1 1 96 96 ILE HA H 96 4.208 4.208 4.171 0.037 18364 10350 1 18 . 1 1 96 96 ILE CA C 96 58.977 58.977 60.911 -1.934 18364 10351 1 18 . 1 1 96 96 ILE CB C 96 37.245 37.245 38.919 -1.674 18364 10352 1 18 . 1 1 96 96 ILE H H 96 8.270 8.270 8.690 -0.420 18364 10353 1 18 . 1 1 97 97 ASP N N 97 130.442 130.442 126.453 3.989 18364 10354 1 18 . 1 1 97 97 ASP HA H 97 4.165 4.165 4.257 -0.092 18364 10355 1 18 . 1 1 97 97 ASP CA C 97 53.736 53.736 58.043 -4.307 18364 10356 1 18 . 1 1 97 97 ASP CB C 97 36.870 36.870 40.302 -3.432 18364 10357 1 18 . 1 1 97 97 ASP H H 97 9.849 9.849 9.076 0.773 18364 10358 1 18 . 1 1 98 98 ASP N N 98 114.957 114.957 118.251 -3.294 18364 10359 1 18 . 1 1 98 98 ASP HA H 98 4.694 4.694 4.908 -0.214 18364 10360 1 18 . 1 1 98 98 ASP CB C 98 36.266 36.266 43.120 -6.854 18364 10361 1 18 . 1 1 98 98 ASP H H 98 8.355 8.355 8.098 0.257 18364 10362 1 18 . 1 1 99 99 LYS N N 99 121.680 121.680 120.242 1.438 18364 10363 1 18 . 1 1 99 99 LYS HA H 99 4.590 4.590 4.616 -0.026 18364 10364 1 18 . 1 1 99 99 LYS CA C 99 52.354 52.354 54.883 -2.529 18364 10365 1 18 . 1 1 99 99 LYS CB C 99 30.958 30.958 34.995 -4.037 18364 10366 1 18 . 1 1 99 99 LYS H H 99 8.049 8.049 7.818 0.231 18364 10367 1 18 . 1 1 100 100 GLU N N 100 127.574 127.574 123.390 4.184 18364 10368 1 18 . 1 1 100 100 GLU HA H 100 3.804 3.804 3.933 -0.129 18364 10369 1 18 . 1 1 100 100 GLU CA C 100 54.562 54.562 54.813 -0.251 18364 10370 1 18 . 1 1 100 100 GLU CB C 100 26.808 26.808 29.362 -2.554 18364 10371 1 18 . 1 1 100 100 GLU H H 100 8.839 8.839 8.575 0.264 18364 10372 1 18 . 1 1 101 101 VAL N N 101 120.606 120.606 119.981 0.625 18364 10373 1 18 . 1 1 101 101 VAL HA H 101 4.534 4.534 4.407 0.127 18364 10374 1 18 . 1 1 101 101 VAL CA C 101 58.379 58.379 61.207 -2.828 18364 10375 1 18 . 1 1 101 101 VAL CB C 101 31.223 31.223 32.793 -1.570 18364 10376 1 18 . 1 1 101 101 VAL H H 101 8.997 8.997 8.365 0.632 18364 10377 1 18 . 1 1 102 102 ASN N N 102 118.568 118.568 119.655 -1.087 18364 10378 1 18 . 1 1 102 102 ASN HA H 102 4.782 4.782 4.819 -0.037 18364 10379 1 18 . 1 1 102 102 ASN CA C 102 50.154 50.154 54.068 -3.914 18364 10380 1 18 . 1 1 102 102 ASN CB C 102 38.848 38.848 40.258 -1.410 18364 10381 1 18 . 1 1 102 102 ASN H H 102 7.598 7.598 8.130 -0.532 18364 10382 1 18 . 1 1 103 103 ARG N N 103 120.366 120.366 125.162 -4.796 18364 10383 1 18 . 1 1 103 103 ARG HA H 103 5.051 5.051 5.437 -0.386 18364 10384 1 18 . 1 1 103 103 ARG CA C 103 52.900 52.900 55.440 -2.540 18364 10385 1 18 . 1 1 103 103 ARG CB C 103 31.710 31.710 32.345 -0.635 18364 10386 1 18 . 1 1 103 103 ARG H H 103 8.155 8.155 8.368 -0.213 18364 10387 1 18 . 1 1 104 104 LEU N N 104 128.859 128.859 123.729 5.130 18364 10388 1 18 . 1 1 104 104 LEU HA H 104 4.553 4.553 5.087 -0.534 18364 10389 1 18 . 1 1 104 104 LEU CA C 104 51.272 51.272 53.503 -2.231 18364 10390 1 18 . 1 1 104 104 LEU CB C 104 43.549 43.549 46.087 -2.538 18364 10391 1 18 . 1 1 104 104 LEU H H 104 9.271 9.271 8.922 0.349 18364 10392 1 18 . 1 1 105 105 GLU N N 105 125.663 125.663 118.251 7.412 18364 10393 1 18 . 1 1 105 105 GLU HA H 105 5.179 5.179 5.142 0.037 18364 10394 1 18 . 1 1 105 105 GLU CA C 105 51.966 51.966 55.174 -3.208 18364 10395 1 18 . 1 1 105 105 GLU CB C 105 29.358 29.358 33.102 -3.744 18364 10396 1 18 . 1 1 105 105 GLU H H 105 8.346 8.346 8.470 -0.124 18364 10397 1 18 . 1 1 106 106 LYS N N 106 123.659 123.659 120.366 3.293 18364 10398 1 18 . 1 1 106 106 LYS HA H 106 4.281 4.281 4.352 -0.071 18364 10399 1 18 . 1 1 106 106 LYS CA C 106 51.118 51.118 55.095 -3.977 18364 10400 1 18 . 1 1 106 106 LYS CB C 106 34.761 34.761 35.861 -1.100 18364 10401 1 18 . 1 1 106 106 LYS H H 106 8.526 8.526 7.944 0.582 18364 10402 1 18 . 1 1 107 107 GLU N N 107 121.917 121.917 118.749 3.168 18364 10403 1 18 . 1 1 107 107 GLU HA H 107 4.949 4.949 4.814 0.135 18364 10404 1 18 . 1 1 107 107 GLU CA C 107 51.404 51.404 53.822 -2.418 18364 10405 1 18 . 1 1 107 107 GLU CB C 107 29.906 29.906 32.687 -2.781 18364 10406 1 18 . 1 1 107 107 GLU H H 107 7.773 7.773 7.980 -0.207 18364 10407 1 18 . 1 1 108 108 TYR N N 108 124.981 124.981 120.168 4.813 18364 10408 1 18 . 1 1 108 108 TYR HA H 108 4.720 4.720 4.829 -0.109 18364 10409 1 18 . 1 1 108 108 TYR CA C 108 54.188 54.188 56.853 -2.665 18364 10410 1 18 . 1 1 108 108 TYR CB C 108 39.101 39.101 42.456 -3.354 18364 10411 1 18 . 1 1 108 108 TYR H H 108 9.031 9.031 8.701 0.330 18364 10412 1 18 . 1 1 109 109 ILE N N 109 121.680 121.680 122.012 -0.332 18364 10413 1 18 . 1 1 109 109 ILE HA H 109 5.471 5.471 5.035 0.436 18364 10414 1 18 . 1 1 109 109 ILE CA C 109 56.592 56.592 60.025 -3.433 18364 10415 1 18 . 1 1 109 109 ILE CB C 109 38.728 38.728 42.316 -3.588 18364 10416 1 18 . 1 1 109 109 ILE H H 109 8.475 8.475 8.454 0.022 18364 10417 1 18 . 1 1 110 110 THR N N 110 117.537 117.537 118.333 -0.796 18364 10418 1 18 . 1 1 110 110 THR HA H 110 4.521 4.521 4.509 0.012 18364 10419 1 18 . 1 1 110 110 THR CA C 110 59.337 59.337 61.931 -2.594 18364 10420 1 18 . 1 1 110 110 THR CB C 110 67.143 67.143 69.781 -2.638 18364 10421 1 18 . 1 1 110 110 THR H H 110 9.180 9.180 8.279 0.901 18364 10422 1 18 . 1 1 111 111 ASP N N 111 122.428 122.428 124.617 -2.189 18364 10423 1 18 . 1 1 111 111 ASP HA H 111 4.721 4.721 4.517 0.204 18364 10424 1 18 . 1 1 111 111 ASP CA C 111 50.135 50.135 54.924 -4.789 18364 10425 1 18 . 1 1 111 111 ASP CB C 111 39.613 39.613 40.679 -1.066 18364 10426 1 18 . 1 1 111 111 ASP H H 111 9.342 9.342 8.804 0.538 18364 10427 1 18 . 1 1 112 112 GLY N N 112 110.714 110.714 106.738 3.976 18364 10428 1 18 . 1 1 112 112 GLY CA C 112 43.084 43.084 44.779 -1.695 18364 10429 1 18 . 1 1 112 112 GLY H H 112 8.333 8.333 8.424 -0.091 18364 10430 1 18 . 1 1 113 113 ASN N N 113 119.462 119.462 118.244 1.218 18364 10431 1 18 . 1 1 113 113 ASN HA H 113 4.926 4.926 5.057 -0.131 18364 10432 1 18 . 1 1 113 113 ASN CA C 113 49.373 49.373 51.979 -2.606 18364 10433 1 18 . 1 1 113 113 ASN CB C 113 37.377 37.377 41.685 -4.308 18364 10434 1 18 . 1 1 113 113 ASN H H 113 8.210 8.210 8.374 -0.164 18364 10435 1 18 . 1 1 114 114 THR N N 114 117.962 117.962 113.097 4.865 18364 10436 1 18 . 1 1 114 114 THR HA H 114 4.136 4.136 4.091 0.045 18364 10437 1 18 . 1 1 114 114 THR CA C 114 62.066 62.066 62.510 -0.444 18364 10438 1 18 . 1 1 114 114 THR CB C 114 66.489 66.489 69.103 -2.614 18364 10439 1 18 . 1 1 114 114 THR H H 114 8.436 8.436 8.312 0.124 18364 10440 1 18 . 1 1 115 115 LEU N N 115 132.998 132.998 128.847 4.151 18364 10441 1 18 . 1 1 115 115 LEU HA H 115 4.607 4.607 4.636 -0.029 18364 10442 1 18 . 1 1 115 115 LEU CA C 115 52.335 52.335 55.127 -2.792 18364 10443 1 18 . 1 1 115 115 LEU CB C 115 41.546 41.546 43.534 -1.988 18364 10444 1 18 . 1 1 115 115 LEU H H 115 8.789 8.789 8.220 0.569 18364 10445 1 18 . 1 1 116 116 ILE N N 116 126.586 126.586 124.571 2.015 18364 10446 1 18 . 1 1 116 116 ILE HA H 116 4.784 4.784 4.876 -0.092 18364 10447 1 18 . 1 1 116 116 ILE CA C 116 58.270 58.270 60.354 -2.084 18364 10448 1 18 . 1 1 116 116 ILE CB C 116 37.909 37.909 41.847 -3.938 18364 10449 1 18 . 1 1 116 116 ILE H H 116 8.637 8.637 8.221 0.416 18364 10450 1 18 . 1 1 117 117 GLU N N 117 127.084 127.084 125.583 1.501 18364 10451 1 18 . 1 1 117 117 GLU HA H 117 4.830 4.830 4.875 -0.045 18364 10452 1 18 . 1 1 117 117 GLU CA C 117 51.847 51.847 54.377 -2.530 18364 10453 1 18 . 1 1 117 117 GLU CB C 117 32.299 32.299 34.740 -2.441 18364 10454 1 18 . 1 1 117 117 GLU H H 117 8.933 8.933 9.086 -0.153 18364 10455 1 18 . 1 1 118 118 THR N N 118 110.826 110.826 112.007 -1.181 18364 10456 1 18 . 1 1 118 118 THR HA H 118 5.190 5.190 4.477 0.713 18364 10457 1 18 . 1 1 118 118 THR CA C 118 57.036 57.036 60.755 -3.719 18364 10458 1 18 . 1 1 118 118 THR CB C 118 69.888 69.888 70.910 -1.022 18364 10459 1 18 . 1 1 118 118 THR H H 118 8.664 8.664 8.438 0.226 18364 10460 1 18 . 1 1 119 119 PHE N N 119 115.915 115.915 116.406 -0.491 18364 10461 1 18 . 1 1 119 119 PHE HA H 119 4.999 4.999 5.148 -0.149 18364 10462 1 18 . 1 1 119 119 PHE CA C 119 53.804 53.804 56.306 -2.502 18364 10463 1 18 . 1 1 119 119 PHE CB C 119 39.787 39.787 42.049 -2.262 18364 10464 1 18 . 1 1 119 119 PHE H H 119 8.087 8.087 7.694 0.393 18364 10465 1 18 . 1 1 120 120 SER N N 120 114.953 114.953 115.580 -0.627 18364 10466 1 18 . 1 1 120 120 SER HA H 120 5.383 5.383 5.485 -0.102 18364 10467 1 18 . 1 1 120 120 SER CA C 120 55.192 55.192 57.623 -2.432 18364 10468 1 18 . 1 1 120 120 SER CB C 120 62.113 62.113 66.256 -4.143 18364 10469 1 18 . 1 1 120 120 SER H H 120 8.627 8.627 8.474 0.153 18364 10470 1 18 . 1 1 121 121 VAL N N 121 124.122 124.122 124.687 -0.565 18364 10471 1 18 . 1 1 121 121 VAL HA H 121 4.349 4.349 4.536 -0.187 18364 10472 1 18 . 1 1 121 121 VAL CA C 121 59.005 59.005 61.308 -2.303 18364 10473 1 18 . 1 1 121 121 VAL CB C 121 34.127 34.127 34.727 -0.600 18364 10474 1 18 . 1 1 121 121 VAL H H 121 8.866 8.866 9.059 -0.193 18364 10475 1 18 . 1 1 122 122 SER N N 122 119.703 119.703 124.317 -4.614 18364 10476 1 18 . 1 1 122 122 SER HA H 122 5.598 5.598 5.144 0.454 18364 10477 1 18 . 1 1 122 122 SER CA C 122 53.065 53.065 58.627 -5.562 18364 10478 1 18 . 1 1 122 122 SER CB C 122 63.442 63.442 64.781 -1.339 18364 10479 1 18 . 1 1 122 122 SER H H 122 8.334 8.334 8.842 -0.508 18364 10480 1 18 . 1 1 123 123 THR N N 123 113.276 113.276 111.380 1.896 18364 10481 1 18 . 1 1 123 123 THR HA H 123 4.093 4.093 4.590 -0.497 18364 10482 1 18 . 1 1 123 123 THR CA C 123 60.143 60.143 62.855 -2.712 18364 10483 1 18 . 1 1 123 123 THR CB C 123 64.437 64.437 70.010 -5.573 18364 10484 1 18 . 1 1 123 123 THR H H 123 8.898 8.898 8.345 0.553 18364 10485 1 18 . 1 1 124 124 LYS N N 124 119.191 119.191 122.991 -3.800 18364 10486 1 18 . 1 1 124 124 LYS HA H 124 4.324 4.324 4.573 -0.249 18364 10487 1 18 . 1 1 124 124 LYS CA C 124 53.486 53.486 55.090 -1.604 18364 10488 1 18 . 1 1 124 124 LYS CB C 124 32.376 32.376 30.270 2.106 18364 10489 1 18 . 1 1 124 124 LYS H H 124 7.569 7.569 8.186 -0.617 18364 10490 1 18 . 1 1 125 125 GLU N N 125 124.243 124.243 122.977 1.266 18364 10491 1 18 . 1 1 125 125 GLU HA H 125 4.255 4.255 4.588 -0.333 18364 10492 1 18 . 1 1 125 125 GLU CA C 125 53.830 53.830 55.469 -1.639 18364 10493 1 18 . 1 1 125 125 GLU CB C 125 27.674 27.674 31.680 -4.005 18364 10494 1 18 . 1 1 125 125 GLU H H 125 8.359 8.359 7.981 0.378 18364 10495 1 19 . 1 1 2 2 ALA CA C 2 50.698 50.698 52.105 -1.407 18364 10496 1 19 . 1 1 2 2 ALA CB C 2 16.688 16.688 18.823 -2.135 18364 10497 1 19 . 1 1 3 3 SER N N 3 113.663 113.663 116.936 -3.273 18364 10498 1 19 . 1 1 3 3 SER HA H 3 4.296 4.296 4.306 -0.010 18364 10499 1 19 . 1 1 3 3 SER CA C 3 55.573 55.573 57.350 -1.777 18364 10500 1 19 . 1 1 3 3 SER CB C 3 60.888 60.888 64.828 -3.940 18364 10501 1 19 . 1 1 3 3 SER H H 3 8.301 8.301 8.215 0.086 18364 10502 1 19 . 1 1 4 4 ASP N N 4 121.532 121.532 122.854 -1.322 18364 10503 1 19 . 1 1 4 4 ASP HA H 4 4.394 4.394 4.703 -0.309 18364 10504 1 19 . 1 1 4 4 ASP CA C 4 51.748 51.748 53.973 -2.225 18364 10505 1 19 . 1 1 4 4 ASP CB C 4 38.614 38.614 41.836 -3.222 18364 10506 1 19 . 1 1 4 4 ASP H H 4 7.874 7.874 8.134 -0.260 18364 10507 1 19 . 1 1 5 5 PHE N N 5 119.126 119.126 122.157 -3.031 18364 10508 1 19 . 1 1 5 5 PHE HA H 5 4.535 4.535 4.882 -0.347 18364 10509 1 19 . 1 1 5 5 PHE CA C 5 54.589 54.589 57.291 -2.702 18364 10510 1 19 . 1 1 5 5 PHE CB C 5 37.079 37.079 40.831 -3.752 18364 10511 1 19 . 1 1 5 5 PHE H H 5 7.832 7.832 8.352 -0.520 18364 10512 1 19 . 1 1 6 6 GLN N N 6 122.092 122.092 125.124 -3.032 18364 10513 1 19 . 1 1 6 6 GLN HA H 6 4.417 4.417 4.773 -0.356 18364 10514 1 19 . 1 1 6 6 GLN CA C 6 53.128 53.128 55.890 -2.762 18364 10515 1 19 . 1 1 6 6 GLN CB C 6 27.477 27.477 30.902 -3.425 18364 10516 1 19 . 1 1 6 6 GLN H H 6 8.447 8.447 8.933 -0.486 18364 10517 1 19 . 1 1 7 7 THR N N 7 114.717 114.717 114.890 -0.173 18364 10518 1 19 . 1 1 7 7 THR HA H 7 5.035 5.035 4.599 0.436 18364 10519 1 19 . 1 1 7 7 THR CA C 7 57.906 57.906 61.214 -3.308 18364 10520 1 19 . 1 1 7 7 THR CB C 7 68.370 68.370 70.310 -1.940 18364 10521 1 19 . 1 1 7 7 THR H H 7 8.145 8.145 8.310 -0.165 18364 10522 1 19 . 1 1 8 8 GLY N N 8 111.628 111.628 109.735 1.893 18364 10523 1 19 . 1 1 8 8 GLY CA C 8 43.774 43.774 45.989 -2.215 18364 10524 1 19 . 1 1 8 8 GLY H H 8 9.234 9.234 8.203 1.031 18364 10525 1 19 . 1 1 9 9 ILE N N 9 119.585 119.585 121.469 -1.884 18364 10526 1 19 . 1 1 9 9 ILE HA H 9 3.934 3.934 4.499 -0.565 18364 10527 1 19 . 1 1 9 9 ILE CA C 9 58.907 58.907 61.001 -2.094 18364 10528 1 19 . 1 1 9 9 ILE CB C 9 35.738 35.738 40.598 -4.860 18364 10529 1 19 . 1 1 9 9 ILE H H 9 8.603 8.603 8.774 -0.171 18364 10530 1 19 . 1 1 10 10 HIS N N 10 133.616 133.616 127.079 6.537 18364 10531 1 19 . 1 1 10 10 HIS HA H 10 5.185 5.185 4.882 0.303 18364 10532 1 19 . 1 1 10 10 HIS CA C 10 53.587 53.587 56.187 -2.599 18364 10533 1 19 . 1 1 10 10 HIS CB C 10 30.817 30.817 31.009 -0.192 18364 10534 1 19 . 1 1 10 10 HIS H H 10 8.599 8.599 8.360 0.239 18364 10535 1 19 . 1 1 11 11 LYS N N 11 122.949 122.949 121.235 1.714 18364 10536 1 19 . 1 1 11 11 LYS HA H 11 5.236 5.236 5.385 -0.149 18364 10537 1 19 . 1 1 11 11 LYS CA C 11 52.748 52.748 55.018 -2.270 18364 10538 1 19 . 1 1 11 11 LYS CB C 11 35.137 35.137 36.262 -1.125 18364 10539 1 19 . 1 1 11 11 LYS H H 11 8.775 8.775 8.522 0.253 18364 10540 1 19 . 1 1 12 12 ILE N N 12 125.260 125.260 122.007 3.253 18364 10541 1 19 . 1 1 12 12 ILE HA H 12 5.273 5.273 5.187 0.086 18364 10542 1 19 . 1 1 12 12 ILE CA C 12 55.780 55.780 59.161 -3.381 18364 10543 1 19 . 1 1 12 12 ILE CB C 12 38.767 38.767 42.960 -4.193 18364 10544 1 19 . 1 1 12 12 ILE H H 12 8.578 8.578 9.088 -0.510 18364 10545 1 19 . 1 1 13 13 VAL N N 13 126.515 126.515 124.426 2.089 18364 10546 1 19 . 1 1 13 13 VAL HA H 13 4.795 4.795 4.779 0.016 18364 10547 1 19 . 1 1 13 13 VAL CA C 13 58.115 58.115 61.142 -3.026 18364 10548 1 19 . 1 1 13 13 VAL CB C 13 32.948 32.948 35.737 -2.789 18364 10549 1 19 . 1 1 13 13 VAL H H 13 9.052 9.052 9.054 -0.002 18364 10550 1 19 . 1 1 14 14 ILE N N 14 125.803 125.803 125.154 0.649 18364 10551 1 19 . 1 1 14 14 ILE HA H 14 5.008 5.008 5.041 -0.033 18364 10552 1 19 . 1 1 14 14 ILE CA C 14 57.539 57.539 59.833 -2.294 18364 10553 1 19 . 1 1 14 14 ILE CB C 14 38.656 38.656 41.928 -3.272 18364 10554 1 19 . 1 1 14 14 ILE H H 14 8.974 8.974 8.688 0.286 18364 10555 1 19 . 1 1 15 15 GLN N N 15 125.773 125.773 122.060 3.713 18364 10556 1 19 . 1 1 15 15 GLN HA H 15 5.433 5.433 5.171 0.262 18364 10557 1 19 . 1 1 15 15 GLN CA C 15 51.002 51.002 54.518 -3.516 18364 10558 1 19 . 1 1 15 15 GLN CB C 15 29.637 29.637 33.432 -3.795 18364 10559 1 19 . 1 1 15 15 GLN H H 15 9.244 9.244 8.861 0.383 18364 10560 1 19 . 1 1 16 16 GLN N N 16 119.832 119.832 117.678 2.154 18364 10561 1 19 . 1 1 16 16 GLN HA H 16 5.741 5.741 5.213 0.528 18364 10562 1 19 . 1 1 16 16 GLN CA C 16 50.572 50.572 54.231 -3.659 18364 10563 1 19 . 1 1 16 16 GLN CB C 16 30.039 30.039 33.032 -2.993 18364 10564 1 19 . 1 1 16 16 GLN H H 16 8.964 8.964 8.319 0.645 18364 10565 1 19 . 1 1 17 17 SER N N 17 115.201 115.201 114.499 0.702 18364 10566 1 19 . 1 1 17 17 SER HA H 17 4.526 4.526 4.798 -0.272 18364 10567 1 19 . 1 1 17 17 SER CA C 17 54.831 54.831 58.139 -3.308 18364 10568 1 19 . 1 1 17 17 SER CB C 17 62.930 62.930 65.431 -2.501 18364 10569 1 19 . 1 1 17 17 SER H H 17 8.770 8.770 8.456 0.314 18364 10570 1 19 . 1 1 18 18 GLY N N 18 109.321 109.321 112.141 -2.820 18364 10571 1 19 . 1 1 18 18 GLY CA C 18 41.737 41.737 45.162 -3.425 18364 10572 1 19 . 1 1 18 18 GLY H H 18 8.798 8.798 8.151 0.647 18364 10573 1 19 . 1 1 19 19 ASP N N 19 128.121 128.121 124.907 3.214 18364 10574 1 19 . 1 1 19 19 ASP HA H 19 5.071 5.071 4.864 0.207 18364 10575 1 19 . 1 1 19 19 ASP CA C 19 51.251 51.251 52.933 -1.682 18364 10576 1 19 . 1 1 19 19 ASP CB C 19 37.872 37.872 40.604 -2.732 18364 10577 1 19 . 1 1 19 19 ASP H H 19 9.708 9.708 8.444 1.264 18364 10578 1 19 . 1 1 20 20 THR N N 20 111.610 111.610 113.759 -2.149 18364 10579 1 19 . 1 1 20 20 THR HA H 20 3.615 3.615 2.985 0.630 18364 10580 1 19 . 1 1 20 20 THR CA C 20 63.331 63.331 62.233 1.098 18364 10581 1 19 . 1 1 20 20 THR CB C 20 64.873 64.873 67.466 -2.593 18364 10582 1 19 . 1 1 20 20 THR H H 20 8.136 8.136 7.826 0.310 18364 10583 1 19 . 1 1 21 21 ASP N N 21 118.304 118.304 121.227 -2.923 18364 10584 1 19 . 1 1 21 21 ASP HA H 21 4.639 4.639 4.984 -0.345 18364 10585 1 19 . 1 1 21 21 ASP CA C 21 52.945 52.945 55.079 -2.134 18364 10586 1 19 . 1 1 21 21 ASP CB C 21 37.785 37.785 43.239 -5.454 18364 10587 1 19 . 1 1 21 21 ASP H H 21 8.566 8.566 8.402 0.164 18364 10588 1 19 . 1 1 22 22 SER N N 22 114.253 114.253 116.578 -2.325 18364 10589 1 19 . 1 1 22 22 SER HA H 22 4.384 4.384 4.753 -0.369 18364 10590 1 19 . 1 1 22 22 SER CA C 22 57.170 57.170 58.500 -1.330 18364 10591 1 19 . 1 1 22 22 SER CB C 22 61.441 61.441 63.914 -2.474 18364 10592 1 19 . 1 1 22 22 SER H H 22 8.076 8.076 7.820 0.256 18364 10593 1 19 . 1 1 23 23 PHE N N 23 119.853 119.853 117.754 2.099 18364 10594 1 19 . 1 1 23 23 PHE HA H 23 5.010 5.010 5.534 -0.524 18364 10595 1 19 . 1 1 23 23 PHE CA C 23 53.272 53.272 54.421 -1.149 18364 10596 1 19 . 1 1 23 23 PHE CB C 23 42.021 42.021 41.909 0.112 18364 10597 1 19 . 1 1 23 23 PHE H H 23 7.611 7.611 7.931 -0.320 18364 10598 1 19 . 1 1 24 24 GLU N N 24 119.255 119.255 121.724 -2.469 18364 10599 1 19 . 1 1 24 24 GLU HA H 24 4.571 4.571 4.411 0.160 18364 10600 1 19 . 1 1 24 24 GLU CA C 24 52.642 52.642 55.493 -2.851 18364 10601 1 19 . 1 1 24 24 GLU CB C 24 28.881 28.881 32.967 -4.085 18364 10602 1 19 . 1 1 24 24 GLU H H 24 8.958 8.958 9.041 -0.083 18364 10603 1 19 . 1 1 25 25 VAL N N 25 130.637 130.637 127.169 3.468 18364 10604 1 19 . 1 1 25 25 VAL HA H 25 4.859 4.859 4.713 0.146 18364 10605 1 19 . 1 1 25 25 VAL CA C 25 58.548 58.548 60.325 -1.777 18364 10606 1 19 . 1 1 25 25 VAL CB C 25 30.439 30.439 33.446 -3.007 18364 10607 1 19 . 1 1 25 25 VAL H H 25 9.678 9.678 8.302 1.376 18364 10608 1 19 . 1 1 26 26 SER N N 26 122.555 122.555 123.307 -0.752 18364 10609 1 19 . 1 1 26 26 SER HA H 26 5.289 5.289 4.891 0.398 18364 10610 1 19 . 1 1 26 26 SER CA C 26 54.088 54.088 57.164 -3.076 18364 10611 1 19 . 1 1 26 26 SER CB C 26 62.476 62.476 63.321 -0.845 18364 10612 1 19 . 1 1 26 26 SER H H 26 8.883 8.883 8.541 0.342 18364 10613 1 19 . 1 1 27 27 VAL N N 27 113.682 113.682 119.595 -5.913 18364 10614 1 19 . 1 1 27 27 VAL HA H 27 5.269 5.269 4.707 0.562 18364 10615 1 19 . 1 1 27 27 VAL CA C 27 56.005 56.005 59.573 -3.568 18364 10616 1 19 . 1 1 27 27 VAL CB C 27 34.158 34.158 34.220 -0.062 18364 10617 1 19 . 1 1 27 27 VAL H H 27 8.493 8.493 8.567 -0.074 18364 10618 1 19 . 1 1 28 28 SER N N 28 116.852 116.852 120.374 -3.522 18364 10619 1 19 . 1 1 28 28 SER HA H 28 5.410 5.410 4.566 0.844 18364 10620 1 19 . 1 1 28 28 SER CA C 28 54.633 54.633 60.051 -5.418 18364 10621 1 19 . 1 1 28 28 SER CB C 28 62.095 62.095 63.959 -1.863 18364 10622 1 19 . 1 1 28 28 SER H H 28 8.709 8.709 8.619 0.090 18364 10623 1 19 . 1 1 29 29 ILE N N 29 128.765 128.765 122.357 6.408 18364 10624 1 19 . 1 1 29 29 ILE HA H 29 5.224 5.224 4.698 0.526 18364 10625 1 19 . 1 1 29 29 ILE CA C 29 57.247 57.247 60.205 -2.958 18364 10626 1 19 . 1 1 29 29 ILE CB C 29 39.144 39.144 40.424 -1.280 18364 10627 1 19 . 1 1 29 29 ILE H H 29 9.631 9.631 8.703 0.928 18364 10628 1 19 . 1 1 30 30 GLY N N 30 112.478 112.478 112.988 -0.510 18364 10629 1 19 . 1 1 30 30 GLY CA C 30 42.140 42.140 44.260 -2.120 18364 10630 1 19 . 1 1 30 30 GLY H H 30 8.095 8.095 7.700 0.395 18364 10631 1 19 . 1 1 31 31 GLY N N 31 108.502 108.502 104.586 3.916 18364 10632 1 19 . 1 1 31 31 GLY CA C 31 43.201 43.201 44.708 -1.507 18364 10633 1 19 . 1 1 31 31 GLY H H 31 9.755 9.755 7.995 1.760 18364 10634 1 19 . 1 1 32 32 ALA N N 32 122.020 122.020 119.811 2.209 18364 10635 1 19 . 1 1 32 32 ALA HA H 32 4.967 4.967 5.277 -0.310 18364 10636 1 19 . 1 1 32 32 ALA CA C 32 48.540 48.540 49.817 -1.277 18364 10637 1 19 . 1 1 32 32 ALA CB C 32 21.078 21.078 22.809 -1.731 18364 10638 1 19 . 1 1 32 32 ALA H H 32 7.338 7.338 7.121 0.217 18364 10639 1 19 . 1 1 33 33 ASP N N 33 121.217 121.217 119.400 1.817 18364 10640 1 19 . 1 1 33 33 ASP HA H 33 3.680 3.680 4.895 -1.215 18364 10641 1 19 . 1 1 33 33 ASP CA C 33 49.520 49.520 52.467 -2.947 18364 10642 1 19 . 1 1 33 33 ASP CB C 33 40.840 40.840 43.680 -2.840 18364 10643 1 19 . 1 1 33 33 ASP H H 33 8.945 8.945 8.204 0.741 18364 10644 1 19 . 1 1 34 34 LYS N N 34 117.693 117.693 119.208 -1.515 18364 10645 1 19 . 1 1 34 34 LYS HA H 34 4.017 4.017 4.291 -0.274 18364 10646 1 19 . 1 1 34 34 LYS CA C 34 56.700 56.700 58.227 -1.527 18364 10647 1 19 . 1 1 34 34 LYS CB C 34 29.772 29.772 32.572 -2.800 18364 10648 1 19 . 1 1 34 34 LYS H H 34 8.200 8.200 8.510 -0.310 18364 10649 1 19 . 1 1 35 35 GLY N N 35 106.697 106.697 105.812 0.885 18364 10650 1 19 . 1 1 35 35 GLY CA C 35 42.719 42.719 45.174 -2.455 18364 10651 1 19 . 1 1 35 35 GLY H H 35 8.653 8.653 8.402 0.251 18364 10652 1 19 . 1 1 36 36 GLY N N 36 110.824 110.824 108.224 2.600 18364 10653 1 19 . 1 1 36 36 GLY CA C 36 41.099 41.099 45.275 -4.176 18364 10654 1 19 . 1 1 36 36 GLY H H 36 7.601 7.601 8.747 -1.146 18364 10655 1 19 . 1 1 37 37 PRO HA H 37 4.571 4.571 4.464 0.107 18364 10656 1 19 . 1 1 37 37 PRO CA C 37 60.012 60.012 62.447 -2.435 18364 10657 1 19 . 1 1 37 37 PRO CB C 37 29.470 29.470 32.061 -2.591 18364 10658 1 19 . 1 1 38 38 ALA N N 38 127.841 127.841 127.809 0.032 18364 10659 1 19 . 1 1 38 38 ALA HA H 38 4.127 4.127 4.409 -0.282 18364 10660 1 19 . 1 1 38 38 ALA CA C 38 48.117 48.117 51.037 -2.920 18364 10661 1 19 . 1 1 38 38 ALA CB C 38 16.655 16.655 20.240 -3.585 18364 10662 1 19 . 1 1 38 38 ALA H H 38 7.486 7.486 7.948 -0.462 18364 10663 1 19 . 1 1 39 39 LYS N N 39 121.148 121.148 123.314 -2.166 18364 10664 1 19 . 1 1 39 39 LYS HA H 39 4.115 4.115 4.710 -0.595 18364 10665 1 19 . 1 1 39 39 LYS CA C 39 55.674 55.674 56.000 -0.326 18364 10666 1 19 . 1 1 39 39 LYS CB C 39 31.223 31.223 33.122 -1.899 18364 10667 1 19 . 1 1 39 39 LYS H H 39 8.042 8.042 8.504 -0.462 18364 10668 1 19 . 1 1 40 40 LEU N N 40 118.817 118.817 123.068 -4.251 18364 10669 1 19 . 1 1 40 40 LEU HA H 40 5.122 5.122 4.826 0.296 18364 10670 1 19 . 1 1 40 40 LEU CA C 40 50.156 50.156 53.361 -3.204 18364 10671 1 19 . 1 1 40 40 LEU CB C 40 42.172 42.172 42.981 -0.809 18364 10672 1 19 . 1 1 40 40 LEU H H 40 7.901 7.901 8.765 -0.864 18364 10673 1 19 . 1 1 41 41 TYR N N 41 117.843 117.843 119.366 -1.523 18364 10674 1 19 . 1 1 41 41 TYR HA H 41 5.303 5.303 5.115 0.188 18364 10675 1 19 . 1 1 41 41 TYR CA C 41 53.394 53.394 56.790 -3.396 18364 10676 1 19 . 1 1 41 41 TYR CB C 41 39.419 39.419 42.284 -2.865 18364 10677 1 19 . 1 1 41 41 TYR H H 41 9.109 9.109 9.010 0.099 18364 10678 1 19 . 1 1 42 42 ASN N N 42 117.689 117.689 119.164 -1.475 18364 10679 1 19 . 1 1 42 42 ASN HA H 42 4.984 4.984 4.980 0.004 18364 10680 1 19 . 1 1 42 42 ASN CA C 42 48.001 48.001 51.526 -3.525 18364 10681 1 19 . 1 1 42 42 ASN CB C 42 36.514 36.514 39.702 -3.188 18364 10682 1 19 . 1 1 42 42 ASN H H 42 8.239 8.239 8.985 -0.746 18364 10683 1 19 . 1 1 43 43 ASP N N 43 116.760 116.760 118.346 -1.586 18364 10684 1 19 . 1 1 43 43 ASP HA H 43 4.170 4.170 4.449 -0.279 18364 10685 1 19 . 1 1 43 43 ASP CA C 43 53.123 53.123 55.969 -2.846 18364 10686 1 19 . 1 1 43 43 ASP CB C 43 37.355 37.355 39.809 -2.454 18364 10687 1 19 . 1 1 43 43 ASP H H 43 8.650 8.650 8.759 -0.109 18364 10688 1 19 . 1 1 44 44 LYS N N 44 118.108 118.108 119.995 -1.887 18364 10689 1 19 . 1 1 44 44 LYS HA H 44 4.359 4.359 4.208 0.151 18364 10690 1 19 . 1 1 44 44 LYS CA C 44 52.676 52.676 56.830 -4.154 18364 10691 1 19 . 1 1 44 44 LYS CB C 44 30.170 30.170 32.964 -2.794 18364 10692 1 19 . 1 1 44 44 LYS H H 44 7.505 7.505 7.703 -0.198 18364 10693 1 19 . 1 1 45 45 GLY N N 45 108.163 108.163 106.773 1.390 18364 10694 1 19 . 1 1 45 45 GLY CA C 45 42.988 42.988 44.911 -1.923 18364 10695 1 19 . 1 1 45 45 GLY H H 45 8.117 8.117 8.259 -0.142 18364 10696 1 19 . 1 1 46 46 GLU N N 46 120.173 120.173 119.200 0.973 18364 10697 1 19 . 1 1 46 46 GLU HA H 46 4.345 4.345 4.740 -0.395 18364 10698 1 19 . 1 1 46 46 GLU CA C 46 52.409 52.409 55.035 -2.626 18364 10699 1 19 . 1 1 46 46 GLU CB C 46 27.408 27.408 31.858 -4.450 18364 10700 1 19 . 1 1 46 46 GLU H H 46 7.884 7.884 7.886 -0.002 18364 10701 1 19 . 1 1 47 47 TYR N N 47 123.803 123.803 119.040 4.763 18364 10702 1 19 . 1 1 47 47 TYR HA H 47 4.351 4.351 4.105 0.246 18364 10703 1 19 . 1 1 47 47 TYR CA C 47 54.317 54.317 57.550 -3.233 18364 10704 1 19 . 1 1 47 47 TYR CB C 47 35.858 35.858 39.149 -3.291 18364 10705 1 19 . 1 1 47 47 TYR H H 47 8.710 8.710 8.491 0.219 18364 10706 1 19 . 1 1 48 48 ILE N N 48 123.458 123.458 117.115 6.343 18364 10707 1 19 . 1 1 48 48 ILE HA H 48 4.173 4.173 4.381 -0.208 18364 10708 1 19 . 1 1 48 48 ILE CA C 48 58.314 58.314 60.760 -2.446 18364 10709 1 19 . 1 1 48 48 ILE CB C 48 36.129 36.129 39.373 -3.244 18364 10710 1 19 . 1 1 48 48 ILE H H 48 8.416 8.416 8.603 -0.187 18364 10711 1 19 . 1 1 49 49 GLY N N 49 107.257 107.257 109.771 -2.514 18364 10712 1 19 . 1 1 49 49 GLY CA C 49 41.367 41.367 45.771 -4.404 18364 10713 1 19 . 1 1 49 49 GLY H H 49 5.472 5.472 7.694 -2.222 18364 10714 1 19 . 1 1 50 50 ASP N N 50 116.887 116.887 117.503 -0.616 18364 10715 1 19 . 1 1 50 50 ASP HA H 50 5.043 5.043 5.187 -0.144 18364 10716 1 19 . 1 1 50 50 ASP CA C 50 50.588 50.588 53.311 -2.723 18364 10717 1 19 . 1 1 50 50 ASP CB C 50 37.448 37.448 42.154 -4.706 18364 10718 1 19 . 1 1 50 50 ASP H H 50 8.234 8.234 8.558 -0.324 18364 10719 1 19 . 1 1 51 51 SER N N 51 112.664 112.664 114.631 -1.967 18364 10720 1 19 . 1 1 51 51 SER HA H 51 4.439 4.439 4.543 -0.104 18364 10721 1 19 . 1 1 51 51 SER CA C 51 55.489 55.489 58.093 -2.604 18364 10722 1 19 . 1 1 51 51 SER CB C 51 61.559 61.559 64.527 -2.968 18364 10723 1 19 . 1 1 51 51 SER H H 51 7.689 7.689 7.521 0.168 18364 10724 1 19 . 1 1 52 52 TYR N N 52 122.672 122.672 120.197 2.475 18364 10725 1 19 . 1 1 52 52 TYR HA H 52 4.732 4.732 4.809 -0.077 18364 10726 1 19 . 1 1 52 52 TYR CA C 52 55.168 55.168 57.809 -2.641 18364 10727 1 19 . 1 1 52 52 TYR CB C 52 38.599 38.599 38.871 -0.272 18364 10728 1 19 . 1 1 52 52 TYR H H 52 8.231 8.231 7.953 0.278 18364 10729 1 19 . 1 1 53 53 SER N N 53 123.803 123.803 116.817 6.986 18364 10730 1 19 . 1 1 53 53 SER HA H 53 5.429 5.429 5.249 0.180 18364 10731 1 19 . 1 1 53 53 SER CA C 53 53.508 53.508 57.866 -4.358 18364 10732 1 19 . 1 1 53 53 SER CB C 53 61.674 61.674 64.722 -3.048 18364 10733 1 19 . 1 1 53 53 SER H H 53 8.008 8.008 8.592 -0.584 18364 10734 1 19 . 1 1 54 54 ALA N N 54 125.516 125.516 128.411 -2.895 18364 10735 1 19 . 1 1 54 54 ALA HA H 54 4.289 4.289 4.689 -0.400 18364 10736 1 19 . 1 1 54 54 ALA CA C 54 49.097 49.097 50.879 -1.782 18364 10737 1 19 . 1 1 54 54 ALA CB C 54 20.259 20.259 20.938 -0.679 18364 10738 1 19 . 1 1 54 54 ALA H H 54 8.089 8.089 8.375 -0.286 18364 10739 1 19 . 1 1 55 55 GLN N N 55 118.838 118.838 121.173 -2.335 18364 10740 1 19 . 1 1 55 55 GLN HA H 55 4.975 4.975 4.911 0.064 18364 10741 1 19 . 1 1 55 55 GLN CA C 55 52.306 52.306 54.794 -2.488 18364 10742 1 19 . 1 1 55 55 GLN CB C 55 26.138 26.138 30.269 -4.131 18364 10743 1 19 . 1 1 55 55 GLN H H 55 8.100 8.100 8.618 -0.518 18364 10744 1 19 . 1 1 56 56 ILE N N 56 124.748 124.748 126.831 -2.083 18364 10745 1 19 . 1 1 56 56 ILE HA H 56 4.246 4.246 4.162 0.084 18364 10746 1 19 . 1 1 56 56 ILE CA C 56 57.529 57.529 60.172 -2.643 18364 10747 1 19 . 1 1 56 56 ILE CB C 56 34.915 34.915 35.336 -0.421 18364 10748 1 19 . 1 1 56 56 ILE H H 56 8.910 8.910 8.547 0.363 18364 10749 1 19 . 1 1 57 57 ARG N N 57 127.183 127.183 124.013 3.170 18364 10750 1 19 . 1 1 57 57 ARG HA H 57 4.777 4.777 4.688 0.089 18364 10751 1 19 . 1 1 57 57 ARG CA C 57 52.455 52.455 54.745 -2.290 18364 10752 1 19 . 1 1 57 57 ARG CB C 57 28.839 28.839 29.675 -0.836 18364 10753 1 19 . 1 1 57 57 ARG H H 57 8.979 8.979 7.922 1.057 18364 10754 1 19 . 1 1 58 58 THR N N 58 109.995 109.995 110.374 -0.379 18364 10755 1 19 . 1 1 58 58 THR HA H 58 4.529 4.529 4.549 -0.020 18364 10756 1 19 . 1 1 58 58 THR CA C 58 57.124 57.124 60.237 -3.114 18364 10757 1 19 . 1 1 58 58 THR CB C 58 68.143 68.143 71.635 -3.492 18364 10758 1 19 . 1 1 58 58 THR H H 58 7.150 7.150 7.562 -0.412 18364 10759 1 19 . 1 1 59 59 ALA N N 59 123.143 123.143 125.323 -2.180 18364 10760 1 19 . 1 1 59 59 ALA HA H 59 4.167 4.167 4.169 -0.002 18364 10761 1 19 . 1 1 59 59 ALA CA C 59 52.603 52.603 53.918 -1.315 18364 10762 1 19 . 1 1 59 59 ALA CB C 59 16.910 16.910 18.751 -1.841 18364 10763 1 19 . 1 1 59 59 ALA H H 59 8.531 8.531 8.469 0.062 18364 10764 1 19 . 1 1 60 60 THR N N 60 105.988 105.988 105.819 0.169 18364 10765 1 19 . 1 1 60 60 THR HA H 60 5.471 5.471 4.987 0.484 18364 10766 1 19 . 1 1 60 60 THR CA C 60 56.904 56.904 59.821 -2.917 18364 10767 1 19 . 1 1 60 60 THR CB C 60 69.111 69.111 71.162 -2.051 18364 10768 1 19 . 1 1 60 60 THR H H 60 7.521 7.521 7.423 0.098 18364 10769 1 19 . 1 1 61 61 MET N N 61 124.706 124.706 125.658 -0.952 18364 10770 1 19 . 1 1 61 61 MET HA H 61 4.641 4.641 4.965 -0.324 18364 10771 1 19 . 1 1 61 61 MET CA C 61 52.883 52.883 54.020 -1.137 18364 10772 1 19 . 1 1 61 61 MET CB C 61 32.345 32.345 36.589 -4.244 18364 10773 1 19 . 1 1 61 61 MET H H 61 8.758 8.758 9.316 -0.558 18364 10774 1 19 . 1 1 62 62 SER N N 62 117.004 117.004 116.935 0.069 18364 10775 1 19 . 1 1 62 62 SER HA H 62 5.551 5.551 5.195 0.356 18364 10776 1 19 . 1 1 62 62 SER CA C 62 54.255 54.255 57.494 -3.239 18364 10777 1 19 . 1 1 62 62 SER CB C 62 64.130 64.130 65.880 -1.750 18364 10778 1 19 . 1 1 62 62 SER H H 62 8.164 8.164 8.359 -0.195 18364 10779 1 19 . 1 1 63 63 CYS N N 63 120.270 120.270 120.241 0.029 18364 10780 1 19 . 1 1 63 63 CYS HA H 63 5.075 5.075 5.122 -0.047 18364 10781 1 19 . 1 1 63 63 CYS CA C 63 54.676 54.676 57.423 -2.747 18364 10782 1 19 . 1 1 63 63 CYS CB C 63 28.679 28.679 32.047 -3.368 18364 10783 1 19 . 1 1 63 63 CYS H H 63 8.537 8.537 8.590 -0.053 18364 10784 1 19 . 1 1 64 64 CYS N N 64 120.868 120.868 119.147 1.721 18364 10785 1 19 . 1 1 64 64 CYS HA H 64 5.918 5.918 5.397 0.521 18364 10786 1 19 . 1 1 64 64 CYS CA C 64 53.204 53.204 56.463 -3.259 18364 10787 1 19 . 1 1 64 64 CYS CB C 64 30.216 30.216 31.750 -1.534 18364 10788 1 19 . 1 1 64 64 CYS H H 64 9.307 9.307 8.799 0.508 18364 10789 1 19 . 1 1 65 65 THR N N 65 109.830 109.830 111.220 -1.390 18364 10790 1 19 . 1 1 65 65 THR HA H 65 5.426 5.426 4.849 0.577 18364 10791 1 19 . 1 1 65 65 THR CA C 65 58.465 58.465 60.202 -1.737 18364 10792 1 19 . 1 1 65 65 THR CB C 65 69.665 69.665 71.297 -1.632 18364 10793 1 19 . 1 1 65 65 THR H H 65 8.447 8.447 8.000 0.447 18364 10794 1 19 . 1 1 66 66 ASN N N 66 114.459 114.459 117.787 -3.328 18364 10795 1 19 . 1 1 66 66 ASN HA H 66 4.656 4.656 4.538 0.118 18364 10796 1 19 . 1 1 66 66 ASN CA C 66 49.879 49.879 51.990 -2.111 18364 10797 1 19 . 1 1 66 66 ASN CB C 66 36.267 36.267 38.904 -2.637 18364 10798 1 19 . 1 1 66 66 ASN H H 66 9.300 9.300 8.718 0.582 18364 10799 1 19 . 1 1 67 67 GLY N N 67 103.647 103.647 106.927 -3.280 18364 10800 1 19 . 1 1 67 67 GLY CA C 67 43.796 43.796 45.050 -1.254 18364 10801 1 19 . 1 1 67 67 GLY H H 67 8.237 8.237 8.610 -0.373 18364 10802 1 19 . 1 1 69 69 ALA N N 69 121.911 121.911 123.585 -1.674 18364 10803 1 19 . 1 1 69 69 ALA HA H 69 4.244 4.244 4.880 -0.636 18364 10804 1 19 . 1 1 69 69 ALA CA C 69 49.758 49.758 51.669 -1.911 18364 10805 1 19 . 1 1 69 69 ALA CB C 69 17.376 17.376 22.238 -4.862 18364 10806 1 19 . 1 1 69 69 ALA H H 69 7.677 7.677 7.763 -0.086 18364 10807 1 19 . 1 1 70 70 PHE N N 70 114.118 114.118 117.987 -3.869 18364 10808 1 19 . 1 1 70 70 PHE HA H 70 4.965 4.965 4.917 0.048 18364 10809 1 19 . 1 1 70 70 PHE CA C 70 53.129 53.129 57.835 -4.706 18364 10810 1 19 . 1 1 70 70 PHE CB C 70 37.917 37.917 42.963 -5.046 18364 10811 1 19 . 1 1 70 70 PHE H H 70 8.549 8.549 8.582 -0.033 18364 10812 1 19 . 1 1 71 71 PHE N N 71 110.252 110.252 113.183 -2.931 18364 10813 1 19 . 1 1 71 71 PHE HA H 71 4.247 4.247 4.514 -0.267 18364 10814 1 19 . 1 1 71 71 PHE CA C 71 54.475 54.475 56.383 -1.908 18364 10815 1 19 . 1 1 71 71 PHE CB C 71 38.123 38.123 40.667 -2.545 18364 10816 1 19 . 1 1 71 71 PHE H H 71 6.617 6.617 7.075 -0.458 18364 10817 1 19 . 1 1 72 72 MET N N 72 118.637 118.637 118.506 0.131 18364 10818 1 19 . 1 1 72 72 MET HA H 72 4.800 4.800 5.016 -0.216 18364 10819 1 19 . 1 1 72 72 MET CA C 72 53.108 53.108 54.542 -1.434 18364 10820 1 19 . 1 1 72 72 MET CB C 72 35.826 35.826 36.772 -0.946 18364 10821 1 19 . 1 1 72 72 MET H H 72 8.162 8.162 8.345 -0.183 18364 10822 1 19 . 1 1 73 73 THR N N 73 117.278 117.278 116.697 0.581 18364 10823 1 19 . 1 1 73 73 THR HA H 73 5.018 5.018 5.310 -0.292 18364 10824 1 19 . 1 1 73 73 THR CA C 73 58.316 58.316 61.450 -3.135 18364 10825 1 19 . 1 1 73 73 THR CB C 73 69.118 69.118 71.702 -2.584 18364 10826 1 19 . 1 1 73 73 THR H H 73 9.220 9.220 8.711 0.509 18364 10827 1 19 . 1 1 74 74 CYS N N 74 124.101 124.101 125.626 -1.525 18364 10828 1 19 . 1 1 74 74 CYS HA H 74 5.076 5.076 5.277 -0.201 18364 10829 1 19 . 1 1 74 74 CYS CA C 74 54.219 54.219 56.776 -2.557 18364 10830 1 19 . 1 1 74 74 CYS CB C 74 27.012 27.012 27.534 -0.522 18364 10831 1 19 . 1 1 74 74 CYS H H 74 8.958 8.958 8.341 0.617 18364 10832 1 19 . 1 1 75 75 ALA N N 75 132.901 132.901 123.906 8.995 18364 10833 1 19 . 1 1 75 75 ALA HA H 75 4.975 4.975 4.700 0.275 18364 10834 1 19 . 1 1 75 75 ALA CA C 75 47.826 47.826 52.323 -4.497 18364 10835 1 19 . 1 1 75 75 ALA CB C 75 18.111 18.111 19.994 -1.883 18364 10836 1 19 . 1 1 75 75 ALA H H 75 8.834 8.834 7.619 1.215 18364 10837 1 19 . 1 1 76 76 GLY N N 76 110.691 110.691 109.405 1.286 18364 10838 1 19 . 1 1 76 76 GLY CA C 76 41.784 41.784 44.912 -3.128 18364 10839 1 19 . 1 1 76 76 GLY H H 76 8.265 8.265 7.892 0.373 18364 10840 1 19 . 1 1 77 77 SER N N 77 115.145 115.145 114.021 1.124 18364 10841 1 19 . 1 1 77 77 SER HA H 77 4.980 4.980 4.582 0.398 18364 10842 1 19 . 1 1 77 77 SER CA C 77 54.022 54.022 57.139 -3.117 18364 10843 1 19 . 1 1 77 77 SER CB C 77 62.987 62.987 66.715 -3.728 18364 10844 1 19 . 1 1 77 77 SER H H 77 8.723 8.723 8.143 0.580 18364 10845 1 19 . 1 1 78 78 VAL N N 78 124.775 124.775 118.793 5.982 18364 10846 1 19 . 1 1 78 78 VAL HA H 78 4.634 4.634 5.204 -0.570 18364 10847 1 19 . 1 1 78 78 VAL CA C 78 58.437 58.437 59.958 -1.521 18364 10848 1 19 . 1 1 78 78 VAL CB C 78 32.177 32.177 36.128 -3.951 18364 10849 1 19 . 1 1 78 78 VAL H H 78 8.963 8.963 8.585 0.378 18364 10850 1 19 . 1 1 79 79 SER N N 79 118.951 118.951 120.813 -1.862 18364 10851 1 19 . 1 1 79 79 SER HA H 79 5.619 5.619 5.184 0.435 18364 10852 1 19 . 1 1 79 79 SER CA C 79 53.011 53.011 56.826 -3.815 18364 10853 1 19 . 1 1 79 79 SER CB C 79 64.197 64.197 64.624 -0.427 18364 10854 1 19 . 1 1 79 79 SER H H 79 8.661 8.661 8.982 -0.321 18364 10855 1 19 . 1 1 80 80 SER N N 80 114.750 114.750 116.824 -2.074 18364 10856 1 19 . 1 1 80 80 SER HA H 80 4.439 4.439 4.915 -0.476 18364 10857 1 19 . 1 1 80 80 SER CA C 80 56.198 56.198 57.931 -1.733 18364 10858 1 19 . 1 1 80 80 SER CB C 80 63.490 63.490 65.721 -2.231 18364 10859 1 19 . 1 1 80 80 SER H H 80 8.563 8.563 9.011 -0.448 18364 10860 1 19 . 1 1 81 81 ILE N N 81 120.003 120.003 116.816 3.187 18364 10861 1 19 . 1 1 81 81 ILE HA H 81 4.576 4.576 4.603 -0.027 18364 10862 1 19 . 1 1 81 81 ILE CA C 81 57.951 57.951 60.018 -2.067 18364 10863 1 19 . 1 1 81 81 ILE CB C 81 36.011 36.011 37.265 -1.254 18364 10864 1 19 . 1 1 81 81 ILE H H 81 8.366 8.366 8.869 -0.503 18364 10865 1 19 . 1 1 82 82 SER N N 82 119.139 119.139 117.988 1.151 18364 10866 1 19 . 1 1 82 82 SER HA H 82 4.158 4.158 4.569 -0.411 18364 10867 1 19 . 1 1 82 82 SER CA C 82 56.910 56.910 57.630 -0.721 18364 10868 1 19 . 1 1 82 82 SER CB C 82 62.055 62.055 64.492 -2.437 18364 10869 1 19 . 1 1 82 82 SER H H 82 8.204 8.204 7.822 0.383 18364 10870 1 19 . 1 1 83 83 GLU N N 83 118.350 118.350 120.194 -1.844 18364 10871 1 19 . 1 1 83 83 GLU HA H 83 4.133 4.133 4.301 -0.168 18364 10872 1 19 . 1 1 83 83 GLU CA C 83 53.267 53.267 56.281 -3.014 18364 10873 1 19 . 1 1 83 83 GLU CB C 83 27.763 27.763 30.116 -2.353 18364 10874 1 19 . 1 1 83 83 GLU H H 83 8.381 8.381 8.500 -0.119 18364 10875 1 19 . 1 1 84 84 ALA N N 84 121.665 121.665 121.695 -0.030 18364 10876 1 19 . 1 1 84 84 ALA HA H 84 3.542 3.542 4.111 -0.569 18364 10877 1 19 . 1 1 84 84 ALA CA C 84 50.621 50.621 53.803 -3.182 18364 10878 1 19 . 1 1 84 84 ALA CB C 84 16.540 16.540 19.217 -2.677 18364 10879 1 19 . 1 1 84 84 ALA H H 84 8.482 8.482 8.429 0.053 18364 10880 1 19 . 1 1 85 85 GLY N N 85 108.356 108.356 106.882 1.474 18364 10881 1 19 . 1 1 85 85 GLY CA C 85 42.955 42.955 45.346 -2.391 18364 10882 1 19 . 1 1 85 85 GLY H H 85 8.078 8.078 8.592 -0.514 18364 10883 1 19 . 1 1 86 86 LYS N N 86 121.491 121.491 120.383 1.108 18364 10884 1 19 . 1 1 86 86 LYS HA H 86 4.638 4.638 4.653 -0.015 18364 10885 1 19 . 1 1 86 86 LYS CA C 86 51.073 51.073 54.531 -3.458 18364 10886 1 19 . 1 1 86 86 LYS CB C 86 29.750 29.750 34.264 -4.514 18364 10887 1 19 . 1 1 86 86 LYS H H 86 8.225 8.225 8.176 0.049 18364 10888 1 19 . 1 1 87 87 ARG N N 87 121.874 121.874 121.463 0.411 18364 10889 1 19 . 1 1 87 87 ARG HA H 87 5.673 5.673 5.439 0.234 18364 10890 1 19 . 1 1 87 87 ARG CA C 87 52.139 52.139 54.535 -2.396 18364 10891 1 19 . 1 1 87 87 ARG CB C 87 32.163 32.163 34.083 -1.920 18364 10892 1 19 . 1 1 87 87 ARG H H 87 9.979 9.979 8.545 1.434 18364 10893 1 19 . 1 1 88 88 LEU N N 88 125.264 125.264 122.230 3.034 18364 10894 1 19 . 1 1 88 88 LEU HA H 88 4.562 4.562 4.700 -0.138 18364 10895 1 19 . 1 1 88 88 LEU CA C 88 50.284 50.284 55.107 -4.823 18364 10896 1 19 . 1 1 88 88 LEU CB C 88 42.309 42.309 44.784 -2.475 18364 10897 1 19 . 1 1 88 88 LEU H H 88 8.756 8.756 8.632 0.124 18364 10898 1 19 . 1 1 89 89 HIS N N 89 125.453 125.453 126.065 -0.612 18364 10899 1 19 . 1 1 89 89 HIS HA H 89 5.188 5.188 5.238 -0.050 18364 10900 1 19 . 1 1 89 89 HIS CA C 89 51.389 51.389 54.992 -3.603 18364 10901 1 19 . 1 1 89 89 HIS CB C 89 27.731 27.731 32.917 -5.186 18364 10902 1 19 . 1 1 89 89 HIS H H 89 8.910 8.910 8.866 0.044 18364 10903 1 19 . 1 1 90 90 ILE N N 90 126.486 126.486 125.346 1.140 18364 10904 1 19 . 1 1 90 90 ILE HA H 90 5.020 5.020 4.806 0.214 18364 10905 1 19 . 1 1 90 90 ILE CA C 90 55.642 55.642 59.249 -3.607 18364 10906 1 19 . 1 1 90 90 ILE CB C 90 38.696 38.696 41.467 -2.771 18364 10907 1 19 . 1 1 90 90 ILE H H 90 8.689 8.689 8.584 0.105 18364 10908 1 19 . 1 1 91 91 THR N N 91 123.200 123.200 122.481 0.719 18364 10909 1 19 . 1 1 91 91 THR HA H 91 5.017 5.017 4.758 0.259 18364 10910 1 19 . 1 1 91 91 THR CA C 91 58.555 58.555 61.105 -2.550 18364 10911 1 19 . 1 1 91 91 THR CB C 91 68.702 68.702 70.366 -1.664 18364 10912 1 19 . 1 1 91 91 THR H H 91 8.636 8.636 8.816 -0.180 18364 10913 1 19 . 1 1 92 92 VAL N N 92 127.071 127.071 122.747 4.324 18364 10914 1 19 . 1 1 92 92 VAL HA H 92 5.018 5.018 4.936 0.082 18364 10915 1 19 . 1 1 92 92 VAL CA C 92 57.969 57.969 61.057 -3.088 18364 10916 1 19 . 1 1 92 92 VAL CB C 92 31.323 31.323 33.785 -2.462 18364 10917 1 19 . 1 1 92 92 VAL H H 92 9.162 9.162 8.889 0.273 18364 10918 1 19 . 1 1 93 93 ILE N N 93 127.095 127.095 125.354 1.741 18364 10919 1 19 . 1 1 93 93 ILE HA H 93 4.461 4.461 4.847 -0.386 18364 10920 1 19 . 1 1 93 93 ILE CA C 93 57.972 57.972 59.851 -1.879 18364 10921 1 19 . 1 1 93 93 ILE CB C 93 38.929 38.929 42.016 -3.087 18364 10922 1 19 . 1 1 93 93 ILE H H 93 9.313 9.313 9.030 0.283 18364 10923 1 19 . 1 1 94 94 GLY N N 94 111.893 111.893 112.530 -0.637 18364 10924 1 19 . 1 1 94 94 GLY CA C 94 41.781 41.781 43.600 -1.819 18364 10925 1 19 . 1 1 94 94 GLY H H 94 8.577 8.577 8.827 -0.250 18364 10926 1 19 . 1 1 95 95 TYR N N 95 123.099 123.099 122.917 0.182 18364 10927 1 19 . 1 1 95 95 TYR HA H 95 5.399 5.399 5.458 -0.059 18364 10928 1 19 . 1 1 95 95 TYR CA C 95 54.052 54.052 56.313 -2.261 18364 10929 1 19 . 1 1 95 95 TYR CB C 95 41.285 41.285 43.560 -2.275 18364 10930 1 19 . 1 1 95 95 TYR H H 95 9.640 9.640 9.237 0.403 18364 10931 1 19 . 1 1 96 96 ILE N N 96 116.705 116.705 121.124 -4.419 18364 10932 1 19 . 1 1 96 96 ILE HA H 96 4.208 4.208 4.181 0.027 18364 10933 1 19 . 1 1 96 96 ILE CA C 96 58.977 58.977 61.030 -2.053 18364 10934 1 19 . 1 1 96 96 ILE CB C 96 37.245 37.245 39.523 -2.278 18364 10935 1 19 . 1 1 96 96 ILE H H 96 8.270 8.270 9.034 -0.764 18364 10936 1 19 . 1 1 97 97 ASP N N 97 130.442 130.442 126.589 3.853 18364 10937 1 19 . 1 1 97 97 ASP HA H 97 4.165 4.165 4.269 -0.104 18364 10938 1 19 . 1 1 97 97 ASP CA C 97 53.736 53.736 57.523 -3.787 18364 10939 1 19 . 1 1 97 97 ASP CB C 97 36.870 36.870 39.928 -3.058 18364 10940 1 19 . 1 1 97 97 ASP H H 97 9.849 9.849 9.011 0.838 18364 10941 1 19 . 1 1 98 98 ASP N N 98 114.957 114.957 119.266 -4.309 18364 10942 1 19 . 1 1 98 98 ASP HA H 98 4.694 4.694 4.700 -0.006 18364 10943 1 19 . 1 1 98 98 ASP CB C 98 36.266 36.266 43.180 -6.914 18364 10944 1 19 . 1 1 98 98 ASP H H 98 8.355 8.355 8.248 0.107 18364 10945 1 19 . 1 1 99 99 LYS N N 99 121.680 121.680 120.314 1.366 18364 10946 1 19 . 1 1 99 99 LYS HA H 99 4.590 4.590 4.761 -0.171 18364 10947 1 19 . 1 1 99 99 LYS CA C 99 52.354 52.354 55.340 -2.986 18364 10948 1 19 . 1 1 99 99 LYS CB C 99 30.958 30.958 36.539 -5.581 18364 10949 1 19 . 1 1 99 99 LYS H H 99 8.049 8.049 8.056 -0.007 18364 10950 1 19 . 1 1 100 100 GLU N N 100 127.574 127.574 123.112 4.462 18364 10951 1 19 . 1 1 100 100 GLU HA H 100 3.804 3.804 4.224 -0.420 18364 10952 1 19 . 1 1 100 100 GLU CA C 100 54.562 54.562 57.016 -2.454 18364 10953 1 19 . 1 1 100 100 GLU CB C 100 26.808 26.808 29.995 -3.188 18364 10954 1 19 . 1 1 100 100 GLU H H 100 8.839 8.839 8.581 0.258 18364 10955 1 19 . 1 1 101 101 VAL N N 101 120.606 120.606 115.666 4.940 18364 10956 1 19 . 1 1 101 101 VAL HA H 101 4.534 4.534 4.442 0.092 18364 10957 1 19 . 1 1 101 101 VAL CA C 101 58.379 58.379 61.740 -3.361 18364 10958 1 19 . 1 1 101 101 VAL CB C 101 31.223 31.223 33.674 -2.451 18364 10959 1 19 . 1 1 101 101 VAL H H 101 8.997 8.997 8.526 0.471 18364 10960 1 19 . 1 1 102 102 ASN N N 102 118.568 118.568 119.532 -0.964 18364 10961 1 19 . 1 1 102 102 ASN HA H 102 4.782 4.782 4.919 -0.137 18364 10962 1 19 . 1 1 102 102 ASN CA C 102 50.154 50.154 52.987 -2.833 18364 10963 1 19 . 1 1 102 102 ASN CB C 102 38.848 38.848 41.456 -2.608 18364 10964 1 19 . 1 1 102 102 ASN H H 102 7.598 7.598 7.642 -0.044 18364 10965 1 19 . 1 1 103 103 ARG N N 103 120.366 120.366 120.860 -0.494 18364 10966 1 19 . 1 1 103 103 ARG HA H 103 5.051 5.051 5.289 -0.238 18364 10967 1 19 . 1 1 103 103 ARG CA C 103 52.900 52.900 55.168 -2.268 18364 10968 1 19 . 1 1 103 103 ARG CB C 103 31.710 31.710 32.799 -1.089 18364 10969 1 19 . 1 1 103 103 ARG H H 103 8.155 8.155 8.323 -0.168 18364 10970 1 19 . 1 1 104 104 LEU N N 104 128.859 128.859 116.538 12.321 18364 10971 1 19 . 1 1 104 104 LEU HA H 104 4.553 4.553 5.022 -0.469 18364 10972 1 19 . 1 1 104 104 LEU CA C 104 51.272 51.272 53.838 -2.566 18364 10973 1 19 . 1 1 104 104 LEU CB C 104 43.549 43.549 45.190 -1.641 18364 10974 1 19 . 1 1 104 104 LEU H H 104 9.271 9.271 8.660 0.611 18364 10975 1 19 . 1 1 105 105 GLU N N 105 125.663 125.663 118.847 6.816 18364 10976 1 19 . 1 1 105 105 GLU HA H 105 5.179 5.179 5.137 0.042 18364 10977 1 19 . 1 1 105 105 GLU CA C 105 51.966 51.966 55.014 -3.047 18364 10978 1 19 . 1 1 105 105 GLU CB C 105 29.358 29.358 32.846 -3.488 18364 10979 1 19 . 1 1 105 105 GLU H H 105 8.346 8.346 8.416 -0.070 18364 10980 1 19 . 1 1 106 106 LYS N N 106 123.659 123.659 120.089 3.570 18364 10981 1 19 . 1 1 106 106 LYS HA H 106 4.281 4.281 4.404 -0.123 18364 10982 1 19 . 1 1 106 106 LYS CA C 106 51.118 51.118 55.152 -4.034 18364 10983 1 19 . 1 1 106 106 LYS CB C 106 34.761 34.761 36.725 -1.964 18364 10984 1 19 . 1 1 106 106 LYS H H 106 8.526 8.526 8.473 0.053 18364 10985 1 19 . 1 1 107 107 GLU N N 107 121.917 121.917 119.663 2.254 18364 10986 1 19 . 1 1 107 107 GLU HA H 107 4.949 4.949 4.963 -0.014 18364 10987 1 19 . 1 1 107 107 GLU CA C 107 51.404 51.404 54.936 -3.532 18364 10988 1 19 . 1 1 107 107 GLU CB C 107 29.906 29.906 32.646 -2.740 18364 10989 1 19 . 1 1 107 107 GLU H H 107 7.773 7.773 7.922 -0.149 18364 10990 1 19 . 1 1 108 108 TYR N N 108 124.981 124.981 121.024 3.957 18364 10991 1 19 . 1 1 108 108 TYR HA H 108 4.720 4.720 4.788 -0.068 18364 10992 1 19 . 1 1 108 108 TYR CA C 108 54.188 54.188 57.037 -2.849 18364 10993 1 19 . 1 1 108 108 TYR CB C 108 39.101 39.101 42.321 -3.220 18364 10994 1 19 . 1 1 108 108 TYR H H 108 9.031 9.031 8.802 0.229 18364 10995 1 19 . 1 1 109 109 ILE N N 109 121.680 121.680 121.478 0.202 18364 10996 1 19 . 1 1 109 109 ILE HA H 109 5.471 5.471 5.002 0.469 18364 10997 1 19 . 1 1 109 109 ILE CA C 109 56.592 56.592 59.601 -3.009 18364 10998 1 19 . 1 1 109 109 ILE CB C 109 38.728 38.728 42.291 -3.563 18364 10999 1 19 . 1 1 109 109 ILE H H 109 8.475 8.475 8.421 0.054 18364 11000 1 19 . 1 1 110 110 THR N N 110 117.537 117.537 117.506 0.031 18364 11001 1 19 . 1 1 110 110 THR HA H 110 4.521 4.521 4.350 0.171 18364 11002 1 19 . 1 1 110 110 THR CA C 110 59.337 59.337 61.792 -2.455 18364 11003 1 19 . 1 1 110 110 THR CB C 110 67.143 67.143 70.114 -2.971 18364 11004 1 19 . 1 1 110 110 THR H H 110 9.180 9.180 8.743 0.437 18364 11005 1 19 . 1 1 111 111 ASP N N 111 122.428 122.428 126.579 -4.151 18364 11006 1 19 . 1 1 111 111 ASP HA H 111 4.721 4.721 4.742 -0.021 18364 11007 1 19 . 1 1 111 111 ASP CA C 111 50.135 50.135 54.070 -3.935 18364 11008 1 19 . 1 1 111 111 ASP CB C 111 39.613 39.613 41.363 -1.750 18364 11009 1 19 . 1 1 111 111 ASP H H 111 9.342 9.342 8.639 0.703 18364 11010 1 19 . 1 1 112 112 GLY N N 112 110.714 110.714 111.277 -0.563 18364 11011 1 19 . 1 1 112 112 GLY CA C 112 43.084 43.084 45.899 -2.815 18364 11012 1 19 . 1 1 112 112 GLY H H 112 8.333 8.333 8.814 -0.481 18364 11013 1 19 . 1 1 113 113 ASN N N 113 119.462 119.462 120.599 -1.137 18364 11014 1 19 . 1 1 113 113 ASN HA H 113 4.926 4.926 4.684 0.242 18364 11015 1 19 . 1 1 113 113 ASN CA C 113 49.373 49.373 53.743 -4.370 18364 11016 1 19 . 1 1 113 113 ASN CB C 113 37.377 37.377 39.016 -1.639 18364 11017 1 19 . 1 1 113 113 ASN H H 113 8.210 8.210 8.167 0.043 18364 11018 1 19 . 1 1 114 114 THR N N 114 117.962 117.962 116.612 1.350 18364 11019 1 19 . 1 1 114 114 THR HA H 114 4.136 4.136 4.179 -0.043 18364 11020 1 19 . 1 1 114 114 THR CA C 114 62.066 62.066 62.913 -0.847 18364 11021 1 19 . 1 1 114 114 THR CB C 114 66.489 66.489 69.234 -2.745 18364 11022 1 19 . 1 1 114 114 THR H H 114 8.436 8.436 8.416 0.020 18364 11023 1 19 . 1 1 115 115 LEU N N 115 132.998 132.998 129.690 3.308 18364 11024 1 19 . 1 1 115 115 LEU HA H 115 4.607 4.607 4.351 0.256 18364 11025 1 19 . 1 1 115 115 LEU CA C 115 52.335 52.335 55.026 -2.691 18364 11026 1 19 . 1 1 115 115 LEU CB C 115 41.546 41.546 41.318 0.228 18364 11027 1 19 . 1 1 115 115 LEU H H 115 8.789 8.789 8.156 0.633 18364 11028 1 19 . 1 1 116 116 ILE N N 116 126.586 126.586 124.486 2.100 18364 11029 1 19 . 1 1 116 116 ILE HA H 116 4.784 4.784 4.898 -0.114 18364 11030 1 19 . 1 1 116 116 ILE CA C 116 58.270 58.270 60.217 -1.947 18364 11031 1 19 . 1 1 116 116 ILE CB C 116 37.909 37.909 42.491 -4.582 18364 11032 1 19 . 1 1 116 116 ILE H H 116 8.637 8.637 8.253 0.384 18364 11033 1 19 . 1 1 117 117 GLU N N 117 127.084 127.084 124.309 2.775 18364 11034 1 19 . 1 1 117 117 GLU HA H 117 4.830 4.830 4.740 0.090 18364 11035 1 19 . 1 1 117 117 GLU CA C 117 51.847 51.847 54.593 -2.746 18364 11036 1 19 . 1 1 117 117 GLU CB C 117 32.299 32.299 34.455 -2.156 18364 11037 1 19 . 1 1 117 117 GLU H H 117 8.933 8.933 8.972 -0.039 18364 11038 1 19 . 1 1 118 118 THR N N 118 110.826 110.826 112.454 -1.628 18364 11039 1 19 . 1 1 118 118 THR HA H 118 5.190 5.190 4.447 0.743 18364 11040 1 19 . 1 1 118 118 THR CA C 118 57.036 57.036 60.715 -3.679 18364 11041 1 19 . 1 1 118 118 THR CB C 118 69.888 69.888 70.599 -0.711 18364 11042 1 19 . 1 1 118 118 THR H H 118 8.664 8.664 8.411 0.253 18364 11043 1 19 . 1 1 119 119 PHE N N 119 115.915 115.915 117.198 -1.283 18364 11044 1 19 . 1 1 119 119 PHE HA H 119 4.999 4.999 5.154 -0.155 18364 11045 1 19 . 1 1 119 119 PHE CA C 119 53.804 53.804 56.641 -2.837 18364 11046 1 19 . 1 1 119 119 PHE CB C 119 39.787 39.787 42.145 -2.358 18364 11047 1 19 . 1 1 119 119 PHE H H 119 8.087 8.087 7.731 0.356 18364 11048 1 19 . 1 1 120 120 SER N N 120 114.953 114.953 115.820 -0.867 18364 11049 1 19 . 1 1 120 120 SER HA H 120 5.383 5.383 4.736 0.647 18364 11050 1 19 . 1 1 120 120 SER CA C 120 55.192 55.192 57.493 -2.301 18364 11051 1 19 . 1 1 120 120 SER CB C 120 62.113 62.113 64.914 -2.801 18364 11052 1 19 . 1 1 120 120 SER H H 120 8.627 8.627 8.618 0.009 18364 11053 1 19 . 1 1 121 121 VAL N N 121 124.122 124.122 124.476 -0.354 18364 11054 1 19 . 1 1 121 121 VAL HA H 121 4.349 4.349 4.392 -0.043 18364 11055 1 19 . 1 1 121 121 VAL CA C 121 59.005 59.005 61.939 -2.934 18364 11056 1 19 . 1 1 121 121 VAL CB C 121 34.127 34.127 35.455 -1.328 18364 11057 1 19 . 1 1 121 121 VAL H H 121 8.866 8.866 8.613 0.253 18364 11058 1 19 . 1 1 122 122 SER N N 122 119.703 119.703 122.000 -2.297 18364 11059 1 19 . 1 1 122 122 SER HA H 122 5.598 5.598 5.416 0.182 18364 11060 1 19 . 1 1 122 122 SER CA C 122 53.065 53.065 56.941 -3.876 18364 11061 1 19 . 1 1 122 122 SER CB C 122 63.442 63.442 65.472 -2.030 18364 11062 1 19 . 1 1 122 122 SER H H 122 8.334 8.334 8.480 -0.146 18364 11063 1 19 . 1 1 123 123 THR N N 123 113.276 113.276 113.708 -0.432 18364 11064 1 19 . 1 1 123 123 THR HA H 123 4.093 4.093 4.478 -0.385 18364 11065 1 19 . 1 1 123 123 THR CA C 123 60.143 60.143 61.903 -1.760 18364 11066 1 19 . 1 1 123 123 THR CB C 123 64.437 64.437 69.179 -4.742 18364 11067 1 19 . 1 1 123 123 THR H H 123 8.898 8.898 8.922 -0.024 18364 11068 1 19 . 1 1 124 124 LYS N N 124 119.191 119.191 120.637 -1.446 18364 11069 1 19 . 1 1 124 124 LYS HA H 124 4.324 4.324 4.516 -0.192 18364 11070 1 19 . 1 1 124 124 LYS CA C 124 53.486 53.486 56.787 -3.301 18364 11071 1 19 . 1 1 124 124 LYS CB C 124 32.376 32.376 35.063 -2.688 18364 11072 1 19 . 1 1 124 124 LYS H H 124 7.569 7.569 7.851 -0.282 18364 11073 1 19 . 1 1 125 125 GLU N N 125 124.243 124.243 128.073 -3.830 18364 11074 1 19 . 1 1 125 125 GLU HA H 125 4.255 4.255 4.628 -0.373 18364 11075 1 19 . 1 1 125 125 GLU CA C 125 53.830 53.830 55.977 -2.147 18364 11076 1 19 . 1 1 125 125 GLU CB C 125 27.674 27.674 29.364 -1.690 18364 11077 1 19 . 1 1 125 125 GLU H H 125 8.359 8.359 8.939 -0.580 18364 11078 1 20 . 1 1 2 2 ALA CA C 2 50.698 50.698 52.250 -1.552 18364 11079 1 20 . 1 1 2 2 ALA CB C 2 16.688 16.688 18.173 -1.485 18364 11080 1 20 . 1 1 3 3 SER N N 3 113.663 113.663 119.043 -5.380 18364 11081 1 20 . 1 1 3 3 SER HA H 3 4.296 4.296 4.645 -0.349 18364 11082 1 20 . 1 1 3 3 SER CA C 3 55.573 55.573 57.043 -1.470 18364 11083 1 20 . 1 1 3 3 SER CB C 3 60.888 60.888 65.377 -4.489 18364 11084 1 20 . 1 1 3 3 SER H H 3 8.301 8.301 8.493 -0.192 18364 11085 1 20 . 1 1 4 4 ASP N N 4 121.532 121.532 121.164 0.368 18364 11086 1 20 . 1 1 4 4 ASP HA H 4 4.394 4.394 4.746 -0.352 18364 11087 1 20 . 1 1 4 4 ASP CA C 4 51.748 51.748 54.094 -2.346 18364 11088 1 20 . 1 1 4 4 ASP CB C 4 38.614 38.614 40.851 -2.237 18364 11089 1 20 . 1 1 4 4 ASP H H 4 7.874 7.874 8.471 -0.597 18364 11090 1 20 . 1 1 5 5 PHE N N 5 119.126 119.126 120.146 -1.020 18364 11091 1 20 . 1 1 5 5 PHE HA H 5 4.535 4.535 4.890 -0.355 18364 11092 1 20 . 1 1 5 5 PHE CA C 5 54.589 54.589 56.792 -2.203 18364 11093 1 20 . 1 1 5 5 PHE CB C 5 37.079 37.079 39.621 -2.542 18364 11094 1 20 . 1 1 5 5 PHE H H 5 7.832 7.832 7.988 -0.156 18364 11095 1 20 . 1 1 6 6 GLN N N 6 122.092 122.092 124.880 -2.788 18364 11096 1 20 . 1 1 6 6 GLN HA H 6 4.417 4.417 4.773 -0.356 18364 11097 1 20 . 1 1 6 6 GLN CA C 6 53.128 53.128 55.379 -2.251 18364 11098 1 20 . 1 1 6 6 GLN CB C 6 27.477 27.477 31.481 -4.004 18364 11099 1 20 . 1 1 6 6 GLN H H 6 8.447 8.447 8.633 -0.186 18364 11100 1 20 . 1 1 7 7 THR N N 7 114.717 114.717 113.261 1.456 18364 11101 1 20 . 1 1 7 7 THR HA H 7 5.035 5.035 4.815 0.220 18364 11102 1 20 . 1 1 7 7 THR CA C 7 57.906 57.906 60.688 -2.782 18364 11103 1 20 . 1 1 7 7 THR CB C 7 68.370 68.370 71.942 -3.572 18364 11104 1 20 . 1 1 7 7 THR H H 7 8.145 8.145 8.177 -0.032 18364 11105 1 20 . 1 1 8 8 GLY N N 8 111.628 111.628 110.511 1.117 18364 11106 1 20 . 1 1 8 8 GLY CA C 8 43.774 43.774 45.284 -1.510 18364 11107 1 20 . 1 1 8 8 GLY H H 8 9.234 9.234 8.014 1.220 18364 11108 1 20 . 1 1 9 9 ILE N N 9 119.585 119.585 124.058 -4.473 18364 11109 1 20 . 1 1 9 9 ILE HA H 9 3.934 3.934 4.518 -0.584 18364 11110 1 20 . 1 1 9 9 ILE CA C 9 58.907 58.907 60.267 -1.360 18364 11111 1 20 . 1 1 9 9 ILE CB C 9 35.738 35.738 37.591 -1.853 18364 11112 1 20 . 1 1 9 9 ILE H H 9 8.603 8.603 8.643 -0.040 18364 11113 1 20 . 1 1 10 10 HIS N N 10 133.616 133.616 127.976 5.640 18364 11114 1 20 . 1 1 10 10 HIS HA H 10 5.185 5.185 4.991 0.194 18364 11115 1 20 . 1 1 10 10 HIS CA C 10 53.587 53.587 56.243 -2.656 18364 11116 1 20 . 1 1 10 10 HIS CB C 10 30.817 30.817 30.021 0.796 18364 11117 1 20 . 1 1 10 10 HIS H H 10 8.599 8.599 8.797 -0.198 18364 11118 1 20 . 1 1 11 11 LYS N N 11 122.949 122.949 122.687 0.262 18364 11119 1 20 . 1 1 11 11 LYS HA H 11 5.236 5.236 5.159 0.077 18364 11120 1 20 . 1 1 11 11 LYS CA C 11 52.748 52.748 54.721 -1.974 18364 11121 1 20 . 1 1 11 11 LYS CB C 11 35.137 35.137 36.316 -1.179 18364 11122 1 20 . 1 1 11 11 LYS H H 11 8.775 8.775 8.779 -0.004 18364 11123 1 20 . 1 1 12 12 ILE N N 12 125.260 125.260 120.693 4.567 18364 11124 1 20 . 1 1 12 12 ILE HA H 12 5.273 5.273 5.143 0.130 18364 11125 1 20 . 1 1 12 12 ILE CA C 12 55.780 55.780 59.450 -3.670 18364 11126 1 20 . 1 1 12 12 ILE CB C 12 38.767 38.767 42.466 -3.699 18364 11127 1 20 . 1 1 12 12 ILE H H 12 8.578 8.578 8.645 -0.067 18364 11128 1 20 . 1 1 13 13 VAL N N 13 126.515 126.515 124.537 1.978 18364 11129 1 20 . 1 1 13 13 VAL HA H 13 4.795 4.795 4.947 -0.152 18364 11130 1 20 . 1 1 13 13 VAL CA C 13 58.115 58.115 60.938 -2.823 18364 11131 1 20 . 1 1 13 13 VAL CB C 13 32.948 32.948 34.936 -1.988 18364 11132 1 20 . 1 1 13 13 VAL H H 13 9.052 9.052 8.966 0.086 18364 11133 1 20 . 1 1 14 14 ILE N N 14 125.803 125.803 126.249 -0.446 18364 11134 1 20 . 1 1 14 14 ILE HA H 14 5.008 5.008 4.997 0.011 18364 11135 1 20 . 1 1 14 14 ILE CA C 14 57.539 57.539 60.063 -2.524 18364 11136 1 20 . 1 1 14 14 ILE CB C 14 38.656 38.656 42.595 -3.939 18364 11137 1 20 . 1 1 14 14 ILE H H 14 8.974 8.974 8.900 0.074 18364 11138 1 20 . 1 1 15 15 GLN N N 15 125.773 125.773 120.966 4.807 18364 11139 1 20 . 1 1 15 15 GLN HA H 15 5.433 5.433 4.980 0.453 18364 11140 1 20 . 1 1 15 15 GLN CA C 15 51.002 51.002 54.300 -3.298 18364 11141 1 20 . 1 1 15 15 GLN CB C 15 29.637 29.637 33.426 -3.789 18364 11142 1 20 . 1 1 15 15 GLN H H 15 9.244 9.244 8.899 0.345 18364 11143 1 20 . 1 1 16 16 GLN N N 16 119.832 119.832 118.161 1.671 18364 11144 1 20 . 1 1 16 16 GLN HA H 16 5.741 5.741 5.324 0.417 18364 11145 1 20 . 1 1 16 16 GLN CA C 16 50.572 50.572 54.507 -3.935 18364 11146 1 20 . 1 1 16 16 GLN CB C 16 30.039 30.039 32.534 -2.495 18364 11147 1 20 . 1 1 16 16 GLN H H 16 8.964 8.964 8.220 0.744 18364 11148 1 20 . 1 1 17 17 SER N N 17 115.201 115.201 117.429 -2.228 18364 11149 1 20 . 1 1 17 17 SER HA H 17 4.526 4.526 4.783 -0.257 18364 11150 1 20 . 1 1 17 17 SER CA C 17 54.831 54.831 58.308 -3.477 18364 11151 1 20 . 1 1 17 17 SER CB C 17 62.930 62.930 66.419 -3.489 18364 11152 1 20 . 1 1 17 17 SER H H 17 8.770 8.770 8.263 0.507 18364 11153 1 20 . 1 1 18 18 GLY N N 18 109.321 109.321 110.657 -1.336 18364 11154 1 20 . 1 1 18 18 GLY CA C 18 41.737 41.737 44.688 -2.951 18364 11155 1 20 . 1 1 18 18 GLY H H 18 8.798 8.798 8.331 0.467 18364 11156 1 20 . 1 1 19 19 ASP N N 19 128.121 128.121 125.371 2.750 18364 11157 1 20 . 1 1 19 19 ASP HA H 19 5.071 5.071 4.709 0.362 18364 11158 1 20 . 1 1 19 19 ASP CA C 19 51.251 51.251 54.144 -2.893 18364 11159 1 20 . 1 1 19 19 ASP CB C 19 37.872 37.872 40.108 -2.236 18364 11160 1 20 . 1 1 19 19 ASP H H 19 9.708 9.708 8.446 1.262 18364 11161 1 20 . 1 1 20 20 THR N N 20 111.610 111.610 115.001 -3.391 18364 11162 1 20 . 1 1 20 20 THR HA H 20 3.615 3.615 3.608 0.007 18364 11163 1 20 . 1 1 20 20 THR CA C 20 63.331 63.331 62.430 0.901 18364 11164 1 20 . 1 1 20 20 THR CB C 20 64.873 64.873 67.618 -2.745 18364 11165 1 20 . 1 1 20 20 THR H H 20 8.136 8.136 7.972 0.164 18364 11166 1 20 . 1 1 21 21 ASP N N 21 118.304 118.304 122.822 -4.518 18364 11167 1 20 . 1 1 21 21 ASP HA H 21 4.639 4.639 4.767 -0.128 18364 11168 1 20 . 1 1 21 21 ASP CA C 21 52.945 52.945 54.661 -1.716 18364 11169 1 20 . 1 1 21 21 ASP CB C 21 37.785 37.785 41.999 -4.214 18364 11170 1 20 . 1 1 21 21 ASP H H 21 8.566 8.566 8.506 0.060 18364 11171 1 20 . 1 1 22 22 SER N N 22 114.253 114.253 116.423 -2.170 18364 11172 1 20 . 1 1 22 22 SER HA H 22 4.384 4.384 4.786 -0.402 18364 11173 1 20 . 1 1 22 22 SER CA C 22 57.170 57.170 58.395 -1.225 18364 11174 1 20 . 1 1 22 22 SER CB C 22 61.441 61.441 63.866 -2.425 18364 11175 1 20 . 1 1 22 22 SER H H 22 8.076 8.076 8.252 -0.176 18364 11176 1 20 . 1 1 23 23 PHE N N 23 119.853 119.853 119.077 0.776 18364 11177 1 20 . 1 1 23 23 PHE HA H 23 5.010 5.010 5.486 -0.476 18364 11178 1 20 . 1 1 23 23 PHE CA C 23 53.272 53.272 56.141 -2.869 18364 11179 1 20 . 1 1 23 23 PHE CB C 23 42.021 42.021 41.636 0.385 18364 11180 1 20 . 1 1 23 23 PHE H H 23 7.611 7.611 8.018 -0.407 18364 11181 1 20 . 1 1 24 24 GLU N N 24 119.255 119.255 118.453 0.802 18364 11182 1 20 . 1 1 24 24 GLU HA H 24 4.571 4.571 4.292 0.279 18364 11183 1 20 . 1 1 24 24 GLU CA C 24 52.642 52.642 54.224 -1.582 18364 11184 1 20 . 1 1 24 24 GLU CB C 24 28.881 28.881 33.208 -4.327 18364 11185 1 20 . 1 1 24 24 GLU H H 24 8.958 8.958 8.718 0.240 18364 11186 1 20 . 1 1 25 25 VAL N N 25 130.637 130.637 121.316 9.321 18364 11187 1 20 . 1 1 25 25 VAL HA H 25 4.859 4.859 4.645 0.214 18364 11188 1 20 . 1 1 25 25 VAL CA C 25 58.548 58.548 61.400 -2.852 18364 11189 1 20 . 1 1 25 25 VAL CB C 25 30.439 30.439 32.672 -2.233 18364 11190 1 20 . 1 1 25 25 VAL H H 25 9.678 9.678 8.565 1.113 18364 11191 1 20 . 1 1 26 26 SER N N 26 122.555 122.555 120.926 1.629 18364 11192 1 20 . 1 1 26 26 SER HA H 26 5.289 5.289 4.650 0.639 18364 11193 1 20 . 1 1 26 26 SER CA C 26 54.088 54.088 57.146 -3.058 18364 11194 1 20 . 1 1 26 26 SER CB C 26 62.476 62.476 63.725 -1.249 18364 11195 1 20 . 1 1 26 26 SER H H 26 8.883 8.883 8.218 0.665 18364 11196 1 20 . 1 1 27 27 VAL N N 27 113.682 113.682 126.227 -12.545 18364 11197 1 20 . 1 1 27 27 VAL HA H 27 5.269 5.269 4.526 0.743 18364 11198 1 20 . 1 1 27 27 VAL CA C 27 56.005 56.005 60.527 -4.522 18364 11199 1 20 . 1 1 27 27 VAL CB C 27 34.158 34.158 35.326 -1.168 18364 11200 1 20 . 1 1 27 27 VAL H H 27 8.493 8.493 8.007 0.486 18364 11201 1 20 . 1 1 28 28 SER N N 28 116.852 116.852 121.457 -4.605 18364 11202 1 20 . 1 1 28 28 SER HA H 28 5.410 5.410 4.903 0.507 18364 11203 1 20 . 1 1 28 28 SER CA C 28 54.633 54.633 59.057 -4.424 18364 11204 1 20 . 1 1 28 28 SER CB C 28 62.095 62.095 64.127 -2.032 18364 11205 1 20 . 1 1 28 28 SER H H 28 8.709 8.709 8.622 0.087 18364 11206 1 20 . 1 1 29 29 ILE N N 29 128.765 128.765 123.017 5.748 18364 11207 1 20 . 1 1 29 29 ILE HA H 29 5.224 5.224 4.719 0.505 18364 11208 1 20 . 1 1 29 29 ILE CA C 29 57.247 57.247 59.831 -2.584 18364 11209 1 20 . 1 1 29 29 ILE CB C 29 39.144 39.144 41.183 -2.039 18364 11210 1 20 . 1 1 29 29 ILE H H 29 9.631 9.631 8.740 0.891 18364 11211 1 20 . 1 1 30 30 GLY N N 30 112.478 112.478 112.400 0.078 18364 11212 1 20 . 1 1 30 30 GLY CA C 30 42.140 42.140 44.895 -2.755 18364 11213 1 20 . 1 1 30 30 GLY H H 30 8.095 8.095 7.807 0.288 18364 11214 1 20 . 1 1 31 31 GLY N N 31 108.502 108.502 104.891 3.611 18364 11215 1 20 . 1 1 31 31 GLY CA C 31 43.201 43.201 44.471 -1.270 18364 11216 1 20 . 1 1 31 31 GLY H H 31 9.755 9.755 8.066 1.689 18364 11217 1 20 . 1 1 32 32 ALA N N 32 122.020 122.020 120.227 1.793 18364 11218 1 20 . 1 1 32 32 ALA HA H 32 4.967 4.967 5.185 -0.218 18364 11219 1 20 . 1 1 32 32 ALA CA C 32 48.540 48.540 50.199 -1.659 18364 11220 1 20 . 1 1 32 32 ALA CB C 32 21.078 21.078 22.784 -1.706 18364 11221 1 20 . 1 1 32 32 ALA H H 32 7.338 7.338 7.066 0.272 18364 11222 1 20 . 1 1 33 33 ASP N N 33 121.217 121.217 119.429 1.788 18364 11223 1 20 . 1 1 33 33 ASP HA H 33 3.680 3.680 4.924 -1.244 18364 11224 1 20 . 1 1 33 33 ASP CA C 33 49.520 49.520 52.115 -2.595 18364 11225 1 20 . 1 1 33 33 ASP CB C 33 40.840 40.840 43.863 -3.023 18364 11226 1 20 . 1 1 33 33 ASP H H 33 8.945 8.945 9.002 -0.057 18364 11227 1 20 . 1 1 34 34 LYS N N 34 117.693 117.693 121.218 -3.525 18364 11228 1 20 . 1 1 34 34 LYS HA H 34 4.017 4.017 4.436 -0.419 18364 11229 1 20 . 1 1 34 34 LYS CA C 34 56.700 56.700 56.293 0.407 18364 11230 1 20 . 1 1 34 34 LYS CB C 34 29.772 29.772 31.355 -1.583 18364 11231 1 20 . 1 1 34 34 LYS H H 34 8.200 8.200 8.323 -0.123 18364 11232 1 20 . 1 1 35 35 GLY N N 35 106.697 106.697 110.662 -3.965 18364 11233 1 20 . 1 1 35 35 GLY CA C 35 42.719 42.719 44.883 -2.164 18364 11234 1 20 . 1 1 35 35 GLY H H 35 8.653 8.653 8.365 0.288 18364 11235 1 20 . 1 1 36 36 GLY N N 36 110.824 110.824 109.185 1.639 18364 11236 1 20 . 1 1 36 36 GLY CA C 36 41.099 41.099 44.973 -3.874 18364 11237 1 20 . 1 1 36 36 GLY H H 36 7.601 7.601 8.600 -0.999 18364 11238 1 20 . 1 1 37 37 PRO HA H 37 4.571 4.571 4.613 -0.042 18364 11239 1 20 . 1 1 37 37 PRO CA C 37 60.012 60.012 62.293 -2.281 18364 11240 1 20 . 1 1 37 37 PRO CB C 37 29.470 29.470 32.596 -3.126 18364 11241 1 20 . 1 1 38 38 ALA N N 38 127.841 127.841 126.319 1.522 18364 11242 1 20 . 1 1 38 38 ALA HA H 38 4.127 4.127 4.565 -0.438 18364 11243 1 20 . 1 1 38 38 ALA CA C 38 48.117 48.117 50.688 -2.571 18364 11244 1 20 . 1 1 38 38 ALA CB C 38 16.655 16.655 19.854 -3.199 18364 11245 1 20 . 1 1 38 38 ALA H H 38 7.486 7.486 8.221 -0.735 18364 11246 1 20 . 1 1 39 39 LYS N N 39 121.148 121.148 125.914 -4.766 18364 11247 1 20 . 1 1 39 39 LYS HA H 39 4.115 4.115 4.181 -0.066 18364 11248 1 20 . 1 1 39 39 LYS CA C 39 55.674 55.674 56.984 -1.310 18364 11249 1 20 . 1 1 39 39 LYS CB C 39 31.223 31.223 31.992 -0.769 18364 11250 1 20 . 1 1 39 39 LYS H H 39 8.042 8.042 8.570 -0.528 18364 11251 1 20 . 1 1 40 40 LEU N N 40 118.817 118.817 123.408 -4.591 18364 11252 1 20 . 1 1 40 40 LEU HA H 40 5.122 5.122 4.927 0.195 18364 11253 1 20 . 1 1 40 40 LEU CA C 40 50.156 50.156 53.431 -3.275 18364 11254 1 20 . 1 1 40 40 LEU CB C 40 42.172 42.172 42.550 -0.378 18364 11255 1 20 . 1 1 40 40 LEU H H 40 7.901 7.901 8.261 -0.360 18364 11256 1 20 . 1 1 41 41 TYR N N 41 117.843 117.843 117.003 0.840 18364 11257 1 20 . 1 1 41 41 TYR HA H 41 5.303 5.303 5.135 0.168 18364 11258 1 20 . 1 1 41 41 TYR CA C 41 53.394 53.394 56.753 -3.359 18364 11259 1 20 . 1 1 41 41 TYR CB C 41 39.419 39.419 42.046 -2.627 18364 11260 1 20 . 1 1 41 41 TYR H H 41 9.109 9.109 8.926 0.183 18364 11261 1 20 . 1 1 42 42 ASN N N 42 117.689 117.689 119.909 -2.220 18364 11262 1 20 . 1 1 42 42 ASN HA H 42 4.984 4.984 4.820 0.164 18364 11263 1 20 . 1 1 42 42 ASN CA C 42 48.001 48.001 52.295 -4.294 18364 11264 1 20 . 1 1 42 42 ASN CB C 42 36.514 36.514 39.651 -3.137 18364 11265 1 20 . 1 1 42 42 ASN H H 42 8.239 8.239 8.557 -0.318 18364 11266 1 20 . 1 1 43 43 ASP N N 43 116.760 116.760 118.386 -1.626 18364 11267 1 20 . 1 1 43 43 ASP HA H 43 4.170 4.170 4.641 -0.471 18364 11268 1 20 . 1 1 43 43 ASP CA C 43 53.123 53.123 55.442 -2.319 18364 11269 1 20 . 1 1 43 43 ASP CB C 43 37.355 37.355 40.191 -2.836 18364 11270 1 20 . 1 1 43 43 ASP H H 43 8.650 8.650 8.771 -0.121 18364 11271 1 20 . 1 1 44 44 LYS N N 44 118.108 118.108 117.988 0.120 18364 11272 1 20 . 1 1 44 44 LYS HA H 44 4.359 4.359 4.413 -0.054 18364 11273 1 20 . 1 1 44 44 LYS CA C 44 52.676 52.676 56.297 -3.620 18364 11274 1 20 . 1 1 44 44 LYS CB C 44 30.170 30.170 33.001 -2.831 18364 11275 1 20 . 1 1 44 44 LYS H H 44 7.505 7.505 7.780 -0.275 18364 11276 1 20 . 1 1 45 45 GLY N N 45 108.163 108.163 108.431 -0.268 18364 11277 1 20 . 1 1 45 45 GLY CA C 45 42.988 42.988 45.322 -2.334 18364 11278 1 20 . 1 1 45 45 GLY H H 45 8.117 8.117 8.460 -0.343 18364 11279 1 20 . 1 1 46 46 GLU N N 46 120.173 120.173 119.154 1.019 18364 11280 1 20 . 1 1 46 46 GLU HA H 46 4.345 4.345 4.625 -0.280 18364 11281 1 20 . 1 1 46 46 GLU CA C 46 52.409 52.409 55.535 -3.126 18364 11282 1 20 . 1 1 46 46 GLU CB C 46 27.408 27.408 31.406 -3.998 18364 11283 1 20 . 1 1 46 46 GLU H H 46 7.884 7.884 8.167 -0.283 18364 11284 1 20 . 1 1 47 47 TYR N N 47 123.803 123.803 119.275 4.528 18364 11285 1 20 . 1 1 47 47 TYR HA H 47 4.351 4.351 4.671 -0.320 18364 11286 1 20 . 1 1 47 47 TYR CA C 47 54.317 54.317 56.651 -2.333 18364 11287 1 20 . 1 1 47 47 TYR CB C 47 35.858 35.858 39.462 -3.604 18364 11288 1 20 . 1 1 47 47 TYR H H 47 8.710 8.710 8.632 0.078 18364 11289 1 20 . 1 1 48 48 ILE N N 48 123.458 123.458 119.096 4.362 18364 11290 1 20 . 1 1 48 48 ILE HA H 48 4.173 4.173 4.361 -0.188 18364 11291 1 20 . 1 1 48 48 ILE CA C 48 58.314 58.314 60.351 -2.037 18364 11292 1 20 . 1 1 48 48 ILE CB C 48 36.129 36.129 38.563 -2.434 18364 11293 1 20 . 1 1 48 48 ILE H H 48 8.416 8.416 7.901 0.515 18364 11294 1 20 . 1 1 49 49 GLY N N 49 107.257 107.257 109.711 -2.454 18364 11295 1 20 . 1 1 49 49 GLY CA C 49 41.367 41.367 44.728 -3.361 18364 11296 1 20 . 1 1 49 49 GLY H H 49 5.472 5.472 7.944 -2.472 18364 11297 1 20 . 1 1 50 50 ASP N N 50 116.887 116.887 115.624 1.263 18364 11298 1 20 . 1 1 50 50 ASP HA H 50 5.043 5.043 4.916 0.127 18364 11299 1 20 . 1 1 50 50 ASP CA C 50 50.588 50.588 53.551 -2.963 18364 11300 1 20 . 1 1 50 50 ASP CB C 50 37.448 37.448 41.956 -4.508 18364 11301 1 20 . 1 1 50 50 ASP H H 50 8.234 8.234 8.529 -0.295 18364 11302 1 20 . 1 1 51 51 SER N N 51 112.664 112.664 113.846 -1.182 18364 11303 1 20 . 1 1 51 51 SER HA H 51 4.439 4.439 5.002 -0.563 18364 11304 1 20 . 1 1 51 51 SER CA C 51 55.489 55.489 58.020 -2.531 18364 11305 1 20 . 1 1 51 51 SER CB C 51 61.559 61.559 64.589 -3.030 18364 11306 1 20 . 1 1 51 51 SER H H 51 7.689 7.689 7.495 0.194 18364 11307 1 20 . 1 1 52 52 TYR N N 52 122.672 122.672 119.883 2.789 18364 11308 1 20 . 1 1 52 52 TYR HA H 52 4.732 4.732 4.769 -0.037 18364 11309 1 20 . 1 1 52 52 TYR CA C 52 55.168 55.168 57.682 -2.514 18364 11310 1 20 . 1 1 52 52 TYR CB C 52 38.599 38.599 38.379 0.220 18364 11311 1 20 . 1 1 52 52 TYR H H 52 8.231 8.231 7.939 0.292 18364 11312 1 20 . 1 1 53 53 SER N N 53 123.803 123.803 116.436 7.367 18364 11313 1 20 . 1 1 53 53 SER HA H 53 5.429 5.429 5.396 0.033 18364 11314 1 20 . 1 1 53 53 SER CA C 53 53.508 53.508 56.812 -3.304 18364 11315 1 20 . 1 1 53 53 SER CB C 53 61.674 61.674 66.649 -4.975 18364 11316 1 20 . 1 1 53 53 SER H H 53 8.008 8.008 8.668 -0.660 18364 11317 1 20 . 1 1 54 54 ALA N N 54 125.516 125.516 123.620 1.896 18364 11318 1 20 . 1 1 54 54 ALA HA H 54 4.289 4.289 4.677 -0.388 18364 11319 1 20 . 1 1 54 54 ALA CA C 54 49.097 49.097 52.263 -3.166 18364 11320 1 20 . 1 1 54 54 ALA CB C 54 20.259 20.259 21.361 -1.102 18364 11321 1 20 . 1 1 54 54 ALA H H 54 8.089 8.089 8.792 -0.703 18364 11322 1 20 . 1 1 55 55 GLN N N 55 118.838 118.838 125.654 -6.816 18364 11323 1 20 . 1 1 55 55 GLN HA H 55 4.975 4.975 4.554 0.421 18364 11324 1 20 . 1 1 55 55 GLN CA C 55 52.306 52.306 55.636 -3.330 18364 11325 1 20 . 1 1 55 55 GLN CB C 55 26.138 26.138 29.245 -3.107 18364 11326 1 20 . 1 1 55 55 GLN H H 55 8.100 8.100 8.435 -0.335 18364 11327 1 20 . 1 1 56 56 ILE N N 56 124.748 124.748 126.901 -2.153 18364 11328 1 20 . 1 1 56 56 ILE HA H 56 4.246 4.246 4.025 0.221 18364 11329 1 20 . 1 1 56 56 ILE CA C 56 57.529 57.529 62.049 -4.520 18364 11330 1 20 . 1 1 56 56 ILE CB C 56 34.915 34.915 36.523 -1.608 18364 11331 1 20 . 1 1 56 56 ILE H H 56 8.910 8.910 8.480 0.430 18364 11332 1 20 . 1 1 57 57 ARG N N 57 127.183 127.183 124.874 2.309 18364 11333 1 20 . 1 1 57 57 ARG HA H 57 4.777 4.777 4.615 0.162 18364 11334 1 20 . 1 1 57 57 ARG CA C 57 52.455 52.455 55.238 -2.783 18364 11335 1 20 . 1 1 57 57 ARG CB C 57 28.839 28.839 31.417 -2.578 18364 11336 1 20 . 1 1 57 57 ARG H H 57 8.979 8.979 8.661 0.318 18364 11337 1 20 . 1 1 58 58 THR N N 58 109.995 109.995 110.647 -0.652 18364 11338 1 20 . 1 1 58 58 THR HA H 58 4.529 4.529 4.567 -0.038 18364 11339 1 20 . 1 1 58 58 THR CA C 58 57.124 57.124 60.682 -3.558 18364 11340 1 20 . 1 1 58 58 THR CB C 58 68.143 68.143 71.388 -3.245 18364 11341 1 20 . 1 1 58 58 THR H H 58 7.150 7.150 7.586 -0.436 18364 11342 1 20 . 1 1 59 59 ALA N N 59 123.143 123.143 122.460 0.683 18364 11343 1 20 . 1 1 59 59 ALA HA H 59 4.167 4.167 4.150 0.017 18364 11344 1 20 . 1 1 59 59 ALA CA C 59 52.603 52.603 54.336 -1.733 18364 11345 1 20 . 1 1 59 59 ALA CB C 59 16.910 16.910 19.029 -2.119 18364 11346 1 20 . 1 1 59 59 ALA H H 59 8.531 8.531 8.554 -0.023 18364 11347 1 20 . 1 1 60 60 THR N N 60 105.988 105.988 108.536 -2.548 18364 11348 1 20 . 1 1 60 60 THR HA H 60 5.471 5.471 4.898 0.573 18364 11349 1 20 . 1 1 60 60 THR CA C 60 56.904 56.904 60.225 -3.321 18364 11350 1 20 . 1 1 60 60 THR CB C 60 69.111 69.111 70.185 -1.074 18364 11351 1 20 . 1 1 60 60 THR H H 60 7.521 7.521 7.535 -0.014 18364 11352 1 20 . 1 1 61 61 MET N N 61 124.706 124.706 122.096 2.610 18364 11353 1 20 . 1 1 61 61 MET HA H 61 4.641 4.641 5.060 -0.419 18364 11354 1 20 . 1 1 61 61 MET CA C 61 52.883 52.883 53.296 -0.413 18364 11355 1 20 . 1 1 61 61 MET CB C 61 32.345 32.345 37.418 -5.073 18364 11356 1 20 . 1 1 61 61 MET H H 61 8.758 8.758 9.213 -0.455 18364 11357 1 20 . 1 1 62 62 SER N N 62 117.004 117.004 114.357 2.647 18364 11358 1 20 . 1 1 62 62 SER HA H 62 5.551 5.551 5.225 0.326 18364 11359 1 20 . 1 1 62 62 SER CA C 62 54.255 54.255 57.792 -3.537 18364 11360 1 20 . 1 1 62 62 SER CB C 62 64.130 64.130 66.048 -1.918 18364 11361 1 20 . 1 1 62 62 SER H H 62 8.164 8.164 8.433 -0.269 18364 11362 1 20 . 1 1 63 63 CYS N N 63 120.270 120.270 118.275 1.995 18364 11363 1 20 . 1 1 63 63 CYS HA H 63 5.075 5.075 5.362 -0.287 18364 11364 1 20 . 1 1 63 63 CYS CA C 63 54.676 54.676 58.044 -3.368 18364 11365 1 20 . 1 1 63 63 CYS CB C 63 28.679 28.679 32.720 -4.041 18364 11366 1 20 . 1 1 63 63 CYS H H 63 8.537 8.537 8.243 0.294 18364 11367 1 20 . 1 1 64 64 CYS N N 64 120.868 120.868 116.084 4.784 18364 11368 1 20 . 1 1 64 64 CYS HA H 64 5.918 5.918 5.506 0.412 18364 11369 1 20 . 1 1 64 64 CYS CA C 64 53.204 53.204 56.382 -3.178 18364 11370 1 20 . 1 1 64 64 CYS CB C 64 30.216 30.216 31.404 -1.188 18364 11371 1 20 . 1 1 64 64 CYS H H 64 9.307 9.307 8.976 0.331 18364 11372 1 20 . 1 1 65 65 THR N N 65 109.830 109.830 111.480 -1.650 18364 11373 1 20 . 1 1 65 65 THR HA H 65 5.426 5.426 5.228 0.198 18364 11374 1 20 . 1 1 65 65 THR CA C 65 58.465 58.465 59.786 -1.321 18364 11375 1 20 . 1 1 65 65 THR CB C 65 69.665 69.665 71.618 -1.953 18364 11376 1 20 . 1 1 65 65 THR H H 65 8.447 8.447 8.278 0.169 18364 11377 1 20 . 1 1 66 66 ASN N N 66 114.459 114.459 117.595 -3.136 18364 11378 1 20 . 1 1 66 66 ASN HA H 66 4.656 4.656 4.737 -0.081 18364 11379 1 20 . 1 1 66 66 ASN CA C 66 49.879 49.879 51.911 -2.032 18364 11380 1 20 . 1 1 66 66 ASN CB C 66 36.267 36.267 39.579 -3.312 18364 11381 1 20 . 1 1 66 66 ASN H H 66 9.300 9.300 8.784 0.516 18364 11382 1 20 . 1 1 67 67 GLY N N 67 103.647 103.647 106.186 -2.539 18364 11383 1 20 . 1 1 67 67 GLY CA C 67 43.796 43.796 45.449 -1.653 18364 11384 1 20 . 1 1 67 67 GLY H H 67 8.237 8.237 8.729 -0.492 18364 11385 1 20 . 1 1 69 69 ALA N N 69 121.911 121.911 122.108 -0.197 18364 11386 1 20 . 1 1 69 69 ALA HA H 69 4.244 4.244 4.225 0.019 18364 11387 1 20 . 1 1 69 69 ALA CA C 69 49.758 49.758 52.206 -2.447 18364 11388 1 20 . 1 1 69 69 ALA CB C 69 17.376 17.376 19.542 -2.166 18364 11389 1 20 . 1 1 69 69 ALA H H 69 7.677 7.677 7.117 0.560 18364 11390 1 20 . 1 1 70 70 PHE N N 70 114.118 114.118 116.823 -2.705 18364 11391 1 20 . 1 1 70 70 PHE HA H 70 4.965 4.965 4.835 0.130 18364 11392 1 20 . 1 1 70 70 PHE CA C 70 53.129 53.129 57.514 -4.385 18364 11393 1 20 . 1 1 70 70 PHE CB C 70 37.917 37.917 41.503 -3.586 18364 11394 1 20 . 1 1 70 70 PHE H H 70 8.549 8.549 8.486 0.063 18364 11395 1 20 . 1 1 71 71 PHE N N 71 110.252 110.252 111.111 -0.859 18364 11396 1 20 . 1 1 71 71 PHE HA H 71 4.247 4.247 4.451 -0.204 18364 11397 1 20 . 1 1 71 71 PHE CA C 71 54.475 54.475 56.114 -1.639 18364 11398 1 20 . 1 1 71 71 PHE CB C 71 38.123 38.123 40.105 -1.982 18364 11399 1 20 . 1 1 71 71 PHE H H 71 6.617 6.617 6.832 -0.215 18364 11400 1 20 . 1 1 72 72 MET N N 72 118.637 118.637 118.291 0.346 18364 11401 1 20 . 1 1 72 72 MET HA H 72 4.800 4.800 5.202 -0.402 18364 11402 1 20 . 1 1 72 72 MET CA C 72 53.108 53.108 54.500 -1.392 18364 11403 1 20 . 1 1 72 72 MET CB C 72 35.826 35.826 36.804 -0.978 18364 11404 1 20 . 1 1 72 72 MET H H 72 8.162 8.162 8.472 -0.310 18364 11405 1 20 . 1 1 73 73 THR N N 73 117.278 117.278 114.183 3.095 18364 11406 1 20 . 1 1 73 73 THR HA H 73 5.018 5.018 5.326 -0.308 18364 11407 1 20 . 1 1 73 73 THR CA C 73 58.316 58.316 60.703 -2.387 18364 11408 1 20 . 1 1 73 73 THR CB C 73 69.118 69.118 71.479 -2.361 18364 11409 1 20 . 1 1 73 73 THR H H 73 9.220 9.220 8.704 0.516 18364 11410 1 20 . 1 1 74 74 CYS N N 74 124.101 124.101 123.533 0.568 18364 11411 1 20 . 1 1 74 74 CYS HA H 74 5.076 5.076 5.261 -0.185 18364 11412 1 20 . 1 1 74 74 CYS CA C 74 54.219 54.219 57.833 -3.614 18364 11413 1 20 . 1 1 74 74 CYS CB C 74 27.012 27.012 28.184 -1.172 18364 11414 1 20 . 1 1 74 74 CYS H H 74 8.958 8.958 8.340 0.618 18364 11415 1 20 . 1 1 75 75 ALA N N 75 132.901 132.901 125.105 7.796 18364 11416 1 20 . 1 1 75 75 ALA HA H 75 4.975 4.975 4.503 0.472 18364 11417 1 20 . 1 1 75 75 ALA CA C 75 47.826 47.826 51.579 -3.753 18364 11418 1 20 . 1 1 75 75 ALA CB C 75 18.111 18.111 19.943 -1.832 18364 11419 1 20 . 1 1 75 75 ALA H H 75 8.834 8.834 8.220 0.614 18364 11420 1 20 . 1 1 76 76 GLY N N 76 110.691 110.691 109.014 1.677 18364 11421 1 20 . 1 1 76 76 GLY CA C 76 41.784 41.784 44.326 -2.542 18364 11422 1 20 . 1 1 76 76 GLY H H 76 8.265 8.265 8.012 0.253 18364 11423 1 20 . 1 1 77 77 SER N N 77 115.145 115.145 113.673 1.472 18364 11424 1 20 . 1 1 77 77 SER HA H 77 4.980 4.980 5.406 -0.426 18364 11425 1 20 . 1 1 77 77 SER CA C 77 54.022 54.022 56.418 -2.396 18364 11426 1 20 . 1 1 77 77 SER CB C 77 62.987 62.987 67.175 -4.188 18364 11427 1 20 . 1 1 77 77 SER H H 77 8.723 8.723 9.032 -0.309 18364 11428 1 20 . 1 1 78 78 VAL N N 78 124.775 124.775 119.025 5.750 18364 11429 1 20 . 1 1 78 78 VAL HA H 78 4.634 4.634 5.132 -0.498 18364 11430 1 20 . 1 1 78 78 VAL CA C 78 58.437 58.437 59.772 -1.335 18364 11431 1 20 . 1 1 78 78 VAL CB C 78 32.177 32.177 34.958 -2.781 18364 11432 1 20 . 1 1 78 78 VAL H H 78 8.963 8.963 8.719 0.244 18364 11433 1 20 . 1 1 79 79 SER N N 79 118.951 118.951 121.033 -2.082 18364 11434 1 20 . 1 1 79 79 SER HA H 79 5.619 5.619 5.409 0.210 18364 11435 1 20 . 1 1 79 79 SER CA C 79 53.011 53.011 57.105 -4.094 18364 11436 1 20 . 1 1 79 79 SER CB C 79 64.197 64.197 66.734 -2.537 18364 11437 1 20 . 1 1 79 79 SER H H 79 8.661 8.661 8.639 0.022 18364 11438 1 20 . 1 1 80 80 SER N N 80 114.750 114.750 115.181 -0.431 18364 11439 1 20 . 1 1 80 80 SER HA H 80 4.439 4.439 4.956 -0.517 18364 11440 1 20 . 1 1 80 80 SER CA C 80 56.198 56.198 57.350 -1.152 18364 11441 1 20 . 1 1 80 80 SER CB C 80 63.490 63.490 66.004 -2.514 18364 11442 1 20 . 1 1 80 80 SER H H 80 8.563 8.563 8.771 -0.208 18364 11443 1 20 . 1 1 81 81 ILE N N 81 120.003 120.003 114.985 5.018 18364 11444 1 20 . 1 1 81 81 ILE HA H 81 4.576 4.576 4.528 0.048 18364 11445 1 20 . 1 1 81 81 ILE CA C 81 57.951 57.951 60.473 -2.522 18364 11446 1 20 . 1 1 81 81 ILE CB C 81 36.011 36.011 38.386 -2.375 18364 11447 1 20 . 1 1 81 81 ILE H H 81 8.366 8.366 8.466 -0.100 18364 11448 1 20 . 1 1 82 82 SER N N 82 119.139 119.139 117.179 1.960 18364 11449 1 20 . 1 1 82 82 SER HA H 82 4.158 4.158 4.463 -0.305 18364 11450 1 20 . 1 1 82 82 SER CA C 82 56.910 56.910 57.909 -0.999 18364 11451 1 20 . 1 1 82 82 SER CB C 82 62.055 62.055 64.187 -2.132 18364 11452 1 20 . 1 1 82 82 SER H H 82 8.204 8.204 8.039 0.165 18364 11453 1 20 . 1 1 83 83 GLU N N 83 118.350 118.350 119.897 -1.547 18364 11454 1 20 . 1 1 83 83 GLU HA H 83 4.133 4.133 4.427 -0.294 18364 11455 1 20 . 1 1 83 83 GLU CA C 83 53.267 53.267 55.796 -2.529 18364 11456 1 20 . 1 1 83 83 GLU CB C 83 27.763 27.763 30.130 -2.367 18364 11457 1 20 . 1 1 83 83 GLU H H 83 8.381 8.381 8.477 -0.096 18364 11458 1 20 . 1 1 84 84 ALA N N 84 121.665 121.665 122.255 -0.590 18364 11459 1 20 . 1 1 84 84 ALA HA H 84 3.542 3.542 4.108 -0.566 18364 11460 1 20 . 1 1 84 84 ALA CA C 84 50.621 50.621 53.671 -3.050 18364 11461 1 20 . 1 1 84 84 ALA CB C 84 16.540 16.540 19.147 -2.607 18364 11462 1 20 . 1 1 84 84 ALA H H 84 8.482 8.482 8.388 0.094 18364 11463 1 20 . 1 1 85 85 GLY N N 85 108.356 108.356 108.552 -0.196 18364 11464 1 20 . 1 1 85 85 GLY CA C 85 42.955 42.955 45.425 -2.470 18364 11465 1 20 . 1 1 85 85 GLY H H 85 8.078 8.078 8.792 -0.714 18364 11466 1 20 . 1 1 86 86 LYS N N 86 121.491 121.491 120.617 0.874 18364 11467 1 20 . 1 1 86 86 LYS HA H 86 4.638 4.638 4.640 -0.002 18364 11468 1 20 . 1 1 86 86 LYS CA C 86 51.073 51.073 56.111 -5.038 18364 11469 1 20 . 1 1 86 86 LYS CB C 86 29.750 29.750 33.210 -3.460 18364 11470 1 20 . 1 1 86 86 LYS H H 86 8.225 8.225 7.986 0.239 18364 11471 1 20 . 1 1 87 87 ARG N N 87 121.874 121.874 115.826 6.048 18364 11472 1 20 . 1 1 87 87 ARG HA H 87 5.673 5.673 5.196 0.477 18364 11473 1 20 . 1 1 87 87 ARG CA C 87 52.139 52.139 54.839 -2.700 18364 11474 1 20 . 1 1 87 87 ARG CB C 87 32.163 32.163 34.121 -1.958 18364 11475 1 20 . 1 1 87 87 ARG H H 87 9.979 9.979 8.648 1.331 18364 11476 1 20 . 1 1 88 88 LEU N N 88 125.264 125.264 121.360 3.904 18364 11477 1 20 . 1 1 88 88 LEU HA H 88 4.562 4.562 4.862 -0.300 18364 11478 1 20 . 1 1 88 88 LEU CA C 88 50.284 50.284 55.416 -5.132 18364 11479 1 20 . 1 1 88 88 LEU CB C 88 42.309 42.309 46.656 -4.347 18364 11480 1 20 . 1 1 88 88 LEU H H 88 8.756 8.756 8.789 -0.033 18364 11481 1 20 . 1 1 89 89 HIS N N 89 125.453 125.453 126.657 -1.204 18364 11482 1 20 . 1 1 89 89 HIS HA H 89 5.188 5.188 5.312 -0.124 18364 11483 1 20 . 1 1 89 89 HIS CA C 89 51.389 51.389 54.016 -2.627 18364 11484 1 20 . 1 1 89 89 HIS CB C 89 27.731 27.731 32.644 -4.913 18364 11485 1 20 . 1 1 89 89 HIS H H 89 8.910 8.910 9.115 -0.205 18364 11486 1 20 . 1 1 90 90 ILE N N 90 126.486 126.486 128.625 -2.139 18364 11487 1 20 . 1 1 90 90 ILE HA H 90 5.020 5.020 4.819 0.201 18364 11488 1 20 . 1 1 90 90 ILE CA C 90 55.642 55.642 59.412 -3.770 18364 11489 1 20 . 1 1 90 90 ILE CB C 90 38.696 38.696 39.978 -1.282 18364 11490 1 20 . 1 1 90 90 ILE H H 90 8.689 8.689 8.506 0.183 18364 11491 1 20 . 1 1 91 91 THR N N 91 123.200 123.200 123.379 -0.179 18364 11492 1 20 . 1 1 91 91 THR HA H 91 5.017 5.017 4.630 0.387 18364 11493 1 20 . 1 1 91 91 THR CA C 91 58.555 58.555 61.817 -3.262 18364 11494 1 20 . 1 1 91 91 THR CB C 91 68.702 68.702 70.194 -1.492 18364 11495 1 20 . 1 1 91 91 THR H H 91 8.636 8.636 8.426 0.210 18364 11496 1 20 . 1 1 92 92 VAL N N 92 127.071 127.071 122.217 4.854 18364 11497 1 20 . 1 1 92 92 VAL HA H 92 5.018 5.018 4.714 0.304 18364 11498 1 20 . 1 1 92 92 VAL CA C 92 57.969 57.969 61.159 -3.190 18364 11499 1 20 . 1 1 92 92 VAL CB C 92 31.323 31.323 33.505 -2.182 18364 11500 1 20 . 1 1 92 92 VAL H H 92 9.162 9.162 8.603 0.559 18364 11501 1 20 . 1 1 93 93 ILE N N 93 127.095 127.095 125.093 2.002 18364 11502 1 20 . 1 1 93 93 ILE HA H 93 4.461 4.461 4.917 -0.456 18364 11503 1 20 . 1 1 93 93 ILE CA C 93 57.972 57.972 59.548 -1.576 18364 11504 1 20 . 1 1 93 93 ILE CB C 93 38.929 38.929 42.073 -3.144 18364 11505 1 20 . 1 1 93 93 ILE H H 93 9.313 9.313 8.813 0.500 18364 11506 1 20 . 1 1 94 94 GLY N N 94 111.893 111.893 111.232 0.661 18364 11507 1 20 . 1 1 94 94 GLY CA C 94 41.781 41.781 44.031 -2.250 18364 11508 1 20 . 1 1 94 94 GLY H H 94 8.577 8.577 8.365 0.212 18364 11509 1 20 . 1 1 95 95 TYR N N 95 123.099 123.099 117.935 5.164 18364 11510 1 20 . 1 1 95 95 TYR HA H 95 5.399 5.399 5.538 -0.139 18364 11511 1 20 . 1 1 95 95 TYR CA C 95 54.052 54.052 56.620 -2.568 18364 11512 1 20 . 1 1 95 95 TYR CB C 95 41.285 41.285 43.988 -2.703 18364 11513 1 20 . 1 1 95 95 TYR H H 95 9.640 9.640 9.236 0.404 18364 11514 1 20 . 1 1 96 96 ILE N N 96 116.705 116.705 120.980 -4.275 18364 11515 1 20 . 1 1 96 96 ILE HA H 96 4.208 4.208 4.222 -0.014 18364 11516 1 20 . 1 1 96 96 ILE CA C 96 58.977 58.977 60.934 -1.957 18364 11517 1 20 . 1 1 96 96 ILE CB C 96 37.245 37.245 39.017 -1.772 18364 11518 1 20 . 1 1 96 96 ILE H H 96 8.270 8.270 8.497 -0.227 18364 11519 1 20 . 1 1 97 97 ASP N N 97 130.442 130.442 127.273 3.169 18364 11520 1 20 . 1 1 97 97 ASP HA H 97 4.165 4.165 4.314 -0.149 18364 11521 1 20 . 1 1 97 97 ASP CA C 97 53.736 53.736 57.873 -4.138 18364 11522 1 20 . 1 1 97 97 ASP CB C 97 36.870 36.870 40.438 -3.568 18364 11523 1 20 . 1 1 97 97 ASP H H 97 9.849 9.849 9.043 0.806 18364 11524 1 20 . 1 1 98 98 ASP N N 98 114.957 114.957 117.474 -2.517 18364 11525 1 20 . 1 1 98 98 ASP HA H 98 4.694 4.694 4.753 -0.059 18364 11526 1 20 . 1 1 98 98 ASP CB C 98 36.266 36.266 42.895 -6.629 18364 11527 1 20 . 1 1 98 98 ASP H H 98 8.355 8.355 8.415 -0.060 18364 11528 1 20 . 1 1 99 99 LYS N N 99 121.680 121.680 120.477 1.203 18364 11529 1 20 . 1 1 99 99 LYS HA H 99 4.590 4.590 4.607 -0.017 18364 11530 1 20 . 1 1 99 99 LYS CA C 99 52.354 52.354 55.091 -2.737 18364 11531 1 20 . 1 1 99 99 LYS CB C 99 30.958 30.958 34.291 -3.333 18364 11532 1 20 . 1 1 99 99 LYS H H 99 8.049 8.049 8.033 0.016 18364 11533 1 20 . 1 1 100 100 GLU N N 100 127.574 127.574 125.506 2.068 18364 11534 1 20 . 1 1 100 100 GLU HA H 100 3.804 3.804 3.937 -0.133 18364 11535 1 20 . 1 1 100 100 GLU CA C 100 54.562 54.562 57.928 -3.366 18364 11536 1 20 . 1 1 100 100 GLU CB C 100 26.808 26.808 29.574 -2.766 18364 11537 1 20 . 1 1 100 100 GLU H H 100 8.839 8.839 8.791 0.048 18364 11538 1 20 . 1 1 101 101 VAL N N 101 120.606 120.606 126.379 -5.773 18364 11539 1 20 . 1 1 101 101 VAL HA H 101 4.534 4.534 4.291 0.243 18364 11540 1 20 . 1 1 101 101 VAL CA C 101 58.379 58.379 60.787 -2.408 18364 11541 1 20 . 1 1 101 101 VAL CB C 101 31.223 31.223 33.496 -2.273 18364 11542 1 20 . 1 1 101 101 VAL H H 101 8.997 8.997 8.341 0.656 18364 11543 1 20 . 1 1 102 102 ASN N N 102 118.568 118.568 118.334 0.234 18364 11544 1 20 . 1 1 102 102 ASN HA H 102 4.782 4.782 4.846 -0.064 18364 11545 1 20 . 1 1 102 102 ASN CA C 102 50.154 50.154 53.738 -3.584 18364 11546 1 20 . 1 1 102 102 ASN CB C 102 38.848 38.848 41.625 -2.777 18364 11547 1 20 . 1 1 102 102 ASN H H 102 7.598 7.598 7.503 0.095 18364 11548 1 20 . 1 1 103 103 ARG N N 103 120.366 120.366 124.743 -4.377 18364 11549 1 20 . 1 1 103 103 ARG HA H 103 5.051 5.051 4.925 0.126 18364 11550 1 20 . 1 1 103 103 ARG CA C 103 52.900 52.900 56.041 -3.141 18364 11551 1 20 . 1 1 103 103 ARG CB C 103 31.710 31.710 31.641 0.069 18364 11552 1 20 . 1 1 103 103 ARG H H 103 8.155 8.155 8.499 -0.344 18364 11553 1 20 . 1 1 104 104 LEU N N 104 128.859 128.859 123.154 5.705 18364 11554 1 20 . 1 1 104 104 LEU HA H 104 4.553 4.553 5.050 -0.497 18364 11555 1 20 . 1 1 104 104 LEU CA C 104 51.272 51.272 53.694 -2.422 18364 11556 1 20 . 1 1 104 104 LEU CB C 104 43.549 43.549 45.956 -2.407 18364 11557 1 20 . 1 1 104 104 LEU H H 104 9.271 9.271 8.775 0.496 18364 11558 1 20 . 1 1 105 105 GLU N N 105 125.663 125.663 117.795 7.868 18364 11559 1 20 . 1 1 105 105 GLU HA H 105 5.179 5.179 5.026 0.153 18364 11560 1 20 . 1 1 105 105 GLU CA C 105 51.966 51.966 55.294 -3.328 18364 11561 1 20 . 1 1 105 105 GLU CB C 105 29.358 29.358 33.487 -4.129 18364 11562 1 20 . 1 1 105 105 GLU H H 105 8.346 8.346 8.363 -0.017 18364 11563 1 20 . 1 1 106 106 LYS N N 106 123.659 123.659 119.400 4.259 18364 11564 1 20 . 1 1 106 106 LYS HA H 106 4.281 4.281 4.372 -0.091 18364 11565 1 20 . 1 1 106 106 LYS CA C 106 51.118 51.118 54.971 -3.853 18364 11566 1 20 . 1 1 106 106 LYS CB C 106 34.761 34.761 36.268 -1.507 18364 11567 1 20 . 1 1 106 106 LYS H H 106 8.526 8.526 8.274 0.252 18364 11568 1 20 . 1 1 107 107 GLU N N 107 121.917 121.917 122.181 -0.264 18364 11569 1 20 . 1 1 107 107 GLU HA H 107 4.949 4.949 5.136 -0.187 18364 11570 1 20 . 1 1 107 107 GLU CA C 107 51.404 51.404 54.320 -2.916 18364 11571 1 20 . 1 1 107 107 GLU CB C 107 29.906 29.906 32.196 -2.289 18364 11572 1 20 . 1 1 107 107 GLU H H 107 7.773 7.773 8.029 -0.256 18364 11573 1 20 . 1 1 108 108 TYR N N 108 124.981 124.981 123.095 1.886 18364 11574 1 20 . 1 1 108 108 TYR HA H 108 4.720 4.720 4.760 -0.040 18364 11575 1 20 . 1 1 108 108 TYR CA C 108 54.188 54.188 56.715 -2.526 18364 11576 1 20 . 1 1 108 108 TYR CB C 108 39.101 39.101 42.001 -2.900 18364 11577 1 20 . 1 1 108 108 TYR H H 108 9.031 9.031 8.928 0.103 18364 11578 1 20 . 1 1 109 109 ILE N N 109 121.680 121.680 119.578 2.102 18364 11579 1 20 . 1 1 109 109 ILE HA H 109 5.471 5.471 4.659 0.812 18364 11580 1 20 . 1 1 109 109 ILE CA C 109 56.592 56.592 60.052 -3.460 18364 11581 1 20 . 1 1 109 109 ILE CB C 109 38.728 38.728 42.911 -4.183 18364 11582 1 20 . 1 1 109 109 ILE H H 109 8.475 8.475 8.462 0.013 18364 11583 1 20 . 1 1 110 110 THR N N 110 117.537 117.537 114.662 2.875 18364 11584 1 20 . 1 1 110 110 THR HA H 110 4.521 4.521 4.652 -0.131 18364 11585 1 20 . 1 1 110 110 THR CA C 110 59.337 59.337 60.799 -1.462 18364 11586 1 20 . 1 1 110 110 THR CB C 110 67.143 67.143 70.820 -3.677 18364 11587 1 20 . 1 1 110 110 THR H H 110 9.180 9.180 8.195 0.985 18364 11588 1 20 . 1 1 111 111 ASP N N 111 122.428 122.428 125.371 -2.943 18364 11589 1 20 . 1 1 111 111 ASP HA H 111 4.721 4.721 4.716 0.005 18364 11590 1 20 . 1 1 111 111 ASP CA C 111 50.135 50.135 54.411 -4.276 18364 11591 1 20 . 1 1 111 111 ASP CB C 111 39.613 39.613 41.774 -2.161 18364 11592 1 20 . 1 1 111 111 ASP H H 111 9.342 9.342 8.920 0.422 18364 11593 1 20 . 1 1 112 112 GLY N N 112 110.714 110.714 108.502 2.212 18364 11594 1 20 . 1 1 112 112 GLY CA C 112 43.084 43.084 44.876 -1.792 18364 11595 1 20 . 1 1 112 112 GLY H H 112 8.333 8.333 8.557 -0.224 18364 11596 1 20 . 1 1 113 113 ASN N N 113 119.462 119.462 119.056 0.406 18364 11597 1 20 . 1 1 113 113 ASN HA H 113 4.926 4.926 4.824 0.102 18364 11598 1 20 . 1 1 113 113 ASN CA C 113 49.373 49.373 52.928 -3.554 18364 11599 1 20 . 1 1 113 113 ASN CB C 113 37.377 37.377 38.886 -1.509 18364 11600 1 20 . 1 1 113 113 ASN H H 113 8.210 8.210 8.050 0.160 18364 11601 1 20 . 1 1 114 114 THR N N 114 117.962 117.962 113.524 4.438 18364 11602 1 20 . 1 1 114 114 THR HA H 114 4.136 4.136 4.245 -0.109 18364 11603 1 20 . 1 1 114 114 THR CA C 114 62.066 62.066 62.621 -0.555 18364 11604 1 20 . 1 1 114 114 THR CB C 114 66.489 66.489 68.764 -2.275 18364 11605 1 20 . 1 1 114 114 THR H H 114 8.436 8.436 8.357 0.079 18364 11606 1 20 . 1 1 115 115 LEU N N 115 132.998 132.998 128.585 4.413 18364 11607 1 20 . 1 1 115 115 LEU HA H 115 4.607 4.607 4.398 0.209 18364 11608 1 20 . 1 1 115 115 LEU CA C 115 52.335 52.335 55.596 -3.261 18364 11609 1 20 . 1 1 115 115 LEU CB C 115 41.546 41.546 42.910 -1.364 18364 11610 1 20 . 1 1 115 115 LEU H H 115 8.789 8.789 7.886 0.903 18364 11611 1 20 . 1 1 116 116 ILE N N 116 126.586 126.586 123.551 3.035 18364 11612 1 20 . 1 1 116 116 ILE HA H 116 4.784 4.784 4.824 -0.040 18364 11613 1 20 . 1 1 116 116 ILE CA C 116 58.270 58.270 60.188 -1.918 18364 11614 1 20 . 1 1 116 116 ILE CB C 116 37.909 37.909 41.823 -3.914 18364 11615 1 20 . 1 1 116 116 ILE H H 116 8.637 8.637 8.116 0.521 18364 11616 1 20 . 1 1 117 117 GLU N N 117 127.084 127.084 125.192 1.892 18364 11617 1 20 . 1 1 117 117 GLU HA H 117 4.830 4.830 4.879 -0.049 18364 11618 1 20 . 1 1 117 117 GLU CA C 117 51.847 51.847 54.597 -2.750 18364 11619 1 20 . 1 1 117 117 GLU CB C 117 32.299 32.299 34.806 -2.507 18364 11620 1 20 . 1 1 117 117 GLU H H 117 8.933 8.933 8.777 0.156 18364 11621 1 20 . 1 1 118 118 THR N N 118 110.826 110.826 110.901 -0.075 18364 11622 1 20 . 1 1 118 118 THR HA H 118 5.190 5.190 5.225 -0.035 18364 11623 1 20 . 1 1 118 118 THR CA C 118 57.036 57.036 60.232 -3.196 18364 11624 1 20 . 1 1 118 118 THR CB C 118 69.888 69.888 71.481 -1.593 18364 11625 1 20 . 1 1 118 118 THR H H 118 8.664 8.664 8.424 0.240 18364 11626 1 20 . 1 1 119 119 PHE N N 119 115.915 115.915 116.359 -0.444 18364 11627 1 20 . 1 1 119 119 PHE HA H 119 4.999 4.999 5.091 -0.092 18364 11628 1 20 . 1 1 119 119 PHE CA C 119 53.804 53.804 56.535 -2.731 18364 11629 1 20 . 1 1 119 119 PHE CB C 119 39.787 39.787 41.085 -1.298 18364 11630 1 20 . 1 1 119 119 PHE H H 119 8.087 8.087 8.517 -0.430 18364 11631 1 20 . 1 1 120 120 SER N N 120 114.953 114.953 115.754 -0.801 18364 11632 1 20 . 1 1 120 120 SER HA H 120 5.383 5.383 4.944 0.439 18364 11633 1 20 . 1 1 120 120 SER CA C 120 55.192 55.192 57.740 -2.549 18364 11634 1 20 . 1 1 120 120 SER CB C 120 62.113 62.113 65.183 -3.070 18364 11635 1 20 . 1 1 120 120 SER H H 120 8.627 8.627 8.579 0.048 18364 11636 1 20 . 1 1 121 121 VAL N N 121 124.122 124.122 124.603 -0.481 18364 11637 1 20 . 1 1 121 121 VAL HA H 121 4.349 4.349 4.418 -0.069 18364 11638 1 20 . 1 1 121 121 VAL CA C 121 59.005 59.005 61.789 -2.784 18364 11639 1 20 . 1 1 121 121 VAL CB C 121 34.127 34.127 33.297 0.830 18364 11640 1 20 . 1 1 121 121 VAL H H 121 8.866 8.866 8.839 0.027 18364 11641 1 20 . 1 1 122 122 SER N N 122 119.703 119.703 122.261 -2.558 18364 11642 1 20 . 1 1 122 122 SER HA H 122 5.598 5.598 5.032 0.566 18364 11643 1 20 . 1 1 122 122 SER CA C 122 53.065 53.065 58.933 -5.868 18364 11644 1 20 . 1 1 122 122 SER CB C 122 63.442 63.442 64.527 -1.085 18364 11645 1 20 . 1 1 122 122 SER H H 122 8.334 8.334 8.712 -0.378 18364 11646 1 20 . 1 1 123 123 THR N N 123 113.276 113.276 111.218 2.058 18364 11647 1 20 . 1 1 123 123 THR HA H 123 4.093 4.093 4.786 -0.693 18364 11648 1 20 . 1 1 123 123 THR CA C 123 60.143 60.143 61.628 -1.485 18364 11649 1 20 . 1 1 123 123 THR CB C 123 64.437 64.437 68.588 -4.151 18364 11650 1 20 . 1 1 123 123 THR H H 123 8.898 8.898 8.821 0.077 18364 11651 1 20 . 1 1 124 124 LYS N N 124 119.191 119.191 119.930 -0.739 18364 11652 1 20 . 1 1 124 124 LYS HA H 124 4.324 4.324 4.718 -0.394 18364 11653 1 20 . 1 1 124 124 LYS CA C 124 53.486 53.486 55.918 -2.432 18364 11654 1 20 . 1 1 124 124 LYS CB C 124 32.376 32.376 33.023 -0.647 18364 11655 1 20 . 1 1 124 124 LYS H H 124 7.569 7.569 7.884 -0.315 18364 11656 1 20 . 1 1 125 125 GLU N N 125 124.243 124.243 121.550 2.693 18364 11657 1 20 . 1 1 125 125 GLU HA H 125 4.255 4.255 4.596 -0.341 18364 11658 1 20 . 1 1 125 125 GLU CA C 125 53.830 53.830 55.962 -2.132 18364 11659 1 20 . 1 1 125 125 GLU CB C 125 27.674 27.674 31.420 -3.746 18364 11660 1 20 . 1 1 125 125 GLU H H 125 8.359 8.359 8.099 0.260 18364 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 121 2.912 -0.561 2.869 18364 2 1 1 "Average Difference" HA 109 0.309 0.065 0.303 18364 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18364 4 1 1 "Average Difference" CA 122 2.844 2.682 0.947 18364 5 1 1 "Average Difference" CB 110 3.068 2.774 1.316 18364 6 1 1 "Average Difference" HN 121 0.521 -0.044 0.521 18364 7 1 2 "Average Difference" N 121 3.204 -0.712 3.137 18364 8 1 2 "Average Difference" HA 109 0.343 0.032 0.343 18364 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18364 10 1 2 "Average Difference" CA 122 2.791 2.572 1.086 18364 11 1 2 "Average Difference" CB 110 2.938 2.642 1.292 18364 12 1 2 "Average Difference" HN 121 0.567 -0.120 0.557 18364 13 1 3 "Average Difference" N 121 3.075 -0.433 3.057 18364 14 1 3 "Average Difference" HA 109 0.350 0.046 0.349 18364 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18364 16 1 3 "Average Difference" CA 122 2.773 2.565 1.058 18364 17 1 3 "Average Difference" CB 110 2.983 2.700 1.273 18364 18 1 3 "Average Difference" HN 121 0.504 -0.100 0.496 18364 19 1 4 "Average Difference" N 121 3.331 -0.634 3.284 18364 20 1 4 "Average Difference" HA 109 0.354 0.055 0.352 18364 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18364 22 1 4 "Average Difference" CA 122 2.830 2.651 0.994 18364 23 1 4 "Average Difference" CB 110 2.923 2.578 1.383 18364 24 1 4 "Average Difference" HN 121 0.527 -0.068 0.525 18364 25 1 5 "Average Difference" N 121 3.324 -0.575 3.288 18364 26 1 5 "Average Difference" HA 109 0.340 0.004 0.342 18364 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18364 28 1 5 "Average Difference" CA 122 2.926 2.711 1.105 18364 29 1 5 "Average Difference" CB 110 2.928 2.601 1.350 18364 30 1 5 "Average Difference" HN 121 0.503 -0.103 0.494 18364 31 1 6 "Average Difference" N 121 2.954 -0.311 2.949 18364 32 1 6 "Average Difference" HA 109 0.351 0.025 0.352 18364 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18364 34 1 6 "Average Difference" CA 122 2.833 2.636 1.042 18364 35 1 6 "Average Difference" CB 110 2.905 2.551 1.395 18364 36 1 6 "Average Difference" HN 121 0.492 -0.098 0.484 18364 37 1 7 "Average Difference" N 121 3.180 -0.606 3.134 18364 38 1 7 "Average Difference" HA 109 0.365 0.028 0.365 18364 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18364 40 1 7 "Average Difference" CA 122 2.857 2.685 0.980 18364 41 1 7 "Average Difference" CB 110 3.081 2.765 1.366 18364 42 1 7 "Average Difference" HN 121 0.564 -0.087 0.560 18364 43 1 8 "Average Difference" N 121 3.285 -0.553 3.252 18364 44 1 8 "Average Difference" HA 109 0.350 0.062 0.346 18364 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18364 46 1 8 "Average Difference" CA 122 2.842 2.622 1.100 18364 47 1 8 "Average Difference" CB 110 2.960 2.631 1.362 18364 48 1 8 "Average Difference" HN 121 0.531 -0.073 0.528 18364 49 1 9 "Average Difference" N 121 3.070 -0.475 3.045 18364 50 1 9 "Average Difference" HA 109 0.345 0.035 0.344 18364 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18364 52 1 9 "Average Difference" CA 122 2.899 2.686 1.097 18364 53 1 9 "Average Difference" CB 110 2.893 2.563 1.348 18364 54 1 9 "Average Difference" HN 121 0.510 -0.073 0.507 18364 55 1 10 "Average Difference" N 121 3.056 -0.465 3.033 18364 56 1 10 "Average Difference" HA 109 0.302 0.041 0.300 18364 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18364 58 1 10 "Average Difference" CA 122 2.768 2.604 0.943 18364 59 1 10 "Average Difference" CB 110 2.876 2.559 1.319 18364 60 1 10 "Average Difference" HN 121 0.467 -0.075 0.463 18364 61 1 11 "Average Difference" N 121 3.549 -1.015 3.415 18364 62 1 11 "Average Difference" HA 109 0.360 0.020 0.361 18364 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18364 64 1 11 "Average Difference" CA 122 2.915 2.720 1.053 18364 65 1 11 "Average Difference" CB 110 3.051 2.690 1.445 18364 66 1 11 "Average Difference" HN 121 0.560 -0.114 0.551 18364 67 1 12 "Average Difference" N 121 3.090 -0.513 3.060 18364 68 1 12 "Average Difference" HA 109 0.368 0.013 0.370 18364 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18364 70 1 12 "Average Difference" CA 122 2.885 2.705 1.005 18364 71 1 12 "Average Difference" CB 110 2.828 2.509 1.311 18364 72 1 12 "Average Difference" HN 121 0.576 -0.093 0.571 18364 73 1 13 "Average Difference" N 121 3.507 -0.762 3.437 18364 74 1 13 "Average Difference" HA 109 0.364 0.057 0.361 18364 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18364 76 1 13 "Average Difference" CA 122 2.817 2.642 0.983 18364 77 1 13 "Average Difference" CB 110 2.994 2.682 1.336 18364 78 1 13 "Average Difference" HN 121 0.553 -0.085 0.549 18364 79 1 14 "Average Difference" N 121 3.334 -0.547 3.303 18364 80 1 14 "Average Difference" HA 109 0.336 0.039 0.335 18364 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18364 82 1 14 "Average Difference" CA 122 2.839 2.646 1.031 18364 83 1 14 "Average Difference" CB 110 2.907 2.547 1.408 18364 84 1 14 "Average Difference" HN 121 0.563 -0.091 0.557 18364 85 1 15 "Average Difference" N 121 3.257 -0.585 3.217 18364 86 1 15 "Average Difference" HA 109 0.345 0.037 0.345 18364 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18364 88 1 15 "Average Difference" CA 122 2.848 2.666 1.004 18364 89 1 15 "Average Difference" CB 110 3.031 2.724 1.336 18364 90 1 15 "Average Difference" HN 121 0.555 -0.085 0.551 18364 91 1 16 "Average Difference" N 121 3.327 -0.648 3.277 18364 92 1 16 "Average Difference" HA 109 0.332 0.012 0.333 18364 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18364 94 1 16 "Average Difference" CA 122 2.929 2.749 1.013 18364 95 1 16 "Average Difference" CB 110 2.941 2.643 1.295 18364 96 1 16 "Average Difference" HN 121 0.543 -0.105 0.535 18364 97 1 17 "Average Difference" N 121 3.065 -0.524 3.032 18364 98 1 17 "Average Difference" HA 109 0.339 0.047 0.337 18364 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18364 100 1 17 "Average Difference" CA 122 2.800 2.608 1.022 18364 101 1 17 "Average Difference" CB 110 2.878 2.556 1.328 18364 102 1 17 "Average Difference" HN 121 0.516 -0.100 0.508 18364 103 1 18 "Average Difference" N 121 3.059 -0.425 3.042 18364 104 1 18 "Average Difference" HA 109 0.346 0.039 0.345 18364 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18364 106 1 18 "Average Difference" CA 122 2.905 2.703 1.071 18364 107 1 18 "Average Difference" CB 110 2.927 2.578 1.392 18364 108 1 18 "Average Difference" HN 121 0.559 -0.098 0.553 18364 109 1 19 "Average Difference" N 121 3.065 -0.394 3.053 18364 110 1 19 "Average Difference" HA 109 0.340 0.019 0.341 18364 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18364 112 1 19 "Average Difference" CA 122 2.845 2.675 0.973 18364 113 1 19 "Average Difference" CB 110 2.936 2.619 1.334 18364 114 1 19 "Average Difference" HN 121 0.534 -0.081 0.530 18364 115 1 20 "Average Difference" N 121 3.419 -0.577 3.384 18364 116 1 20 "Average Difference" HA 109 0.343 0.039 0.342 18364 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18364 118 1 20 "Average Difference" CA 122 2.874 2.675 1.056 18364 119 1 20 "Average Difference" CB 110 2.833 2.525 1.289 18364 120 1 20 "Average Difference" HN 121 0.514 -0.088 0.508 18364 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 18364 _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 ALA CA C 2 50.698 50.698 52.177 -1.479 18364 2 1 . 1 1 2 2 ALA CB C 2 16.688 16.688 19.722 -3.034 18364 3 1 . 1 1 3 3 SER N N 3 113.663 113.663 115.753 -2.090 18364 4 1 . 1 1 3 3 SER HA H 3 4.296 4.296 4.579 -0.283 18364 5 1 . 1 1 3 3 SER CA C 3 55.573 55.573 57.866 -2.293 18364 6 1 . 1 1 3 3 SER CB C 3 60.888 60.888 64.501 -3.613 18364 7 1 . 1 1 3 3 SER H H 3 8.301 8.301 8.335 -0.034 18364 8 1 . 1 1 4 4 ASP N N 4 121.532 121.532 121.989 -0.457 18364 9 1 . 1 1 4 4 ASP HA H 4 4.394 4.394 4.670 -0.276 18364 10 1 . 1 1 4 4 ASP CA C 4 51.748 51.748 54.007 -2.259 18364 11 1 . 1 1 4 4 ASP CB C 4 38.614 38.614 40.949 -2.335 18364 12 1 . 1 1 4 4 ASP H H 4 7.874 7.874 8.196 -0.322 18364 13 1 . 1 1 5 5 PHE N N 5 119.126 119.126 121.465 -2.339 18364 14 1 . 1 1 5 5 PHE HA H 5 4.535 4.535 4.818 -0.283 18364 15 1 . 1 1 5 5 PHE CA C 5 54.589 54.589 57.370 -2.781 18364 16 1 . 1 1 5 5 PHE CB C 5 37.079 37.079 40.107 -3.028 18364 17 1 . 1 1 5 5 PHE H H 5 7.832 7.832 8.049 -0.217 18364 18 1 . 1 1 6 6 GLN N N 6 122.092 122.092 124.131 -2.039 18364 19 1 . 1 1 6 6 GLN HA H 6 4.417 4.417 4.729 -0.312 18364 20 1 . 1 1 6 6 GLN CA C 6 53.128 53.128 55.379 -2.251 18364 21 1 . 1 1 6 6 GLN CB C 6 27.477 27.477 30.469 -2.992 18364 22 1 . 1 1 6 6 GLN H H 6 8.447 8.447 8.620 -0.173 18364 23 1 . 1 1 7 7 THR N N 7 114.717 114.717 113.868 0.849 18364 24 1 . 1 1 7 7 THR HA H 7 5.035 5.035 4.658 0.377 18364 25 1 . 1 1 7 7 THR CA C 7 57.906 57.906 61.001 -3.095 18364 26 1 . 1 1 7 7 THR CB C 7 68.370 68.370 70.842 -2.472 18364 27 1 . 1 1 7 7 THR H H 7 8.145 8.145 8.169 -0.024 18364 28 1 . 1 1 8 8 GLY N N 8 111.628 111.628 109.247 2.381 18364 29 1 . 1 1 8 8 GLY CA C 8 43.774 43.774 45.437 -1.663 18364 30 1 . 1 1 8 8 GLY H H 8 9.234 9.234 8.378 0.856 18364 31 1 . 1 1 9 9 ILE N N 9 119.585 119.585 122.628 -3.043 18364 32 1 . 1 1 9 9 ILE HA H 9 3.934 3.934 4.504 -0.570 18364 33 1 . 1 1 9 9 ILE CA C 9 58.907 58.907 60.333 -1.426 18364 34 1 . 1 1 9 9 ILE CB C 9 35.738 35.738 39.767 -4.029 18364 35 1 . 1 1 9 9 ILE H H 9 8.603 8.603 8.139 0.464 18364 36 1 . 1 1 10 10 HIS N N 10 133.616 133.616 126.380 7.236 18364 37 1 . 1 1 10 10 HIS HA H 10 5.185 5.185 5.203 -0.018 18364 38 1 . 1 1 10 10 HIS CA C 10 53.587 53.587 55.646 -2.059 18364 39 1 . 1 1 10 10 HIS CB C 10 30.817 30.817 31.887 -1.070 18364 40 1 . 1 1 10 10 HIS H H 10 8.599 8.599 8.726 -0.127 18364 41 1 . 1 1 11 11 LYS N N 11 122.949 122.949 120.305 2.644 18364 42 1 . 1 1 11 11 LYS HA H 11 5.236 5.236 5.178 0.058 18364 43 1 . 1 1 11 11 LYS CA C 11 52.748 52.748 55.138 -2.391 18364 44 1 . 1 1 11 11 LYS CB C 11 35.137 35.137 36.587 -1.450 18364 45 1 . 1 1 11 11 LYS H H 11 8.775 8.775 8.711 0.064 18364 46 1 . 1 1 12 12 ILE N N 12 125.260 125.260 121.750 3.510 18364 47 1 . 1 1 12 12 ILE HA H 12 5.273 5.273 5.102 0.171 18364 48 1 . 1 1 12 12 ILE CA C 12 55.780 55.780 59.192 -3.412 18364 49 1 . 1 1 12 12 ILE CB C 12 38.767 38.767 42.197 -3.430 18364 50 1 . 1 1 12 12 ILE H H 12 8.578 8.578 8.953 -0.375 18364 51 1 . 1 1 13 13 VAL N N 13 126.515 126.515 124.533 1.982 18364 52 1 . 1 1 13 13 VAL HA H 13 4.795 4.795 4.819 -0.024 18364 53 1 . 1 1 13 13 VAL CA C 13 58.115 58.115 61.067 -2.952 18364 54 1 . 1 1 13 13 VAL CB C 13 32.948 32.948 34.967 -2.019 18364 55 1 . 1 1 13 13 VAL H H 13 9.052 9.052 8.923 0.129 18364 56 1 . 1 1 14 14 ILE N N 14 125.803 125.803 125.668 0.135 18364 57 1 . 1 1 14 14 ILE HA H 14 5.008 5.008 5.039 -0.031 18364 58 1 . 1 1 14 14 ILE CA C 14 57.539 57.539 59.867 -2.328 18364 59 1 . 1 1 14 14 ILE CB C 14 38.656 38.656 42.100 -3.444 18364 60 1 . 1 1 14 14 ILE H H 14 8.974 8.974 8.756 0.218 18364 61 1 . 1 1 15 15 GLN N N 15 125.773 125.773 121.716 4.057 18364 62 1 . 1 1 15 15 GLN HA H 15 5.433 5.433 5.156 0.277 18364 63 1 . 1 1 15 15 GLN CA C 15 51.002 51.002 54.324 -3.322 18364 64 1 . 1 1 15 15 GLN CB C 15 29.637 29.637 33.499 -3.862 18364 65 1 . 1 1 15 15 GLN H H 15 9.244 9.244 8.869 0.375 18364 66 1 . 1 1 16 16 GLN N N 16 119.832 119.832 118.312 1.520 18364 67 1 . 1 1 16 16 GLN HA H 16 5.741 5.741 5.376 0.365 18364 68 1 . 1 1 16 16 GLN CA C 16 50.572 50.572 54.361 -3.789 18364 69 1 . 1 1 16 16 GLN CB C 16 30.039 30.039 32.873 -2.834 18364 70 1 . 1 1 16 16 GLN H H 16 8.964 8.964 8.532 0.432 18364 71 1 . 1 1 17 17 SER N N 17 115.201 115.201 115.737 -0.536 18364 72 1 . 1 1 17 17 SER HA H 17 4.526 4.526 4.823 -0.297 18364 73 1 . 1 1 17 17 SER CA C 17 54.831 54.831 57.678 -2.847 18364 74 1 . 1 1 17 17 SER CB C 17 62.930 62.930 65.789 -2.859 18364 75 1 . 1 1 17 17 SER H H 17 8.770 8.770 8.553 0.216 18364 76 1 . 1 1 18 18 GLY N N 18 109.321 109.321 110.448 -1.127 18364 77 1 . 1 1 18 18 GLY CA C 18 41.737 41.737 44.980 -3.243 18364 78 1 . 1 1 18 18 GLY H H 18 8.798 8.798 8.312 0.486 18364 79 1 . 1 1 19 19 ASP N N 19 128.121 128.121 124.473 3.648 18364 80 1 . 1 1 19 19 ASP HA H 19 5.071 5.071 4.814 0.257 18364 81 1 . 1 1 19 19 ASP CA C 19 51.251 51.251 53.517 -2.266 18364 82 1 . 1 1 19 19 ASP CB C 19 37.872 37.872 40.189 -2.317 18364 83 1 . 1 1 19 19 ASP H H 19 9.708 9.708 8.387 1.321 18364 84 1 . 1 1 20 20 THR N N 20 111.610 111.610 114.142 -2.532 18364 85 1 . 1 1 20 20 THR HA H 20 3.615 3.615 4.055 -0.440 18364 86 1 . 1 1 20 20 THR CA C 20 63.331 63.331 63.188 0.143 18364 87 1 . 1 1 20 20 THR CB C 20 64.873 64.873 68.455 -3.582 18364 88 1 . 1 1 20 20 THR H H 20 8.136 8.136 8.125 0.011 18364 89 1 . 1 1 21 21 ASP N N 21 118.304 118.304 120.754 -2.450 18364 90 1 . 1 1 21 21 ASP HA H 21 4.639 4.639 4.791 -0.152 18364 91 1 . 1 1 21 21 ASP CA C 21 52.945 52.945 55.505 -2.560 18364 92 1 . 1 1 21 21 ASP CB C 21 37.785 37.785 41.807 -4.022 18364 93 1 . 1 1 21 21 ASP H H 21 8.566 8.566 8.222 0.344 18364 94 1 . 1 1 22 22 SER N N 22 114.253 114.253 114.393 -0.140 18364 95 1 . 1 1 22 22 SER HA H 22 4.384 4.384 4.660 -0.276 18364 96 1 . 1 1 22 22 SER CA C 22 57.170 57.170 58.344 -1.174 18364 97 1 . 1 1 22 22 SER CB C 22 61.441 61.441 64.217 -2.776 18364 98 1 . 1 1 22 22 SER H H 22 8.076 8.076 8.077 -0.001 18364 99 1 . 1 1 23 23 PHE N N 23 119.853 119.853 119.936 -0.083 18364 100 1 . 1 1 23 23 PHE HA H 23 5.010 5.010 5.219 -0.209 18364 101 1 . 1 1 23 23 PHE CA C 23 53.272 53.272 55.902 -2.629 18364 102 1 . 1 1 23 23 PHE CB C 23 42.021 42.021 41.775 0.246 18364 103 1 . 1 1 23 23 PHE H H 23 7.611 7.611 7.811 -0.200 18364 104 1 . 1 1 24 24 GLU N N 24 119.255 119.255 123.483 -4.228 18364 105 1 . 1 1 24 24 GLU HA H 24 4.571 4.571 4.489 0.082 18364 106 1 . 1 1 24 24 GLU CA C 24 52.642 52.642 55.359 -2.717 18364 107 1 . 1 1 24 24 GLU CB C 24 28.881 28.881 31.184 -2.303 18364 108 1 . 1 1 24 24 GLU H H 24 8.958 8.958 8.665 0.293 18364 109 1 . 1 1 25 25 VAL N N 25 130.637 130.637 125.166 5.471 18364 110 1 . 1 1 25 25 VAL HA H 25 4.859 4.859 4.579 0.280 18364 111 1 . 1 1 25 25 VAL CA C 25 58.548 58.548 61.534 -2.986 18364 112 1 . 1 1 25 25 VAL CB C 25 30.439 30.439 32.799 -2.360 18364 113 1 . 1 1 25 25 VAL H H 25 9.678 9.678 8.304 1.374 18364 114 1 . 1 1 26 26 SER N N 26 122.555 122.555 123.263 -0.708 18364 115 1 . 1 1 26 26 SER HA H 26 5.289 5.289 5.121 0.168 18364 116 1 . 1 1 26 26 SER CA C 26 54.088 54.088 57.084 -2.996 18364 117 1 . 1 1 26 26 SER CB C 26 62.476 62.476 64.444 -1.968 18364 118 1 . 1 1 26 26 SER H H 26 8.883 8.883 8.506 0.377 18364 119 1 . 1 1 27 27 VAL N N 27 113.682 113.682 120.865 -7.183 18364 120 1 . 1 1 27 27 VAL HA H 27 5.269 5.269 4.558 0.711 18364 121 1 . 1 1 27 27 VAL CA C 27 56.005 56.005 59.943 -3.938 18364 122 1 . 1 1 27 27 VAL CB C 27 34.158 34.158 34.152 0.006 18364 123 1 . 1 1 27 27 VAL H H 27 8.493 8.493 8.646 -0.153 18364 124 1 . 1 1 28 28 SER N N 28 116.852 116.852 120.121 -3.269 18364 125 1 . 1 1 28 28 SER HA H 28 5.410 5.410 4.762 0.648 18364 126 1 . 1 1 28 28 SER CA C 28 54.633 54.633 58.638 -4.005 18364 127 1 . 1 1 28 28 SER CB C 28 62.095 62.095 64.040 -1.945 18364 128 1 . 1 1 28 28 SER H H 28 8.709 8.709 8.584 0.125 18364 129 1 . 1 1 29 29 ILE N N 29 128.765 128.765 125.167 3.598 18364 130 1 . 1 1 29 29 ILE HA H 29 5.224 5.224 4.660 0.564 18364 131 1 . 1 1 29 29 ILE CA C 29 57.247 57.247 60.041 -2.794 18364 132 1 . 1 1 29 29 ILE CB C 29 39.144 39.144 40.760 -1.616 18364 133 1 . 1 1 29 29 ILE H H 29 9.631 9.631 8.668 0.963 18364 134 1 . 1 1 30 30 GLY N N 30 112.478 112.478 112.533 -0.055 18364 135 1 . 1 1 30 30 GLY CA C 30 42.140 42.140 44.624 -2.484 18364 136 1 . 1 1 30 30 GLY H H 30 8.095 8.095 7.817 0.278 18364 137 1 . 1 1 31 31 GLY N N 31 108.502 108.502 104.794 3.708 18364 138 1 . 1 1 31 31 GLY CA C 31 43.201 43.201 44.916 -1.715 18364 139 1 . 1 1 31 31 GLY H H 31 9.755 9.755 8.046 1.709 18364 140 1 . 1 1 32 32 ALA N N 32 122.020 122.020 120.495 1.525 18364 141 1 . 1 1 32 32 ALA HA H 32 4.967 4.967 5.215 -0.247 18364 142 1 . 1 1 32 32 ALA CA C 32 48.540 48.540 50.262 -1.722 18364 143 1 . 1 1 32 32 ALA CB C 32 21.078 21.078 22.830 -1.752 18364 144 1 . 1 1 32 32 ALA H H 32 7.338 7.338 7.302 0.036 18364 145 1 . 1 1 33 33 ASP N N 33 121.217 121.217 119.837 1.380 18364 146 1 . 1 1 33 33 ASP HA H 33 3.680 3.680 4.797 -1.117 18364 147 1 . 1 1 33 33 ASP CA C 33 49.520 49.520 52.367 -2.847 18364 148 1 . 1 1 33 33 ASP CB C 33 40.840 40.840 43.722 -2.882 18364 149 1 . 1 1 33 33 ASP H H 33 8.945 8.945 8.831 0.114 18364 150 1 . 1 1 34 34 LYS N N 34 117.693 117.693 120.838 -3.145 18364 151 1 . 1 1 34 34 LYS HA H 34 4.017 4.017 4.312 -0.295 18364 152 1 . 1 1 34 34 LYS CA C 34 56.700 56.700 56.824 -0.124 18364 153 1 . 1 1 34 34 LYS CB C 34 29.772 29.772 31.432 -1.660 18364 154 1 . 1 1 34 34 LYS H H 34 8.200 8.200 8.508 -0.308 18364 155 1 . 1 1 35 35 GLY N N 35 106.697 106.697 109.614 -2.917 18364 156 1 . 1 1 35 35 GLY CA C 35 42.719 42.719 44.753 -2.034 18364 157 1 . 1 1 35 35 GLY H H 35 8.653 8.653 8.306 0.347 18364 158 1 . 1 1 36 36 GLY N N 36 110.824 110.824 108.717 2.107 18364 159 1 . 1 1 36 36 GLY CA C 36 41.099 41.099 44.842 -3.743 18364 160 1 . 1 1 36 36 GLY H H 36 7.601 7.601 8.075 -0.474 18364 161 1 . 1 1 37 37 PRO HA H 37 4.571 4.571 4.638 -0.067 18364 162 1 . 1 1 37 37 PRO CA C 37 60.012 60.012 62.346 -2.335 18364 163 1 . 1 1 37 37 PRO CB C 37 29.470 29.470 32.562 -3.092 18364 164 1 . 1 1 38 38 ALA N N 38 127.841 127.841 125.767 2.074 18364 165 1 . 1 1 38 38 ALA HA H 38 4.127 4.127 4.463 -0.336 18364 166 1 . 1 1 38 38 ALA CA C 38 48.117 48.117 50.914 -2.797 18364 167 1 . 1 1 38 38 ALA CB C 38 16.655 16.655 20.135 -3.480 18364 168 1 . 1 1 38 38 ALA H H 38 7.486 7.486 8.135 -0.649 18364 169 1 . 1 1 39 39 LYS N N 39 121.148 121.148 124.496 -3.348 18364 170 1 . 1 1 39 39 LYS HA H 39 4.115 4.115 4.345 -0.230 18364 171 1 . 1 1 39 39 LYS CA C 39 55.674 55.674 56.968 -1.294 18364 172 1 . 1 1 39 39 LYS CB C 39 31.223 31.223 32.400 -1.177 18364 173 1 . 1 1 39 39 LYS H H 39 8.042 8.042 8.555 -0.513 18364 174 1 . 1 1 40 40 LEU N N 40 118.817 118.817 122.918 -4.101 18364 175 1 . 1 1 40 40 LEU HA H 40 5.122 5.122 4.967 0.155 18364 176 1 . 1 1 40 40 LEU CA C 40 50.156 50.156 53.528 -3.372 18364 177 1 . 1 1 40 40 LEU CB C 40 42.172 42.172 43.440 -1.268 18364 178 1 . 1 1 40 40 LEU H H 40 7.901 7.901 8.623 -0.722 18364 179 1 . 1 1 41 41 TYR N N 41 117.843 117.843 117.941 -0.099 18364 180 1 . 1 1 41 41 TYR HA H 41 5.303 5.303 5.174 0.129 18364 181 1 . 1 1 41 41 TYR CA C 41 53.394 53.394 56.728 -3.334 18364 182 1 . 1 1 41 41 TYR CB C 41 39.419 39.419 42.016 -2.597 18364 183 1 . 1 1 41 41 TYR H H 41 9.109 9.109 9.186 -0.077 18364 184 1 . 1 1 42 42 ASN N N 42 117.689 117.689 119.575 -1.886 18364 185 1 . 1 1 42 42 ASN HA H 42 4.984 4.984 4.885 0.099 18364 186 1 . 1 1 42 42 ASN CA C 42 48.001 48.001 52.001 -4.000 18364 187 1 . 1 1 42 42 ASN CB C 42 36.514 36.514 39.921 -3.407 18364 188 1 . 1 1 42 42 ASN H H 42 8.239 8.239 8.753 -0.514 18364 189 1 . 1 1 43 43 ASP N N 43 116.760 116.760 118.561 -1.801 18364 190 1 . 1 1 43 43 ASP HA H 43 4.170 4.170 4.576 -0.406 18364 191 1 . 1 1 43 43 ASP CA C 43 53.123 53.123 55.434 -2.311 18364 192 1 . 1 1 43 43 ASP CB C 43 37.355 37.355 40.239 -2.884 18364 193 1 . 1 1 43 43 ASP H H 43 8.650 8.650 8.784 -0.134 18364 194 1 . 1 1 44 44 LYS N N 44 118.108 118.108 118.158 -0.050 18364 195 1 . 1 1 44 44 LYS HA H 44 4.359 4.359 4.371 -0.012 18364 196 1 . 1 1 44 44 LYS CA C 44 52.676 52.676 56.153 -3.477 18364 197 1 . 1 1 44 44 LYS CB C 44 30.170 30.170 32.906 -2.736 18364 198 1 . 1 1 44 44 LYS H H 44 7.505 7.505 7.986 -0.481 18364 199 1 . 1 1 45 45 GLY N N 45 108.163 108.163 108.043 0.120 18364 200 1 . 1 1 45 45 GLY CA C 45 42.988 42.988 45.326 -2.338 18364 201 1 . 1 1 45 45 GLY H H 45 8.117 8.117 8.160 -0.043 18364 202 1 . 1 1 46 46 GLU N N 46 120.173 120.173 119.285 0.888 18364 203 1 . 1 1 46 46 GLU HA H 46 4.345 4.345 4.719 -0.374 18364 204 1 . 1 1 46 46 GLU CA C 46 52.409 52.409 54.862 -2.453 18364 205 1 . 1 1 46 46 GLU CB C 46 27.408 27.408 31.711 -4.303 18364 206 1 . 1 1 46 46 GLU H H 46 7.884 7.884 8.050 -0.165 18364 207 1 . 1 1 47 47 TYR N N 47 123.803 123.803 122.129 1.674 18364 208 1 . 1 1 47 47 TYR HA H 47 4.351 4.351 4.089 0.262 18364 209 1 . 1 1 47 47 TYR CA C 47 54.317 54.317 57.767 -3.450 18364 210 1 . 1 1 47 47 TYR CB C 47 35.858 35.858 38.824 -2.966 18364 211 1 . 1 1 47 47 TYR H H 47 8.710 8.710 8.678 0.032 18364 212 1 . 1 1 48 48 ILE N N 48 123.458 123.458 118.782 4.676 18364 213 1 . 1 1 48 48 ILE HA H 48 4.173 4.173 4.291 -0.118 18364 214 1 . 1 1 48 48 ILE CA C 48 58.314 58.314 60.451 -2.137 18364 215 1 . 1 1 48 48 ILE CB C 48 36.129 36.129 38.838 -2.709 18364 216 1 . 1 1 48 48 ILE H H 48 8.416 8.416 8.185 0.231 18364 217 1 . 1 1 49 49 GLY N N 49 107.257 107.257 109.738 -2.481 18364 218 1 . 1 1 49 49 GLY CA C 49 41.367 41.367 45.159 -3.792 18364 219 1 . 1 1 49 49 GLY H H 49 5.472 5.472 7.337 -1.865 18364 220 1 . 1 1 50 50 ASP N N 50 116.887 116.887 116.613 0.274 18364 221 1 . 1 1 50 50 ASP HA H 50 5.043 5.043 5.001 0.042 18364 222 1 . 1 1 50 50 ASP CA C 50 50.588 50.588 53.572 -2.984 18364 223 1 . 1 1 50 50 ASP CB C 50 37.448 37.448 42.227 -4.779 18364 224 1 . 1 1 50 50 ASP H H 50 8.234 8.234 8.597 -0.363 18364 225 1 . 1 1 51 51 SER N N 51 112.664 112.664 113.158 -0.494 18364 226 1 . 1 1 51 51 SER HA H 51 4.439 4.439 4.840 -0.401 18364 227 1 . 1 1 51 51 SER CA C 51 55.489 55.489 57.878 -2.389 18364 228 1 . 1 1 51 51 SER CB C 51 61.559 61.559 65.068 -3.509 18364 229 1 . 1 1 51 51 SER H H 51 7.689 7.689 7.526 0.163 18364 230 1 . 1 1 52 52 TYR N N 52 122.672 122.672 120.091 2.581 18364 231 1 . 1 1 52 52 TYR HA H 52 4.732 4.732 4.788 -0.056 18364 232 1 . 1 1 52 52 TYR CA C 52 55.168 55.168 57.532 -2.364 18364 233 1 . 1 1 52 52 TYR CB C 52 38.599 38.599 38.783 -0.184 18364 234 1 . 1 1 52 52 TYR H H 52 8.231 8.231 8.045 0.186 18364 235 1 . 1 1 53 53 SER N N 53 123.803 123.803 116.359 7.444 18364 236 1 . 1 1 53 53 SER HA H 53 5.429 5.429 5.436 -0.007 18364 237 1 . 1 1 53 53 SER CA C 53 53.508 53.508 57.154 -3.646 18364 238 1 . 1 1 53 53 SER CB C 53 61.674 61.674 65.891 -4.217 18364 239 1 . 1 1 53 53 SER H H 53 8.008 8.008 8.600 -0.592 18364 240 1 . 1 1 54 54 ALA N N 54 125.516 125.516 124.759 0.757 18364 241 1 . 1 1 54 54 ALA HA H 54 4.289 4.289 4.693 -0.404 18364 242 1 . 1 1 54 54 ALA CA C 54 49.097 49.097 51.374 -2.277 18364 243 1 . 1 1 54 54 ALA CB C 54 20.259 20.259 21.462 -1.203 18364 244 1 . 1 1 54 54 ALA H H 54 8.089 8.089 8.790 -0.701 18364 245 1 . 1 1 55 55 GLN N N 55 118.838 118.838 122.693 -3.855 18364 246 1 . 1 1 55 55 GLN HA H 55 4.975 4.975 4.953 0.021 18364 247 1 . 1 1 55 55 GLN CA C 55 52.306 52.306 54.583 -2.277 18364 248 1 . 1 1 55 55 GLN CB C 55 26.138 26.138 30.725 -4.587 18364 249 1 . 1 1 55 55 GLN H H 55 8.100 8.100 8.566 -0.466 18364 250 1 . 1 1 56 56 ILE N N 56 124.748 124.748 126.796 -2.048 18364 251 1 . 1 1 56 56 ILE HA H 56 4.246 4.246 4.137 0.109 18364 252 1 . 1 1 56 56 ILE CA C 56 57.529 57.529 60.680 -3.151 18364 253 1 . 1 1 56 56 ILE CB C 56 34.915 34.915 35.759 -0.844 18364 254 1 . 1 1 56 56 ILE H H 56 8.910 8.910 8.613 0.297 18364 255 1 . 1 1 57 57 ARG N N 57 127.183 127.183 124.579 2.604 18364 256 1 . 1 1 57 57 ARG HA H 57 4.777 4.777 4.638 0.139 18364 257 1 . 1 1 57 57 ARG CA C 57 52.455 52.455 55.118 -2.663 18364 258 1 . 1 1 57 57 ARG CB C 57 28.839 28.839 30.727 -1.888 18364 259 1 . 1 1 57 57 ARG H H 57 8.979 8.979 8.283 0.696 18364 260 1 . 1 1 58 58 THR N N 58 109.995 109.995 109.899 0.096 18364 261 1 . 1 1 58 58 THR HA H 58 4.529 4.529 4.624 -0.095 18364 262 1 . 1 1 58 58 THR CA C 58 57.124 57.124 60.009 -2.885 18364 263 1 . 1 1 58 58 THR CB C 58 68.143 68.143 71.589 -3.446 18364 264 1 . 1 1 58 58 THR H H 58 7.150 7.150 7.487 -0.337 18364 265 1 . 1 1 59 59 ALA N N 59 123.143 123.143 122.676 0.467 18364 266 1 . 1 1 59 59 ALA HA H 59 4.167 4.167 4.219 -0.052 18364 267 1 . 1 1 59 59 ALA CA C 59 52.603 52.603 54.020 -1.417 18364 268 1 . 1 1 59 59 ALA CB C 59 16.910 16.910 19.041 -2.131 18364 269 1 . 1 1 59 59 ALA H H 59 8.531 8.531 8.524 0.007 18364 270 1 . 1 1 60 60 THR N N 60 105.988 105.988 107.240 -1.252 18364 271 1 . 1 1 60 60 THR HA H 60 5.471 5.471 5.007 0.464 18364 272 1 . 1 1 60 60 THR CA C 60 56.904 56.904 60.664 -3.761 18364 273 1 . 1 1 60 60 THR CB C 60 69.111 69.111 71.305 -2.194 18364 274 1 . 1 1 60 60 THR H H 60 7.521 7.521 7.520 0.001 18364 275 1 . 1 1 61 61 MET N N 61 124.706 124.706 121.569 3.137 18364 276 1 . 1 1 61 61 MET HA H 61 4.641 4.641 4.961 -0.320 18364 277 1 . 1 1 61 61 MET CA C 61 52.883 52.883 54.163 -1.280 18364 278 1 . 1 1 61 61 MET CB C 61 32.345 32.345 37.294 -4.949 18364 279 1 . 1 1 61 61 MET H H 61 8.758 8.758 9.220 -0.462 18364 280 1 . 1 1 62 62 SER N N 62 117.004 117.004 115.168 1.836 18364 281 1 . 1 1 62 62 SER HA H 62 5.551 5.551 5.261 0.290 18364 282 1 . 1 1 62 62 SER CA C 62 54.255 54.255 57.776 -3.521 18364 283 1 . 1 1 62 62 SER CB C 62 64.130 64.130 65.829 -1.699 18364 284 1 . 1 1 62 62 SER H H 62 8.164 8.164 8.507 -0.343 18364 285 1 . 1 1 63 63 CYS N N 63 120.270 120.270 118.822 1.448 18364 286 1 . 1 1 63 63 CYS HA H 63 5.075 5.075 5.231 -0.156 18364 287 1 . 1 1 63 63 CYS CA C 63 54.676 54.676 57.631 -2.955 18364 288 1 . 1 1 63 63 CYS CB C 63 28.679 28.679 32.363 -3.684 18364 289 1 . 1 1 63 63 CYS H H 63 8.537 8.537 8.582 -0.045 18364 290 1 . 1 1 64 64 CYS N N 64 120.868 120.868 117.927 2.941 18364 291 1 . 1 1 64 64 CYS HA H 64 5.918 5.918 5.519 0.399 18364 292 1 . 1 1 64 64 CYS CA C 64 53.204 53.204 56.259 -3.055 18364 293 1 . 1 1 64 64 CYS CB C 64 30.216 30.216 31.799 -1.583 18364 294 1 . 1 1 64 64 CYS H H 64 9.307 9.307 8.954 0.353 18364 295 1 . 1 1 65 65 THR N N 65 109.830 109.830 112.491 -2.661 18364 296 1 . 1 1 65 65 THR HA H 65 5.426 5.426 5.095 0.331 18364 297 1 . 1 1 65 65 THR CA C 65 58.465 58.465 60.083 -1.618 18364 298 1 . 1 1 65 65 THR CB C 65 69.665 69.665 71.252 -1.587 18364 299 1 . 1 1 65 65 THR H H 65 8.447 8.447 8.220 0.227 18364 300 1 . 1 1 66 66 ASN N N 66 114.459 114.459 118.313 -3.854 18364 301 1 . 1 1 66 66 ASN HA H 66 4.656 4.656 4.580 0.076 18364 302 1 . 1 1 66 66 ASN CA C 66 49.879 49.879 52.347 -2.468 18364 303 1 . 1 1 66 66 ASN CB C 66 36.267 36.267 39.396 -3.129 18364 304 1 . 1 1 66 66 ASN H H 66 9.300 9.300 8.394 0.906 18364 305 1 . 1 1 67 67 GLY N N 67 103.647 103.647 105.894 -2.247 18364 306 1 . 1 1 67 67 GLY CA C 67 43.796 43.796 45.197 -1.401 18364 307 1 . 1 1 67 67 GLY H H 67 8.237 8.237 8.600 -0.363 18364 308 1 . 1 1 69 69 ALA N N 69 121.911 121.911 123.000 -1.089 18364 309 1 . 1 1 69 69 ALA HA H 69 4.244 4.244 4.523 -0.279 18364 310 1 . 1 1 69 69 ALA CA C 69 49.758 49.758 51.736 -1.978 18364 311 1 . 1 1 69 69 ALA CB C 69 17.376 17.376 21.170 -3.794 18364 312 1 . 1 1 69 69 ALA H H 69 7.677 7.677 7.538 0.139 18364 313 1 . 1 1 70 70 PHE N N 70 114.118 114.118 116.871 -2.753 18364 314 1 . 1 1 70 70 PHE HA H 70 4.965 4.965 4.928 0.037 18364 315 1 . 1 1 70 70 PHE CA C 70 53.129 53.129 58.017 -4.888 18364 316 1 . 1 1 70 70 PHE CB C 70 37.917 37.917 42.442 -4.525 18364 317 1 . 1 1 70 70 PHE H H 70 8.549 8.549 8.578 -0.029 18364 318 1 . 1 1 71 71 PHE N N 71 110.252 110.252 113.407 -3.155 18364 319 1 . 1 1 71 71 PHE HA H 71 4.247 4.247 4.550 -0.303 18364 320 1 . 1 1 71 71 PHE CA C 71 54.475 54.475 55.970 -1.495 18364 321 1 . 1 1 71 71 PHE CB C 71 38.123 38.123 41.068 -2.945 18364 322 1 . 1 1 71 71 PHE H H 71 6.617 6.617 7.088 -0.471 18364 323 1 . 1 1 72 72 MET N N 72 118.637 118.637 118.573 0.064 18364 324 1 . 1 1 72 72 MET HA H 72 4.800 4.800 4.889 -0.089 18364 325 1 . 1 1 72 72 MET CA C 72 53.108 53.108 54.672 -1.564 18364 326 1 . 1 1 72 72 MET CB C 72 35.826 35.826 36.808 -0.982 18364 327 1 . 1 1 72 72 MET H H 72 8.162 8.162 8.415 -0.253 18364 328 1 . 1 1 73 73 THR N N 73 117.278 117.278 116.724 0.554 18364 329 1 . 1 1 73 73 THR HA H 73 5.018 5.018 5.140 -0.122 18364 330 1 . 1 1 73 73 THR CA C 73 58.316 58.316 61.072 -2.756 18364 331 1 . 1 1 73 73 THR CB C 73 69.118 69.118 71.564 -2.446 18364 332 1 . 1 1 73 73 THR H H 73 9.220 9.220 8.678 0.542 18364 333 1 . 1 1 74 74 CYS N N 74 124.101 124.101 125.326 -1.225 18364 334 1 . 1 1 74 74 CYS HA H 74 5.076 5.076 5.181 -0.105 18364 335 1 . 1 1 74 74 CYS CA C 74 54.219 54.219 57.274 -3.055 18364 336 1 . 1 1 74 74 CYS CB C 74 27.012 27.012 28.314 -1.302 18364 337 1 . 1 1 74 74 CYS H H 74 8.958 8.958 8.546 0.412 18364 338 1 . 1 1 75 75 ALA N N 75 132.901 132.901 126.058 6.843 18364 339 1 . 1 1 75 75 ALA HA H 75 4.975 4.975 4.771 0.204 18364 340 1 . 1 1 75 75 ALA CA C 75 47.826 47.826 51.533 -3.707 18364 341 1 . 1 1 75 75 ALA CB C 75 18.111 18.111 20.641 -2.531 18364 342 1 . 1 1 75 75 ALA H H 75 8.834 8.834 7.838 0.996 18364 343 1 . 1 1 76 76 GLY N N 76 110.691 110.691 109.180 1.511 18364 344 1 . 1 1 76 76 GLY CA C 76 41.784 41.784 44.611 -2.827 18364 345 1 . 1 1 76 76 GLY H H 76 8.265 8.265 7.837 0.428 18364 346 1 . 1 1 77 77 SER N N 77 115.145 115.145 113.707 1.438 18364 347 1 . 1 1 77 77 SER HA H 77 4.980 4.980 5.060 -0.080 18364 348 1 . 1 1 77 77 SER CA C 77 54.022 54.022 57.062 -3.040 18364 349 1 . 1 1 77 77 SER CB C 77 62.987 62.987 66.804 -3.817 18364 350 1 . 1 1 77 77 SER H H 77 8.723 8.723 8.631 0.092 18364 351 1 . 1 1 78 78 VAL N N 78 124.775 124.775 119.918 4.857 18364 352 1 . 1 1 78 78 VAL HA H 78 4.634 4.634 5.021 -0.387 18364 353 1 . 1 1 78 78 VAL CA C 78 58.437 58.437 60.375 -1.938 18364 354 1 . 1 1 78 78 VAL CB C 78 32.177 32.177 35.116 -2.939 18364 355 1 . 1 1 78 78 VAL H H 78 8.963 8.963 8.733 0.230 18364 356 1 . 1 1 79 79 SER N N 79 118.951 118.951 120.343 -1.392 18364 357 1 . 1 1 79 79 SER HA H 79 5.619 5.619 5.214 0.405 18364 358 1 . 1 1 79 79 SER CA C 79 53.011 53.011 57.111 -4.100 18364 359 1 . 1 1 79 79 SER CB C 79 64.197 64.197 66.182 -1.985 18364 360 1 . 1 1 79 79 SER H H 79 8.661 8.661 8.711 -0.050 18364 361 1 . 1 1 80 80 SER N N 80 114.750 114.750 115.745 -0.995 18364 362 1 . 1 1 80 80 SER HA H 80 4.439 4.439 4.869 -0.430 18364 363 1 . 1 1 80 80 SER CA C 80 56.198 56.198 57.010 -0.812 18364 364 1 . 1 1 80 80 SER CB C 80 63.490 63.490 65.248 -1.757 18364 365 1 . 1 1 80 80 SER H H 80 8.563 8.563 8.718 -0.155 18364 366 1 . 1 1 81 81 ILE N N 81 120.003 120.003 118.264 1.739 18364 367 1 . 1 1 81 81 ILE HA H 81 4.576 4.576 4.564 0.012 18364 368 1 . 1 1 81 81 ILE CA C 81 57.951 57.951 60.147 -2.196 18364 369 1 . 1 1 81 81 ILE CB C 81 36.011 36.011 38.000 -1.989 18364 370 1 . 1 1 81 81 ILE H H 81 8.366 8.366 8.612 -0.246 18364 371 1 . 1 1 82 82 SER N N 82 119.139 119.139 117.748 1.391 18364 372 1 . 1 1 82 82 SER HA H 82 4.158 4.158 4.514 -0.356 18364 373 1 . 1 1 82 82 SER CA C 82 56.910 56.910 57.699 -0.790 18364 374 1 . 1 1 82 82 SER CB C 82 62.055 62.055 64.641 -2.586 18364 375 1 . 1 1 82 82 SER H H 82 8.204 8.204 7.720 0.484 18364 376 1 . 1 1 83 83 GLU N N 83 118.350 118.350 119.934 -1.584 18364 377 1 . 1 1 83 83 GLU HA H 83 4.133 4.133 4.304 -0.171 18364 378 1 . 1 1 83 83 GLU CA C 83 53.267 53.267 56.170 -2.903 18364 379 1 . 1 1 83 83 GLU CB C 83 27.763 27.763 30.251 -2.488 18364 380 1 . 1 1 83 83 GLU H H 83 8.381 8.381 8.522 -0.141 18364 381 1 . 1 1 84 84 ALA N N 84 121.665 121.665 122.583 -0.918 18364 382 1 . 1 1 84 84 ALA HA H 84 3.542 3.542 4.063 -0.521 18364 383 1 . 1 1 84 84 ALA CA C 84 50.621 50.621 53.487 -2.866 18364 384 1 . 1 1 84 84 ALA CB C 84 16.540 16.540 18.957 -2.417 18364 385 1 . 1 1 84 84 ALA H H 84 8.482 8.482 8.348 0.134 18364 386 1 . 1 1 85 85 GLY N N 85 108.356 108.356 107.487 0.869 18364 387 1 . 1 1 85 85 GLY CA C 85 42.955 42.955 45.360 -2.405 18364 388 1 . 1 1 85 85 GLY H H 85 8.078 8.078 8.602 -0.524 18364 389 1 . 1 1 86 86 LYS N N 86 121.491 121.491 121.917 -0.426 18364 390 1 . 1 1 86 86 LYS HA H 86 4.638 4.638 4.436 0.202 18364 391 1 . 1 1 86 86 LYS CA C 86 51.073 51.073 55.774 -4.701 18364 392 1 . 1 1 86 86 LYS CB C 86 29.750 29.750 32.790 -3.040 18364 393 1 . 1 1 86 86 LYS H H 86 8.225 8.225 8.034 0.191 18364 394 1 . 1 1 87 87 ARG N N 87 121.874 121.874 120.061 1.813 18364 395 1 . 1 1 87 87 ARG HA H 87 5.673 5.673 5.191 0.483 18364 396 1 . 1 1 87 87 ARG CA C 87 52.139 52.139 54.954 -2.815 18364 397 1 . 1 1 87 87 ARG CB C 87 32.163 32.163 33.630 -1.467 18364 398 1 . 1 1 87 87 ARG H H 87 9.979 9.979 8.655 1.324 18364 399 1 . 1 1 88 88 LEU N N 88 125.264 125.264 120.590 4.674 18364 400 1 . 1 1 88 88 LEU HA H 88 4.562 4.562 4.973 -0.411 18364 401 1 . 1 1 88 88 LEU CA C 88 50.284 50.284 54.777 -4.493 18364 402 1 . 1 1 88 88 LEU CB C 88 42.309 42.309 46.030 -3.721 18364 403 1 . 1 1 88 88 LEU H H 88 8.756 8.756 8.587 0.169 18364 404 1 . 1 1 89 89 HIS N N 89 125.453 125.453 124.776 0.677 18364 405 1 . 1 1 89 89 HIS HA H 89 5.188 5.188 5.184 0.004 18364 406 1 . 1 1 89 89 HIS CA C 89 51.389 51.389 54.800 -3.411 18364 407 1 . 1 1 89 89 HIS CB C 89 27.731 27.731 32.789 -5.058 18364 408 1 . 1 1 89 89 HIS H H 89 8.910 8.910 8.879 0.031 18364 409 1 . 1 1 90 90 ILE N N 90 126.486 126.486 127.314 -0.828 18364 410 1 . 1 1 90 90 ILE HA H 90 5.020 5.020 4.755 0.265 18364 411 1 . 1 1 90 90 ILE CA C 90 55.642 55.642 59.726 -4.084 18364 412 1 . 1 1 90 90 ILE CB C 90 38.696 38.696 40.539 -1.843 18364 413 1 . 1 1 90 90 ILE H H 90 8.689 8.689 8.405 0.284 18364 414 1 . 1 1 91 91 THR N N 91 123.200 123.200 122.705 0.495 18364 415 1 . 1 1 91 91 THR HA H 91 5.017 5.017 4.767 0.250 18364 416 1 . 1 1 91 91 THR CA C 91 58.555 58.555 61.573 -3.017 18364 417 1 . 1 1 91 91 THR CB C 91 68.702 68.702 70.568 -1.866 18364 418 1 . 1 1 91 91 THR H H 91 8.636 8.636 8.582 0.054 18364 419 1 . 1 1 92 92 VAL N N 92 127.071 127.071 122.971 4.100 18364 420 1 . 1 1 92 92 VAL HA H 92 5.018 5.018 4.889 0.129 18364 421 1 . 1 1 92 92 VAL CA C 92 57.969 57.969 60.843 -2.874 18364 422 1 . 1 1 92 92 VAL CB C 92 31.323 31.323 33.424 -2.101 18364 423 1 . 1 1 92 92 VAL H H 92 9.162 9.162 8.938 0.224 18364 424 1 . 1 1 93 93 ILE N N 93 127.095 127.095 125.395 1.700 18364 425 1 . 1 1 93 93 ILE HA H 93 4.461 4.461 4.971 -0.510 18364 426 1 . 1 1 93 93 ILE CA C 93 57.972 57.972 59.682 -1.710 18364 427 1 . 1 1 93 93 ILE CB C 93 38.929 38.929 42.104 -3.175 18364 428 1 . 1 1 93 93 ILE H H 93 9.313 9.313 8.885 0.428 18364 429 1 . 1 1 94 94 GLY N N 94 111.893 111.893 111.086 0.807 18364 430 1 . 1 1 94 94 GLY CA C 94 41.781 41.781 44.012 -2.231 18364 431 1 . 1 1 94 94 GLY H H 94 8.577 8.577 8.654 -0.077 18364 432 1 . 1 1 95 95 TYR N N 95 123.099 123.099 120.537 2.562 18364 433 1 . 1 1 95 95 TYR HA H 95 5.399 5.399 5.492 -0.093 18364 434 1 . 1 1 95 95 TYR CA C 95 54.052 54.052 56.579 -2.527 18364 435 1 . 1 1 95 95 TYR CB C 95 41.285 41.285 43.667 -2.382 18364 436 1 . 1 1 95 95 TYR H H 95 9.640 9.640 9.192 0.448 18364 437 1 . 1 1 96 96 ILE N N 96 116.705 116.705 120.795 -4.090 18364 438 1 . 1 1 96 96 ILE HA H 96 4.208 4.208 4.353 -0.145 18364 439 1 . 1 1 96 96 ILE CA C 96 58.977 58.977 60.617 -1.640 18364 440 1 . 1 1 96 96 ILE CB C 96 37.245 37.245 40.410 -3.166 18364 441 1 . 1 1 96 96 ILE H H 96 8.270 8.270 8.913 -0.643 18364 442 1 . 1 1 97 97 ASP N N 97 130.442 130.442 128.319 2.123 18364 443 1 . 1 1 97 97 ASP HA H 97 4.165 4.165 4.215 -0.050 18364 444 1 . 1 1 97 97 ASP CA C 97 53.736 53.736 56.792 -3.056 18364 445 1 . 1 1 97 97 ASP CB C 97 36.870 36.870 40.185 -3.315 18364 446 1 . 1 1 97 97 ASP H H 97 9.849 9.849 8.941 0.908 18364 447 1 . 1 1 98 98 ASP N N 98 114.957 114.957 117.773 -2.816 18364 448 1 . 1 1 98 98 ASP HA H 98 4.694 4.694 4.591 0.103 18364 449 1 . 1 1 98 98 ASP CB C 98 36.266 36.266 41.991 -5.725 18364 450 1 . 1 1 98 98 ASP H H 98 8.355 8.355 8.404 -0.049 18364 451 1 . 1 1 99 99 LYS N N 99 121.680 121.680 119.412 2.268 18364 452 1 . 1 1 99 99 LYS HA H 99 4.590 4.590 4.705 -0.115 18364 453 1 . 1 1 99 99 LYS CA C 99 52.354 52.354 54.982 -2.628 18364 454 1 . 1 1 99 99 LYS CB C 99 30.958 30.958 35.824 -4.866 18364 455 1 . 1 1 99 99 LYS H H 99 8.049 8.049 7.958 0.091 18364 456 1 . 1 1 100 100 GLU N N 100 127.574 127.574 123.518 4.056 18364 457 1 . 1 1 100 100 GLU HA H 100 3.804 3.804 4.054 -0.250 18364 458 1 . 1 1 100 100 GLU CA C 100 54.562 54.562 56.538 -1.976 18364 459 1 . 1 1 100 100 GLU CB C 100 26.808 26.808 29.994 -3.186 18364 460 1 . 1 1 100 100 GLU H H 100 8.839 8.839 8.690 0.149 18364 461 1 . 1 1 101 101 VAL N N 101 120.606 120.606 120.204 0.402 18364 462 1 . 1 1 101 101 VAL HA H 101 4.534 4.534 4.429 0.105 18364 463 1 . 1 1 101 101 VAL CA C 101 58.379 58.379 61.579 -3.200 18364 464 1 . 1 1 101 101 VAL CB C 101 31.223 31.223 33.452 -2.229 18364 465 1 . 1 1 101 101 VAL H H 101 8.997 8.997 8.578 0.420 18364 466 1 . 1 1 102 102 ASN N N 102 118.568 118.568 119.539 -0.971 18364 467 1 . 1 1 102 102 ASN HA H 102 4.782 4.782 4.898 -0.116 18364 468 1 . 1 1 102 102 ASN CA C 102 50.154 50.154 53.198 -3.044 18364 469 1 . 1 1 102 102 ASN CB C 102 38.848 38.848 41.523 -2.675 18364 470 1 . 1 1 102 102 ASN H H 102 7.598 7.598 7.683 -0.085 18364 471 1 . 1 1 103 103 ARG N N 103 120.366 120.366 121.492 -1.126 18364 472 1 . 1 1 103 103 ARG HA H 103 5.051 5.051 5.285 -0.234 18364 473 1 . 1 1 103 103 ARG CA C 103 52.900 52.900 55.398 -2.498 18364 474 1 . 1 1 103 103 ARG CB C 103 31.710 31.710 32.443 -0.733 18364 475 1 . 1 1 103 103 ARG H H 103 8.155 8.155 8.382 -0.227 18364 476 1 . 1 1 104 104 LEU N N 104 128.859 128.859 120.131 8.728 18364 477 1 . 1 1 104 104 LEU HA H 104 4.553 4.553 5.015 -0.462 18364 478 1 . 1 1 104 104 LEU CA C 104 51.272 51.272 53.770 -2.498 18364 479 1 . 1 1 104 104 LEU CB C 104 43.549 43.549 45.721 -2.172 18364 480 1 . 1 1 104 104 LEU H H 104 9.271 9.271 8.788 0.483 18364 481 1 . 1 1 105 105 GLU N N 105 125.663 125.663 118.858 6.805 18364 482 1 . 1 1 105 105 GLU HA H 105 5.179 5.179 5.050 0.129 18364 483 1 . 1 1 105 105 GLU CA C 105 51.966 51.966 55.159 -3.193 18364 484 1 . 1 1 105 105 GLU CB C 105 29.358 29.358 32.601 -3.243 18364 485 1 . 1 1 105 105 GLU H H 105 8.346 8.346 8.417 -0.071 18364 486 1 . 1 1 106 106 LYS N N 106 123.659 123.659 120.013 3.646 18364 487 1 . 1 1 106 106 LYS HA H 106 4.281 4.281 4.396 -0.115 18364 488 1 . 1 1 106 106 LYS CA C 106 51.118 51.118 54.728 -3.610 18364 489 1 . 1 1 106 106 LYS CB C 106 34.761 34.761 36.365 -1.604 18364 490 1 . 1 1 106 106 LYS H H 106 8.526 8.526 8.349 0.177 18364 491 1 . 1 1 107 107 GLU N N 107 121.917 121.917 120.281 1.636 18364 492 1 . 1 1 107 107 GLU HA H 107 4.949 4.949 4.816 0.132 18364 493 1 . 1 1 107 107 GLU CA C 107 51.404 51.404 54.684 -3.280 18364 494 1 . 1 1 107 107 GLU CB C 107 29.906 29.906 32.210 -2.304 18364 495 1 . 1 1 107 107 GLU H H 107 7.773 7.773 7.966 -0.193 18364 496 1 . 1 1 108 108 TYR N N 108 124.981 124.981 122.187 2.794 18364 497 1 . 1 1 108 108 TYR HA H 108 4.720 4.720 4.807 -0.087 18364 498 1 . 1 1 108 108 TYR CA C 108 54.188 54.188 56.753 -2.565 18364 499 1 . 1 1 108 108 TYR CB C 108 39.101 39.101 42.481 -3.380 18364 500 1 . 1 1 108 108 TYR H H 108 9.031 9.031 8.592 0.439 18364 501 1 . 1 1 109 109 ILE N N 109 121.680 121.680 120.095 1.585 18364 502 1 . 1 1 109 109 ILE HA H 109 5.471 5.471 4.925 0.546 18364 503 1 . 1 1 109 109 ILE CA C 109 56.592 56.592 60.017 -3.425 18364 504 1 . 1 1 109 109 ILE CB C 109 38.728 38.728 42.348 -3.620 18364 505 1 . 1 1 109 109 ILE H H 109 8.475 8.475 8.443 0.032 18364 506 1 . 1 1 110 110 THR N N 110 117.537 117.537 116.170 1.367 18364 507 1 . 1 1 110 110 THR HA H 110 4.521 4.521 4.484 0.037 18364 508 1 . 1 1 110 110 THR CA C 110 59.337 59.337 61.714 -2.377 18364 509 1 . 1 1 110 110 THR CB C 110 67.143 67.143 70.157 -3.014 18364 510 1 . 1 1 110 110 THR H H 110 9.180 9.180 8.512 0.667 18364 511 1 . 1 1 111 111 ASP N N 111 122.428 122.428 124.835 -2.407 18364 512 1 . 1 1 111 111 ASP HA H 111 4.721 4.721 4.718 0.003 18364 513 1 . 1 1 111 111 ASP CA C 111 50.135 50.135 53.940 -3.805 18364 514 1 . 1 1 111 111 ASP CB C 111 39.613 39.613 40.985 -1.372 18364 515 1 . 1 1 111 111 ASP H H 111 9.342 9.342 8.787 0.555 18364 516 1 . 1 1 112 112 GLY N N 112 110.714 110.714 108.101 2.613 18364 517 1 . 1 1 112 112 GLY CA C 112 43.084 43.084 45.095 -2.011 18364 518 1 . 1 1 112 112 GLY H H 112 8.333 8.333 8.519 -0.186 18364 519 1 . 1 1 113 113 ASN N N 113 119.462 119.462 119.114 0.348 18364 520 1 . 1 1 113 113 ASN HA H 113 4.926 4.926 4.871 0.055 18364 521 1 . 1 1 113 113 ASN CA C 113 49.373 49.373 52.852 -3.479 18364 522 1 . 1 1 113 113 ASN CB C 113 37.377 37.377 39.332 -1.955 18364 523 1 . 1 1 113 113 ASN H H 113 8.210 8.210 8.151 0.059 18364 524 1 . 1 1 114 114 THR N N 114 117.962 117.962 114.485 3.477 18364 525 1 . 1 1 114 114 THR HA H 114 4.136 4.136 4.184 -0.048 18364 526 1 . 1 1 114 114 THR CA C 114 62.066 62.066 62.686 -0.620 18364 527 1 . 1 1 114 114 THR CB C 114 66.489 66.489 69.139 -2.650 18364 528 1 . 1 1 114 114 THR H H 114 8.436 8.436 8.293 0.143 18364 529 1 . 1 1 115 115 LEU N N 115 132.998 132.998 128.072 4.926 18364 530 1 . 1 1 115 115 LEU HA H 115 4.607 4.607 4.497 0.110 18364 531 1 . 1 1 115 115 LEU CA C 115 52.335 52.335 55.118 -2.783 18364 532 1 . 1 1 115 115 LEU CB C 115 41.546 41.546 43.127 -1.581 18364 533 1 . 1 1 115 115 LEU H H 115 8.789 8.789 8.260 0.529 18364 534 1 . 1 1 116 116 ILE N N 116 126.586 126.586 123.618 2.968 18364 535 1 . 1 1 116 116 ILE HA H 116 4.784 4.784 4.924 -0.140 18364 536 1 . 1 1 116 116 ILE CA C 116 58.270 58.270 60.135 -1.865 18364 537 1 . 1 1 116 116 ILE CB C 116 37.909 37.909 42.119 -4.210 18364 538 1 . 1 1 116 116 ILE H H 116 8.637 8.637 8.229 0.408 18364 539 1 . 1 1 117 117 GLU N N 117 127.084 127.084 123.692 3.392 18364 540 1 . 1 1 117 117 GLU HA H 117 4.830 4.830 4.798 0.032 18364 541 1 . 1 1 117 117 GLU CA C 117 51.847 51.847 54.910 -3.063 18364 542 1 . 1 1 117 117 GLU CB C 117 32.299 32.299 34.427 -2.128 18364 543 1 . 1 1 117 117 GLU H H 117 8.933 8.933 8.824 0.109 18364 544 1 . 1 1 118 118 THR N N 118 110.826 110.826 111.642 -0.816 18364 545 1 . 1 1 118 118 THR HA H 118 5.190 5.190 4.918 0.272 18364 546 1 . 1 1 118 118 THR CA C 118 57.036 57.036 60.540 -3.504 18364 547 1 . 1 1 118 118 THR CB C 118 69.888 69.888 71.100 -1.212 18364 548 1 . 1 1 118 118 THR H H 118 8.664 8.664 8.421 0.243 18364 549 1 . 1 1 119 119 PHE N N 119 115.915 115.915 117.225 -1.310 18364 550 1 . 1 1 119 119 PHE HA H 119 4.999 4.999 5.033 -0.034 18364 551 1 . 1 1 119 119 PHE CA C 119 53.804 53.804 56.793 -2.989 18364 552 1 . 1 1 119 119 PHE CB C 119 39.787 39.787 41.450 -1.663 18364 553 1 . 1 1 119 119 PHE H H 119 8.087 8.087 8.165 -0.077 18364 554 1 . 1 1 120 120 SER N N 120 114.953 114.953 115.452 -0.499 18364 555 1 . 1 1 120 120 SER HA H 120 5.383 5.383 5.005 0.378 18364 556 1 . 1 1 120 120 SER CA C 120 55.192 55.192 57.911 -2.719 18364 557 1 . 1 1 120 120 SER CB C 120 62.113 62.113 65.494 -3.381 18364 558 1 . 1 1 120 120 SER H H 120 8.627 8.627 8.536 0.091 18364 559 1 . 1 1 121 121 VAL N N 121 124.122 124.122 124.060 0.062 18364 560 1 . 1 1 121 121 VAL HA H 121 4.349 4.349 4.461 -0.112 18364 561 1 . 1 1 121 121 VAL CA C 121 59.005 59.005 61.749 -2.744 18364 562 1 . 1 1 121 121 VAL CB C 121 34.127 34.127 34.218 -0.091 18364 563 1 . 1 1 121 121 VAL H H 121 8.866 8.866 8.615 0.251 18364 564 1 . 1 1 122 122 SER N N 122 119.703 119.703 121.774 -2.071 18364 565 1 . 1 1 122 122 SER HA H 122 5.598 5.598 5.210 0.388 18364 566 1 . 1 1 122 122 SER CA C 122 53.065 53.065 57.626 -4.561 18364 567 1 . 1 1 122 122 SER CB C 122 63.442 63.442 65.039 -1.597 18364 568 1 . 1 1 122 122 SER H H 122 8.334 8.334 8.588 -0.254 18364 569 1 . 1 1 123 123 THR N N 123 113.276 113.276 112.364 0.912 18364 570 1 . 1 1 123 123 THR HA H 123 4.093 4.093 4.524 -0.431 18364 571 1 . 1 1 123 123 THR CA C 123 60.143 60.143 62.011 -1.868 18364 572 1 . 1 1 123 123 THR CB C 123 64.437 64.437 69.368 -4.931 18364 573 1 . 1 1 123 123 THR H H 123 8.898 8.898 8.797 0.101 18364 574 1 . 1 1 124 124 LYS N N 124 119.191 119.191 120.689 -1.498 18364 575 1 . 1 1 124 124 LYS HA H 124 4.324 4.324 4.536 -0.212 18364 576 1 . 1 1 124 124 LYS CA C 124 53.486 53.486 56.421 -2.935 18364 577 1 . 1 1 124 124 LYS CB C 124 32.376 32.376 34.713 -2.337 18364 578 1 . 1 1 124 124 LYS H H 124 7.569 7.569 7.849 -0.280 18364 579 1 . 1 1 125 125 GLU N N 125 124.243 124.243 124.265 -0.022 18364 580 1 . 1 1 125 125 GLU HA H 125 4.255 4.255 4.630 -0.375 18364 581 1 . 1 1 125 125 GLU CA C 125 53.830 53.830 55.889 -2.059 18364 582 1 . 1 1 125 125 GLU CB C 125 27.674 27.674 30.946 -3.272 18364 583 1 . 1 1 125 125 GLU H H 125 8.359 8.359 8.436 -0.077 18364 stop_ save_