data_18518 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18518 _Entry.PDB_ID 2LUE 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 18518 _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 HA H 2 4.336 4.336 5.061 -0.725 18518 2 1 1 . 1 1 2 2 ALA C C 2 177.974 177.974 177.195 0.779 18518 3 1 1 . 1 1 2 2 ALA CA C 2 52.785 52.785 52.324 0.461 18518 4 1 1 . 1 1 2 2 ALA CB C 2 19.444 19.444 20.392 -0.948 18518 5 1 1 . 1 1 3 3 MET N N 3 119.311 119.311 121.009 -1.698 18518 6 1 1 . 1 1 3 3 MET HA H 3 4.451 4.451 4.590 -0.139 18518 7 1 1 . 1 1 3 3 MET C C 3 176.913 176.913 175.547 1.366 18518 8 1 1 . 1 1 3 3 MET CA C 3 55.679 55.679 55.602 0.077 18518 9 1 1 . 1 1 3 3 MET CB C 3 32.590 32.590 34.841 -2.251 18518 10 1 1 . 1 1 3 3 MET H H 3 8.638 8.638 8.493 0.145 18518 11 1 1 . 1 1 4 4 GLY N N 4 110.281 110.281 113.047 -2.766 18518 12 1 1 . 1 1 4 4 GLY C C 4 174.180 174.180 173.728 0.452 18518 13 1 1 . 1 1 4 4 GLY CA C 4 45.495 45.495 44.775 0.720 18518 14 1 1 . 1 1 4 4 GLY H H 4 8.552 8.552 8.645 -0.093 18518 15 1 1 . 1 1 5 5 LYS N N 5 120.818 120.818 126.395 -5.577 18518 16 1 1 . 1 1 5 5 LYS HA H 5 4.509 4.509 4.727 -0.218 18518 17 1 1 . 1 1 5 5 LYS C C 5 177.605 177.605 176.522 1.083 18518 18 1 1 . 1 1 5 5 LYS CA C 5 56.134 56.134 55.301 0.833 18518 19 1 1 . 1 1 5 5 LYS CB C 5 34.813 34.813 32.862 1.951 18518 20 1 1 . 1 1 5 5 LYS H H 5 8.133 8.133 7.823 0.310 18518 21 1 1 . 1 1 6 6 THR N N 6 114.781 114.781 117.455 -2.674 18518 22 1 1 . 1 1 6 6 THR HA H 6 4.421 4.421 4.333 0.088 18518 23 1 1 . 1 1 6 6 THR C C 6 175.524 175.524 175.807 -0.283 18518 24 1 1 . 1 1 6 6 THR CA C 6 61.127 61.127 60.834 0.293 18518 25 1 1 . 1 1 6 6 THR CB C 6 69.926 69.926 70.228 -0.302 18518 26 1 1 . 1 1 6 6 THR H H 6 8.483 8.483 8.439 0.044 18518 27 1 1 . 1 1 7 7 PHE N N 7 125.552 125.552 120.405 5.147 18518 28 1 1 . 1 1 7 7 PHE HA H 7 4.005 4.005 4.219 -0.214 18518 29 1 1 . 1 1 7 7 PHE C C 7 177.397 177.397 176.572 0.825 18518 30 1 1 . 1 1 7 7 PHE CA C 7 63.393 63.393 60.664 2.729 18518 31 1 1 . 1 1 7 7 PHE CB C 7 39.567 39.567 38.246 1.321 18518 32 1 1 . 1 1 7 7 PHE H H 7 10.245 10.245 9.196 1.049 18518 33 1 1 . 1 1 8 8 LYS N N 8 114.053 114.053 117.636 -3.583 18518 34 1 1 . 1 1 8 8 LYS HA H 8 3.835 3.835 3.754 0.081 18518 35 1 1 . 1 1 8 8 LYS C C 8 175.520 175.520 178.432 -2.912 18518 36 1 1 . 1 1 8 8 LYS CA C 8 59.993 59.993 57.957 2.036 18518 37 1 1 . 1 1 8 8 LYS CB C 8 33.689 33.689 31.448 2.241 18518 38 1 1 . 1 1 8 8 LYS H H 8 8.775 8.775 6.786 1.989 18518 39 1 1 . 1 1 9 9 GLN N N 9 113.516 113.516 117.910 -4.394 18518 40 1 1 . 1 1 9 9 GLN HA H 9 4.149 4.149 4.109 0.040 18518 41 1 1 . 1 1 9 9 GLN C C 9 177.615 177.615 177.384 0.231 18518 42 1 1 . 1 1 9 9 GLN CA C 9 56.819 56.819 57.881 -1.062 18518 43 1 1 . 1 1 9 9 GLN CB C 9 30.019 30.019 29.182 0.837 18518 44 1 1 . 1 1 9 9 GLN H H 9 7.355 7.355 7.552 -0.197 18518 45 1 1 . 1 1 10 10 ARG N N 10 118.294 118.294 116.313 1.981 18518 46 1 1 . 1 1 10 10 ARG HA H 10 4.302 4.302 4.236 0.066 18518 47 1 1 . 1 1 10 10 ARG C C 10 179.380 179.380 177.034 2.346 18518 48 1 1 . 1 1 10 10 ARG CA C 10 57.268 57.268 56.918 0.350 18518 49 1 1 . 1 1 10 10 ARG CB C 10 31.642 31.642 30.927 0.715 18518 50 1 1 . 1 1 10 10 ARG H H 10 7.936 7.936 7.768 0.168 18518 51 1 1 . 1 1 11 11 ARG N N 11 121.137 121.137 119.584 1.553 18518 52 1 1 . 1 1 11 11 ARG HA H 11 4.680 4.680 4.961 -0.281 18518 53 1 1 . 1 1 11 11 ARG CA C 11 53.453 53.453 53.831 -0.378 18518 54 1 1 . 1 1 11 11 ARG CB C 11 32.938 32.938 31.287 1.651 18518 55 1 1 . 1 1 11 11 ARG H H 11 7.390 7.390 7.493 -0.103 18518 56 1 1 . 1 1 12 12 THR N N 12 116.819 116.819 119.483 -2.664 18518 57 1 1 . 1 1 12 12 THR HA H 12 4.359 4.359 4.313 0.046 18518 58 1 1 . 1 1 12 12 THR C C 12 174.989 174.989 175.665 -0.676 18518 59 1 1 . 1 1 12 12 THR CA C 12 61.748 61.748 63.380 -1.632 18518 60 1 1 . 1 1 12 12 THR CB C 12 71.068 71.068 70.463 0.605 18518 61 1 1 . 1 1 12 12 THR H H 12 8.953 8.953 8.609 0.344 18518 62 1 1 . 1 1 13 13 PHE N N 13 123.200 123.200 123.002 0.198 18518 63 1 1 . 1 1 13 13 PHE HA H 13 4.028 4.028 4.231 -0.203 18518 64 1 1 . 1 1 13 13 PHE C C 13 176.029 176.029 177.005 -0.976 18518 65 1 1 . 1 1 13 13 PHE CA C 13 62.864 62.864 62.651 0.213 18518 66 1 1 . 1 1 13 13 PHE CB C 13 39.560 39.560 39.435 0.125 18518 67 1 1 . 1 1 13 13 PHE H H 13 9.284 9.284 8.994 0.290 18518 68 1 1 . 1 1 14 14 GLU N N 14 115.414 115.414 118.511 -3.097 18518 69 1 1 . 1 1 14 14 GLU HA H 14 3.794 3.794 4.033 -0.239 18518 70 1 1 . 1 1 14 14 GLU C C 14 180.081 180.081 179.098 0.983 18518 71 1 1 . 1 1 14 14 GLU CA C 14 60.619 60.619 60.149 0.470 18518 72 1 1 . 1 1 14 14 GLU CB C 14 28.852 28.852 28.718 0.134 18518 73 1 1 . 1 1 14 14 GLU H H 14 8.973 8.973 8.844 0.129 18518 74 1 1 . 1 1 15 15 GLN N N 15 119.276 119.276 118.085 1.191 18518 75 1 1 . 1 1 15 15 GLN HA H 15 4.000 4.000 4.342 -0.342 18518 76 1 1 . 1 1 15 15 GLN C C 15 177.978 177.978 179.234 -1.256 18518 77 1 1 . 1 1 15 15 GLN CA C 15 58.835 58.835 59.020 -0.185 18518 78 1 1 . 1 1 15 15 GLN CB C 15 29.370 29.370 28.485 0.885 18518 79 1 1 . 1 1 15 15 GLN H H 15 7.756 7.756 8.561 -0.805 18518 80 1 1 . 1 1 16 16 ARG N N 16 121.336 121.336 120.411 0.925 18518 81 1 1 . 1 1 16 16 ARG HA H 16 4.270 4.270 4.166 0.104 18518 82 1 1 . 1 1 16 16 ARG C C 16 177.416 177.416 178.791 -1.375 18518 83 1 1 . 1 1 16 16 ARG CA C 16 61.375 61.375 59.501 1.874 18518 84 1 1 . 1 1 16 16 ARG CB C 16 30.605 30.605 30.212 0.393 18518 85 1 1 . 1 1 16 16 ARG H H 16 8.645 8.645 7.925 0.720 18518 86 1 1 . 1 1 17 17 VAL N N 17 117.630 117.630 117.763 -0.133 18518 87 1 1 . 1 1 17 17 VAL HA H 17 3.857 3.857 3.716 0.141 18518 88 1 1 . 1 1 17 17 VAL C C 17 179.748 179.748 177.736 2.012 18518 89 1 1 . 1 1 17 17 VAL CA C 17 65.726 65.726 65.699 0.027 18518 90 1 1 . 1 1 17 17 VAL CB C 17 32.194 32.194 31.432 0.762 18518 91 1 1 . 1 1 17 17 VAL H H 17 8.373 8.373 8.042 0.331 18518 92 1 1 . 1 1 18 18 GLU N N 18 120.864 120.864 120.633 0.231 18518 93 1 1 . 1 1 18 18 GLU HA H 18 4.302 4.302 3.892 0.410 18518 94 1 1 . 1 1 18 18 GLU C C 18 177.728 177.728 178.353 -0.625 18518 95 1 1 . 1 1 18 18 GLU CA C 18 58.486 58.486 59.908 -1.422 18518 96 1 1 . 1 1 18 18 GLU CB C 18 29.382 29.382 29.467 -0.085 18518 97 1 1 . 1 1 18 18 GLU H H 18 7.368 7.368 8.192 -0.824 18518 98 1 1 . 1 1 19 19 ASP N N 19 121.425 121.425 120.139 1.286 18518 99 1 1 . 1 1 19 19 ASP HA H 19 4.434 4.434 4.408 0.026 18518 100 1 1 . 1 1 19 19 ASP C C 19 179.978 179.978 178.522 1.456 18518 101 1 1 . 1 1 19 19 ASP CA C 19 57.422 57.422 57.120 0.303 18518 102 1 1 . 1 1 19 19 ASP CB C 19 41.287 41.287 40.578 0.709 18518 103 1 1 . 1 1 19 19 ASP H H 19 8.671 8.671 7.927 0.744 18518 104 1 1 . 1 1 20 20 VAL N N 20 119.730 119.730 119.998 -0.268 18518 105 1 1 . 1 1 20 20 VAL HA H 20 3.205 3.205 3.379 -0.174 18518 106 1 1 . 1 1 20 20 VAL C C 20 176.284 176.284 178.055 -1.771 18518 107 1 1 . 1 1 20 20 VAL CA C 20 66.315 66.315 66.464 -0.149 18518 108 1 1 . 1 1 20 20 VAL CB C 20 31.107 31.107 31.255 -0.148 18518 109 1 1 . 1 1 20 20 VAL H H 20 7.999 7.999 8.227 -0.228 18518 110 1 1 . 1 1 21 21 ARG N N 21 121.455 121.455 119.526 1.929 18518 111 1 1 . 1 1 21 21 ARG HA H 21 3.814 3.814 3.965 -0.151 18518 112 1 1 . 1 1 21 21 ARG C C 21 180.120 180.120 178.681 1.439 18518 113 1 1 . 1 1 21 21 ARG CA C 21 59.830 59.830 58.954 0.876 18518 114 1 1 . 1 1 21 21 ARG CB C 21 29.946 29.946 29.245 0.701 18518 115 1 1 . 1 1 21 21 ARG H H 21 8.098 8.098 8.340 -0.242 18518 116 1 1 . 1 1 22 22 LEU N N 22 117.826 117.826 121.397 -3.571 18518 117 1 1 . 1 1 22 22 LEU HA H 22 4.049 4.049 4.080 -0.032 18518 118 1 1 . 1 1 22 22 LEU C C 22 180.115 180.115 178.560 1.555 18518 119 1 1 . 1 1 22 22 LEU CA C 22 57.790 57.790 57.748 0.042 18518 120 1 1 . 1 1 22 22 LEU CB C 22 42.142 42.142 41.564 0.578 18518 121 1 1 . 1 1 22 22 LEU H H 22 8.207 8.207 8.233 -0.026 18518 122 1 1 . 1 1 23 23 ILE N N 23 121.450 121.450 119.944 1.506 18518 123 1 1 . 1 1 23 23 ILE HA H 23 4.013 4.013 3.922 0.091 18518 124 1 1 . 1 1 23 23 ILE C C 23 178.149 178.149 178.853 -0.704 18518 125 1 1 . 1 1 23 23 ILE CA C 23 62.171 62.171 64.450 -2.279 18518 126 1 1 . 1 1 23 23 ILE CB C 23 38.106 38.106 36.802 1.304 18518 127 1 1 . 1 1 23 23 ILE H H 23 8.105 8.105 8.462 -0.357 18518 128 1 1 . 1 1 24 24 ARG N N 24 121.139 121.139 118.691 2.448 18518 129 1 1 . 1 1 24 24 ARG HA H 24 3.987 3.987 4.046 -0.059 18518 130 1 1 . 1 1 24 24 ARG C C 24 178.702 178.702 179.008 -0.306 18518 131 1 1 . 1 1 24 24 ARG CA C 24 57.718 57.718 58.723 -1.005 18518 132 1 1 . 1 1 24 24 ARG CB C 24 28.769 28.769 29.562 -0.793 18518 133 1 1 . 1 1 24 24 ARG H H 24 8.601 8.601 8.292 0.309 18518 134 1 1 . 1 1 25 25 GLU N N 25 118.054 118.054 119.224 -1.170 18518 135 1 1 . 1 1 25 25 GLU HA H 25 4.026 4.026 4.108 -0.082 18518 136 1 1 . 1 1 25 25 GLU C C 25 178.492 178.492 178.119 0.373 18518 137 1 1 . 1 1 25 25 GLU CA C 25 58.780 58.780 58.396 0.384 18518 138 1 1 . 1 1 25 25 GLU CB C 25 30.001 30.001 29.728 0.273 18518 139 1 1 . 1 1 25 25 GLU H H 25 7.423 7.423 7.776 -0.353 18518 140 1 1 . 1 1 26 26 GLN N N 26 116.350 116.350 117.019 -0.669 18518 141 1 1 . 1 1 26 26 GLN HA H 26 3.936 3.936 4.040 -0.104 18518 142 1 1 . 1 1 26 26 GLN C C 26 176.305 176.305 176.963 -0.658 18518 143 1 1 . 1 1 26 26 GLN CA C 26 57.503 57.503 57.611 -0.108 18518 144 1 1 . 1 1 26 26 GLN CB C 26 30.207 30.207 29.430 0.777 18518 145 1 1 . 1 1 26 26 GLN H H 26 7.524 7.524 8.060 -0.536 18518 146 1 1 . 1 1 27 27 HIS N N 27 116.017 116.017 119.006 -2.989 18518 147 1 1 . 1 1 27 27 HIS HA H 27 4.930 4.930 5.091 -0.161 18518 148 1 1 . 1 1 27 27 HIS CA C 27 53.054 53.054 52.925 0.130 18518 149 1 1 . 1 1 27 27 HIS CB C 27 30.747 30.747 29.502 1.245 18518 150 1 1 . 1 1 27 27 HIS H H 27 8.284 8.284 8.135 0.149 18518 151 1 1 . 1 1 28 28 PRO HA H 28 4.581 4.581 4.561 0.020 18518 152 1 1 . 1 1 28 28 PRO CA C 28 64.919 64.919 64.586 0.333 18518 153 1 1 . 1 1 28 28 PRO CB C 28 32.455 32.455 32.204 0.251 18518 154 1 1 . 1 1 29 29 THR N N 29 107.011 107.011 107.788 -0.777 18518 155 1 1 . 1 1 29 29 THR HA H 29 4.599 4.599 4.368 0.231 18518 156 1 1 . 1 1 29 29 THR C C 29 172.884 172.884 173.788 -0.904 18518 157 1 1 . 1 1 29 29 THR CA C 29 60.810 60.810 61.551 -0.741 18518 158 1 1 . 1 1 29 29 THR CB C 29 68.531 68.531 68.493 0.037 18518 159 1 1 . 1 1 29 29 THR H H 29 7.890 7.890 8.402 -0.512 18518 160 1 1 . 1 1 30 30 LYS N N 30 117.679 117.679 121.218 -3.539 18518 161 1 1 . 1 1 30 30 LYS HA H 30 4.858 4.858 5.077 -0.219 18518 162 1 1 . 1 1 30 30 LYS C C 30 174.310 174.310 174.549 -0.239 18518 163 1 1 . 1 1 30 30 LYS CA C 30 53.751 53.751 53.830 -0.079 18518 164 1 1 . 1 1 30 30 LYS CB C 30 35.804 35.804 36.059 -0.255 18518 165 1 1 . 1 1 30 30 LYS H H 30 7.441 7.441 7.612 -0.171 18518 166 1 1 . 1 1 31 31 ILE N N 31 122.849 122.849 122.951 -0.102 18518 167 1 1 . 1 1 31 31 ILE HA H 31 4.105 4.105 4.386 -0.281 18518 168 1 1 . 1 1 31 31 ILE CA C 31 54.801 54.801 56.120 -1.319 18518 169 1 1 . 1 1 31 31 ILE CB C 31 38.265 38.265 38.630 -0.365 18518 170 1 1 . 1 1 31 31 ILE H H 31 9.304 9.304 8.891 0.413 18518 171 1 1 . 1 1 32 32 PRO HA H 32 5.159 5.159 4.955 0.204 18518 172 1 1 . 1 1 32 32 PRO C C 32 174.164 174.164 175.661 -1.497 18518 173 1 1 . 1 1 32 32 PRO CA C 32 61.503 61.503 61.793 -0.290 18518 174 1 1 . 1 1 32 32 PRO CB C 32 31.145 31.145 30.628 0.517 18518 175 1 1 . 1 1 33 33 VAL N N 33 125.606 125.606 126.162 -0.556 18518 176 1 1 . 1 1 33 33 VAL HA H 33 5.213 5.213 4.931 0.282 18518 177 1 1 . 1 1 33 33 VAL C C 33 173.654 173.654 174.035 -0.381 18518 178 1 1 . 1 1 33 33 VAL CA C 33 60.044 60.044 59.685 0.359 18518 179 1 1 . 1 1 33 33 VAL CB C 33 35.604 35.604 35.879 -0.275 18518 180 1 1 . 1 1 33 33 VAL H H 33 9.424 9.424 8.454 0.970 18518 181 1 1 . 1 1 34 34 ILE N N 34 128.241 128.241 129.140 -0.899 18518 182 1 1 . 1 1 34 34 ILE HA H 34 4.833 4.833 4.631 0.202 18518 183 1 1 . 1 1 34 34 ILE C C 34 175.605 175.605 174.954 0.651 18518 184 1 1 . 1 1 34 34 ILE CA C 34 56.765 56.765 58.522 -1.756 18518 185 1 1 . 1 1 34 34 ILE CB C 34 36.799 36.799 37.969 -1.170 18518 186 1 1 . 1 1 34 34 ILE H H 34 8.721 8.721 8.895 -0.174 18518 187 1 1 . 1 1 35 35 ILE N N 35 125.650 125.650 128.187 -2.537 18518 188 1 1 . 1 1 35 35 ILE HA H 35 4.836 4.836 4.587 0.249 18518 189 1 1 . 1 1 35 35 ILE C C 35 174.887 174.887 174.311 0.576 18518 190 1 1 . 1 1 35 35 ILE CA C 35 60.945 60.945 60.298 0.647 18518 191 1 1 . 1 1 35 35 ILE CB C 35 39.210 39.210 39.504 -0.294 18518 192 1 1 . 1 1 35 35 ILE H H 35 9.034 9.034 8.875 0.159 18518 193 1 1 . 1 1 36 36 GLU N N 36 122.657 122.657 127.333 -4.676 18518 194 1 1 . 1 1 36 36 GLU HA H 36 4.861 4.861 4.881 -0.020 18518 195 1 1 . 1 1 36 36 GLU C C 36 173.848 173.848 174.696 -0.848 18518 196 1 1 . 1 1 36 36 GLU CA C 36 53.932 53.932 53.882 0.050 18518 197 1 1 . 1 1 36 36 GLU CB C 36 35.282 35.282 34.487 0.795 18518 198 1 1 . 1 1 36 36 GLU H H 36 8.303 8.303 8.647 -0.344 18518 199 1 1 . 1 1 37 37 ARG N N 37 123.228 123.228 126.379 -3.151 18518 200 1 1 . 1 1 37 37 ARG HA H 37 2.726 2.726 3.656 -0.930 18518 201 1 1 . 1 1 37 37 ARG C C 37 176.359 176.359 176.003 0.356 18518 202 1 1 . 1 1 37 37 ARG CA C 37 56.359 56.359 56.339 0.020 18518 203 1 1 . 1 1 37 37 ARG CB C 37 31.341 31.341 30.830 0.511 18518 204 1 1 . 1 1 37 37 ARG H H 37 8.856 8.856 8.706 0.150 18518 205 1 1 . 1 1 38 38 TYR N N 38 128.981 128.981 128.217 0.764 18518 206 1 1 . 1 1 38 38 TYR HA H 38 4.352 4.352 4.433 -0.081 18518 207 1 1 . 1 1 38 38 TYR C C 38 177.316 177.316 176.879 0.437 18518 208 1 1 . 1 1 38 38 TYR CA C 38 57.712 57.712 57.501 0.211 18518 209 1 1 . 1 1 38 38 TYR CB C 38 39.472 39.472 40.038 -0.566 18518 210 1 1 . 1 1 38 38 TYR H H 38 8.628 8.628 8.258 0.370 18518 211 1 1 . 1 1 39 39 LYS N N 39 130.635 130.635 127.004 3.631 18518 212 1 1 . 1 1 39 39 LYS HA H 39 3.822 3.822 3.825 -0.003 18518 213 1 1 . 1 1 39 39 LYS CA C 39 58.887 58.887 58.089 0.798 18518 214 1 1 . 1 1 39 39 LYS CB C 39 31.771 31.771 31.639 0.132 18518 215 1 1 . 1 1 39 39 LYS H H 39 8.594 8.594 8.695 -0.101 18518 216 1 1 . 1 1 40 40 GLY C C 40 173.447 173.447 173.159 0.288 18518 217 1 1 . 1 1 40 40 GLY CA C 40 44.663 44.663 43.291 1.372 18518 218 1 1 . 1 1 40 40 GLY H H 40 5.188 5.188 5.904 -0.716 18518 219 1 1 . 1 1 41 41 GLU N N 41 122.836 122.836 121.394 1.442 18518 220 1 1 . 1 1 41 41 GLU HA H 41 4.257 4.257 4.221 0.036 18518 221 1 1 . 1 1 41 41 GLU C C 41 176.524 176.524 175.722 0.802 18518 222 1 1 . 1 1 41 41 GLU CA C 41 56.525 56.525 56.669 -0.143 18518 223 1 1 . 1 1 41 41 GLU CB C 41 30.985 30.985 28.889 2.096 18518 224 1 1 . 1 1 41 41 GLU H H 41 7.380 7.380 7.410 -0.030 18518 225 1 1 . 1 1 42 42 LYS N N 42 124.040 124.040 125.338 -1.298 18518 226 1 1 . 1 1 42 42 LYS HA H 42 4.675 4.675 4.318 0.357 18518 227 1 1 . 1 1 42 42 LYS C C 42 177.538 177.538 177.982 -0.444 18518 228 1 1 . 1 1 42 42 LYS CA C 42 55.840 55.840 56.997 -1.157 18518 229 1 1 . 1 1 42 42 LYS CB C 42 34.979 34.979 32.817 2.162 18518 230 1 1 . 1 1 42 42 LYS H H 42 9.034 9.034 8.272 0.762 18518 231 1 1 . 1 1 43 43 GLN N N 43 119.259 119.259 119.491 -0.232 18518 232 1 1 . 1 1 43 43 GLN HA H 43 4.542 4.542 4.217 0.325 18518 233 1 1 . 1 1 43 43 GLN C C 43 177.336 177.336 176.339 0.997 18518 234 1 1 . 1 1 43 43 GLN CA C 43 57.673 57.673 57.443 0.230 18518 235 1 1 . 1 1 43 43 GLN CB C 43 30.782 30.782 28.544 2.237 18518 236 1 1 . 1 1 43 43 GLN H H 43 8.435 8.435 8.349 0.086 18518 237 1 1 . 1 1 44 44 LEU N N 44 120.760 120.760 123.601 -2.841 18518 238 1 1 . 1 1 44 44 LEU HA H 44 4.695 4.695 4.589 0.106 18518 239 1 1 . 1 1 44 44 LEU CA C 44 53.245 53.245 52.903 0.342 18518 240 1 1 . 1 1 44 44 LEU CB C 44 43.596 43.596 41.374 2.221 18518 241 1 1 . 1 1 44 44 LEU H H 44 9.126 9.126 7.895 1.231 18518 242 1 1 . 1 1 45 45 PRO HA H 45 4.717 4.717 4.576 0.141 18518 243 1 1 . 1 1 45 45 PRO C C 45 175.797 175.797 176.221 -0.424 18518 244 1 1 . 1 1 45 45 PRO CA C 45 62.111 62.111 62.188 -0.077 18518 245 1 1 . 1 1 45 45 PRO CB C 45 32.592 32.592 32.623 -0.031 18518 246 1 1 . 1 1 46 46 VAL N N 46 119.052 119.052 119.747 -0.695 18518 247 1 1 . 1 1 46 46 VAL HA H 46 3.867 3.867 4.409 -0.542 18518 248 1 1 . 1 1 46 46 VAL C C 46 175.640 175.640 175.875 -0.235 18518 249 1 1 . 1 1 46 46 VAL CA C 46 62.944 62.944 61.280 1.664 18518 250 1 1 . 1 1 46 46 VAL CB C 46 32.799 32.799 33.535 -0.736 18518 251 1 1 . 1 1 46 46 VAL H H 46 8.543 8.543 8.228 0.315 18518 252 1 1 . 1 1 47 47 LEU N N 47 130.203 130.203 128.664 1.539 18518 253 1 1 . 1 1 47 47 LEU HA H 47 4.309 4.309 4.459 -0.150 18518 254 1 1 . 1 1 47 47 LEU C C 47 176.198 176.198 177.271 -1.073 18518 255 1 1 . 1 1 47 47 LEU CA C 47 55.006 55.006 55.292 -0.286 18518 256 1 1 . 1 1 47 47 LEU CB C 47 43.832 43.832 42.420 1.412 18518 257 1 1 . 1 1 47 47 LEU H H 47 7.799 7.799 8.348 -0.549 18518 258 1 1 . 1 1 48 48 ASP N N 48 122.403 122.403 122.193 0.210 18518 259 1 1 . 1 1 48 48 ASP HA H 48 4.263 4.263 4.509 -0.246 18518 260 1 1 . 1 1 48 48 ASP C C 48 175.294 175.294 176.139 -0.845 18518 261 1 1 . 1 1 48 48 ASP CA C 48 55.832 55.832 55.939 -0.107 18518 262 1 1 . 1 1 48 48 ASP CB C 48 40.184 40.184 41.337 -1.153 18518 263 1 1 . 1 1 48 48 ASP H H 48 8.780 8.780 8.476 0.304 18518 264 1 1 . 1 1 49 49 LYS N N 49 119.569 119.569 116.084 3.485 18518 265 1 1 . 1 1 49 49 LYS HA H 49 4.585 4.585 4.598 -0.013 18518 266 1 1 . 1 1 49 49 LYS C C 49 174.678 174.678 175.513 -0.835 18518 267 1 1 . 1 1 49 49 LYS CA C 49 53.652 53.652 55.285 -1.633 18518 268 1 1 . 1 1 49 49 LYS CB C 49 35.945 35.945 34.814 1.131 18518 269 1 1 . 1 1 49 49 LYS H H 49 7.280 7.280 7.534 -0.254 18518 270 1 1 . 1 1 50 50 THR N N 50 110.862 110.862 113.967 -3.105 18518 271 1 1 . 1 1 50 50 THR HA H 50 4.811 4.811 4.834 -0.023 18518 272 1 1 . 1 1 50 50 THR C C 50 172.425 172.425 173.880 -1.455 18518 273 1 1 . 1 1 50 50 THR CA C 50 62.645 62.645 62.278 0.367 18518 274 1 1 . 1 1 50 50 THR CB C 50 71.648 71.648 70.495 1.153 18518 275 1 1 . 1 1 50 50 THR H H 50 8.042 8.042 8.264 -0.222 18518 276 1 1 . 1 1 51 51 LYS N N 51 120.008 120.008 123.559 -3.551 18518 277 1 1 . 1 1 51 51 LYS HA H 51 4.625 4.625 4.396 0.229 18518 278 1 1 . 1 1 51 51 LYS C C 51 175.082 175.082 175.416 -0.334 18518 279 1 1 . 1 1 51 51 LYS CA C 51 54.704 54.704 56.418 -1.714 18518 280 1 1 . 1 1 51 51 LYS CB C 51 32.376 32.376 32.624 -0.248 18518 281 1 1 . 1 1 51 51 LYS H H 51 7.119 7.119 7.696 -0.577 18518 282 1 1 . 1 1 52 52 PHE N N 52 122.640 122.640 123.315 -0.675 18518 283 1 1 . 1 1 52 52 PHE HA H 52 5.337 5.337 4.784 0.553 18518 284 1 1 . 1 1 52 52 PHE C C 52 174.213 174.213 174.837 -0.624 18518 285 1 1 . 1 1 52 52 PHE CA C 52 56.611 56.611 56.425 0.186 18518 286 1 1 . 1 1 52 52 PHE CB C 52 43.140 43.140 42.753 0.387 18518 287 1 1 . 1 1 52 52 PHE H H 52 9.709 9.709 9.094 0.615 18518 288 1 1 . 1 1 53 53 LEU N N 53 122.157 122.157 123.127 -0.970 18518 289 1 1 . 1 1 53 53 LEU HA H 53 4.947 4.947 4.899 0.048 18518 290 1 1 . 1 1 53 53 LEU C C 53 175.769 175.769 175.872 -0.103 18518 291 1 1 . 1 1 53 53 LEU CA C 53 52.957 52.957 53.817 -0.860 18518 292 1 1 . 1 1 53 53 LEU CB C 53 44.415 44.415 43.549 0.866 18518 293 1 1 . 1 1 53 53 LEU H H 53 8.959 8.959 8.472 0.487 18518 294 1 1 . 1 1 54 54 VAL N N 54 124.919 124.919 121.879 3.040 18518 295 1 1 . 1 1 54 54 VAL HA H 54 4.559 4.559 4.808 -0.249 18518 296 1 1 . 1 1 54 54 VAL CA C 54 59.130 59.130 58.149 0.981 18518 297 1 1 . 1 1 54 54 VAL CB C 54 34.968 34.968 33.920 1.048 18518 298 1 1 . 1 1 54 54 VAL H H 54 8.922 8.922 8.458 0.464 18518 299 1 1 . 1 1 55 55 PRO HA H 55 4.441 4.441 5.020 -0.579 18518 300 1 1 . 1 1 55 55 PRO C C 55 176.594 176.594 178.291 -1.697 18518 301 1 1 . 1 1 55 55 PRO CA C 55 64.315 64.315 62.144 2.171 18518 302 1 1 . 1 1 55 55 PRO CB C 55 32.665 32.665 32.839 -0.174 18518 303 1 1 . 1 1 56 56 ASP N N 56 120.522 120.522 123.301 -2.779 18518 304 1 1 . 1 1 56 56 ASP HA H 56 3.862 3.862 4.236 -0.374 18518 305 1 1 . 1 1 56 56 ASP C C 56 175.809 175.809 176.626 -0.817 18518 306 1 1 . 1 1 56 56 ASP CA C 56 56.749 56.749 57.417 -0.668 18518 307 1 1 . 1 1 56 56 ASP CB C 56 40.510 40.510 40.346 0.164 18518 308 1 1 . 1 1 56 56 ASP H H 56 8.347 8.347 8.430 -0.083 18518 309 1 1 . 1 1 57 57 HIS N N 57 113.482 113.482 115.847 -2.365 18518 310 1 1 . 1 1 57 57 HIS HA H 57 4.720 4.720 4.513 0.207 18518 311 1 1 . 1 1 57 57 HIS C C 57 176.507 176.507 174.780 1.727 18518 312 1 1 . 1 1 57 57 HIS CA C 57 55.589 55.589 55.657 -0.068 18518 313 1 1 . 1 1 57 57 HIS CB C 57 30.643 30.643 29.078 1.565 18518 314 1 1 . 1 1 57 57 HIS H H 57 7.557 7.557 8.309 -0.752 18518 315 1 1 . 1 1 58 58 VAL N N 58 123.279 123.279 121.136 2.143 18518 316 1 1 . 1 1 58 58 VAL HA H 58 3.836 3.836 4.086 -0.250 18518 317 1 1 . 1 1 58 58 VAL C C 58 175.019 175.019 174.251 0.768 18518 318 1 1 . 1 1 58 58 VAL CA C 58 62.823 62.823 60.346 2.477 18518 319 1 1 . 1 1 58 58 VAL CB C 58 32.310 32.310 34.644 -2.334 18518 320 1 1 . 1 1 58 58 VAL H H 58 7.345 7.345 7.821 -0.476 18518 321 1 1 . 1 1 59 59 ASN N N 59 123.781 123.781 119.749 4.032 18518 322 1 1 . 1 1 59 59 ASN HA H 59 5.126 5.126 5.182 -0.056 18518 323 1 1 . 1 1 59 59 ASN C C 59 176.558 176.558 176.044 0.514 18518 324 1 1 . 1 1 59 59 ASN CA C 59 51.485 51.485 51.314 0.171 18518 325 1 1 . 1 1 59 59 ASN CB C 59 40.107 40.107 41.277 -1.170 18518 326 1 1 . 1 1 59 59 ASN H H 59 8.735 8.735 8.146 0.589 18518 327 1 1 . 1 1 60 60 MET N N 60 117.453 117.453 118.457 -1.004 18518 328 1 1 . 1 1 60 60 MET HA H 60 4.395 4.395 4.194 0.201 18518 329 1 1 . 1 1 60 60 MET C C 60 178.144 178.144 178.377 -0.233 18518 330 1 1 . 1 1 60 60 MET CA C 60 57.097 57.097 57.015 0.082 18518 331 1 1 . 1 1 60 60 MET CB C 60 30.140 30.140 30.899 -0.759 18518 332 1 1 . 1 1 60 60 MET H H 60 8.227 8.227 8.183 0.044 18518 333 1 1 . 1 1 61 61 SER N N 61 114.216 114.216 115.540 -1.324 18518 334 1 1 . 1 1 61 61 SER HA H 61 4.111 4.111 4.127 -0.016 18518 335 1 1 . 1 1 61 61 SER C C 61 177.335 177.335 176.910 0.425 18518 336 1 1 . 1 1 61 61 SER CA C 61 61.590 61.590 62.298 -0.708 18518 337 1 1 . 1 1 61 61 SER CB C 61 62.402 62.402 62.598 -0.196 18518 338 1 1 . 1 1 61 61 SER H H 61 8.464 8.464 8.330 0.134 18518 339 1 1 . 1 1 62 62 GLU N N 62 123.004 123.004 120.938 2.066 18518 340 1 1 . 1 1 62 62 GLU HA H 62 4.047 4.047 4.077 -0.030 18518 341 1 1 . 1 1 62 62 GLU C C 62 178.686 178.686 178.947 -0.261 18518 342 1 1 . 1 1 62 62 GLU CA C 62 58.625 58.625 59.111 -0.486 18518 343 1 1 . 1 1 62 62 GLU CB C 62 29.654 29.654 29.546 0.108 18518 344 1 1 . 1 1 62 62 GLU H H 62 7.994 7.994 7.606 0.388 18518 345 1 1 . 1 1 63 63 LEU N N 63 120.818 120.818 122.107 -1.289 18518 346 1 1 . 1 1 63 63 LEU HA H 63 3.965 3.965 4.033 -0.068 18518 347 1 1 . 1 1 63 63 LEU C C 63 178.046 178.046 178.897 -0.851 18518 348 1 1 . 1 1 63 63 LEU CA C 63 57.920 57.920 57.866 0.054 18518 349 1 1 . 1 1 63 63 LEU CB C 63 41.624 41.624 41.527 0.097 18518 350 1 1 . 1 1 63 63 LEU H H 63 8.130 8.130 7.841 0.289 18518 351 1 1 . 1 1 64 64 ILE N N 64 118.528 118.528 119.470 -0.942 18518 352 1 1 . 1 1 64 64 ILE HA H 64 3.369 3.369 3.700 -0.331 18518 353 1 1 . 1 1 64 64 ILE C C 64 177.127 177.127 178.093 -0.966 18518 354 1 1 . 1 1 64 64 ILE CA C 64 66.678 66.678 64.852 1.826 18518 355 1 1 . 1 1 64 64 ILE CB C 64 38.444 38.444 36.518 1.926 18518 356 1 1 . 1 1 64 64 ILE H H 64 8.488 8.488 8.689 -0.201 18518 357 1 1 . 1 1 65 65 LYS N N 65 118.336 118.336 120.886 -2.550 18518 358 1 1 . 1 1 65 65 LYS HA H 65 3.701 3.701 4.033 -0.332 18518 359 1 1 . 1 1 65 65 LYS C C 65 179.291 179.291 179.340 -0.049 18518 360 1 1 . 1 1 65 65 LYS CA C 65 60.440 60.440 59.477 0.963 18518 361 1 1 . 1 1 65 65 LYS CB C 65 32.371 32.371 31.945 0.426 18518 362 1 1 . 1 1 65 65 LYS H H 65 7.347 7.347 7.824 -0.477 18518 363 1 1 . 1 1 66 66 ILE N N 66 120.171 120.171 121.246 -1.075 18518 364 1 1 . 1 1 66 66 ILE HA H 66 3.578 3.578 3.717 -0.139 18518 365 1 1 . 1 1 66 66 ILE C C 66 178.873 178.873 178.089 0.784 18518 366 1 1 . 1 1 66 66 ILE CA C 66 65.160 65.160 65.656 -0.496 18518 367 1 1 . 1 1 66 66 ILE CB C 66 38.633 38.633 38.084 0.549 18518 368 1 1 . 1 1 66 66 ILE H H 66 7.901 7.901 8.114 -0.213 18518 369 1 1 . 1 1 67 67 ILE N N 67 121.185 121.185 120.367 0.818 18518 370 1 1 . 1 1 67 67 ILE HA H 67 3.446 3.446 3.584 -0.138 18518 371 1 1 . 1 1 67 67 ILE C C 67 177.150 177.150 177.828 -0.678 18518 372 1 1 . 1 1 67 67 ILE CA C 67 62.806 62.806 64.472 -1.666 18518 373 1 1 . 1 1 67 67 ILE CB C 67 34.995 34.995 37.262 -2.267 18518 374 1 1 . 1 1 67 67 ILE H H 67 8.290 8.290 8.094 0.196 18518 375 1 1 . 1 1 68 68 ARG N N 68 119.173 119.173 119.030 0.143 18518 376 1 1 . 1 1 68 68 ARG HA H 68 2.931 2.931 3.764 -0.833 18518 377 1 1 . 1 1 68 68 ARG C C 68 178.496 178.496 178.695 -0.199 18518 378 1 1 . 1 1 68 68 ARG CA C 68 60.636 60.636 59.813 0.823 18518 379 1 1 . 1 1 68 68 ARG CB C 68 30.440 30.440 29.823 0.617 18518 380 1 1 . 1 1 68 68 ARG H H 68 8.438 8.438 8.343 0.095 18518 381 1 1 . 1 1 69 69 ARG N N 69 116.511 116.511 119.800 -3.289 18518 382 1 1 . 1 1 69 69 ARG HA H 69 4.134 4.134 3.968 0.166 18518 383 1 1 . 1 1 69 69 ARG C C 69 180.262 180.262 179.088 1.174 18518 384 1 1 . 1 1 69 69 ARG CA C 69 58.707 58.707 59.474 -0.767 18518 385 1 1 . 1 1 69 69 ARG CB C 69 29.953 29.953 30.260 -0.307 18518 386 1 1 . 1 1 69 69 ARG H H 69 7.497 7.497 8.402 -0.905 18518 387 1 1 . 1 1 70 70 ARG N N 70 123.297 123.297 119.443 3.854 18518 388 1 1 . 1 1 70 70 ARG HA H 70 4.016 4.016 4.136 -0.120 18518 389 1 1 . 1 1 70 70 ARG C C 70 178.700 178.700 178.206 0.494 18518 390 1 1 . 1 1 70 70 ARG CA C 70 59.460 59.460 58.635 0.825 18518 391 1 1 . 1 1 70 70 ARG CB C 70 30.312 30.312 29.876 0.436 18518 392 1 1 . 1 1 70 70 ARG H H 70 8.075 8.075 7.915 0.160 18518 393 1 1 . 1 1 71 71 LEU N N 71 116.829 116.829 119.830 -3.001 18518 394 1 1 . 1 1 71 71 LEU HA H 71 4.065 4.065 4.273 -0.208 18518 395 1 1 . 1 1 71 71 LEU C C 71 174.956 174.956 175.934 -0.978 18518 396 1 1 . 1 1 71 71 LEU CA C 71 55.126 55.126 54.758 0.368 18518 397 1 1 . 1 1 71 71 LEU CB C 71 43.246 43.246 42.585 0.661 18518 398 1 1 . 1 1 71 71 LEU H H 71 7.719 7.719 8.155 -0.436 18518 399 1 1 . 1 1 72 72 GLN N N 72 114.991 114.991 115.220 -0.229 18518 400 1 1 . 1 1 72 72 GLN HA H 72 3.836 3.836 3.885 -0.049 18518 401 1 1 . 1 1 72 72 GLN C C 72 175.683 175.683 174.993 0.690 18518 402 1 1 . 1 1 72 72 GLN CA C 72 56.325 56.325 56.041 0.284 18518 403 1 1 . 1 1 72 72 GLN CB C 72 26.004 26.004 25.648 0.356 18518 404 1 1 . 1 1 72 72 GLN H H 72 7.744 7.744 7.485 0.259 18518 405 1 1 . 1 1 73 73 LEU N N 73 115.045 115.045 119.649 -4.604 18518 406 1 1 . 1 1 73 73 LEU HA H 73 4.236 4.236 4.018 0.218 18518 407 1 1 . 1 1 73 73 LEU C C 73 178.762 178.762 177.197 1.565 18518 408 1 1 . 1 1 73 73 LEU CA C 73 54.386 54.386 55.028 -0.642 18518 409 1 1 . 1 1 73 73 LEU CB C 73 42.091 42.091 41.472 0.619 18518 410 1 1 . 1 1 73 73 LEU H H 73 7.500 7.500 7.522 -0.022 18518 411 1 1 . 1 1 74 74 ASN N N 74 121.700 121.700 123.846 -2.146 18518 412 1 1 . 1 1 74 74 ASN HA H 74 4.690 4.690 4.610 0.080 18518 413 1 1 . 1 1 74 74 ASN C C 74 176.617 176.617 175.691 0.926 18518 414 1 1 . 1 1 74 74 ASN CA C 74 52.685 52.685 53.462 -0.777 18518 415 1 1 . 1 1 74 74 ASN CB C 74 39.598 39.598 39.488 0.110 18518 416 1 1 . 1 1 74 74 ASN H H 74 9.045 9.045 8.524 0.521 18518 417 1 1 . 1 1 75 75 ALA N N 75 123.952 123.952 123.021 0.931 18518 418 1 1 . 1 1 75 75 ALA HA H 75 3.964 3.964 4.350 -0.386 18518 419 1 1 . 1 1 75 75 ALA C C 75 178.131 178.131 177.728 0.403 18518 420 1 1 . 1 1 75 75 ALA CA C 75 54.868 54.868 53.401 1.467 18518 421 1 1 . 1 1 75 75 ALA CB C 75 18.718 18.718 19.235 -0.517 18518 422 1 1 . 1 1 75 75 ALA H H 75 8.784 8.784 8.409 0.375 18518 423 1 1 . 1 1 76 76 ASN N N 76 112.295 112.295 117.283 -4.988 18518 424 1 1 . 1 1 76 76 ASN HA H 76 4.580 4.580 4.613 -0.033 18518 425 1 1 . 1 1 76 76 ASN C C 76 175.448 175.448 175.355 0.093 18518 426 1 1 . 1 1 76 76 ASN CA C 76 53.214 53.214 53.703 -0.489 18518 427 1 1 . 1 1 76 76 ASN CB C 76 38.320 38.320 38.337 -0.016 18518 428 1 1 . 1 1 76 76 ASN H H 76 8.391 8.391 8.633 -0.242 18518 429 1 1 . 1 1 77 77 GLN N N 77 120.577 120.577 119.247 1.330 18518 430 1 1 . 1 1 77 77 GLN HA H 77 4.273 4.273 4.679 -0.406 18518 431 1 1 . 1 1 77 77 GLN C C 77 175.045 175.045 173.585 1.460 18518 432 1 1 . 1 1 77 77 GLN CA C 77 55.805 55.805 55.180 0.625 18518 433 1 1 . 1 1 77 77 GLN CB C 77 30.157 30.157 31.197 -1.040 18518 434 1 1 . 1 1 77 77 GLN H H 77 7.552 7.552 7.537 0.015 18518 435 1 1 . 1 1 78 78 ALA N N 78 130.670 130.670 123.635 7.035 18518 436 1 1 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.677 -0.506 18518 437 1 1 . 1 1 78 78 ALA C C 78 176.512 176.512 175.332 1.180 18518 438 1 1 . 1 1 78 78 ALA CA C 78 52.842 52.842 51.291 1.551 18518 439 1 1 . 1 1 78 78 ALA CB C 78 20.060 20.060 21.550 -1.490 18518 440 1 1 . 1 1 78 78 ALA H H 78 8.799 8.799 8.628 0.171 18518 441 1 1 . 1 1 79 79 PHE N N 79 119.325 119.325 116.666 2.659 18518 442 1 1 . 1 1 79 79 PHE HA H 79 4.434 4.434 4.871 -0.437 18518 443 1 1 . 1 1 79 79 PHE C C 79 171.726 171.726 172.503 -0.777 18518 444 1 1 . 1 1 79 79 PHE CA C 79 59.145 59.145 56.602 2.543 18518 445 1 1 . 1 1 79 79 PHE CB C 79 42.171 42.171 41.740 0.431 18518 446 1 1 . 1 1 79 79 PHE H H 79 7.664 7.664 8.163 -0.499 18518 447 1 1 . 1 1 80 80 PHE N N 80 126.314 126.314 117.373 8.941 18518 448 1 1 . 1 1 80 80 PHE HA H 80 4.392 4.392 4.556 -0.164 18518 449 1 1 . 1 1 80 80 PHE C C 80 177.169 177.169 173.349 3.820 18518 450 1 1 . 1 1 80 80 PHE CA C 80 56.653 56.653 56.217 0.437 18518 451 1 1 . 1 1 80 80 PHE CB C 80 41.933 41.933 43.267 -1.334 18518 452 1 1 . 1 1 80 80 PHE H H 80 8.508 8.508 8.686 -0.178 18518 453 1 1 . 1 1 81 81 LEU N N 81 121.426 121.426 121.722 -0.296 18518 454 1 1 . 1 1 81 81 LEU HA H 81 4.851 4.851 5.067 -0.216 18518 455 1 1 . 1 1 81 81 LEU C C 81 174.488 174.488 174.942 -0.454 18518 456 1 1 . 1 1 81 81 LEU CA C 81 53.197 53.197 54.050 -0.854 18518 457 1 1 . 1 1 81 81 LEU CB C 81 45.100 45.100 44.825 0.275 18518 458 1 1 . 1 1 81 81 LEU H H 81 8.229 8.229 8.490 -0.261 18518 459 1 1 . 1 1 82 82 LEU N N 82 125.155 125.155 127.361 -2.206 18518 460 1 1 . 1 1 82 82 LEU HA H 82 4.833 4.833 4.555 0.278 18518 461 1 1 . 1 1 82 82 LEU C C 82 177.166 177.166 175.417 1.749 18518 462 1 1 . 1 1 82 82 LEU CA C 82 54.197 54.197 54.061 0.136 18518 463 1 1 . 1 1 82 82 LEU CB C 82 43.442 43.442 43.300 0.142 18518 464 1 1 . 1 1 82 82 LEU H H 82 9.400 9.400 9.245 0.154 18518 465 1 1 . 1 1 83 83 VAL N N 83 123.886 123.886 123.986 -0.100 18518 466 1 1 . 1 1 83 83 VAL HA H 83 4.379 4.379 4.293 0.086 18518 467 1 1 . 1 1 83 83 VAL C C 83 175.810 175.810 176.825 -1.015 18518 468 1 1 . 1 1 83 83 VAL CA C 83 61.677 61.677 62.343 -0.666 18518 469 1 1 . 1 1 83 83 VAL CB C 83 33.758 33.758 31.925 1.833 18518 470 1 1 . 1 1 83 83 VAL H H 83 8.721 8.721 8.654 0.067 18518 471 1 1 . 1 1 84 84 ASN N N 84 126.474 126.474 126.032 0.442 18518 472 1 1 . 1 1 84 84 ASN HA H 84 4.396 4.396 4.529 -0.133 18518 473 1 1 . 1 1 84 84 ASN C C 84 175.164 175.164 175.115 0.049 18518 474 1 1 . 1 1 84 84 ASN CA C 84 54.738 54.738 55.218 -0.480 18518 475 1 1 . 1 1 84 84 ASN CB C 84 37.950 37.950 38.215 -0.265 18518 476 1 1 . 1 1 84 84 ASN H H 84 9.707 9.707 9.525 0.182 18518 477 1 1 . 1 1 85 85 GLY N N 85 101.296 101.296 104.198 -2.902 18518 478 1 1 . 1 1 85 85 GLY C C 85 173.680 173.680 173.148 0.532 18518 479 1 1 . 1 1 85 85 GLY CA C 85 45.603 45.603 44.646 0.957 18518 480 1 1 . 1 1 85 85 GLY H H 85 8.644 8.644 8.194 0.450 18518 481 1 1 . 1 1 86 86 HIS N N 86 117.238 117.238 118.981 -1.743 18518 482 1 1 . 1 1 86 86 HIS HA H 86 5.017 5.017 4.674 0.343 18518 483 1 1 . 1 1 86 86 HIS C C 86 173.841 173.841 173.933 -0.092 18518 484 1 1 . 1 1 86 86 HIS CA C 86 53.796 53.796 54.566 -0.770 18518 485 1 1 . 1 1 86 86 HIS CB C 86 31.280 31.280 32.195 -0.915 18518 486 1 1 . 1 1 86 86 HIS H H 86 7.918 7.918 8.370 -0.452 18518 487 1 1 . 1 1 87 87 SER N N 87 118.179 118.179 120.641 -2.462 18518 488 1 1 . 1 1 87 87 SER HA H 87 4.699 4.699 4.553 0.146 18518 489 1 1 . 1 1 87 87 SER C C 87 175.904 175.904 174.526 1.378 18518 490 1 1 . 1 1 87 87 SER CA C 87 58.271 58.271 58.182 0.089 18518 491 1 1 . 1 1 87 87 SER CB C 87 63.735 63.735 61.431 2.304 18518 492 1 1 . 1 1 87 87 SER H H 87 8.977 8.977 8.809 0.169 18518 493 1 1 . 1 1 88 88 MET N N 88 125.472 125.472 121.299 4.173 18518 494 1 1 . 1 1 88 88 MET HA H 88 4.830 4.830 4.651 0.179 18518 495 1 1 . 1 1 88 88 MET C C 88 176.419 176.419 175.385 1.034 18518 496 1 1 . 1 1 88 88 MET CA C 88 54.899 54.899 55.459 -0.560 18518 497 1 1 . 1 1 88 88 MET CB C 88 33.336 33.336 33.279 0.057 18518 498 1 1 . 1 1 88 88 MET H H 88 9.184 9.184 8.070 1.114 18518 499 1 1 . 1 1 89 89 VAL N N 89 120.747 120.747 121.403 -0.656 18518 500 1 1 . 1 1 89 89 VAL HA H 89 4.232 4.232 4.224 0.008 18518 501 1 1 . 1 1 89 89 VAL C C 89 175.958 175.958 175.393 0.565 18518 502 1 1 . 1 1 89 89 VAL CA C 89 63.154 63.154 61.667 1.487 18518 503 1 1 . 1 1 89 89 VAL CB C 89 31.878 31.878 33.044 -1.166 18518 504 1 1 . 1 1 89 89 VAL H H 89 8.233 8.233 7.694 0.539 18518 505 1 1 . 1 1 90 90 SER N N 90 117.362 117.362 122.089 -4.727 18518 506 1 1 . 1 1 90 90 SER HA H 90 4.590 4.590 4.657 -0.067 18518 507 1 1 . 1 1 90 90 SER C C 90 175.741 175.741 176.079 -0.338 18518 508 1 1 . 1 1 90 90 SER CA C 90 57.717 57.717 57.282 0.435 18518 509 1 1 . 1 1 90 90 SER CB C 90 63.223 63.223 64.296 -1.073 18518 510 1 1 . 1 1 90 90 SER H H 90 8.482 8.482 8.418 0.064 18518 511 1 1 . 1 1 91 91 VAL N N 91 120.466 120.466 124.204 -3.738 18518 512 1 1 . 1 1 91 91 VAL HA H 91 4.047 4.047 3.798 0.249 18518 513 1 1 . 1 1 91 91 VAL C C 91 176.329 176.329 176.208 0.121 18518 514 1 1 . 1 1 91 91 VAL CA C 91 63.492 63.492 64.621 -1.129 18518 515 1 1 . 1 1 91 91 VAL CB C 91 32.568 32.568 31.665 0.904 18518 516 1 1 . 1 1 91 91 VAL H H 91 8.188 8.188 8.826 -0.638 18518 517 1 1 . 1 1 92 92 SER N N 92 116.398 116.398 113.507 2.891 18518 518 1 1 . 1 1 92 92 SER HA H 92 4.636 4.636 4.612 0.024 18518 519 1 1 . 1 1 92 92 SER C C 92 174.159 174.159 174.082 0.077 18518 520 1 1 . 1 1 92 92 SER CA C 92 57.805 57.805 58.758 -0.953 18518 521 1 1 . 1 1 92 92 SER CB C 92 63.046 63.046 63.270 -0.224 18518 522 1 1 . 1 1 92 92 SER H H 92 8.370 8.370 8.213 0.157 18518 523 1 1 . 1 1 93 93 THR N N 93 119.211 119.211 120.471 -1.260 18518 524 1 1 . 1 1 93 93 THR HA H 93 4.484 4.484 4.700 -0.216 18518 525 1 1 . 1 1 93 93 THR CA C 93 60.884 60.884 60.742 0.142 18518 526 1 1 . 1 1 93 93 THR CB C 93 70.609 70.609 68.909 1.700 18518 527 1 1 . 1 1 93 93 THR H H 93 7.416 7.416 7.660 -0.244 18518 528 1 1 . 1 1 94 94 PRO HA H 94 4.440 4.440 4.712 -0.272 18518 529 1 1 . 1 1 94 94 PRO C C 94 178.775 178.775 177.488 1.287 18518 530 1 1 . 1 1 94 94 PRO CA C 94 62.943 62.943 62.398 0.545 18518 531 1 1 . 1 1 94 94 PRO CB C 94 32.649 32.649 32.425 0.224 18518 532 1 1 . 1 1 95 95 ILE N N 95 124.174 124.174 124.182 -0.008 18518 533 1 1 . 1 1 95 95 ILE HA H 95 3.949 3.949 3.872 0.077 18518 534 1 1 . 1 1 95 95 ILE C C 95 176.498 176.498 176.891 -0.393 18518 535 1 1 . 1 1 95 95 ILE CA C 95 63.904 63.904 61.916 1.988 18518 536 1 1 . 1 1 95 95 ILE CB C 95 38.182 38.182 38.134 0.048 18518 537 1 1 . 1 1 95 95 ILE H H 95 9.305 9.305 8.534 0.771 18518 538 1 1 . 1 1 96 96 SER N N 96 116.920 116.920 116.244 0.676 18518 539 1 1 . 1 1 96 96 SER HA H 96 4.029 4.029 4.180 -0.151 18518 540 1 1 . 1 1 96 96 SER C C 96 176.574 176.574 176.653 -0.079 18518 541 1 1 . 1 1 96 96 SER CA C 96 61.356 61.356 62.112 -0.756 18518 542 1 1 . 1 1 96 96 SER CB C 96 61.723 61.723 62.380 -0.657 18518 543 1 1 . 1 1 96 96 SER H H 96 8.335 8.335 8.354 -0.019 18518 544 1 1 . 1 1 97 97 GLU N N 97 123.255 123.255 122.419 0.836 18518 545 1 1 . 1 1 97 97 GLU HA H 97 4.278 4.278 4.193 0.085 18518 546 1 1 . 1 1 97 97 GLU C C 97 179.716 179.716 179.123 0.593 18518 547 1 1 . 1 1 97 97 GLU CA C 97 58.792 58.792 58.868 -0.076 18518 548 1 1 . 1 1 97 97 GLU CB C 97 29.562 29.562 29.163 0.399 18518 549 1 1 . 1 1 97 97 GLU H H 97 7.376 7.376 7.855 -0.479 18518 550 1 1 . 1 1 98 98 VAL N N 98 121.137 121.137 120.266 0.871 18518 551 1 1 . 1 1 98 98 VAL HA H 98 3.802 3.802 3.697 0.105 18518 552 1 1 . 1 1 98 98 VAL C C 98 177.637 177.637 178.129 -0.492 18518 553 1 1 . 1 1 98 98 VAL CA C 98 65.824 65.824 66.049 -0.225 18518 554 1 1 . 1 1 98 98 VAL CB C 98 32.154 32.154 30.848 1.306 18518 555 1 1 . 1 1 98 98 VAL H H 98 7.387 7.387 7.932 -0.545 18518 556 1 1 . 1 1 99 99 TYR N N 99 118.927 118.927 121.598 -2.671 18518 557 1 1 . 1 1 99 99 TYR HA H 99 3.990 3.990 4.045 -0.055 18518 558 1 1 . 1 1 99 99 TYR C C 99 176.081 176.081 177.165 -1.084 18518 559 1 1 . 1 1 99 99 TYR CA C 99 62.223 62.223 61.529 0.694 18518 560 1 1 . 1 1 99 99 TYR CB C 99 38.982 38.982 38.313 0.669 18518 561 1 1 . 1 1 99 99 TYR H H 99 9.048 9.048 8.445 0.603 18518 562 1 1 . 1 1 100 100 GLU N N 100 113.894 113.894 116.500 -2.606 18518 563 1 1 . 1 1 100 100 GLU HA H 100 3.846 3.846 3.633 0.213 18518 564 1 1 . 1 1 100 100 GLU C C 100 177.989 177.989 178.137 -0.148 18518 565 1 1 . 1 1 100 100 GLU CA C 100 59.087 59.087 58.106 0.981 18518 566 1 1 . 1 1 100 100 GLU CB C 100 29.382 29.382 28.812 0.570 18518 567 1 1 . 1 1 100 100 GLU H H 100 7.422 7.422 7.944 -0.522 18518 568 1 1 . 1 1 101 101 SER N N 101 108.991 108.991 113.689 -4.698 18518 569 1 1 . 1 1 101 101 SER HA H 101 4.524 4.524 4.392 0.132 18518 570 1 1 . 1 1 101 101 SER C C 101 176.628 176.628 175.108 1.520 18518 571 1 1 . 1 1 101 101 SER CA C 101 60.349 60.349 60.237 0.112 18518 572 1 1 . 1 1 101 101 SER CB C 101 64.741 64.741 63.908 0.833 18518 573 1 1 . 1 1 101 101 SER H H 101 7.424 7.424 7.830 -0.406 18518 574 1 1 . 1 1 102 102 GLU N N 102 116.533 116.533 119.249 -2.716 18518 575 1 1 . 1 1 102 102 GLU HA H 102 4.744 4.744 4.590 0.154 18518 576 1 1 . 1 1 102 102 GLU C C 102 176.774 176.774 175.434 1.340 18518 577 1 1 . 1 1 102 102 GLU CA C 102 55.581 55.581 55.666 -0.085 18518 578 1 1 . 1 1 102 102 GLU CB C 102 30.697 30.697 31.037 -0.340 18518 579 1 1 . 1 1 102 102 GLU H H 102 8.487 8.487 7.694 0.793 18518 580 1 1 . 1 1 103 103 LYS N N 103 118.370 118.370 119.893 -1.523 18518 581 1 1 . 1 1 103 103 LYS HA H 103 4.178 4.178 4.079 0.099 18518 582 1 1 . 1 1 103 103 LYS C C 103 175.018 175.018 176.678 -1.660 18518 583 1 1 . 1 1 103 103 LYS CA C 103 57.329 57.329 57.076 0.253 18518 584 1 1 . 1 1 103 103 LYS CB C 103 32.186 32.186 31.782 0.404 18518 585 1 1 . 1 1 103 103 LYS H H 103 7.831 7.831 7.625 0.206 18518 586 1 1 . 1 1 104 104 ASP N N 104 123.500 123.500 125.091 -1.591 18518 587 1 1 . 1 1 104 104 ASP HA H 104 4.755 4.755 4.709 0.046 18518 588 1 1 . 1 1 104 104 ASP C C 104 177.383 177.383 177.616 -0.233 18518 589 1 1 . 1 1 104 104 ASP CA C 104 53.846 53.846 54.048 -0.202 18518 590 1 1 . 1 1 104 104 ASP CB C 104 43.411 43.411 42.614 0.797 18518 591 1 1 . 1 1 104 104 ASP H H 104 9.041 9.041 8.237 0.804 18518 592 1 1 . 1 1 105 105 GLU N N 105 125.448 125.448 119.790 5.658 18518 593 1 1 . 1 1 105 105 GLU HA H 105 4.180 4.180 4.122 0.058 18518 594 1 1 . 1 1 105 105 GLU C C 105 177.519 177.519 176.521 0.998 18518 595 1 1 . 1 1 105 105 GLU CA C 105 59.529 59.529 59.073 0.456 18518 596 1 1 . 1 1 105 105 GLU CB C 105 30.044 30.044 29.569 0.475 18518 597 1 1 . 1 1 105 105 GLU H H 105 8.906 8.906 8.851 0.055 18518 598 1 1 . 1 1 106 106 ASP N N 106 118.824 118.824 116.569 2.255 18518 599 1 1 . 1 1 106 106 ASP HA H 106 4.179 4.179 4.611 -0.432 18518 600 1 1 . 1 1 106 106 ASP C C 106 176.223 176.223 176.969 -0.746 18518 601 1 1 . 1 1 106 106 ASP CA C 106 54.756 54.756 53.538 1.218 18518 602 1 1 . 1 1 106 106 ASP CB C 106 39.999 39.999 39.938 0.061 18518 603 1 1 . 1 1 106 106 ASP H H 106 10.036 10.036 8.132 1.904 18518 604 1 1 . 1 1 107 107 GLY N N 107 105.866 105.866 107.796 -1.930 18518 605 1 1 . 1 1 107 107 GLY C C 107 175.136 175.136 173.693 1.443 18518 606 1 1 . 1 1 107 107 GLY CA C 107 45.222 45.222 45.415 -0.193 18518 607 1 1 . 1 1 107 107 GLY H H 107 8.001 8.001 7.873 0.128 18518 608 1 1 . 1 1 108 108 PHE N N 108 123.820 123.820 120.839 2.981 18518 609 1 1 . 1 1 108 108 PHE HA H 108 4.662 4.662 4.804 -0.142 18518 610 1 1 . 1 1 108 108 PHE C C 108 174.899 174.899 174.101 0.798 18518 611 1 1 . 1 1 108 108 PHE CA C 108 60.238 60.238 58.017 2.221 18518 612 1 1 . 1 1 108 108 PHE CB C 108 40.365 40.365 41.390 -1.025 18518 613 1 1 . 1 1 108 108 PHE H H 108 9.912 9.912 8.063 1.849 18518 614 1 1 . 1 1 109 109 LEU N N 109 120.130 120.130 122.707 -2.577 18518 615 1 1 . 1 1 109 109 LEU HA H 109 5.030 5.030 4.877 0.153 18518 616 1 1 . 1 1 109 109 LEU C C 109 173.916 173.916 174.879 -0.963 18518 617 1 1 . 1 1 109 109 LEU CA C 109 53.424 53.424 54.017 -0.593 18518 618 1 1 . 1 1 109 109 LEU CB C 109 45.203 45.203 44.718 0.485 18518 619 1 1 . 1 1 109 109 LEU H H 109 7.997 7.997 8.760 -0.763 18518 620 1 1 . 1 1 110 110 TYR N N 110 126.579 126.579 124.602 1.977 18518 621 1 1 . 1 1 110 110 TYR HA H 110 5.003 5.003 4.753 0.250 18518 622 1 1 . 1 1 110 110 TYR C C 110 176.671 176.671 175.039 1.632 18518 623 1 1 . 1 1 110 110 TYR CA C 110 59.058 59.058 57.888 1.171 18518 624 1 1 . 1 1 110 110 TYR CB C 110 39.556 39.556 41.752 -2.196 18518 625 1 1 . 1 1 110 110 TYR H H 110 9.377 9.377 8.848 0.529 18518 626 1 1 . 1 1 111 111 MET N N 111 119.240 119.240 119.645 -0.405 18518 627 1 1 . 1 1 111 111 MET HA H 111 5.486 5.486 5.273 0.213 18518 628 1 1 . 1 1 111 111 MET C C 111 175.695 175.695 174.348 1.347 18518 629 1 1 . 1 1 111 111 MET CA C 111 54.124 54.124 54.862 -0.738 18518 630 1 1 . 1 1 111 111 MET CB C 111 36.960 36.960 37.488 -0.528 18518 631 1 1 . 1 1 111 111 MET H H 111 9.658 9.658 8.806 0.852 18518 632 1 1 . 1 1 112 112 VAL N N 112 119.865 119.865 117.971 1.894 18518 633 1 1 . 1 1 112 112 VAL HA H 112 5.963 5.963 5.595 0.368 18518 634 1 1 . 1 1 112 112 VAL C C 112 175.058 175.058 174.441 0.617 18518 635 1 1 . 1 1 112 112 VAL CA C 112 58.911 58.911 59.374 -0.463 18518 636 1 1 . 1 1 112 112 VAL CB C 112 36.051 36.051 34.815 1.236 18518 637 1 1 . 1 1 112 112 VAL H H 112 8.794 8.794 9.202 -0.408 18518 638 1 1 . 1 1 113 113 TYR N N 113 119.664 119.664 120.768 -1.104 18518 639 1 1 . 1 1 113 113 TYR HA H 113 6.118 6.118 5.628 0.490 18518 640 1 1 . 1 1 113 113 TYR C C 113 173.375 173.375 173.421 -0.046 18518 641 1 1 . 1 1 113 113 TYR CA C 113 54.153 54.153 55.007 -0.854 18518 642 1 1 . 1 1 113 113 TYR CB C 113 43.312 43.312 41.916 1.396 18518 643 1 1 . 1 1 113 113 TYR H H 113 8.315 8.315 8.428 -0.113 18518 644 1 1 . 1 1 114 114 ALA N N 114 119.763 119.763 121.412 -1.649 18518 645 1 1 . 1 1 114 114 ALA HA H 114 4.800 4.800 5.030 -0.230 18518 646 1 1 . 1 1 114 114 ALA C C 114 176.216 176.216 175.191 1.025 18518 647 1 1 . 1 1 114 114 ALA CA C 114 51.132 51.132 51.995 -0.863 18518 648 1 1 . 1 1 114 114 ALA CB C 114 24.596 24.596 22.401 2.195 18518 649 1 1 . 1 1 114 114 ALA H H 114 8.465 8.465 8.807 -0.342 18518 650 1 1 . 1 1 115 115 SER N N 115 114.763 114.763 115.817 -1.054 18518 651 1 1 . 1 1 115 115 SER HA H 115 4.496 4.496 4.864 -0.368 18518 652 1 1 . 1 1 115 115 SER C C 115 172.671 172.671 173.528 -0.857 18518 653 1 1 . 1 1 115 115 SER CA C 115 58.651 58.651 57.369 1.282 18518 654 1 1 . 1 1 115 115 SER CB C 115 63.526 63.526 61.814 1.712 18518 655 1 1 . 1 1 115 115 SER H H 115 9.915 9.915 8.790 1.125 18518 656 1 1 . 1 1 116 116 GLN N N 116 116.611 116.611 122.606 -5.995 18518 657 1 1 . 1 1 116 116 GLN HA H 116 4.484 4.484 4.680 -0.196 18518 658 1 1 . 1 1 116 116 GLN C C 116 172.733 172.733 173.652 -0.919 18518 659 1 1 . 1 1 116 116 GLN CA C 116 53.926 53.926 55.552 -1.626 18518 660 1 1 . 1 1 116 116 GLN CB C 116 32.358 32.358 29.976 2.382 18518 661 1 1 . 1 1 116 116 GLN H H 116 7.219 7.219 7.937 -0.718 18518 662 1 1 . 1 1 117 117 GLU N N 117 117.623 117.623 120.473 -2.850 18518 663 1 1 . 1 1 117 117 GLU HA H 117 3.287 3.287 3.950 -0.663 18518 664 1 1 . 1 1 117 117 GLU C C 117 175.168 175.168 175.687 -0.519 18518 665 1 1 . 1 1 117 117 GLU CA C 117 56.882 56.882 56.743 0.139 18518 666 1 1 . 1 1 117 117 GLU CB C 117 30.522 30.522 30.103 0.419 18518 667 1 1 . 1 1 117 117 GLU H H 117 7.882 7.882 8.838 -0.956 18518 668 1 1 . 1 1 118 118 THR N N 118 109.820 109.820 112.292 -2.472 18518 669 1 1 . 1 1 118 118 THR HA H 118 4.066 4.066 4.479 -0.413 18518 670 1 1 . 1 1 118 118 THR C C 118 172.355 172.355 173.968 -1.613 18518 671 1 1 . 1 1 118 118 THR CA C 118 60.029 60.029 61.349 -1.320 18518 672 1 1 . 1 1 118 118 THR CB C 118 70.480 70.480 70.082 0.399 18518 673 1 1 . 1 1 118 118 THR H H 118 6.992 6.992 7.574 -0.582 18518 674 1 2 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.376 -0.040 18518 675 1 2 . 1 1 2 2 ALA C C 2 177.974 177.974 177.026 0.948 18518 676 1 2 . 1 1 2 2 ALA CA C 2 52.785 52.785 52.524 0.261 18518 677 1 2 . 1 1 2 2 ALA CB C 2 19.444 19.444 18.997 0.447 18518 678 1 2 . 1 1 3 3 MET N N 3 119.311 119.311 125.035 -5.724 18518 679 1 2 . 1 1 3 3 MET HA H 3 4.451 4.451 4.608 -0.157 18518 680 1 2 . 1 1 3 3 MET C C 3 176.913 176.913 175.324 1.589 18518 681 1 2 . 1 1 3 3 MET CA C 3 55.679 55.679 54.906 0.773 18518 682 1 2 . 1 1 3 3 MET CB C 3 32.590 32.590 34.432 -1.842 18518 683 1 2 . 1 1 3 3 MET H H 3 8.638 8.638 8.221 0.417 18518 684 1 2 . 1 1 4 4 GLY N N 4 110.281 110.281 111.460 -1.179 18518 685 1 2 . 1 1 4 4 GLY C C 4 174.180 174.180 174.104 0.076 18518 686 1 2 . 1 1 4 4 GLY CA C 4 45.495 45.495 44.927 0.568 18518 687 1 2 . 1 1 4 4 GLY H H 4 8.552 8.552 8.397 0.155 18518 688 1 2 . 1 1 5 5 LYS N N 5 120.818 120.818 126.195 -5.377 18518 689 1 2 . 1 1 5 5 LYS HA H 5 4.509 4.509 4.459 0.050 18518 690 1 2 . 1 1 5 5 LYS C C 5 177.605 177.605 176.986 0.619 18518 691 1 2 . 1 1 5 5 LYS CA C 5 56.134 56.134 56.096 0.038 18518 692 1 2 . 1 1 5 5 LYS CB C 5 34.813 34.813 33.163 1.650 18518 693 1 2 . 1 1 5 5 LYS H H 5 8.133 8.133 8.189 -0.056 18518 694 1 2 . 1 1 6 6 THR N N 6 114.781 114.781 113.400 1.381 18518 695 1 2 . 1 1 6 6 THR HA H 6 4.421 4.421 4.263 0.158 18518 696 1 2 . 1 1 6 6 THR C C 6 175.524 175.524 175.809 -0.285 18518 697 1 2 . 1 1 6 6 THR CA C 6 61.127 61.127 60.926 0.201 18518 698 1 2 . 1 1 6 6 THR CB C 6 69.926 69.926 69.782 0.144 18518 699 1 2 . 1 1 6 6 THR H H 6 8.483 8.483 7.915 0.568 18518 700 1 2 . 1 1 7 7 PHE N N 7 125.552 125.552 120.424 5.128 18518 701 1 2 . 1 1 7 7 PHE HA H 7 4.005 4.005 4.097 -0.092 18518 702 1 2 . 1 1 7 7 PHE C C 7 177.397 177.397 177.356 0.041 18518 703 1 2 . 1 1 7 7 PHE CA C 7 63.393 63.393 61.711 1.682 18518 704 1 2 . 1 1 7 7 PHE CB C 7 39.567 39.567 37.879 1.688 18518 705 1 2 . 1 1 7 7 PHE H H 7 10.245 10.245 8.799 1.446 18518 706 1 2 . 1 1 8 8 LYS N N 8 114.053 114.053 119.270 -5.217 18518 707 1 2 . 1 1 8 8 LYS HA H 8 3.835 3.835 4.178 -0.343 18518 708 1 2 . 1 1 8 8 LYS C C 8 175.520 175.520 178.266 -2.746 18518 709 1 2 . 1 1 8 8 LYS CA C 8 59.993 59.993 59.040 0.953 18518 710 1 2 . 1 1 8 8 LYS CB C 8 33.689 33.689 32.084 1.605 18518 711 1 2 . 1 1 8 8 LYS H H 8 8.775 8.775 7.424 1.351 18518 712 1 2 . 1 1 9 9 GLN N N 9 113.516 113.516 116.776 -3.260 18518 713 1 2 . 1 1 9 9 GLN HA H 9 4.149 4.149 4.057 0.092 18518 714 1 2 . 1 1 9 9 GLN C C 9 177.615 177.615 177.994 -0.379 18518 715 1 2 . 1 1 9 9 GLN CA C 9 56.819 56.819 58.330 -1.511 18518 716 1 2 . 1 1 9 9 GLN CB C 9 30.019 30.019 29.008 1.012 18518 717 1 2 . 1 1 9 9 GLN H H 9 7.355 7.355 7.388 -0.033 18518 718 1 2 . 1 1 10 10 ARG N N 10 118.294 118.294 116.384 1.910 18518 719 1 2 . 1 1 10 10 ARG HA H 10 4.302 4.302 4.216 0.086 18518 720 1 2 . 1 1 10 10 ARG C C 10 179.380 179.380 177.400 1.980 18518 721 1 2 . 1 1 10 10 ARG CA C 10 57.268 57.268 57.351 -0.083 18518 722 1 2 . 1 1 10 10 ARG CB C 10 31.642 31.642 30.977 0.665 18518 723 1 2 . 1 1 10 10 ARG H H 10 7.936 7.936 7.903 0.033 18518 724 1 2 . 1 1 11 11 ARG N N 11 121.137 121.137 119.738 1.399 18518 725 1 2 . 1 1 11 11 ARG HA H 11 4.680 4.680 4.930 -0.250 18518 726 1 2 . 1 1 11 11 ARG CA C 11 53.453 53.453 55.049 -1.596 18518 727 1 2 . 1 1 11 11 ARG CB C 11 32.938 32.938 32.579 0.359 18518 728 1 2 . 1 1 11 11 ARG H H 11 7.390 7.390 7.783 -0.393 18518 729 1 2 . 1 1 12 12 THR N N 12 116.819 116.819 119.787 -2.968 18518 730 1 2 . 1 1 12 12 THR HA H 12 4.359 4.359 4.354 0.005 18518 731 1 2 . 1 1 12 12 THR C C 12 174.989 174.989 175.985 -0.996 18518 732 1 2 . 1 1 12 12 THR CA C 12 61.748 61.748 63.227 -1.480 18518 733 1 2 . 1 1 12 12 THR CB C 12 71.068 71.068 70.355 0.713 18518 734 1 2 . 1 1 12 12 THR H H 12 8.953 8.953 8.290 0.663 18518 735 1 2 . 1 1 13 13 PHE N N 13 123.200 123.200 123.628 -0.428 18518 736 1 2 . 1 1 13 13 PHE HA H 13 4.028 4.028 4.249 -0.221 18518 737 1 2 . 1 1 13 13 PHE C C 13 176.029 176.029 177.113 -1.084 18518 738 1 2 . 1 1 13 13 PHE CA C 13 62.864 62.864 62.414 0.450 18518 739 1 2 . 1 1 13 13 PHE CB C 13 39.560 39.560 39.329 0.231 18518 740 1 2 . 1 1 13 13 PHE H H 13 9.284 9.284 8.948 0.336 18518 741 1 2 . 1 1 14 14 GLU N N 14 115.414 115.414 117.540 -2.126 18518 742 1 2 . 1 1 14 14 GLU HA H 14 3.794 3.794 3.893 -0.099 18518 743 1 2 . 1 1 14 14 GLU C C 14 180.081 180.081 179.162 0.919 18518 744 1 2 . 1 1 14 14 GLU CA C 14 60.619 60.619 59.780 0.839 18518 745 1 2 . 1 1 14 14 GLU CB C 14 28.852 28.852 29.127 -0.275 18518 746 1 2 . 1 1 14 14 GLU H H 14 8.973 8.973 8.956 0.017 18518 747 1 2 . 1 1 15 15 GLN N N 15 119.276 119.276 117.916 1.360 18518 748 1 2 . 1 1 15 15 GLN HA H 15 4.000 4.000 4.098 -0.098 18518 749 1 2 . 1 1 15 15 GLN C C 15 177.978 177.978 178.581 -0.603 18518 750 1 2 . 1 1 15 15 GLN CA C 15 58.835 58.835 58.476 0.359 18518 751 1 2 . 1 1 15 15 GLN CB C 15 29.370 29.370 28.552 0.818 18518 752 1 2 . 1 1 15 15 GLN H H 15 7.756 7.756 7.887 -0.131 18518 753 1 2 . 1 1 16 16 ARG N N 16 121.336 121.336 121.380 -0.044 18518 754 1 2 . 1 1 16 16 ARG HA H 16 4.270 4.270 4.159 0.111 18518 755 1 2 . 1 1 16 16 ARG C C 16 177.416 177.416 178.718 -1.302 18518 756 1 2 . 1 1 16 16 ARG CA C 16 61.375 61.375 59.837 1.538 18518 757 1 2 . 1 1 16 16 ARG CB C 16 30.605 30.605 30.163 0.442 18518 758 1 2 . 1 1 16 16 ARG H H 16 8.645 8.645 8.180 0.465 18518 759 1 2 . 1 1 17 17 VAL N N 17 117.630 117.630 116.704 0.926 18518 760 1 2 . 1 1 17 17 VAL HA H 17 3.857 3.857 3.795 0.062 18518 761 1 2 . 1 1 17 17 VAL C C 17 179.748 179.748 177.601 2.147 18518 762 1 2 . 1 1 17 17 VAL CA C 17 65.726 65.726 65.520 0.206 18518 763 1 2 . 1 1 17 17 VAL CB C 17 32.194 32.194 31.278 0.916 18518 764 1 2 . 1 1 17 17 VAL H H 17 8.373 8.373 8.125 0.248 18518 765 1 2 . 1 1 18 18 GLU N N 18 120.864 120.864 120.481 0.383 18518 766 1 2 . 1 1 18 18 GLU HA H 18 4.302 4.302 3.924 0.378 18518 767 1 2 . 1 1 18 18 GLU C C 18 177.728 177.728 178.299 -0.571 18518 768 1 2 . 1 1 18 18 GLU CA C 18 58.486 58.486 59.782 -1.296 18518 769 1 2 . 1 1 18 18 GLU CB C 18 29.382 29.382 29.380 0.002 18518 770 1 2 . 1 1 18 18 GLU H H 18 7.368 7.368 7.887 -0.519 18518 771 1 2 . 1 1 19 19 ASP N N 19 121.425 121.425 120.124 1.301 18518 772 1 2 . 1 1 19 19 ASP HA H 19 4.434 4.434 4.430 0.004 18518 773 1 2 . 1 1 19 19 ASP C C 19 179.978 179.978 178.617 1.361 18518 774 1 2 . 1 1 19 19 ASP CA C 19 57.422 57.422 57.441 -0.019 18518 775 1 2 . 1 1 19 19 ASP CB C 19 41.287 41.287 41.173 0.114 18518 776 1 2 . 1 1 19 19 ASP H H 19 8.671 8.671 8.092 0.579 18518 777 1 2 . 1 1 20 20 VAL N N 20 119.730 119.730 120.159 -0.429 18518 778 1 2 . 1 1 20 20 VAL HA H 20 3.205 3.205 3.315 -0.110 18518 779 1 2 . 1 1 20 20 VAL C C 20 176.284 176.284 177.674 -1.390 18518 780 1 2 . 1 1 20 20 VAL CA C 20 66.315 66.315 67.001 -0.686 18518 781 1 2 . 1 1 20 20 VAL CB C 20 31.107 31.107 31.718 -0.611 18518 782 1 2 . 1 1 20 20 VAL H H 20 7.999 7.999 7.852 0.147 18518 783 1 2 . 1 1 21 21 ARG N N 21 121.455 121.455 119.565 1.890 18518 784 1 2 . 1 1 21 21 ARG HA H 21 3.814 3.814 3.949 -0.135 18518 785 1 2 . 1 1 21 21 ARG C C 21 180.120 180.120 178.575 1.545 18518 786 1 2 . 1 1 21 21 ARG CA C 21 59.830 59.830 58.858 0.972 18518 787 1 2 . 1 1 21 21 ARG CB C 21 29.946 29.946 29.047 0.898 18518 788 1 2 . 1 1 21 21 ARG H H 21 8.098 8.098 8.214 -0.116 18518 789 1 2 . 1 1 22 22 LEU N N 22 117.826 117.826 120.911 -3.085 18518 790 1 2 . 1 1 22 22 LEU HA H 22 4.049 4.049 4.069 -0.020 18518 791 1 2 . 1 1 22 22 LEU C C 22 180.115 180.115 178.540 1.575 18518 792 1 2 . 1 1 22 22 LEU CA C 22 57.790 57.790 57.906 -0.116 18518 793 1 2 . 1 1 22 22 LEU CB C 22 42.142 42.142 41.403 0.739 18518 794 1 2 . 1 1 22 22 LEU H H 22 8.207 8.207 7.909 0.298 18518 795 1 2 . 1 1 23 23 ILE N N 23 121.450 121.450 119.436 2.014 18518 796 1 2 . 1 1 23 23 ILE HA H 23 4.013 4.013 3.747 0.266 18518 797 1 2 . 1 1 23 23 ILE C C 23 178.149 178.149 177.696 0.453 18518 798 1 2 . 1 1 23 23 ILE CA C 23 62.171 62.171 63.346 -1.175 18518 799 1 2 . 1 1 23 23 ILE CB C 23 38.106 38.106 37.909 0.197 18518 800 1 2 . 1 1 23 23 ILE H H 23 8.105 8.105 7.945 0.160 18518 801 1 2 . 1 1 24 24 ARG N N 24 121.139 121.139 119.155 1.984 18518 802 1 2 . 1 1 24 24 ARG HA H 24 3.987 3.987 4.185 -0.198 18518 803 1 2 . 1 1 24 24 ARG C C 24 178.702 178.702 178.811 -0.109 18518 804 1 2 . 1 1 24 24 ARG CA C 24 57.718 57.718 58.991 -1.273 18518 805 1 2 . 1 1 24 24 ARG CB C 24 28.769 28.769 29.641 -0.872 18518 806 1 2 . 1 1 24 24 ARG H H 24 8.601 8.601 8.486 0.115 18518 807 1 2 . 1 1 25 25 GLU N N 25 118.054 118.054 120.164 -2.110 18518 808 1 2 . 1 1 25 25 GLU HA H 25 4.026 4.026 4.112 -0.086 18518 809 1 2 . 1 1 25 25 GLU C C 25 178.492 178.492 178.806 -0.314 18518 810 1 2 . 1 1 25 25 GLU CA C 25 58.780 58.780 58.824 -0.044 18518 811 1 2 . 1 1 25 25 GLU CB C 25 30.001 30.001 29.716 0.285 18518 812 1 2 . 1 1 25 25 GLU H H 25 7.423 7.423 7.761 -0.338 18518 813 1 2 . 1 1 26 26 GLN N N 26 116.350 116.350 116.256 0.094 18518 814 1 2 . 1 1 26 26 GLN HA H 26 3.936 3.936 4.063 -0.127 18518 815 1 2 . 1 1 26 26 GLN C C 26 176.305 176.305 177.106 -0.801 18518 816 1 2 . 1 1 26 26 GLN CA C 26 57.503 57.503 57.481 0.022 18518 817 1 2 . 1 1 26 26 GLN CB C 26 30.207 30.207 29.765 0.442 18518 818 1 2 . 1 1 26 26 GLN H H 26 7.524 7.524 7.695 -0.171 18518 819 1 2 . 1 1 27 27 HIS N N 27 116.017 116.017 118.938 -2.921 18518 820 1 2 . 1 1 27 27 HIS HA H 27 4.930 4.930 5.045 -0.115 18518 821 1 2 . 1 1 27 27 HIS CA C 27 53.054 53.054 53.392 -0.338 18518 822 1 2 . 1 1 27 27 HIS CB C 27 30.747 30.747 30.261 0.486 18518 823 1 2 . 1 1 27 27 HIS H H 27 8.284 8.284 8.172 0.112 18518 824 1 2 . 1 1 28 28 PRO HA H 28 4.581 4.581 4.576 0.005 18518 825 1 2 . 1 1 28 28 PRO CA C 28 64.919 64.919 64.576 0.343 18518 826 1 2 . 1 1 28 28 PRO CB C 28 32.455 32.455 32.319 0.136 18518 827 1 2 . 1 1 29 29 THR N N 29 107.011 107.011 106.651 0.360 18518 828 1 2 . 1 1 29 29 THR HA H 29 4.599 4.599 4.333 0.266 18518 829 1 2 . 1 1 29 29 THR C C 29 172.884 172.884 173.892 -1.008 18518 830 1 2 . 1 1 29 29 THR CA C 29 60.810 60.810 61.512 -0.702 18518 831 1 2 . 1 1 29 29 THR CB C 29 68.531 68.531 68.449 0.082 18518 832 1 2 . 1 1 29 29 THR H H 29 7.890 7.890 8.277 -0.387 18518 833 1 2 . 1 1 30 30 LYS N N 30 117.679 117.679 122.195 -4.516 18518 834 1 2 . 1 1 30 30 LYS HA H 30 4.858 4.858 5.022 -0.164 18518 835 1 2 . 1 1 30 30 LYS C C 30 174.310 174.310 174.972 -0.662 18518 836 1 2 . 1 1 30 30 LYS CA C 30 53.751 53.751 54.081 -0.330 18518 837 1 2 . 1 1 30 30 LYS CB C 30 35.804 35.804 34.950 0.854 18518 838 1 2 . 1 1 30 30 LYS H H 30 7.441 7.441 7.694 -0.253 18518 839 1 2 . 1 1 31 31 ILE N N 31 122.849 122.849 123.688 -0.839 18518 840 1 2 . 1 1 31 31 ILE HA H 31 4.105 4.105 4.416 -0.311 18518 841 1 2 . 1 1 31 31 ILE CA C 31 54.801 54.801 55.989 -1.188 18518 842 1 2 . 1 1 31 31 ILE CB C 31 38.265 38.265 37.883 0.382 18518 843 1 2 . 1 1 31 31 ILE H H 31 9.304 9.304 8.988 0.316 18518 844 1 2 . 1 1 32 32 PRO HA H 32 5.159 5.159 4.842 0.317 18518 845 1 2 . 1 1 32 32 PRO C C 32 174.164 174.164 176.352 -2.188 18518 846 1 2 . 1 1 32 32 PRO CA C 32 61.503 61.503 61.970 -0.467 18518 847 1 2 . 1 1 32 32 PRO CB C 32 31.145 31.145 30.138 1.007 18518 848 1 2 . 1 1 33 33 VAL N N 33 125.606 125.606 119.655 5.951 18518 849 1 2 . 1 1 33 33 VAL HA H 33 5.213 5.213 5.193 0.020 18518 850 1 2 . 1 1 33 33 VAL C C 33 173.654 173.654 174.189 -0.535 18518 851 1 2 . 1 1 33 33 VAL CA C 33 60.044 60.044 58.688 1.356 18518 852 1 2 . 1 1 33 33 VAL CB C 33 35.604 35.604 35.681 -0.077 18518 853 1 2 . 1 1 33 33 VAL H H 33 9.424 9.424 8.679 0.745 18518 854 1 2 . 1 1 34 34 ILE N N 34 128.241 128.241 123.177 5.064 18518 855 1 2 . 1 1 34 34 ILE HA H 34 4.833 4.833 4.851 -0.018 18518 856 1 2 . 1 1 34 34 ILE C C 34 175.605 175.605 175.024 0.581 18518 857 1 2 . 1 1 34 34 ILE CA C 34 56.765 56.765 58.125 -1.360 18518 858 1 2 . 1 1 34 34 ILE CB C 34 36.799 36.799 38.321 -1.522 18518 859 1 2 . 1 1 34 34 ILE H H 34 8.721 8.721 8.924 -0.203 18518 860 1 2 . 1 1 35 35 ILE N N 35 125.650 125.650 127.861 -2.211 18518 861 1 2 . 1 1 35 35 ILE HA H 35 4.836 4.836 4.646 0.190 18518 862 1 2 . 1 1 35 35 ILE C C 35 174.887 174.887 174.563 0.324 18518 863 1 2 . 1 1 35 35 ILE CA C 35 60.945 60.945 60.299 0.646 18518 864 1 2 . 1 1 35 35 ILE CB C 35 39.210 39.210 38.812 0.398 18518 865 1 2 . 1 1 35 35 ILE H H 35 9.034 9.034 9.022 0.012 18518 866 1 2 . 1 1 36 36 GLU N N 36 122.657 122.657 126.175 -3.518 18518 867 1 2 . 1 1 36 36 GLU HA H 36 4.861 4.861 4.806 0.056 18518 868 1 2 . 1 1 36 36 GLU C C 36 173.848 173.848 174.541 -0.693 18518 869 1 2 . 1 1 36 36 GLU CA C 36 53.932 53.932 54.002 -0.070 18518 870 1 2 . 1 1 36 36 GLU CB C 36 35.282 35.282 34.298 0.984 18518 871 1 2 . 1 1 36 36 GLU H H 36 8.303 8.303 8.313 -0.010 18518 872 1 2 . 1 1 37 37 ARG N N 37 123.228 123.228 123.527 -0.299 18518 873 1 2 . 1 1 37 37 ARG HA H 37 2.726 2.726 3.465 -0.739 18518 874 1 2 . 1 1 37 37 ARG C C 37 176.359 176.359 175.807 0.552 18518 875 1 2 . 1 1 37 37 ARG CA C 37 56.359 56.359 56.167 0.192 18518 876 1 2 . 1 1 37 37 ARG CB C 37 31.341 31.341 31.084 0.257 18518 877 1 2 . 1 1 37 37 ARG H H 37 8.856 8.856 8.623 0.233 18518 878 1 2 . 1 1 38 38 TYR N N 38 128.981 128.981 125.718 3.263 18518 879 1 2 . 1 1 38 38 TYR HA H 38 4.352 4.352 4.453 -0.101 18518 880 1 2 . 1 1 38 38 TYR C C 38 177.316 177.316 177.010 0.306 18518 881 1 2 . 1 1 38 38 TYR CA C 38 57.712 57.712 57.944 -0.232 18518 882 1 2 . 1 1 38 38 TYR CB C 38 39.472 39.472 40.584 -1.112 18518 883 1 2 . 1 1 38 38 TYR H H 38 8.628 8.628 8.195 0.433 18518 884 1 2 . 1 1 39 39 LYS N N 39 130.635 130.635 126.205 4.430 18518 885 1 2 . 1 1 39 39 LYS HA H 39 3.822 3.822 3.813 0.009 18518 886 1 2 . 1 1 39 39 LYS CA C 39 58.887 58.887 57.886 1.001 18518 887 1 2 . 1 1 39 39 LYS CB C 39 31.771 31.771 31.627 0.145 18518 888 1 2 . 1 1 39 39 LYS H H 39 8.594 8.594 7.751 0.843 18518 889 1 2 . 1 1 40 40 GLY C C 40 173.447 173.447 173.764 -0.317 18518 890 1 2 . 1 1 40 40 GLY CA C 40 44.663 44.663 44.080 0.583 18518 891 1 2 . 1 1 40 40 GLY H H 40 5.188 5.188 6.696 -1.508 18518 892 1 2 . 1 1 41 41 GLU N N 41 122.836 122.836 121.415 1.421 18518 893 1 2 . 1 1 41 41 GLU HA H 41 4.257 4.257 4.305 -0.048 18518 894 1 2 . 1 1 41 41 GLU C C 41 176.524 176.524 176.096 0.428 18518 895 1 2 . 1 1 41 41 GLU CA C 41 56.525 56.525 55.810 0.715 18518 896 1 2 . 1 1 41 41 GLU CB C 41 30.985 30.985 29.127 1.859 18518 897 1 2 . 1 1 41 41 GLU H H 41 7.380 7.380 7.474 -0.094 18518 898 1 2 . 1 1 42 42 LYS N N 42 124.040 124.040 127.429 -3.389 18518 899 1 2 . 1 1 42 42 LYS HA H 42 4.675 4.675 4.533 0.142 18518 900 1 2 . 1 1 42 42 LYS C C 42 177.538 177.538 176.802 0.736 18518 901 1 2 . 1 1 42 42 LYS CA C 42 55.840 55.840 56.528 -0.688 18518 902 1 2 . 1 1 42 42 LYS CB C 42 34.979 34.979 33.376 1.603 18518 903 1 2 . 1 1 42 42 LYS H H 42 9.034 9.034 8.718 0.316 18518 904 1 2 . 1 1 43 43 GLN N N 43 119.259 119.259 117.890 1.369 18518 905 1 2 . 1 1 43 43 GLN HA H 43 4.542 4.542 4.414 0.128 18518 906 1 2 . 1 1 43 43 GLN C C 43 177.336 177.336 176.357 0.979 18518 907 1 2 . 1 1 43 43 GLN CA C 43 57.673 57.673 56.448 1.225 18518 908 1 2 . 1 1 43 43 GLN CB C 43 30.782 30.782 30.293 0.489 18518 909 1 2 . 1 1 43 43 GLN H H 43 8.435 8.435 9.104 -0.669 18518 910 1 2 . 1 1 44 44 LEU N N 44 120.760 120.760 124.398 -3.638 18518 911 1 2 . 1 1 44 44 LEU HA H 44 4.695 4.695 4.683 0.012 18518 912 1 2 . 1 1 44 44 LEU CA C 44 53.245 53.245 53.122 0.123 18518 913 1 2 . 1 1 44 44 LEU CB C 44 43.596 43.596 41.320 2.276 18518 914 1 2 . 1 1 44 44 LEU H H 44 9.126 9.126 8.561 0.565 18518 915 1 2 . 1 1 45 45 PRO HA H 45 4.717 4.717 4.561 0.156 18518 916 1 2 . 1 1 45 45 PRO C C 45 175.797 175.797 176.409 -0.612 18518 917 1 2 . 1 1 45 45 PRO CA C 45 62.111 62.111 62.235 -0.124 18518 918 1 2 . 1 1 45 45 PRO CB C 45 32.592 32.592 32.493 0.099 18518 919 1 2 . 1 1 46 46 VAL N N 46 119.052 119.052 119.870 -0.818 18518 920 1 2 . 1 1 46 46 VAL HA H 46 3.867 3.867 4.534 -0.667 18518 921 1 2 . 1 1 46 46 VAL C C 46 175.640 175.640 176.362 -0.722 18518 922 1 2 . 1 1 46 46 VAL CA C 46 62.944 62.944 61.147 1.797 18518 923 1 2 . 1 1 46 46 VAL CB C 46 32.799 32.799 33.416 -0.617 18518 924 1 2 . 1 1 46 46 VAL H H 46 8.543 8.543 8.242 0.301 18518 925 1 2 . 1 1 47 47 LEU N N 47 130.203 130.203 123.953 6.250 18518 926 1 2 . 1 1 47 47 LEU HA H 47 4.309 4.309 4.510 -0.201 18518 927 1 2 . 1 1 47 47 LEU C C 47 176.198 176.198 177.520 -1.322 18518 928 1 2 . 1 1 47 47 LEU CA C 47 55.006 55.006 54.372 0.634 18518 929 1 2 . 1 1 47 47 LEU CB C 47 43.832 43.832 42.886 0.946 18518 930 1 2 . 1 1 47 47 LEU H H 47 7.799 7.799 8.634 -0.835 18518 931 1 2 . 1 1 48 48 ASP N N 48 122.403 122.403 122.899 -0.496 18518 932 1 2 . 1 1 48 48 ASP HA H 48 4.263 4.263 4.459 -0.196 18518 933 1 2 . 1 1 48 48 ASP C C 48 175.294 175.294 176.112 -0.818 18518 934 1 2 . 1 1 48 48 ASP CA C 48 55.832 55.832 56.435 -0.603 18518 935 1 2 . 1 1 48 48 ASP CB C 48 40.184 40.184 41.063 -0.879 18518 936 1 2 . 1 1 48 48 ASP H H 48 8.780 8.780 8.633 0.147 18518 937 1 2 . 1 1 49 49 LYS N N 49 119.569 119.569 116.974 2.595 18518 938 1 2 . 1 1 49 49 LYS HA H 49 4.585 4.585 4.527 0.058 18518 939 1 2 . 1 1 49 49 LYS C C 49 174.678 174.678 175.497 -0.819 18518 940 1 2 . 1 1 49 49 LYS CA C 49 53.652 53.652 55.249 -1.597 18518 941 1 2 . 1 1 49 49 LYS CB C 49 35.945 35.945 34.612 1.333 18518 942 1 2 . 1 1 49 49 LYS H H 49 7.280 7.280 7.457 -0.177 18518 943 1 2 . 1 1 50 50 THR N N 50 110.862 110.862 113.838 -2.976 18518 944 1 2 . 1 1 50 50 THR HA H 50 4.811 4.811 4.810 0.001 18518 945 1 2 . 1 1 50 50 THR C C 50 172.425 172.425 174.316 -1.891 18518 946 1 2 . 1 1 50 50 THR CA C 50 62.645 62.645 62.492 0.153 18518 947 1 2 . 1 1 50 50 THR CB C 50 71.648 71.648 70.317 1.331 18518 948 1 2 . 1 1 50 50 THR H H 50 8.042 8.042 8.349 -0.307 18518 949 1 2 . 1 1 51 51 LYS N N 51 120.008 120.008 122.335 -2.327 18518 950 1 2 . 1 1 51 51 LYS HA H 51 4.625 4.625 4.598 0.027 18518 951 1 2 . 1 1 51 51 LYS C C 51 175.082 175.082 175.943 -0.861 18518 952 1 2 . 1 1 51 51 LYS CA C 51 54.704 54.704 56.851 -2.147 18518 953 1 2 . 1 1 51 51 LYS CB C 51 32.376 32.376 32.991 -0.615 18518 954 1 2 . 1 1 51 51 LYS H H 51 7.119 7.119 7.668 -0.549 18518 955 1 2 . 1 1 52 52 PHE N N 52 122.640 122.640 123.996 -1.356 18518 956 1 2 . 1 1 52 52 PHE HA H 52 5.337 5.337 4.764 0.573 18518 957 1 2 . 1 1 52 52 PHE C C 52 174.213 174.213 174.028 0.185 18518 958 1 2 . 1 1 52 52 PHE CA C 52 56.611 56.611 56.846 -0.235 18518 959 1 2 . 1 1 52 52 PHE CB C 52 43.140 43.140 43.338 -0.198 18518 960 1 2 . 1 1 52 52 PHE H H 52 9.709 9.709 9.292 0.417 18518 961 1 2 . 1 1 53 53 LEU N N 53 122.157 122.157 123.470 -1.313 18518 962 1 2 . 1 1 53 53 LEU HA H 53 4.947 4.947 4.932 0.015 18518 963 1 2 . 1 1 53 53 LEU C C 53 175.769 175.769 175.651 0.118 18518 964 1 2 . 1 1 53 53 LEU CA C 53 52.957 52.957 53.871 -0.914 18518 965 1 2 . 1 1 53 53 LEU CB C 53 44.415 44.415 43.946 0.470 18518 966 1 2 . 1 1 53 53 LEU H H 53 8.959 8.959 8.407 0.552 18518 967 1 2 . 1 1 54 54 VAL N N 54 124.919 124.919 121.069 3.850 18518 968 1 2 . 1 1 54 54 VAL HA H 54 4.559 4.559 4.718 -0.159 18518 969 1 2 . 1 1 54 54 VAL CA C 54 59.130 59.130 57.657 1.474 18518 970 1 2 . 1 1 54 54 VAL CB C 54 34.968 34.968 32.801 2.167 18518 971 1 2 . 1 1 54 54 VAL H H 54 8.922 8.922 8.508 0.414 18518 972 1 2 . 1 1 55 55 PRO HA H 55 4.441 4.441 5.056 -0.615 18518 973 1 2 . 1 1 55 55 PRO C C 55 176.594 176.594 178.397 -1.803 18518 974 1 2 . 1 1 55 55 PRO CA C 55 64.315 64.315 62.062 2.253 18518 975 1 2 . 1 1 55 55 PRO CB C 55 32.665 32.665 33.317 -0.652 18518 976 1 2 . 1 1 56 56 ASP N N 56 120.522 120.522 121.811 -1.289 18518 977 1 2 . 1 1 56 56 ASP HA H 56 3.862 3.862 4.245 -0.383 18518 978 1 2 . 1 1 56 56 ASP C C 56 175.809 175.809 176.663 -0.854 18518 979 1 2 . 1 1 56 56 ASP CA C 56 56.749 56.749 57.066 -0.317 18518 980 1 2 . 1 1 56 56 ASP CB C 56 40.510 40.510 40.557 -0.047 18518 981 1 2 . 1 1 56 56 ASP H H 56 8.347 8.347 8.702 -0.355 18518 982 1 2 . 1 1 57 57 HIS N N 57 113.482 113.482 116.502 -3.020 18518 983 1 2 . 1 1 57 57 HIS HA H 57 4.720 4.720 4.526 0.194 18518 984 1 2 . 1 1 57 57 HIS C C 57 176.507 176.507 175.203 1.304 18518 985 1 2 . 1 1 57 57 HIS CA C 57 55.589 55.589 56.520 -0.931 18518 986 1 2 . 1 1 57 57 HIS CB C 57 30.643 30.643 29.640 1.003 18518 987 1 2 . 1 1 57 57 HIS H H 57 7.557 7.557 8.190 -0.633 18518 988 1 2 . 1 1 58 58 VAL N N 58 123.279 123.279 121.095 2.184 18518 989 1 2 . 1 1 58 58 VAL HA H 58 3.836 3.836 4.193 -0.357 18518 990 1 2 . 1 1 58 58 VAL C C 58 175.019 175.019 174.801 0.218 18518 991 1 2 . 1 1 58 58 VAL CA C 58 62.823 62.823 61.505 1.318 18518 992 1 2 . 1 1 58 58 VAL CB C 58 32.310 32.310 33.206 -0.896 18518 993 1 2 . 1 1 58 58 VAL H H 58 7.345 7.345 7.339 0.006 18518 994 1 2 . 1 1 59 59 ASN N N 59 123.781 123.781 122.435 1.346 18518 995 1 2 . 1 1 59 59 ASN HA H 59 5.126 5.126 5.255 -0.129 18518 996 1 2 . 1 1 59 59 ASN C C 59 176.558 176.558 176.389 0.169 18518 997 1 2 . 1 1 59 59 ASN CA C 59 51.485 51.485 51.551 -0.066 18518 998 1 2 . 1 1 59 59 ASN CB C 59 40.107 40.107 40.724 -0.617 18518 999 1 2 . 1 1 59 59 ASN H H 59 8.735 8.735 8.299 0.436 18518 1000 1 2 . 1 1 60 60 MET N N 60 117.453 117.453 119.088 -1.635 18518 1001 1 2 . 1 1 60 60 MET HA H 60 4.395 4.395 3.990 0.405 18518 1002 1 2 . 1 1 60 60 MET C C 60 178.144 178.144 178.389 -0.245 18518 1003 1 2 . 1 1 60 60 MET CA C 60 57.097 57.097 58.860 -1.763 18518 1004 1 2 . 1 1 60 60 MET CB C 60 30.140 30.140 31.816 -1.676 18518 1005 1 2 . 1 1 60 60 MET H H 60 8.227 8.227 8.766 -0.539 18518 1006 1 2 . 1 1 61 61 SER N N 61 114.216 114.216 114.517 -0.301 18518 1007 1 2 . 1 1 61 61 SER HA H 61 4.111 4.111 4.057 0.054 18518 1008 1 2 . 1 1 61 61 SER C C 61 177.335 177.335 176.897 0.438 18518 1009 1 2 . 1 1 61 61 SER CA C 61 61.590 61.590 62.542 -0.952 18518 1010 1 2 . 1 1 61 61 SER CB C 61 62.402 62.402 62.864 -0.462 18518 1011 1 2 . 1 1 61 61 SER H H 61 8.464 8.464 8.589 -0.125 18518 1012 1 2 . 1 1 62 62 GLU N N 62 123.004 123.004 121.430 1.574 18518 1013 1 2 . 1 1 62 62 GLU HA H 62 4.047 4.047 4.097 -0.050 18518 1014 1 2 . 1 1 62 62 GLU C C 62 178.686 178.686 178.518 0.168 18518 1015 1 2 . 1 1 62 62 GLU CA C 62 58.625 58.625 58.723 -0.098 18518 1016 1 2 . 1 1 62 62 GLU CB C 62 29.654 29.654 29.255 0.399 18518 1017 1 2 . 1 1 62 62 GLU H H 62 7.994 7.994 7.715 0.279 18518 1018 1 2 . 1 1 63 63 LEU N N 63 120.818 120.818 122.483 -1.665 18518 1019 1 2 . 1 1 63 63 LEU HA H 63 3.965 3.965 3.960 0.005 18518 1020 1 2 . 1 1 63 63 LEU C C 63 178.046 178.046 178.708 -0.662 18518 1021 1 2 . 1 1 63 63 LEU CA C 63 57.920 57.920 58.032 -0.112 18518 1022 1 2 . 1 1 63 63 LEU CB C 63 41.624 41.624 41.551 0.073 18518 1023 1 2 . 1 1 63 63 LEU H H 63 8.130 8.130 7.915 0.215 18518 1024 1 2 . 1 1 64 64 ILE N N 64 118.528 118.528 119.737 -1.209 18518 1025 1 2 . 1 1 64 64 ILE HA H 64 3.369 3.369 3.579 -0.210 18518 1026 1 2 . 1 1 64 64 ILE C C 64 177.127 177.127 177.761 -0.634 18518 1027 1 2 . 1 1 64 64 ILE CA C 64 66.678 66.678 65.872 0.806 18518 1028 1 2 . 1 1 64 64 ILE CB C 64 38.444 38.444 37.673 0.771 18518 1029 1 2 . 1 1 64 64 ILE H H 64 8.488 8.488 8.600 -0.112 18518 1030 1 2 . 1 1 65 65 LYS N N 65 118.336 118.336 120.525 -2.189 18518 1031 1 2 . 1 1 65 65 LYS HA H 65 3.701 3.701 3.942 -0.240 18518 1032 1 2 . 1 1 65 65 LYS C C 65 179.291 179.291 179.123 0.168 18518 1033 1 2 . 1 1 65 65 LYS CA C 65 60.440 60.440 59.974 0.466 18518 1034 1 2 . 1 1 65 65 LYS CB C 65 32.371 32.371 32.353 0.018 18518 1035 1 2 . 1 1 65 65 LYS H H 65 7.347 7.347 7.647 -0.300 18518 1036 1 2 . 1 1 66 66 ILE N N 66 120.171 120.171 120.068 0.103 18518 1037 1 2 . 1 1 66 66 ILE HA H 66 3.578 3.578 3.632 -0.054 18518 1038 1 2 . 1 1 66 66 ILE C C 66 178.873 178.873 178.293 0.580 18518 1039 1 2 . 1 1 66 66 ILE CA C 66 65.160 65.160 65.261 -0.101 18518 1040 1 2 . 1 1 66 66 ILE CB C 66 38.633 38.633 37.896 0.737 18518 1041 1 2 . 1 1 66 66 ILE H H 66 7.901 7.901 8.347 -0.446 18518 1042 1 2 . 1 1 67 67 ILE N N 67 121.185 121.185 120.251 0.934 18518 1043 1 2 . 1 1 67 67 ILE HA H 67 3.446 3.446 3.616 -0.170 18518 1044 1 2 . 1 1 67 67 ILE C C 67 177.150 177.150 177.691 -0.541 18518 1045 1 2 . 1 1 67 67 ILE CA C 67 62.806 62.806 63.836 -1.030 18518 1046 1 2 . 1 1 67 67 ILE CB C 67 34.995 34.995 37.171 -2.176 18518 1047 1 2 . 1 1 67 67 ILE H H 67 8.290 8.290 8.142 0.148 18518 1048 1 2 . 1 1 68 68 ARG N N 68 119.173 119.173 118.607 0.566 18518 1049 1 2 . 1 1 68 68 ARG HA H 68 2.931 2.931 3.653 -0.722 18518 1050 1 2 . 1 1 68 68 ARG C C 68 178.496 178.496 178.762 -0.266 18518 1051 1 2 . 1 1 68 68 ARG CA C 68 60.636 60.636 59.522 1.114 18518 1052 1 2 . 1 1 68 68 ARG CB C 68 30.440 30.440 29.595 0.845 18518 1053 1 2 . 1 1 68 68 ARG H H 68 8.438 8.438 8.349 0.089 18518 1054 1 2 . 1 1 69 69 ARG N N 69 116.511 116.511 119.794 -3.283 18518 1055 1 2 . 1 1 69 69 ARG HA H 69 4.134 4.134 3.976 0.158 18518 1056 1 2 . 1 1 69 69 ARG C C 69 180.262 180.262 178.392 1.870 18518 1057 1 2 . 1 1 69 69 ARG CA C 69 58.707 58.707 59.334 -0.627 18518 1058 1 2 . 1 1 69 69 ARG CB C 69 29.953 29.953 30.301 -0.348 18518 1059 1 2 . 1 1 69 69 ARG H H 69 7.497 7.497 8.280 -0.783 18518 1060 1 2 . 1 1 70 70 ARG N N 70 123.297 123.297 117.902 5.395 18518 1061 1 2 . 1 1 70 70 ARG HA H 70 4.016 4.016 4.092 -0.076 18518 1062 1 2 . 1 1 70 70 ARG C C 70 178.700 178.700 178.437 0.263 18518 1063 1 2 . 1 1 70 70 ARG CA C 70 59.460 59.460 58.512 0.948 18518 1064 1 2 . 1 1 70 70 ARG CB C 70 30.312 30.312 29.817 0.495 18518 1065 1 2 . 1 1 70 70 ARG H H 70 8.075 8.075 7.799 0.276 18518 1066 1 2 . 1 1 71 71 LEU N N 71 116.829 116.829 119.600 -2.771 18518 1067 1 2 . 1 1 71 71 LEU HA H 71 4.065 4.065 4.150 -0.085 18518 1068 1 2 . 1 1 71 71 LEU C C 71 174.956 174.956 176.386 -1.430 18518 1069 1 2 . 1 1 71 71 LEU CA C 71 55.126 55.126 56.095 -0.969 18518 1070 1 2 . 1 1 71 71 LEU CB C 71 43.246 43.246 42.188 1.058 18518 1071 1 2 . 1 1 71 71 LEU H H 71 7.719 7.719 7.957 -0.238 18518 1072 1 2 . 1 1 72 72 GLN N N 72 114.991 114.991 115.165 -0.174 18518 1073 1 2 . 1 1 72 72 GLN HA H 72 3.836 3.836 3.927 -0.091 18518 1074 1 2 . 1 1 72 72 GLN C C 72 175.683 175.683 175.128 0.555 18518 1075 1 2 . 1 1 72 72 GLN CA C 72 56.325 56.325 55.965 0.360 18518 1076 1 2 . 1 1 72 72 GLN CB C 72 26.004 26.004 25.798 0.206 18518 1077 1 2 . 1 1 72 72 GLN H H 72 7.744 7.744 7.696 0.048 18518 1078 1 2 . 1 1 73 73 LEU N N 73 115.045 115.045 119.941 -4.896 18518 1079 1 2 . 1 1 73 73 LEU HA H 73 4.236 4.236 4.047 0.189 18518 1080 1 2 . 1 1 73 73 LEU C C 73 178.762 178.762 176.775 1.987 18518 1081 1 2 . 1 1 73 73 LEU CA C 73 54.386 54.386 55.354 -0.968 18518 1082 1 2 . 1 1 73 73 LEU CB C 73 42.091 42.091 42.233 -0.142 18518 1083 1 2 . 1 1 73 73 LEU H H 73 7.500 7.500 7.617 -0.117 18518 1084 1 2 . 1 1 74 74 ASN N N 74 121.700 121.700 119.435 2.265 18518 1085 1 2 . 1 1 74 74 ASN HA H 74 4.690 4.690 4.628 0.062 18518 1086 1 2 . 1 1 74 74 ASN C C 74 176.617 176.617 175.458 1.159 18518 1087 1 2 . 1 1 74 74 ASN CA C 74 52.685 52.685 53.442 -0.757 18518 1088 1 2 . 1 1 74 74 ASN CB C 74 39.598 39.598 39.042 0.556 18518 1089 1 2 . 1 1 74 74 ASN H H 74 9.045 9.045 8.290 0.755 18518 1090 1 2 . 1 1 75 75 ALA N N 75 123.952 123.952 121.884 2.068 18518 1091 1 2 . 1 1 75 75 ALA HA H 75 3.964 3.964 4.467 -0.503 18518 1092 1 2 . 1 1 75 75 ALA C C 75 178.131 178.131 176.930 1.201 18518 1093 1 2 . 1 1 75 75 ALA CA C 75 54.868 54.868 52.708 2.160 18518 1094 1 2 . 1 1 75 75 ALA CB C 75 18.718 18.718 19.278 -0.560 18518 1095 1 2 . 1 1 75 75 ALA H H 75 8.784 8.784 8.411 0.373 18518 1096 1 2 . 1 1 76 76 ASN N N 76 112.295 112.295 116.499 -4.204 18518 1097 1 2 . 1 1 76 76 ASN HA H 76 4.580 4.580 4.735 -0.155 18518 1098 1 2 . 1 1 76 76 ASN C C 76 175.448 175.448 175.013 0.435 18518 1099 1 2 . 1 1 76 76 ASN CA C 76 53.214 53.214 53.231 -0.017 18518 1100 1 2 . 1 1 76 76 ASN CB C 76 38.320 38.320 39.335 -1.015 18518 1101 1 2 . 1 1 76 76 ASN H H 76 8.391 8.391 8.469 -0.078 18518 1102 1 2 . 1 1 77 77 GLN N N 77 120.577 120.577 119.523 1.054 18518 1103 1 2 . 1 1 77 77 GLN HA H 77 4.273 4.273 4.741 -0.468 18518 1104 1 2 . 1 1 77 77 GLN C C 77 175.045 175.045 173.614 1.431 18518 1105 1 2 . 1 1 77 77 GLN CA C 77 55.805 55.805 55.278 0.527 18518 1106 1 2 . 1 1 77 77 GLN CB C 77 30.157 30.157 31.640 -1.483 18518 1107 1 2 . 1 1 77 77 GLN H H 77 7.552 7.552 7.606 -0.054 18518 1108 1 2 . 1 1 78 78 ALA N N 78 130.670 130.670 123.237 7.433 18518 1109 1 2 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.642 -0.471 18518 1110 1 2 . 1 1 78 78 ALA C C 78 176.512 176.512 175.316 1.196 18518 1111 1 2 . 1 1 78 78 ALA CA C 78 52.842 52.842 51.104 1.738 18518 1112 1 2 . 1 1 78 78 ALA CB C 78 20.060 20.060 21.417 -1.357 18518 1113 1 2 . 1 1 78 78 ALA H H 78 8.799 8.799 8.643 0.156 18518 1114 1 2 . 1 1 79 79 PHE N N 79 119.325 119.325 116.396 2.929 18518 1115 1 2 . 1 1 79 79 PHE HA H 79 4.434 4.434 5.493 -1.059 18518 1116 1 2 . 1 1 79 79 PHE C C 79 171.726 171.726 173.034 -1.308 18518 1117 1 2 . 1 1 79 79 PHE CA C 79 59.145 59.145 55.005 4.140 18518 1118 1 2 . 1 1 79 79 PHE CB C 79 42.171 42.171 42.096 0.075 18518 1119 1 2 . 1 1 79 79 PHE H H 79 7.664 7.664 8.194 -0.530 18518 1120 1 2 . 1 1 80 80 PHE N N 80 126.314 126.314 119.813 6.501 18518 1121 1 2 . 1 1 80 80 PHE HA H 80 4.392 4.392 4.426 -0.034 18518 1122 1 2 . 1 1 80 80 PHE C C 80 177.169 177.169 173.284 3.885 18518 1123 1 2 . 1 1 80 80 PHE CA C 80 56.653 56.653 56.303 0.350 18518 1124 1 2 . 1 1 80 80 PHE CB C 80 41.933 41.933 43.209 -1.276 18518 1125 1 2 . 1 1 80 80 PHE H H 80 8.508 8.508 9.165 -0.657 18518 1126 1 2 . 1 1 81 81 LEU N N 81 121.426 121.426 122.956 -1.530 18518 1127 1 2 . 1 1 81 81 LEU HA H 81 4.851 4.851 5.030 -0.179 18518 1128 1 2 . 1 1 81 81 LEU C C 81 174.488 174.488 174.983 -0.495 18518 1129 1 2 . 1 1 81 81 LEU CA C 81 53.197 53.197 54.007 -0.810 18518 1130 1 2 . 1 1 81 81 LEU CB C 81 45.100 45.100 43.933 1.167 18518 1131 1 2 . 1 1 81 81 LEU H H 81 8.229 8.229 8.309 -0.080 18518 1132 1 2 . 1 1 82 82 LEU N N 82 125.155 125.155 128.384 -3.229 18518 1133 1 2 . 1 1 82 82 LEU HA H 82 4.833 4.833 4.421 0.412 18518 1134 1 2 . 1 1 82 82 LEU C C 82 177.166 177.166 175.563 1.603 18518 1135 1 2 . 1 1 82 82 LEU CA C 82 54.197 54.197 53.843 0.353 18518 1136 1 2 . 1 1 82 82 LEU CB C 82 43.442 43.442 43.061 0.381 18518 1137 1 2 . 1 1 82 82 LEU H H 82 9.400 9.400 9.251 0.149 18518 1138 1 2 . 1 1 83 83 VAL N N 83 123.886 123.886 123.442 0.444 18518 1139 1 2 . 1 1 83 83 VAL HA H 83 4.379 4.379 4.190 0.189 18518 1140 1 2 . 1 1 83 83 VAL C C 83 175.810 175.810 176.542 -0.732 18518 1141 1 2 . 1 1 83 83 VAL CA C 83 61.677 61.677 62.394 -0.717 18518 1142 1 2 . 1 1 83 83 VAL CB C 83 33.758 33.758 31.591 2.167 18518 1143 1 2 . 1 1 83 83 VAL H H 83 8.721 8.721 8.104 0.617 18518 1144 1 2 . 1 1 84 84 ASN N N 84 126.474 126.474 126.672 -0.198 18518 1145 1 2 . 1 1 84 84 ASN HA H 84 4.396 4.396 4.517 -0.121 18518 1146 1 2 . 1 1 84 84 ASN C C 84 175.164 175.164 175.041 0.123 18518 1147 1 2 . 1 1 84 84 ASN CA C 84 54.738 54.738 54.834 -0.096 18518 1148 1 2 . 1 1 84 84 ASN CB C 84 37.950 37.950 37.798 0.152 18518 1149 1 2 . 1 1 84 84 ASN H H 84 9.707 9.707 9.407 0.300 18518 1150 1 2 . 1 1 85 85 GLY N N 85 101.296 101.296 103.633 -2.337 18518 1151 1 2 . 1 1 85 85 GLY C C 85 173.680 173.680 173.362 0.318 18518 1152 1 2 . 1 1 85 85 GLY CA C 85 45.603 45.603 44.754 0.849 18518 1153 1 2 . 1 1 85 85 GLY H H 85 8.644 8.644 8.254 0.390 18518 1154 1 2 . 1 1 86 86 HIS N N 86 117.238 117.238 119.585 -2.347 18518 1155 1 2 . 1 1 86 86 HIS HA H 86 5.017 5.017 4.733 0.284 18518 1156 1 2 . 1 1 86 86 HIS C C 86 173.841 173.841 174.180 -0.339 18518 1157 1 2 . 1 1 86 86 HIS CA C 86 53.796 53.796 54.142 -0.346 18518 1158 1 2 . 1 1 86 86 HIS CB C 86 31.280 31.280 30.961 0.319 18518 1159 1 2 . 1 1 86 86 HIS H H 86 7.918 7.918 8.129 -0.211 18518 1160 1 2 . 1 1 87 87 SER N N 87 118.179 118.179 120.106 -1.927 18518 1161 1 2 . 1 1 87 87 SER HA H 87 4.699 4.699 4.537 0.162 18518 1162 1 2 . 1 1 87 87 SER C C 87 175.904 175.904 174.778 1.126 18518 1163 1 2 . 1 1 87 87 SER CA C 87 58.271 58.271 57.890 0.381 18518 1164 1 2 . 1 1 87 87 SER CB C 87 63.735 63.735 62.104 1.631 18518 1165 1 2 . 1 1 87 87 SER H H 87 8.977 8.977 8.744 0.233 18518 1166 1 2 . 1 1 88 88 MET N N 88 125.472 125.472 120.949 4.523 18518 1167 1 2 . 1 1 88 88 MET HA H 88 4.830 4.830 4.712 0.118 18518 1168 1 2 . 1 1 88 88 MET C C 88 176.419 176.419 175.383 1.036 18518 1169 1 2 . 1 1 88 88 MET CA C 88 54.899 54.899 55.678 -0.779 18518 1170 1 2 . 1 1 88 88 MET CB C 88 33.336 33.336 33.457 -0.121 18518 1171 1 2 . 1 1 88 88 MET H H 88 9.184 9.184 8.075 1.109 18518 1172 1 2 . 1 1 89 89 VAL N N 89 120.747 120.747 119.690 1.057 18518 1173 1 2 . 1 1 89 89 VAL HA H 89 4.232 4.232 4.559 -0.327 18518 1174 1 2 . 1 1 89 89 VAL C C 89 175.958 175.958 175.216 0.742 18518 1175 1 2 . 1 1 89 89 VAL CA C 89 63.154 63.154 60.391 2.763 18518 1176 1 2 . 1 1 89 89 VAL CB C 89 31.878 31.878 33.889 -2.011 18518 1177 1 2 . 1 1 89 89 VAL H H 89 8.233 8.233 7.432 0.801 18518 1178 1 2 . 1 1 90 90 SER N N 90 117.362 117.362 120.511 -3.149 18518 1179 1 2 . 1 1 90 90 SER HA H 90 4.590 4.590 4.676 -0.086 18518 1180 1 2 . 1 1 90 90 SER C C 90 175.741 175.741 174.064 1.677 18518 1181 1 2 . 1 1 90 90 SER CA C 90 57.717 57.717 57.773 -0.056 18518 1182 1 2 . 1 1 90 90 SER CB C 90 63.223 63.223 64.163 -0.940 18518 1183 1 2 . 1 1 90 90 SER H H 90 8.482 8.482 8.179 0.303 18518 1184 1 2 . 1 1 91 91 VAL N N 91 120.466 120.466 117.026 3.440 18518 1185 1 2 . 1 1 91 91 VAL HA H 91 4.047 4.047 4.266 -0.219 18518 1186 1 2 . 1 1 91 91 VAL C C 91 176.329 176.329 174.886 1.443 18518 1187 1 2 . 1 1 91 91 VAL CA C 91 63.492 63.492 63.222 0.270 18518 1188 1 2 . 1 1 91 91 VAL CB C 91 32.568 32.568 32.343 0.225 18518 1189 1 2 . 1 1 91 91 VAL H H 91 8.188 8.188 8.374 -0.186 18518 1190 1 2 . 1 1 92 92 SER N N 92 116.398 116.398 113.255 3.143 18518 1191 1 2 . 1 1 92 92 SER HA H 92 4.636 4.636 4.623 0.013 18518 1192 1 2 . 1 1 92 92 SER C C 92 174.159 174.159 175.082 -0.923 18518 1193 1 2 . 1 1 92 92 SER CA C 92 57.805 57.805 57.509 0.296 18518 1194 1 2 . 1 1 92 92 SER CB C 92 63.046 63.046 63.508 -0.462 18518 1195 1 2 . 1 1 92 92 SER H H 92 8.370 8.370 7.678 0.692 18518 1196 1 2 . 1 1 93 93 THR N N 93 119.211 119.211 117.681 1.530 18518 1197 1 2 . 1 1 93 93 THR HA H 93 4.484 4.484 4.545 -0.060 18518 1198 1 2 . 1 1 93 93 THR CA C 93 60.884 60.884 60.438 0.445 18518 1199 1 2 . 1 1 93 93 THR CB C 93 70.609 70.609 68.868 1.740 18518 1200 1 2 . 1 1 93 93 THR H H 93 7.416 7.416 7.607 -0.191 18518 1201 1 2 . 1 1 94 94 PRO HA H 94 4.440 4.440 4.623 -0.183 18518 1202 1 2 . 1 1 94 94 PRO C C 94 178.775 178.775 177.070 1.705 18518 1203 1 2 . 1 1 94 94 PRO CA C 94 62.943 62.943 62.199 0.744 18518 1204 1 2 . 1 1 94 94 PRO CB C 94 32.649 32.649 32.777 -0.128 18518 1205 1 2 . 1 1 95 95 ILE N N 95 124.174 124.174 123.085 1.089 18518 1206 1 2 . 1 1 95 95 ILE HA H 95 3.949 3.949 3.815 0.134 18518 1207 1 2 . 1 1 95 95 ILE C C 95 176.498 176.498 176.783 -0.285 18518 1208 1 2 . 1 1 95 95 ILE CA C 95 63.904 63.904 62.366 1.538 18518 1209 1 2 . 1 1 95 95 ILE CB C 95 38.182 38.182 38.079 0.103 18518 1210 1 2 . 1 1 95 95 ILE H H 95 9.305 9.305 7.863 1.442 18518 1211 1 2 . 1 1 96 96 SER N N 96 116.920 116.920 115.746 1.174 18518 1212 1 2 . 1 1 96 96 SER HA H 96 4.029 4.029 4.146 -0.117 18518 1213 1 2 . 1 1 96 96 SER C C 96 176.574 176.574 176.382 0.192 18518 1214 1 2 . 1 1 96 96 SER CA C 96 61.356 61.356 62.437 -1.081 18518 1215 1 2 . 1 1 96 96 SER CB C 96 61.723 61.723 62.438 -0.715 18518 1216 1 2 . 1 1 96 96 SER H H 96 8.335 8.335 8.715 -0.380 18518 1217 1 2 . 1 1 97 97 GLU N N 97 123.255 123.255 123.041 0.214 18518 1218 1 2 . 1 1 97 97 GLU HA H 97 4.278 4.278 4.348 -0.070 18518 1219 1 2 . 1 1 97 97 GLU C C 97 179.716 179.716 178.850 0.866 18518 1220 1 2 . 1 1 97 97 GLU CA C 97 58.792 58.792 58.499 0.293 18518 1221 1 2 . 1 1 97 97 GLU CB C 97 29.562 29.562 29.334 0.228 18518 1222 1 2 . 1 1 97 97 GLU H H 97 7.376 7.376 7.803 -0.427 18518 1223 1 2 . 1 1 98 98 VAL N N 98 121.137 121.137 120.596 0.541 18518 1224 1 2 . 1 1 98 98 VAL HA H 98 3.802 3.802 3.693 0.109 18518 1225 1 2 . 1 1 98 98 VAL C C 98 177.637 177.637 178.124 -0.487 18518 1226 1 2 . 1 1 98 98 VAL CA C 98 65.824 65.824 66.407 -0.583 18518 1227 1 2 . 1 1 98 98 VAL CB C 98 32.154 32.154 30.915 1.239 18518 1228 1 2 . 1 1 98 98 VAL H H 98 7.387 7.387 7.876 -0.489 18518 1229 1 2 . 1 1 99 99 TYR N N 99 118.927 118.927 121.726 -2.799 18518 1230 1 2 . 1 1 99 99 TYR HA H 99 3.990 3.990 4.111 -0.121 18518 1231 1 2 . 1 1 99 99 TYR C C 99 176.081 176.081 176.953 -0.872 18518 1232 1 2 . 1 1 99 99 TYR CA C 99 62.223 62.223 60.327 1.896 18518 1233 1 2 . 1 1 99 99 TYR CB C 99 38.982 38.982 38.184 0.798 18518 1234 1 2 . 1 1 99 99 TYR H H 99 9.048 9.048 8.582 0.466 18518 1235 1 2 . 1 1 100 100 GLU N N 100 113.894 113.894 116.394 -2.500 18518 1236 1 2 . 1 1 100 100 GLU HA H 100 3.846 3.846 3.736 0.110 18518 1237 1 2 . 1 1 100 100 GLU C C 100 177.989 177.989 178.409 -0.420 18518 1238 1 2 . 1 1 100 100 GLU CA C 100 59.087 59.087 58.443 0.644 18518 1239 1 2 . 1 1 100 100 GLU CB C 100 29.382 29.382 28.815 0.567 18518 1240 1 2 . 1 1 100 100 GLU H H 100 7.422 7.422 7.985 -0.563 18518 1241 1 2 . 1 1 101 101 SER N N 101 108.991 108.991 114.148 -5.157 18518 1242 1 2 . 1 1 101 101 SER HA H 101 4.524 4.524 4.423 0.101 18518 1243 1 2 . 1 1 101 101 SER C C 101 176.628 176.628 175.162 1.466 18518 1244 1 2 . 1 1 101 101 SER CA C 101 60.349 60.349 60.552 -0.203 18518 1245 1 2 . 1 1 101 101 SER CB C 101 64.741 64.741 64.150 0.591 18518 1246 1 2 . 1 1 101 101 SER H H 101 7.424 7.424 7.841 -0.417 18518 1247 1 2 . 1 1 102 102 GLU N N 102 116.533 116.533 119.085 -2.552 18518 1248 1 2 . 1 1 102 102 GLU HA H 102 4.744 4.744 4.633 0.111 18518 1249 1 2 . 1 1 102 102 GLU C C 102 176.774 176.774 175.432 1.342 18518 1250 1 2 . 1 1 102 102 GLU CA C 102 55.581 55.581 55.635 -0.054 18518 1251 1 2 . 1 1 102 102 GLU CB C 102 30.697 30.697 31.093 -0.396 18518 1252 1 2 . 1 1 102 102 GLU H H 102 8.487 8.487 7.811 0.676 18518 1253 1 2 . 1 1 103 103 LYS N N 103 118.370 118.370 120.394 -2.024 18518 1254 1 2 . 1 1 103 103 LYS HA H 103 4.178 4.178 4.226 -0.048 18518 1255 1 2 . 1 1 103 103 LYS C C 103 175.018 175.018 176.695 -1.677 18518 1256 1 2 . 1 1 103 103 LYS CA C 103 57.329 57.329 57.083 0.246 18518 1257 1 2 . 1 1 103 103 LYS CB C 103 32.186 32.186 31.587 0.599 18518 1258 1 2 . 1 1 103 103 LYS H H 103 7.831 7.831 7.724 0.107 18518 1259 1 2 . 1 1 104 104 ASP N N 104 123.500 123.500 125.490 -1.990 18518 1260 1 2 . 1 1 104 104 ASP HA H 104 4.755 4.755 4.555 0.200 18518 1261 1 2 . 1 1 104 104 ASP C C 104 177.383 177.383 178.214 -0.831 18518 1262 1 2 . 1 1 104 104 ASP CA C 104 53.846 53.846 55.067 -1.221 18518 1263 1 2 . 1 1 104 104 ASP CB C 104 43.411 43.411 42.335 1.076 18518 1264 1 2 . 1 1 104 104 ASP H H 104 9.041 9.041 8.127 0.914 18518 1265 1 2 . 1 1 105 105 GLU N N 105 125.448 125.448 121.254 4.194 18518 1266 1 2 . 1 1 105 105 GLU HA H 105 4.180 4.180 4.127 0.053 18518 1267 1 2 . 1 1 105 105 GLU C C 105 177.519 177.519 176.617 0.902 18518 1268 1 2 . 1 1 105 105 GLU CA C 105 59.529 59.529 59.090 0.438 18518 1269 1 2 . 1 1 105 105 GLU CB C 105 30.044 30.044 29.592 0.452 18518 1270 1 2 . 1 1 105 105 GLU H H 105 8.906 8.906 8.983 -0.077 18518 1271 1 2 . 1 1 106 106 ASP N N 106 118.824 118.824 118.581 0.243 18518 1272 1 2 . 1 1 106 106 ASP HA H 106 4.179 4.179 4.693 -0.514 18518 1273 1 2 . 1 1 106 106 ASP C C 106 176.223 176.223 176.521 -0.298 18518 1274 1 2 . 1 1 106 106 ASP CA C 106 54.756 54.756 54.770 -0.014 18518 1275 1 2 . 1 1 106 106 ASP CB C 106 39.999 39.999 40.847 -0.848 18518 1276 1 2 . 1 1 106 106 ASP H H 106 10.036 10.036 8.133 1.903 18518 1277 1 2 . 1 1 107 107 GLY N N 107 105.866 105.866 106.665 -0.799 18518 1278 1 2 . 1 1 107 107 GLY C C 107 175.136 175.136 174.239 0.897 18518 1279 1 2 . 1 1 107 107 GLY CA C 107 45.222 45.222 45.715 -0.493 18518 1280 1 2 . 1 1 107 107 GLY H H 107 8.001 8.001 8.065 -0.064 18518 1281 1 2 . 1 1 108 108 PHE N N 108 123.820 123.820 120.755 3.065 18518 1282 1 2 . 1 1 108 108 PHE HA H 108 4.662 4.662 4.970 -0.308 18518 1283 1 2 . 1 1 108 108 PHE C C 108 174.899 174.899 174.447 0.452 18518 1284 1 2 . 1 1 108 108 PHE CA C 108 60.238 60.238 57.517 2.721 18518 1285 1 2 . 1 1 108 108 PHE CB C 108 40.365 40.365 41.384 -1.019 18518 1286 1 2 . 1 1 108 108 PHE H H 108 9.912 9.912 7.882 2.030 18518 1287 1 2 . 1 1 109 109 LEU N N 109 120.130 120.130 124.105 -3.975 18518 1288 1 2 . 1 1 109 109 LEU HA H 109 5.030 5.030 4.907 0.123 18518 1289 1 2 . 1 1 109 109 LEU C C 109 173.916 173.916 174.807 -0.891 18518 1290 1 2 . 1 1 109 109 LEU CA C 109 53.424 53.424 54.195 -0.771 18518 1291 1 2 . 1 1 109 109 LEU CB C 109 45.203 45.203 43.628 1.575 18518 1292 1 2 . 1 1 109 109 LEU H H 109 7.997 7.997 8.743 -0.746 18518 1293 1 2 . 1 1 110 110 TYR N N 110 126.579 126.579 126.442 0.137 18518 1294 1 2 . 1 1 110 110 TYR HA H 110 5.003 5.003 4.646 0.357 18518 1295 1 2 . 1 1 110 110 TYR C C 110 176.671 176.671 175.197 1.474 18518 1296 1 2 . 1 1 110 110 TYR CA C 110 59.058 59.058 58.427 0.631 18518 1297 1 2 . 1 1 110 110 TYR CB C 110 39.556 39.556 40.022 -0.466 18518 1298 1 2 . 1 1 110 110 TYR H H 110 9.377 9.377 8.452 0.925 18518 1299 1 2 . 1 1 111 111 MET N N 111 119.240 119.240 119.754 -0.514 18518 1300 1 2 . 1 1 111 111 MET HA H 111 5.486 5.486 5.245 0.241 18518 1301 1 2 . 1 1 111 111 MET C C 111 175.695 175.695 174.353 1.342 18518 1302 1 2 . 1 1 111 111 MET CA C 111 54.124 54.124 54.831 -0.707 18518 1303 1 2 . 1 1 111 111 MET CB C 111 36.960 36.960 37.958 -0.998 18518 1304 1 2 . 1 1 111 111 MET H H 111 9.658 9.658 8.729 0.929 18518 1305 1 2 . 1 1 112 112 VAL N N 112 119.865 119.865 115.361 4.504 18518 1306 1 2 . 1 1 112 112 VAL HA H 112 5.963 5.963 5.542 0.421 18518 1307 1 2 . 1 1 112 112 VAL C C 112 175.058 175.058 174.044 1.014 18518 1308 1 2 . 1 1 112 112 VAL CA C 112 58.911 58.911 59.332 -0.421 18518 1309 1 2 . 1 1 112 112 VAL CB C 112 36.051 36.051 35.388 0.663 18518 1310 1 2 . 1 1 112 112 VAL H H 112 8.794 8.794 8.970 -0.176 18518 1311 1 2 . 1 1 113 113 TYR N N 113 119.664 119.664 120.388 -0.724 18518 1312 1 2 . 1 1 113 113 TYR HA H 113 6.118 6.118 5.800 0.318 18518 1313 1 2 . 1 1 113 113 TYR C C 113 173.375 173.375 173.449 -0.074 18518 1314 1 2 . 1 1 113 113 TYR CA C 113 54.153 54.153 55.204 -1.051 18518 1315 1 2 . 1 1 113 113 TYR CB C 113 43.312 43.312 42.133 1.179 18518 1316 1 2 . 1 1 113 113 TYR H H 113 8.315 8.315 8.315 -0.000 18518 1317 1 2 . 1 1 114 114 ALA N N 114 119.763 119.763 122.001 -2.238 18518 1318 1 2 . 1 1 114 114 ALA HA H 114 4.800 4.800 4.837 -0.037 18518 1319 1 2 . 1 1 114 114 ALA C C 114 176.216 176.216 174.821 1.395 18518 1320 1 2 . 1 1 114 114 ALA CA C 114 51.132 51.132 52.296 -1.164 18518 1321 1 2 . 1 1 114 114 ALA CB C 114 24.596 24.596 21.996 2.600 18518 1322 1 2 . 1 1 114 114 ALA H H 114 8.465 8.465 8.850 -0.385 18518 1323 1 2 . 1 1 115 115 SER N N 115 114.763 114.763 115.873 -1.110 18518 1324 1 2 . 1 1 115 115 SER HA H 115 4.496 4.496 4.902 -0.406 18518 1325 1 2 . 1 1 115 115 SER C C 115 172.671 172.671 173.769 -1.098 18518 1326 1 2 . 1 1 115 115 SER CA C 115 58.651 58.651 57.774 0.877 18518 1327 1 2 . 1 1 115 115 SER CB C 115 63.526 63.526 62.191 1.335 18518 1328 1 2 . 1 1 115 115 SER H H 115 9.915 9.915 9.185 0.730 18518 1329 1 2 . 1 1 116 116 GLN N N 116 116.611 116.611 124.097 -7.486 18518 1330 1 2 . 1 1 116 116 GLN HA H 116 4.484 4.484 4.622 -0.138 18518 1331 1 2 . 1 1 116 116 GLN C C 116 172.733 172.733 174.029 -1.296 18518 1332 1 2 . 1 1 116 116 GLN CA C 116 53.926 53.926 56.046 -2.120 18518 1333 1 2 . 1 1 116 116 GLN CB C 116 32.358 32.358 30.797 1.561 18518 1334 1 2 . 1 1 116 116 GLN H H 116 7.219 7.219 8.115 -0.896 18518 1335 1 2 . 1 1 117 117 GLU N N 117 117.623 117.623 123.065 -5.442 18518 1336 1 2 . 1 1 117 117 GLU HA H 117 3.287 3.287 2.667 0.620 18518 1337 1 2 . 1 1 117 117 GLU C C 117 175.168 175.168 175.671 -0.503 18518 1338 1 2 . 1 1 117 117 GLU CA C 117 56.882 56.882 57.489 -0.607 18518 1339 1 2 . 1 1 117 117 GLU CB C 117 30.522 30.522 29.689 0.833 18518 1340 1 2 . 1 1 117 117 GLU H H 117 7.882 7.882 8.539 -0.657 18518 1341 1 2 . 1 1 118 118 THR N N 118 109.820 109.820 109.086 0.734 18518 1342 1 2 . 1 1 118 118 THR HA H 118 4.066 4.066 4.470 -0.404 18518 1343 1 2 . 1 1 118 118 THR C C 118 172.355 172.355 174.202 -1.847 18518 1344 1 2 . 1 1 118 118 THR CA C 118 60.029 60.029 59.916 0.113 18518 1345 1 2 . 1 1 118 118 THR CB C 118 70.480 70.480 69.851 0.629 18518 1346 1 2 . 1 1 118 118 THR H H 118 6.992 6.992 7.560 -0.568 18518 1347 1 3 . 1 1 2 2 ALA HA H 2 4.336 4.336 5.258 -0.922 18518 1348 1 3 . 1 1 2 2 ALA C C 2 177.974 177.974 176.104 1.870 18518 1349 1 3 . 1 1 2 2 ALA CA C 2 52.785 52.785 51.590 1.196 18518 1350 1 3 . 1 1 2 2 ALA CB C 2 19.444 19.444 21.121 -1.677 18518 1351 1 3 . 1 1 3 3 MET N N 3 119.311 119.311 120.273 -0.962 18518 1352 1 3 . 1 1 3 3 MET HA H 3 4.451 4.451 4.774 -0.323 18518 1353 1 3 . 1 1 3 3 MET C C 3 176.913 176.913 175.118 1.795 18518 1354 1 3 . 1 1 3 3 MET CA C 3 55.679 55.679 55.065 0.614 18518 1355 1 3 . 1 1 3 3 MET CB C 3 32.590 32.590 35.470 -2.880 18518 1356 1 3 . 1 1 3 3 MET H H 3 8.638 8.638 8.688 -0.050 18518 1357 1 3 . 1 1 4 4 GLY N N 4 110.281 110.281 110.455 -0.174 18518 1358 1 3 . 1 1 4 4 GLY C C 4 174.180 174.180 173.720 0.460 18518 1359 1 3 . 1 1 4 4 GLY CA C 4 45.495 45.495 44.750 0.745 18518 1360 1 3 . 1 1 4 4 GLY H H 4 8.552 8.552 8.640 -0.088 18518 1361 1 3 . 1 1 5 5 LYS N N 5 120.818 120.818 126.828 -6.010 18518 1362 1 3 . 1 1 5 5 LYS HA H 5 4.509 4.509 4.532 -0.023 18518 1363 1 3 . 1 1 5 5 LYS C C 5 177.605 177.605 176.103 1.502 18518 1364 1 3 . 1 1 5 5 LYS CA C 5 56.134 56.134 55.859 0.275 18518 1365 1 3 . 1 1 5 5 LYS CB C 5 34.813 34.813 32.950 1.863 18518 1366 1 3 . 1 1 5 5 LYS H H 5 8.133 8.133 8.121 0.012 18518 1367 1 3 . 1 1 6 6 THR N N 6 114.781 114.781 115.217 -0.436 18518 1368 1 3 . 1 1 6 6 THR HA H 6 4.421 4.421 4.329 0.092 18518 1369 1 3 . 1 1 6 6 THR C C 6 175.524 175.524 175.983 -0.459 18518 1370 1 3 . 1 1 6 6 THR CA C 6 61.127 61.127 61.093 0.034 18518 1371 1 3 . 1 1 6 6 THR CB C 6 69.926 69.926 69.899 0.027 18518 1372 1 3 . 1 1 6 6 THR H H 6 8.483 8.483 8.111 0.372 18518 1373 1 3 . 1 1 7 7 PHE N N 7 125.552 125.552 121.101 4.451 18518 1374 1 3 . 1 1 7 7 PHE HA H 7 4.005 4.005 4.059 -0.054 18518 1375 1 3 . 1 1 7 7 PHE C C 7 177.397 177.397 176.971 0.426 18518 1376 1 3 . 1 1 7 7 PHE CA C 7 63.393 63.393 61.700 1.693 18518 1377 1 3 . 1 1 7 7 PHE CB C 7 39.567 39.567 37.981 1.586 18518 1378 1 3 . 1 1 7 7 PHE H H 7 10.245 10.245 8.986 1.259 18518 1379 1 3 . 1 1 8 8 LYS N N 8 114.053 114.053 117.009 -2.956 18518 1380 1 3 . 1 1 8 8 LYS HA H 8 3.835 3.835 3.825 0.010 18518 1381 1 3 . 1 1 8 8 LYS C C 8 175.520 175.520 178.581 -3.061 18518 1382 1 3 . 1 1 8 8 LYS CA C 8 59.993 59.993 58.346 1.647 18518 1383 1 3 . 1 1 8 8 LYS CB C 8 33.689 33.689 30.908 2.781 18518 1384 1 3 . 1 1 8 8 LYS H H 8 8.775 8.775 7.085 1.690 18518 1385 1 3 . 1 1 9 9 GLN N N 9 113.516 113.516 118.737 -5.221 18518 1386 1 3 . 1 1 9 9 GLN HA H 9 4.149 4.149 4.131 0.018 18518 1387 1 3 . 1 1 9 9 GLN C C 9 177.615 177.615 177.505 0.110 18518 1388 1 3 . 1 1 9 9 GLN CA C 9 56.819 56.819 58.104 -1.285 18518 1389 1 3 . 1 1 9 9 GLN CB C 9 30.019 30.019 29.085 0.934 18518 1390 1 3 . 1 1 9 9 GLN H H 9 7.355 7.355 7.817 -0.462 18518 1391 1 3 . 1 1 10 10 ARG N N 10 118.294 118.294 115.753 2.541 18518 1392 1 3 . 1 1 10 10 ARG HA H 10 4.302 4.302 4.230 0.072 18518 1393 1 3 . 1 1 10 10 ARG C C 10 179.380 179.380 176.960 2.420 18518 1394 1 3 . 1 1 10 10 ARG CA C 10 57.268 57.268 57.056 0.212 18518 1395 1 3 . 1 1 10 10 ARG CB C 10 31.642 31.642 30.704 0.938 18518 1396 1 3 . 1 1 10 10 ARG H H 10 7.936 7.936 7.776 0.160 18518 1397 1 3 . 1 1 11 11 ARG N N 11 121.137 121.137 119.817 1.320 18518 1398 1 3 . 1 1 11 11 ARG HA H 11 4.680 4.680 4.666 0.014 18518 1399 1 3 . 1 1 11 11 ARG CA C 11 53.453 53.453 54.706 -1.253 18518 1400 1 3 . 1 1 11 11 ARG CB C 11 32.938 32.938 32.658 0.280 18518 1401 1 3 . 1 1 11 11 ARG H H 11 7.390 7.390 7.677 -0.287 18518 1402 1 3 . 1 1 12 12 THR N N 12 116.819 116.819 119.151 -2.332 18518 1403 1 3 . 1 1 12 12 THR HA H 12 4.359 4.359 4.260 0.099 18518 1404 1 3 . 1 1 12 12 THR C C 12 174.989 174.989 176.441 -1.452 18518 1405 1 3 . 1 1 12 12 THR CA C 12 61.748 61.748 62.205 -0.457 18518 1406 1 3 . 1 1 12 12 THR CB C 12 71.068 71.068 70.012 1.056 18518 1407 1 3 . 1 1 12 12 THR H H 12 8.953 8.953 8.235 0.718 18518 1408 1 3 . 1 1 13 13 PHE N N 13 123.200 123.200 122.916 0.284 18518 1409 1 3 . 1 1 13 13 PHE HA H 13 4.028 4.028 4.198 -0.170 18518 1410 1 3 . 1 1 13 13 PHE C C 13 176.029 176.029 176.905 -0.876 18518 1411 1 3 . 1 1 13 13 PHE CA C 13 62.864 62.864 62.607 0.257 18518 1412 1 3 . 1 1 13 13 PHE CB C 13 39.560 39.560 39.406 0.154 18518 1413 1 3 . 1 1 13 13 PHE H H 13 9.284 9.284 8.964 0.320 18518 1414 1 3 . 1 1 14 14 GLU N N 14 115.414 115.414 118.140 -2.726 18518 1415 1 3 . 1 1 14 14 GLU HA H 14 3.794 3.794 3.933 -0.139 18518 1416 1 3 . 1 1 14 14 GLU C C 14 180.081 180.081 178.947 1.134 18518 1417 1 3 . 1 1 14 14 GLU CA C 14 60.619 60.619 60.127 0.492 18518 1418 1 3 . 1 1 14 14 GLU CB C 14 28.852 28.852 28.581 0.271 18518 1419 1 3 . 1 1 14 14 GLU H H 14 8.973 8.973 8.738 0.235 18518 1420 1 3 . 1 1 15 15 GLN N N 15 119.276 119.276 118.293 0.983 18518 1421 1 3 . 1 1 15 15 GLN HA H 15 4.000 4.000 4.131 -0.131 18518 1422 1 3 . 1 1 15 15 GLN C C 15 177.978 177.978 179.112 -1.134 18518 1423 1 3 . 1 1 15 15 GLN CA C 15 58.835 58.835 59.159 -0.324 18518 1424 1 3 . 1 1 15 15 GLN CB C 15 29.370 29.370 28.199 1.171 18518 1425 1 3 . 1 1 15 15 GLN H H 15 7.756 7.756 8.611 -0.855 18518 1426 1 3 . 1 1 16 16 ARG N N 16 121.336 121.336 120.865 0.471 18518 1427 1 3 . 1 1 16 16 ARG HA H 16 4.270 4.270 4.222 0.048 18518 1428 1 3 . 1 1 16 16 ARG C C 16 177.416 177.416 178.754 -1.338 18518 1429 1 3 . 1 1 16 16 ARG CA C 16 61.375 61.375 59.719 1.656 18518 1430 1 3 . 1 1 16 16 ARG CB C 16 30.605 30.605 30.356 0.249 18518 1431 1 3 . 1 1 16 16 ARG H H 16 8.645 8.645 7.995 0.650 18518 1432 1 3 . 1 1 17 17 VAL N N 17 117.630 117.630 120.785 -3.155 18518 1433 1 3 . 1 1 17 17 VAL HA H 17 3.857 3.857 3.567 0.290 18518 1434 1 3 . 1 1 17 17 VAL C C 17 179.748 179.748 177.012 2.736 18518 1435 1 3 . 1 1 17 17 VAL CA C 17 65.726 65.726 65.557 0.169 18518 1436 1 3 . 1 1 17 17 VAL CB C 17 32.194 32.194 31.811 0.383 18518 1437 1 3 . 1 1 17 17 VAL H H 17 8.373 8.373 8.190 0.183 18518 1438 1 3 . 1 1 18 18 GLU N N 18 120.864 120.864 119.809 1.055 18518 1439 1 3 . 1 1 18 18 GLU HA H 18 4.302 4.302 3.867 0.435 18518 1440 1 3 . 1 1 18 18 GLU C C 18 177.728 177.728 178.175 -0.447 18518 1441 1 3 . 1 1 18 18 GLU CA C 18 58.486 58.486 59.932 -1.446 18518 1442 1 3 . 1 1 18 18 GLU CB C 18 29.382 29.382 29.444 -0.062 18518 1443 1 3 . 1 1 18 18 GLU H H 18 7.368 7.368 8.633 -1.265 18518 1444 1 3 . 1 1 19 19 ASP N N 19 121.425 121.425 120.259 1.166 18518 1445 1 3 . 1 1 19 19 ASP HA H 19 4.434 4.434 4.439 -0.005 18518 1446 1 3 . 1 1 19 19 ASP C C 19 179.978 179.978 178.896 1.082 18518 1447 1 3 . 1 1 19 19 ASP CA C 19 57.422 57.422 57.257 0.165 18518 1448 1 3 . 1 1 19 19 ASP CB C 19 41.287 41.287 40.555 0.732 18518 1449 1 3 . 1 1 19 19 ASP H H 19 8.671 8.671 7.982 0.689 18518 1450 1 3 . 1 1 20 20 VAL N N 20 119.730 119.730 120.075 -0.345 18518 1451 1 3 . 1 1 20 20 VAL HA H 20 3.205 3.205 3.229 -0.024 18518 1452 1 3 . 1 1 20 20 VAL C C 20 176.284 176.284 177.536 -1.252 18518 1453 1 3 . 1 1 20 20 VAL CA C 20 66.315 66.315 67.024 -0.709 18518 1454 1 3 . 1 1 20 20 VAL CB C 20 31.107 31.107 31.395 -0.288 18518 1455 1 3 . 1 1 20 20 VAL H H 20 7.999 7.999 7.650 0.349 18518 1456 1 3 . 1 1 21 21 ARG N N 21 121.455 121.455 119.593 1.862 18518 1457 1 3 . 1 1 21 21 ARG HA H 21 3.814 3.814 3.908 -0.094 18518 1458 1 3 . 1 1 21 21 ARG C C 21 180.120 180.120 178.456 1.664 18518 1459 1 3 . 1 1 21 21 ARG CA C 21 59.830 59.830 58.686 1.144 18518 1460 1 3 . 1 1 21 21 ARG CB C 21 29.946 29.946 29.089 0.857 18518 1461 1 3 . 1 1 21 21 ARG H H 21 8.098 8.098 7.830 0.268 18518 1462 1 3 . 1 1 22 22 LEU N N 22 117.826 117.826 121.562 -3.736 18518 1463 1 3 . 1 1 22 22 LEU HA H 22 4.049 4.049 4.065 -0.016 18518 1464 1 3 . 1 1 22 22 LEU C C 22 180.115 180.115 178.622 1.493 18518 1465 1 3 . 1 1 22 22 LEU CA C 22 57.790 57.790 57.968 -0.178 18518 1466 1 3 . 1 1 22 22 LEU CB C 22 42.142 42.142 41.781 0.361 18518 1467 1 3 . 1 1 22 22 LEU H H 22 8.207 8.207 8.301 -0.094 18518 1468 1 3 . 1 1 23 23 ILE N N 23 121.450 121.450 119.201 2.249 18518 1469 1 3 . 1 1 23 23 ILE HA H 23 4.013 4.013 3.625 0.388 18518 1470 1 3 . 1 1 23 23 ILE C C 23 178.149 178.149 177.892 0.257 18518 1471 1 3 . 1 1 23 23 ILE CA C 23 62.171 62.171 64.704 -2.533 18518 1472 1 3 . 1 1 23 23 ILE CB C 23 38.106 38.106 37.625 0.481 18518 1473 1 3 . 1 1 23 23 ILE H H 23 8.105 8.105 7.938 0.167 18518 1474 1 3 . 1 1 24 24 ARG N N 24 121.139 121.139 119.381 1.758 18518 1475 1 3 . 1 1 24 24 ARG HA H 24 3.987 3.987 4.015 -0.028 18518 1476 1 3 . 1 1 24 24 ARG C C 24 178.702 178.702 179.031 -0.329 18518 1477 1 3 . 1 1 24 24 ARG CA C 24 57.718 57.718 58.898 -1.180 18518 1478 1 3 . 1 1 24 24 ARG CB C 24 28.769 28.769 29.689 -0.920 18518 1479 1 3 . 1 1 24 24 ARG H H 24 8.601 8.601 8.231 0.370 18518 1480 1 3 . 1 1 25 25 GLU N N 25 118.054 118.054 118.520 -0.466 18518 1481 1 3 . 1 1 25 25 GLU HA H 25 4.026 4.026 4.071 -0.045 18518 1482 1 3 . 1 1 25 25 GLU C C 25 178.492 178.492 178.167 0.325 18518 1483 1 3 . 1 1 25 25 GLU CA C 25 58.780 58.780 58.554 0.225 18518 1484 1 3 . 1 1 25 25 GLU CB C 25 30.001 30.001 29.723 0.278 18518 1485 1 3 . 1 1 25 25 GLU H H 25 7.423 7.423 8.044 -0.621 18518 1486 1 3 . 1 1 26 26 GLN N N 26 116.350 116.350 116.757 -0.407 18518 1487 1 3 . 1 1 26 26 GLN HA H 26 3.936 3.936 4.052 -0.116 18518 1488 1 3 . 1 1 26 26 GLN C C 26 176.305 176.305 176.933 -0.628 18518 1489 1 3 . 1 1 26 26 GLN CA C 26 57.503 57.503 57.258 0.245 18518 1490 1 3 . 1 1 26 26 GLN CB C 26 30.207 30.207 29.479 0.728 18518 1491 1 3 . 1 1 26 26 GLN H H 26 7.524 7.524 7.598 -0.074 18518 1492 1 3 . 1 1 27 27 HIS N N 27 116.017 116.017 118.357 -2.340 18518 1493 1 3 . 1 1 27 27 HIS HA H 27 4.930 4.930 5.056 -0.126 18518 1494 1 3 . 1 1 27 27 HIS CA C 27 53.054 53.054 52.684 0.369 18518 1495 1 3 . 1 1 27 27 HIS CB C 27 30.747 30.747 29.697 1.050 18518 1496 1 3 . 1 1 27 27 HIS H H 27 8.284 8.284 8.149 0.135 18518 1497 1 3 . 1 1 28 28 PRO HA H 28 4.581 4.581 4.498 0.083 18518 1498 1 3 . 1 1 28 28 PRO CA C 28 64.919 64.919 64.535 0.384 18518 1499 1 3 . 1 1 28 28 PRO CB C 28 32.455 32.455 32.280 0.175 18518 1500 1 3 . 1 1 29 29 THR N N 29 107.011 107.011 107.304 -0.293 18518 1501 1 3 . 1 1 29 29 THR HA H 29 4.599 4.599 4.340 0.259 18518 1502 1 3 . 1 1 29 29 THR C C 29 172.884 172.884 174.258 -1.374 18518 1503 1 3 . 1 1 29 29 THR CA C 29 60.810 60.810 61.692 -0.882 18518 1504 1 3 . 1 1 29 29 THR CB C 29 68.531 68.531 68.660 -0.129 18518 1505 1 3 . 1 1 29 29 THR H H 29 7.890 7.890 8.267 -0.377 18518 1506 1 3 . 1 1 30 30 LYS N N 30 117.679 117.679 121.019 -3.340 18518 1507 1 3 . 1 1 30 30 LYS HA H 30 4.858 4.858 4.895 -0.037 18518 1508 1 3 . 1 1 30 30 LYS C C 30 174.310 174.310 174.727 -0.417 18518 1509 1 3 . 1 1 30 30 LYS CA C 30 53.751 53.751 53.962 -0.211 18518 1510 1 3 . 1 1 30 30 LYS CB C 30 35.804 35.804 35.584 0.220 18518 1511 1 3 . 1 1 30 30 LYS H H 30 7.441 7.441 7.512 -0.071 18518 1512 1 3 . 1 1 31 31 ILE N N 31 122.849 122.849 121.023 1.826 18518 1513 1 3 . 1 1 31 31 ILE HA H 31 4.105 4.105 4.508 -0.403 18518 1514 1 3 . 1 1 31 31 ILE CA C 31 54.801 54.801 56.403 -1.602 18518 1515 1 3 . 1 1 31 31 ILE CB C 31 38.265 38.265 39.329 -1.064 18518 1516 1 3 . 1 1 31 31 ILE H H 31 9.304 9.304 8.966 0.338 18518 1517 1 3 . 1 1 32 32 PRO HA H 32 5.159 5.159 5.119 0.040 18518 1518 1 3 . 1 1 32 32 PRO C C 32 174.164 174.164 175.865 -1.701 18518 1519 1 3 . 1 1 32 32 PRO CA C 32 61.503 61.503 61.736 -0.233 18518 1520 1 3 . 1 1 32 32 PRO CB C 32 31.145 31.145 31.754 -0.609 18518 1521 1 3 . 1 1 33 33 VAL N N 33 125.606 125.606 124.399 1.207 18518 1522 1 3 . 1 1 33 33 VAL HA H 33 5.213 5.213 4.918 0.294 18518 1523 1 3 . 1 1 33 33 VAL C C 33 173.654 173.654 173.714 -0.060 18518 1524 1 3 . 1 1 33 33 VAL CA C 33 60.044 60.044 59.179 0.865 18518 1525 1 3 . 1 1 33 33 VAL CB C 33 35.604 35.604 35.879 -0.275 18518 1526 1 3 . 1 1 33 33 VAL H H 33 9.424 9.424 8.676 0.748 18518 1527 1 3 . 1 1 34 34 ILE N N 34 128.241 128.241 126.372 1.869 18518 1528 1 3 . 1 1 34 34 ILE HA H 34 4.833 4.833 4.725 0.108 18518 1529 1 3 . 1 1 34 34 ILE C C 34 175.605 175.605 174.733 0.872 18518 1530 1 3 . 1 1 34 34 ILE CA C 34 56.765 56.765 57.930 -1.165 18518 1531 1 3 . 1 1 34 34 ILE CB C 34 36.799 36.799 38.017 -1.218 18518 1532 1 3 . 1 1 34 34 ILE H H 34 8.721 8.721 9.044 -0.323 18518 1533 1 3 . 1 1 35 35 ILE N N 35 125.650 125.650 128.857 -3.207 18518 1534 1 3 . 1 1 35 35 ILE HA H 35 4.836 4.836 4.613 0.223 18518 1535 1 3 . 1 1 35 35 ILE C C 35 174.887 174.887 174.399 0.488 18518 1536 1 3 . 1 1 35 35 ILE CA C 35 60.945 60.945 60.452 0.493 18518 1537 1 3 . 1 1 35 35 ILE CB C 35 39.210 39.210 39.317 -0.107 18518 1538 1 3 . 1 1 35 35 ILE H H 35 9.034 9.034 9.019 0.015 18518 1539 1 3 . 1 1 36 36 GLU N N 36 122.657 122.657 127.749 -5.092 18518 1540 1 3 . 1 1 36 36 GLU HA H 36 4.861 4.861 4.761 0.100 18518 1541 1 3 . 1 1 36 36 GLU C C 36 173.848 173.848 174.333 -0.485 18518 1542 1 3 . 1 1 36 36 GLU CA C 36 53.932 53.932 54.049 -0.117 18518 1543 1 3 . 1 1 36 36 GLU CB C 36 35.282 35.282 34.070 1.212 18518 1544 1 3 . 1 1 36 36 GLU H H 36 8.303 8.303 8.744 -0.441 18518 1545 1 3 . 1 1 37 37 ARG N N 37 123.228 123.228 124.008 -0.780 18518 1546 1 3 . 1 1 37 37 ARG HA H 37 2.726 2.726 3.223 -0.497 18518 1547 1 3 . 1 1 37 37 ARG C C 37 176.359 176.359 175.761 0.598 18518 1548 1 3 . 1 1 37 37 ARG CA C 37 56.359 56.359 56.081 0.278 18518 1549 1 3 . 1 1 37 37 ARG CB C 37 31.341 31.341 31.064 0.277 18518 1550 1 3 . 1 1 37 37 ARG H H 37 8.856 8.856 8.469 0.387 18518 1551 1 3 . 1 1 38 38 TYR N N 38 128.981 128.981 127.335 1.646 18518 1552 1 3 . 1 1 38 38 TYR HA H 38 4.352 4.352 4.319 0.033 18518 1553 1 3 . 1 1 38 38 TYR C C 38 177.316 177.316 177.038 0.278 18518 1554 1 3 . 1 1 38 38 TYR CA C 38 57.712 57.712 58.506 -0.794 18518 1555 1 3 . 1 1 38 38 TYR CB C 38 39.472 39.472 40.116 -0.644 18518 1556 1 3 . 1 1 38 38 TYR H H 38 8.628 8.628 8.488 0.140 18518 1557 1 3 . 1 1 39 39 LYS N N 39 130.635 130.635 125.577 5.058 18518 1558 1 3 . 1 1 39 39 LYS HA H 39 3.822 3.822 3.757 0.065 18518 1559 1 3 . 1 1 39 39 LYS CA C 39 58.887 58.887 58.090 0.797 18518 1560 1 3 . 1 1 39 39 LYS CB C 39 31.771 31.771 31.570 0.201 18518 1561 1 3 . 1 1 39 39 LYS H H 39 8.594 8.594 7.756 0.838 18518 1562 1 3 . 1 1 40 40 GLY C C 40 173.447 173.447 174.089 -0.642 18518 1563 1 3 . 1 1 40 40 GLY CA C 40 44.663 44.663 44.043 0.620 18518 1564 1 3 . 1 1 40 40 GLY H H 40 5.188 5.188 6.412 -1.224 18518 1565 1 3 . 1 1 41 41 GLU N N 41 122.836 122.836 120.413 2.423 18518 1566 1 3 . 1 1 41 41 GLU HA H 41 4.257 4.257 4.334 -0.077 18518 1567 1 3 . 1 1 41 41 GLU C C 41 176.524 176.524 175.938 0.586 18518 1568 1 3 . 1 1 41 41 GLU CA C 41 56.525 56.525 57.292 -0.767 18518 1569 1 3 . 1 1 41 41 GLU CB C 41 30.985 30.985 30.054 0.931 18518 1570 1 3 . 1 1 41 41 GLU H H 41 7.380 7.380 7.315 0.065 18518 1571 1 3 . 1 1 42 42 LYS N N 42 124.040 124.040 123.562 0.478 18518 1572 1 3 . 1 1 42 42 LYS HA H 42 4.675 4.675 4.521 0.154 18518 1573 1 3 . 1 1 42 42 LYS C C 42 177.538 177.538 177.491 0.047 18518 1574 1 3 . 1 1 42 42 LYS CA C 42 55.840 55.840 56.861 -1.020 18518 1575 1 3 . 1 1 42 42 LYS CB C 42 34.979 34.979 33.719 1.260 18518 1576 1 3 . 1 1 42 42 LYS H H 42 9.034 9.034 8.637 0.397 18518 1577 1 3 . 1 1 43 43 GLN N N 43 119.259 119.259 119.510 -0.251 18518 1578 1 3 . 1 1 43 43 GLN HA H 43 4.542 4.542 4.271 0.271 18518 1579 1 3 . 1 1 43 43 GLN C C 43 177.336 177.336 176.206 1.130 18518 1580 1 3 . 1 1 43 43 GLN CA C 43 57.673 57.673 57.501 0.172 18518 1581 1 3 . 1 1 43 43 GLN CB C 43 30.782 30.782 29.063 1.719 18518 1582 1 3 . 1 1 43 43 GLN H H 43 8.435 8.435 8.389 0.046 18518 1583 1 3 . 1 1 44 44 LEU N N 44 120.760 120.760 121.878 -1.118 18518 1584 1 3 . 1 1 44 44 LEU HA H 44 4.695 4.695 4.675 0.020 18518 1585 1 3 . 1 1 44 44 LEU CA C 44 53.245 53.245 52.097 1.148 18518 1586 1 3 . 1 1 44 44 LEU CB C 44 43.596 43.596 42.543 1.053 18518 1587 1 3 . 1 1 44 44 LEU H H 44 9.126 9.126 7.735 1.391 18518 1588 1 3 . 1 1 45 45 PRO HA H 45 4.717 4.717 4.617 0.100 18518 1589 1 3 . 1 1 45 45 PRO C C 45 175.797 175.797 176.574 -0.777 18518 1590 1 3 . 1 1 45 45 PRO CA C 45 62.111 62.111 62.432 -0.321 18518 1591 1 3 . 1 1 45 45 PRO CB C 45 32.592 32.592 32.586 0.007 18518 1592 1 3 . 1 1 46 46 VAL N N 46 119.052 119.052 121.555 -2.503 18518 1593 1 3 . 1 1 46 46 VAL HA H 46 3.867 3.867 4.269 -0.402 18518 1594 1 3 . 1 1 46 46 VAL C C 46 175.640 175.640 176.189 -0.549 18518 1595 1 3 . 1 1 46 46 VAL CA C 46 62.944 62.944 62.018 0.926 18518 1596 1 3 . 1 1 46 46 VAL CB C 46 32.799 32.799 33.190 -0.391 18518 1597 1 3 . 1 1 46 46 VAL H H 46 8.543 8.543 8.213 0.330 18518 1598 1 3 . 1 1 47 47 LEU N N 47 130.203 130.203 127.264 2.939 18518 1599 1 3 . 1 1 47 47 LEU HA H 47 4.309 4.309 4.481 -0.172 18518 1600 1 3 . 1 1 47 47 LEU C C 47 176.198 176.198 177.363 -1.165 18518 1601 1 3 . 1 1 47 47 LEU CA C 47 55.006 55.006 55.340 -0.334 18518 1602 1 3 . 1 1 47 47 LEU CB C 47 43.832 43.832 42.265 1.567 18518 1603 1 3 . 1 1 47 47 LEU H H 47 7.799 7.799 8.473 -0.674 18518 1604 1 3 . 1 1 48 48 ASP N N 48 122.403 122.403 121.598 0.805 18518 1605 1 3 . 1 1 48 48 ASP HA H 48 4.263 4.263 4.542 -0.279 18518 1606 1 3 . 1 1 48 48 ASP C C 48 175.294 175.294 175.637 -0.343 18518 1607 1 3 . 1 1 48 48 ASP CA C 48 55.832 55.832 56.100 -0.268 18518 1608 1 3 . 1 1 48 48 ASP CB C 48 40.184 40.184 41.385 -1.201 18518 1609 1 3 . 1 1 48 48 ASP H H 48 8.780 8.780 8.568 0.212 18518 1610 1 3 . 1 1 49 49 LYS N N 49 119.569 119.569 117.254 2.315 18518 1611 1 3 . 1 1 49 49 LYS HA H 49 4.585 4.585 4.508 0.077 18518 1612 1 3 . 1 1 49 49 LYS C C 49 174.678 174.678 175.455 -0.777 18518 1613 1 3 . 1 1 49 49 LYS CA C 49 53.652 53.652 55.564 -1.912 18518 1614 1 3 . 1 1 49 49 LYS CB C 49 35.945 35.945 35.229 0.716 18518 1615 1 3 . 1 1 49 49 LYS H H 49 7.280 7.280 8.030 -0.750 18518 1616 1 3 . 1 1 50 50 THR N N 50 110.862 110.862 109.393 1.469 18518 1617 1 3 . 1 1 50 50 THR HA H 50 4.811 4.811 4.765 0.046 18518 1618 1 3 . 1 1 50 50 THR C C 50 172.425 172.425 174.548 -2.123 18518 1619 1 3 . 1 1 50 50 THR CA C 50 62.645 62.645 61.928 0.717 18518 1620 1 3 . 1 1 50 50 THR CB C 50 71.648 71.648 69.890 1.758 18518 1621 1 3 . 1 1 50 50 THR H H 50 8.042 8.042 8.294 -0.252 18518 1622 1 3 . 1 1 51 51 LYS N N 51 120.008 120.008 122.791 -2.783 18518 1623 1 3 . 1 1 51 51 LYS HA H 51 4.625 4.625 4.558 0.067 18518 1624 1 3 . 1 1 51 51 LYS C C 51 175.082 175.082 175.919 -0.837 18518 1625 1 3 . 1 1 51 51 LYS CA C 51 54.704 54.704 57.047 -2.343 18518 1626 1 3 . 1 1 51 51 LYS CB C 51 32.376 32.376 32.896 -0.520 18518 1627 1 3 . 1 1 51 51 LYS H H 51 7.119 7.119 7.751 -0.632 18518 1628 1 3 . 1 1 52 52 PHE N N 52 122.640 122.640 124.188 -1.548 18518 1629 1 3 . 1 1 52 52 PHE HA H 52 5.337 5.337 4.737 0.600 18518 1630 1 3 . 1 1 52 52 PHE C C 52 174.213 174.213 174.038 0.175 18518 1631 1 3 . 1 1 52 52 PHE CA C 52 56.611 56.611 56.998 -0.387 18518 1632 1 3 . 1 1 52 52 PHE CB C 52 43.140 43.140 43.404 -0.264 18518 1633 1 3 . 1 1 52 52 PHE H H 52 9.709 9.709 9.217 0.492 18518 1634 1 3 . 1 1 53 53 LEU N N 53 122.157 122.157 122.717 -0.560 18518 1635 1 3 . 1 1 53 53 LEU HA H 53 4.947 4.947 5.246 -0.299 18518 1636 1 3 . 1 1 53 53 LEU C C 53 175.769 175.769 175.498 0.271 18518 1637 1 3 . 1 1 53 53 LEU CA C 53 52.957 52.957 53.684 -0.727 18518 1638 1 3 . 1 1 53 53 LEU CB C 53 44.415 44.415 44.284 0.131 18518 1639 1 3 . 1 1 53 53 LEU H H 53 8.959 8.959 8.391 0.568 18518 1640 1 3 . 1 1 54 54 VAL N N 54 124.919 124.919 122.746 2.173 18518 1641 1 3 . 1 1 54 54 VAL HA H 54 4.559 4.559 4.531 0.028 18518 1642 1 3 . 1 1 54 54 VAL CA C 54 59.130 59.130 58.250 0.880 18518 1643 1 3 . 1 1 54 54 VAL CB C 54 34.968 34.968 34.744 0.224 18518 1644 1 3 . 1 1 54 54 VAL H H 54 8.922 8.922 8.777 0.145 18518 1645 1 3 . 1 1 55 55 PRO HA H 55 4.441 4.441 4.897 -0.456 18518 1646 1 3 . 1 1 55 55 PRO C C 55 176.594 176.594 177.690 -1.096 18518 1647 1 3 . 1 1 55 55 PRO CA C 55 64.315 64.315 62.044 2.271 18518 1648 1 3 . 1 1 55 55 PRO CB C 55 32.665 32.665 32.372 0.293 18518 1649 1 3 . 1 1 56 56 ASP N N 56 120.522 120.522 121.038 -0.516 18518 1650 1 3 . 1 1 56 56 ASP HA H 56 3.862 3.862 4.277 -0.415 18518 1651 1 3 . 1 1 56 56 ASP C C 56 175.809 175.809 176.123 -0.314 18518 1652 1 3 . 1 1 56 56 ASP CA C 56 56.749 56.749 56.519 0.230 18518 1653 1 3 . 1 1 56 56 ASP CB C 56 40.510 40.510 40.496 0.014 18518 1654 1 3 . 1 1 56 56 ASP H H 56 8.347 8.347 8.236 0.112 18518 1655 1 3 . 1 1 57 57 HIS N N 57 113.482 113.482 114.266 -0.784 18518 1656 1 3 . 1 1 57 57 HIS HA H 57 4.720 4.720 4.676 0.044 18518 1657 1 3 . 1 1 57 57 HIS C C 57 176.507 176.507 175.175 1.332 18518 1658 1 3 . 1 1 57 57 HIS CA C 57 55.589 55.589 55.300 0.289 18518 1659 1 3 . 1 1 57 57 HIS CB C 57 30.643 30.643 29.113 1.530 18518 1660 1 3 . 1 1 57 57 HIS H H 57 7.557 7.557 7.806 -0.249 18518 1661 1 3 . 1 1 58 58 VAL N N 58 123.279 123.279 121.408 1.871 18518 1662 1 3 . 1 1 58 58 VAL HA H 58 3.836 3.836 4.177 -0.341 18518 1663 1 3 . 1 1 58 58 VAL C C 58 175.019 175.019 174.560 0.459 18518 1664 1 3 . 1 1 58 58 VAL CA C 58 62.823 62.823 60.876 1.947 18518 1665 1 3 . 1 1 58 58 VAL CB C 58 32.310 32.310 34.147 -1.837 18518 1666 1 3 . 1 1 58 58 VAL H H 58 7.345 7.345 7.499 -0.154 18518 1667 1 3 . 1 1 59 59 ASN N N 59 123.781 123.781 122.150 1.631 18518 1668 1 3 . 1 1 59 59 ASN HA H 59 5.126 5.126 5.160 -0.034 18518 1669 1 3 . 1 1 59 59 ASN C C 59 176.558 176.558 176.495 0.063 18518 1670 1 3 . 1 1 59 59 ASN CA C 59 51.485 51.485 51.881 -0.396 18518 1671 1 3 . 1 1 59 59 ASN CB C 59 40.107 40.107 40.536 -0.429 18518 1672 1 3 . 1 1 59 59 ASN H H 59 8.735 8.735 8.453 0.282 18518 1673 1 3 . 1 1 60 60 MET N N 60 117.453 117.453 119.571 -2.118 18518 1674 1 3 . 1 1 60 60 MET HA H 60 4.395 4.395 4.097 0.298 18518 1675 1 3 . 1 1 60 60 MET C C 60 178.144 178.144 178.131 0.013 18518 1676 1 3 . 1 1 60 60 MET CA C 60 57.097 57.097 57.342 -0.244 18518 1677 1 3 . 1 1 60 60 MET CB C 60 30.140 30.140 30.755 -0.615 18518 1678 1 3 . 1 1 60 60 MET H H 60 8.227 8.227 8.868 -0.641 18518 1679 1 3 . 1 1 61 61 SER N N 61 114.216 114.216 115.372 -1.156 18518 1680 1 3 . 1 1 61 61 SER HA H 61 4.111 4.111 4.049 0.062 18518 1681 1 3 . 1 1 61 61 SER C C 61 177.335 177.335 176.388 0.947 18518 1682 1 3 . 1 1 61 61 SER CA C 61 61.590 61.590 62.527 -0.937 18518 1683 1 3 . 1 1 61 61 SER CB C 61 62.402 62.402 62.886 -0.485 18518 1684 1 3 . 1 1 61 61 SER H H 61 8.464 8.464 8.507 -0.043 18518 1685 1 3 . 1 1 62 62 GLU N N 62 123.004 123.004 121.483 1.521 18518 1686 1 3 . 1 1 62 62 GLU HA H 62 4.047 4.047 4.102 -0.055 18518 1687 1 3 . 1 1 62 62 GLU C C 62 178.686 178.686 178.663 0.023 18518 1688 1 3 . 1 1 62 62 GLU CA C 62 58.625 58.625 58.847 -0.222 18518 1689 1 3 . 1 1 62 62 GLU CB C 62 29.654 29.654 28.916 0.738 18518 1690 1 3 . 1 1 62 62 GLU H H 62 7.994 7.994 7.781 0.213 18518 1691 1 3 . 1 1 63 63 LEU N N 63 120.818 120.818 121.900 -1.082 18518 1692 1 3 . 1 1 63 63 LEU HA H 63 3.965 3.965 4.001 -0.036 18518 1693 1 3 . 1 1 63 63 LEU C C 63 178.046 178.046 178.520 -0.474 18518 1694 1 3 . 1 1 63 63 LEU CA C 63 57.920 57.920 57.920 -0.000 18518 1695 1 3 . 1 1 63 63 LEU CB C 63 41.624 41.624 41.396 0.228 18518 1696 1 3 . 1 1 63 63 LEU H H 63 8.130 8.130 7.834 0.296 18518 1697 1 3 . 1 1 64 64 ILE N N 64 118.528 118.528 120.409 -1.881 18518 1698 1 3 . 1 1 64 64 ILE HA H 64 3.369 3.369 3.520 -0.151 18518 1699 1 3 . 1 1 64 64 ILE C C 64 177.127 177.127 177.580 -0.453 18518 1700 1 3 . 1 1 64 64 ILE CA C 64 66.678 66.678 66.337 0.341 18518 1701 1 3 . 1 1 64 64 ILE CB C 64 38.444 38.444 37.731 0.713 18518 1702 1 3 . 1 1 64 64 ILE H H 64 8.488 8.488 8.625 -0.137 18518 1703 1 3 . 1 1 65 65 LYS N N 65 118.336 118.336 120.522 -2.186 18518 1704 1 3 . 1 1 65 65 LYS HA H 65 3.701 3.701 3.871 -0.170 18518 1705 1 3 . 1 1 65 65 LYS C C 65 179.291 179.291 179.090 0.201 18518 1706 1 3 . 1 1 65 65 LYS CA C 65 60.440 60.440 60.016 0.424 18518 1707 1 3 . 1 1 65 65 LYS CB C 65 32.371 32.371 32.298 0.073 18518 1708 1 3 . 1 1 65 65 LYS H H 65 7.347 7.347 7.631 -0.284 18518 1709 1 3 . 1 1 66 66 ILE N N 66 120.171 120.171 119.999 0.172 18518 1710 1 3 . 1 1 66 66 ILE HA H 66 3.578 3.578 3.632 -0.054 18518 1711 1 3 . 1 1 66 66 ILE C C 66 178.873 178.873 178.124 0.749 18518 1712 1 3 . 1 1 66 66 ILE CA C 66 65.160 65.160 65.395 -0.235 18518 1713 1 3 . 1 1 66 66 ILE CB C 66 38.633 38.633 37.994 0.639 18518 1714 1 3 . 1 1 66 66 ILE H H 66 7.901 7.901 8.179 -0.278 18518 1715 1 3 . 1 1 67 67 ILE N N 67 121.185 121.185 120.379 0.806 18518 1716 1 3 . 1 1 67 67 ILE HA H 67 3.446 3.446 3.531 -0.085 18518 1717 1 3 . 1 1 67 67 ILE C C 67 177.150 177.150 177.657 -0.507 18518 1718 1 3 . 1 1 67 67 ILE CA C 67 62.806 62.806 64.741 -1.935 18518 1719 1 3 . 1 1 67 67 ILE CB C 67 34.995 34.995 37.499 -2.505 18518 1720 1 3 . 1 1 67 67 ILE H H 67 8.290 8.290 8.015 0.275 18518 1721 1 3 . 1 1 68 68 ARG N N 68 119.173 119.173 118.505 0.668 18518 1722 1 3 . 1 1 68 68 ARG HA H 68 2.931 2.931 3.655 -0.724 18518 1723 1 3 . 1 1 68 68 ARG C C 68 178.496 178.496 178.472 0.024 18518 1724 1 3 . 1 1 68 68 ARG CA C 68 60.636 60.636 59.600 1.036 18518 1725 1 3 . 1 1 68 68 ARG CB C 68 30.440 30.440 29.589 0.851 18518 1726 1 3 . 1 1 68 68 ARG H H 68 8.438 8.438 8.345 0.093 18518 1727 1 3 . 1 1 69 69 ARG N N 69 116.511 116.511 120.180 -3.669 18518 1728 1 3 . 1 1 69 69 ARG HA H 69 4.134 4.134 3.950 0.184 18518 1729 1 3 . 1 1 69 69 ARG C C 69 180.262 180.262 179.083 1.179 18518 1730 1 3 . 1 1 69 69 ARG CA C 69 58.707 58.707 59.716 -1.009 18518 1731 1 3 . 1 1 69 69 ARG CB C 69 29.953 29.953 30.211 -0.258 18518 1732 1 3 . 1 1 69 69 ARG H H 69 7.497 7.497 8.396 -0.899 18518 1733 1 3 . 1 1 70 70 ARG N N 70 123.297 123.297 119.819 3.478 18518 1734 1 3 . 1 1 70 70 ARG HA H 70 4.016 4.016 4.101 -0.085 18518 1735 1 3 . 1 1 70 70 ARG C C 70 178.700 178.700 178.274 0.426 18518 1736 1 3 . 1 1 70 70 ARG CA C 70 59.460 59.460 58.758 0.702 18518 1737 1 3 . 1 1 70 70 ARG CB C 70 30.312 30.312 29.609 0.703 18518 1738 1 3 . 1 1 70 70 ARG H H 70 8.075 8.075 7.969 0.106 18518 1739 1 3 . 1 1 71 71 LEU N N 71 116.829 116.829 117.703 -0.874 18518 1740 1 3 . 1 1 71 71 LEU HA H 71 4.065 4.065 4.260 -0.195 18518 1741 1 3 . 1 1 71 71 LEU C C 71 174.956 174.956 176.056 -1.100 18518 1742 1 3 . 1 1 71 71 LEU CA C 71 55.126 55.126 55.011 0.115 18518 1743 1 3 . 1 1 71 71 LEU CB C 71 43.246 43.246 42.037 1.209 18518 1744 1 3 . 1 1 71 71 LEU H H 71 7.719 7.719 7.643 0.076 18518 1745 1 3 . 1 1 72 72 GLN N N 72 114.991 114.991 113.122 1.869 18518 1746 1 3 . 1 1 72 72 GLN HA H 72 3.836 3.836 3.868 -0.032 18518 1747 1 3 . 1 1 72 72 GLN C C 72 175.683 175.683 175.402 0.281 18518 1748 1 3 . 1 1 72 72 GLN CA C 72 56.325 56.325 56.266 0.059 18518 1749 1 3 . 1 1 72 72 GLN CB C 72 26.004 26.004 25.576 0.428 18518 1750 1 3 . 1 1 72 72 GLN H H 72 7.744 7.744 7.666 0.078 18518 1751 1 3 . 1 1 73 73 LEU N N 73 115.045 115.045 119.384 -4.339 18518 1752 1 3 . 1 1 73 73 LEU HA H 73 4.236 4.236 4.009 0.227 18518 1753 1 3 . 1 1 73 73 LEU C C 73 178.762 178.762 176.823 1.939 18518 1754 1 3 . 1 1 73 73 LEU CA C 73 54.386 54.386 55.492 -1.106 18518 1755 1 3 . 1 1 73 73 LEU CB C 73 42.091 42.091 42.073 0.018 18518 1756 1 3 . 1 1 73 73 LEU H H 73 7.500 7.500 7.876 -0.376 18518 1757 1 3 . 1 1 74 74 ASN N N 74 121.700 121.700 124.041 -2.341 18518 1758 1 3 . 1 1 74 74 ASN HA H 74 4.690 4.690 4.482 0.208 18518 1759 1 3 . 1 1 74 74 ASN C C 74 176.617 176.617 175.910 0.707 18518 1760 1 3 . 1 1 74 74 ASN CA C 74 52.685 52.685 54.184 -1.498 18518 1761 1 3 . 1 1 74 74 ASN CB C 74 39.598 39.598 39.713 -0.115 18518 1762 1 3 . 1 1 74 74 ASN H H 74 9.045 9.045 8.373 0.672 18518 1763 1 3 . 1 1 75 75 ALA N N 75 123.952 123.952 123.953 -0.001 18518 1764 1 3 . 1 1 75 75 ALA HA H 75 3.964 3.964 4.323 -0.359 18518 1765 1 3 . 1 1 75 75 ALA C C 75 178.131 178.131 176.892 1.239 18518 1766 1 3 . 1 1 75 75 ALA CA C 75 54.868 54.868 53.008 1.860 18518 1767 1 3 . 1 1 75 75 ALA CB C 75 18.718 18.718 18.820 -0.102 18518 1768 1 3 . 1 1 75 75 ALA H H 75 8.784 8.784 8.617 0.167 18518 1769 1 3 . 1 1 76 76 ASN N N 76 112.295 112.295 114.633 -2.338 18518 1770 1 3 . 1 1 76 76 ASN HA H 76 4.580 4.580 4.732 -0.152 18518 1771 1 3 . 1 1 76 76 ASN C C 76 175.448 175.448 174.717 0.731 18518 1772 1 3 . 1 1 76 76 ASN CA C 76 53.214 53.214 52.957 0.257 18518 1773 1 3 . 1 1 76 76 ASN CB C 76 38.320 38.320 39.874 -1.554 18518 1774 1 3 . 1 1 76 76 ASN H H 76 8.391 8.391 8.313 0.078 18518 1775 1 3 . 1 1 77 77 GLN N N 77 120.577 120.577 119.638 0.939 18518 1776 1 3 . 1 1 77 77 GLN HA H 77 4.273 4.273 4.688 -0.415 18518 1777 1 3 . 1 1 77 77 GLN C C 77 175.045 175.045 173.863 1.182 18518 1778 1 3 . 1 1 77 77 GLN CA C 77 55.805 55.805 55.011 0.794 18518 1779 1 3 . 1 1 77 77 GLN CB C 77 30.157 30.157 30.766 -0.609 18518 1780 1 3 . 1 1 77 77 GLN H H 77 7.552 7.552 7.503 0.049 18518 1781 1 3 . 1 1 78 78 ALA N N 78 130.670 130.670 123.751 6.919 18518 1782 1 3 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.584 -0.413 18518 1783 1 3 . 1 1 78 78 ALA C C 78 176.512 176.512 175.400 1.112 18518 1784 1 3 . 1 1 78 78 ALA CA C 78 52.842 52.842 51.320 1.522 18518 1785 1 3 . 1 1 78 78 ALA CB C 78 20.060 20.060 21.469 -1.409 18518 1786 1 3 . 1 1 78 78 ALA H H 78 8.799 8.799 8.706 0.093 18518 1787 1 3 . 1 1 79 79 PHE N N 79 119.325 119.325 117.468 1.857 18518 1788 1 3 . 1 1 79 79 PHE HA H 79 4.434 4.434 5.266 -0.832 18518 1789 1 3 . 1 1 79 79 PHE C C 79 171.726 171.726 172.586 -0.860 18518 1790 1 3 . 1 1 79 79 PHE CA C 79 59.145 59.145 55.337 3.808 18518 1791 1 3 . 1 1 79 79 PHE CB C 79 42.171 42.171 41.916 0.255 18518 1792 1 3 . 1 1 79 79 PHE H H 79 7.664 7.664 8.283 -0.619 18518 1793 1 3 . 1 1 80 80 PHE N N 80 126.314 126.314 116.698 9.616 18518 1794 1 3 . 1 1 80 80 PHE HA H 80 4.392 4.392 4.579 -0.187 18518 1795 1 3 . 1 1 80 80 PHE C C 80 177.169 177.169 173.341 3.828 18518 1796 1 3 . 1 1 80 80 PHE CA C 80 56.653 56.653 55.636 1.017 18518 1797 1 3 . 1 1 80 80 PHE CB C 80 41.933 41.933 42.756 -0.823 18518 1798 1 3 . 1 1 80 80 PHE H H 80 8.508 8.508 8.671 -0.163 18518 1799 1 3 . 1 1 81 81 LEU N N 81 121.426 121.426 122.822 -1.396 18518 1800 1 3 . 1 1 81 81 LEU HA H 81 4.851 4.851 5.085 -0.234 18518 1801 1 3 . 1 1 81 81 LEU C C 81 174.488 174.488 174.948 -0.460 18518 1802 1 3 . 1 1 81 81 LEU CA C 81 53.197 53.197 54.026 -0.829 18518 1803 1 3 . 1 1 81 81 LEU CB C 81 45.100 45.100 44.118 0.982 18518 1804 1 3 . 1 1 81 81 LEU H H 81 8.229 8.229 8.349 -0.120 18518 1805 1 3 . 1 1 82 82 LEU N N 82 125.155 125.155 127.148 -1.993 18518 1806 1 3 . 1 1 82 82 LEU HA H 82 4.833 4.833 4.542 0.291 18518 1807 1 3 . 1 1 82 82 LEU C C 82 177.166 177.166 175.407 1.759 18518 1808 1 3 . 1 1 82 82 LEU CA C 82 54.197 54.197 54.131 0.066 18518 1809 1 3 . 1 1 82 82 LEU CB C 82 43.442 43.442 43.530 -0.088 18518 1810 1 3 . 1 1 82 82 LEU H H 82 9.400 9.400 8.897 0.503 18518 1811 1 3 . 1 1 83 83 VAL N N 83 123.886 123.886 120.006 3.880 18518 1812 1 3 . 1 1 83 83 VAL HA H 83 4.379 4.379 4.436 -0.057 18518 1813 1 3 . 1 1 83 83 VAL C C 83 175.810 175.810 176.550 -0.740 18518 1814 1 3 . 1 1 83 83 VAL CA C 83 61.677 61.677 61.417 0.260 18518 1815 1 3 . 1 1 83 83 VAL CB C 83 33.758 33.758 33.119 0.639 18518 1816 1 3 . 1 1 83 83 VAL H H 83 8.721 8.721 8.309 0.412 18518 1817 1 3 . 1 1 84 84 ASN N N 84 126.474 126.474 126.502 -0.028 18518 1818 1 3 . 1 1 84 84 ASN HA H 84 4.396 4.396 4.433 -0.037 18518 1819 1 3 . 1 1 84 84 ASN C C 84 175.164 175.164 175.174 -0.010 18518 1820 1 3 . 1 1 84 84 ASN CA C 84 54.738 54.738 55.248 -0.510 18518 1821 1 3 . 1 1 84 84 ASN CB C 84 37.950 37.950 38.486 -0.536 18518 1822 1 3 . 1 1 84 84 ASN H H 84 9.707 9.707 9.535 0.172 18518 1823 1 3 . 1 1 85 85 GLY N N 85 101.296 101.296 105.226 -3.930 18518 1824 1 3 . 1 1 85 85 GLY C C 85 173.680 173.680 173.340 0.340 18518 1825 1 3 . 1 1 85 85 GLY CA C 85 45.603 45.603 45.037 0.566 18518 1826 1 3 . 1 1 85 85 GLY H H 85 8.644 8.644 8.395 0.249 18518 1827 1 3 . 1 1 86 86 HIS N N 86 117.238 117.238 116.928 0.310 18518 1828 1 3 . 1 1 86 86 HIS HA H 86 5.017 5.017 4.956 0.061 18518 1829 1 3 . 1 1 86 86 HIS C C 86 173.841 173.841 174.134 -0.293 18518 1830 1 3 . 1 1 86 86 HIS CA C 86 53.796 53.796 53.349 0.447 18518 1831 1 3 . 1 1 86 86 HIS CB C 86 31.280 31.280 31.837 -0.557 18518 1832 1 3 . 1 1 86 86 HIS H H 86 7.918 7.918 8.249 -0.331 18518 1833 1 3 . 1 1 87 87 SER N N 87 118.179 118.179 120.164 -1.985 18518 1834 1 3 . 1 1 87 87 SER HA H 87 4.699 4.699 4.513 0.186 18518 1835 1 3 . 1 1 87 87 SER C C 87 175.904 175.904 174.510 1.394 18518 1836 1 3 . 1 1 87 87 SER CA C 87 58.271 58.271 57.900 0.371 18518 1837 1 3 . 1 1 87 87 SER CB C 87 63.735 63.735 62.355 1.379 18518 1838 1 3 . 1 1 87 87 SER H H 87 8.977 8.977 8.852 0.125 18518 1839 1 3 . 1 1 88 88 MET N N 88 125.472 125.472 121.750 3.722 18518 1840 1 3 . 1 1 88 88 MET HA H 88 4.830 4.830 4.613 0.217 18518 1841 1 3 . 1 1 88 88 MET C C 88 176.419 176.419 174.878 1.541 18518 1842 1 3 . 1 1 88 88 MET CA C 88 54.899 54.899 55.676 -0.777 18518 1843 1 3 . 1 1 88 88 MET CB C 88 33.336 33.336 33.924 -0.588 18518 1844 1 3 . 1 1 88 88 MET H H 88 9.184 9.184 8.281 0.903 18518 1845 1 3 . 1 1 89 89 VAL N N 89 120.747 120.747 120.114 0.633 18518 1846 1 3 . 1 1 89 89 VAL HA H 89 4.232 4.232 4.289 -0.057 18518 1847 1 3 . 1 1 89 89 VAL C C 89 175.958 175.958 175.662 0.296 18518 1848 1 3 . 1 1 89 89 VAL CA C 89 63.154 63.154 61.263 1.891 18518 1849 1 3 . 1 1 89 89 VAL CB C 89 31.878 31.878 33.683 -1.805 18518 1850 1 3 . 1 1 89 89 VAL H H 89 8.233 8.233 7.502 0.731 18518 1851 1 3 . 1 1 90 90 SER N N 90 117.362 117.362 119.120 -1.758 18518 1852 1 3 . 1 1 90 90 SER HA H 90 4.590 4.590 4.541 0.049 18518 1853 1 3 . 1 1 90 90 SER C C 90 175.741 175.741 175.624 0.117 18518 1854 1 3 . 1 1 90 90 SER CA C 90 57.717 57.717 58.110 -0.393 18518 1855 1 3 . 1 1 90 90 SER CB C 90 63.223 63.223 64.056 -0.833 18518 1856 1 3 . 1 1 90 90 SER H H 90 8.482 8.482 8.454 0.028 18518 1857 1 3 . 1 1 91 91 VAL N N 91 120.466 120.466 118.745 1.721 18518 1858 1 3 . 1 1 91 91 VAL HA H 91 4.047 4.047 4.134 -0.087 18518 1859 1 3 . 1 1 91 91 VAL C C 91 176.329 176.329 176.213 0.116 18518 1860 1 3 . 1 1 91 91 VAL CA C 91 63.492 63.492 64.279 -0.787 18518 1861 1 3 . 1 1 91 91 VAL CB C 91 32.568 32.568 32.114 0.454 18518 1862 1 3 . 1 1 91 91 VAL H H 91 8.188 8.188 8.594 -0.406 18518 1863 1 3 . 1 1 92 92 SER N N 92 116.398 116.398 117.165 -0.767 18518 1864 1 3 . 1 1 92 92 SER HA H 92 4.636 4.636 4.412 0.224 18518 1865 1 3 . 1 1 92 92 SER C C 92 174.159 174.159 174.596 -0.437 18518 1866 1 3 . 1 1 92 92 SER CA C 92 57.805 57.805 59.437 -1.632 18518 1867 1 3 . 1 1 92 92 SER CB C 92 63.046 63.046 62.810 0.236 18518 1868 1 3 . 1 1 92 92 SER H H 92 8.370 8.370 8.487 -0.117 18518 1869 1 3 . 1 1 93 93 THR N N 93 119.211 119.211 116.878 2.333 18518 1870 1 3 . 1 1 93 93 THR HA H 93 4.484 4.484 4.520 -0.036 18518 1871 1 3 . 1 1 93 93 THR CA C 93 60.884 60.884 60.722 0.162 18518 1872 1 3 . 1 1 93 93 THR CB C 93 70.609 70.609 68.570 2.038 18518 1873 1 3 . 1 1 93 93 THR H H 93 7.416 7.416 7.402 0.014 18518 1874 1 3 . 1 1 94 94 PRO HA H 94 4.440 4.440 4.906 -0.466 18518 1875 1 3 . 1 1 94 94 PRO C C 94 178.775 178.775 177.336 1.439 18518 1876 1 3 . 1 1 94 94 PRO CA C 94 62.943 62.943 61.741 1.202 18518 1877 1 3 . 1 1 94 94 PRO CB C 94 32.649 32.649 33.568 -0.919 18518 1878 1 3 . 1 1 95 95 ILE N N 95 124.174 124.174 122.159 2.015 18518 1879 1 3 . 1 1 95 95 ILE HA H 95 3.949 3.949 3.874 0.075 18518 1880 1 3 . 1 1 95 95 ILE C C 95 176.498 176.498 176.867 -0.369 18518 1881 1 3 . 1 1 95 95 ILE CA C 95 63.904 63.904 63.415 0.489 18518 1882 1 3 . 1 1 95 95 ILE CB C 95 38.182 38.182 38.273 -0.091 18518 1883 1 3 . 1 1 95 95 ILE H H 95 9.305 9.305 8.407 0.898 18518 1884 1 3 . 1 1 96 96 SER N N 96 116.920 116.920 117.082 -0.162 18518 1885 1 3 . 1 1 96 96 SER HA H 96 4.029 4.029 4.119 -0.090 18518 1886 1 3 . 1 1 96 96 SER C C 96 176.574 176.574 176.291 0.283 18518 1887 1 3 . 1 1 96 96 SER CA C 96 61.356 61.356 61.979 -0.623 18518 1888 1 3 . 1 1 96 96 SER CB C 96 61.723 61.723 62.366 -0.643 18518 1889 1 3 . 1 1 96 96 SER H H 96 8.335 8.335 8.372 -0.037 18518 1890 1 3 . 1 1 97 97 GLU N N 97 123.255 123.255 122.917 0.338 18518 1891 1 3 . 1 1 97 97 GLU HA H 97 4.278 4.278 4.355 -0.077 18518 1892 1 3 . 1 1 97 97 GLU C C 97 179.716 179.716 179.165 0.551 18518 1893 1 3 . 1 1 97 97 GLU CA C 97 58.792 58.792 58.715 0.077 18518 1894 1 3 . 1 1 97 97 GLU CB C 97 29.562 29.562 29.198 0.364 18518 1895 1 3 . 1 1 97 97 GLU H H 97 7.376 7.376 7.963 -0.587 18518 1896 1 3 . 1 1 98 98 VAL N N 98 121.137 121.137 120.880 0.257 18518 1897 1 3 . 1 1 98 98 VAL HA H 98 3.802 3.802 3.658 0.144 18518 1898 1 3 . 1 1 98 98 VAL C C 98 177.637 177.637 178.026 -0.389 18518 1899 1 3 . 1 1 98 98 VAL CA C 98 65.824 65.824 66.219 -0.395 18518 1900 1 3 . 1 1 98 98 VAL CB C 98 32.154 32.154 30.716 1.438 18518 1901 1 3 . 1 1 98 98 VAL H H 98 7.387 7.387 7.890 -0.503 18518 1902 1 3 . 1 1 99 99 TYR N N 99 118.927 118.927 121.702 -2.775 18518 1903 1 3 . 1 1 99 99 TYR HA H 99 3.990 3.990 4.075 -0.085 18518 1904 1 3 . 1 1 99 99 TYR C C 99 176.081 176.081 176.799 -0.718 18518 1905 1 3 . 1 1 99 99 TYR CA C 99 62.223 62.223 61.553 0.670 18518 1906 1 3 . 1 1 99 99 TYR CB C 99 38.982 38.982 38.369 0.613 18518 1907 1 3 . 1 1 99 99 TYR H H 99 9.048 9.048 8.478 0.570 18518 1908 1 3 . 1 1 100 100 GLU N N 100 113.894 113.894 116.476 -2.582 18518 1909 1 3 . 1 1 100 100 GLU HA H 100 3.846 3.846 3.456 0.390 18518 1910 1 3 . 1 1 100 100 GLU C C 100 177.989 177.989 178.174 -0.185 18518 1911 1 3 . 1 1 100 100 GLU CA C 100 59.087 59.087 58.477 0.610 18518 1912 1 3 . 1 1 100 100 GLU CB C 100 29.382 29.382 28.767 0.615 18518 1913 1 3 . 1 1 100 100 GLU H H 100 7.422 7.422 8.114 -0.692 18518 1914 1 3 . 1 1 101 101 SER N N 101 108.991 108.991 114.083 -5.092 18518 1915 1 3 . 1 1 101 101 SER HA H 101 4.524 4.524 4.431 0.093 18518 1916 1 3 . 1 1 101 101 SER C C 101 176.628 176.628 175.456 1.172 18518 1917 1 3 . 1 1 101 101 SER CA C 101 60.349 60.349 60.329 0.020 18518 1918 1 3 . 1 1 101 101 SER CB C 101 64.741 64.741 63.946 0.795 18518 1919 1 3 . 1 1 101 101 SER H H 101 7.424 7.424 7.735 -0.311 18518 1920 1 3 . 1 1 102 102 GLU N N 102 116.533 116.533 118.917 -2.384 18518 1921 1 3 . 1 1 102 102 GLU HA H 102 4.744 4.744 4.587 0.157 18518 1922 1 3 . 1 1 102 102 GLU C C 102 176.774 176.774 175.605 1.169 18518 1923 1 3 . 1 1 102 102 GLU CA C 102 55.581 55.581 55.822 -0.241 18518 1924 1 3 . 1 1 102 102 GLU CB C 102 30.697 30.697 30.956 -0.259 18518 1925 1 3 . 1 1 102 102 GLU H H 102 8.487 8.487 7.782 0.705 18518 1926 1 3 . 1 1 103 103 LYS N N 103 118.370 118.370 120.089 -1.719 18518 1927 1 3 . 1 1 103 103 LYS HA H 103 4.178 4.178 4.070 0.108 18518 1928 1 3 . 1 1 103 103 LYS C C 103 175.018 175.018 176.484 -1.466 18518 1929 1 3 . 1 1 103 103 LYS CA C 103 57.329 57.329 56.868 0.461 18518 1930 1 3 . 1 1 103 103 LYS CB C 103 32.186 32.186 31.922 0.264 18518 1931 1 3 . 1 1 103 103 LYS H H 103 7.831 7.831 7.684 0.147 18518 1932 1 3 . 1 1 104 104 ASP N N 104 123.500 123.500 124.320 -0.820 18518 1933 1 3 . 1 1 104 104 ASP HA H 104 4.755 4.755 4.641 0.114 18518 1934 1 3 . 1 1 104 104 ASP C C 104 177.383 177.383 177.561 -0.178 18518 1935 1 3 . 1 1 104 104 ASP CA C 104 53.846 53.846 53.735 0.111 18518 1936 1 3 . 1 1 104 104 ASP CB C 104 43.411 43.411 43.458 -0.047 18518 1937 1 3 . 1 1 104 104 ASP H H 104 9.041 9.041 8.235 0.806 18518 1938 1 3 . 1 1 105 105 GLU N N 105 125.448 125.448 120.035 5.413 18518 1939 1 3 . 1 1 105 105 GLU HA H 105 4.180 4.180 4.181 -0.001 18518 1940 1 3 . 1 1 105 105 GLU C C 105 177.519 177.519 177.020 0.499 18518 1941 1 3 . 1 1 105 105 GLU CA C 105 59.529 59.529 58.475 1.054 18518 1942 1 3 . 1 1 105 105 GLU CB C 105 30.044 30.044 29.421 0.623 18518 1943 1 3 . 1 1 105 105 GLU H H 105 8.906 8.906 8.844 0.062 18518 1944 1 3 . 1 1 106 106 ASP N N 106 118.824 118.824 117.676 1.148 18518 1945 1 3 . 1 1 106 106 ASP HA H 106 4.179 4.179 4.653 -0.474 18518 1946 1 3 . 1 1 106 106 ASP C C 106 176.223 176.223 177.434 -1.211 18518 1947 1 3 . 1 1 106 106 ASP CA C 106 54.756 54.756 53.733 1.024 18518 1948 1 3 . 1 1 106 106 ASP CB C 106 39.999 39.999 41.212 -1.213 18518 1949 1 3 . 1 1 106 106 ASP H H 106 10.036 10.036 8.538 1.498 18518 1950 1 3 . 1 1 107 107 GLY N N 107 105.866 105.866 106.735 -0.869 18518 1951 1 3 . 1 1 107 107 GLY C C 107 175.136 175.136 174.505 0.631 18518 1952 1 3 . 1 1 107 107 GLY CA C 107 45.222 45.222 45.297 -0.076 18518 1953 1 3 . 1 1 107 107 GLY H H 107 8.001 8.001 8.175 -0.174 18518 1954 1 3 . 1 1 108 108 PHE N N 108 123.820 123.820 121.226 2.594 18518 1955 1 3 . 1 1 108 108 PHE HA H 108 4.662 4.662 4.419 0.243 18518 1956 1 3 . 1 1 108 108 PHE C C 108 174.899 174.899 175.711 -0.812 18518 1957 1 3 . 1 1 108 108 PHE CA C 108 60.238 60.238 59.588 0.650 18518 1958 1 3 . 1 1 108 108 PHE CB C 108 40.365 40.365 39.807 0.558 18518 1959 1 3 . 1 1 108 108 PHE H H 108 9.912 9.912 8.857 1.055 18518 1960 1 3 . 1 1 109 109 LEU N N 109 120.130 120.130 125.367 -5.237 18518 1961 1 3 . 1 1 109 109 LEU HA H 109 5.030 5.030 4.833 0.197 18518 1962 1 3 . 1 1 109 109 LEU C C 109 173.916 173.916 175.240 -1.324 18518 1963 1 3 . 1 1 109 109 LEU CA C 109 53.424 53.424 54.169 -0.745 18518 1964 1 3 . 1 1 109 109 LEU CB C 109 45.203 45.203 43.509 1.694 18518 1965 1 3 . 1 1 109 109 LEU H H 109 7.997 7.997 8.573 -0.576 18518 1966 1 3 . 1 1 110 110 TYR N N 110 126.579 126.579 126.167 0.412 18518 1967 1 3 . 1 1 110 110 TYR HA H 110 5.003 5.003 4.631 0.372 18518 1968 1 3 . 1 1 110 110 TYR C C 110 176.671 176.671 175.298 1.373 18518 1969 1 3 . 1 1 110 110 TYR CA C 110 59.058 59.058 58.805 0.253 18518 1970 1 3 . 1 1 110 110 TYR CB C 110 39.556 39.556 38.756 0.800 18518 1971 1 3 . 1 1 110 110 TYR H H 110 9.377 9.377 9.013 0.364 18518 1972 1 3 . 1 1 111 111 MET N N 111 119.240 119.240 121.525 -2.285 18518 1973 1 3 . 1 1 111 111 MET HA H 111 5.486 5.486 5.337 0.149 18518 1974 1 3 . 1 1 111 111 MET C C 111 175.695 175.695 174.664 1.031 18518 1975 1 3 . 1 1 111 111 MET CA C 111 54.124 54.124 54.562 -0.438 18518 1976 1 3 . 1 1 111 111 MET CB C 111 36.960 36.960 37.419 -0.459 18518 1977 1 3 . 1 1 111 111 MET H H 111 9.658 9.658 9.219 0.439 18518 1978 1 3 . 1 1 112 112 VAL N N 112 119.865 119.865 116.189 3.676 18518 1979 1 3 . 1 1 112 112 VAL HA H 112 5.963 5.963 5.562 0.401 18518 1980 1 3 . 1 1 112 112 VAL C C 112 175.058 175.058 174.351 0.707 18518 1981 1 3 . 1 1 112 112 VAL CA C 112 58.911 58.911 59.320 -0.409 18518 1982 1 3 . 1 1 112 112 VAL CB C 112 36.051 36.051 35.284 0.767 18518 1983 1 3 . 1 1 112 112 VAL H H 112 8.794 8.794 9.118 -0.324 18518 1984 1 3 . 1 1 113 113 TYR N N 113 119.664 119.664 118.447 1.217 18518 1985 1 3 . 1 1 113 113 TYR HA H 113 6.118 6.118 5.504 0.614 18518 1986 1 3 . 1 1 113 113 TYR C C 113 173.375 173.375 173.262 0.113 18518 1987 1 3 . 1 1 113 113 TYR CA C 113 54.153 54.153 55.283 -1.130 18518 1988 1 3 . 1 1 113 113 TYR CB C 113 43.312 43.312 41.765 1.547 18518 1989 1 3 . 1 1 113 113 TYR H H 113 8.315 8.315 8.353 -0.038 18518 1990 1 3 . 1 1 114 114 ALA N N 114 119.763 119.763 122.097 -2.334 18518 1991 1 3 . 1 1 114 114 ALA HA H 114 4.800 4.800 5.326 -0.526 18518 1992 1 3 . 1 1 114 114 ALA C C 114 176.216 176.216 175.168 1.048 18518 1993 1 3 . 1 1 114 114 ALA CA C 114 51.132 51.132 51.991 -0.859 18518 1994 1 3 . 1 1 114 114 ALA CB C 114 24.596 24.596 22.349 2.247 18518 1995 1 3 . 1 1 114 114 ALA H H 114 8.465 8.465 8.624 -0.159 18518 1996 1 3 . 1 1 115 115 SER N N 115 114.763 114.763 115.456 -0.693 18518 1997 1 3 . 1 1 115 115 SER HA H 115 4.496 4.496 4.912 -0.416 18518 1998 1 3 . 1 1 115 115 SER C C 115 172.671 172.671 173.688 -1.017 18518 1999 1 3 . 1 1 115 115 SER CA C 115 58.651 58.651 57.524 1.127 18518 2000 1 3 . 1 1 115 115 SER CB C 115 63.526 63.526 62.301 1.225 18518 2001 1 3 . 1 1 115 115 SER H H 115 9.915 9.915 8.698 1.217 18518 2002 1 3 . 1 1 116 116 GLN N N 116 116.611 116.611 123.053 -6.442 18518 2003 1 3 . 1 1 116 116 GLN HA H 116 4.484 4.484 4.484 0.000 18518 2004 1 3 . 1 1 116 116 GLN C C 116 172.733 172.733 173.659 -0.926 18518 2005 1 3 . 1 1 116 116 GLN CA C 116 53.926 53.926 55.601 -1.675 18518 2006 1 3 . 1 1 116 116 GLN CB C 116 32.358 32.358 31.396 0.962 18518 2007 1 3 . 1 1 116 116 GLN H H 116 7.219 7.219 7.985 -0.766 18518 2008 1 3 . 1 1 117 117 GLU N N 117 117.623 117.623 120.776 -3.153 18518 2009 1 3 . 1 1 117 117 GLU HA H 117 3.287 3.287 2.539 0.748 18518 2010 1 3 . 1 1 117 117 GLU C C 117 175.168 175.168 175.291 -0.123 18518 2011 1 3 . 1 1 117 117 GLU CA C 117 56.882 56.882 57.094 -0.212 18518 2012 1 3 . 1 1 117 117 GLU CB C 117 30.522 30.522 29.758 0.764 18518 2013 1 3 . 1 1 117 117 GLU H H 117 7.882 7.882 8.547 -0.665 18518 2014 1 3 . 1 1 118 118 THR N N 118 109.820 109.820 109.065 0.755 18518 2015 1 3 . 1 1 118 118 THR HA H 118 4.066 4.066 4.177 -0.111 18518 2016 1 3 . 1 1 118 118 THR C C 118 172.355 172.355 173.220 -0.865 18518 2017 1 3 . 1 1 118 118 THR CA C 118 60.029 60.029 60.575 -0.546 18518 2018 1 3 . 1 1 118 118 THR CB C 118 70.480 70.480 70.260 0.220 18518 2019 1 3 . 1 1 118 118 THR H H 118 6.992 6.992 7.163 -0.171 18518 2020 1 4 . 1 1 2 2 ALA HA H 2 4.336 4.336 5.140 -0.804 18518 2021 1 4 . 1 1 2 2 ALA C C 2 177.974 177.974 176.669 1.305 18518 2022 1 4 . 1 1 2 2 ALA CA C 2 52.785 52.785 52.158 0.627 18518 2023 1 4 . 1 1 2 2 ALA CB C 2 19.444 19.444 20.225 -0.781 18518 2024 1 4 . 1 1 3 3 MET N N 3 119.311 119.311 121.355 -2.044 18518 2025 1 4 . 1 1 3 3 MET HA H 3 4.451 4.451 4.610 -0.159 18518 2026 1 4 . 1 1 3 3 MET C C 3 176.913 176.913 174.904 2.009 18518 2027 1 4 . 1 1 3 3 MET CA C 3 55.679 55.679 55.275 0.404 18518 2028 1 4 . 1 1 3 3 MET CB C 3 32.590 32.590 33.777 -1.187 18518 2029 1 4 . 1 1 3 3 MET H H 3 8.638 8.638 8.591 0.047 18518 2030 1 4 . 1 1 4 4 GLY N N 4 110.281 110.281 111.119 -0.838 18518 2031 1 4 . 1 1 4 4 GLY C C 4 174.180 174.180 174.091 0.089 18518 2032 1 4 . 1 1 4 4 GLY CA C 4 45.495 45.495 44.814 0.681 18518 2033 1 4 . 1 1 4 4 GLY H H 4 8.552 8.552 8.603 -0.051 18518 2034 1 4 . 1 1 5 5 LYS N N 5 120.818 120.818 126.076 -5.258 18518 2035 1 4 . 1 1 5 5 LYS HA H 5 4.509 4.509 4.599 -0.090 18518 2036 1 4 . 1 1 5 5 LYS C C 5 177.605 177.605 176.584 1.021 18518 2037 1 4 . 1 1 5 5 LYS CA C 5 56.134 56.134 55.436 0.698 18518 2038 1 4 . 1 1 5 5 LYS CB C 5 34.813 34.813 34.217 0.596 18518 2039 1 4 . 1 1 5 5 LYS H H 5 8.133 8.133 8.068 0.065 18518 2040 1 4 . 1 1 6 6 THR N N 6 114.781 114.781 115.293 -0.512 18518 2041 1 4 . 1 1 6 6 THR HA H 6 4.421 4.421 4.572 -0.151 18518 2042 1 4 . 1 1 6 6 THR C C 6 175.524 175.524 176.073 -0.549 18518 2043 1 4 . 1 1 6 6 THR CA C 6 61.127 61.127 62.099 -0.972 18518 2044 1 4 . 1 1 6 6 THR CB C 6 69.926 69.926 70.102 -0.176 18518 2045 1 4 . 1 1 6 6 THR H H 6 8.483 8.483 8.331 0.152 18518 2046 1 4 . 1 1 7 7 PHE N N 7 125.552 125.552 123.396 2.156 18518 2047 1 4 . 1 1 7 7 PHE HA H 7 4.005 4.005 4.057 -0.052 18518 2048 1 4 . 1 1 7 7 PHE C C 7 177.397 177.397 176.684 0.713 18518 2049 1 4 . 1 1 7 7 PHE CA C 7 63.393 63.393 61.487 1.906 18518 2050 1 4 . 1 1 7 7 PHE CB C 7 39.567 39.567 37.959 1.608 18518 2051 1 4 . 1 1 7 7 PHE H H 7 10.245 10.245 9.197 1.048 18518 2052 1 4 . 1 1 8 8 LYS N N 8 114.053 114.053 116.523 -2.470 18518 2053 1 4 . 1 1 8 8 LYS HA H 8 3.835 3.835 3.604 0.231 18518 2054 1 4 . 1 1 8 8 LYS C C 8 175.520 175.520 178.008 -2.488 18518 2055 1 4 . 1 1 8 8 LYS CA C 8 59.993 59.993 57.688 2.305 18518 2056 1 4 . 1 1 8 8 LYS CB C 8 33.689 33.689 30.865 2.824 18518 2057 1 4 . 1 1 8 8 LYS H H 8 8.775 8.775 6.606 2.168 18518 2058 1 4 . 1 1 9 9 GLN N N 9 113.516 113.516 118.554 -5.038 18518 2059 1 4 . 1 1 9 9 GLN HA H 9 4.149 4.149 4.065 0.084 18518 2060 1 4 . 1 1 9 9 GLN C C 9 177.615 177.615 177.628 -0.013 18518 2061 1 4 . 1 1 9 9 GLN CA C 9 56.819 56.819 58.146 -1.327 18518 2062 1 4 . 1 1 9 9 GLN CB C 9 30.019 30.019 29.061 0.958 18518 2063 1 4 . 1 1 9 9 GLN H H 9 7.355 7.355 7.526 -0.171 18518 2064 1 4 . 1 1 10 10 ARG N N 10 118.294 118.294 116.523 1.771 18518 2065 1 4 . 1 1 10 10 ARG HA H 10 4.302 4.302 4.208 0.094 18518 2066 1 4 . 1 1 10 10 ARG C C 10 179.380 179.380 177.228 2.152 18518 2067 1 4 . 1 1 10 10 ARG CA C 10 57.268 57.268 57.166 0.102 18518 2068 1 4 . 1 1 10 10 ARG CB C 10 31.642 31.642 30.655 0.987 18518 2069 1 4 . 1 1 10 10 ARG H H 10 7.936 7.936 7.716 0.220 18518 2070 1 4 . 1 1 11 11 ARG N N 11 121.137 121.137 119.497 1.640 18518 2071 1 4 . 1 1 11 11 ARG HA H 11 4.680 4.680 4.777 -0.097 18518 2072 1 4 . 1 1 11 11 ARG CA C 11 53.453 53.453 53.890 -0.437 18518 2073 1 4 . 1 1 11 11 ARG CB C 11 32.938 32.938 31.631 1.307 18518 2074 1 4 . 1 1 11 11 ARG H H 11 7.390 7.390 7.511 -0.121 18518 2075 1 4 . 1 1 12 12 THR N N 12 116.819 116.819 118.927 -2.108 18518 2076 1 4 . 1 1 12 12 THR HA H 12 4.359 4.359 4.223 0.136 18518 2077 1 4 . 1 1 12 12 THR C C 12 174.989 174.989 176.159 -1.170 18518 2078 1 4 . 1 1 12 12 THR CA C 12 61.748 61.748 62.800 -1.052 18518 2079 1 4 . 1 1 12 12 THR CB C 12 71.068 71.068 69.947 1.121 18518 2080 1 4 . 1 1 12 12 THR H H 12 8.953 8.953 8.700 0.254 18518 2081 1 4 . 1 1 13 13 PHE N N 13 123.200 123.200 123.043 0.157 18518 2082 1 4 . 1 1 13 13 PHE HA H 13 4.028 4.028 4.213 -0.185 18518 2083 1 4 . 1 1 13 13 PHE C C 13 176.029 176.029 177.146 -1.117 18518 2084 1 4 . 1 1 13 13 PHE CA C 13 62.864 62.864 62.260 0.604 18518 2085 1 4 . 1 1 13 13 PHE CB C 13 39.560 39.560 39.350 0.210 18518 2086 1 4 . 1 1 13 13 PHE H H 13 9.284 9.284 8.939 0.345 18518 2087 1 4 . 1 1 14 14 GLU N N 14 115.414 115.414 118.455 -3.041 18518 2088 1 4 . 1 1 14 14 GLU HA H 14 3.794 3.794 4.010 -0.216 18518 2089 1 4 . 1 1 14 14 GLU C C 14 180.081 180.081 179.040 1.041 18518 2090 1 4 . 1 1 14 14 GLU CA C 14 60.619 60.619 60.360 0.259 18518 2091 1 4 . 1 1 14 14 GLU CB C 14 28.852 28.852 29.066 -0.214 18518 2092 1 4 . 1 1 14 14 GLU H H 14 8.973 8.973 8.771 0.202 18518 2093 1 4 . 1 1 15 15 GLN N N 15 119.276 119.276 118.783 0.493 18518 2094 1 4 . 1 1 15 15 GLN HA H 15 4.000 4.000 4.091 -0.091 18518 2095 1 4 . 1 1 15 15 GLN C C 15 177.978 177.978 178.780 -0.802 18518 2096 1 4 . 1 1 15 15 GLN CA C 15 58.835 58.835 59.022 -0.187 18518 2097 1 4 . 1 1 15 15 GLN CB C 15 29.370 29.370 28.474 0.896 18518 2098 1 4 . 1 1 15 15 GLN H H 15 7.756 7.756 8.580 -0.824 18518 2099 1 4 . 1 1 16 16 ARG N N 16 121.336 121.336 119.759 1.577 18518 2100 1 4 . 1 1 16 16 ARG HA H 16 4.270 4.270 4.211 0.059 18518 2101 1 4 . 1 1 16 16 ARG C C 16 177.416 177.416 178.829 -1.413 18518 2102 1 4 . 1 1 16 16 ARG CA C 16 61.375 61.375 59.702 1.673 18518 2103 1 4 . 1 1 16 16 ARG CB C 16 30.605 30.605 30.454 0.151 18518 2104 1 4 . 1 1 16 16 ARG H H 16 8.645 8.645 8.044 0.601 18518 2105 1 4 . 1 1 17 17 VAL N N 17 117.630 117.630 120.836 -3.206 18518 2106 1 4 . 1 1 17 17 VAL HA H 17 3.857 3.857 3.589 0.268 18518 2107 1 4 . 1 1 17 17 VAL C C 17 179.748 179.748 177.810 1.938 18518 2108 1 4 . 1 1 17 17 VAL CA C 17 65.726 65.726 66.609 -0.883 18518 2109 1 4 . 1 1 17 17 VAL CB C 17 32.194 32.194 31.863 0.331 18518 2110 1 4 . 1 1 17 17 VAL H H 17 8.373 8.373 8.368 0.005 18518 2111 1 4 . 1 1 18 18 GLU N N 18 120.864 120.864 119.906 0.958 18518 2112 1 4 . 1 1 18 18 GLU HA H 18 4.302 4.302 3.936 0.366 18518 2113 1 4 . 1 1 18 18 GLU C C 18 177.728 177.728 178.566 -0.838 18518 2114 1 4 . 1 1 18 18 GLU CA C 18 58.486 58.486 59.885 -1.399 18518 2115 1 4 . 1 1 18 18 GLU CB C 18 29.382 29.382 29.462 -0.080 18518 2116 1 4 . 1 1 18 18 GLU H H 18 7.368 7.368 8.027 -0.659 18518 2117 1 4 . 1 1 19 19 ASP N N 19 121.425 121.425 120.083 1.342 18518 2118 1 4 . 1 1 19 19 ASP HA H 19 4.434 4.434 4.458 -0.024 18518 2119 1 4 . 1 1 19 19 ASP C C 19 179.978 179.978 178.495 1.483 18518 2120 1 4 . 1 1 19 19 ASP CA C 19 57.422 57.422 57.076 0.346 18518 2121 1 4 . 1 1 19 19 ASP CB C 19 41.287 41.287 40.647 0.640 18518 2122 1 4 . 1 1 19 19 ASP H H 19 8.671 8.671 8.113 0.558 18518 2123 1 4 . 1 1 20 20 VAL N N 20 119.730 119.730 120.382 -0.652 18518 2124 1 4 . 1 1 20 20 VAL HA H 20 3.205 3.205 3.262 -0.057 18518 2125 1 4 . 1 1 20 20 VAL C C 20 176.284 176.284 177.639 -1.355 18518 2126 1 4 . 1 1 20 20 VAL CA C 20 66.315 66.315 66.955 -0.640 18518 2127 1 4 . 1 1 20 20 VAL CB C 20 31.107 31.107 31.365 -0.258 18518 2128 1 4 . 1 1 20 20 VAL H H 20 7.999 7.999 8.060 -0.061 18518 2129 1 4 . 1 1 21 21 ARG N N 21 121.455 121.455 120.096 1.359 18518 2130 1 4 . 1 1 21 21 ARG HA H 21 3.814 3.814 3.955 -0.141 18518 2131 1 4 . 1 1 21 21 ARG C C 21 180.120 180.120 178.738 1.382 18518 2132 1 4 . 1 1 21 21 ARG CA C 21 59.830 59.830 58.734 1.096 18518 2133 1 4 . 1 1 21 21 ARG CB C 21 29.946 29.946 29.195 0.751 18518 2134 1 4 . 1 1 21 21 ARG H H 21 8.098 8.098 8.107 -0.009 18518 2135 1 4 . 1 1 22 22 LEU N N 22 117.826 117.826 121.278 -3.452 18518 2136 1 4 . 1 1 22 22 LEU HA H 22 4.049 4.049 4.082 -0.033 18518 2137 1 4 . 1 1 22 22 LEU C C 22 180.115 180.115 178.312 1.803 18518 2138 1 4 . 1 1 22 22 LEU CA C 22 57.790 57.790 57.990 -0.200 18518 2139 1 4 . 1 1 22 22 LEU CB C 22 42.142 42.142 41.936 0.206 18518 2140 1 4 . 1 1 22 22 LEU H H 22 8.207 8.207 8.008 0.199 18518 2141 1 4 . 1 1 23 23 ILE N N 23 121.450 121.450 119.651 1.799 18518 2142 1 4 . 1 1 23 23 ILE HA H 23 4.013 4.013 3.675 0.338 18518 2143 1 4 . 1 1 23 23 ILE C C 23 178.149 178.149 177.642 0.507 18518 2144 1 4 . 1 1 23 23 ILE CA C 23 62.171 62.171 64.303 -2.132 18518 2145 1 4 . 1 1 23 23 ILE CB C 23 38.106 38.106 37.923 0.183 18518 2146 1 4 . 1 1 23 23 ILE H H 23 8.105 8.105 8.358 -0.253 18518 2147 1 4 . 1 1 24 24 ARG N N 24 121.139 121.139 118.705 2.434 18518 2148 1 4 . 1 1 24 24 ARG HA H 24 3.987 3.987 4.174 -0.187 18518 2149 1 4 . 1 1 24 24 ARG C C 24 178.702 178.702 178.738 -0.036 18518 2150 1 4 . 1 1 24 24 ARG CA C 24 57.718 57.718 58.813 -1.095 18518 2151 1 4 . 1 1 24 24 ARG CB C 24 28.769 28.769 29.625 -0.856 18518 2152 1 4 . 1 1 24 24 ARG H H 24 8.601 8.601 8.409 0.192 18518 2153 1 4 . 1 1 25 25 GLU N N 25 118.054 118.054 120.497 -2.443 18518 2154 1 4 . 1 1 25 25 GLU HA H 25 4.026 4.026 4.113 -0.087 18518 2155 1 4 . 1 1 25 25 GLU C C 25 178.492 178.492 178.757 -0.265 18518 2156 1 4 . 1 1 25 25 GLU CA C 25 58.780 58.780 58.833 -0.053 18518 2157 1 4 . 1 1 25 25 GLU CB C 25 30.001 30.001 29.645 0.356 18518 2158 1 4 . 1 1 25 25 GLU H H 25 7.423 7.423 7.766 -0.343 18518 2159 1 4 . 1 1 26 26 GLN N N 26 116.350 116.350 116.727 -0.377 18518 2160 1 4 . 1 1 26 26 GLN HA H 26 3.936 3.936 4.076 -0.140 18518 2161 1 4 . 1 1 26 26 GLN C C 26 176.305 176.305 176.987 -0.682 18518 2162 1 4 . 1 1 26 26 GLN CA C 26 57.503 57.503 57.451 0.052 18518 2163 1 4 . 1 1 26 26 GLN CB C 26 30.207 30.207 29.756 0.451 18518 2164 1 4 . 1 1 26 26 GLN H H 26 7.524 7.524 7.895 -0.371 18518 2165 1 4 . 1 1 27 27 HIS N N 27 116.017 116.017 118.434 -2.417 18518 2166 1 4 . 1 1 27 27 HIS HA H 27 4.930 4.930 5.112 -0.182 18518 2167 1 4 . 1 1 27 27 HIS CA C 27 53.054 53.054 52.967 0.087 18518 2168 1 4 . 1 1 27 27 HIS CB C 27 30.747 30.747 30.999 -0.252 18518 2169 1 4 . 1 1 27 27 HIS H H 27 8.284 8.284 8.226 0.058 18518 2170 1 4 . 1 1 28 28 PRO HA H 28 4.581 4.581 4.577 0.004 18518 2171 1 4 . 1 1 28 28 PRO CA C 28 64.919 64.919 64.202 0.717 18518 2172 1 4 . 1 1 28 28 PRO CB C 28 32.455 32.455 32.103 0.352 18518 2173 1 4 . 1 1 29 29 THR N N 29 107.011 107.011 105.137 1.874 18518 2174 1 4 . 1 1 29 29 THR HA H 29 4.599 4.599 4.424 0.175 18518 2175 1 4 . 1 1 29 29 THR C C 29 172.884 172.884 173.731 -0.847 18518 2176 1 4 . 1 1 29 29 THR CA C 29 60.810 60.810 61.324 -0.514 18518 2177 1 4 . 1 1 29 29 THR CB C 29 68.531 68.531 69.076 -0.545 18518 2178 1 4 . 1 1 29 29 THR H H 29 7.890 7.890 8.108 -0.218 18518 2179 1 4 . 1 1 30 30 LYS N N 30 117.679 117.679 121.255 -3.576 18518 2180 1 4 . 1 1 30 30 LYS HA H 30 4.858 4.858 4.941 -0.083 18518 2181 1 4 . 1 1 30 30 LYS C C 30 174.310 174.310 175.050 -0.740 18518 2182 1 4 . 1 1 30 30 LYS CA C 30 53.751 53.751 54.125 -0.374 18518 2183 1 4 . 1 1 30 30 LYS CB C 30 35.804 35.804 36.101 -0.297 18518 2184 1 4 . 1 1 30 30 LYS H H 30 7.441 7.441 7.670 -0.229 18518 2185 1 4 . 1 1 31 31 ILE N N 31 122.849 122.849 123.798 -0.949 18518 2186 1 4 . 1 1 31 31 ILE HA H 31 4.105 4.105 4.351 -0.246 18518 2187 1 4 . 1 1 31 31 ILE CA C 31 54.801 54.801 58.066 -3.265 18518 2188 1 4 . 1 1 31 31 ILE CB C 31 38.265 38.265 39.417 -1.153 18518 2189 1 4 . 1 1 31 31 ILE H H 31 9.304 9.304 9.017 0.287 18518 2190 1 4 . 1 1 32 32 PRO HA H 32 5.159 5.159 4.998 0.161 18518 2191 1 4 . 1 1 32 32 PRO C C 32 174.164 174.164 175.924 -1.760 18518 2192 1 4 . 1 1 32 32 PRO CA C 32 61.503 61.503 62.188 -0.685 18518 2193 1 4 . 1 1 32 32 PRO CB C 32 31.145 31.145 30.948 0.197 18518 2194 1 4 . 1 1 33 33 VAL N N 33 125.606 125.606 126.093 -0.487 18518 2195 1 4 . 1 1 33 33 VAL HA H 33 5.213 5.213 4.807 0.406 18518 2196 1 4 . 1 1 33 33 VAL C C 33 173.654 173.654 174.047 -0.393 18518 2197 1 4 . 1 1 33 33 VAL CA C 33 60.044 60.044 59.659 0.385 18518 2198 1 4 . 1 1 33 33 VAL CB C 33 35.604 35.604 35.950 -0.346 18518 2199 1 4 . 1 1 33 33 VAL H H 33 9.424 9.424 8.498 0.926 18518 2200 1 4 . 1 1 34 34 ILE N N 34 128.241 128.241 127.101 1.140 18518 2201 1 4 . 1 1 34 34 ILE HA H 34 4.833 4.833 4.785 0.048 18518 2202 1 4 . 1 1 34 34 ILE C C 34 175.605 175.605 174.943 0.662 18518 2203 1 4 . 1 1 34 34 ILE CA C 34 56.765 56.765 58.243 -1.478 18518 2204 1 4 . 1 1 34 34 ILE CB C 34 36.799 36.799 38.262 -1.463 18518 2205 1 4 . 1 1 34 34 ILE H H 34 8.721 8.721 8.894 -0.173 18518 2206 1 4 . 1 1 35 35 ILE N N 35 125.650 125.650 127.532 -1.882 18518 2207 1 4 . 1 1 35 35 ILE HA H 35 4.836 4.836 4.739 0.097 18518 2208 1 4 . 1 1 35 35 ILE C C 35 174.887 174.887 174.554 0.333 18518 2209 1 4 . 1 1 35 35 ILE CA C 35 60.945 60.945 60.191 0.754 18518 2210 1 4 . 1 1 35 35 ILE CB C 35 39.210 39.210 38.955 0.256 18518 2211 1 4 . 1 1 35 35 ILE H H 35 9.034 9.034 8.837 0.197 18518 2212 1 4 . 1 1 36 36 GLU N N 36 122.657 122.657 127.274 -4.617 18518 2213 1 4 . 1 1 36 36 GLU HA H 36 4.861 4.861 4.834 0.027 18518 2214 1 4 . 1 1 36 36 GLU C C 36 173.848 173.848 174.734 -0.886 18518 2215 1 4 . 1 1 36 36 GLU CA C 36 53.932 53.932 54.009 -0.077 18518 2216 1 4 . 1 1 36 36 GLU CB C 36 35.282 35.282 34.369 0.913 18518 2217 1 4 . 1 1 36 36 GLU H H 36 8.303 8.303 8.513 -0.210 18518 2218 1 4 . 1 1 37 37 ARG N N 37 123.228 123.228 126.187 -2.959 18518 2219 1 4 . 1 1 37 37 ARG HA H 37 2.726 2.726 3.260 -0.534 18518 2220 1 4 . 1 1 37 37 ARG C C 37 176.359 176.359 175.870 0.489 18518 2221 1 4 . 1 1 37 37 ARG CA C 37 56.359 56.359 56.175 0.184 18518 2222 1 4 . 1 1 37 37 ARG CB C 37 31.341 31.341 30.703 0.637 18518 2223 1 4 . 1 1 37 37 ARG H H 37 8.856 8.856 8.690 0.166 18518 2224 1 4 . 1 1 38 38 TYR N N 38 128.981 128.981 128.343 0.638 18518 2225 1 4 . 1 1 38 38 TYR HA H 38 4.352 4.352 4.371 -0.019 18518 2226 1 4 . 1 1 38 38 TYR C C 38 177.316 177.316 176.889 0.427 18518 2227 1 4 . 1 1 38 38 TYR CA C 38 57.712 57.712 57.714 -0.002 18518 2228 1 4 . 1 1 38 38 TYR CB C 38 39.472 39.472 40.167 -0.695 18518 2229 1 4 . 1 1 38 38 TYR H H 38 8.628 8.628 8.210 0.418 18518 2230 1 4 . 1 1 39 39 LYS N N 39 130.635 130.635 127.452 3.183 18518 2231 1 4 . 1 1 39 39 LYS HA H 39 3.822 3.822 3.805 0.017 18518 2232 1 4 . 1 1 39 39 LYS CA C 39 58.887 58.887 57.843 1.044 18518 2233 1 4 . 1 1 39 39 LYS CB C 39 31.771 31.771 31.764 0.007 18518 2234 1 4 . 1 1 39 39 LYS H H 39 8.594 8.594 8.283 0.311 18518 2235 1 4 . 1 1 40 40 GLY C C 40 173.447 173.447 173.551 -0.104 18518 2236 1 4 . 1 1 40 40 GLY CA C 40 44.663 44.663 43.843 0.820 18518 2237 1 4 . 1 1 40 40 GLY H H 40 5.188 5.188 6.051 -0.863 18518 2238 1 4 . 1 1 41 41 GLU N N 41 122.836 122.836 120.672 2.164 18518 2239 1 4 . 1 1 41 41 GLU HA H 41 4.257 4.257 4.563 -0.306 18518 2240 1 4 . 1 1 41 41 GLU C C 41 176.524 176.524 175.731 0.793 18518 2241 1 4 . 1 1 41 41 GLU CA C 41 56.525 56.525 55.085 1.440 18518 2242 1 4 . 1 1 41 41 GLU CB C 41 30.985 30.985 30.005 0.980 18518 2243 1 4 . 1 1 41 41 GLU H H 41 7.380 7.380 7.597 -0.217 18518 2244 1 4 . 1 1 42 42 LYS N N 42 124.040 124.040 126.567 -2.527 18518 2245 1 4 . 1 1 42 42 LYS HA H 42 4.675 4.675 4.405 0.270 18518 2246 1 4 . 1 1 42 42 LYS C C 42 177.538 177.538 177.591 -0.053 18518 2247 1 4 . 1 1 42 42 LYS CA C 42 55.840 55.840 57.035 -1.195 18518 2248 1 4 . 1 1 42 42 LYS CB C 42 34.979 34.979 33.258 1.721 18518 2249 1 4 . 1 1 42 42 LYS H H 42 9.034 9.034 8.919 0.115 18518 2250 1 4 . 1 1 43 43 GLN N N 43 119.259 119.259 118.846 0.413 18518 2251 1 4 . 1 1 43 43 GLN HA H 43 4.542 4.542 4.405 0.137 18518 2252 1 4 . 1 1 43 43 GLN C C 43 177.336 177.336 176.440 0.896 18518 2253 1 4 . 1 1 43 43 GLN CA C 43 57.673 57.673 56.736 0.937 18518 2254 1 4 . 1 1 43 43 GLN CB C 43 30.782 30.782 30.315 0.467 18518 2255 1 4 . 1 1 43 43 GLN H H 43 8.435 8.435 8.823 -0.388 18518 2256 1 4 . 1 1 44 44 LEU N N 44 120.760 120.760 123.454 -2.694 18518 2257 1 4 . 1 1 44 44 LEU HA H 44 4.695 4.695 4.656 0.039 18518 2258 1 4 . 1 1 44 44 LEU CA C 44 53.245 53.245 53.079 0.166 18518 2259 1 4 . 1 1 44 44 LEU CB C 44 43.596 43.596 42.093 1.503 18518 2260 1 4 . 1 1 44 44 LEU H H 44 9.126 9.126 8.304 0.822 18518 2261 1 4 . 1 1 45 45 PRO HA H 45 4.717 4.717 4.562 0.155 18518 2262 1 4 . 1 1 45 45 PRO C C 45 175.797 175.797 176.738 -0.941 18518 2263 1 4 . 1 1 45 45 PRO CA C 45 62.111 62.111 62.191 -0.080 18518 2264 1 4 . 1 1 45 45 PRO CB C 45 32.592 32.592 32.276 0.316 18518 2265 1 4 . 1 1 46 46 VAL N N 46 119.052 119.052 120.469 -1.417 18518 2266 1 4 . 1 1 46 46 VAL HA H 46 3.867 3.867 4.087 -0.220 18518 2267 1 4 . 1 1 46 46 VAL C C 46 175.640 175.640 176.449 -0.809 18518 2268 1 4 . 1 1 46 46 VAL CA C 46 62.944 62.944 62.849 0.095 18518 2269 1 4 . 1 1 46 46 VAL CB C 46 32.799 32.799 32.381 0.418 18518 2270 1 4 . 1 1 46 46 VAL H H 46 8.543 8.543 8.365 0.178 18518 2271 1 4 . 1 1 47 47 LEU N N 47 130.203 130.203 127.312 2.891 18518 2272 1 4 . 1 1 47 47 LEU HA H 47 4.309 4.309 4.378 -0.069 18518 2273 1 4 . 1 1 47 47 LEU C C 47 176.198 176.198 177.177 -0.979 18518 2274 1 4 . 1 1 47 47 LEU CA C 47 55.006 55.006 55.148 -0.142 18518 2275 1 4 . 1 1 47 47 LEU CB C 47 43.832 43.832 43.100 0.732 18518 2276 1 4 . 1 1 47 47 LEU H H 47 7.799 7.799 8.549 -0.750 18518 2277 1 4 . 1 1 48 48 ASP N N 48 122.403 122.403 121.506 0.897 18518 2278 1 4 . 1 1 48 48 ASP HA H 48 4.263 4.263 4.505 -0.242 18518 2279 1 4 . 1 1 48 48 ASP C C 48 175.294 175.294 175.727 -0.433 18518 2280 1 4 . 1 1 48 48 ASP CA C 48 55.832 55.832 55.717 0.116 18518 2281 1 4 . 1 1 48 48 ASP CB C 48 40.184 40.184 41.229 -1.045 18518 2282 1 4 . 1 1 48 48 ASP H H 48 8.780 8.780 8.780 -0.000 18518 2283 1 4 . 1 1 49 49 LYS N N 49 119.569 119.569 114.925 4.644 18518 2284 1 4 . 1 1 49 49 LYS HA H 49 4.585 4.585 4.497 0.088 18518 2285 1 4 . 1 1 49 49 LYS C C 49 174.678 174.678 174.325 0.353 18518 2286 1 4 . 1 1 49 49 LYS CA C 49 53.652 53.652 55.429 -1.778 18518 2287 1 4 . 1 1 49 49 LYS CB C 49 35.945 35.945 33.890 2.055 18518 2288 1 4 . 1 1 49 49 LYS H H 49 7.280 7.280 7.685 -0.405 18518 2289 1 4 . 1 1 50 50 THR N N 50 110.862 110.862 112.823 -1.961 18518 2290 1 4 . 1 1 50 50 THR HA H 50 4.811 4.811 4.911 -0.100 18518 2291 1 4 . 1 1 50 50 THR C C 50 172.425 172.425 174.005 -1.580 18518 2292 1 4 . 1 1 50 50 THR CA C 50 62.645 62.645 62.169 0.476 18518 2293 1 4 . 1 1 50 50 THR CB C 50 71.648 71.648 70.343 1.305 18518 2294 1 4 . 1 1 50 50 THR H H 50 8.042 8.042 8.226 -0.183 18518 2295 1 4 . 1 1 51 51 LYS N N 51 120.008 120.008 122.306 -2.298 18518 2296 1 4 . 1 1 51 51 LYS HA H 51 4.625 4.625 4.521 0.104 18518 2297 1 4 . 1 1 51 51 LYS C C 51 175.082 175.082 175.665 -0.583 18518 2298 1 4 . 1 1 51 51 LYS CA C 51 54.704 54.704 56.338 -1.634 18518 2299 1 4 . 1 1 51 51 LYS CB C 51 32.376 32.376 33.396 -1.020 18518 2300 1 4 . 1 1 51 51 LYS H H 51 7.119 7.119 7.546 -0.427 18518 2301 1 4 . 1 1 52 52 PHE N N 52 122.640 122.640 122.509 0.131 18518 2302 1 4 . 1 1 52 52 PHE HA H 52 5.337 5.337 4.760 0.577 18518 2303 1 4 . 1 1 52 52 PHE C C 52 174.213 174.213 173.874 0.339 18518 2304 1 4 . 1 1 52 52 PHE CA C 52 56.611 56.611 56.646 -0.035 18518 2305 1 4 . 1 1 52 52 PHE CB C 52 43.140 43.140 43.379 -0.239 18518 2306 1 4 . 1 1 52 52 PHE H H 52 9.709 9.709 9.048 0.661 18518 2307 1 4 . 1 1 53 53 LEU N N 53 122.157 122.157 122.298 -0.141 18518 2308 1 4 . 1 1 53 53 LEU HA H 53 4.947 4.947 4.965 -0.018 18518 2309 1 4 . 1 1 53 53 LEU C C 53 175.769 175.769 175.660 0.109 18518 2310 1 4 . 1 1 53 53 LEU CA C 53 52.957 52.957 54.046 -1.089 18518 2311 1 4 . 1 1 53 53 LEU CB C 53 44.415 44.415 43.898 0.517 18518 2312 1 4 . 1 1 53 53 LEU H H 53 8.959 8.959 8.485 0.474 18518 2313 1 4 . 1 1 54 54 VAL N N 54 124.919 124.919 124.307 0.612 18518 2314 1 4 . 1 1 54 54 VAL HA H 54 4.559 4.559 4.569 -0.010 18518 2315 1 4 . 1 1 54 54 VAL CA C 54 59.130 59.130 58.779 0.351 18518 2316 1 4 . 1 1 54 54 VAL CB C 54 34.968 34.968 33.211 1.757 18518 2317 1 4 . 1 1 54 54 VAL H H 54 8.922 8.922 8.545 0.377 18518 2318 1 4 . 1 1 55 55 PRO HA H 55 4.441 4.441 4.859 -0.418 18518 2319 1 4 . 1 1 55 55 PRO C C 55 176.594 176.594 177.822 -1.228 18518 2320 1 4 . 1 1 55 55 PRO CA C 55 64.315 64.315 61.914 2.401 18518 2321 1 4 . 1 1 55 55 PRO CB C 55 32.665 32.665 32.071 0.594 18518 2322 1 4 . 1 1 56 56 ASP N N 56 120.522 120.522 121.683 -1.161 18518 2323 1 4 . 1 1 56 56 ASP HA H 56 3.862 3.862 4.182 -0.320 18518 2324 1 4 . 1 1 56 56 ASP C C 56 175.809 175.809 177.063 -1.254 18518 2325 1 4 . 1 1 56 56 ASP CA C 56 56.749 56.749 57.054 -0.305 18518 2326 1 4 . 1 1 56 56 ASP CB C 56 40.510 40.510 40.550 -0.040 18518 2327 1 4 . 1 1 56 56 ASP H H 56 8.347 8.347 8.332 0.015 18518 2328 1 4 . 1 1 57 57 HIS N N 57 113.482 113.482 114.514 -1.032 18518 2329 1 4 . 1 1 57 57 HIS HA H 57 4.720 4.720 4.459 0.261 18518 2330 1 4 . 1 1 57 57 HIS C C 57 176.507 176.507 175.313 1.194 18518 2331 1 4 . 1 1 57 57 HIS CA C 57 55.589 55.589 56.095 -0.506 18518 2332 1 4 . 1 1 57 57 HIS CB C 57 30.643 30.643 29.424 1.219 18518 2333 1 4 . 1 1 57 57 HIS H H 57 7.557 7.557 7.917 -0.360 18518 2334 1 4 . 1 1 58 58 VAL N N 58 123.279 123.279 122.583 0.696 18518 2335 1 4 . 1 1 58 58 VAL HA H 58 3.836 3.836 4.129 -0.293 18518 2336 1 4 . 1 1 58 58 VAL C C 58 175.019 175.019 175.424 -0.405 18518 2337 1 4 . 1 1 58 58 VAL CA C 58 62.823 62.823 62.893 -0.070 18518 2338 1 4 . 1 1 58 58 VAL CB C 58 32.310 32.310 32.446 -0.136 18518 2339 1 4 . 1 1 58 58 VAL H H 58 7.345 7.345 7.288 0.057 18518 2340 1 4 . 1 1 59 59 ASN N N 59 123.781 123.781 125.031 -1.250 18518 2341 1 4 . 1 1 59 59 ASN HA H 59 5.126 5.126 5.207 -0.081 18518 2342 1 4 . 1 1 59 59 ASN C C 59 176.558 176.558 176.662 -0.104 18518 2343 1 4 . 1 1 59 59 ASN CA C 59 51.485 51.485 52.017 -0.532 18518 2344 1 4 . 1 1 59 59 ASN CB C 59 40.107 40.107 40.212 -0.105 18518 2345 1 4 . 1 1 59 59 ASN H H 59 8.735 8.735 9.218 -0.483 18518 2346 1 4 . 1 1 60 60 MET N N 60 117.453 117.453 118.611 -1.158 18518 2347 1 4 . 1 1 60 60 MET HA H 60 4.395 4.395 4.058 0.337 18518 2348 1 4 . 1 1 60 60 MET C C 60 178.144 178.144 178.274 -0.130 18518 2349 1 4 . 1 1 60 60 MET CA C 60 57.097 57.097 58.059 -0.962 18518 2350 1 4 . 1 1 60 60 MET CB C 60 30.140 30.140 30.779 -0.638 18518 2351 1 4 . 1 1 60 60 MET H H 60 8.227 8.227 8.894 -0.667 18518 2352 1 4 . 1 1 61 61 SER N N 61 114.216 114.216 115.111 -0.895 18518 2353 1 4 . 1 1 61 61 SER HA H 61 4.111 4.111 4.068 0.043 18518 2354 1 4 . 1 1 61 61 SER C C 61 177.335 177.335 176.625 0.710 18518 2355 1 4 . 1 1 61 61 SER CA C 61 61.590 61.590 62.747 -1.157 18518 2356 1 4 . 1 1 61 61 SER CB C 61 62.402 62.402 62.783 -0.381 18518 2357 1 4 . 1 1 61 61 SER H H 61 8.464 8.464 8.362 0.102 18518 2358 1 4 . 1 1 62 62 GLU N N 62 123.004 123.004 121.386 1.618 18518 2359 1 4 . 1 1 62 62 GLU HA H 62 4.047 4.047 4.132 -0.085 18518 2360 1 4 . 1 1 62 62 GLU C C 62 178.686 178.686 178.702 -0.016 18518 2361 1 4 . 1 1 62 62 GLU CA C 62 58.625 58.625 58.801 -0.176 18518 2362 1 4 . 1 1 62 62 GLU CB C 62 29.654 29.654 29.146 0.508 18518 2363 1 4 . 1 1 62 62 GLU H H 62 7.994 7.994 7.698 0.296 18518 2364 1 4 . 1 1 63 63 LEU N N 63 120.818 120.818 122.653 -1.835 18518 2365 1 4 . 1 1 63 63 LEU HA H 63 3.965 3.965 3.986 -0.021 18518 2366 1 4 . 1 1 63 63 LEU C C 63 178.046 178.046 178.807 -0.761 18518 2367 1 4 . 1 1 63 63 LEU CA C 63 57.920 57.920 57.972 -0.052 18518 2368 1 4 . 1 1 63 63 LEU CB C 63 41.624 41.624 41.379 0.245 18518 2369 1 4 . 1 1 63 63 LEU H H 63 8.130 8.130 8.254 -0.124 18518 2370 1 4 . 1 1 64 64 ILE N N 64 118.528 118.528 119.501 -0.973 18518 2371 1 4 . 1 1 64 64 ILE HA H 64 3.369 3.369 3.560 -0.191 18518 2372 1 4 . 1 1 64 64 ILE C C 64 177.127 177.127 177.681 -0.554 18518 2373 1 4 . 1 1 64 64 ILE CA C 64 66.678 66.678 65.796 0.882 18518 2374 1 4 . 1 1 64 64 ILE CB C 64 38.444 38.444 37.642 0.801 18518 2375 1 4 . 1 1 64 64 ILE H H 64 8.488 8.488 8.602 -0.114 18518 2376 1 4 . 1 1 65 65 LYS N N 65 118.336 118.336 120.937 -2.601 18518 2377 1 4 . 1 1 65 65 LYS HA H 65 3.701 3.701 3.979 -0.278 18518 2378 1 4 . 1 1 65 65 LYS C C 65 179.291 179.291 179.096 0.195 18518 2379 1 4 . 1 1 65 65 LYS CA C 65 60.440 60.440 59.982 0.458 18518 2380 1 4 . 1 1 65 65 LYS CB C 65 32.371 32.371 32.324 0.047 18518 2381 1 4 . 1 1 65 65 LYS H H 65 7.347 7.347 7.596 -0.249 18518 2382 1 4 . 1 1 66 66 ILE N N 66 120.171 120.171 119.952 0.219 18518 2383 1 4 . 1 1 66 66 ILE HA H 66 3.578 3.578 3.669 -0.091 18518 2384 1 4 . 1 1 66 66 ILE C C 66 178.873 178.873 178.287 0.586 18518 2385 1 4 . 1 1 66 66 ILE CA C 66 65.160 65.160 65.061 0.099 18518 2386 1 4 . 1 1 66 66 ILE CB C 66 38.633 38.633 37.864 0.769 18518 2387 1 4 . 1 1 66 66 ILE H H 66 7.901 7.901 8.342 -0.441 18518 2388 1 4 . 1 1 67 67 ILE N N 67 121.185 121.185 120.905 0.280 18518 2389 1 4 . 1 1 67 67 ILE HA H 67 3.446 3.446 3.608 -0.162 18518 2390 1 4 . 1 1 67 67 ILE C C 67 177.150 177.150 177.509 -0.359 18518 2391 1 4 . 1 1 67 67 ILE CA C 67 62.806 62.806 64.587 -1.781 18518 2392 1 4 . 1 1 67 67 ILE CB C 67 34.995 34.995 37.501 -2.506 18518 2393 1 4 . 1 1 67 67 ILE H H 67 8.290 8.290 7.966 0.324 18518 2394 1 4 . 1 1 68 68 ARG N N 68 119.173 119.173 119.009 0.164 18518 2395 1 4 . 1 1 68 68 ARG HA H 68 2.931 2.931 3.762 -0.831 18518 2396 1 4 . 1 1 68 68 ARG C C 68 178.496 178.496 178.686 -0.190 18518 2397 1 4 . 1 1 68 68 ARG CA C 68 60.636 60.636 59.617 1.019 18518 2398 1 4 . 1 1 68 68 ARG CB C 68 30.440 30.440 29.728 0.712 18518 2399 1 4 . 1 1 68 68 ARG H H 68 8.438 8.438 8.314 0.124 18518 2400 1 4 . 1 1 69 69 ARG N N 69 116.511 116.511 121.074 -4.563 18518 2401 1 4 . 1 1 69 69 ARG HA H 69 4.134 4.134 4.086 0.048 18518 2402 1 4 . 1 1 69 69 ARG C C 69 180.262 180.262 178.385 1.877 18518 2403 1 4 . 1 1 69 69 ARG CA C 69 58.707 58.707 58.865 -0.158 18518 2404 1 4 . 1 1 69 69 ARG CB C 69 29.953 29.953 30.067 -0.115 18518 2405 1 4 . 1 1 69 69 ARG H H 69 7.497 7.497 8.364 -0.867 18518 2406 1 4 . 1 1 70 70 ARG N N 70 123.297 123.297 117.832 5.465 18518 2407 1 4 . 1 1 70 70 ARG HA H 70 4.016 4.016 4.205 -0.189 18518 2408 1 4 . 1 1 70 70 ARG C C 70 178.700 178.700 178.332 0.368 18518 2409 1 4 . 1 1 70 70 ARG CA C 70 59.460 59.460 58.390 1.070 18518 2410 1 4 . 1 1 70 70 ARG CB C 70 30.312 30.312 30.259 0.053 18518 2411 1 4 . 1 1 70 70 ARG H H 70 8.075 8.075 7.842 0.233 18518 2412 1 4 . 1 1 71 71 LEU N N 71 116.829 116.829 118.879 -2.050 18518 2413 1 4 . 1 1 71 71 LEU HA H 71 4.065 4.065 4.242 -0.177 18518 2414 1 4 . 1 1 71 71 LEU C C 71 174.956 174.956 176.690 -1.734 18518 2415 1 4 . 1 1 71 71 LEU CA C 71 55.126 55.126 55.969 -0.843 18518 2416 1 4 . 1 1 71 71 LEU CB C 71 43.246 43.246 41.992 1.254 18518 2417 1 4 . 1 1 71 71 LEU H H 71 7.719 7.719 8.051 -0.332 18518 2418 1 4 . 1 1 72 72 GLN N N 72 114.991 114.991 114.879 0.112 18518 2419 1 4 . 1 1 72 72 GLN HA H 72 3.836 3.836 3.908 -0.072 18518 2420 1 4 . 1 1 72 72 GLN C C 72 175.683 175.683 175.288 0.395 18518 2421 1 4 . 1 1 72 72 GLN CA C 72 56.325 56.325 56.155 0.170 18518 2422 1 4 . 1 1 72 72 GLN CB C 72 26.004 26.004 26.398 -0.394 18518 2423 1 4 . 1 1 72 72 GLN H H 72 7.744 7.744 7.947 -0.203 18518 2424 1 4 . 1 1 73 73 LEU N N 73 115.045 115.045 118.106 -3.061 18518 2425 1 4 . 1 1 73 73 LEU HA H 73 4.236 4.236 4.218 0.018 18518 2426 1 4 . 1 1 73 73 LEU C C 73 178.762 178.762 177.693 1.069 18518 2427 1 4 . 1 1 73 73 LEU CA C 73 54.386 54.386 53.849 0.537 18518 2428 1 4 . 1 1 73 73 LEU CB C 73 42.091 42.091 41.890 0.201 18518 2429 1 4 . 1 1 73 73 LEU H H 73 7.500 7.500 7.887 -0.387 18518 2430 1 4 . 1 1 74 74 ASN N N 74 121.700 121.700 118.599 3.101 18518 2431 1 4 . 1 1 74 74 ASN HA H 74 4.690 4.690 4.584 0.106 18518 2432 1 4 . 1 1 74 74 ASN C C 74 176.617 176.617 175.932 0.685 18518 2433 1 4 . 1 1 74 74 ASN CA C 74 52.685 52.685 53.530 -0.845 18518 2434 1 4 . 1 1 74 74 ASN CB C 74 39.598 39.598 39.791 -0.193 18518 2435 1 4 . 1 1 74 74 ASN H H 74 9.045 9.045 8.372 0.673 18518 2436 1 4 . 1 1 75 75 ALA N N 75 123.952 123.952 124.400 -0.448 18518 2437 1 4 . 1 1 75 75 ALA HA H 75 3.964 3.964 4.263 -0.299 18518 2438 1 4 . 1 1 75 75 ALA C C 75 178.131 178.131 177.776 0.355 18518 2439 1 4 . 1 1 75 75 ALA CA C 75 54.868 54.868 53.763 1.105 18518 2440 1 4 . 1 1 75 75 ALA CB C 75 18.718 18.718 18.956 -0.238 18518 2441 1 4 . 1 1 75 75 ALA H H 75 8.784 8.784 8.452 0.332 18518 2442 1 4 . 1 1 76 76 ASN N N 76 112.295 112.295 116.204 -3.909 18518 2443 1 4 . 1 1 76 76 ASN HA H 76 4.580 4.580 4.611 -0.031 18518 2444 1 4 . 1 1 76 76 ASN C C 76 175.448 175.448 175.269 0.179 18518 2445 1 4 . 1 1 76 76 ASN CA C 76 53.214 53.214 53.523 -0.309 18518 2446 1 4 . 1 1 76 76 ASN CB C 76 38.320 38.320 38.604 -0.284 18518 2447 1 4 . 1 1 76 76 ASN H H 76 8.391 8.391 8.731 -0.340 18518 2448 1 4 . 1 1 77 77 GLN N N 77 120.577 120.577 118.667 1.910 18518 2449 1 4 . 1 1 77 77 GLN HA H 77 4.273 4.273 4.565 -0.292 18518 2450 1 4 . 1 1 77 77 GLN C C 77 175.045 175.045 173.895 1.150 18518 2451 1 4 . 1 1 77 77 GLN CA C 77 55.805 55.805 54.986 0.820 18518 2452 1 4 . 1 1 77 77 GLN CB C 77 30.157 30.157 30.942 -0.785 18518 2453 1 4 . 1 1 77 77 GLN H H 77 7.552 7.552 7.317 0.235 18518 2454 1 4 . 1 1 78 78 ALA N N 78 130.670 130.670 125.061 5.609 18518 2455 1 4 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.662 -0.491 18518 2456 1 4 . 1 1 78 78 ALA C C 78 176.512 176.512 175.255 1.257 18518 2457 1 4 . 1 1 78 78 ALA CA C 78 52.842 52.842 51.309 1.533 18518 2458 1 4 . 1 1 78 78 ALA CB C 78 20.060 20.060 21.714 -1.654 18518 2459 1 4 . 1 1 78 78 ALA H H 78 8.799 8.799 8.883 -0.084 18518 2460 1 4 . 1 1 79 79 PHE N N 79 119.325 119.325 116.702 2.623 18518 2461 1 4 . 1 1 79 79 PHE HA H 79 4.434 4.434 5.283 -0.849 18518 2462 1 4 . 1 1 79 79 PHE C C 79 171.726 171.726 172.883 -1.157 18518 2463 1 4 . 1 1 79 79 PHE CA C 79 59.145 59.145 55.164 3.981 18518 2464 1 4 . 1 1 79 79 PHE CB C 79 42.171 42.171 41.656 0.515 18518 2465 1 4 . 1 1 79 79 PHE H H 79 7.664 7.664 8.324 -0.660 18518 2466 1 4 . 1 1 80 80 PHE N N 80 126.314 126.314 117.488 8.826 18518 2467 1 4 . 1 1 80 80 PHE HA H 80 4.392 4.392 4.340 0.052 18518 2468 1 4 . 1 1 80 80 PHE C C 80 177.169 177.169 173.127 4.042 18518 2469 1 4 . 1 1 80 80 PHE CA C 80 56.653 56.653 56.461 0.192 18518 2470 1 4 . 1 1 80 80 PHE CB C 80 41.933 41.933 43.315 -1.382 18518 2471 1 4 . 1 1 80 80 PHE H H 80 8.508 8.508 8.961 -0.453 18518 2472 1 4 . 1 1 81 81 LEU N N 81 121.426 121.426 122.987 -1.561 18518 2473 1 4 . 1 1 81 81 LEU HA H 81 4.851 4.851 5.076 -0.225 18518 2474 1 4 . 1 1 81 81 LEU C C 81 174.488 174.488 175.072 -0.584 18518 2475 1 4 . 1 1 81 81 LEU CA C 81 53.197 53.197 54.342 -1.145 18518 2476 1 4 . 1 1 81 81 LEU CB C 81 45.100 45.100 43.841 1.259 18518 2477 1 4 . 1 1 81 81 LEU H H 81 8.229 8.229 8.372 -0.143 18518 2478 1 4 . 1 1 82 82 LEU N N 82 125.155 125.155 127.240 -2.085 18518 2479 1 4 . 1 1 82 82 LEU HA H 82 4.833 4.833 4.540 0.293 18518 2480 1 4 . 1 1 82 82 LEU C C 82 177.166 177.166 175.761 1.405 18518 2481 1 4 . 1 1 82 82 LEU CA C 82 54.197 54.197 53.753 0.444 18518 2482 1 4 . 1 1 82 82 LEU CB C 82 43.442 43.442 43.825 -0.383 18518 2483 1 4 . 1 1 82 82 LEU H H 82 9.400 9.400 9.068 0.332 18518 2484 1 4 . 1 1 83 83 VAL N N 83 123.886 123.886 119.942 3.944 18518 2485 1 4 . 1 1 83 83 VAL HA H 83 4.379 4.379 4.573 -0.194 18518 2486 1 4 . 1 1 83 83 VAL C C 83 175.810 175.810 176.447 -0.637 18518 2487 1 4 . 1 1 83 83 VAL CA C 83 61.677 61.677 61.417 0.260 18518 2488 1 4 . 1 1 83 83 VAL CB C 83 33.758 33.758 32.897 0.861 18518 2489 1 4 . 1 1 83 83 VAL H H 83 8.721 8.721 8.285 0.436 18518 2490 1 4 . 1 1 84 84 ASN N N 84 126.474 126.474 125.065 1.409 18518 2491 1 4 . 1 1 84 84 ASN HA H 84 4.396 4.396 4.468 -0.072 18518 2492 1 4 . 1 1 84 84 ASN C C 84 175.164 175.164 175.566 -0.402 18518 2493 1 4 . 1 1 84 84 ASN CA C 84 54.738 54.738 54.963 -0.225 18518 2494 1 4 . 1 1 84 84 ASN CB C 84 37.950 37.950 38.066 -0.116 18518 2495 1 4 . 1 1 84 84 ASN H H 84 9.707 9.707 9.334 0.373 18518 2496 1 4 . 1 1 85 85 GLY N N 85 101.296 101.296 104.382 -3.086 18518 2497 1 4 . 1 1 85 85 GLY C C 85 173.680 173.680 173.078 0.602 18518 2498 1 4 . 1 1 85 85 GLY CA C 85 45.603 45.603 45.349 0.254 18518 2499 1 4 . 1 1 85 85 GLY H H 85 8.644 8.644 8.634 0.010 18518 2500 1 4 . 1 1 86 86 HIS N N 86 117.238 117.238 114.034 3.204 18518 2501 1 4 . 1 1 86 86 HIS HA H 86 5.017 5.017 4.901 0.116 18518 2502 1 4 . 1 1 86 86 HIS C C 86 173.841 173.841 174.034 -0.193 18518 2503 1 4 . 1 1 86 86 HIS CA C 86 53.796 53.796 53.251 0.545 18518 2504 1 4 . 1 1 86 86 HIS CB C 86 31.280 31.280 32.302 -1.022 18518 2505 1 4 . 1 1 86 86 HIS H H 86 7.918 7.918 8.040 -0.122 18518 2506 1 4 . 1 1 87 87 SER N N 87 118.179 118.179 120.223 -2.044 18518 2507 1 4 . 1 1 87 87 SER HA H 87 4.699 4.699 4.505 0.194 18518 2508 1 4 . 1 1 87 87 SER C C 87 175.904 175.904 174.426 1.478 18518 2509 1 4 . 1 1 87 87 SER CA C 87 58.271 58.271 57.820 0.451 18518 2510 1 4 . 1 1 87 87 SER CB C 87 63.735 63.735 61.822 1.913 18518 2511 1 4 . 1 1 87 87 SER H H 87 8.977 8.977 8.847 0.130 18518 2512 1 4 . 1 1 88 88 MET N N 88 125.472 125.472 123.370 2.102 18518 2513 1 4 . 1 1 88 88 MET HA H 88 4.830 4.830 4.706 0.124 18518 2514 1 4 . 1 1 88 88 MET C C 88 176.419 176.419 175.529 0.890 18518 2515 1 4 . 1 1 88 88 MET CA C 88 54.899 54.899 56.373 -1.474 18518 2516 1 4 . 1 1 88 88 MET CB C 88 33.336 33.336 33.552 -0.216 18518 2517 1 4 . 1 1 88 88 MET H H 88 9.184 9.184 7.675 1.509 18518 2518 1 4 . 1 1 89 89 VAL N N 89 120.747 120.747 120.719 0.028 18518 2519 1 4 . 1 1 89 89 VAL HA H 89 4.232 4.232 4.335 -0.102 18518 2520 1 4 . 1 1 89 89 VAL C C 89 175.958 175.958 175.936 0.022 18518 2521 1 4 . 1 1 89 89 VAL CA C 89 63.154 63.154 60.620 2.534 18518 2522 1 4 . 1 1 89 89 VAL CB C 89 31.878 31.878 33.486 -1.607 18518 2523 1 4 . 1 1 89 89 VAL H H 89 8.233 8.233 7.366 0.867 18518 2524 1 4 . 1 1 90 90 SER N N 90 117.362 117.362 119.067 -1.705 18518 2525 1 4 . 1 1 90 90 SER HA H 90 4.590 4.590 4.495 0.095 18518 2526 1 4 . 1 1 90 90 SER C C 90 175.741 175.741 175.895 -0.154 18518 2527 1 4 . 1 1 90 90 SER CA C 90 57.717 57.717 58.019 -0.302 18518 2528 1 4 . 1 1 90 90 SER CB C 90 63.223 63.223 64.075 -0.852 18518 2529 1 4 . 1 1 90 90 SER H H 90 8.482 8.482 8.518 -0.036 18518 2530 1 4 . 1 1 91 91 VAL N N 91 120.466 120.466 119.675 0.791 18518 2531 1 4 . 1 1 91 91 VAL HA H 91 4.047 4.047 3.954 0.093 18518 2532 1 4 . 1 1 91 91 VAL C C 91 176.329 176.329 175.930 0.399 18518 2533 1 4 . 1 1 91 91 VAL CA C 91 63.492 63.492 64.484 -0.992 18518 2534 1 4 . 1 1 91 91 VAL CB C 91 32.568 32.568 31.827 0.741 18518 2535 1 4 . 1 1 91 91 VAL H H 91 8.188 8.188 8.726 -0.538 18518 2536 1 4 . 1 1 92 92 SER N N 92 116.398 116.398 112.857 3.541 18518 2537 1 4 . 1 1 92 92 SER HA H 92 4.636 4.636 4.529 0.107 18518 2538 1 4 . 1 1 92 92 SER C C 92 174.159 174.159 174.710 -0.551 18518 2539 1 4 . 1 1 92 92 SER CA C 92 57.805 57.805 58.784 -0.979 18518 2540 1 4 . 1 1 92 92 SER CB C 92 63.046 63.046 63.290 -0.244 18518 2541 1 4 . 1 1 92 92 SER H H 92 8.370 8.370 7.928 0.442 18518 2542 1 4 . 1 1 93 93 THR N N 93 119.211 119.211 121.391 -2.180 18518 2543 1 4 . 1 1 93 93 THR HA H 93 4.484 4.484 4.354 0.130 18518 2544 1 4 . 1 1 93 93 THR CA C 93 60.884 60.884 62.528 -1.644 18518 2545 1 4 . 1 1 93 93 THR CB C 93 70.609 70.609 68.650 1.959 18518 2546 1 4 . 1 1 93 93 THR H H 93 7.416 7.416 7.322 0.094 18518 2547 1 4 . 1 1 94 94 PRO HA H 94 4.440 4.440 4.511 -0.071 18518 2548 1 4 . 1 1 94 94 PRO C C 94 178.775 178.775 177.380 1.395 18518 2549 1 4 . 1 1 94 94 PRO CA C 94 62.943 62.943 62.598 0.345 18518 2550 1 4 . 1 1 94 94 PRO CB C 94 32.649 32.649 32.459 0.189 18518 2551 1 4 . 1 1 95 95 ILE N N 95 124.174 124.174 123.607 0.567 18518 2552 1 4 . 1 1 95 95 ILE HA H 95 3.949 3.949 3.810 0.139 18518 2553 1 4 . 1 1 95 95 ILE C C 95 176.498 176.498 176.989 -0.491 18518 2554 1 4 . 1 1 95 95 ILE CA C 95 63.904 63.904 62.230 1.674 18518 2555 1 4 . 1 1 95 95 ILE CB C 95 38.182 38.182 38.116 0.066 18518 2556 1 4 . 1 1 95 95 ILE H H 95 9.305 9.305 8.586 0.719 18518 2557 1 4 . 1 1 96 96 SER N N 96 116.920 116.920 117.072 -0.152 18518 2558 1 4 . 1 1 96 96 SER HA H 96 4.029 4.029 4.129 -0.100 18518 2559 1 4 . 1 1 96 96 SER C C 96 176.574 176.574 176.331 0.243 18518 2560 1 4 . 1 1 96 96 SER CA C 96 61.356 61.356 62.154 -0.798 18518 2561 1 4 . 1 1 96 96 SER CB C 96 61.723 61.723 62.515 -0.792 18518 2562 1 4 . 1 1 96 96 SER H H 96 8.335 8.335 7.878 0.457 18518 2563 1 4 . 1 1 97 97 GLU N N 97 123.255 123.255 122.196 1.059 18518 2564 1 4 . 1 1 97 97 GLU HA H 97 4.278 4.278 4.203 0.075 18518 2565 1 4 . 1 1 97 97 GLU C C 97 179.716 179.716 179.045 0.671 18518 2566 1 4 . 1 1 97 97 GLU CA C 97 58.792 58.792 58.723 0.069 18518 2567 1 4 . 1 1 97 97 GLU CB C 97 29.562 29.562 29.303 0.259 18518 2568 1 4 . 1 1 97 97 GLU H H 97 7.376 7.376 7.799 -0.423 18518 2569 1 4 . 1 1 98 98 VAL N N 98 121.137 121.137 120.654 0.483 18518 2570 1 4 . 1 1 98 98 VAL HA H 98 3.802 3.802 3.667 0.135 18518 2571 1 4 . 1 1 98 98 VAL C C 98 177.637 177.637 178.012 -0.375 18518 2572 1 4 . 1 1 98 98 VAL CA C 98 65.824 65.824 66.387 -0.563 18518 2573 1 4 . 1 1 98 98 VAL CB C 98 32.154 32.154 30.881 1.273 18518 2574 1 4 . 1 1 98 98 VAL H H 98 7.387 7.387 7.938 -0.551 18518 2575 1 4 . 1 1 99 99 TYR N N 99 118.927 118.927 121.671 -2.744 18518 2576 1 4 . 1 1 99 99 TYR HA H 99 3.990 3.990 4.046 -0.056 18518 2577 1 4 . 1 1 99 99 TYR C C 99 176.081 176.081 177.108 -1.027 18518 2578 1 4 . 1 1 99 99 TYR CA C 99 62.223 62.223 61.461 0.762 18518 2579 1 4 . 1 1 99 99 TYR CB C 99 38.982 38.982 38.335 0.647 18518 2580 1 4 . 1 1 99 99 TYR H H 99 9.048 9.048 8.407 0.641 18518 2581 1 4 . 1 1 100 100 GLU N N 100 113.894 113.894 116.743 -2.849 18518 2582 1 4 . 1 1 100 100 GLU HA H 100 3.846 3.846 3.314 0.532 18518 2583 1 4 . 1 1 100 100 GLU C C 100 177.989 177.989 178.102 -0.113 18518 2584 1 4 . 1 1 100 100 GLU CA C 100 59.087 59.087 58.292 0.795 18518 2585 1 4 . 1 1 100 100 GLU CB C 100 29.382 29.382 28.787 0.595 18518 2586 1 4 . 1 1 100 100 GLU H H 100 7.422 7.422 7.895 -0.473 18518 2587 1 4 . 1 1 101 101 SER N N 101 108.991 108.991 113.580 -4.589 18518 2588 1 4 . 1 1 101 101 SER HA H 101 4.524 4.524 4.380 0.144 18518 2589 1 4 . 1 1 101 101 SER C C 101 176.628 176.628 175.540 1.088 18518 2590 1 4 . 1 1 101 101 SER CA C 101 60.349 60.349 60.172 0.177 18518 2591 1 4 . 1 1 101 101 SER CB C 101 64.741 64.741 64.054 0.687 18518 2592 1 4 . 1 1 101 101 SER H H 101 7.424 7.424 7.763 -0.339 18518 2593 1 4 . 1 1 102 102 GLU N N 102 116.533 116.533 119.074 -2.541 18518 2594 1 4 . 1 1 102 102 GLU HA H 102 4.744 4.744 4.535 0.209 18518 2595 1 4 . 1 1 102 102 GLU C C 102 176.774 176.774 175.941 0.833 18518 2596 1 4 . 1 1 102 102 GLU CA C 102 55.581 55.581 54.877 0.704 18518 2597 1 4 . 1 1 102 102 GLU CB C 102 30.697 30.697 30.407 0.290 18518 2598 1 4 . 1 1 102 102 GLU H H 102 8.487 8.487 8.022 0.465 18518 2599 1 4 . 1 1 103 103 LYS N N 103 118.370 118.370 119.080 -0.710 18518 2600 1 4 . 1 1 103 103 LYS HA H 103 4.178 4.178 4.108 0.070 18518 2601 1 4 . 1 1 103 103 LYS C C 103 175.018 175.018 176.708 -1.690 18518 2602 1 4 . 1 1 103 103 LYS CA C 103 57.329 57.329 56.949 0.380 18518 2603 1 4 . 1 1 103 103 LYS CB C 103 32.186 32.186 32.186 0.000 18518 2604 1 4 . 1 1 103 103 LYS H H 103 7.831 7.831 7.582 0.249 18518 2605 1 4 . 1 1 104 104 ASP N N 104 123.500 123.500 123.213 0.287 18518 2606 1 4 . 1 1 104 104 ASP HA H 104 4.755 4.755 4.739 0.016 18518 2607 1 4 . 1 1 104 104 ASP C C 104 177.383 177.383 177.329 0.054 18518 2608 1 4 . 1 1 104 104 ASP CA C 104 53.846 53.846 54.287 -0.441 18518 2609 1 4 . 1 1 104 104 ASP CB C 104 43.411 43.411 43.070 0.341 18518 2610 1 4 . 1 1 104 104 ASP H H 104 9.041 9.041 8.333 0.708 18518 2611 1 4 . 1 1 105 105 GLU N N 105 125.448 125.448 118.430 7.018 18518 2612 1 4 . 1 1 105 105 GLU HA H 105 4.180 4.180 4.229 -0.049 18518 2613 1 4 . 1 1 105 105 GLU C C 105 177.519 177.519 177.198 0.321 18518 2614 1 4 . 1 1 105 105 GLU CA C 105 59.529 59.529 58.690 0.839 18518 2615 1 4 . 1 1 105 105 GLU CB C 105 30.044 30.044 29.760 0.284 18518 2616 1 4 . 1 1 105 105 GLU H H 105 8.906 8.906 8.958 -0.052 18518 2617 1 4 . 1 1 106 106 ASP N N 106 118.824 118.824 115.852 2.972 18518 2618 1 4 . 1 1 106 106 ASP HA H 106 4.179 4.179 4.647 -0.468 18518 2619 1 4 . 1 1 106 106 ASP C C 106 176.223 176.223 176.977 -0.754 18518 2620 1 4 . 1 1 106 106 ASP CA C 106 54.756 54.756 53.760 0.997 18518 2621 1 4 . 1 1 106 106 ASP CB C 106 39.999 39.999 41.461 -1.462 18518 2622 1 4 . 1 1 106 106 ASP H H 106 10.036 10.036 7.980 2.056 18518 2623 1 4 . 1 1 107 107 GLY N N 107 105.866 105.866 107.535 -1.669 18518 2624 1 4 . 1 1 107 107 GLY C C 107 175.136 175.136 174.681 0.455 18518 2625 1 4 . 1 1 107 107 GLY CA C 107 45.222 45.222 45.200 0.022 18518 2626 1 4 . 1 1 107 107 GLY H H 107 8.001 8.001 7.391 0.610 18518 2627 1 4 . 1 1 108 108 PHE N N 108 123.820 123.820 121.129 2.691 18518 2628 1 4 . 1 1 108 108 PHE HA H 108 4.662 4.662 4.506 0.156 18518 2629 1 4 . 1 1 108 108 PHE C C 108 174.899 174.899 174.945 -0.046 18518 2630 1 4 . 1 1 108 108 PHE CA C 108 60.238 60.238 59.605 0.633 18518 2631 1 4 . 1 1 108 108 PHE CB C 108 40.365 40.365 40.156 0.209 18518 2632 1 4 . 1 1 108 108 PHE H H 108 9.912 9.912 8.566 1.346 18518 2633 1 4 . 1 1 109 109 LEU N N 109 120.130 120.130 121.657 -1.527 18518 2634 1 4 . 1 1 109 109 LEU HA H 109 5.030 5.030 4.844 0.186 18518 2635 1 4 . 1 1 109 109 LEU C C 109 173.916 173.916 174.901 -0.985 18518 2636 1 4 . 1 1 109 109 LEU CA C 109 53.424 53.424 53.671 -0.247 18518 2637 1 4 . 1 1 109 109 LEU CB C 109 45.203 45.203 43.961 1.242 18518 2638 1 4 . 1 1 109 109 LEU H H 109 7.997 7.997 8.475 -0.478 18518 2639 1 4 . 1 1 110 110 TYR N N 110 126.579 126.579 125.236 1.343 18518 2640 1 4 . 1 1 110 110 TYR HA H 110 5.003 5.003 4.597 0.406 18518 2641 1 4 . 1 1 110 110 TYR C C 110 176.671 176.671 175.514 1.157 18518 2642 1 4 . 1 1 110 110 TYR CA C 110 59.058 59.058 59.109 -0.051 18518 2643 1 4 . 1 1 110 110 TYR CB C 110 39.556 39.556 39.482 0.074 18518 2644 1 4 . 1 1 110 110 TYR H H 110 9.377 9.377 8.926 0.451 18518 2645 1 4 . 1 1 111 111 MET N N 111 119.240 119.240 120.731 -1.491 18518 2646 1 4 . 1 1 111 111 MET HA H 111 5.486 5.486 5.387 0.099 18518 2647 1 4 . 1 1 111 111 MET C C 111 175.695 175.695 174.603 1.092 18518 2648 1 4 . 1 1 111 111 MET CA C 111 54.124 54.124 54.884 -0.760 18518 2649 1 4 . 1 1 111 111 MET CB C 111 36.960 36.960 37.538 -0.578 18518 2650 1 4 . 1 1 111 111 MET H H 111 9.658 9.658 8.873 0.784 18518 2651 1 4 . 1 1 112 112 VAL N N 112 119.865 119.865 120.276 -0.411 18518 2652 1 4 . 1 1 112 112 VAL HA H 112 5.963 5.963 5.503 0.460 18518 2653 1 4 . 1 1 112 112 VAL C C 112 175.058 175.058 174.832 0.226 18518 2654 1 4 . 1 1 112 112 VAL CA C 112 58.911 58.911 59.745 -0.834 18518 2655 1 4 . 1 1 112 112 VAL CB C 112 36.051 36.051 34.991 1.060 18518 2656 1 4 . 1 1 112 112 VAL H H 112 8.794 8.794 9.089 -0.295 18518 2657 1 4 . 1 1 113 113 TYR N N 113 119.664 119.664 121.727 -2.063 18518 2658 1 4 . 1 1 113 113 TYR HA H 113 6.118 6.118 5.676 0.442 18518 2659 1 4 . 1 1 113 113 TYR C C 113 173.375 173.375 173.415 -0.040 18518 2660 1 4 . 1 1 113 113 TYR CA C 113 54.153 54.153 55.052 -0.899 18518 2661 1 4 . 1 1 113 113 TYR CB C 113 43.312 43.312 41.904 1.408 18518 2662 1 4 . 1 1 113 113 TYR H H 113 8.315 8.315 8.577 -0.262 18518 2663 1 4 . 1 1 114 114 ALA N N 114 119.763 119.763 122.618 -2.855 18518 2664 1 4 . 1 1 114 114 ALA HA H 114 4.800 4.800 4.856 -0.056 18518 2665 1 4 . 1 1 114 114 ALA C C 114 176.216 176.216 174.708 1.508 18518 2666 1 4 . 1 1 114 114 ALA CA C 114 51.132 51.132 52.230 -1.098 18518 2667 1 4 . 1 1 114 114 ALA CB C 114 24.596 24.596 22.256 2.340 18518 2668 1 4 . 1 1 114 114 ALA H H 114 8.465 8.465 8.821 -0.356 18518 2669 1 4 . 1 1 115 115 SER N N 115 114.763 114.763 115.890 -1.127 18518 2670 1 4 . 1 1 115 115 SER HA H 115 4.496 4.496 4.908 -0.412 18518 2671 1 4 . 1 1 115 115 SER C C 115 172.671 172.671 173.336 -0.665 18518 2672 1 4 . 1 1 115 115 SER CA C 115 58.651 58.651 57.282 1.369 18518 2673 1 4 . 1 1 115 115 SER CB C 115 63.526 63.526 61.934 1.593 18518 2674 1 4 . 1 1 115 115 SER H H 115 9.915 9.915 9.041 0.874 18518 2675 1 4 . 1 1 116 116 GLN N N 116 116.611 116.611 123.027 -6.416 18518 2676 1 4 . 1 1 116 116 GLN HA H 116 4.484 4.484 4.550 -0.066 18518 2677 1 4 . 1 1 116 116 GLN C C 116 172.733 172.733 173.365 -0.632 18518 2678 1 4 . 1 1 116 116 GLN CA C 116 53.926 53.926 55.549 -1.623 18518 2679 1 4 . 1 1 116 116 GLN CB C 116 32.358 32.358 29.866 2.492 18518 2680 1 4 . 1 1 116 116 GLN H H 116 7.219 7.219 7.863 -0.644 18518 2681 1 4 . 1 1 117 117 GLU N N 117 117.623 117.623 119.783 -2.160 18518 2682 1 4 . 1 1 117 117 GLU HA H 117 3.287 3.287 3.434 -0.147 18518 2683 1 4 . 1 1 117 117 GLU C C 117 175.168 175.168 175.693 -0.525 18518 2684 1 4 . 1 1 117 117 GLU CA C 117 56.882 56.882 56.035 0.847 18518 2685 1 4 . 1 1 117 117 GLU CB C 117 30.522 30.522 29.705 0.817 18518 2686 1 4 . 1 1 117 117 GLU H H 117 7.882 7.882 8.565 -0.683 18518 2687 1 4 . 1 1 118 118 THR N N 118 109.820 109.820 110.807 -0.987 18518 2688 1 4 . 1 1 118 118 THR HA H 118 4.066 4.066 4.324 -0.258 18518 2689 1 4 . 1 1 118 118 THR C C 118 172.355 172.355 173.736 -1.381 18518 2690 1 4 . 1 1 118 118 THR CA C 118 60.029 60.029 60.670 -0.641 18518 2691 1 4 . 1 1 118 118 THR CB C 118 70.480 70.480 69.843 0.637 18518 2692 1 4 . 1 1 118 118 THR H H 118 6.992 6.992 7.320 -0.328 18518 2693 1 5 . 1 1 2 2 ALA HA H 2 4.336 4.336 5.264 -0.928 18518 2694 1 5 . 1 1 2 2 ALA C C 2 177.974 177.974 176.751 1.223 18518 2695 1 5 . 1 1 2 2 ALA CA C 2 52.785 52.785 51.465 1.320 18518 2696 1 5 . 1 1 2 2 ALA CB C 2 19.444 19.444 20.782 -1.337 18518 2697 1 5 . 1 1 3 3 MET N N 3 119.311 119.311 121.802 -2.491 18518 2698 1 5 . 1 1 3 3 MET HA H 3 4.451 4.451 4.681 -0.230 18518 2699 1 5 . 1 1 3 3 MET C C 3 176.913 176.913 175.681 1.232 18518 2700 1 5 . 1 1 3 3 MET CA C 3 55.679 55.679 55.284 0.395 18518 2701 1 5 . 1 1 3 3 MET CB C 3 32.590 32.590 35.992 -3.401 18518 2702 1 5 . 1 1 3 3 MET H H 3 8.638 8.638 8.593 0.045 18518 2703 1 5 . 1 1 4 4 GLY N N 4 110.281 110.281 110.972 -0.691 18518 2704 1 5 . 1 1 4 4 GLY C C 4 174.180 174.180 173.621 0.559 18518 2705 1 5 . 1 1 4 4 GLY CA C 4 45.495 45.495 44.688 0.807 18518 2706 1 5 . 1 1 4 4 GLY H H 4 8.552 8.552 8.667 -0.115 18518 2707 1 5 . 1 1 5 5 LYS N N 5 120.818 120.818 125.148 -4.330 18518 2708 1 5 . 1 1 5 5 LYS HA H 5 4.509 4.509 4.642 -0.133 18518 2709 1 5 . 1 1 5 5 LYS C C 5 177.605 177.605 175.895 1.710 18518 2710 1 5 . 1 1 5 5 LYS CA C 5 56.134 56.134 55.215 0.919 18518 2711 1 5 . 1 1 5 5 LYS CB C 5 34.813 34.813 32.585 2.228 18518 2712 1 5 . 1 1 5 5 LYS H H 5 8.133 8.133 8.195 -0.062 18518 2713 1 5 . 1 1 6 6 THR N N 6 114.781 114.781 117.735 -2.954 18518 2714 1 5 . 1 1 6 6 THR HA H 6 4.421 4.421 4.460 -0.039 18518 2715 1 5 . 1 1 6 6 THR C C 6 175.524 175.524 175.624 -0.100 18518 2716 1 5 . 1 1 6 6 THR CA C 6 61.127 61.127 60.488 0.639 18518 2717 1 5 . 1 1 6 6 THR CB C 6 69.926 69.926 70.827 -0.901 18518 2718 1 5 . 1 1 6 6 THR H H 6 8.483 8.483 8.106 0.377 18518 2719 1 5 . 1 1 7 7 PHE N N 7 125.552 125.552 120.702 4.850 18518 2720 1 5 . 1 1 7 7 PHE HA H 7 4.005 4.005 4.194 -0.189 18518 2721 1 5 . 1 1 7 7 PHE C C 7 177.397 177.397 176.620 0.777 18518 2722 1 5 . 1 1 7 7 PHE CA C 7 63.393 63.393 61.092 2.301 18518 2723 1 5 . 1 1 7 7 PHE CB C 7 39.567 39.567 38.164 1.403 18518 2724 1 5 . 1 1 7 7 PHE H H 7 10.245 10.245 9.114 1.131 18518 2725 1 5 . 1 1 8 8 LYS N N 8 114.053 114.053 118.113 -4.060 18518 2726 1 5 . 1 1 8 8 LYS HA H 8 3.835 3.835 3.716 0.119 18518 2727 1 5 . 1 1 8 8 LYS C C 8 175.520 175.520 178.442 -2.922 18518 2728 1 5 . 1 1 8 8 LYS CA C 8 59.993 59.993 57.911 2.082 18518 2729 1 5 . 1 1 8 8 LYS CB C 8 33.689 33.689 31.203 2.486 18518 2730 1 5 . 1 1 8 8 LYS H H 8 8.775 8.775 6.783 1.992 18518 2731 1 5 . 1 1 9 9 GLN N N 9 113.516 113.516 118.143 -4.627 18518 2732 1 5 . 1 1 9 9 GLN HA H 9 4.149 4.149 4.142 0.007 18518 2733 1 5 . 1 1 9 9 GLN C C 9 177.615 177.615 177.747 -0.132 18518 2734 1 5 . 1 1 9 9 GLN CA C 9 56.819 56.819 58.313 -1.494 18518 2735 1 5 . 1 1 9 9 GLN CB C 9 30.019 30.019 29.132 0.887 18518 2736 1 5 . 1 1 9 9 GLN H H 9 7.355 7.355 7.521 -0.166 18518 2737 1 5 . 1 1 10 10 ARG N N 10 118.294 118.294 116.087 2.207 18518 2738 1 5 . 1 1 10 10 ARG HA H 10 4.302 4.302 4.236 0.066 18518 2739 1 5 . 1 1 10 10 ARG C C 10 179.380 179.380 176.751 2.629 18518 2740 1 5 . 1 1 10 10 ARG CA C 10 57.268 57.268 57.214 0.054 18518 2741 1 5 . 1 1 10 10 ARG CB C 10 31.642 31.642 30.750 0.891 18518 2742 1 5 . 1 1 10 10 ARG H H 10 7.936 7.936 7.701 0.235 18518 2743 1 5 . 1 1 11 11 ARG N N 11 121.137 121.137 120.101 1.036 18518 2744 1 5 . 1 1 11 11 ARG HA H 11 4.680 4.680 4.606 0.074 18518 2745 1 5 . 1 1 11 11 ARG CA C 11 53.453 53.453 54.382 -0.929 18518 2746 1 5 . 1 1 11 11 ARG CB C 11 32.938 32.938 32.937 0.001 18518 2747 1 5 . 1 1 11 11 ARG H H 11 7.390 7.390 7.719 -0.329 18518 2748 1 5 . 1 1 12 12 THR N N 12 116.819 116.819 118.194 -1.375 18518 2749 1 5 . 1 1 12 12 THR HA H 12 4.359 4.359 4.286 0.073 18518 2750 1 5 . 1 1 12 12 THR C C 12 174.989 174.989 176.057 -1.068 18518 2751 1 5 . 1 1 12 12 THR CA C 12 61.748 61.748 63.153 -1.405 18518 2752 1 5 . 1 1 12 12 THR CB C 12 71.068 71.068 70.140 0.928 18518 2753 1 5 . 1 1 12 12 THR H H 12 8.953 8.953 8.355 0.598 18518 2754 1 5 . 1 1 13 13 PHE N N 13 123.200 123.200 122.629 0.571 18518 2755 1 5 . 1 1 13 13 PHE HA H 13 4.028 4.028 4.237 -0.209 18518 2756 1 5 . 1 1 13 13 PHE C C 13 176.029 176.029 176.940 -0.911 18518 2757 1 5 . 1 1 13 13 PHE CA C 13 62.864 62.864 62.561 0.303 18518 2758 1 5 . 1 1 13 13 PHE CB C 13 39.560 39.560 39.225 0.335 18518 2759 1 5 . 1 1 13 13 PHE H H 13 9.284 9.284 9.008 0.276 18518 2760 1 5 . 1 1 14 14 GLU N N 14 115.414 115.414 117.992 -2.578 18518 2761 1 5 . 1 1 14 14 GLU HA H 14 3.794 3.794 3.864 -0.070 18518 2762 1 5 . 1 1 14 14 GLU C C 14 180.081 180.081 179.128 0.953 18518 2763 1 5 . 1 1 14 14 GLU CA C 14 60.619 60.619 59.989 0.630 18518 2764 1 5 . 1 1 14 14 GLU CB C 14 28.852 28.852 28.527 0.325 18518 2765 1 5 . 1 1 14 14 GLU H H 14 8.973 8.973 8.831 0.142 18518 2766 1 5 . 1 1 15 15 GLN N N 15 119.276 119.276 118.730 0.546 18518 2767 1 5 . 1 1 15 15 GLN HA H 15 4.000 4.000 4.111 -0.111 18518 2768 1 5 . 1 1 15 15 GLN C C 15 177.978 177.978 178.610 -0.632 18518 2769 1 5 . 1 1 15 15 GLN CA C 15 58.835 58.835 58.781 0.054 18518 2770 1 5 . 1 1 15 15 GLN CB C 15 29.370 29.370 28.256 1.115 18518 2771 1 5 . 1 1 15 15 GLN H H 15 7.756 7.756 8.478 -0.722 18518 2772 1 5 . 1 1 16 16 ARG N N 16 121.336 121.336 120.171 1.165 18518 2773 1 5 . 1 1 16 16 ARG HA H 16 4.270 4.270 4.084 0.186 18518 2774 1 5 . 1 1 16 16 ARG C C 16 177.416 177.416 178.674 -1.258 18518 2775 1 5 . 1 1 16 16 ARG CA C 16 61.375 61.375 59.842 1.533 18518 2776 1 5 . 1 1 16 16 ARG CB C 16 30.605 30.605 30.293 0.312 18518 2777 1 5 . 1 1 16 16 ARG H H 16 8.645 8.645 8.182 0.463 18518 2778 1 5 . 1 1 17 17 VAL N N 17 117.630 117.630 120.029 -2.399 18518 2779 1 5 . 1 1 17 17 VAL HA H 17 3.857 3.857 3.631 0.226 18518 2780 1 5 . 1 1 17 17 VAL C C 17 179.748 179.748 178.399 1.349 18518 2781 1 5 . 1 1 17 17 VAL CA C 17 65.726 65.726 66.642 -0.916 18518 2782 1 5 . 1 1 17 17 VAL CB C 17 32.194 32.194 31.165 1.029 18518 2783 1 5 . 1 1 17 17 VAL H H 17 8.373 8.373 8.267 0.106 18518 2784 1 5 . 1 1 18 18 GLU N N 18 120.864 120.864 119.742 1.122 18518 2785 1 5 . 1 1 18 18 GLU HA H 18 4.302 4.302 3.949 0.353 18518 2786 1 5 . 1 1 18 18 GLU C C 18 177.728 177.728 178.823 -1.095 18518 2787 1 5 . 1 1 18 18 GLU CA C 18 58.486 58.486 59.983 -1.497 18518 2788 1 5 . 1 1 18 18 GLU CB C 18 29.382 29.382 29.237 0.145 18518 2789 1 5 . 1 1 18 18 GLU H H 18 7.368 7.368 7.788 -0.420 18518 2790 1 5 . 1 1 19 19 ASP N N 19 121.425 121.425 119.898 1.527 18518 2791 1 5 . 1 1 19 19 ASP HA H 19 4.434 4.434 4.446 -0.012 18518 2792 1 5 . 1 1 19 19 ASP C C 19 179.978 179.978 178.758 1.220 18518 2793 1 5 . 1 1 19 19 ASP CA C 19 57.422 57.422 57.392 0.030 18518 2794 1 5 . 1 1 19 19 ASP CB C 19 41.287 41.287 40.828 0.459 18518 2795 1 5 . 1 1 19 19 ASP H H 19 8.671 8.671 8.070 0.601 18518 2796 1 5 . 1 1 20 20 VAL N N 20 119.730 119.730 117.880 1.850 18518 2797 1 5 . 1 1 20 20 VAL HA H 20 3.205 3.205 3.593 -0.388 18518 2798 1 5 . 1 1 20 20 VAL C C 20 176.284 176.284 177.938 -1.654 18518 2799 1 5 . 1 1 20 20 VAL CA C 20 66.315 66.315 66.040 0.275 18518 2800 1 5 . 1 1 20 20 VAL CB C 20 31.107 31.107 30.773 0.334 18518 2801 1 5 . 1 1 20 20 VAL H H 20 7.999 7.999 8.346 -0.347 18518 2802 1 5 . 1 1 21 21 ARG N N 21 121.455 121.455 119.911 1.544 18518 2803 1 5 . 1 1 21 21 ARG HA H 21 3.814 3.814 4.047 -0.233 18518 2804 1 5 . 1 1 21 21 ARG C C 21 180.120 180.120 178.751 1.369 18518 2805 1 5 . 1 1 21 21 ARG CA C 21 59.830 59.830 58.700 1.130 18518 2806 1 5 . 1 1 21 21 ARG CB C 21 29.946 29.946 29.225 0.721 18518 2807 1 5 . 1 1 21 21 ARG H H 21 8.098 8.098 8.019 0.079 18518 2808 1 5 . 1 1 22 22 LEU N N 22 117.826 117.826 121.321 -3.495 18518 2809 1 5 . 1 1 22 22 LEU HA H 22 4.049 4.049 4.000 0.049 18518 2810 1 5 . 1 1 22 22 LEU C C 22 180.115 180.115 179.231 0.884 18518 2811 1 5 . 1 1 22 22 LEU CA C 22 57.790 57.790 58.123 -0.333 18518 2812 1 5 . 1 1 22 22 LEU CB C 22 42.142 42.142 41.907 0.235 18518 2813 1 5 . 1 1 22 22 LEU H H 22 8.207 8.207 8.227 -0.020 18518 2814 1 5 . 1 1 23 23 ILE N N 23 121.450 121.450 119.151 2.299 18518 2815 1 5 . 1 1 23 23 ILE HA H 23 4.013 4.013 3.627 0.386 18518 2816 1 5 . 1 1 23 23 ILE C C 23 178.149 178.149 177.672 0.477 18518 2817 1 5 . 1 1 23 23 ILE CA C 23 62.171 62.171 64.951 -2.780 18518 2818 1 5 . 1 1 23 23 ILE CB C 23 38.106 38.106 38.034 0.072 18518 2819 1 5 . 1 1 23 23 ILE H H 23 8.105 8.105 8.382 -0.277 18518 2820 1 5 . 1 1 24 24 ARG N N 24 121.139 121.139 118.632 2.507 18518 2821 1 5 . 1 1 24 24 ARG HA H 24 3.987 3.987 4.219 -0.232 18518 2822 1 5 . 1 1 24 24 ARG C C 24 178.702 178.702 177.967 0.735 18518 2823 1 5 . 1 1 24 24 ARG CA C 24 57.718 57.718 58.525 -0.807 18518 2824 1 5 . 1 1 24 24 ARG CB C 24 28.769 28.769 29.797 -1.028 18518 2825 1 5 . 1 1 24 24 ARG H H 24 8.601 8.601 7.734 0.867 18518 2826 1 5 . 1 1 25 25 GLU N N 25 118.054 118.054 119.025 -0.971 18518 2827 1 5 . 1 1 25 25 GLU HA H 25 4.026 4.026 4.130 -0.104 18518 2828 1 5 . 1 1 25 25 GLU C C 25 178.492 178.492 178.675 -0.183 18518 2829 1 5 . 1 1 25 25 GLU CA C 25 58.780 58.780 58.700 0.080 18518 2830 1 5 . 1 1 25 25 GLU CB C 25 30.001 30.001 29.957 0.044 18518 2831 1 5 . 1 1 25 25 GLU H H 25 7.423 7.423 7.691 -0.268 18518 2832 1 5 . 1 1 26 26 GLN N N 26 116.350 116.350 116.341 0.009 18518 2833 1 5 . 1 1 26 26 GLN HA H 26 3.936 3.936 4.079 -0.143 18518 2834 1 5 . 1 1 26 26 GLN C C 26 176.305 176.305 177.017 -0.712 18518 2835 1 5 . 1 1 26 26 GLN CA C 26 57.503 57.503 57.407 0.096 18518 2836 1 5 . 1 1 26 26 GLN CB C 26 30.207 30.207 29.818 0.389 18518 2837 1 5 . 1 1 26 26 GLN H H 26 7.524 7.524 7.798 -0.274 18518 2838 1 5 . 1 1 27 27 HIS N N 27 116.017 116.017 117.931 -1.914 18518 2839 1 5 . 1 1 27 27 HIS HA H 27 4.930 4.930 5.161 -0.231 18518 2840 1 5 . 1 1 27 27 HIS CA C 27 53.054 53.054 52.631 0.423 18518 2841 1 5 . 1 1 27 27 HIS CB C 27 30.747 30.747 30.166 0.581 18518 2842 1 5 . 1 1 27 27 HIS H H 27 8.284 8.284 8.227 0.057 18518 2843 1 5 . 1 1 28 28 PRO HA H 28 4.581 4.581 4.516 0.065 18518 2844 1 5 . 1 1 28 28 PRO CA C 28 64.919 64.919 64.317 0.602 18518 2845 1 5 . 1 1 28 28 PRO CB C 28 32.455 32.455 31.863 0.592 18518 2846 1 5 . 1 1 29 29 THR N N 29 107.011 107.011 108.121 -1.110 18518 2847 1 5 . 1 1 29 29 THR HA H 29 4.599 4.599 4.736 -0.137 18518 2848 1 5 . 1 1 29 29 THR C C 29 172.884 172.884 173.986 -1.102 18518 2849 1 5 . 1 1 29 29 THR CA C 29 60.810 60.810 60.807 0.003 18518 2850 1 5 . 1 1 29 29 THR CB C 29 68.531 68.531 69.151 -0.620 18518 2851 1 5 . 1 1 29 29 THR H H 29 7.890 7.890 8.273 -0.383 18518 2852 1 5 . 1 1 30 30 LYS N N 30 117.679 117.679 121.842 -4.163 18518 2853 1 5 . 1 1 30 30 LYS HA H 30 4.858 4.858 4.819 0.039 18518 2854 1 5 . 1 1 30 30 LYS C C 30 174.310 174.310 174.668 -0.358 18518 2855 1 5 . 1 1 30 30 LYS CA C 30 53.751 53.751 54.005 -0.254 18518 2856 1 5 . 1 1 30 30 LYS CB C 30 35.804 35.804 35.611 0.193 18518 2857 1 5 . 1 1 30 30 LYS H H 30 7.441 7.441 7.758 -0.317 18518 2858 1 5 . 1 1 31 31 ILE N N 31 122.849 122.849 124.742 -1.893 18518 2859 1 5 . 1 1 31 31 ILE HA H 31 4.105 4.105 4.185 -0.080 18518 2860 1 5 . 1 1 31 31 ILE CA C 31 54.801 54.801 56.557 -1.756 18518 2861 1 5 . 1 1 31 31 ILE CB C 31 38.265 38.265 37.217 1.048 18518 2862 1 5 . 1 1 31 31 ILE H H 31 9.304 9.304 8.924 0.380 18518 2863 1 5 . 1 1 32 32 PRO HA H 32 5.159 5.159 4.988 0.171 18518 2864 1 5 . 1 1 32 32 PRO C C 32 174.164 174.164 176.590 -2.426 18518 2865 1 5 . 1 1 32 32 PRO CA C 32 61.503 61.503 62.197 -0.694 18518 2866 1 5 . 1 1 32 32 PRO CB C 32 31.145 31.145 30.478 0.667 18518 2867 1 5 . 1 1 33 33 VAL N N 33 125.606 125.606 120.103 5.503 18518 2868 1 5 . 1 1 33 33 VAL HA H 33 5.213 5.213 5.431 -0.218 18518 2869 1 5 . 1 1 33 33 VAL C C 33 173.654 173.654 174.096 -0.442 18518 2870 1 5 . 1 1 33 33 VAL CA C 33 60.044 60.044 58.691 1.353 18518 2871 1 5 . 1 1 33 33 VAL CB C 33 35.604 35.604 35.938 -0.334 18518 2872 1 5 . 1 1 33 33 VAL H H 33 9.424 9.424 8.826 0.598 18518 2873 1 5 . 1 1 34 34 ILE N N 34 128.241 128.241 122.993 5.248 18518 2874 1 5 . 1 1 34 34 ILE HA H 34 4.833 4.833 4.779 0.054 18518 2875 1 5 . 1 1 34 34 ILE C C 34 175.605 175.605 175.112 0.493 18518 2876 1 5 . 1 1 34 34 ILE CA C 34 56.765 56.765 57.998 -1.233 18518 2877 1 5 . 1 1 34 34 ILE CB C 34 36.799 36.799 39.056 -2.257 18518 2878 1 5 . 1 1 34 34 ILE H H 34 8.721 8.721 8.847 -0.126 18518 2879 1 5 . 1 1 35 35 ILE N N 35 125.650 125.650 126.932 -1.282 18518 2880 1 5 . 1 1 35 35 ILE HA H 35 4.836 4.836 4.663 0.173 18518 2881 1 5 . 1 1 35 35 ILE C C 35 174.887 174.887 174.232 0.655 18518 2882 1 5 . 1 1 35 35 ILE CA C 35 60.945 60.945 60.254 0.691 18518 2883 1 5 . 1 1 35 35 ILE CB C 35 39.210 39.210 39.950 -0.740 18518 2884 1 5 . 1 1 35 35 ILE H H 35 9.034 9.034 8.993 0.041 18518 2885 1 5 . 1 1 36 36 GLU N N 36 122.657 122.657 126.386 -3.729 18518 2886 1 5 . 1 1 36 36 GLU HA H 36 4.861 4.861 4.857 0.004 18518 2887 1 5 . 1 1 36 36 GLU C C 36 173.848 173.848 174.985 -1.137 18518 2888 1 5 . 1 1 36 36 GLU CA C 36 53.932 53.932 53.855 0.077 18518 2889 1 5 . 1 1 36 36 GLU CB C 36 35.282 35.282 34.488 0.794 18518 2890 1 5 . 1 1 36 36 GLU H H 36 8.303 8.303 8.369 -0.066 18518 2891 1 5 . 1 1 37 37 ARG N N 37 123.228 123.228 127.663 -4.435 18518 2892 1 5 . 1 1 37 37 ARG HA H 37 2.726 2.726 3.355 -0.629 18518 2893 1 5 . 1 1 37 37 ARG C C 37 176.359 176.359 175.946 0.413 18518 2894 1 5 . 1 1 37 37 ARG CA C 37 56.359 56.359 56.517 -0.158 18518 2895 1 5 . 1 1 37 37 ARG CB C 37 31.341 31.341 30.310 1.031 18518 2896 1 5 . 1 1 37 37 ARG H H 37 8.856 8.856 8.760 0.096 18518 2897 1 5 . 1 1 38 38 TYR N N 38 128.981 128.981 128.852 0.129 18518 2898 1 5 . 1 1 38 38 TYR HA H 38 4.352 4.352 4.268 0.084 18518 2899 1 5 . 1 1 38 38 TYR C C 38 177.316 177.316 176.566 0.750 18518 2900 1 5 . 1 1 38 38 TYR CA C 38 57.712 57.712 58.539 -0.827 18518 2901 1 5 . 1 1 38 38 TYR CB C 38 39.472 39.472 40.060 -0.588 18518 2902 1 5 . 1 1 38 38 TYR H H 38 8.628 8.628 8.519 0.109 18518 2903 1 5 . 1 1 39 39 LYS N N 39 130.635 130.635 125.263 5.372 18518 2904 1 5 . 1 1 39 39 LYS HA H 39 3.822 3.822 3.808 0.014 18518 2905 1 5 . 1 1 39 39 LYS CA C 39 58.887 58.887 57.904 0.984 18518 2906 1 5 . 1 1 39 39 LYS CB C 39 31.771 31.771 32.031 -0.260 18518 2907 1 5 . 1 1 39 39 LYS H H 39 8.594 8.594 8.059 0.535 18518 2908 1 5 . 1 1 40 40 GLY C C 40 173.447 173.447 173.948 -0.501 18518 2909 1 5 . 1 1 40 40 GLY CA C 40 44.663 44.663 43.981 0.682 18518 2910 1 5 . 1 1 40 40 GLY H H 40 5.188 5.188 6.494 -1.306 18518 2911 1 5 . 1 1 41 41 GLU N N 41 122.836 122.836 121.232 1.604 18518 2912 1 5 . 1 1 41 41 GLU HA H 41 4.257 4.257 4.274 -0.017 18518 2913 1 5 . 1 1 41 41 GLU C C 41 176.524 176.524 176.310 0.214 18518 2914 1 5 . 1 1 41 41 GLU CA C 41 56.525 56.525 56.485 0.040 18518 2915 1 5 . 1 1 41 41 GLU CB C 41 30.985 30.985 29.753 1.232 18518 2916 1 5 . 1 1 41 41 GLU H H 41 7.380 7.380 7.467 -0.087 18518 2917 1 5 . 1 1 42 42 LYS N N 42 124.040 124.040 125.550 -1.510 18518 2918 1 5 . 1 1 42 42 LYS HA H 42 4.675 4.675 4.452 0.223 18518 2919 1 5 . 1 1 42 42 LYS C C 42 177.538 177.538 177.074 0.464 18518 2920 1 5 . 1 1 42 42 LYS CA C 42 55.840 55.840 56.776 -0.936 18518 2921 1 5 . 1 1 42 42 LYS CB C 42 34.979 34.979 33.141 1.838 18518 2922 1 5 . 1 1 42 42 LYS H H 42 9.034 9.034 8.485 0.549 18518 2923 1 5 . 1 1 43 43 GLN N N 43 119.259 119.259 119.191 0.068 18518 2924 1 5 . 1 1 43 43 GLN HA H 43 4.542 4.542 4.405 0.137 18518 2925 1 5 . 1 1 43 43 GLN C C 43 177.336 177.336 176.334 1.002 18518 2926 1 5 . 1 1 43 43 GLN CA C 43 57.673 57.673 57.107 0.566 18518 2927 1 5 . 1 1 43 43 GLN CB C 43 30.782 30.782 30.052 0.730 18518 2928 1 5 . 1 1 43 43 GLN H H 43 8.435 8.435 8.773 -0.338 18518 2929 1 5 . 1 1 44 44 LEU N N 44 120.760 120.760 122.599 -1.839 18518 2930 1 5 . 1 1 44 44 LEU HA H 44 4.695 4.695 4.591 0.104 18518 2931 1 5 . 1 1 44 44 LEU CA C 44 53.245 53.245 52.744 0.501 18518 2932 1 5 . 1 1 44 44 LEU CB C 44 43.596 43.596 42.658 0.938 18518 2933 1 5 . 1 1 44 44 LEU H H 44 9.126 9.126 8.205 0.921 18518 2934 1 5 . 1 1 45 45 PRO HA H 45 4.717 4.717 4.570 0.147 18518 2935 1 5 . 1 1 45 45 PRO C C 45 175.797 175.797 176.216 -0.419 18518 2936 1 5 . 1 1 45 45 PRO CA C 45 62.111 62.111 62.394 -0.283 18518 2937 1 5 . 1 1 45 45 PRO CB C 45 32.592 32.592 32.368 0.224 18518 2938 1 5 . 1 1 46 46 VAL N N 46 119.052 119.052 120.842 -1.790 18518 2939 1 5 . 1 1 46 46 VAL HA H 46 3.867 3.867 4.430 -0.563 18518 2940 1 5 . 1 1 46 46 VAL C C 46 175.640 175.640 176.406 -0.766 18518 2941 1 5 . 1 1 46 46 VAL CA C 46 62.944 62.944 61.759 1.185 18518 2942 1 5 . 1 1 46 46 VAL CB C 46 32.799 32.799 33.086 -0.287 18518 2943 1 5 . 1 1 46 46 VAL H H 46 8.543 8.543 8.244 0.299 18518 2944 1 5 . 1 1 47 47 LEU N N 47 130.203 130.203 127.098 3.105 18518 2945 1 5 . 1 1 47 47 LEU HA H 47 4.309 4.309 4.472 -0.163 18518 2946 1 5 . 1 1 47 47 LEU C C 47 176.198 176.198 177.499 -1.301 18518 2947 1 5 . 1 1 47 47 LEU CA C 47 55.006 55.006 54.851 0.155 18518 2948 1 5 . 1 1 47 47 LEU CB C 47 43.832 43.832 42.826 1.006 18518 2949 1 5 . 1 1 47 47 LEU H H 47 7.799 7.799 8.484 -0.685 18518 2950 1 5 . 1 1 48 48 ASP N N 48 122.403 122.403 120.125 2.278 18518 2951 1 5 . 1 1 48 48 ASP HA H 48 4.263 4.263 4.508 -0.245 18518 2952 1 5 . 1 1 48 48 ASP C C 48 175.294 175.294 176.057 -0.763 18518 2953 1 5 . 1 1 48 48 ASP CA C 48 55.832 55.832 55.749 0.083 18518 2954 1 5 . 1 1 48 48 ASP CB C 48 40.184 40.184 41.446 -1.262 18518 2955 1 5 . 1 1 48 48 ASP H H 48 8.780 8.780 8.532 0.248 18518 2956 1 5 . 1 1 49 49 LYS N N 49 119.569 119.569 115.989 3.580 18518 2957 1 5 . 1 1 49 49 LYS HA H 49 4.585 4.585 4.498 0.087 18518 2958 1 5 . 1 1 49 49 LYS C C 49 174.678 174.678 174.837 -0.159 18518 2959 1 5 . 1 1 49 49 LYS CA C 49 53.652 53.652 55.415 -1.763 18518 2960 1 5 . 1 1 49 49 LYS CB C 49 35.945 35.945 33.908 2.037 18518 2961 1 5 . 1 1 49 49 LYS H H 49 7.280 7.280 7.544 -0.264 18518 2962 1 5 . 1 1 50 50 THR N N 50 110.862 110.862 112.642 -1.780 18518 2963 1 5 . 1 1 50 50 THR HA H 50 4.811 4.811 4.844 -0.033 18518 2964 1 5 . 1 1 50 50 THR C C 50 172.425 172.425 174.050 -1.625 18518 2965 1 5 . 1 1 50 50 THR CA C 50 62.645 62.645 62.005 0.640 18518 2966 1 5 . 1 1 50 50 THR CB C 50 71.648 71.648 70.288 1.360 18518 2967 1 5 . 1 1 50 50 THR H H 50 8.042 8.042 8.225 -0.183 18518 2968 1 5 . 1 1 51 51 LYS N N 51 120.008 120.008 123.268 -3.260 18518 2969 1 5 . 1 1 51 51 LYS HA H 51 4.625 4.625 4.562 0.063 18518 2970 1 5 . 1 1 51 51 LYS C C 51 175.082 175.082 175.381 -0.299 18518 2971 1 5 . 1 1 51 51 LYS CA C 51 54.704 54.704 56.265 -1.561 18518 2972 1 5 . 1 1 51 51 LYS CB C 51 32.376 32.376 33.027 -0.651 18518 2973 1 5 . 1 1 51 51 LYS H H 51 7.119 7.119 7.589 -0.470 18518 2974 1 5 . 1 1 52 52 PHE N N 52 122.640 122.640 122.757 -0.117 18518 2975 1 5 . 1 1 52 52 PHE HA H 52 5.337 5.337 4.804 0.533 18518 2976 1 5 . 1 1 52 52 PHE C C 52 174.213 174.213 174.512 -0.299 18518 2977 1 5 . 1 1 52 52 PHE CA C 52 56.611 56.611 56.506 0.105 18518 2978 1 5 . 1 1 52 52 PHE CB C 52 43.140 43.140 43.211 -0.071 18518 2979 1 5 . 1 1 52 52 PHE H H 52 9.709 9.709 9.235 0.474 18518 2980 1 5 . 1 1 53 53 LEU N N 53 122.157 122.157 122.781 -0.624 18518 2981 1 5 . 1 1 53 53 LEU HA H 53 4.947 4.947 5.024 -0.077 18518 2982 1 5 . 1 1 53 53 LEU C C 53 175.769 175.769 175.660 0.109 18518 2983 1 5 . 1 1 53 53 LEU CA C 53 52.957 52.957 53.722 -0.765 18518 2984 1 5 . 1 1 53 53 LEU CB C 53 44.415 44.415 43.822 0.593 18518 2985 1 5 . 1 1 53 53 LEU H H 53 8.959 8.959 8.401 0.558 18518 2986 1 5 . 1 1 54 54 VAL N N 54 124.919 124.919 124.943 -0.024 18518 2987 1 5 . 1 1 54 54 VAL HA H 54 4.559 4.559 4.580 -0.021 18518 2988 1 5 . 1 1 54 54 VAL CA C 54 59.130 59.130 58.237 0.893 18518 2989 1 5 . 1 1 54 54 VAL CB C 54 34.968 34.968 33.144 1.824 18518 2990 1 5 . 1 1 54 54 VAL H H 54 8.922 8.922 8.511 0.411 18518 2991 1 5 . 1 1 55 55 PRO HA H 55 4.441 4.441 4.741 -0.300 18518 2992 1 5 . 1 1 55 55 PRO C C 55 176.594 176.594 178.088 -1.494 18518 2993 1 5 . 1 1 55 55 PRO CA C 55 64.315 64.315 62.146 2.169 18518 2994 1 5 . 1 1 55 55 PRO CB C 55 32.665 32.665 32.066 0.600 18518 2995 1 5 . 1 1 56 56 ASP N N 56 120.522 120.522 121.577 -1.055 18518 2996 1 5 . 1 1 56 56 ASP HA H 56 3.862 3.862 4.186 -0.324 18518 2997 1 5 . 1 1 56 56 ASP C C 56 175.809 175.809 177.401 -1.592 18518 2998 1 5 . 1 1 56 56 ASP CA C 56 56.749 56.749 57.166 -0.417 18518 2999 1 5 . 1 1 56 56 ASP CB C 56 40.510 40.510 40.272 0.238 18518 3000 1 5 . 1 1 56 56 ASP H H 56 8.347 8.347 8.353 -0.006 18518 3001 1 5 . 1 1 57 57 HIS N N 57 113.482 113.482 115.160 -1.678 18518 3002 1 5 . 1 1 57 57 HIS HA H 57 4.720 4.720 4.515 0.205 18518 3003 1 5 . 1 1 57 57 HIS C C 57 176.507 176.507 175.221 1.286 18518 3004 1 5 . 1 1 57 57 HIS CA C 57 55.589 55.589 56.194 -0.605 18518 3005 1 5 . 1 1 57 57 HIS CB C 57 30.643 30.643 29.674 0.970 18518 3006 1 5 . 1 1 57 57 HIS H H 57 7.557 7.557 8.122 -0.565 18518 3007 1 5 . 1 1 58 58 VAL N N 58 123.279 123.279 116.899 6.380 18518 3008 1 5 . 1 1 58 58 VAL HA H 58 3.836 3.836 4.363 -0.527 18518 3009 1 5 . 1 1 58 58 VAL C C 58 175.019 175.019 174.853 0.166 18518 3010 1 5 . 1 1 58 58 VAL CA C 58 62.823 62.823 60.849 1.974 18518 3011 1 5 . 1 1 58 58 VAL CB C 58 32.310 32.310 33.707 -1.397 18518 3012 1 5 . 1 1 58 58 VAL H H 58 7.345 7.345 7.284 0.061 18518 3013 1 5 . 1 1 59 59 ASN N N 59 123.781 123.781 119.017 4.764 18518 3014 1 5 . 1 1 59 59 ASN HA H 59 5.126 5.126 5.057 0.069 18518 3015 1 5 . 1 1 59 59 ASN C C 59 176.558 176.558 176.266 0.292 18518 3016 1 5 . 1 1 59 59 ASN CA C 59 51.485 51.485 51.293 0.192 18518 3017 1 5 . 1 1 59 59 ASN CB C 59 40.107 40.107 41.071 -0.964 18518 3018 1 5 . 1 1 59 59 ASN H H 59 8.735 8.735 8.216 0.519 18518 3019 1 5 . 1 1 60 60 MET N N 60 117.453 117.453 118.758 -1.305 18518 3020 1 5 . 1 1 60 60 MET HA H 60 4.395 4.395 4.035 0.360 18518 3021 1 5 . 1 1 60 60 MET C C 60 178.144 178.144 178.069 0.075 18518 3022 1 5 . 1 1 60 60 MET CA C 60 57.097 57.097 59.958 -2.861 18518 3023 1 5 . 1 1 60 60 MET CB C 60 30.140 30.140 32.256 -2.116 18518 3024 1 5 . 1 1 60 60 MET H H 60 8.227 8.227 8.336 -0.109 18518 3025 1 5 . 1 1 61 61 SER N N 61 114.216 114.216 115.082 -0.866 18518 3026 1 5 . 1 1 61 61 SER HA H 61 4.111 4.111 4.091 0.020 18518 3027 1 5 . 1 1 61 61 SER C C 61 177.335 177.335 176.977 0.358 18518 3028 1 5 . 1 1 61 61 SER CA C 61 61.590 61.590 62.392 -0.801 18518 3029 1 5 . 1 1 61 61 SER CB C 61 62.402 62.402 62.742 -0.340 18518 3030 1 5 . 1 1 61 61 SER H H 61 8.464 8.464 8.547 -0.083 18518 3031 1 5 . 1 1 62 62 GLU N N 62 123.004 123.004 121.088 1.916 18518 3032 1 5 . 1 1 62 62 GLU HA H 62 4.047 4.047 4.123 -0.076 18518 3033 1 5 . 1 1 62 62 GLU C C 62 178.686 178.686 178.810 -0.124 18518 3034 1 5 . 1 1 62 62 GLU CA C 62 58.625 58.625 58.862 -0.237 18518 3035 1 5 . 1 1 62 62 GLU CB C 62 29.654 29.654 29.339 0.315 18518 3036 1 5 . 1 1 62 62 GLU H H 62 7.994 7.994 7.676 0.318 18518 3037 1 5 . 1 1 63 63 LEU N N 63 120.818 120.818 121.837 -1.019 18518 3038 1 5 . 1 1 63 63 LEU HA H 63 3.965 3.965 4.012 -0.047 18518 3039 1 5 . 1 1 63 63 LEU C C 63 178.046 178.046 178.934 -0.888 18518 3040 1 5 . 1 1 63 63 LEU CA C 63 57.920 57.920 58.057 -0.138 18518 3041 1 5 . 1 1 63 63 LEU CB C 63 41.624 41.624 41.381 0.243 18518 3042 1 5 . 1 1 63 63 LEU H H 63 8.130 8.130 7.791 0.339 18518 3043 1 5 . 1 1 64 64 ILE N N 64 118.528 118.528 118.907 -0.379 18518 3044 1 5 . 1 1 64 64 ILE HA H 64 3.369 3.369 3.604 -0.235 18518 3045 1 5 . 1 1 64 64 ILE C C 64 177.127 177.127 177.845 -0.718 18518 3046 1 5 . 1 1 64 64 ILE CA C 64 66.678 66.678 65.851 0.827 18518 3047 1 5 . 1 1 64 64 ILE CB C 64 38.444 38.444 37.556 0.888 18518 3048 1 5 . 1 1 64 64 ILE H H 64 8.488 8.488 8.643 -0.155 18518 3049 1 5 . 1 1 65 65 LYS N N 65 118.336 118.336 120.930 -2.594 18518 3050 1 5 . 1 1 65 65 LYS HA H 65 3.701 3.701 4.003 -0.302 18518 3051 1 5 . 1 1 65 65 LYS C C 65 179.291 179.291 179.174 0.117 18518 3052 1 5 . 1 1 65 65 LYS CA C 65 60.440 60.440 59.736 0.704 18518 3053 1 5 . 1 1 65 65 LYS CB C 65 32.371 32.371 32.290 0.081 18518 3054 1 5 . 1 1 65 65 LYS H H 65 7.347 7.347 7.794 -0.447 18518 3055 1 5 . 1 1 66 66 ILE N N 66 120.171 120.171 120.295 -0.124 18518 3056 1 5 . 1 1 66 66 ILE HA H 66 3.578 3.578 3.698 -0.120 18518 3057 1 5 . 1 1 66 66 ILE C C 66 178.873 178.873 178.255 0.618 18518 3058 1 5 . 1 1 66 66 ILE CA C 66 65.160 65.160 65.440 -0.280 18518 3059 1 5 . 1 1 66 66 ILE CB C 66 38.633 38.633 37.864 0.769 18518 3060 1 5 . 1 1 66 66 ILE H H 66 7.901 7.901 8.443 -0.542 18518 3061 1 5 . 1 1 67 67 ILE N N 67 121.185 121.185 120.545 0.640 18518 3062 1 5 . 1 1 67 67 ILE HA H 67 3.446 3.446 3.562 -0.116 18518 3063 1 5 . 1 1 67 67 ILE C C 67 177.150 177.150 177.874 -0.724 18518 3064 1 5 . 1 1 67 67 ILE CA C 67 62.806 62.806 64.089 -1.283 18518 3065 1 5 . 1 1 67 67 ILE CB C 67 34.995 34.995 37.051 -2.057 18518 3066 1 5 . 1 1 67 67 ILE H H 67 8.290 8.290 8.007 0.283 18518 3067 1 5 . 1 1 68 68 ARG N N 68 119.173 119.173 118.719 0.454 18518 3068 1 5 . 1 1 68 68 ARG HA H 68 2.931 2.931 3.744 -0.813 18518 3069 1 5 . 1 1 68 68 ARG C C 68 178.496 178.496 178.686 -0.190 18518 3070 1 5 . 1 1 68 68 ARG CA C 68 60.636 60.636 59.546 1.090 18518 3071 1 5 . 1 1 68 68 ARG CB C 68 30.440 30.440 29.866 0.574 18518 3072 1 5 . 1 1 68 68 ARG H H 68 8.438 8.438 8.269 0.169 18518 3073 1 5 . 1 1 69 69 ARG N N 69 116.511 116.511 120.149 -3.638 18518 3074 1 5 . 1 1 69 69 ARG HA H 69 4.134 4.134 3.974 0.160 18518 3075 1 5 . 1 1 69 69 ARG C C 69 180.262 180.262 178.385 1.877 18518 3076 1 5 . 1 1 69 69 ARG CA C 69 58.707 58.707 59.235 -0.528 18518 3077 1 5 . 1 1 69 69 ARG CB C 69 29.953 29.953 30.214 -0.261 18518 3078 1 5 . 1 1 69 69 ARG H H 69 7.497 7.497 8.223 -0.726 18518 3079 1 5 . 1 1 70 70 ARG N N 70 123.297 123.297 117.179 6.118 18518 3080 1 5 . 1 1 70 70 ARG HA H 70 4.016 4.016 4.146 -0.130 18518 3081 1 5 . 1 1 70 70 ARG C C 70 178.700 178.700 178.236 0.464 18518 3082 1 5 . 1 1 70 70 ARG CA C 70 59.460 59.460 58.233 1.227 18518 3083 1 5 . 1 1 70 70 ARG CB C 70 30.312 30.312 30.011 0.301 18518 3084 1 5 . 1 1 70 70 ARG H H 70 8.075 8.075 7.808 0.267 18518 3085 1 5 . 1 1 71 71 LEU N N 71 116.829 116.829 120.094 -3.265 18518 3086 1 5 . 1 1 71 71 LEU HA H 71 4.065 4.065 4.128 -0.063 18518 3087 1 5 . 1 1 71 71 LEU C C 71 174.956 174.956 176.302 -1.346 18518 3088 1 5 . 1 1 71 71 LEU CA C 71 55.126 55.126 55.568 -0.442 18518 3089 1 5 . 1 1 71 71 LEU CB C 71 43.246 43.246 42.461 0.785 18518 3090 1 5 . 1 1 71 71 LEU H H 71 7.719 7.719 7.962 -0.243 18518 3091 1 5 . 1 1 72 72 GLN N N 72 114.991 114.991 113.654 1.337 18518 3092 1 5 . 1 1 72 72 GLN HA H 72 3.836 3.836 3.888 -0.052 18518 3093 1 5 . 1 1 72 72 GLN C C 72 175.683 175.683 175.395 0.288 18518 3094 1 5 . 1 1 72 72 GLN CA C 72 56.325 56.325 56.250 0.075 18518 3095 1 5 . 1 1 72 72 GLN CB C 72 26.004 26.004 25.582 0.422 18518 3096 1 5 . 1 1 72 72 GLN H H 72 7.744 7.744 7.795 -0.051 18518 3097 1 5 . 1 1 73 73 LEU N N 73 115.045 115.045 116.528 -1.483 18518 3098 1 5 . 1 1 73 73 LEU HA H 73 4.236 4.236 4.151 0.085 18518 3099 1 5 . 1 1 73 73 LEU C C 73 178.762 178.762 176.994 1.768 18518 3100 1 5 . 1 1 73 73 LEU CA C 73 54.386 54.386 55.468 -1.083 18518 3101 1 5 . 1 1 73 73 LEU CB C 73 42.091 42.091 42.495 -0.404 18518 3102 1 5 . 1 1 73 73 LEU H H 73 7.500 7.500 7.327 0.173 18518 3103 1 5 . 1 1 74 74 ASN N N 74 121.700 121.700 119.280 2.420 18518 3104 1 5 . 1 1 74 74 ASN HA H 74 4.690 4.690 4.685 0.005 18518 3105 1 5 . 1 1 74 74 ASN C C 74 176.617 176.617 175.269 1.348 18518 3106 1 5 . 1 1 74 74 ASN CA C 74 52.685 52.685 52.931 -0.246 18518 3107 1 5 . 1 1 74 74 ASN CB C 74 39.598 39.598 40.095 -0.497 18518 3108 1 5 . 1 1 74 74 ASN H H 74 9.045 9.045 8.418 0.627 18518 3109 1 5 . 1 1 75 75 ALA N N 75 123.952 123.952 122.022 1.930 18518 3110 1 5 . 1 1 75 75 ALA HA H 75 3.964 3.964 4.365 -0.401 18518 3111 1 5 . 1 1 75 75 ALA C C 75 178.131 178.131 177.250 0.881 18518 3112 1 5 . 1 1 75 75 ALA CA C 75 54.868 54.868 53.701 1.167 18518 3113 1 5 . 1 1 75 75 ALA CB C 75 18.718 18.718 19.496 -0.778 18518 3114 1 5 . 1 1 75 75 ALA H H 75 8.784 8.784 8.474 0.310 18518 3115 1 5 . 1 1 76 76 ASN N N 76 112.295 112.295 116.464 -4.169 18518 3116 1 5 . 1 1 76 76 ASN HA H 76 4.580 4.580 4.617 -0.037 18518 3117 1 5 . 1 1 76 76 ASN C C 76 175.448 175.448 175.570 -0.122 18518 3118 1 5 . 1 1 76 76 ASN CA C 76 53.214 53.214 53.627 -0.413 18518 3119 1 5 . 1 1 76 76 ASN CB C 76 38.320 38.320 38.345 -0.025 18518 3120 1 5 . 1 1 76 76 ASN H H 76 8.391 8.391 8.409 -0.018 18518 3121 1 5 . 1 1 77 77 GLN N N 77 120.577 120.577 118.115 2.462 18518 3122 1 5 . 1 1 77 77 GLN HA H 77 4.273 4.273 4.653 -0.380 18518 3123 1 5 . 1 1 77 77 GLN C C 77 175.045 175.045 173.871 1.174 18518 3124 1 5 . 1 1 77 77 GLN CA C 77 55.805 55.805 54.974 0.831 18518 3125 1 5 . 1 1 77 77 GLN CB C 77 30.157 30.157 30.616 -0.459 18518 3126 1 5 . 1 1 77 77 GLN H H 77 7.552 7.552 7.546 0.006 18518 3127 1 5 . 1 1 78 78 ALA N N 78 130.670 130.670 122.844 7.826 18518 3128 1 5 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.611 -0.440 18518 3129 1 5 . 1 1 78 78 ALA C C 78 176.512 176.512 174.995 1.517 18518 3130 1 5 . 1 1 78 78 ALA CA C 78 52.842 52.842 51.154 1.688 18518 3131 1 5 . 1 1 78 78 ALA CB C 78 20.060 20.060 21.629 -1.569 18518 3132 1 5 . 1 1 78 78 ALA H H 78 8.799 8.799 8.747 0.052 18518 3133 1 5 . 1 1 79 79 PHE N N 79 119.325 119.325 118.725 0.600 18518 3134 1 5 . 1 1 79 79 PHE HA H 79 4.434 4.434 5.278 -0.844 18518 3135 1 5 . 1 1 79 79 PHE C C 79 171.726 171.726 172.264 -0.538 18518 3136 1 5 . 1 1 79 79 PHE CA C 79 59.145 59.145 56.247 2.898 18518 3137 1 5 . 1 1 79 79 PHE CB C 79 42.171 42.171 42.694 -0.523 18518 3138 1 5 . 1 1 79 79 PHE H H 79 7.664 7.664 7.904 -0.240 18518 3139 1 5 . 1 1 80 80 PHE N N 80 126.314 126.314 118.689 7.625 18518 3140 1 5 . 1 1 80 80 PHE HA H 80 4.392 4.392 4.445 -0.053 18518 3141 1 5 . 1 1 80 80 PHE C C 80 177.169 177.169 173.408 3.761 18518 3142 1 5 . 1 1 80 80 PHE CA C 80 56.653 56.653 55.751 0.902 18518 3143 1 5 . 1 1 80 80 PHE CB C 80 41.933 41.933 42.663 -0.731 18518 3144 1 5 . 1 1 80 80 PHE H H 80 8.508 8.508 8.715 -0.207 18518 3145 1 5 . 1 1 81 81 LEU N N 81 121.426 121.426 122.643 -1.217 18518 3146 1 5 . 1 1 81 81 LEU HA H 81 4.851 4.851 5.168 -0.317 18518 3147 1 5 . 1 1 81 81 LEU C C 81 174.488 174.488 174.973 -0.485 18518 3148 1 5 . 1 1 81 81 LEU CA C 81 53.197 53.197 53.727 -0.530 18518 3149 1 5 . 1 1 81 81 LEU CB C 81 45.100 45.100 44.197 0.902 18518 3150 1 5 . 1 1 81 81 LEU H H 81 8.229 8.229 8.498 -0.269 18518 3151 1 5 . 1 1 82 82 LEU N N 82 125.155 125.155 127.358 -2.203 18518 3152 1 5 . 1 1 82 82 LEU HA H 82 4.833 4.833 4.506 0.327 18518 3153 1 5 . 1 1 82 82 LEU C C 82 177.166 177.166 175.570 1.596 18518 3154 1 5 . 1 1 82 82 LEU CA C 82 54.197 54.197 53.959 0.237 18518 3155 1 5 . 1 1 82 82 LEU CB C 82 43.442 43.442 44.250 -0.808 18518 3156 1 5 . 1 1 82 82 LEU H H 82 9.400 9.400 9.274 0.126 18518 3157 1 5 . 1 1 83 83 VAL N N 83 123.886 123.886 122.361 1.525 18518 3158 1 5 . 1 1 83 83 VAL HA H 83 4.379 4.379 4.494 -0.115 18518 3159 1 5 . 1 1 83 83 VAL C C 83 175.810 175.810 176.280 -0.470 18518 3160 1 5 . 1 1 83 83 VAL CA C 83 61.677 61.677 61.959 -0.282 18518 3161 1 5 . 1 1 83 83 VAL CB C 83 33.758 33.758 32.440 1.318 18518 3162 1 5 . 1 1 83 83 VAL H H 83 8.721 8.721 8.476 0.245 18518 3163 1 5 . 1 1 84 84 ASN N N 84 126.474 126.474 128.091 -1.617 18518 3164 1 5 . 1 1 84 84 ASN HA H 84 4.396 4.396 4.488 -0.092 18518 3165 1 5 . 1 1 84 84 ASN C C 84 175.164 175.164 174.861 0.303 18518 3166 1 5 . 1 1 84 84 ASN CA C 84 54.738 54.738 54.500 0.238 18518 3167 1 5 . 1 1 84 84 ASN CB C 84 37.950 37.950 37.201 0.749 18518 3168 1 5 . 1 1 84 84 ASN H H 84 9.707 9.707 9.575 0.132 18518 3169 1 5 . 1 1 85 85 GLY N N 85 101.296 101.296 103.833 -2.537 18518 3170 1 5 . 1 1 85 85 GLY C C 85 173.680 173.680 173.172 0.508 18518 3171 1 5 . 1 1 85 85 GLY CA C 85 45.603 45.603 44.740 0.863 18518 3172 1 5 . 1 1 85 85 GLY H H 85 8.644 8.644 8.263 0.381 18518 3173 1 5 . 1 1 86 86 HIS N N 86 117.238 117.238 118.900 -1.662 18518 3174 1 5 . 1 1 86 86 HIS HA H 86 5.017 5.017 4.615 0.402 18518 3175 1 5 . 1 1 86 86 HIS C C 86 173.841 173.841 174.072 -0.231 18518 3176 1 5 . 1 1 86 86 HIS CA C 86 53.796 53.796 53.951 -0.155 18518 3177 1 5 . 1 1 86 86 HIS CB C 86 31.280 31.280 31.262 0.018 18518 3178 1 5 . 1 1 86 86 HIS H H 86 7.918 7.918 8.058 -0.140 18518 3179 1 5 . 1 1 87 87 SER N N 87 118.179 118.179 120.369 -2.190 18518 3180 1 5 . 1 1 87 87 SER HA H 87 4.699 4.699 4.389 0.310 18518 3181 1 5 . 1 1 87 87 SER C C 87 175.904 175.904 174.742 1.162 18518 3182 1 5 . 1 1 87 87 SER CA C 87 58.271 58.271 58.335 -0.064 18518 3183 1 5 . 1 1 87 87 SER CB C 87 63.735 63.735 61.831 1.904 18518 3184 1 5 . 1 1 87 87 SER H H 87 8.977 8.977 8.802 0.175 18518 3185 1 5 . 1 1 88 88 MET N N 88 125.472 125.472 122.019 3.453 18518 3186 1 5 . 1 1 88 88 MET HA H 88 4.830 4.830 4.723 0.107 18518 3187 1 5 . 1 1 88 88 MET C C 88 176.419 176.419 175.972 0.447 18518 3188 1 5 . 1 1 88 88 MET CA C 88 54.899 54.899 55.550 -0.652 18518 3189 1 5 . 1 1 88 88 MET CB C 88 33.336 33.336 33.825 -0.489 18518 3190 1 5 . 1 1 88 88 MET H H 88 9.184 9.184 7.922 1.262 18518 3191 1 5 . 1 1 89 89 VAL N N 89 120.747 120.747 121.266 -0.519 18518 3192 1 5 . 1 1 89 89 VAL HA H 89 4.232 4.232 4.120 0.112 18518 3193 1 5 . 1 1 89 89 VAL C C 89 175.958 175.958 175.519 0.439 18518 3194 1 5 . 1 1 89 89 VAL CA C 89 63.154 63.154 61.965 1.189 18518 3195 1 5 . 1 1 89 89 VAL CB C 89 31.878 31.878 32.282 -0.404 18518 3196 1 5 . 1 1 89 89 VAL H H 89 8.233 8.233 7.519 0.714 18518 3197 1 5 . 1 1 90 90 SER N N 90 117.362 117.362 116.581 0.781 18518 3198 1 5 . 1 1 90 90 SER HA H 90 4.590 4.590 4.760 -0.170 18518 3199 1 5 . 1 1 90 90 SER C C 90 175.741 175.741 176.067 -0.326 18518 3200 1 5 . 1 1 90 90 SER CA C 90 57.717 57.717 56.371 1.346 18518 3201 1 5 . 1 1 90 90 SER CB C 90 63.223 63.223 64.537 -1.314 18518 3202 1 5 . 1 1 90 90 SER H H 90 8.482 8.482 8.028 0.454 18518 3203 1 5 . 1 1 91 91 VAL N N 91 120.466 120.466 119.644 0.822 18518 3204 1 5 . 1 1 91 91 VAL HA H 91 4.047 4.047 3.917 0.130 18518 3205 1 5 . 1 1 91 91 VAL C C 91 176.329 176.329 175.964 0.365 18518 3206 1 5 . 1 1 91 91 VAL CA C 91 63.492 63.492 64.088 -0.596 18518 3207 1 5 . 1 1 91 91 VAL CB C 91 32.568 32.568 31.488 1.080 18518 3208 1 5 . 1 1 91 91 VAL H H 91 8.188 8.188 8.879 -0.691 18518 3209 1 5 . 1 1 92 92 SER N N 92 116.398 116.398 115.135 1.263 18518 3210 1 5 . 1 1 92 92 SER HA H 92 4.636 4.636 4.545 0.091 18518 3211 1 5 . 1 1 92 92 SER C C 92 174.159 174.159 174.709 -0.550 18518 3212 1 5 . 1 1 92 92 SER CA C 92 57.805 57.805 58.343 -0.538 18518 3213 1 5 . 1 1 92 92 SER CB C 92 63.046 63.046 63.749 -0.703 18518 3214 1 5 . 1 1 92 92 SER H H 92 8.370 8.370 7.707 0.663 18518 3215 1 5 . 1 1 93 93 THR N N 93 119.211 119.211 120.669 -1.458 18518 3216 1 5 . 1 1 93 93 THR HA H 93 4.484 4.484 4.667 -0.183 18518 3217 1 5 . 1 1 93 93 THR CA C 93 60.884 60.884 60.795 0.089 18518 3218 1 5 . 1 1 93 93 THR CB C 93 70.609 70.609 68.904 1.705 18518 3219 1 5 . 1 1 93 93 THR H H 93 7.416 7.416 7.550 -0.134 18518 3220 1 5 . 1 1 94 94 PRO HA H 94 4.440 4.440 4.642 -0.202 18518 3221 1 5 . 1 1 94 94 PRO C C 94 178.775 178.775 177.222 1.553 18518 3222 1 5 . 1 1 94 94 PRO CA C 94 62.943 62.943 62.475 0.468 18518 3223 1 5 . 1 1 94 94 PRO CB C 94 32.649 32.649 32.467 0.182 18518 3224 1 5 . 1 1 95 95 ILE N N 95 124.174 124.174 123.125 1.049 18518 3225 1 5 . 1 1 95 95 ILE HA H 95 3.949 3.949 3.857 0.092 18518 3226 1 5 . 1 1 95 95 ILE C C 95 176.498 176.498 176.898 -0.400 18518 3227 1 5 . 1 1 95 95 ILE CA C 95 63.904 63.904 62.097 1.807 18518 3228 1 5 . 1 1 95 95 ILE CB C 95 38.182 38.182 38.135 0.047 18518 3229 1 5 . 1 1 95 95 ILE H H 95 9.305 9.305 8.140 1.165 18518 3230 1 5 . 1 1 96 96 SER N N 96 116.920 116.920 116.314 0.606 18518 3231 1 5 . 1 1 96 96 SER HA H 96 4.029 4.029 4.074 -0.045 18518 3232 1 5 . 1 1 96 96 SER C C 96 176.574 176.574 176.454 0.120 18518 3233 1 5 . 1 1 96 96 SER CA C 96 61.356 61.356 62.394 -1.038 18518 3234 1 5 . 1 1 96 96 SER CB C 96 61.723 61.723 62.660 -0.937 18518 3235 1 5 . 1 1 96 96 SER H H 96 8.335 8.335 8.389 -0.054 18518 3236 1 5 . 1 1 97 97 GLU N N 97 123.255 123.255 122.367 0.888 18518 3237 1 5 . 1 1 97 97 GLU HA H 97 4.278 4.278 4.266 0.012 18518 3238 1 5 . 1 1 97 97 GLU C C 97 179.716 179.716 179.117 0.599 18518 3239 1 5 . 1 1 97 97 GLU CA C 97 58.792 58.792 58.842 -0.050 18518 3240 1 5 . 1 1 97 97 GLU CB C 97 29.562 29.562 29.208 0.354 18518 3241 1 5 . 1 1 97 97 GLU H H 97 7.376 7.376 7.759 -0.383 18518 3242 1 5 . 1 1 98 98 VAL N N 98 121.137 121.137 120.616 0.521 18518 3243 1 5 . 1 1 98 98 VAL HA H 98 3.802 3.802 3.697 0.105 18518 3244 1 5 . 1 1 98 98 VAL C C 98 177.637 177.637 178.037 -0.400 18518 3245 1 5 . 1 1 98 98 VAL CA C 98 65.824 65.824 66.393 -0.569 18518 3246 1 5 . 1 1 98 98 VAL CB C 98 32.154 32.154 30.974 1.179 18518 3247 1 5 . 1 1 98 98 VAL H H 98 7.387 7.387 7.914 -0.527 18518 3248 1 5 . 1 1 99 99 TYR N N 99 118.927 118.927 121.450 -2.523 18518 3249 1 5 . 1 1 99 99 TYR HA H 99 3.990 3.990 4.077 -0.087 18518 3250 1 5 . 1 1 99 99 TYR C C 99 176.081 176.081 176.878 -0.797 18518 3251 1 5 . 1 1 99 99 TYR CA C 99 62.223 62.223 61.905 0.318 18518 3252 1 5 . 1 1 99 99 TYR CB C 99 38.982 38.982 38.447 0.535 18518 3253 1 5 . 1 1 99 99 TYR H H 99 9.048 9.048 8.505 0.543 18518 3254 1 5 . 1 1 100 100 GLU N N 100 113.894 113.894 117.111 -3.217 18518 3255 1 5 . 1 1 100 100 GLU HA H 100 3.846 3.846 3.841 0.005 18518 3256 1 5 . 1 1 100 100 GLU C C 100 177.989 177.989 178.660 -0.671 18518 3257 1 5 . 1 1 100 100 GLU CA C 100 59.087 59.087 58.555 0.532 18518 3258 1 5 . 1 1 100 100 GLU CB C 100 29.382 29.382 29.167 0.215 18518 3259 1 5 . 1 1 100 100 GLU H H 100 7.422 7.422 8.162 -0.740 18518 3260 1 5 . 1 1 101 101 SER N N 101 108.991 108.991 114.123 -5.132 18518 3261 1 5 . 1 1 101 101 SER HA H 101 4.524 4.524 4.368 0.156 18518 3262 1 5 . 1 1 101 101 SER C C 101 176.628 176.628 175.172 1.456 18518 3263 1 5 . 1 1 101 101 SER CA C 101 60.349 60.349 60.369 -0.020 18518 3264 1 5 . 1 1 101 101 SER CB C 101 64.741 64.741 63.949 0.792 18518 3265 1 5 . 1 1 101 101 SER H H 101 7.424 7.424 7.804 -0.380 18518 3266 1 5 . 1 1 102 102 GLU N N 102 116.533 116.533 119.528 -2.995 18518 3267 1 5 . 1 1 102 102 GLU HA H 102 4.744 4.744 4.602 0.142 18518 3268 1 5 . 1 1 102 102 GLU C C 102 176.774 176.774 175.194 1.580 18518 3269 1 5 . 1 1 102 102 GLU CA C 102 55.581 55.581 55.675 -0.094 18518 3270 1 5 . 1 1 102 102 GLU CB C 102 30.697 30.697 31.715 -1.018 18518 3271 1 5 . 1 1 102 102 GLU H H 102 8.487 8.487 7.893 0.594 18518 3272 1 5 . 1 1 103 103 LYS N N 103 118.370 118.370 119.727 -1.357 18518 3273 1 5 . 1 1 103 103 LYS HA H 103 4.178 4.178 4.365 -0.187 18518 3274 1 5 . 1 1 103 103 LYS C C 103 175.018 175.018 176.852 -1.834 18518 3275 1 5 . 1 1 103 103 LYS CA C 103 57.329 57.329 56.380 0.949 18518 3276 1 5 . 1 1 103 103 LYS CB C 103 32.186 32.186 32.009 0.177 18518 3277 1 5 . 1 1 103 103 LYS H H 103 7.831 7.831 7.680 0.151 18518 3278 1 5 . 1 1 104 104 ASP N N 104 123.500 123.500 122.903 0.597 18518 3279 1 5 . 1 1 104 104 ASP HA H 104 4.755 4.755 4.625 0.130 18518 3280 1 5 . 1 1 104 104 ASP C C 104 177.383 177.383 177.508 -0.125 18518 3281 1 5 . 1 1 104 104 ASP CA C 104 53.846 53.846 53.896 -0.050 18518 3282 1 5 . 1 1 104 104 ASP CB C 104 43.411 43.411 43.270 0.141 18518 3283 1 5 . 1 1 104 104 ASP H H 104 9.041 9.041 8.503 0.538 18518 3284 1 5 . 1 1 105 105 GLU N N 105 125.448 125.448 120.366 5.082 18518 3285 1 5 . 1 1 105 105 GLU HA H 105 4.180 4.180 4.137 0.043 18518 3286 1 5 . 1 1 105 105 GLU C C 105 177.519 177.519 177.429 0.090 18518 3287 1 5 . 1 1 105 105 GLU CA C 105 59.529 59.529 58.823 0.706 18518 3288 1 5 . 1 1 105 105 GLU CB C 105 30.044 30.044 29.792 0.252 18518 3289 1 5 . 1 1 105 105 GLU H H 105 8.906 8.906 8.672 0.234 18518 3290 1 5 . 1 1 106 106 ASP N N 106 118.824 118.824 118.094 0.730 18518 3291 1 5 . 1 1 106 106 ASP HA H 106 4.179 4.179 4.526 -0.347 18518 3292 1 5 . 1 1 106 106 ASP C C 106 176.223 176.223 176.815 -0.592 18518 3293 1 5 . 1 1 106 106 ASP CA C 106 54.756 54.756 55.518 -0.762 18518 3294 1 5 . 1 1 106 106 ASP CB C 106 39.999 39.999 41.715 -1.716 18518 3295 1 5 . 1 1 106 106 ASP H H 106 10.036 10.036 8.585 1.451 18518 3296 1 5 . 1 1 107 107 GLY N N 107 105.866 105.866 105.719 0.147 18518 3297 1 5 . 1 1 107 107 GLY C C 107 175.136 175.136 173.998 1.138 18518 3298 1 5 . 1 1 107 107 GLY CA C 107 45.222 45.222 45.100 0.122 18518 3299 1 5 . 1 1 107 107 GLY H H 107 8.001 8.001 7.376 0.625 18518 3300 1 5 . 1 1 108 108 PHE N N 108 123.820 123.820 120.070 3.750 18518 3301 1 5 . 1 1 108 108 PHE HA H 108 4.662 4.662 4.699 -0.037 18518 3302 1 5 . 1 1 108 108 PHE C C 108 174.899 174.899 174.885 0.014 18518 3303 1 5 . 1 1 108 108 PHE CA C 108 60.238 60.238 58.290 1.948 18518 3304 1 5 . 1 1 108 108 PHE CB C 108 40.365 40.365 40.336 0.029 18518 3305 1 5 . 1 1 108 108 PHE H H 108 9.912 9.912 7.663 2.249 18518 3306 1 5 . 1 1 109 109 LEU N N 109 120.130 120.130 123.576 -3.446 18518 3307 1 5 . 1 1 109 109 LEU HA H 109 5.030 5.030 4.924 0.106 18518 3308 1 5 . 1 1 109 109 LEU C C 109 173.916 173.916 174.802 -0.886 18518 3309 1 5 . 1 1 109 109 LEU CA C 109 53.424 53.424 54.058 -0.634 18518 3310 1 5 . 1 1 109 109 LEU CB C 109 45.203 45.203 44.030 1.173 18518 3311 1 5 . 1 1 109 109 LEU H H 109 7.997 7.997 8.809 -0.812 18518 3312 1 5 . 1 1 110 110 TYR N N 110 126.579 126.579 126.792 -0.213 18518 3313 1 5 . 1 1 110 110 TYR HA H 110 5.003 5.003 4.608 0.395 18518 3314 1 5 . 1 1 110 110 TYR C C 110 176.671 176.671 175.175 1.496 18518 3315 1 5 . 1 1 110 110 TYR CA C 110 59.058 59.058 58.408 0.650 18518 3316 1 5 . 1 1 110 110 TYR CB C 110 39.556 39.556 39.977 -0.421 18518 3317 1 5 . 1 1 110 110 TYR H H 110 9.377 9.377 8.466 0.911 18518 3318 1 5 . 1 1 111 111 MET N N 111 119.240 119.240 120.225 -0.985 18518 3319 1 5 . 1 1 111 111 MET HA H 111 5.486 5.486 5.360 0.126 18518 3320 1 5 . 1 1 111 111 MET C C 111 175.695 175.695 174.495 1.200 18518 3321 1 5 . 1 1 111 111 MET CA C 111 54.124 54.124 54.550 -0.426 18518 3322 1 5 . 1 1 111 111 MET CB C 111 36.960 36.960 37.460 -0.500 18518 3323 1 5 . 1 1 111 111 MET H H 111 9.658 9.658 8.664 0.994 18518 3324 1 5 . 1 1 112 112 VAL N N 112 119.865 119.865 116.377 3.488 18518 3325 1 5 . 1 1 112 112 VAL HA H 112 5.963 5.963 5.369 0.594 18518 3326 1 5 . 1 1 112 112 VAL C C 112 175.058 175.058 173.734 1.324 18518 3327 1 5 . 1 1 112 112 VAL CA C 112 58.911 58.911 59.901 -0.990 18518 3328 1 5 . 1 1 112 112 VAL CB C 112 36.051 36.051 35.635 0.416 18518 3329 1 5 . 1 1 112 112 VAL H H 112 8.794 8.794 8.948 -0.154 18518 3330 1 5 . 1 1 113 113 TYR N N 113 119.664 119.664 119.551 0.113 18518 3331 1 5 . 1 1 113 113 TYR HA H 113 6.118 6.118 5.797 0.321 18518 3332 1 5 . 1 1 113 113 TYR C C 113 173.375 173.375 173.754 -0.379 18518 3333 1 5 . 1 1 113 113 TYR CA C 113 54.153 54.153 55.163 -1.010 18518 3334 1 5 . 1 1 113 113 TYR CB C 113 43.312 43.312 42.023 1.289 18518 3335 1 5 . 1 1 113 113 TYR H H 113 8.315 8.315 8.498 -0.183 18518 3336 1 5 . 1 1 114 114 ALA N N 114 119.763 119.763 122.653 -2.890 18518 3337 1 5 . 1 1 114 114 ALA HA H 114 4.800 4.800 5.065 -0.265 18518 3338 1 5 . 1 1 114 114 ALA C C 114 176.216 176.216 175.201 1.015 18518 3339 1 5 . 1 1 114 114 ALA CA C 114 51.132 51.132 51.862 -0.730 18518 3340 1 5 . 1 1 114 114 ALA CB C 114 24.596 24.596 22.387 2.209 18518 3341 1 5 . 1 1 114 114 ALA H H 114 8.465 8.465 8.998 -0.533 18518 3342 1 5 . 1 1 115 115 SER N N 115 114.763 114.763 115.910 -1.147 18518 3343 1 5 . 1 1 115 115 SER HA H 115 4.496 4.496 5.071 -0.575 18518 3344 1 5 . 1 1 115 115 SER C C 115 172.671 172.671 173.687 -1.016 18518 3345 1 5 . 1 1 115 115 SER CA C 115 58.651 58.651 57.291 1.360 18518 3346 1 5 . 1 1 115 115 SER CB C 115 63.526 63.526 62.292 1.234 18518 3347 1 5 . 1 1 115 115 SER H H 115 9.915 9.915 9.105 0.810 18518 3348 1 5 . 1 1 116 116 GLN N N 116 116.611 116.611 124.076 -7.465 18518 3349 1 5 . 1 1 116 116 GLN HA H 116 4.484 4.484 4.620 -0.136 18518 3350 1 5 . 1 1 116 116 GLN C C 116 172.733 172.733 174.068 -1.335 18518 3351 1 5 . 1 1 116 116 GLN CA C 116 53.926 53.926 56.011 -2.085 18518 3352 1 5 . 1 1 116 116 GLN CB C 116 32.358 32.358 30.919 1.440 18518 3353 1 5 . 1 1 116 116 GLN H H 116 7.219 7.219 8.250 -1.031 18518 3354 1 5 . 1 1 117 117 GLU N N 117 117.623 117.623 122.606 -4.983 18518 3355 1 5 . 1 1 117 117 GLU HA H 117 3.287 3.287 3.207 0.080 18518 3356 1 5 . 1 1 117 117 GLU C C 117 175.168 175.168 176.197 -1.029 18518 3357 1 5 . 1 1 117 117 GLU CA C 117 56.882 56.882 57.044 -0.162 18518 3358 1 5 . 1 1 117 117 GLU CB C 117 30.522 30.522 29.552 0.970 18518 3359 1 5 . 1 1 117 117 GLU H H 117 7.882 7.882 8.619 -0.737 18518 3360 1 5 . 1 1 118 118 THR N N 118 109.820 109.820 110.677 -0.857 18518 3361 1 5 . 1 1 118 118 THR HA H 118 4.066 4.066 4.450 -0.384 18518 3362 1 5 . 1 1 118 118 THR C C 118 172.355 172.355 174.725 -2.370 18518 3363 1 5 . 1 1 118 118 THR CA C 118 60.029 60.029 60.814 -0.785 18518 3364 1 5 . 1 1 118 118 THR CB C 118 70.480 70.480 69.065 1.415 18518 3365 1 5 . 1 1 118 118 THR H H 118 6.992 6.992 7.558 -0.566 18518 3366 1 6 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.796 -0.460 18518 3367 1 6 . 1 1 2 2 ALA C C 2 177.974 177.974 175.887 2.087 18518 3368 1 6 . 1 1 2 2 ALA CA C 2 52.785 52.785 51.925 0.860 18518 3369 1 6 . 1 1 2 2 ALA CB C 2 19.444 19.444 20.016 -0.572 18518 3370 1 6 . 1 1 3 3 MET N N 3 119.311 119.311 119.124 0.187 18518 3371 1 6 . 1 1 3 3 MET HA H 3 4.451 4.451 4.948 -0.497 18518 3372 1 6 . 1 1 3 3 MET C C 3 176.913 176.913 175.881 1.032 18518 3373 1 6 . 1 1 3 3 MET CA C 3 55.679 55.679 54.425 1.254 18518 3374 1 6 . 1 1 3 3 MET CB C 3 32.590 32.590 34.710 -2.120 18518 3375 1 6 . 1 1 3 3 MET H H 3 8.638 8.638 8.552 0.086 18518 3376 1 6 . 1 1 4 4 GLY N N 4 110.281 110.281 108.890 1.391 18518 3377 1 6 . 1 1 4 4 GLY C C 4 174.180 174.180 174.486 -0.306 18518 3378 1 6 . 1 1 4 4 GLY CA C 4 45.495 45.495 45.171 0.324 18518 3379 1 6 . 1 1 4 4 GLY H H 4 8.552 8.552 8.451 0.101 18518 3380 1 6 . 1 1 5 5 LYS N N 5 120.818 120.818 126.101 -5.283 18518 3381 1 6 . 1 1 5 5 LYS HA H 5 4.509 4.509 4.146 0.363 18518 3382 1 6 . 1 1 5 5 LYS C C 5 177.605 177.605 176.706 0.899 18518 3383 1 6 . 1 1 5 5 LYS CA C 5 56.134 56.134 55.575 0.559 18518 3384 1 6 . 1 1 5 5 LYS CB C 5 34.813 34.813 31.969 2.844 18518 3385 1 6 . 1 1 5 5 LYS H H 5 8.133 8.133 8.045 0.088 18518 3386 1 6 . 1 1 6 6 THR N N 6 114.781 114.781 117.674 -2.893 18518 3387 1 6 . 1 1 6 6 THR HA H 6 4.421 4.421 4.373 0.048 18518 3388 1 6 . 1 1 6 6 THR C C 6 175.524 175.524 175.858 -0.334 18518 3389 1 6 . 1 1 6 6 THR CA C 6 61.127 61.127 60.644 0.483 18518 3390 1 6 . 1 1 6 6 THR CB C 6 69.926 69.926 70.383 -0.457 18518 3391 1 6 . 1 1 6 6 THR H H 6 8.483 8.483 7.754 0.729 18518 3392 1 6 . 1 1 7 7 PHE N N 7 125.552 125.552 121.593 3.959 18518 3393 1 6 . 1 1 7 7 PHE HA H 7 4.005 4.005 4.194 -0.189 18518 3394 1 6 . 1 1 7 7 PHE C C 7 177.397 177.397 176.569 0.828 18518 3395 1 6 . 1 1 7 7 PHE CA C 7 63.393 63.393 60.642 2.751 18518 3396 1 6 . 1 1 7 7 PHE CB C 7 39.567 39.567 38.174 1.393 18518 3397 1 6 . 1 1 7 7 PHE H H 7 10.245 10.245 9.038 1.207 18518 3398 1 6 . 1 1 8 8 LYS N N 8 114.053 114.053 117.064 -3.011 18518 3399 1 6 . 1 1 8 8 LYS HA H 8 3.835 3.835 3.773 0.062 18518 3400 1 6 . 1 1 8 8 LYS C C 8 175.520 175.520 178.266 -2.746 18518 3401 1 6 . 1 1 8 8 LYS CA C 8 59.993 59.993 57.869 2.124 18518 3402 1 6 . 1 1 8 8 LYS CB C 8 33.689 33.689 31.184 2.505 18518 3403 1 6 . 1 1 8 8 LYS H H 8 8.775 8.775 6.532 2.244 18518 3404 1 6 . 1 1 9 9 GLN N N 9 113.516 113.516 119.058 -5.542 18518 3405 1 6 . 1 1 9 9 GLN HA H 9 4.149 4.149 4.106 0.043 18518 3406 1 6 . 1 1 9 9 GLN C C 9 177.615 177.615 177.478 0.137 18518 3407 1 6 . 1 1 9 9 GLN CA C 9 56.819 56.819 58.222 -1.403 18518 3408 1 6 . 1 1 9 9 GLN CB C 9 30.019 30.019 28.988 1.031 18518 3409 1 6 . 1 1 9 9 GLN H H 9 7.355 7.355 7.621 -0.266 18518 3410 1 6 . 1 1 10 10 ARG N N 10 118.294 118.294 116.517 1.777 18518 3411 1 6 . 1 1 10 10 ARG HA H 10 4.302 4.302 4.263 0.039 18518 3412 1 6 . 1 1 10 10 ARG C C 10 179.380 179.380 177.271 2.109 18518 3413 1 6 . 1 1 10 10 ARG CA C 10 57.268 57.268 57.000 0.268 18518 3414 1 6 . 1 1 10 10 ARG CB C 10 31.642 31.642 30.517 1.125 18518 3415 1 6 . 1 1 10 10 ARG H H 10 7.936 7.936 7.710 0.226 18518 3416 1 6 . 1 1 11 11 ARG N N 11 121.137 121.137 118.530 2.607 18518 3417 1 6 . 1 1 11 11 ARG HA H 11 4.680 4.680 4.826 -0.146 18518 3418 1 6 . 1 1 11 11 ARG CA C 11 53.453 53.453 55.308 -1.855 18518 3419 1 6 . 1 1 11 11 ARG CB C 11 32.938 32.938 33.031 -0.092 18518 3420 1 6 . 1 1 11 11 ARG H H 11 7.390 7.390 7.394 -0.004 18518 3421 1 6 . 1 1 12 12 THR N N 12 116.819 116.819 119.806 -2.987 18518 3422 1 6 . 1 1 12 12 THR HA H 12 4.359 4.359 4.305 0.054 18518 3423 1 6 . 1 1 12 12 THR C C 12 174.989 174.989 175.650 -0.661 18518 3424 1 6 . 1 1 12 12 THR CA C 12 61.748 61.748 63.413 -1.665 18518 3425 1 6 . 1 1 12 12 THR CB C 12 71.068 71.068 70.129 0.939 18518 3426 1 6 . 1 1 12 12 THR H H 12 8.953 8.953 8.484 0.469 18518 3427 1 6 . 1 1 13 13 PHE N N 13 123.200 123.200 123.411 -0.211 18518 3428 1 6 . 1 1 13 13 PHE HA H 13 4.028 4.028 4.243 -0.215 18518 3429 1 6 . 1 1 13 13 PHE C C 13 176.029 176.029 177.127 -1.098 18518 3430 1 6 . 1 1 13 13 PHE CA C 13 62.864 62.864 62.606 0.258 18518 3431 1 6 . 1 1 13 13 PHE CB C 13 39.560 39.560 39.387 0.173 18518 3432 1 6 . 1 1 13 13 PHE H H 13 9.284 9.284 8.960 0.324 18518 3433 1 6 . 1 1 14 14 GLU N N 14 115.414 115.414 118.318 -2.904 18518 3434 1 6 . 1 1 14 14 GLU HA H 14 3.794 3.794 4.075 -0.281 18518 3435 1 6 . 1 1 14 14 GLU C C 14 180.081 180.081 179.242 0.839 18518 3436 1 6 . 1 1 14 14 GLU CA C 14 60.619 60.619 60.534 0.085 18518 3437 1 6 . 1 1 14 14 GLU CB C 14 28.852 28.852 28.992 -0.140 18518 3438 1 6 . 1 1 14 14 GLU H H 14 8.973 8.973 8.846 0.127 18518 3439 1 6 . 1 1 15 15 GLN N N 15 119.276 119.276 117.628 1.648 18518 3440 1 6 . 1 1 15 15 GLN HA H 15 4.000 4.000 4.103 -0.103 18518 3441 1 6 . 1 1 15 15 GLN C C 15 177.978 177.978 178.844 -0.866 18518 3442 1 6 . 1 1 15 15 GLN CA C 15 58.835 58.835 58.811 0.024 18518 3443 1 6 . 1 1 15 15 GLN CB C 15 29.370 29.370 28.567 0.803 18518 3444 1 6 . 1 1 15 15 GLN H H 15 7.756 7.756 7.823 -0.067 18518 3445 1 6 . 1 1 16 16 ARG N N 16 121.336 121.336 120.774 0.562 18518 3446 1 6 . 1 1 16 16 ARG HA H 16 4.270 4.270 4.165 0.105 18518 3447 1 6 . 1 1 16 16 ARG C C 16 177.416 177.416 178.557 -1.141 18518 3448 1 6 . 1 1 16 16 ARG CA C 16 61.375 61.375 60.026 1.349 18518 3449 1 6 . 1 1 16 16 ARG CB C 16 30.605 30.605 30.204 0.401 18518 3450 1 6 . 1 1 16 16 ARG H H 16 8.645 8.645 7.877 0.768 18518 3451 1 6 . 1 1 17 17 VAL N N 17 117.630 117.630 121.188 -3.558 18518 3452 1 6 . 1 1 17 17 VAL HA H 17 3.857 3.857 3.715 0.142 18518 3453 1 6 . 1 1 17 17 VAL C C 17 179.748 179.748 177.555 2.193 18518 3454 1 6 . 1 1 17 17 VAL CA C 17 65.726 65.726 65.575 0.151 18518 3455 1 6 . 1 1 17 17 VAL CB C 17 32.194 32.194 31.566 0.628 18518 3456 1 6 . 1 1 17 17 VAL H H 17 8.373 8.373 8.056 0.317 18518 3457 1 6 . 1 1 18 18 GLU N N 18 120.864 120.864 119.187 1.677 18518 3458 1 6 . 1 1 18 18 GLU HA H 18 4.302 4.302 3.967 0.335 18518 3459 1 6 . 1 1 18 18 GLU C C 18 177.728 177.728 178.791 -1.063 18518 3460 1 6 . 1 1 18 18 GLU CA C 18 58.486 58.486 59.871 -1.385 18518 3461 1 6 . 1 1 18 18 GLU CB C 18 29.382 29.382 29.253 0.129 18518 3462 1 6 . 1 1 18 18 GLU H H 18 7.368 7.368 8.203 -0.835 18518 3463 1 6 . 1 1 19 19 ASP N N 19 121.425 121.425 120.635 0.790 18518 3464 1 6 . 1 1 19 19 ASP HA H 19 4.434 4.434 4.472 -0.038 18518 3465 1 6 . 1 1 19 19 ASP C C 19 179.978 179.978 178.404 1.574 18518 3466 1 6 . 1 1 19 19 ASP CA C 19 57.422 57.422 57.316 0.106 18518 3467 1 6 . 1 1 19 19 ASP CB C 19 41.287 41.287 41.267 0.020 18518 3468 1 6 . 1 1 19 19 ASP H H 19 8.671 8.671 7.997 0.674 18518 3469 1 6 . 1 1 20 20 VAL N N 20 119.730 119.730 120.972 -1.242 18518 3470 1 6 . 1 1 20 20 VAL HA H 20 3.205 3.205 3.308 -0.103 18518 3471 1 6 . 1 1 20 20 VAL C C 20 176.284 176.284 177.886 -1.602 18518 3472 1 6 . 1 1 20 20 VAL CA C 20 66.315 66.315 66.227 0.088 18518 3473 1 6 . 1 1 20 20 VAL CB C 20 31.107 31.107 31.474 -0.367 18518 3474 1 6 . 1 1 20 20 VAL H H 20 7.999 7.999 8.264 -0.265 18518 3475 1 6 . 1 1 21 21 ARG N N 21 121.455 121.455 119.355 2.100 18518 3476 1 6 . 1 1 21 21 ARG HA H 21 3.814 3.814 3.986 -0.172 18518 3477 1 6 . 1 1 21 21 ARG C C 21 180.120 180.120 178.486 1.634 18518 3478 1 6 . 1 1 21 21 ARG CA C 21 59.830 59.830 58.937 0.893 18518 3479 1 6 . 1 1 21 21 ARG CB C 21 29.946 29.946 29.108 0.838 18518 3480 1 6 . 1 1 21 21 ARG H H 21 8.098 8.098 8.211 -0.113 18518 3481 1 6 . 1 1 22 22 LEU N N 22 117.826 117.826 121.261 -3.435 18518 3482 1 6 . 1 1 22 22 LEU HA H 22 4.049 4.049 4.047 0.002 18518 3483 1 6 . 1 1 22 22 LEU C C 22 180.115 180.115 178.635 1.480 18518 3484 1 6 . 1 1 22 22 LEU CA C 22 57.790 57.790 57.838 -0.048 18518 3485 1 6 . 1 1 22 22 LEU CB C 22 42.142 42.142 41.449 0.693 18518 3486 1 6 . 1 1 22 22 LEU H H 22 8.207 8.207 7.803 0.404 18518 3487 1 6 . 1 1 23 23 ILE N N 23 121.450 121.450 120.433 1.017 18518 3488 1 6 . 1 1 23 23 ILE HA H 23 4.013 4.013 3.960 0.053 18518 3489 1 6 . 1 1 23 23 ILE C C 23 178.149 178.149 178.454 -0.305 18518 3490 1 6 . 1 1 23 23 ILE CA C 23 62.171 62.171 64.487 -2.316 18518 3491 1 6 . 1 1 23 23 ILE CB C 23 38.106 38.106 37.730 0.376 18518 3492 1 6 . 1 1 23 23 ILE H H 23 8.105 8.105 8.499 -0.394 18518 3493 1 6 . 1 1 24 24 ARG N N 24 121.139 121.139 118.588 2.551 18518 3494 1 6 . 1 1 24 24 ARG HA H 24 3.987 3.987 4.179 -0.192 18518 3495 1 6 . 1 1 24 24 ARG C C 24 178.702 178.702 178.917 -0.215 18518 3496 1 6 . 1 1 24 24 ARG CA C 24 57.718 57.718 58.832 -1.114 18518 3497 1 6 . 1 1 24 24 ARG CB C 24 28.769 28.769 29.646 -0.877 18518 3498 1 6 . 1 1 24 24 ARG H H 24 8.601 8.601 8.442 0.159 18518 3499 1 6 . 1 1 25 25 GLU N N 25 118.054 118.054 119.666 -1.612 18518 3500 1 6 . 1 1 25 25 GLU HA H 25 4.026 4.026 4.107 -0.081 18518 3501 1 6 . 1 1 25 25 GLU C C 25 178.492 178.492 178.158 0.334 18518 3502 1 6 . 1 1 25 25 GLU CA C 25 58.780 58.780 58.419 0.361 18518 3503 1 6 . 1 1 25 25 GLU CB C 25 30.001 30.001 29.677 0.324 18518 3504 1 6 . 1 1 25 25 GLU H H 25 7.423 7.423 7.990 -0.567 18518 3505 1 6 . 1 1 26 26 GLN N N 26 116.350 116.350 117.346 -0.996 18518 3506 1 6 . 1 1 26 26 GLN HA H 26 3.936 3.936 4.024 -0.088 18518 3507 1 6 . 1 1 26 26 GLN C C 26 176.305 176.305 176.865 -0.560 18518 3508 1 6 . 1 1 26 26 GLN CA C 26 57.503 57.503 57.515 -0.012 18518 3509 1 6 . 1 1 26 26 GLN CB C 26 30.207 30.207 29.331 0.876 18518 3510 1 6 . 1 1 26 26 GLN H H 26 7.524 7.524 8.179 -0.655 18518 3511 1 6 . 1 1 27 27 HIS N N 27 116.017 116.017 118.281 -2.264 18518 3512 1 6 . 1 1 27 27 HIS HA H 27 4.930 4.930 5.107 -0.177 18518 3513 1 6 . 1 1 27 27 HIS CA C 27 53.054 53.054 52.742 0.312 18518 3514 1 6 . 1 1 27 27 HIS CB C 27 30.747 30.747 30.975 -0.228 18518 3515 1 6 . 1 1 27 27 HIS H H 27 8.284 8.284 8.187 0.097 18518 3516 1 6 . 1 1 28 28 PRO HA H 28 4.581 4.581 4.616 -0.035 18518 3517 1 6 . 1 1 28 28 PRO CA C 28 64.919 64.919 64.366 0.553 18518 3518 1 6 . 1 1 28 28 PRO CB C 28 32.455 32.455 32.305 0.150 18518 3519 1 6 . 1 1 29 29 THR N N 29 107.011 107.011 107.128 -0.117 18518 3520 1 6 . 1 1 29 29 THR HA H 29 4.599 4.599 4.322 0.277 18518 3521 1 6 . 1 1 29 29 THR C C 29 172.884 172.884 174.131 -1.247 18518 3522 1 6 . 1 1 29 29 THR CA C 29 60.810 60.810 61.611 -0.801 18518 3523 1 6 . 1 1 29 29 THR CB C 29 68.531 68.531 68.636 -0.105 18518 3524 1 6 . 1 1 29 29 THR H H 29 7.890 7.890 8.330 -0.440 18518 3525 1 6 . 1 1 30 30 LYS N N 30 117.679 117.679 121.478 -3.799 18518 3526 1 6 . 1 1 30 30 LYS HA H 30 4.858 4.858 4.950 -0.092 18518 3527 1 6 . 1 1 30 30 LYS C C 30 174.310 174.310 175.098 -0.788 18518 3528 1 6 . 1 1 30 30 LYS CA C 30 53.751 53.751 53.935 -0.184 18518 3529 1 6 . 1 1 30 30 LYS CB C 30 35.804 35.804 35.272 0.532 18518 3530 1 6 . 1 1 30 30 LYS H H 30 7.441 7.441 7.482 -0.041 18518 3531 1 6 . 1 1 31 31 ILE N N 31 122.849 122.849 122.395 0.454 18518 3532 1 6 . 1 1 31 31 ILE HA H 31 4.105 4.105 4.242 -0.137 18518 3533 1 6 . 1 1 31 31 ILE CA C 31 54.801 54.801 58.034 -3.233 18518 3534 1 6 . 1 1 31 31 ILE CB C 31 38.265 38.265 39.715 -1.450 18518 3535 1 6 . 1 1 31 31 ILE H H 31 9.304 9.304 8.928 0.376 18518 3536 1 6 . 1 1 32 32 PRO HA H 32 5.159 5.159 4.918 0.241 18518 3537 1 6 . 1 1 32 32 PRO C C 32 174.164 174.164 176.115 -1.951 18518 3538 1 6 . 1 1 32 32 PRO CA C 32 61.503 61.503 62.166 -0.663 18518 3539 1 6 . 1 1 32 32 PRO CB C 32 31.145 31.145 30.625 0.520 18518 3540 1 6 . 1 1 33 33 VAL N N 33 125.606 125.606 121.502 4.104 18518 3541 1 6 . 1 1 33 33 VAL HA H 33 5.213 5.213 5.081 0.132 18518 3542 1 6 . 1 1 33 33 VAL C C 33 173.654 173.654 173.890 -0.236 18518 3543 1 6 . 1 1 33 33 VAL CA C 33 60.044 60.044 59.703 0.341 18518 3544 1 6 . 1 1 33 33 VAL CB C 33 35.604 35.604 35.663 -0.060 18518 3545 1 6 . 1 1 33 33 VAL H H 33 9.424 9.424 8.484 0.940 18518 3546 1 6 . 1 1 34 34 ILE N N 34 128.241 128.241 125.714 2.527 18518 3547 1 6 . 1 1 34 34 ILE HA H 34 4.833 4.833 4.698 0.135 18518 3548 1 6 . 1 1 34 34 ILE C C 34 175.605 175.605 174.715 0.890 18518 3549 1 6 . 1 1 34 34 ILE CA C 34 56.765 56.765 59.965 -3.200 18518 3550 1 6 . 1 1 34 34 ILE CB C 34 36.799 36.799 39.180 -2.381 18518 3551 1 6 . 1 1 34 34 ILE H H 34 8.721 8.721 8.860 -0.139 18518 3552 1 6 . 1 1 35 35 ILE N N 35 125.650 125.650 128.304 -2.654 18518 3553 1 6 . 1 1 35 35 ILE HA H 35 4.836 4.836 5.029 -0.193 18518 3554 1 6 . 1 1 35 35 ILE C C 35 174.887 174.887 174.526 0.361 18518 3555 1 6 . 1 1 35 35 ILE CA C 35 60.945 60.945 60.190 0.755 18518 3556 1 6 . 1 1 35 35 ILE CB C 35 39.210 39.210 40.112 -0.902 18518 3557 1 6 . 1 1 35 35 ILE H H 35 9.034 9.034 8.740 0.294 18518 3558 1 6 . 1 1 36 36 GLU N N 36 122.657 122.657 125.293 -2.636 18518 3559 1 6 . 1 1 36 36 GLU HA H 36 4.861 4.861 4.817 0.044 18518 3560 1 6 . 1 1 36 36 GLU C C 36 173.848 173.848 174.191 -0.343 18518 3561 1 6 . 1 1 36 36 GLU CA C 36 53.932 53.932 54.452 -0.520 18518 3562 1 6 . 1 1 36 36 GLU CB C 36 35.282 35.282 34.484 0.798 18518 3563 1 6 . 1 1 36 36 GLU H H 36 8.303 8.303 8.413 -0.110 18518 3564 1 6 . 1 1 37 37 ARG N N 37 123.228 123.228 125.669 -2.441 18518 3565 1 6 . 1 1 37 37 ARG HA H 37 2.726 2.726 3.327 -0.601 18518 3566 1 6 . 1 1 37 37 ARG C C 37 176.359 176.359 175.999 0.360 18518 3567 1 6 . 1 1 37 37 ARG CA C 37 56.359 56.359 56.332 0.027 18518 3568 1 6 . 1 1 37 37 ARG CB C 37 31.341 31.341 30.488 0.852 18518 3569 1 6 . 1 1 37 37 ARG H H 37 8.856 8.856 8.623 0.233 18518 3570 1 6 . 1 1 38 38 TYR N N 38 128.981 128.981 128.096 0.885 18518 3571 1 6 . 1 1 38 38 TYR HA H 38 4.352 4.352 4.201 0.151 18518 3572 1 6 . 1 1 38 38 TYR C C 38 177.316 177.316 176.396 0.920 18518 3573 1 6 . 1 1 38 38 TYR CA C 38 57.712 57.712 58.682 -0.970 18518 3574 1 6 . 1 1 38 38 TYR CB C 38 39.472 39.472 39.821 -0.349 18518 3575 1 6 . 1 1 38 38 TYR H H 38 8.628 8.628 8.546 0.082 18518 3576 1 6 . 1 1 39 39 LYS N N 39 130.635 130.635 127.050 3.585 18518 3577 1 6 . 1 1 39 39 LYS HA H 39 3.822 3.822 3.842 -0.020 18518 3578 1 6 . 1 1 39 39 LYS CA C 39 58.887 58.887 58.130 0.757 18518 3579 1 6 . 1 1 39 39 LYS CB C 39 31.771 31.771 31.980 -0.208 18518 3580 1 6 . 1 1 39 39 LYS H H 39 8.594 8.594 8.363 0.231 18518 3581 1 6 . 1 1 40 40 GLY C C 40 173.447 173.447 174.700 -1.253 18518 3582 1 6 . 1 1 40 40 GLY CA C 40 44.663 44.663 44.273 0.390 18518 3583 1 6 . 1 1 40 40 GLY H H 40 5.188 5.188 6.499 -1.311 18518 3584 1 6 . 1 1 41 41 GLU N N 41 122.836 122.836 120.428 2.408 18518 3585 1 6 . 1 1 41 41 GLU HA H 41 4.257 4.257 4.343 -0.086 18518 3586 1 6 . 1 1 41 41 GLU C C 41 176.524 176.524 176.090 0.434 18518 3587 1 6 . 1 1 41 41 GLU CA C 41 56.525 56.525 56.538 -0.013 18518 3588 1 6 . 1 1 41 41 GLU CB C 41 30.985 30.985 30.200 0.785 18518 3589 1 6 . 1 1 41 41 GLU H H 41 7.380 7.380 7.611 -0.231 18518 3590 1 6 . 1 1 42 42 LYS N N 42 124.040 124.040 123.721 0.319 18518 3591 1 6 . 1 1 42 42 LYS HA H 42 4.675 4.675 4.441 0.234 18518 3592 1 6 . 1 1 42 42 LYS C C 42 177.538 177.538 177.589 -0.051 18518 3593 1 6 . 1 1 42 42 LYS CA C 42 55.840 55.840 57.029 -1.189 18518 3594 1 6 . 1 1 42 42 LYS CB C 42 34.979 34.979 33.955 1.024 18518 3595 1 6 . 1 1 42 42 LYS H H 42 9.034 9.034 8.412 0.622 18518 3596 1 6 . 1 1 43 43 GLN N N 43 119.259 119.259 117.872 1.387 18518 3597 1 6 . 1 1 43 43 GLN HA H 43 4.542 4.542 4.239 0.303 18518 3598 1 6 . 1 1 43 43 GLN C C 43 177.336 177.336 176.353 0.983 18518 3599 1 6 . 1 1 43 43 GLN CA C 43 57.673 57.673 57.394 0.279 18518 3600 1 6 . 1 1 43 43 GLN CB C 43 30.782 30.782 29.564 1.218 18518 3601 1 6 . 1 1 43 43 GLN H H 43 8.435 8.435 8.281 0.154 18518 3602 1 6 . 1 1 44 44 LEU N N 44 120.760 120.760 123.284 -2.524 18518 3603 1 6 . 1 1 44 44 LEU HA H 44 4.695 4.695 4.785 -0.090 18518 3604 1 6 . 1 1 44 44 LEU CA C 44 53.245 53.245 52.460 0.785 18518 3605 1 6 . 1 1 44 44 LEU CB C 44 43.596 43.596 41.509 2.087 18518 3606 1 6 . 1 1 44 44 LEU H H 44 9.126 9.126 8.356 0.770 18518 3607 1 6 . 1 1 45 45 PRO HA H 45 4.717 4.717 4.522 0.195 18518 3608 1 6 . 1 1 45 45 PRO C C 45 175.797 175.797 176.195 -0.398 18518 3609 1 6 . 1 1 45 45 PRO CA C 45 62.111 62.111 62.213 -0.102 18518 3610 1 6 . 1 1 45 45 PRO CB C 45 32.592 32.592 32.326 0.266 18518 3611 1 6 . 1 1 46 46 VAL N N 46 119.052 119.052 119.869 -0.817 18518 3612 1 6 . 1 1 46 46 VAL HA H 46 3.867 3.867 4.169 -0.302 18518 3613 1 6 . 1 1 46 46 VAL C C 46 175.640 175.640 176.660 -1.020 18518 3614 1 6 . 1 1 46 46 VAL CA C 46 62.944 62.944 62.127 0.817 18518 3615 1 6 . 1 1 46 46 VAL CB C 46 32.799 32.799 32.710 0.089 18518 3616 1 6 . 1 1 46 46 VAL H H 46 8.543 8.543 8.228 0.315 18518 3617 1 6 . 1 1 47 47 LEU N N 47 130.203 130.203 127.377 2.826 18518 3618 1 6 . 1 1 47 47 LEU HA H 47 4.309 4.309 4.445 -0.136 18518 3619 1 6 . 1 1 47 47 LEU C C 47 176.198 176.198 177.602 -1.404 18518 3620 1 6 . 1 1 47 47 LEU CA C 47 55.006 55.006 55.215 -0.208 18518 3621 1 6 . 1 1 47 47 LEU CB C 47 43.832 43.832 43.022 0.810 18518 3622 1 6 . 1 1 47 47 LEU H H 47 7.799 7.799 8.378 -0.579 18518 3623 1 6 . 1 1 48 48 ASP N N 48 122.403 122.403 123.735 -1.332 18518 3624 1 6 . 1 1 48 48 ASP HA H 48 4.263 4.263 4.519 -0.256 18518 3625 1 6 . 1 1 48 48 ASP C C 48 175.294 175.294 175.727 -0.433 18518 3626 1 6 . 1 1 48 48 ASP CA C 48 55.832 55.832 55.395 0.437 18518 3627 1 6 . 1 1 48 48 ASP CB C 48 40.184 40.184 41.184 -1.000 18518 3628 1 6 . 1 1 48 48 ASP H H 48 8.780 8.780 8.529 0.251 18518 3629 1 6 . 1 1 49 49 LYS N N 49 119.569 119.569 118.968 0.601 18518 3630 1 6 . 1 1 49 49 LYS HA H 49 4.585 4.585 4.543 0.042 18518 3631 1 6 . 1 1 49 49 LYS C C 49 174.678 174.678 176.154 -1.476 18518 3632 1 6 . 1 1 49 49 LYS CA C 49 53.652 53.652 55.045 -1.393 18518 3633 1 6 . 1 1 49 49 LYS CB C 49 35.945 35.945 34.634 1.311 18518 3634 1 6 . 1 1 49 49 LYS H H 49 7.280 7.280 7.622 -0.342 18518 3635 1 6 . 1 1 50 50 THR N N 50 110.862 110.862 114.385 -3.523 18518 3636 1 6 . 1 1 50 50 THR HA H 50 4.811 4.811 4.795 0.016 18518 3637 1 6 . 1 1 50 50 THR C C 50 172.425 172.425 174.122 -1.697 18518 3638 1 6 . 1 1 50 50 THR CA C 50 62.645 62.645 62.502 0.143 18518 3639 1 6 . 1 1 50 50 THR CB C 50 71.648 71.648 70.257 1.391 18518 3640 1 6 . 1 1 50 50 THR H H 50 8.042 8.042 8.079 -0.037 18518 3641 1 6 . 1 1 51 51 LYS N N 51 120.008 120.008 123.462 -3.454 18518 3642 1 6 . 1 1 51 51 LYS HA H 51 4.625 4.625 4.477 0.148 18518 3643 1 6 . 1 1 51 51 LYS C C 51 175.082 175.082 175.416 -0.334 18518 3644 1 6 . 1 1 51 51 LYS CA C 51 54.704 54.704 56.790 -2.086 18518 3645 1 6 . 1 1 51 51 LYS CB C 51 32.376 32.376 32.846 -0.470 18518 3646 1 6 . 1 1 51 51 LYS H H 51 7.119 7.119 7.813 -0.694 18518 3647 1 6 . 1 1 52 52 PHE N N 52 122.640 122.640 122.407 0.233 18518 3648 1 6 . 1 1 52 52 PHE HA H 52 5.337 5.337 4.730 0.607 18518 3649 1 6 . 1 1 52 52 PHE C C 52 174.213 174.213 174.315 -0.102 18518 3650 1 6 . 1 1 52 52 PHE CA C 52 56.611 56.611 56.491 0.120 18518 3651 1 6 . 1 1 52 52 PHE CB C 52 43.140 43.140 42.914 0.226 18518 3652 1 6 . 1 1 52 52 PHE H H 52 9.709 9.709 9.068 0.641 18518 3653 1 6 . 1 1 53 53 LEU N N 53 122.157 122.157 123.879 -1.722 18518 3654 1 6 . 1 1 53 53 LEU HA H 53 4.947 4.947 4.823 0.124 18518 3655 1 6 . 1 1 53 53 LEU C C 53 175.769 175.769 175.450 0.319 18518 3656 1 6 . 1 1 53 53 LEU CA C 53 52.957 52.957 53.952 -0.995 18518 3657 1 6 . 1 1 53 53 LEU CB C 53 44.415 44.415 43.268 1.147 18518 3658 1 6 . 1 1 53 53 LEU H H 53 8.959 8.959 8.392 0.567 18518 3659 1 6 . 1 1 54 54 VAL N N 54 124.919 124.919 125.199 -0.280 18518 3660 1 6 . 1 1 54 54 VAL HA H 54 4.559 4.559 4.496 0.063 18518 3661 1 6 . 1 1 54 54 VAL CA C 54 59.130 59.130 57.984 1.146 18518 3662 1 6 . 1 1 54 54 VAL CB C 54 34.968 34.968 33.555 1.413 18518 3663 1 6 . 1 1 54 54 VAL H H 54 8.922 8.922 8.550 0.372 18518 3664 1 6 . 1 1 55 55 PRO HA H 55 4.441 4.441 4.909 -0.468 18518 3665 1 6 . 1 1 55 55 PRO C C 55 176.594 176.594 177.892 -1.298 18518 3666 1 6 . 1 1 55 55 PRO CA C 55 64.315 64.315 62.008 2.307 18518 3667 1 6 . 1 1 55 55 PRO CB C 55 32.665 32.665 32.404 0.261 18518 3668 1 6 . 1 1 56 56 ASP N N 56 120.522 120.522 121.985 -1.463 18518 3669 1 6 . 1 1 56 56 ASP HA H 56 3.862 3.862 4.219 -0.357 18518 3670 1 6 . 1 1 56 56 ASP C C 56 175.809 175.809 176.373 -0.564 18518 3671 1 6 . 1 1 56 56 ASP CA C 56 56.749 56.749 56.564 0.185 18518 3672 1 6 . 1 1 56 56 ASP CB C 56 40.510 40.510 40.294 0.216 18518 3673 1 6 . 1 1 56 56 ASP H H 56 8.347 8.347 8.325 0.022 18518 3674 1 6 . 1 1 57 57 HIS N N 57 113.482 113.482 113.936 -0.454 18518 3675 1 6 . 1 1 57 57 HIS HA H 57 4.720 4.720 4.655 0.065 18518 3676 1 6 . 1 1 57 57 HIS C C 57 176.507 176.507 174.835 1.672 18518 3677 1 6 . 1 1 57 57 HIS CA C 57 55.589 55.589 55.642 -0.053 18518 3678 1 6 . 1 1 57 57 HIS CB C 57 30.643 30.643 30.088 0.555 18518 3679 1 6 . 1 1 57 57 HIS H H 57 7.557 7.557 7.756 -0.199 18518 3680 1 6 . 1 1 58 58 VAL N N 58 123.279 123.279 119.363 3.916 18518 3681 1 6 . 1 1 58 58 VAL HA H 58 3.836 3.836 4.350 -0.514 18518 3682 1 6 . 1 1 58 58 VAL C C 58 175.019 175.019 174.978 0.041 18518 3683 1 6 . 1 1 58 58 VAL CA C 58 62.823 62.823 60.442 2.381 18518 3684 1 6 . 1 1 58 58 VAL CB C 58 32.310 32.310 32.640 -0.330 18518 3685 1 6 . 1 1 58 58 VAL H H 58 7.345 7.345 7.282 0.063 18518 3686 1 6 . 1 1 59 59 ASN N N 59 123.781 123.781 123.522 0.259 18518 3687 1 6 . 1 1 59 59 ASN HA H 59 5.126 5.126 4.777 0.349 18518 3688 1 6 . 1 1 59 59 ASN C C 59 176.558 176.558 176.520 0.038 18518 3689 1 6 . 1 1 59 59 ASN CA C 59 51.485 51.485 52.470 -0.985 18518 3690 1 6 . 1 1 59 59 ASN CB C 59 40.107 40.107 39.568 0.539 18518 3691 1 6 . 1 1 59 59 ASN H H 59 8.735 8.735 8.454 0.281 18518 3692 1 6 . 1 1 60 60 MET N N 60 117.453 117.453 117.670 -0.217 18518 3693 1 6 . 1 1 60 60 MET HA H 60 4.395 4.395 4.172 0.223 18518 3694 1 6 . 1 1 60 60 MET C C 60 178.144 178.144 178.262 -0.118 18518 3695 1 6 . 1 1 60 60 MET CA C 60 57.097 57.097 59.747 -2.650 18518 3696 1 6 . 1 1 60 60 MET CB C 60 30.140 30.140 32.112 -1.972 18518 3697 1 6 . 1 1 60 60 MET H H 60 8.227 8.227 8.470 -0.243 18518 3698 1 6 . 1 1 61 61 SER N N 61 114.216 114.216 114.952 -0.736 18518 3699 1 6 . 1 1 61 61 SER HA H 61 4.111 4.111 4.085 0.026 18518 3700 1 6 . 1 1 61 61 SER C C 61 177.335 177.335 176.730 0.605 18518 3701 1 6 . 1 1 61 61 SER CA C 61 61.590 61.590 62.105 -0.515 18518 3702 1 6 . 1 1 61 61 SER CB C 61 62.402 62.402 62.395 0.007 18518 3703 1 6 . 1 1 61 61 SER H H 61 8.464 8.464 8.597 -0.133 18518 3704 1 6 . 1 1 62 62 GLU N N 62 123.004 123.004 120.864 2.140 18518 3705 1 6 . 1 1 62 62 GLU HA H 62 4.047 4.047 4.093 -0.046 18518 3706 1 6 . 1 1 62 62 GLU C C 62 178.686 178.686 178.801 -0.115 18518 3707 1 6 . 1 1 62 62 GLU CA C 62 58.625 58.625 58.866 -0.241 18518 3708 1 6 . 1 1 62 62 GLU CB C 62 29.654 29.654 29.357 0.297 18518 3709 1 6 . 1 1 62 62 GLU H H 62 7.994 7.994 7.643 0.351 18518 3710 1 6 . 1 1 63 63 LEU N N 63 120.818 120.818 121.763 -0.945 18518 3711 1 6 . 1 1 63 63 LEU HA H 63 3.965 3.965 3.970 -0.005 18518 3712 1 6 . 1 1 63 63 LEU C C 63 178.046 178.046 178.936 -0.890 18518 3713 1 6 . 1 1 63 63 LEU CA C 63 57.920 57.920 57.946 -0.026 18518 3714 1 6 . 1 1 63 63 LEU CB C 63 41.624 41.624 41.330 0.294 18518 3715 1 6 . 1 1 63 63 LEU H H 63 8.130 8.130 7.771 0.359 18518 3716 1 6 . 1 1 64 64 ILE N N 64 118.528 118.528 119.799 -1.271 18518 3717 1 6 . 1 1 64 64 ILE HA H 64 3.369 3.369 3.581 -0.212 18518 3718 1 6 . 1 1 64 64 ILE C C 64 177.127 177.127 177.759 -0.632 18518 3719 1 6 . 1 1 64 64 ILE CA C 64 66.678 66.678 66.120 0.558 18518 3720 1 6 . 1 1 64 64 ILE CB C 64 38.444 38.444 37.576 0.868 18518 3721 1 6 . 1 1 64 64 ILE H H 64 8.488 8.488 8.561 -0.073 18518 3722 1 6 . 1 1 65 65 LYS N N 65 118.336 118.336 120.629 -2.293 18518 3723 1 6 . 1 1 65 65 LYS HA H 65 3.701 3.701 3.964 -0.263 18518 3724 1 6 . 1 1 65 65 LYS C C 65 179.291 179.291 179.238 0.053 18518 3725 1 6 . 1 1 65 65 LYS CA C 65 60.440 60.440 59.605 0.835 18518 3726 1 6 . 1 1 65 65 LYS CB C 65 32.371 32.371 32.052 0.319 18518 3727 1 6 . 1 1 65 65 LYS H H 65 7.347 7.347 7.803 -0.456 18518 3728 1 6 . 1 1 66 66 ILE N N 66 120.171 120.171 120.542 -0.371 18518 3729 1 6 . 1 1 66 66 ILE HA H 66 3.578 3.578 3.687 -0.109 18518 3730 1 6 . 1 1 66 66 ILE C C 66 178.873 178.873 178.167 0.706 18518 3731 1 6 . 1 1 66 66 ILE CA C 66 65.160 65.160 65.391 -0.231 18518 3732 1 6 . 1 1 66 66 ILE CB C 66 38.633 38.633 37.847 0.786 18518 3733 1 6 . 1 1 66 66 ILE H H 66 7.901 7.901 8.303 -0.402 18518 3734 1 6 . 1 1 67 67 ILE N N 67 121.185 121.185 120.185 1.000 18518 3735 1 6 . 1 1 67 67 ILE HA H 67 3.446 3.446 3.504 -0.058 18518 3736 1 6 . 1 1 67 67 ILE C C 67 177.150 177.150 177.936 -0.786 18518 3737 1 6 . 1 1 67 67 ILE CA C 67 62.806 62.806 64.483 -1.677 18518 3738 1 6 . 1 1 67 67 ILE CB C 67 34.995 34.995 37.184 -2.189 18518 3739 1 6 . 1 1 67 67 ILE H H 67 8.290 8.290 8.035 0.255 18518 3740 1 6 . 1 1 68 68 ARG N N 68 119.173 119.173 118.556 0.617 18518 3741 1 6 . 1 1 68 68 ARG HA H 68 2.931 2.931 3.782 -0.851 18518 3742 1 6 . 1 1 68 68 ARG C C 68 178.496 178.496 178.729 -0.233 18518 3743 1 6 . 1 1 68 68 ARG CA C 68 60.636 60.636 59.488 1.148 18518 3744 1 6 . 1 1 68 68 ARG CB C 68 30.440 30.440 29.749 0.691 18518 3745 1 6 . 1 1 68 68 ARG H H 68 8.438 8.438 8.349 0.089 18518 3746 1 6 . 1 1 69 69 ARG N N 69 116.511 116.511 120.380 -3.869 18518 3747 1 6 . 1 1 69 69 ARG HA H 69 4.134 4.134 4.002 0.132 18518 3748 1 6 . 1 1 69 69 ARG C C 69 180.262 180.262 179.059 1.203 18518 3749 1 6 . 1 1 69 69 ARG CA C 69 58.707 58.707 59.451 -0.744 18518 3750 1 6 . 1 1 69 69 ARG CB C 69 29.953 29.953 30.154 -0.201 18518 3751 1 6 . 1 1 69 69 ARG H H 69 7.497 7.497 8.294 -0.797 18518 3752 1 6 . 1 1 70 70 ARG N N 70 123.297 123.297 119.581 3.716 18518 3753 1 6 . 1 1 70 70 ARG HA H 70 4.016 4.016 4.092 -0.076 18518 3754 1 6 . 1 1 70 70 ARG C C 70 178.700 178.700 178.292 0.408 18518 3755 1 6 . 1 1 70 70 ARG CA C 70 59.460 59.460 58.720 0.740 18518 3756 1 6 . 1 1 70 70 ARG CB C 70 30.312 30.312 29.730 0.582 18518 3757 1 6 . 1 1 70 70 ARG H H 70 8.075 8.075 7.901 0.174 18518 3758 1 6 . 1 1 71 71 LEU N N 71 116.829 116.829 118.967 -2.138 18518 3759 1 6 . 1 1 71 71 LEU HA H 71 4.065 4.065 4.259 -0.194 18518 3760 1 6 . 1 1 71 71 LEU C C 71 174.956 174.956 175.859 -0.903 18518 3761 1 6 . 1 1 71 71 LEU CA C 71 55.126 55.126 54.738 0.388 18518 3762 1 6 . 1 1 71 71 LEU CB C 71 43.246 43.246 42.385 0.862 18518 3763 1 6 . 1 1 71 71 LEU H H 71 7.719 7.719 7.936 -0.217 18518 3764 1 6 . 1 1 72 72 GLN N N 72 114.991 114.991 115.829 -0.838 18518 3765 1 6 . 1 1 72 72 GLN HA H 72 3.836 3.836 3.876 -0.040 18518 3766 1 6 . 1 1 72 72 GLN C C 72 175.683 175.683 175.231 0.452 18518 3767 1 6 . 1 1 72 72 GLN CA C 72 56.325 56.325 56.295 0.030 18518 3768 1 6 . 1 1 72 72 GLN CB C 72 26.004 26.004 25.640 0.364 18518 3769 1 6 . 1 1 72 72 GLN H H 72 7.744 7.744 7.418 0.326 18518 3770 1 6 . 1 1 73 73 LEU N N 73 115.045 115.045 119.194 -4.149 18518 3771 1 6 . 1 1 73 73 LEU HA H 73 4.236 4.236 4.017 0.219 18518 3772 1 6 . 1 1 73 73 LEU C C 73 178.762 178.762 177.240 1.522 18518 3773 1 6 . 1 1 73 73 LEU CA C 73 54.386 54.386 55.333 -0.947 18518 3774 1 6 . 1 1 73 73 LEU CB C 73 42.091 42.091 41.534 0.557 18518 3775 1 6 . 1 1 73 73 LEU H H 73 7.500 7.500 7.632 -0.132 18518 3776 1 6 . 1 1 74 74 ASN N N 74 121.700 121.700 122.485 -0.785 18518 3777 1 6 . 1 1 74 74 ASN HA H 74 4.690 4.690 4.605 0.085 18518 3778 1 6 . 1 1 74 74 ASN C C 74 176.617 176.617 175.387 1.230 18518 3779 1 6 . 1 1 74 74 ASN CA C 74 52.685 52.685 53.494 -0.809 18518 3780 1 6 . 1 1 74 74 ASN CB C 74 39.598 39.598 39.602 -0.004 18518 3781 1 6 . 1 1 74 74 ASN H H 74 9.045 9.045 8.399 0.646 18518 3782 1 6 . 1 1 75 75 ALA N N 75 123.952 123.952 121.323 2.629 18518 3783 1 6 . 1 1 75 75 ALA HA H 75 3.964 3.964 4.368 -0.404 18518 3784 1 6 . 1 1 75 75 ALA C C 75 178.131 178.131 177.306 0.825 18518 3785 1 6 . 1 1 75 75 ALA CA C 75 54.868 54.868 53.637 1.231 18518 3786 1 6 . 1 1 75 75 ALA CB C 75 18.718 18.718 19.450 -0.732 18518 3787 1 6 . 1 1 75 75 ALA H H 75 8.784 8.784 8.463 0.321 18518 3788 1 6 . 1 1 76 76 ASN N N 76 112.295 112.295 115.570 -3.275 18518 3789 1 6 . 1 1 76 76 ASN HA H 76 4.580 4.580 4.639 -0.059 18518 3790 1 6 . 1 1 76 76 ASN C C 76 175.448 175.448 175.370 0.078 18518 3791 1 6 . 1 1 76 76 ASN CA C 76 53.214 53.214 53.505 -0.291 18518 3792 1 6 . 1 1 76 76 ASN CB C 76 38.320 38.320 38.465 -0.145 18518 3793 1 6 . 1 1 76 76 ASN H H 76 8.391 8.391 8.312 0.079 18518 3794 1 6 . 1 1 77 77 GLN N N 77 120.577 120.577 118.904 1.673 18518 3795 1 6 . 1 1 77 77 GLN HA H 77 4.273 4.273 4.510 -0.237 18518 3796 1 6 . 1 1 77 77 GLN C C 77 175.045 175.045 174.110 0.935 18518 3797 1 6 . 1 1 77 77 GLN CA C 77 55.805 55.805 54.897 0.908 18518 3798 1 6 . 1 1 77 77 GLN CB C 77 30.157 30.157 30.160 -0.003 18518 3799 1 6 . 1 1 77 77 GLN H H 77 7.552 7.552 7.687 -0.135 18518 3800 1 6 . 1 1 78 78 ALA N N 78 130.670 130.670 125.302 5.368 18518 3801 1 6 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.491 -0.320 18518 3802 1 6 . 1 1 78 78 ALA C C 78 176.512 176.512 175.746 0.766 18518 3803 1 6 . 1 1 78 78 ALA CA C 78 52.842 52.842 51.414 1.428 18518 3804 1 6 . 1 1 78 78 ALA CB C 78 20.060 20.060 20.806 -0.746 18518 3805 1 6 . 1 1 78 78 ALA H H 78 8.799 8.799 8.366 0.433 18518 3806 1 6 . 1 1 79 79 PHE N N 79 119.325 119.325 116.982 2.343 18518 3807 1 6 . 1 1 79 79 PHE HA H 79 4.434 4.434 4.798 -0.364 18518 3808 1 6 . 1 1 79 79 PHE C C 79 171.726 171.726 172.818 -1.092 18518 3809 1 6 . 1 1 79 79 PHE CA C 79 59.145 59.145 55.691 3.454 18518 3810 1 6 . 1 1 79 79 PHE CB C 79 42.171 42.171 41.078 1.093 18518 3811 1 6 . 1 1 79 79 PHE H H 79 7.664 7.664 8.049 -0.385 18518 3812 1 6 . 1 1 80 80 PHE N N 80 126.314 126.314 117.548 8.766 18518 3813 1 6 . 1 1 80 80 PHE HA H 80 4.392 4.392 4.336 0.056 18518 3814 1 6 . 1 1 80 80 PHE C C 80 177.169 177.169 173.129 4.040 18518 3815 1 6 . 1 1 80 80 PHE CA C 80 56.653 56.653 56.389 0.264 18518 3816 1 6 . 1 1 80 80 PHE CB C 80 41.933 41.933 43.021 -1.088 18518 3817 1 6 . 1 1 80 80 PHE H H 80 8.508 8.508 8.939 -0.431 18518 3818 1 6 . 1 1 81 81 LEU N N 81 121.426 121.426 122.908 -1.482 18518 3819 1 6 . 1 1 81 81 LEU HA H 81 4.851 4.851 5.112 -0.261 18518 3820 1 6 . 1 1 81 81 LEU C C 81 174.488 174.488 175.089 -0.601 18518 3821 1 6 . 1 1 81 81 LEU CA C 81 53.197 53.197 54.074 -0.877 18518 3822 1 6 . 1 1 81 81 LEU CB C 81 45.100 45.100 44.010 1.090 18518 3823 1 6 . 1 1 81 81 LEU H H 81 8.229 8.229 8.349 -0.120 18518 3824 1 6 . 1 1 82 82 LEU N N 82 125.155 125.155 126.987 -1.832 18518 3825 1 6 . 1 1 82 82 LEU HA H 82 4.833 4.833 4.595 0.238 18518 3826 1 6 . 1 1 82 82 LEU C C 82 177.166 177.166 175.334 1.832 18518 3827 1 6 . 1 1 82 82 LEU CA C 82 54.197 54.197 53.567 0.630 18518 3828 1 6 . 1 1 82 82 LEU CB C 82 43.442 43.442 44.592 -1.150 18518 3829 1 6 . 1 1 82 82 LEU H H 82 9.400 9.400 9.023 0.377 18518 3830 1 6 . 1 1 83 83 VAL N N 83 123.886 123.886 122.054 1.832 18518 3831 1 6 . 1 1 83 83 VAL HA H 83 4.379 4.379 4.375 0.004 18518 3832 1 6 . 1 1 83 83 VAL C C 83 175.810 175.810 176.938 -1.128 18518 3833 1 6 . 1 1 83 83 VAL CA C 83 61.677 61.677 62.192 -0.515 18518 3834 1 6 . 1 1 83 83 VAL CB C 83 33.758 33.758 31.611 2.147 18518 3835 1 6 . 1 1 83 83 VAL H H 83 8.721 8.721 8.244 0.477 18518 3836 1 6 . 1 1 84 84 ASN N N 84 126.474 126.474 127.833 -1.359 18518 3837 1 6 . 1 1 84 84 ASN HA H 84 4.396 4.396 4.513 -0.117 18518 3838 1 6 . 1 1 84 84 ASN C C 84 175.164 175.164 175.188 -0.024 18518 3839 1 6 . 1 1 84 84 ASN CA C 84 54.738 54.738 55.194 -0.457 18518 3840 1 6 . 1 1 84 84 ASN CB C 84 37.950 37.950 38.197 -0.247 18518 3841 1 6 . 1 1 84 84 ASN H H 84 9.707 9.707 9.577 0.130 18518 3842 1 6 . 1 1 85 85 GLY N N 85 101.296 101.296 105.165 -3.869 18518 3843 1 6 . 1 1 85 85 GLY C C 85 173.680 173.680 172.806 0.874 18518 3844 1 6 . 1 1 85 85 GLY CA C 85 45.603 45.603 45.159 0.444 18518 3845 1 6 . 1 1 85 85 GLY H H 85 8.644 8.644 8.521 0.123 18518 3846 1 6 . 1 1 86 86 HIS N N 86 117.238 117.238 114.830 2.408 18518 3847 1 6 . 1 1 86 86 HIS HA H 86 5.017 5.017 4.960 0.057 18518 3848 1 6 . 1 1 86 86 HIS C C 86 173.841 173.841 173.400 0.441 18518 3849 1 6 . 1 1 86 86 HIS CA C 86 53.796 53.796 53.234 0.562 18518 3850 1 6 . 1 1 86 86 HIS CB C 86 31.280 31.280 32.669 -1.389 18518 3851 1 6 . 1 1 86 86 HIS H H 86 7.918 7.918 8.178 -0.260 18518 3852 1 6 . 1 1 87 87 SER N N 87 118.179 118.179 119.053 -0.874 18518 3853 1 6 . 1 1 87 87 SER HA H 87 4.699 4.699 4.577 0.122 18518 3854 1 6 . 1 1 87 87 SER C C 87 175.904 175.904 174.400 1.504 18518 3855 1 6 . 1 1 87 87 SER CA C 87 58.271 58.271 57.625 0.646 18518 3856 1 6 . 1 1 87 87 SER CB C 87 63.735 63.735 62.525 1.210 18518 3857 1 6 . 1 1 87 87 SER H H 87 8.977 8.977 8.867 0.110 18518 3858 1 6 . 1 1 88 88 MET N N 88 125.472 125.472 122.544 2.928 18518 3859 1 6 . 1 1 88 88 MET HA H 88 4.830 4.830 4.661 0.169 18518 3860 1 6 . 1 1 88 88 MET C C 88 176.419 176.419 175.591 0.828 18518 3861 1 6 . 1 1 88 88 MET CA C 88 54.899 54.899 56.176 -1.278 18518 3862 1 6 . 1 1 88 88 MET CB C 88 33.336 33.336 33.427 -0.091 18518 3863 1 6 . 1 1 88 88 MET H H 88 9.184 9.184 7.778 1.406 18518 3864 1 6 . 1 1 89 89 VAL N N 89 120.747 120.747 121.519 -0.772 18518 3865 1 6 . 1 1 89 89 VAL HA H 89 4.232 4.232 4.316 -0.084 18518 3866 1 6 . 1 1 89 89 VAL C C 89 175.958 175.958 176.209 -0.251 18518 3867 1 6 . 1 1 89 89 VAL CA C 89 63.154 63.154 60.727 2.427 18518 3868 1 6 . 1 1 89 89 VAL CB C 89 31.878 31.878 33.671 -1.793 18518 3869 1 6 . 1 1 89 89 VAL H H 89 8.233 8.233 7.386 0.847 18518 3870 1 6 . 1 1 90 90 SER N N 90 117.362 117.362 118.501 -1.139 18518 3871 1 6 . 1 1 90 90 SER HA H 90 4.590 4.590 4.398 0.192 18518 3872 1 6 . 1 1 90 90 SER C C 90 175.741 175.741 175.624 0.117 18518 3873 1 6 . 1 1 90 90 SER CA C 90 57.717 57.717 58.524 -0.807 18518 3874 1 6 . 1 1 90 90 SER CB C 90 63.223 63.223 63.507 -0.284 18518 3875 1 6 . 1 1 90 90 SER H H 90 8.482 8.482 8.490 -0.008 18518 3876 1 6 . 1 1 91 91 VAL N N 91 120.466 120.466 115.432 5.034 18518 3877 1 6 . 1 1 91 91 VAL HA H 91 4.047 4.047 4.286 -0.239 18518 3878 1 6 . 1 1 91 91 VAL C C 91 176.329 176.329 175.023 1.306 18518 3879 1 6 . 1 1 91 91 VAL CA C 91 63.492 63.492 63.375 0.117 18518 3880 1 6 . 1 1 91 91 VAL CB C 91 32.568 32.568 31.802 0.766 18518 3881 1 6 . 1 1 91 91 VAL H H 91 8.188 8.188 8.410 -0.222 18518 3882 1 6 . 1 1 92 92 SER N N 92 116.398 116.398 113.358 3.040 18518 3883 1 6 . 1 1 92 92 SER HA H 92 4.636 4.636 4.701 -0.065 18518 3884 1 6 . 1 1 92 92 SER C C 92 174.159 174.159 174.467 -0.308 18518 3885 1 6 . 1 1 92 92 SER CA C 92 57.805 57.805 57.145 0.659 18518 3886 1 6 . 1 1 92 92 SER CB C 92 63.046 63.046 63.921 -0.875 18518 3887 1 6 . 1 1 92 92 SER H H 92 8.370 8.370 7.898 0.472 18518 3888 1 6 . 1 1 93 93 THR N N 93 119.211 119.211 119.550 -0.339 18518 3889 1 6 . 1 1 93 93 THR HA H 93 4.484 4.484 4.628 -0.144 18518 3890 1 6 . 1 1 93 93 THR CA C 93 60.884 60.884 61.061 -0.177 18518 3891 1 6 . 1 1 93 93 THR CB C 93 70.609 70.609 68.987 1.622 18518 3892 1 6 . 1 1 93 93 THR H H 93 7.416 7.416 7.786 -0.370 18518 3893 1 6 . 1 1 94 94 PRO HA H 94 4.440 4.440 4.701 -0.261 18518 3894 1 6 . 1 1 94 94 PRO C C 94 178.775 178.775 177.200 1.575 18518 3895 1 6 . 1 1 94 94 PRO CA C 94 62.943 62.943 62.099 0.844 18518 3896 1 6 . 1 1 94 94 PRO CB C 94 32.649 32.649 32.990 -0.341 18518 3897 1 6 . 1 1 95 95 ILE N N 95 124.174 124.174 121.281 2.893 18518 3898 1 6 . 1 1 95 95 ILE HA H 95 3.949 3.949 3.818 0.131 18518 3899 1 6 . 1 1 95 95 ILE C C 95 176.498 176.498 176.840 -0.342 18518 3900 1 6 . 1 1 95 95 ILE CA C 95 63.904 63.904 63.362 0.542 18518 3901 1 6 . 1 1 95 95 ILE CB C 95 38.182 38.182 38.247 -0.065 18518 3902 1 6 . 1 1 95 95 ILE H H 95 9.305 9.305 8.511 0.794 18518 3903 1 6 . 1 1 96 96 SER N N 96 116.920 116.920 116.405 0.515 18518 3904 1 6 . 1 1 96 96 SER HA H 96 4.029 4.029 4.079 -0.050 18518 3905 1 6 . 1 1 96 96 SER C C 96 176.574 176.574 176.223 0.351 18518 3906 1 6 . 1 1 96 96 SER CA C 96 61.356 61.356 62.044 -0.688 18518 3907 1 6 . 1 1 96 96 SER CB C 96 61.723 61.723 62.443 -0.720 18518 3908 1 6 . 1 1 96 96 SER H H 96 8.335 8.335 8.646 -0.311 18518 3909 1 6 . 1 1 97 97 GLU N N 97 123.255 123.255 122.623 0.632 18518 3910 1 6 . 1 1 97 97 GLU HA H 97 4.278 4.278 4.187 0.091 18518 3911 1 6 . 1 1 97 97 GLU C C 97 179.716 179.716 178.803 0.913 18518 3912 1 6 . 1 1 97 97 GLU CA C 97 58.792 58.792 58.737 0.055 18518 3913 1 6 . 1 1 97 97 GLU CB C 97 29.562 29.562 29.191 0.371 18518 3914 1 6 . 1 1 97 97 GLU H H 97 7.376 7.376 7.899 -0.523 18518 3915 1 6 . 1 1 98 98 VAL N N 98 121.137 121.137 120.534 0.603 18518 3916 1 6 . 1 1 98 98 VAL HA H 98 3.802 3.802 3.678 0.124 18518 3917 1 6 . 1 1 98 98 VAL C C 98 177.637 177.637 177.919 -0.282 18518 3918 1 6 . 1 1 98 98 VAL CA C 98 65.824 65.824 66.610 -0.786 18518 3919 1 6 . 1 1 98 98 VAL CB C 98 32.154 32.154 31.182 0.972 18518 3920 1 6 . 1 1 98 98 VAL H H 98 7.387 7.387 7.829 -0.442 18518 3921 1 6 . 1 1 99 99 TYR N N 99 118.927 118.927 122.075 -3.148 18518 3922 1 6 . 1 1 99 99 TYR HA H 99 3.990 3.990 4.042 -0.052 18518 3923 1 6 . 1 1 99 99 TYR C C 99 176.081 176.081 176.811 -0.730 18518 3924 1 6 . 1 1 99 99 TYR CA C 99 62.223 62.223 62.002 0.221 18518 3925 1 6 . 1 1 99 99 TYR CB C 99 38.982 38.982 38.530 0.452 18518 3926 1 6 . 1 1 99 99 TYR H H 99 9.048 9.048 8.350 0.698 18518 3927 1 6 . 1 1 100 100 GLU N N 100 113.894 113.894 116.183 -2.289 18518 3928 1 6 . 1 1 100 100 GLU HA H 100 3.846 3.846 3.775 0.071 18518 3929 1 6 . 1 1 100 100 GLU C C 100 177.989 177.989 178.268 -0.279 18518 3930 1 6 . 1 1 100 100 GLU CA C 100 59.087 59.087 58.365 0.722 18518 3931 1 6 . 1 1 100 100 GLU CB C 100 29.382 29.382 28.935 0.447 18518 3932 1 6 . 1 1 100 100 GLU H H 100 7.422 7.422 8.077 -0.655 18518 3933 1 6 . 1 1 101 101 SER N N 101 108.991 108.991 114.036 -5.045 18518 3934 1 6 . 1 1 101 101 SER HA H 101 4.524 4.524 4.384 0.140 18518 3935 1 6 . 1 1 101 101 SER C C 101 176.628 176.628 175.918 0.710 18518 3936 1 6 . 1 1 101 101 SER CA C 101 60.349 60.349 59.956 0.392 18518 3937 1 6 . 1 1 101 101 SER CB C 101 64.741 64.741 63.960 0.781 18518 3938 1 6 . 1 1 101 101 SER H H 101 7.424 7.424 7.777 -0.353 18518 3939 1 6 . 1 1 102 102 GLU N N 102 116.533 116.533 119.194 -2.661 18518 3940 1 6 . 1 1 102 102 GLU HA H 102 4.744 4.744 4.604 0.140 18518 3941 1 6 . 1 1 102 102 GLU C C 102 176.774 176.774 176.057 0.717 18518 3942 1 6 . 1 1 102 102 GLU CA C 102 55.581 55.581 54.847 0.734 18518 3943 1 6 . 1 1 102 102 GLU CB C 102 30.697 30.697 30.818 -0.121 18518 3944 1 6 . 1 1 102 102 GLU H H 102 8.487 8.487 8.178 0.309 18518 3945 1 6 . 1 1 103 103 LYS N N 103 118.370 118.370 119.375 -1.005 18518 3946 1 6 . 1 1 103 103 LYS HA H 103 4.178 4.178 3.951 0.227 18518 3947 1 6 . 1 1 103 103 LYS C C 103 175.018 175.018 176.607 -1.589 18518 3948 1 6 . 1 1 103 103 LYS CA C 103 57.329 57.329 56.661 0.668 18518 3949 1 6 . 1 1 103 103 LYS CB C 103 32.186 32.186 31.521 0.665 18518 3950 1 6 . 1 1 103 103 LYS H H 103 7.831 7.831 7.567 0.264 18518 3951 1 6 . 1 1 104 104 ASP N N 104 123.500 123.500 125.744 -2.244 18518 3952 1 6 . 1 1 104 104 ASP HA H 104 4.755 4.755 4.681 0.074 18518 3953 1 6 . 1 1 104 104 ASP C C 104 177.383 177.383 177.690 -0.307 18518 3954 1 6 . 1 1 104 104 ASP CA C 104 53.846 53.846 54.418 -0.572 18518 3955 1 6 . 1 1 104 104 ASP CB C 104 43.411 43.411 42.427 0.984 18518 3956 1 6 . 1 1 104 104 ASP H H 104 9.041 9.041 8.421 0.620 18518 3957 1 6 . 1 1 105 105 GLU N N 105 125.448 125.448 120.647 4.801 18518 3958 1 6 . 1 1 105 105 GLU HA H 105 4.180 4.180 4.117 0.063 18518 3959 1 6 . 1 1 105 105 GLU C C 105 177.519 177.519 176.624 0.895 18518 3960 1 6 . 1 1 105 105 GLU CA C 105 59.529 59.529 58.922 0.607 18518 3961 1 6 . 1 1 105 105 GLU CB C 105 30.044 30.044 29.770 0.275 18518 3962 1 6 . 1 1 105 105 GLU H H 105 8.906 8.906 8.891 0.015 18518 3963 1 6 . 1 1 106 106 ASP N N 106 118.824 118.824 116.977 1.847 18518 3964 1 6 . 1 1 106 106 ASP HA H 106 4.179 4.179 4.362 -0.183 18518 3965 1 6 . 1 1 106 106 ASP C C 106 176.223 176.223 176.324 -0.101 18518 3966 1 6 . 1 1 106 106 ASP CA C 106 54.756 54.756 55.272 -0.516 18518 3967 1 6 . 1 1 106 106 ASP CB C 106 39.999 39.999 41.018 -1.019 18518 3968 1 6 . 1 1 106 106 ASP H H 106 10.036 10.036 8.308 1.728 18518 3969 1 6 . 1 1 107 107 GLY N N 107 105.866 105.866 105.396 0.470 18518 3970 1 6 . 1 1 107 107 GLY C C 107 175.136 175.136 173.566 1.570 18518 3971 1 6 . 1 1 107 107 GLY CA C 107 45.222 45.222 45.110 0.112 18518 3972 1 6 . 1 1 107 107 GLY H H 107 8.001 8.001 8.060 -0.059 18518 3973 1 6 . 1 1 108 108 PHE N N 108 123.820 123.820 119.149 4.671 18518 3974 1 6 . 1 1 108 108 PHE HA H 108 4.662 4.662 5.255 -0.593 18518 3975 1 6 . 1 1 108 108 PHE C C 108 174.899 174.899 174.796 0.103 18518 3976 1 6 . 1 1 108 108 PHE CA C 108 60.238 60.238 57.774 2.464 18518 3977 1 6 . 1 1 108 108 PHE CB C 108 40.365 40.365 40.995 -0.630 18518 3978 1 6 . 1 1 108 108 PHE H H 108 9.912 9.912 7.856 2.055 18518 3979 1 6 . 1 1 109 109 LEU N N 109 120.130 120.130 120.440 -0.310 18518 3980 1 6 . 1 1 109 109 LEU HA H 109 5.030 5.030 5.065 -0.035 18518 3981 1 6 . 1 1 109 109 LEU C C 109 173.916 173.916 174.828 -0.912 18518 3982 1 6 . 1 1 109 109 LEU CA C 109 53.424 53.424 53.598 -0.174 18518 3983 1 6 . 1 1 109 109 LEU CB C 109 45.203 45.203 45.360 -0.157 18518 3984 1 6 . 1 1 109 109 LEU H H 109 7.997 7.997 8.688 -0.691 18518 3985 1 6 . 1 1 110 110 TYR N N 110 126.579 126.579 126.301 0.278 18518 3986 1 6 . 1 1 110 110 TYR HA H 110 5.003 5.003 4.801 0.202 18518 3987 1 6 . 1 1 110 110 TYR C C 110 176.671 176.671 175.542 1.129 18518 3988 1 6 . 1 1 110 110 TYR CA C 110 59.058 59.058 57.907 1.151 18518 3989 1 6 . 1 1 110 110 TYR CB C 110 39.556 39.556 39.257 0.299 18518 3990 1 6 . 1 1 110 110 TYR H H 110 9.377 9.377 9.103 0.274 18518 3991 1 6 . 1 1 111 111 MET N N 111 119.240 119.240 123.224 -3.984 18518 3992 1 6 . 1 1 111 111 MET HA H 111 5.486 5.486 5.131 0.355 18518 3993 1 6 . 1 1 111 111 MET C C 111 175.695 175.695 174.478 1.217 18518 3994 1 6 . 1 1 111 111 MET CA C 111 54.124 54.124 54.961 -0.837 18518 3995 1 6 . 1 1 111 111 MET CB C 111 36.960 36.960 36.908 0.052 18518 3996 1 6 . 1 1 111 111 MET H H 111 9.658 9.658 9.151 0.507 18518 3997 1 6 . 1 1 112 112 VAL N N 112 119.865 119.865 121.475 -1.610 18518 3998 1 6 . 1 1 112 112 VAL HA H 112 5.963 5.963 5.395 0.568 18518 3999 1 6 . 1 1 112 112 VAL C C 112 175.058 175.058 174.708 0.350 18518 4000 1 6 . 1 1 112 112 VAL CA C 112 58.911 58.911 60.233 -1.321 18518 4001 1 6 . 1 1 112 112 VAL CB C 112 36.051 36.051 34.950 1.101 18518 4002 1 6 . 1 1 112 112 VAL H H 112 8.794 8.794 9.175 -0.381 18518 4003 1 6 . 1 1 113 113 TYR N N 113 119.664 119.664 122.313 -2.649 18518 4004 1 6 . 1 1 113 113 TYR HA H 113 6.118 6.118 5.675 0.443 18518 4005 1 6 . 1 1 113 113 TYR C C 113 173.375 173.375 173.704 -0.329 18518 4006 1 6 . 1 1 113 113 TYR CA C 113 54.153 54.153 55.053 -0.901 18518 4007 1 6 . 1 1 113 113 TYR CB C 113 43.312 43.312 41.714 1.598 18518 4008 1 6 . 1 1 113 113 TYR H H 113 8.315 8.315 8.609 -0.294 18518 4009 1 6 . 1 1 114 114 ALA N N 114 119.763 119.763 123.933 -4.170 18518 4010 1 6 . 1 1 114 114 ALA HA H 114 4.800 4.800 4.994 -0.194 18518 4011 1 6 . 1 1 114 114 ALA C C 114 176.216 176.216 175.258 0.958 18518 4012 1 6 . 1 1 114 114 ALA CA C 114 51.132 51.132 51.728 -0.596 18518 4013 1 6 . 1 1 114 114 ALA CB C 114 24.596 24.596 22.483 2.113 18518 4014 1 6 . 1 1 114 114 ALA H H 114 8.465 8.465 8.943 -0.478 18518 4015 1 6 . 1 1 115 115 SER N N 115 114.763 114.763 115.871 -1.108 18518 4016 1 6 . 1 1 115 115 SER HA H 115 4.496 4.496 4.920 -0.424 18518 4017 1 6 . 1 1 115 115 SER C C 115 172.671 172.671 173.705 -1.034 18518 4018 1 6 . 1 1 115 115 SER CA C 115 58.651 58.651 57.320 1.331 18518 4019 1 6 . 1 1 115 115 SER CB C 115 63.526 63.526 61.357 2.169 18518 4020 1 6 . 1 1 115 115 SER H H 115 9.915 9.915 9.002 0.913 18518 4021 1 6 . 1 1 116 116 GLN N N 116 116.611 116.611 123.448 -6.837 18518 4022 1 6 . 1 1 116 116 GLN HA H 116 4.484 4.484 4.425 0.059 18518 4023 1 6 . 1 1 116 116 GLN C C 116 172.733 172.733 173.647 -0.914 18518 4024 1 6 . 1 1 116 116 GLN CA C 116 53.926 53.926 55.829 -1.903 18518 4025 1 6 . 1 1 116 116 GLN CB C 116 32.358 32.358 31.280 1.078 18518 4026 1 6 . 1 1 116 116 GLN H H 116 7.219 7.219 7.833 -0.614 18518 4027 1 6 . 1 1 117 117 GLU N N 117 117.623 117.623 120.281 -2.658 18518 4028 1 6 . 1 1 117 117 GLU HA H 117 3.287 3.287 3.263 0.024 18518 4029 1 6 . 1 1 117 117 GLU C C 117 175.168 175.168 175.574 -0.406 18518 4030 1 6 . 1 1 117 117 GLU CA C 117 56.882 56.882 56.834 0.048 18518 4031 1 6 . 1 1 117 117 GLU CB C 117 30.522 30.522 29.386 1.136 18518 4032 1 6 . 1 1 117 117 GLU H H 117 7.882 7.882 8.272 -0.390 18518 4033 1 6 . 1 1 118 118 THR N N 118 109.820 109.820 111.226 -1.406 18518 4034 1 6 . 1 1 118 118 THR HA H 118 4.066 4.066 4.325 -0.259 18518 4035 1 6 . 1 1 118 118 THR C C 118 172.355 172.355 173.753 -1.398 18518 4036 1 6 . 1 1 118 118 THR CA C 118 60.029 60.029 60.867 -0.839 18518 4037 1 6 . 1 1 118 118 THR CB C 118 70.480 70.480 69.323 1.157 18518 4038 1 6 . 1 1 118 118 THR H H 118 6.992 6.992 7.296 -0.304 18518 4039 1 7 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.665 -0.329 18518 4040 1 7 . 1 1 2 2 ALA C C 2 177.974 177.974 176.693 1.281 18518 4041 1 7 . 1 1 2 2 ALA CA C 2 52.785 52.785 52.234 0.551 18518 4042 1 7 . 1 1 2 2 ALA CB C 2 19.444 19.444 19.198 0.246 18518 4043 1 7 . 1 1 3 3 MET N N 3 119.311 119.311 122.932 -3.621 18518 4044 1 7 . 1 1 3 3 MET HA H 3 4.451 4.451 4.596 -0.145 18518 4045 1 7 . 1 1 3 3 MET C C 3 176.913 176.913 175.577 1.336 18518 4046 1 7 . 1 1 3 3 MET CA C 3 55.679 55.679 55.142 0.537 18518 4047 1 7 . 1 1 3 3 MET CB C 3 32.590 32.590 35.402 -2.812 18518 4048 1 7 . 1 1 3 3 MET H H 3 8.638 8.638 8.443 0.195 18518 4049 1 7 . 1 1 4 4 GLY N N 4 110.281 110.281 110.396 -0.115 18518 4050 1 7 . 1 1 4 4 GLY C C 4 174.180 174.180 173.785 0.395 18518 4051 1 7 . 1 1 4 4 GLY CA C 4 45.495 45.495 44.842 0.653 18518 4052 1 7 . 1 1 4 4 GLY H H 4 8.552 8.552 8.563 -0.011 18518 4053 1 7 . 1 1 5 5 LYS N N 5 120.818 120.818 125.710 -4.892 18518 4054 1 7 . 1 1 5 5 LYS HA H 5 4.509 4.509 4.779 -0.270 18518 4055 1 7 . 1 1 5 5 LYS C C 5 177.605 177.605 176.646 0.959 18518 4056 1 7 . 1 1 5 5 LYS CA C 5 56.134 56.134 54.584 1.550 18518 4057 1 7 . 1 1 5 5 LYS CB C 5 34.813 34.813 31.841 2.972 18518 4058 1 7 . 1 1 5 5 LYS H H 5 8.133 8.133 8.289 -0.156 18518 4059 1 7 . 1 1 6 6 THR N N 6 114.781 114.781 119.599 -4.818 18518 4060 1 7 . 1 1 6 6 THR HA H 6 4.421 4.421 4.337 0.084 18518 4061 1 7 . 1 1 6 6 THR C C 6 175.524 175.524 175.874 -0.350 18518 4062 1 7 . 1 1 6 6 THR CA C 6 61.127 61.127 62.697 -1.570 18518 4063 1 7 . 1 1 6 6 THR CB C 6 69.926 69.926 69.987 -0.061 18518 4064 1 7 . 1 1 6 6 THR H H 6 8.483 8.483 8.334 0.149 18518 4065 1 7 . 1 1 7 7 PHE N N 7 125.552 125.552 122.496 3.056 18518 4066 1 7 . 1 1 7 7 PHE HA H 7 4.005 4.005 4.061 -0.056 18518 4067 1 7 . 1 1 7 7 PHE C C 7 177.397 177.397 176.813 0.584 18518 4068 1 7 . 1 1 7 7 PHE CA C 7 63.393 63.393 61.904 1.489 18518 4069 1 7 . 1 1 7 7 PHE CB C 7 39.567 39.567 38.059 1.508 18518 4070 1 7 . 1 1 7 7 PHE H H 7 10.245 10.245 9.240 1.005 18518 4071 1 7 . 1 1 8 8 LYS N N 8 114.053 114.053 117.162 -3.109 18518 4072 1 7 . 1 1 8 8 LYS HA H 8 3.835 3.835 3.817 0.018 18518 4073 1 7 . 1 1 8 8 LYS C C 8 175.520 175.520 178.123 -2.603 18518 4074 1 7 . 1 1 8 8 LYS CA C 8 59.993 59.993 57.937 2.056 18518 4075 1 7 . 1 1 8 8 LYS CB C 8 33.689 33.689 30.868 2.821 18518 4076 1 7 . 1 1 8 8 LYS H H 8 8.775 8.775 6.873 1.902 18518 4077 1 7 . 1 1 9 9 GLN N N 9 113.516 113.516 118.199 -4.683 18518 4078 1 7 . 1 1 9 9 GLN HA H 9 4.149 4.149 4.064 0.085 18518 4079 1 7 . 1 1 9 9 GLN C C 9 177.615 177.615 177.764 -0.149 18518 4080 1 7 . 1 1 9 9 GLN CA C 9 56.819 56.819 58.088 -1.269 18518 4081 1 7 . 1 1 9 9 GLN CB C 9 30.019 30.019 28.977 1.042 18518 4082 1 7 . 1 1 9 9 GLN H H 9 7.355 7.355 7.710 -0.355 18518 4083 1 7 . 1 1 10 10 ARG N N 10 118.294 118.294 116.304 1.990 18518 4084 1 7 . 1 1 10 10 ARG HA H 10 4.302 4.302 4.210 0.092 18518 4085 1 7 . 1 1 10 10 ARG C C 10 179.380 179.380 177.356 2.024 18518 4086 1 7 . 1 1 10 10 ARG CA C 10 57.268 57.268 57.126 0.142 18518 4087 1 7 . 1 1 10 10 ARG CB C 10 31.642 31.642 30.696 0.946 18518 4088 1 7 . 1 1 10 10 ARG H H 10 7.936 7.936 7.696 0.240 18518 4089 1 7 . 1 1 11 11 ARG N N 11 121.137 121.137 119.603 1.534 18518 4090 1 7 . 1 1 11 11 ARG HA H 11 4.680 4.680 4.646 0.034 18518 4091 1 7 . 1 1 11 11 ARG CA C 11 53.453 53.453 55.042 -1.589 18518 4092 1 7 . 1 1 11 11 ARG CB C 11 32.938 32.938 31.919 1.019 18518 4093 1 7 . 1 1 11 11 ARG H H 11 7.390 7.390 7.646 -0.256 18518 4094 1 7 . 1 1 12 12 THR N N 12 116.819 116.819 119.075 -2.256 18518 4095 1 7 . 1 1 12 12 THR HA H 12 4.359 4.359 4.213 0.146 18518 4096 1 7 . 1 1 12 12 THR C C 12 174.989 174.989 176.166 -1.177 18518 4097 1 7 . 1 1 12 12 THR CA C 12 61.748 61.748 63.002 -1.254 18518 4098 1 7 . 1 1 12 12 THR CB C 12 71.068 71.068 70.031 1.036 18518 4099 1 7 . 1 1 12 12 THR H H 12 8.953 8.953 8.519 0.434 18518 4100 1 7 . 1 1 13 13 PHE N N 13 123.200 123.200 121.811 1.389 18518 4101 1 7 . 1 1 13 13 PHE HA H 13 4.028 4.028 4.205 -0.177 18518 4102 1 7 . 1 1 13 13 PHE C C 13 176.029 176.029 176.961 -0.932 18518 4103 1 7 . 1 1 13 13 PHE CA C 13 62.864 62.864 62.636 0.228 18518 4104 1 7 . 1 1 13 13 PHE CB C 13 39.560 39.560 39.305 0.255 18518 4105 1 7 . 1 1 13 13 PHE H H 13 9.284 9.284 9.016 0.268 18518 4106 1 7 . 1 1 14 14 GLU N N 14 115.414 115.414 117.984 -2.570 18518 4107 1 7 . 1 1 14 14 GLU HA H 14 3.794 3.794 3.983 -0.189 18518 4108 1 7 . 1 1 14 14 GLU C C 14 180.081 180.081 179.049 1.032 18518 4109 1 7 . 1 1 14 14 GLU CA C 14 60.619 60.619 59.940 0.679 18518 4110 1 7 . 1 1 14 14 GLU CB C 14 28.852 28.852 28.437 0.415 18518 4111 1 7 . 1 1 14 14 GLU H H 14 8.973 8.973 8.799 0.174 18518 4112 1 7 . 1 1 15 15 GLN N N 15 119.276 119.276 119.103 0.173 18518 4113 1 7 . 1 1 15 15 GLN HA H 15 4.000 4.000 4.126 -0.126 18518 4114 1 7 . 1 1 15 15 GLN C C 15 177.978 177.978 178.855 -0.877 18518 4115 1 7 . 1 1 15 15 GLN CA C 15 58.835 58.835 58.531 0.304 18518 4116 1 7 . 1 1 15 15 GLN CB C 15 29.370 29.370 28.094 1.276 18518 4117 1 7 . 1 1 15 15 GLN H H 15 7.756 7.756 8.602 -0.846 18518 4118 1 7 . 1 1 16 16 ARG N N 16 121.336 121.336 120.346 0.990 18518 4119 1 7 . 1 1 16 16 ARG HA H 16 4.270 4.270 4.198 0.072 18518 4120 1 7 . 1 1 16 16 ARG C C 16 177.416 177.416 178.679 -1.263 18518 4121 1 7 . 1 1 16 16 ARG CA C 16 61.375 61.375 59.730 1.645 18518 4122 1 7 . 1 1 16 16 ARG CB C 16 30.605 30.605 30.323 0.282 18518 4123 1 7 . 1 1 16 16 ARG H H 16 8.645 8.645 8.051 0.594 18518 4124 1 7 . 1 1 17 17 VAL N N 17 117.630 117.630 121.151 -3.521 18518 4125 1 7 . 1 1 17 17 VAL HA H 17 3.857 3.857 3.504 0.353 18518 4126 1 7 . 1 1 17 17 VAL C C 17 179.748 179.748 177.264 2.484 18518 4127 1 7 . 1 1 17 17 VAL CA C 17 65.726 65.726 65.938 -0.212 18518 4128 1 7 . 1 1 17 17 VAL CB C 17 32.194 32.194 31.769 0.425 18518 4129 1 7 . 1 1 17 17 VAL H H 17 8.373 8.373 8.274 0.099 18518 4130 1 7 . 1 1 18 18 GLU N N 18 120.864 120.864 119.401 1.463 18518 4131 1 7 . 1 1 18 18 GLU HA H 18 4.302 4.302 3.918 0.384 18518 4132 1 7 . 1 1 18 18 GLU C C 18 177.728 177.728 178.884 -1.156 18518 4133 1 7 . 1 1 18 18 GLU CA C 18 58.486 58.486 59.945 -1.459 18518 4134 1 7 . 1 1 18 18 GLU CB C 18 29.382 29.382 29.266 0.116 18518 4135 1 7 . 1 1 18 18 GLU H H 18 7.368 7.368 8.414 -1.046 18518 4136 1 7 . 1 1 19 19 ASP N N 19 121.425 121.425 120.000 1.425 18518 4137 1 7 . 1 1 19 19 ASP HA H 19 4.434 4.434 4.450 -0.016 18518 4138 1 7 . 1 1 19 19 ASP C C 19 179.978 179.978 178.416 1.562 18518 4139 1 7 . 1 1 19 19 ASP CA C 19 57.422 57.422 57.219 0.203 18518 4140 1 7 . 1 1 19 19 ASP CB C 19 41.287 41.287 40.445 0.842 18518 4141 1 7 . 1 1 19 19 ASP H H 19 8.671 8.671 8.094 0.577 18518 4142 1 7 . 1 1 20 20 VAL N N 20 119.730 119.730 119.799 -0.069 18518 4143 1 7 . 1 1 20 20 VAL HA H 20 3.205 3.205 3.343 -0.138 18518 4144 1 7 . 1 1 20 20 VAL C C 20 176.284 176.284 177.629 -1.345 18518 4145 1 7 . 1 1 20 20 VAL CA C 20 66.315 66.315 66.305 0.010 18518 4146 1 7 . 1 1 20 20 VAL CB C 20 31.107 31.107 31.005 0.102 18518 4147 1 7 . 1 1 20 20 VAL H H 20 7.999 7.999 7.972 0.027 18518 4148 1 7 . 1 1 21 21 ARG N N 21 121.455 121.455 119.414 2.041 18518 4149 1 7 . 1 1 21 21 ARG HA H 21 3.814 3.814 3.951 -0.137 18518 4150 1 7 . 1 1 21 21 ARG C C 21 180.120 180.120 178.576 1.544 18518 4151 1 7 . 1 1 21 21 ARG CA C 21 59.830 59.830 58.826 1.004 18518 4152 1 7 . 1 1 21 21 ARG CB C 21 29.946 29.946 29.153 0.793 18518 4153 1 7 . 1 1 21 21 ARG H H 21 8.098 8.098 7.955 0.143 18518 4154 1 7 . 1 1 22 22 LEU N N 22 117.826 117.826 120.910 -3.084 18518 4155 1 7 . 1 1 22 22 LEU HA H 22 4.049 4.049 3.975 0.074 18518 4156 1 7 . 1 1 22 22 LEU C C 22 180.115 180.115 178.644 1.471 18518 4157 1 7 . 1 1 22 22 LEU CA C 22 57.790 57.790 58.262 -0.472 18518 4158 1 7 . 1 1 22 22 LEU CB C 22 42.142 42.142 41.877 0.265 18518 4159 1 7 . 1 1 22 22 LEU H H 22 8.207 8.207 7.989 0.218 18518 4160 1 7 . 1 1 23 23 ILE N N 23 121.450 121.450 119.136 2.314 18518 4161 1 7 . 1 1 23 23 ILE HA H 23 4.013 4.013 3.659 0.354 18518 4162 1 7 . 1 1 23 23 ILE C C 23 178.149 178.149 178.056 0.093 18518 4163 1 7 . 1 1 23 23 ILE CA C 23 62.171 62.171 64.703 -2.532 18518 4164 1 7 . 1 1 23 23 ILE CB C 23 38.106 38.106 37.663 0.443 18518 4165 1 7 . 1 1 23 23 ILE H H 23 8.105 8.105 8.027 0.078 18518 4166 1 7 . 1 1 24 24 ARG N N 24 121.139 121.139 119.309 1.830 18518 4167 1 7 . 1 1 24 24 ARG HA H 24 3.987 3.987 4.063 -0.076 18518 4168 1 7 . 1 1 24 24 ARG C C 24 178.702 178.702 178.836 -0.134 18518 4169 1 7 . 1 1 24 24 ARG CA C 24 57.718 57.718 58.853 -1.135 18518 4170 1 7 . 1 1 24 24 ARG CB C 24 28.769 28.769 29.761 -0.992 18518 4171 1 7 . 1 1 24 24 ARG H H 24 8.601 8.601 8.264 0.337 18518 4172 1 7 . 1 1 25 25 GLU N N 25 118.054 118.054 118.398 -0.344 18518 4173 1 7 . 1 1 25 25 GLU HA H 25 4.026 4.026 4.162 -0.136 18518 4174 1 7 . 1 1 25 25 GLU C C 25 178.492 178.492 178.342 0.150 18518 4175 1 7 . 1 1 25 25 GLU CA C 25 58.780 58.780 58.257 0.523 18518 4176 1 7 . 1 1 25 25 GLU CB C 25 30.001 30.001 29.583 0.418 18518 4177 1 7 . 1 1 25 25 GLU H H 25 7.423 7.423 7.795 -0.372 18518 4178 1 7 . 1 1 26 26 GLN N N 26 116.350 116.350 116.579 -0.229 18518 4179 1 7 . 1 1 26 26 GLN HA H 26 3.936 3.936 4.052 -0.116 18518 4180 1 7 . 1 1 26 26 GLN C C 26 176.305 176.305 176.819 -0.514 18518 4181 1 7 . 1 1 26 26 GLN CA C 26 57.503 57.503 57.347 0.156 18518 4182 1 7 . 1 1 26 26 GLN CB C 26 30.207 30.207 29.527 0.680 18518 4183 1 7 . 1 1 26 26 GLN H H 26 7.524 7.524 7.724 -0.200 18518 4184 1 7 . 1 1 27 27 HIS N N 27 116.017 116.017 118.430 -2.413 18518 4185 1 7 . 1 1 27 27 HIS HA H 27 4.930 4.930 5.128 -0.198 18518 4186 1 7 . 1 1 27 27 HIS CA C 27 53.054 53.054 52.983 0.070 18518 4187 1 7 . 1 1 27 27 HIS CB C 27 30.747 30.747 29.576 1.171 18518 4188 1 7 . 1 1 27 27 HIS H H 27 8.284 8.284 8.089 0.195 18518 4189 1 7 . 1 1 28 28 PRO HA H 28 4.581 4.581 4.565 0.016 18518 4190 1 7 . 1 1 28 28 PRO CA C 28 64.919 64.919 64.535 0.384 18518 4191 1 7 . 1 1 28 28 PRO CB C 28 32.455 32.455 32.214 0.241 18518 4192 1 7 . 1 1 29 29 THR N N 29 107.011 107.011 105.867 1.144 18518 4193 1 7 . 1 1 29 29 THR HA H 29 4.599 4.599 4.338 0.261 18518 4194 1 7 . 1 1 29 29 THR C C 29 172.884 172.884 174.051 -1.167 18518 4195 1 7 . 1 1 29 29 THR CA C 29 60.810 60.810 61.892 -1.082 18518 4196 1 7 . 1 1 29 29 THR CB C 29 68.531 68.531 68.404 0.127 18518 4197 1 7 . 1 1 29 29 THR H H 29 7.890 7.890 8.181 -0.291 18518 4198 1 7 . 1 1 30 30 LYS N N 30 117.679 117.679 120.613 -2.934 18518 4199 1 7 . 1 1 30 30 LYS HA H 30 4.858 4.858 4.998 -0.140 18518 4200 1 7 . 1 1 30 30 LYS C C 30 174.310 174.310 174.522 -0.212 18518 4201 1 7 . 1 1 30 30 LYS CA C 30 53.751 53.751 53.858 -0.107 18518 4202 1 7 . 1 1 30 30 LYS CB C 30 35.804 35.804 36.298 -0.494 18518 4203 1 7 . 1 1 30 30 LYS H H 30 7.441 7.441 7.661 -0.220 18518 4204 1 7 . 1 1 31 31 ILE N N 31 122.849 122.849 121.853 0.996 18518 4205 1 7 . 1 1 31 31 ILE HA H 31 4.105 4.105 4.278 -0.173 18518 4206 1 7 . 1 1 31 31 ILE CA C 31 54.801 54.801 55.981 -1.180 18518 4207 1 7 . 1 1 31 31 ILE CB C 31 38.265 38.265 38.479 -0.214 18518 4208 1 7 . 1 1 31 31 ILE H H 31 9.304 9.304 8.830 0.474 18518 4209 1 7 . 1 1 32 32 PRO HA H 32 5.159 5.159 4.935 0.224 18518 4210 1 7 . 1 1 32 32 PRO C C 32 174.164 174.164 175.768 -1.604 18518 4211 1 7 . 1 1 32 32 PRO CA C 32 61.503 61.503 62.065 -0.562 18518 4212 1 7 . 1 1 32 32 PRO CB C 32 31.145 31.145 31.021 0.124 18518 4213 1 7 . 1 1 33 33 VAL N N 33 125.606 125.606 126.240 -0.634 18518 4214 1 7 . 1 1 33 33 VAL HA H 33 5.213 5.213 4.843 0.370 18518 4215 1 7 . 1 1 33 33 VAL C C 33 173.654 173.654 173.818 -0.164 18518 4216 1 7 . 1 1 33 33 VAL CA C 33 60.044 60.044 59.667 0.377 18518 4217 1 7 . 1 1 33 33 VAL CB C 33 35.604 35.604 36.010 -0.406 18518 4218 1 7 . 1 1 33 33 VAL H H 33 9.424 9.424 8.513 0.911 18518 4219 1 7 . 1 1 34 34 ILE N N 34 128.241 128.241 128.509 -0.268 18518 4220 1 7 . 1 1 34 34 ILE HA H 34 4.833 4.833 4.691 0.142 18518 4221 1 7 . 1 1 34 34 ILE C C 34 175.605 175.605 174.626 0.979 18518 4222 1 7 . 1 1 34 34 ILE CA C 34 56.765 56.765 58.307 -1.542 18518 4223 1 7 . 1 1 34 34 ILE CB C 34 36.799 36.799 37.957 -1.158 18518 4224 1 7 . 1 1 34 34 ILE H H 34 8.721 8.721 8.925 -0.204 18518 4225 1 7 . 1 1 35 35 ILE N N 35 125.650 125.650 128.772 -3.122 18518 4226 1 7 . 1 1 35 35 ILE HA H 35 4.836 4.836 5.033 -0.197 18518 4227 1 7 . 1 1 35 35 ILE C C 35 174.887 174.887 174.486 0.401 18518 4228 1 7 . 1 1 35 35 ILE CA C 35 60.945 60.945 60.123 0.822 18518 4229 1 7 . 1 1 35 35 ILE CB C 35 39.210 39.210 40.698 -1.488 18518 4230 1 7 . 1 1 35 35 ILE H H 35 9.034 9.034 9.108 -0.074 18518 4231 1 7 . 1 1 36 36 GLU N N 36 122.657 122.657 125.258 -2.601 18518 4232 1 7 . 1 1 36 36 GLU HA H 36 4.861 4.861 4.925 -0.064 18518 4233 1 7 . 1 1 36 36 GLU C C 36 173.848 173.848 174.597 -0.749 18518 4234 1 7 . 1 1 36 36 GLU CA C 36 53.932 53.932 53.971 -0.040 18518 4235 1 7 . 1 1 36 36 GLU CB C 36 35.282 35.282 34.651 0.631 18518 4236 1 7 . 1 1 36 36 GLU H H 36 8.303 8.303 8.401 -0.098 18518 4237 1 7 . 1 1 37 37 ARG N N 37 123.228 123.228 122.894 0.334 18518 4238 1 7 . 1 1 37 37 ARG HA H 37 2.726 2.726 4.188 -1.462 18518 4239 1 7 . 1 1 37 37 ARG C C 37 176.359 176.359 176.079 0.280 18518 4240 1 7 . 1 1 37 37 ARG CA C 37 56.359 56.359 55.868 0.491 18518 4241 1 7 . 1 1 37 37 ARG CB C 37 31.341 31.341 31.303 0.038 18518 4242 1 7 . 1 1 37 37 ARG H H 37 8.856 8.856 8.636 0.220 18518 4243 1 7 . 1 1 38 38 TYR N N 38 128.981 128.981 126.964 2.017 18518 4244 1 7 . 1 1 38 38 TYR HA H 38 4.352 4.352 4.168 0.184 18518 4245 1 7 . 1 1 38 38 TYR C C 38 177.316 177.316 176.484 0.832 18518 4246 1 7 . 1 1 38 38 TYR CA C 38 57.712 57.712 58.388 -0.676 18518 4247 1 7 . 1 1 38 38 TYR CB C 38 39.472 39.472 39.870 -0.398 18518 4248 1 7 . 1 1 38 38 TYR H H 38 8.628 8.628 8.103 0.525 18518 4249 1 7 . 1 1 39 39 LYS N N 39 130.635 130.635 126.282 4.353 18518 4250 1 7 . 1 1 39 39 LYS HA H 39 3.822 3.822 3.749 0.073 18518 4251 1 7 . 1 1 39 39 LYS CA C 39 58.887 58.887 58.235 0.652 18518 4252 1 7 . 1 1 39 39 LYS CB C 39 31.771 31.771 31.947 -0.176 18518 4253 1 7 . 1 1 39 39 LYS H H 39 8.594 8.594 8.055 0.539 18518 4254 1 7 . 1 1 40 40 GLY C C 40 173.447 173.447 174.380 -0.933 18518 4255 1 7 . 1 1 40 40 GLY CA C 40 44.663 44.663 43.854 0.809 18518 4256 1 7 . 1 1 40 40 GLY H H 40 5.188 5.188 6.144 -0.956 18518 4257 1 7 . 1 1 41 41 GLU N N 41 122.836 122.836 121.294 1.542 18518 4258 1 7 . 1 1 41 41 GLU HA H 41 4.257 4.257 4.286 -0.029 18518 4259 1 7 . 1 1 41 41 GLU C C 41 176.524 176.524 176.097 0.427 18518 4260 1 7 . 1 1 41 41 GLU CA C 41 56.525 56.525 56.173 0.352 18518 4261 1 7 . 1 1 41 41 GLU CB C 41 30.985 30.985 30.151 0.835 18518 4262 1 7 . 1 1 41 41 GLU H H 41 7.380 7.380 7.380 -0.000 18518 4263 1 7 . 1 1 42 42 LYS N N 42 124.040 124.040 124.307 -0.267 18518 4264 1 7 . 1 1 42 42 LYS HA H 42 4.675 4.675 4.443 0.232 18518 4265 1 7 . 1 1 42 42 LYS C C 42 177.538 177.538 176.916 0.622 18518 4266 1 7 . 1 1 42 42 LYS CA C 42 55.840 55.840 56.675 -0.835 18518 4267 1 7 . 1 1 42 42 LYS CB C 42 34.979 34.979 33.170 1.809 18518 4268 1 7 . 1 1 42 42 LYS H H 42 9.034 9.034 8.433 0.601 18518 4269 1 7 . 1 1 43 43 GLN N N 43 119.259 119.259 119.069 0.190 18518 4270 1 7 . 1 1 43 43 GLN HA H 43 4.542 4.542 4.475 0.067 18518 4271 1 7 . 1 1 43 43 GLN C C 43 177.336 177.336 176.252 1.084 18518 4272 1 7 . 1 1 43 43 GLN CA C 43 57.673 57.673 56.983 0.691 18518 4273 1 7 . 1 1 43 43 GLN CB C 43 30.782 30.782 30.370 0.412 18518 4274 1 7 . 1 1 43 43 GLN H H 43 8.435 8.435 8.845 -0.410 18518 4275 1 7 . 1 1 44 44 LEU N N 44 120.760 120.760 123.068 -2.308 18518 4276 1 7 . 1 1 44 44 LEU HA H 44 4.695 4.695 4.802 -0.107 18518 4277 1 7 . 1 1 44 44 LEU CA C 44 53.245 53.245 52.530 0.715 18518 4278 1 7 . 1 1 44 44 LEU CB C 44 43.596 43.596 42.814 0.782 18518 4279 1 7 . 1 1 44 44 LEU H H 44 9.126 9.126 8.394 0.732 18518 4280 1 7 . 1 1 45 45 PRO HA H 45 4.717 4.717 4.619 0.098 18518 4281 1 7 . 1 1 45 45 PRO C C 45 175.797 175.797 176.168 -0.371 18518 4282 1 7 . 1 1 45 45 PRO CA C 45 62.111 62.111 62.260 -0.149 18518 4283 1 7 . 1 1 45 45 PRO CB C 45 32.592 32.592 32.475 0.117 18518 4284 1 7 . 1 1 46 46 VAL N N 46 119.052 119.052 120.517 -1.465 18518 4285 1 7 . 1 1 46 46 VAL HA H 46 3.867 3.867 4.799 -0.932 18518 4286 1 7 . 1 1 46 46 VAL C C 46 175.640 175.640 176.609 -0.969 18518 4287 1 7 . 1 1 46 46 VAL CA C 46 62.944 62.944 61.368 1.576 18518 4288 1 7 . 1 1 46 46 VAL CB C 46 32.799 32.799 33.635 -0.836 18518 4289 1 7 . 1 1 46 46 VAL H H 46 8.543 8.543 8.226 0.317 18518 4290 1 7 . 1 1 47 47 LEU N N 47 130.203 130.203 126.104 4.099 18518 4291 1 7 . 1 1 47 47 LEU HA H 47 4.309 4.309 4.546 -0.237 18518 4292 1 7 . 1 1 47 47 LEU C C 47 176.198 176.198 177.394 -1.196 18518 4293 1 7 . 1 1 47 47 LEU CA C 47 55.006 55.006 55.219 -0.213 18518 4294 1 7 . 1 1 47 47 LEU CB C 47 43.832 43.832 42.448 1.384 18518 4295 1 7 . 1 1 47 47 LEU H H 47 7.799 7.799 8.566 -0.767 18518 4296 1 7 . 1 1 48 48 ASP N N 48 122.403 122.403 119.583 2.820 18518 4297 1 7 . 1 1 48 48 ASP HA H 48 4.263 4.263 4.695 -0.432 18518 4298 1 7 . 1 1 48 48 ASP C C 48 175.294 175.294 175.894 -0.600 18518 4299 1 7 . 1 1 48 48 ASP CA C 48 55.832 55.832 55.438 0.395 18518 4300 1 7 . 1 1 48 48 ASP CB C 48 40.184 40.184 41.431 -1.247 18518 4301 1 7 . 1 1 48 48 ASP H H 48 8.780 8.780 8.419 0.361 18518 4302 1 7 . 1 1 49 49 LYS N N 49 119.569 119.569 116.875 2.694 18518 4303 1 7 . 1 1 49 49 LYS HA H 49 4.585 4.585 4.518 0.067 18518 4304 1 7 . 1 1 49 49 LYS C C 49 174.678 174.678 175.773 -1.095 18518 4305 1 7 . 1 1 49 49 LYS CA C 49 53.652 53.652 55.298 -1.646 18518 4306 1 7 . 1 1 49 49 LYS CB C 49 35.945 35.945 34.267 1.678 18518 4307 1 7 . 1 1 49 49 LYS H H 49 7.280 7.280 7.536 -0.256 18518 4308 1 7 . 1 1 50 50 THR N N 50 110.862 110.862 109.503 1.359 18518 4309 1 7 . 1 1 50 50 THR HA H 50 4.811 4.811 4.863 -0.052 18518 4310 1 7 . 1 1 50 50 THR C C 50 172.425 172.425 174.589 -2.164 18518 4311 1 7 . 1 1 50 50 THR CA C 50 62.645 62.645 62.903 -0.258 18518 4312 1 7 . 1 1 50 50 THR CB C 50 71.648 71.648 70.291 1.357 18518 4313 1 7 . 1 1 50 50 THR H H 50 8.042 8.042 8.335 -0.293 18518 4314 1 7 . 1 1 51 51 LYS N N 51 120.008 120.008 122.351 -2.343 18518 4315 1 7 . 1 1 51 51 LYS HA H 51 4.625 4.625 4.575 0.050 18518 4316 1 7 . 1 1 51 51 LYS C C 51 175.082 175.082 175.818 -0.736 18518 4317 1 7 . 1 1 51 51 LYS CA C 51 54.704 54.704 56.720 -2.016 18518 4318 1 7 . 1 1 51 51 LYS CB C 51 32.376 32.376 33.315 -0.939 18518 4319 1 7 . 1 1 51 51 LYS H H 51 7.119 7.119 7.638 -0.519 18518 4320 1 7 . 1 1 52 52 PHE N N 52 122.640 122.640 123.230 -0.590 18518 4321 1 7 . 1 1 52 52 PHE HA H 52 5.337 5.337 4.763 0.574 18518 4322 1 7 . 1 1 52 52 PHE C C 52 174.213 174.213 173.932 0.281 18518 4323 1 7 . 1 1 52 52 PHE CA C 52 56.611 56.611 56.875 -0.264 18518 4324 1 7 . 1 1 52 52 PHE CB C 52 43.140 43.140 43.480 -0.340 18518 4325 1 7 . 1 1 52 52 PHE H H 52 9.709 9.709 9.170 0.539 18518 4326 1 7 . 1 1 53 53 LEU N N 53 122.157 122.157 122.924 -0.767 18518 4327 1 7 . 1 1 53 53 LEU HA H 53 4.947 4.947 4.959 -0.012 18518 4328 1 7 . 1 1 53 53 LEU C C 53 175.769 175.769 175.644 0.125 18518 4329 1 7 . 1 1 53 53 LEU CA C 53 52.957 52.957 53.949 -0.992 18518 4330 1 7 . 1 1 53 53 LEU CB C 53 44.415 44.415 43.774 0.641 18518 4331 1 7 . 1 1 53 53 LEU H H 53 8.959 8.959 8.540 0.419 18518 4332 1 7 . 1 1 54 54 VAL N N 54 124.919 124.919 124.821 0.098 18518 4333 1 7 . 1 1 54 54 VAL HA H 54 4.559 4.559 4.581 -0.022 18518 4334 1 7 . 1 1 54 54 VAL CA C 54 59.130 59.130 59.048 0.082 18518 4335 1 7 . 1 1 54 54 VAL CB C 54 34.968 34.968 34.330 0.638 18518 4336 1 7 . 1 1 54 54 VAL H H 54 8.922 8.922 8.454 0.468 18518 4337 1 7 . 1 1 55 55 PRO HA H 55 4.441 4.441 4.833 -0.392 18518 4338 1 7 . 1 1 55 55 PRO C C 55 176.594 176.594 178.169 -1.575 18518 4339 1 7 . 1 1 55 55 PRO CA C 55 64.315 64.315 62.190 2.126 18518 4340 1 7 . 1 1 55 55 PRO CB C 55 32.665 32.665 32.016 0.649 18518 4341 1 7 . 1 1 56 56 ASP N N 56 120.522 120.522 123.218 -2.696 18518 4342 1 7 . 1 1 56 56 ASP HA H 56 3.862 3.862 4.199 -0.337 18518 4343 1 7 . 1 1 56 56 ASP C C 56 175.809 175.809 176.558 -0.749 18518 4344 1 7 . 1 1 56 56 ASP CA C 56 56.749 56.749 57.447 -0.698 18518 4345 1 7 . 1 1 56 56 ASP CB C 56 40.510 40.510 40.587 -0.077 18518 4346 1 7 . 1 1 56 56 ASP H H 56 8.347 8.347 8.444 -0.097 18518 4347 1 7 . 1 1 57 57 HIS N N 57 113.482 113.482 115.093 -1.611 18518 4348 1 7 . 1 1 57 57 HIS HA H 57 4.720 4.720 4.543 0.177 18518 4349 1 7 . 1 1 57 57 HIS C C 57 176.507 176.507 174.472 2.035 18518 4350 1 7 . 1 1 57 57 HIS CA C 57 55.589 55.589 56.053 -0.464 18518 4351 1 7 . 1 1 57 57 HIS CB C 57 30.643 30.643 29.719 0.924 18518 4352 1 7 . 1 1 57 57 HIS H H 57 7.557 7.557 8.325 -0.768 18518 4353 1 7 . 1 1 58 58 VAL N N 58 123.279 123.279 122.015 1.264 18518 4354 1 7 . 1 1 58 58 VAL HA H 58 3.836 3.836 4.011 -0.175 18518 4355 1 7 . 1 1 58 58 VAL C C 58 175.019 175.019 174.421 0.598 18518 4356 1 7 . 1 1 58 58 VAL CA C 58 62.823 62.823 60.979 1.844 18518 4357 1 7 . 1 1 58 58 VAL CB C 58 32.310 32.310 33.929 -1.619 18518 4358 1 7 . 1 1 58 58 VAL H H 58 7.345 7.345 7.479 -0.134 18518 4359 1 7 . 1 1 59 59 ASN N N 59 123.781 123.781 124.197 -0.416 18518 4360 1 7 . 1 1 59 59 ASN HA H 59 5.126 5.126 5.111 0.015 18518 4361 1 7 . 1 1 59 59 ASN C C 59 176.558 176.558 176.600 -0.042 18518 4362 1 7 . 1 1 59 59 ASN CA C 59 51.485 51.485 52.109 -0.624 18518 4363 1 7 . 1 1 59 59 ASN CB C 59 40.107 40.107 39.809 0.297 18518 4364 1 7 . 1 1 59 59 ASN H H 59 8.735 8.735 8.551 0.184 18518 4365 1 7 . 1 1 60 60 MET N N 60 117.453 117.453 118.935 -1.482 18518 4366 1 7 . 1 1 60 60 MET HA H 60 4.395 4.395 4.097 0.298 18518 4367 1 7 . 1 1 60 60 MET C C 60 178.144 178.144 178.228 -0.084 18518 4368 1 7 . 1 1 60 60 MET CA C 60 57.097 57.097 56.206 0.891 18518 4369 1 7 . 1 1 60 60 MET CB C 60 30.140 30.140 30.389 -0.249 18518 4370 1 7 . 1 1 60 60 MET H H 60 8.227 8.227 8.577 -0.350 18518 4371 1 7 . 1 1 61 61 SER N N 61 114.216 114.216 115.714 -1.498 18518 4372 1 7 . 1 1 61 61 SER HA H 61 4.111 4.111 4.027 0.084 18518 4373 1 7 . 1 1 61 61 SER C C 61 177.335 177.335 176.418 0.917 18518 4374 1 7 . 1 1 61 61 SER CA C 61 61.590 61.590 62.382 -0.792 18518 4375 1 7 . 1 1 61 61 SER CB C 61 62.402 62.402 62.885 -0.483 18518 4376 1 7 . 1 1 61 61 SER H H 61 8.464 8.464 8.532 -0.068 18518 4377 1 7 . 1 1 62 62 GLU N N 62 123.004 123.004 121.430 1.574 18518 4378 1 7 . 1 1 62 62 GLU HA H 62 4.047 4.047 4.084 -0.037 18518 4379 1 7 . 1 1 62 62 GLU C C 62 178.686 178.686 178.552 0.134 18518 4380 1 7 . 1 1 62 62 GLU CA C 62 58.625 58.625 58.816 -0.191 18518 4381 1 7 . 1 1 62 62 GLU CB C 62 29.654 29.654 29.001 0.653 18518 4382 1 7 . 1 1 62 62 GLU H H 62 7.994 7.994 7.731 0.263 18518 4383 1 7 . 1 1 63 63 LEU N N 63 120.818 120.818 122.005 -1.187 18518 4384 1 7 . 1 1 63 63 LEU HA H 63 3.965 3.965 3.981 -0.016 18518 4385 1 7 . 1 1 63 63 LEU C C 63 178.046 178.046 178.526 -0.480 18518 4386 1 7 . 1 1 63 63 LEU CA C 63 57.920 57.920 58.025 -0.105 18518 4387 1 7 . 1 1 63 63 LEU CB C 63 41.624 41.624 41.632 -0.008 18518 4388 1 7 . 1 1 63 63 LEU H H 63 8.130 8.130 7.792 0.338 18518 4389 1 7 . 1 1 64 64 ILE N N 64 118.528 118.528 119.100 -0.572 18518 4390 1 7 . 1 1 64 64 ILE HA H 64 3.369 3.369 3.511 -0.142 18518 4391 1 7 . 1 1 64 64 ILE C C 64 177.127 177.127 177.753 -0.626 18518 4392 1 7 . 1 1 64 64 ILE CA C 64 66.678 66.678 66.042 0.636 18518 4393 1 7 . 1 1 64 64 ILE CB C 64 38.444 38.444 37.553 0.890 18518 4394 1 7 . 1 1 64 64 ILE H H 64 8.488 8.488 8.568 -0.080 18518 4395 1 7 . 1 1 65 65 LYS N N 65 118.336 118.336 120.621 -2.285 18518 4396 1 7 . 1 1 65 65 LYS HA H 65 3.701 3.701 3.915 -0.214 18518 4397 1 7 . 1 1 65 65 LYS C C 65 179.291 179.291 179.208 0.083 18518 4398 1 7 . 1 1 65 65 LYS CA C 65 60.440 60.440 59.955 0.485 18518 4399 1 7 . 1 1 65 65 LYS CB C 65 32.371 32.371 32.288 0.083 18518 4400 1 7 . 1 1 65 65 LYS H H 65 7.347 7.347 7.654 -0.307 18518 4401 1 7 . 1 1 66 66 ILE N N 66 120.171 120.171 119.924 0.247 18518 4402 1 7 . 1 1 66 66 ILE HA H 66 3.578 3.578 3.672 -0.094 18518 4403 1 7 . 1 1 66 66 ILE C C 66 178.873 178.873 178.180 0.693 18518 4404 1 7 . 1 1 66 66 ILE CA C 66 65.160 65.160 65.184 -0.024 18518 4405 1 7 . 1 1 66 66 ILE CB C 66 38.633 38.633 38.032 0.601 18518 4406 1 7 . 1 1 66 66 ILE H H 66 7.901 7.901 7.956 -0.055 18518 4407 1 7 . 1 1 67 67 ILE N N 67 121.185 121.185 120.698 0.487 18518 4408 1 7 . 1 1 67 67 ILE HA H 67 3.446 3.446 3.602 -0.156 18518 4409 1 7 . 1 1 67 67 ILE C C 67 177.150 177.150 177.854 -0.704 18518 4410 1 7 . 1 1 67 67 ILE CA C 67 62.806 62.806 64.368 -1.562 18518 4411 1 7 . 1 1 67 67 ILE CB C 67 34.995 34.995 37.331 -2.337 18518 4412 1 7 . 1 1 67 67 ILE H H 67 8.290 8.290 8.147 0.143 18518 4413 1 7 . 1 1 68 68 ARG N N 68 119.173 119.173 118.683 0.490 18518 4414 1 7 . 1 1 68 68 ARG HA H 68 2.931 2.931 3.709 -0.778 18518 4415 1 7 . 1 1 68 68 ARG C C 68 178.496 178.496 178.549 -0.053 18518 4416 1 7 . 1 1 68 68 ARG CA C 68 60.636 60.636 59.364 1.272 18518 4417 1 7 . 1 1 68 68 ARG CB C 68 30.440 30.440 29.663 0.777 18518 4418 1 7 . 1 1 68 68 ARG H H 68 8.438 8.438 8.292 0.146 18518 4419 1 7 . 1 1 69 69 ARG N N 69 116.511 116.511 119.743 -3.232 18518 4420 1 7 . 1 1 69 69 ARG HA H 69 4.134 4.134 3.992 0.142 18518 4421 1 7 . 1 1 69 69 ARG C C 69 180.262 180.262 179.093 1.169 18518 4422 1 7 . 1 1 69 69 ARG CA C 69 58.707 58.707 59.084 -0.377 18518 4423 1 7 . 1 1 69 69 ARG CB C 69 29.953 29.953 30.108 -0.155 18518 4424 1 7 . 1 1 69 69 ARG H H 69 7.497 7.497 7.931 -0.434 18518 4425 1 7 . 1 1 70 70 ARG N N 70 123.297 123.297 119.406 3.891 18518 4426 1 7 . 1 1 70 70 ARG HA H 70 4.016 4.016 4.135 -0.119 18518 4427 1 7 . 1 1 70 70 ARG C C 70 178.700 178.700 178.211 0.489 18518 4428 1 7 . 1 1 70 70 ARG CA C 70 59.460 59.460 58.611 0.849 18518 4429 1 7 . 1 1 70 70 ARG CB C 70 30.312 30.312 29.615 0.697 18518 4430 1 7 . 1 1 70 70 ARG H H 70 8.075 8.075 7.880 0.195 18518 4431 1 7 . 1 1 71 71 LEU N N 71 116.829 116.829 119.293 -2.464 18518 4432 1 7 . 1 1 71 71 LEU HA H 71 4.065 4.065 4.194 -0.129 18518 4433 1 7 . 1 1 71 71 LEU C C 71 174.956 174.956 175.781 -0.825 18518 4434 1 7 . 1 1 71 71 LEU CA C 71 55.126 55.126 55.506 -0.380 18518 4435 1 7 . 1 1 71 71 LEU CB C 71 43.246 43.246 42.635 0.611 18518 4436 1 7 . 1 1 71 71 LEU H H 71 7.719 7.719 8.014 -0.295 18518 4437 1 7 . 1 1 72 72 GLN N N 72 114.991 114.991 114.269 0.722 18518 4438 1 7 . 1 1 72 72 GLN HA H 72 3.836 3.836 3.837 -0.001 18518 4439 1 7 . 1 1 72 72 GLN C C 72 175.683 175.683 175.546 0.137 18518 4440 1 7 . 1 1 72 72 GLN CA C 72 56.325 56.325 56.162 0.163 18518 4441 1 7 . 1 1 72 72 GLN CB C 72 26.004 26.004 25.710 0.294 18518 4442 1 7 . 1 1 72 72 GLN H H 72 7.744 7.744 7.371 0.373 18518 4443 1 7 . 1 1 73 73 LEU N N 73 115.045 115.045 116.098 -1.053 18518 4444 1 7 . 1 1 73 73 LEU HA H 73 4.236 4.236 4.185 0.051 18518 4445 1 7 . 1 1 73 73 LEU C C 73 178.762 178.762 176.420 2.342 18518 4446 1 7 . 1 1 73 73 LEU CA C 73 54.386 54.386 55.101 -0.715 18518 4447 1 7 . 1 1 73 73 LEU CB C 73 42.091 42.091 42.402 -0.311 18518 4448 1 7 . 1 1 73 73 LEU H H 73 7.500 7.500 7.186 0.314 18518 4449 1 7 . 1 1 74 74 ASN N N 74 121.700 121.700 119.288 2.412 18518 4450 1 7 . 1 1 74 74 ASN HA H 74 4.690 4.690 4.658 0.032 18518 4451 1 7 . 1 1 74 74 ASN C C 74 176.617 176.617 176.064 0.553 18518 4452 1 7 . 1 1 74 74 ASN CA C 74 52.685 52.685 53.210 -0.525 18518 4453 1 7 . 1 1 74 74 ASN CB C 74 39.598 39.598 39.335 0.263 18518 4454 1 7 . 1 1 74 74 ASN H H 74 9.045 9.045 8.385 0.660 18518 4455 1 7 . 1 1 75 75 ALA N N 75 123.952 123.952 121.797 2.155 18518 4456 1 7 . 1 1 75 75 ALA HA H 75 3.964 3.964 4.314 -0.350 18518 4457 1 7 . 1 1 75 75 ALA C C 75 178.131 178.131 177.560 0.571 18518 4458 1 7 . 1 1 75 75 ALA CA C 75 54.868 54.868 53.883 0.985 18518 4459 1 7 . 1 1 75 75 ALA CB C 75 18.718 18.718 19.363 -0.645 18518 4460 1 7 . 1 1 75 75 ALA H H 75 8.784 8.784 8.460 0.324 18518 4461 1 7 . 1 1 76 76 ASN N N 76 112.295 112.295 116.272 -3.977 18518 4462 1 7 . 1 1 76 76 ASN HA H 76 4.580 4.580 4.652 -0.072 18518 4463 1 7 . 1 1 76 76 ASN C C 76 175.448 175.448 175.158 0.290 18518 4464 1 7 . 1 1 76 76 ASN CA C 76 53.214 53.214 53.470 -0.256 18518 4465 1 7 . 1 1 76 76 ASN CB C 76 38.320 38.320 38.497 -0.177 18518 4466 1 7 . 1 1 76 76 ASN H H 76 8.391 8.391 8.455 -0.064 18518 4467 1 7 . 1 1 77 77 GLN N N 77 120.577 120.577 117.197 3.380 18518 4468 1 7 . 1 1 77 77 GLN HA H 77 4.273 4.273 4.576 -0.303 18518 4469 1 7 . 1 1 77 77 GLN C C 77 175.045 175.045 173.690 1.355 18518 4470 1 7 . 1 1 77 77 GLN CA C 77 55.805 55.805 54.635 1.170 18518 4471 1 7 . 1 1 77 77 GLN CB C 77 30.157 30.157 31.503 -1.346 18518 4472 1 7 . 1 1 77 77 GLN H H 77 7.552 7.552 7.556 -0.004 18518 4473 1 7 . 1 1 78 78 ALA N N 78 130.670 130.670 123.120 7.550 18518 4474 1 7 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.502 -0.331 18518 4475 1 7 . 1 1 78 78 ALA C C 78 176.512 176.512 175.921 0.591 18518 4476 1 7 . 1 1 78 78 ALA CA C 78 52.842 52.842 51.376 1.466 18518 4477 1 7 . 1 1 78 78 ALA CB C 78 20.060 20.060 20.829 -0.769 18518 4478 1 7 . 1 1 78 78 ALA H H 78 8.799 8.799 8.516 0.283 18518 4479 1 7 . 1 1 79 79 PHE N N 79 119.325 119.325 117.389 1.936 18518 4480 1 7 . 1 1 79 79 PHE HA H 79 4.434 4.434 5.148 -0.714 18518 4481 1 7 . 1 1 79 79 PHE C C 79 171.726 171.726 172.841 -1.115 18518 4482 1 7 . 1 1 79 79 PHE CA C 79 59.145 59.145 55.516 3.629 18518 4483 1 7 . 1 1 79 79 PHE CB C 79 42.171 42.171 41.920 0.251 18518 4484 1 7 . 1 1 79 79 PHE H H 79 7.664 7.664 8.156 -0.492 18518 4485 1 7 . 1 1 80 80 PHE N N 80 126.314 126.314 118.035 8.279 18518 4486 1 7 . 1 1 80 80 PHE HA H 80 4.392 4.392 4.659 -0.267 18518 4487 1 7 . 1 1 80 80 PHE C C 80 177.169 177.169 173.480 3.689 18518 4488 1 7 . 1 1 80 80 PHE CA C 80 56.653 56.653 56.131 0.522 18518 4489 1 7 . 1 1 80 80 PHE CB C 80 41.933 41.933 42.958 -1.025 18518 4490 1 7 . 1 1 80 80 PHE H H 80 8.508 8.508 8.821 -0.313 18518 4491 1 7 . 1 1 81 81 LEU N N 81 121.426 121.426 123.112 -1.686 18518 4492 1 7 . 1 1 81 81 LEU HA H 81 4.851 4.851 4.994 -0.143 18518 4493 1 7 . 1 1 81 81 LEU C C 81 174.488 174.488 174.922 -0.434 18518 4494 1 7 . 1 1 81 81 LEU CA C 81 53.197 53.197 53.823 -0.626 18518 4495 1 7 . 1 1 81 81 LEU CB C 81 45.100 45.100 43.449 1.651 18518 4496 1 7 . 1 1 81 81 LEU H H 81 8.229 8.229 8.628 -0.399 18518 4497 1 7 . 1 1 82 82 LEU N N 82 125.155 125.155 127.735 -2.580 18518 4498 1 7 . 1 1 82 82 LEU HA H 82 4.833 4.833 4.522 0.311 18518 4499 1 7 . 1 1 82 82 LEU C C 82 177.166 177.166 175.453 1.713 18518 4500 1 7 . 1 1 82 82 LEU CA C 82 54.197 54.197 54.282 -0.085 18518 4501 1 7 . 1 1 82 82 LEU CB C 82 43.442 43.442 43.842 -0.400 18518 4502 1 7 . 1 1 82 82 LEU H H 82 9.400 9.400 8.978 0.422 18518 4503 1 7 . 1 1 83 83 VAL N N 83 123.886 123.886 120.951 2.935 18518 4504 1 7 . 1 1 83 83 VAL HA H 83 4.379 4.379 4.462 -0.083 18518 4505 1 7 . 1 1 83 83 VAL C C 83 175.810 175.810 176.638 -0.828 18518 4506 1 7 . 1 1 83 83 VAL CA C 83 61.677 61.677 61.124 0.553 18518 4507 1 7 . 1 1 83 83 VAL CB C 83 33.758 33.758 32.486 1.272 18518 4508 1 7 . 1 1 83 83 VAL H H 83 8.721 8.721 8.742 -0.021 18518 4509 1 7 . 1 1 84 84 ASN N N 84 126.474 126.474 126.802 -0.328 18518 4510 1 7 . 1 1 84 84 ASN HA H 84 4.396 4.396 4.439 -0.043 18518 4511 1 7 . 1 1 84 84 ASN C C 84 175.164 175.164 175.074 0.090 18518 4512 1 7 . 1 1 84 84 ASN CA C 84 54.738 54.738 54.942 -0.204 18518 4513 1 7 . 1 1 84 84 ASN CB C 84 37.950 37.950 37.721 0.229 18518 4514 1 7 . 1 1 84 84 ASN H H 84 9.707 9.707 9.629 0.078 18518 4515 1 7 . 1 1 85 85 GLY N N 85 101.296 101.296 104.280 -2.984 18518 4516 1 7 . 1 1 85 85 GLY C C 85 173.680 173.680 172.948 0.732 18518 4517 1 7 . 1 1 85 85 GLY CA C 85 45.603 45.603 44.730 0.873 18518 4518 1 7 . 1 1 85 85 GLY H H 85 8.644 8.644 8.320 0.324 18518 4519 1 7 . 1 1 86 86 HIS N N 86 117.238 117.238 118.831 -1.593 18518 4520 1 7 . 1 1 86 86 HIS HA H 86 5.017 5.017 4.753 0.264 18518 4521 1 7 . 1 1 86 86 HIS C C 86 173.841 173.841 173.963 -0.122 18518 4522 1 7 . 1 1 86 86 HIS CA C 86 53.796 53.796 54.129 -0.333 18518 4523 1 7 . 1 1 86 86 HIS CB C 86 31.280 31.280 32.560 -1.280 18518 4524 1 7 . 1 1 86 86 HIS H H 86 7.918 7.918 8.177 -0.259 18518 4525 1 7 . 1 1 87 87 SER N N 87 118.179 118.179 121.291 -3.112 18518 4526 1 7 . 1 1 87 87 SER HA H 87 4.699 4.699 4.476 0.223 18518 4527 1 7 . 1 1 87 87 SER C C 87 175.904 175.904 174.344 1.560 18518 4528 1 7 . 1 1 87 87 SER CA C 87 58.271 58.271 58.817 -0.546 18518 4529 1 7 . 1 1 87 87 SER CB C 87 63.735 63.735 62.110 1.625 18518 4530 1 7 . 1 1 87 87 SER H H 87 8.977 8.977 8.790 0.187 18518 4531 1 7 . 1 1 88 88 MET N N 88 125.472 125.472 122.301 3.171 18518 4532 1 7 . 1 1 88 88 MET HA H 88 4.830 4.830 4.736 0.094 18518 4533 1 7 . 1 1 88 88 MET C C 88 176.419 176.419 174.534 1.885 18518 4534 1 7 . 1 1 88 88 MET CA C 88 54.899 54.899 54.571 0.328 18518 4535 1 7 . 1 1 88 88 MET CB C 88 33.336 33.336 33.505 -0.169 18518 4536 1 7 . 1 1 88 88 MET H H 88 9.184 9.184 8.107 1.077 18518 4537 1 7 . 1 1 89 89 VAL N N 89 120.747 120.747 123.216 -2.469 18518 4538 1 7 . 1 1 89 89 VAL HA H 89 4.232 4.232 4.178 0.054 18518 4539 1 7 . 1 1 89 89 VAL C C 89 175.958 175.958 176.073 -0.115 18518 4540 1 7 . 1 1 89 89 VAL CA C 89 63.154 63.154 61.919 1.235 18518 4541 1 7 . 1 1 89 89 VAL CB C 89 31.878 31.878 31.402 0.476 18518 4542 1 7 . 1 1 89 89 VAL H H 89 8.233 8.233 7.875 0.358 18518 4543 1 7 . 1 1 90 90 SER N N 90 117.362 117.362 122.462 -5.100 18518 4544 1 7 . 1 1 90 90 SER HA H 90 4.590 4.590 4.455 0.135 18518 4545 1 7 . 1 1 90 90 SER C C 90 175.741 175.741 175.863 -0.122 18518 4546 1 7 . 1 1 90 90 SER CA C 90 57.717 57.717 58.029 -0.312 18518 4547 1 7 . 1 1 90 90 SER CB C 90 63.223 63.223 64.241 -1.018 18518 4548 1 7 . 1 1 90 90 SER H H 90 8.482 8.482 8.483 -0.001 18518 4549 1 7 . 1 1 91 91 VAL N N 91 120.466 120.466 123.112 -2.646 18518 4550 1 7 . 1 1 91 91 VAL HA H 91 4.047 4.047 3.809 0.238 18518 4551 1 7 . 1 1 91 91 VAL C C 91 176.329 176.329 176.305 0.024 18518 4552 1 7 . 1 1 91 91 VAL CA C 91 63.492 63.492 64.936 -1.444 18518 4553 1 7 . 1 1 91 91 VAL CB C 91 32.568 32.568 32.169 0.399 18518 4554 1 7 . 1 1 91 91 VAL H H 91 8.188 8.188 8.745 -0.557 18518 4555 1 7 . 1 1 92 92 SER N N 92 116.398 116.398 112.776 3.622 18518 4556 1 7 . 1 1 92 92 SER HA H 92 4.636 4.636 4.404 0.232 18518 4557 1 7 . 1 1 92 92 SER C C 92 174.159 174.159 174.667 -0.508 18518 4558 1 7 . 1 1 92 92 SER CA C 92 57.805 57.805 59.384 -1.579 18518 4559 1 7 . 1 1 92 92 SER CB C 92 63.046 63.046 63.068 -0.022 18518 4560 1 7 . 1 1 92 92 SER H H 92 8.370 8.370 8.262 0.108 18518 4561 1 7 . 1 1 93 93 THR N N 93 119.211 119.211 120.719 -1.508 18518 4562 1 7 . 1 1 93 93 THR HA H 93 4.484 4.484 4.384 0.100 18518 4563 1 7 . 1 1 93 93 THR CA C 93 60.884 60.884 62.356 -1.472 18518 4564 1 7 . 1 1 93 93 THR CB C 93 70.609 70.609 68.980 1.629 18518 4565 1 7 . 1 1 93 93 THR H H 93 7.416 7.416 7.392 0.024 18518 4566 1 7 . 1 1 94 94 PRO HA H 94 4.440 4.440 4.661 -0.221 18518 4567 1 7 . 1 1 94 94 PRO C C 94 178.775 178.775 177.311 1.464 18518 4568 1 7 . 1 1 94 94 PRO CA C 94 62.943 62.943 62.321 0.622 18518 4569 1 7 . 1 1 94 94 PRO CB C 94 32.649 32.649 32.706 -0.057 18518 4570 1 7 . 1 1 95 95 ILE N N 95 124.174 124.174 123.602 0.572 18518 4571 1 7 . 1 1 95 95 ILE HA H 95 3.949 3.949 3.793 0.156 18518 4572 1 7 . 1 1 95 95 ILE C C 95 176.498 176.498 177.079 -0.581 18518 4573 1 7 . 1 1 95 95 ILE CA C 95 63.904 63.904 63.664 0.240 18518 4574 1 7 . 1 1 95 95 ILE CB C 95 38.182 38.182 38.170 0.012 18518 4575 1 7 . 1 1 95 95 ILE H H 95 9.305 9.305 8.127 1.178 18518 4576 1 7 . 1 1 96 96 SER N N 96 116.920 116.920 116.929 -0.009 18518 4577 1 7 . 1 1 96 96 SER HA H 96 4.029 4.029 4.065 -0.036 18518 4578 1 7 . 1 1 96 96 SER C C 96 176.574 176.574 176.254 0.320 18518 4579 1 7 . 1 1 96 96 SER CA C 96 61.356 61.356 62.140 -0.784 18518 4580 1 7 . 1 1 96 96 SER CB C 96 61.723 61.723 62.518 -0.795 18518 4581 1 7 . 1 1 96 96 SER H H 96 8.335 8.335 7.908 0.427 18518 4582 1 7 . 1 1 97 97 GLU N N 97 123.255 123.255 123.158 0.097 18518 4583 1 7 . 1 1 97 97 GLU HA H 97 4.278 4.278 4.177 0.101 18518 4584 1 7 . 1 1 97 97 GLU C C 97 179.716 179.716 179.134 0.582 18518 4585 1 7 . 1 1 97 97 GLU CA C 97 58.792 58.792 58.712 0.080 18518 4586 1 7 . 1 1 97 97 GLU CB C 97 29.562 29.562 29.163 0.399 18518 4587 1 7 . 1 1 97 97 GLU H H 97 7.376 7.376 7.778 -0.402 18518 4588 1 7 . 1 1 98 98 VAL N N 98 121.137 121.137 122.173 -1.036 18518 4589 1 7 . 1 1 98 98 VAL HA H 98 3.802 3.802 3.773 0.029 18518 4590 1 7 . 1 1 98 98 VAL C C 98 177.637 177.637 178.282 -0.645 18518 4591 1 7 . 1 1 98 98 VAL CA C 98 65.824 65.824 66.781 -0.957 18518 4592 1 7 . 1 1 98 98 VAL CB C 98 32.154 32.154 31.232 0.922 18518 4593 1 7 . 1 1 98 98 VAL H H 98 7.387 7.387 7.875 -0.487 18518 4594 1 7 . 1 1 99 99 TYR N N 99 118.927 118.927 121.560 -2.633 18518 4595 1 7 . 1 1 99 99 TYR HA H 99 3.990 3.990 4.024 -0.034 18518 4596 1 7 . 1 1 99 99 TYR C C 99 176.081 176.081 177.159 -1.078 18518 4597 1 7 . 1 1 99 99 TYR CA C 99 62.223 62.223 61.784 0.439 18518 4598 1 7 . 1 1 99 99 TYR CB C 99 38.982 38.982 38.516 0.466 18518 4599 1 7 . 1 1 99 99 TYR H H 99 9.048 9.048 8.564 0.484 18518 4600 1 7 . 1 1 100 100 GLU N N 100 113.894 113.894 116.235 -2.341 18518 4601 1 7 . 1 1 100 100 GLU HA H 100 3.846 3.846 3.903 -0.057 18518 4602 1 7 . 1 1 100 100 GLU C C 100 177.989 177.989 178.498 -0.509 18518 4603 1 7 . 1 1 100 100 GLU CA C 100 59.087 59.087 58.817 0.270 18518 4604 1 7 . 1 1 100 100 GLU CB C 100 29.382 29.382 29.350 0.032 18518 4605 1 7 . 1 1 100 100 GLU H H 100 7.422 7.422 8.171 -0.749 18518 4606 1 7 . 1 1 101 101 SER N N 101 108.991 108.991 113.536 -4.545 18518 4607 1 7 . 1 1 101 101 SER HA H 101 4.524 4.524 4.462 0.062 18518 4608 1 7 . 1 1 101 101 SER C C 101 176.628 176.628 175.553 1.075 18518 4609 1 7 . 1 1 101 101 SER CA C 101 60.349 60.349 60.206 0.143 18518 4610 1 7 . 1 1 101 101 SER CB C 101 64.741 64.741 64.495 0.246 18518 4611 1 7 . 1 1 101 101 SER H H 101 7.424 7.424 7.904 -0.480 18518 4612 1 7 . 1 1 102 102 GLU N N 102 116.533 116.533 120.941 -4.408 18518 4613 1 7 . 1 1 102 102 GLU HA H 102 4.744 4.744 4.663 0.081 18518 4614 1 7 . 1 1 102 102 GLU C C 102 176.774 176.774 175.589 1.185 18518 4615 1 7 . 1 1 102 102 GLU CA C 102 55.581 55.581 55.963 -0.382 18518 4616 1 7 . 1 1 102 102 GLU CB C 102 30.697 30.697 31.017 -0.320 18518 4617 1 7 . 1 1 102 102 GLU H H 102 8.487 8.487 8.139 0.348 18518 4618 1 7 . 1 1 103 103 LYS N N 103 118.370 118.370 119.879 -1.509 18518 4619 1 7 . 1 1 103 103 LYS HA H 103 4.178 4.178 3.944 0.234 18518 4620 1 7 . 1 1 103 103 LYS C C 103 175.018 175.018 176.708 -1.690 18518 4621 1 7 . 1 1 103 103 LYS CA C 103 57.329 57.329 57.020 0.309 18518 4622 1 7 . 1 1 103 103 LYS CB C 103 32.186 32.186 32.023 0.163 18518 4623 1 7 . 1 1 103 103 LYS H H 103 7.831 7.831 7.675 0.156 18518 4624 1 7 . 1 1 104 104 ASP N N 104 123.500 123.500 123.531 -0.031 18518 4625 1 7 . 1 1 104 104 ASP HA H 104 4.755 4.755 4.819 -0.064 18518 4626 1 7 . 1 1 104 104 ASP C C 104 177.383 177.383 177.585 -0.202 18518 4627 1 7 . 1 1 104 104 ASP CA C 104 53.846 53.846 53.757 0.090 18518 4628 1 7 . 1 1 104 104 ASP CB C 104 43.411 43.411 42.559 0.852 18518 4629 1 7 . 1 1 104 104 ASP H H 104 9.041 9.041 8.172 0.869 18518 4630 1 7 . 1 1 105 105 GLU N N 105 125.448 125.448 120.628 4.820 18518 4631 1 7 . 1 1 105 105 GLU HA H 105 4.180 4.180 4.138 0.042 18518 4632 1 7 . 1 1 105 105 GLU C C 105 177.519 177.519 176.610 0.909 18518 4633 1 7 . 1 1 105 105 GLU CA C 105 59.529 59.529 59.095 0.434 18518 4634 1 7 . 1 1 105 105 GLU CB C 105 30.044 30.044 29.730 0.314 18518 4635 1 7 . 1 1 105 105 GLU H H 105 8.906 8.906 8.949 -0.043 18518 4636 1 7 . 1 1 106 106 ASP N N 106 118.824 118.824 114.685 4.139 18518 4637 1 7 . 1 1 106 106 ASP HA H 106 4.179 4.179 4.572 -0.393 18518 4638 1 7 . 1 1 106 106 ASP C C 106 176.223 176.223 177.147 -0.924 18518 4639 1 7 . 1 1 106 106 ASP CA C 106 54.756 54.756 53.579 1.177 18518 4640 1 7 . 1 1 106 106 ASP CB C 106 39.999 39.999 39.927 0.072 18518 4641 1 7 . 1 1 106 106 ASP H H 106 10.036 10.036 8.136 1.900 18518 4642 1 7 . 1 1 107 107 GLY N N 107 105.866 105.866 107.179 -1.313 18518 4643 1 7 . 1 1 107 107 GLY C C 107 175.136 175.136 173.966 1.170 18518 4644 1 7 . 1 1 107 107 GLY CA C 107 45.222 45.222 45.474 -0.252 18518 4645 1 7 . 1 1 107 107 GLY H H 107 8.001 8.001 7.800 0.201 18518 4646 1 7 . 1 1 108 108 PHE N N 108 123.820 123.820 120.115 3.705 18518 4647 1 7 . 1 1 108 108 PHE HA H 108 4.662 4.662 5.195 -0.533 18518 4648 1 7 . 1 1 108 108 PHE C C 108 174.899 174.899 174.463 0.436 18518 4649 1 7 . 1 1 108 108 PHE CA C 108 60.238 60.238 58.348 1.890 18518 4650 1 7 . 1 1 108 108 PHE CB C 108 40.365 40.365 41.175 -0.810 18518 4651 1 7 . 1 1 108 108 PHE H H 108 9.912 9.912 8.541 1.371 18518 4652 1 7 . 1 1 109 109 LEU N N 109 120.130 120.130 121.603 -1.473 18518 4653 1 7 . 1 1 109 109 LEU HA H 109 5.030 5.030 4.810 0.220 18518 4654 1 7 . 1 1 109 109 LEU C C 109 173.916 173.916 174.934 -1.018 18518 4655 1 7 . 1 1 109 109 LEU CA C 109 53.424 53.424 54.053 -0.629 18518 4656 1 7 . 1 1 109 109 LEU CB C 109 45.203 45.203 44.230 0.973 18518 4657 1 7 . 1 1 109 109 LEU H H 109 7.997 7.997 8.578 -0.581 18518 4658 1 7 . 1 1 110 110 TYR N N 110 126.579 126.579 128.418 -1.839 18518 4659 1 7 . 1 1 110 110 TYR HA H 110 5.003 5.003 4.668 0.335 18518 4660 1 7 . 1 1 110 110 TYR C C 110 176.671 176.671 175.052 1.619 18518 4661 1 7 . 1 1 110 110 TYR CA C 110 59.058 59.058 59.004 0.054 18518 4662 1 7 . 1 1 110 110 TYR CB C 110 39.556 39.556 39.075 0.481 18518 4663 1 7 . 1 1 110 110 TYR H H 110 9.377 9.377 8.464 0.913 18518 4664 1 7 . 1 1 111 111 MET N N 111 119.240 119.240 123.202 -3.962 18518 4665 1 7 . 1 1 111 111 MET HA H 111 5.486 5.486 5.339 0.147 18518 4666 1 7 . 1 1 111 111 MET C C 111 175.695 175.695 174.459 1.236 18518 4667 1 7 . 1 1 111 111 MET CA C 111 54.124 54.124 54.518 -0.394 18518 4668 1 7 . 1 1 111 111 MET CB C 111 36.960 36.960 37.678 -0.718 18518 4669 1 7 . 1 1 111 111 MET H H 111 9.658 9.658 9.177 0.481 18518 4670 1 7 . 1 1 112 112 VAL N N 112 119.865 119.865 115.912 3.953 18518 4671 1 7 . 1 1 112 112 VAL HA H 112 5.963 5.963 5.552 0.411 18518 4672 1 7 . 1 1 112 112 VAL C C 112 175.058 175.058 174.010 1.048 18518 4673 1 7 . 1 1 112 112 VAL CA C 112 58.911 58.911 59.341 -0.430 18518 4674 1 7 . 1 1 112 112 VAL CB C 112 36.051 36.051 35.600 0.451 18518 4675 1 7 . 1 1 112 112 VAL H H 112 8.794 8.794 8.901 -0.107 18518 4676 1 7 . 1 1 113 113 TYR N N 113 119.664 119.664 119.902 -0.238 18518 4677 1 7 . 1 1 113 113 TYR HA H 113 6.118 6.118 5.638 0.480 18518 4678 1 7 . 1 1 113 113 TYR C C 113 173.375 173.375 173.413 -0.038 18518 4679 1 7 . 1 1 113 113 TYR CA C 113 54.153 54.153 55.153 -1.000 18518 4680 1 7 . 1 1 113 113 TYR CB C 113 43.312 43.312 41.438 1.874 18518 4681 1 7 . 1 1 113 113 TYR H H 113 8.315 8.315 8.438 -0.123 18518 4682 1 7 . 1 1 114 114 ALA N N 114 119.763 119.763 123.758 -3.995 18518 4683 1 7 . 1 1 114 114 ALA HA H 114 4.800 4.800 4.612 0.188 18518 4684 1 7 . 1 1 114 114 ALA C C 114 176.216 176.216 175.078 1.138 18518 4685 1 7 . 1 1 114 114 ALA CA C 114 51.132 51.132 51.548 -0.416 18518 4686 1 7 . 1 1 114 114 ALA CB C 114 24.596 24.596 22.184 2.412 18518 4687 1 7 . 1 1 114 114 ALA H H 114 8.465 8.465 8.594 -0.129 18518 4688 1 7 . 1 1 115 115 SER N N 115 114.763 114.763 116.666 -1.903 18518 4689 1 7 . 1 1 115 115 SER HA H 115 4.496 4.496 4.943 -0.447 18518 4690 1 7 . 1 1 115 115 SER C C 115 172.671 172.671 173.361 -0.690 18518 4691 1 7 . 1 1 115 115 SER CA C 115 58.651 58.651 57.365 1.286 18518 4692 1 7 . 1 1 115 115 SER CB C 115 63.526 63.526 61.431 2.095 18518 4693 1 7 . 1 1 115 115 SER H H 115 9.915 9.915 8.920 0.995 18518 4694 1 7 . 1 1 116 116 GLN N N 116 116.611 116.611 123.355 -6.744 18518 4695 1 7 . 1 1 116 116 GLN HA H 116 4.484 4.484 4.426 0.058 18518 4696 1 7 . 1 1 116 116 GLN C C 116 172.733 172.733 172.859 -0.126 18518 4697 1 7 . 1 1 116 116 GLN CA C 116 53.926 53.926 55.315 -1.389 18518 4698 1 7 . 1 1 116 116 GLN CB C 116 32.358 32.358 29.941 2.417 18518 4699 1 7 . 1 1 116 116 GLN H H 116 7.219 7.219 7.733 -0.514 18518 4700 1 7 . 1 1 117 117 GLU N N 117 117.623 117.623 119.267 -1.644 18518 4701 1 7 . 1 1 117 117 GLU HA H 117 3.287 3.287 3.103 0.184 18518 4702 1 7 . 1 1 117 117 GLU C C 117 175.168 175.168 175.135 0.033 18518 4703 1 7 . 1 1 117 117 GLU CA C 117 56.882 56.882 56.439 0.443 18518 4704 1 7 . 1 1 117 117 GLU CB C 117 30.522 30.522 29.733 0.789 18518 4705 1 7 . 1 1 117 117 GLU H H 117 7.882 7.882 8.465 -0.583 18518 4706 1 7 . 1 1 118 118 THR N N 118 109.820 109.820 109.326 0.494 18518 4707 1 7 . 1 1 118 118 THR HA H 118 4.066 4.066 4.338 -0.272 18518 4708 1 7 . 1 1 118 118 THR C C 118 172.355 172.355 174.095 -1.740 18518 4709 1 7 . 1 1 118 118 THR CA C 118 60.029 60.029 60.474 -0.445 18518 4710 1 7 . 1 1 118 118 THR CB C 118 70.480 70.480 69.930 0.550 18518 4711 1 7 . 1 1 118 118 THR H H 118 6.992 6.992 7.184 -0.192 18518 4712 1 8 . 1 1 2 2 ALA HA H 2 4.336 4.336 5.332 -0.996 18518 4713 1 8 . 1 1 2 2 ALA C C 2 177.974 177.974 176.699 1.275 18518 4714 1 8 . 1 1 2 2 ALA CA C 2 52.785 52.785 51.566 1.220 18518 4715 1 8 . 1 1 2 2 ALA CB C 2 19.444 19.444 21.370 -1.926 18518 4716 1 8 . 1 1 3 3 MET N N 3 119.311 119.311 119.526 -0.215 18518 4717 1 8 . 1 1 3 3 MET HA H 3 4.451 4.451 4.693 -0.242 18518 4718 1 8 . 1 1 3 3 MET C C 3 176.913 176.913 174.655 2.258 18518 4719 1 8 . 1 1 3 3 MET CA C 3 55.679 55.679 55.298 0.381 18518 4720 1 8 . 1 1 3 3 MET CB C 3 32.590 32.590 34.984 -2.394 18518 4721 1 8 . 1 1 3 3 MET H H 3 8.638 8.638 8.602 0.036 18518 4722 1 8 . 1 1 4 4 GLY N N 4 110.281 110.281 110.245 0.036 18518 4723 1 8 . 1 1 4 4 GLY C C 4 174.180 174.180 173.828 0.352 18518 4724 1 8 . 1 1 4 4 GLY CA C 4 45.495 45.495 44.731 0.764 18518 4725 1 8 . 1 1 4 4 GLY H H 4 8.552 8.552 8.548 0.004 18518 4726 1 8 . 1 1 5 5 LYS N N 5 120.818 120.818 125.748 -4.930 18518 4727 1 8 . 1 1 5 5 LYS HA H 5 4.509 4.509 4.462 0.047 18518 4728 1 8 . 1 1 5 5 LYS C C 5 177.605 177.605 176.472 1.133 18518 4729 1 8 . 1 1 5 5 LYS CA C 5 56.134 56.134 54.661 1.473 18518 4730 1 8 . 1 1 5 5 LYS CB C 5 34.813 34.813 32.927 1.886 18518 4731 1 8 . 1 1 5 5 LYS H H 5 8.133 8.133 8.270 -0.137 18518 4732 1 8 . 1 1 6 6 THR N N 6 114.781 114.781 118.375 -3.594 18518 4733 1 8 . 1 1 6 6 THR HA H 6 4.421 4.421 4.293 0.128 18518 4734 1 8 . 1 1 6 6 THR C C 6 175.524 175.524 176.001 -0.477 18518 4735 1 8 . 1 1 6 6 THR CA C 6 61.127 61.127 62.590 -1.463 18518 4736 1 8 . 1 1 6 6 THR CB C 6 69.926 69.926 69.690 0.236 18518 4737 1 8 . 1 1 6 6 THR H H 6 8.483 8.483 8.533 -0.050 18518 4738 1 8 . 1 1 7 7 PHE N N 7 125.552 125.552 122.307 3.245 18518 4739 1 8 . 1 1 7 7 PHE HA H 7 4.005 4.005 4.119 -0.114 18518 4740 1 8 . 1 1 7 7 PHE C C 7 177.397 177.397 177.030 0.367 18518 4741 1 8 . 1 1 7 7 PHE CA C 7 63.393 63.393 61.615 1.778 18518 4742 1 8 . 1 1 7 7 PHE CB C 7 39.567 39.567 38.503 1.064 18518 4743 1 8 . 1 1 7 7 PHE H H 7 10.245 10.245 9.107 1.138 18518 4744 1 8 . 1 1 8 8 LYS N N 8 114.053 114.053 117.432 -3.379 18518 4745 1 8 . 1 1 8 8 LYS HA H 8 3.835 3.835 3.635 0.200 18518 4746 1 8 . 1 1 8 8 LYS C C 8 175.520 175.520 178.035 -2.515 18518 4747 1 8 . 1 1 8 8 LYS CA C 8 59.993 59.993 57.919 2.074 18518 4748 1 8 . 1 1 8 8 LYS CB C 8 33.689 33.689 31.577 2.112 18518 4749 1 8 . 1 1 8 8 LYS H H 8 8.775 8.775 7.184 1.591 18518 4750 1 8 . 1 1 9 9 GLN N N 9 113.516 113.516 117.542 -4.026 18518 4751 1 8 . 1 1 9 9 GLN HA H 9 4.149 4.149 4.098 0.051 18518 4752 1 8 . 1 1 9 9 GLN C C 9 177.615 177.615 177.302 0.313 18518 4753 1 8 . 1 1 9 9 GLN CA C 9 56.819 56.819 57.951 -1.132 18518 4754 1 8 . 1 1 9 9 GLN CB C 9 30.019 30.019 29.383 0.636 18518 4755 1 8 . 1 1 9 9 GLN H H 9 7.355 7.355 7.597 -0.242 18518 4756 1 8 . 1 1 10 10 ARG N N 10 118.294 118.294 115.803 2.491 18518 4757 1 8 . 1 1 10 10 ARG HA H 10 4.302 4.302 4.197 0.105 18518 4758 1 8 . 1 1 10 10 ARG C C 10 179.380 179.380 176.707 2.673 18518 4759 1 8 . 1 1 10 10 ARG CA C 10 57.268 57.268 57.028 0.240 18518 4760 1 8 . 1 1 10 10 ARG CB C 10 31.642 31.642 30.575 1.067 18518 4761 1 8 . 1 1 10 10 ARG H H 10 7.936 7.936 7.776 0.160 18518 4762 1 8 . 1 1 11 11 ARG N N 11 121.137 121.137 119.311 1.826 18518 4763 1 8 . 1 1 11 11 ARG HA H 11 4.680 4.680 4.551 0.129 18518 4764 1 8 . 1 1 11 11 ARG CA C 11 53.453 53.453 55.243 -1.790 18518 4765 1 8 . 1 1 11 11 ARG CB C 11 32.938 32.938 32.545 0.393 18518 4766 1 8 . 1 1 11 11 ARG H H 11 7.390 7.390 7.470 -0.080 18518 4767 1 8 . 1 1 12 12 THR N N 12 116.819 116.819 120.232 -3.413 18518 4768 1 8 . 1 1 12 12 THR HA H 12 4.359 4.359 4.305 0.054 18518 4769 1 8 . 1 1 12 12 THR C C 12 174.989 174.989 176.544 -1.555 18518 4770 1 8 . 1 1 12 12 THR CA C 12 61.748 61.748 62.418 -0.670 18518 4771 1 8 . 1 1 12 12 THR CB C 12 71.068 71.068 69.914 1.154 18518 4772 1 8 . 1 1 12 12 THR H H 12 8.953 8.953 8.333 0.620 18518 4773 1 8 . 1 1 13 13 PHE N N 13 123.200 123.200 123.384 -0.184 18518 4774 1 8 . 1 1 13 13 PHE HA H 13 4.028 4.028 4.180 -0.152 18518 4775 1 8 . 1 1 13 13 PHE C C 13 176.029 176.029 176.893 -0.864 18518 4776 1 8 . 1 1 13 13 PHE CA C 13 62.864 62.864 62.487 0.377 18518 4777 1 8 . 1 1 13 13 PHE CB C 13 39.560 39.560 39.175 0.385 18518 4778 1 8 . 1 1 13 13 PHE H H 13 9.284 9.284 8.933 0.351 18518 4779 1 8 . 1 1 14 14 GLU N N 14 115.414 115.414 117.505 -2.091 18518 4780 1 8 . 1 1 14 14 GLU HA H 14 3.794 3.794 4.030 -0.236 18518 4781 1 8 . 1 1 14 14 GLU C C 14 180.081 180.081 179.136 0.945 18518 4782 1 8 . 1 1 14 14 GLU CA C 14 60.619 60.619 59.763 0.856 18518 4783 1 8 . 1 1 14 14 GLU CB C 14 28.852 28.852 29.068 -0.216 18518 4784 1 8 . 1 1 14 14 GLU H H 14 8.973 8.973 8.809 0.164 18518 4785 1 8 . 1 1 15 15 GLN N N 15 119.276 119.276 118.481 0.795 18518 4786 1 8 . 1 1 15 15 GLN HA H 15 4.000 4.000 4.215 -0.215 18518 4787 1 8 . 1 1 15 15 GLN C C 15 177.978 177.978 178.494 -0.516 18518 4788 1 8 . 1 1 15 15 GLN CA C 15 58.835 58.835 58.160 0.675 18518 4789 1 8 . 1 1 15 15 GLN CB C 15 29.370 29.370 28.302 1.068 18518 4790 1 8 . 1 1 15 15 GLN H H 15 7.756 7.756 7.849 -0.094 18518 4791 1 8 . 1 1 16 16 ARG N N 16 121.336 121.336 121.331 0.005 18518 4792 1 8 . 1 1 16 16 ARG HA H 16 4.270 4.270 4.157 0.113 18518 4793 1 8 . 1 1 16 16 ARG C C 16 177.416 177.416 178.755 -1.339 18518 4794 1 8 . 1 1 16 16 ARG CA C 16 61.375 61.375 59.475 1.900 18518 4795 1 8 . 1 1 16 16 ARG CB C 16 30.605 30.605 30.142 0.463 18518 4796 1 8 . 1 1 16 16 ARG H H 16 8.645 8.645 8.168 0.477 18518 4797 1 8 . 1 1 17 17 VAL N N 17 117.630 117.630 116.174 1.456 18518 4798 1 8 . 1 1 17 17 VAL HA H 17 3.857 3.857 3.888 -0.031 18518 4799 1 8 . 1 1 17 17 VAL C C 17 179.748 179.748 177.507 2.241 18518 4800 1 8 . 1 1 17 17 VAL CA C 17 65.726 65.726 65.531 0.195 18518 4801 1 8 . 1 1 17 17 VAL CB C 17 32.194 32.194 31.510 0.684 18518 4802 1 8 . 1 1 17 17 VAL H H 17 8.373 8.373 8.402 -0.029 18518 4803 1 8 . 1 1 18 18 GLU N N 18 120.864 120.864 121.145 -0.281 18518 4804 1 8 . 1 1 18 18 GLU HA H 18 4.302 4.302 4.007 0.295 18518 4805 1 8 . 1 1 18 18 GLU C C 18 177.728 177.728 178.459 -0.731 18518 4806 1 8 . 1 1 18 18 GLU CA C 18 58.486 58.486 59.652 -1.166 18518 4807 1 8 . 1 1 18 18 GLU CB C 18 29.382 29.382 29.268 0.114 18518 4808 1 8 . 1 1 18 18 GLU H H 18 7.368 7.368 7.957 -0.589 18518 4809 1 8 . 1 1 19 19 ASP N N 19 121.425 121.425 120.282 1.143 18518 4810 1 8 . 1 1 19 19 ASP HA H 19 4.434 4.434 4.460 -0.026 18518 4811 1 8 . 1 1 19 19 ASP C C 19 179.978 179.978 178.742 1.236 18518 4812 1 8 . 1 1 19 19 ASP CA C 19 57.422 57.422 57.214 0.208 18518 4813 1 8 . 1 1 19 19 ASP CB C 19 41.287 41.287 40.819 0.468 18518 4814 1 8 . 1 1 19 19 ASP H H 19 8.671 8.671 8.166 0.505 18518 4815 1 8 . 1 1 20 20 VAL N N 20 119.730 119.730 120.031 -0.301 18518 4816 1 8 . 1 1 20 20 VAL HA H 20 3.205 3.205 3.410 -0.205 18518 4817 1 8 . 1 1 20 20 VAL C C 20 176.284 176.284 177.929 -1.645 18518 4818 1 8 . 1 1 20 20 VAL CA C 20 66.315 66.315 66.373 -0.058 18518 4819 1 8 . 1 1 20 20 VAL CB C 20 31.107 31.107 31.249 -0.142 18518 4820 1 8 . 1 1 20 20 VAL H H 20 7.999 7.999 8.054 -0.055 18518 4821 1 8 . 1 1 21 21 ARG N N 21 121.455 121.455 119.918 1.537 18518 4822 1 8 . 1 1 21 21 ARG HA H 21 3.814 3.814 3.953 -0.139 18518 4823 1 8 . 1 1 21 21 ARG C C 21 180.120 180.120 178.784 1.336 18518 4824 1 8 . 1 1 21 21 ARG CA C 21 59.830 59.830 58.990 0.840 18518 4825 1 8 . 1 1 21 21 ARG CB C 21 29.946 29.946 29.325 0.621 18518 4826 1 8 . 1 1 21 21 ARG H H 21 8.098 8.098 8.098 0.000 18518 4827 1 8 . 1 1 22 22 LEU N N 22 117.826 117.826 120.919 -3.093 18518 4828 1 8 . 1 1 22 22 LEU HA H 22 4.049 4.049 4.010 0.039 18518 4829 1 8 . 1 1 22 22 LEU C C 22 180.115 180.115 178.241 1.874 18518 4830 1 8 . 1 1 22 22 LEU CA C 22 57.790 57.790 57.921 -0.131 18518 4831 1 8 . 1 1 22 22 LEU CB C 22 42.142 42.142 41.778 0.364 18518 4832 1 8 . 1 1 22 22 LEU H H 22 8.207 8.207 8.117 0.090 18518 4833 1 8 . 1 1 23 23 ILE N N 23 121.450 121.450 119.760 1.690 18518 4834 1 8 . 1 1 23 23 ILE HA H 23 4.013 4.013 3.594 0.419 18518 4835 1 8 . 1 1 23 23 ILE C C 23 178.149 178.149 177.566 0.583 18518 4836 1 8 . 1 1 23 23 ILE CA C 23 62.171 62.171 64.325 -2.154 18518 4837 1 8 . 1 1 23 23 ILE CB C 23 38.106 38.106 37.600 0.506 18518 4838 1 8 . 1 1 23 23 ILE H H 23 8.105 8.105 7.897 0.208 18518 4839 1 8 . 1 1 24 24 ARG N N 24 121.139 121.139 118.368 2.771 18518 4840 1 8 . 1 1 24 24 ARG HA H 24 3.987 3.987 4.160 -0.173 18518 4841 1 8 . 1 1 24 24 ARG C C 24 178.702 178.702 179.071 -0.369 18518 4842 1 8 . 1 1 24 24 ARG CA C 24 57.718 57.718 59.176 -1.458 18518 4843 1 8 . 1 1 24 24 ARG CB C 24 28.769 28.769 29.618 -0.849 18518 4844 1 8 . 1 1 24 24 ARG H H 24 8.601 8.601 8.568 0.033 18518 4845 1 8 . 1 1 25 25 GLU N N 25 118.054 118.054 118.995 -0.941 18518 4846 1 8 . 1 1 25 25 GLU HA H 25 4.026 4.026 4.159 -0.133 18518 4847 1 8 . 1 1 25 25 GLU C C 25 178.492 178.492 178.124 0.368 18518 4848 1 8 . 1 1 25 25 GLU CA C 25 58.780 58.780 58.323 0.457 18518 4849 1 8 . 1 1 25 25 GLU CB C 25 30.001 30.001 29.432 0.569 18518 4850 1 8 . 1 1 25 25 GLU H H 25 7.423 7.423 7.764 -0.341 18518 4851 1 8 . 1 1 26 26 GLN N N 26 116.350 116.350 117.517 -1.167 18518 4852 1 8 . 1 1 26 26 GLN HA H 26 3.936 3.936 4.029 -0.093 18518 4853 1 8 . 1 1 26 26 GLN C C 26 176.305 176.305 177.090 -0.785 18518 4854 1 8 . 1 1 26 26 GLN CA C 26 57.503 57.503 57.590 -0.088 18518 4855 1 8 . 1 1 26 26 GLN CB C 26 30.207 30.207 29.159 1.048 18518 4856 1 8 . 1 1 26 26 GLN H H 26 7.524 7.524 7.641 -0.117 18518 4857 1 8 . 1 1 27 27 HIS N N 27 116.017 116.017 118.354 -2.337 18518 4858 1 8 . 1 1 27 27 HIS HA H 27 4.930 4.930 5.043 -0.113 18518 4859 1 8 . 1 1 27 27 HIS CA C 27 53.054 53.054 52.560 0.494 18518 4860 1 8 . 1 1 27 27 HIS CB C 27 30.747 30.747 29.646 1.101 18518 4861 1 8 . 1 1 27 27 HIS H H 27 8.284 8.284 8.199 0.085 18518 4862 1 8 . 1 1 28 28 PRO HA H 28 4.581 4.581 4.612 -0.031 18518 4863 1 8 . 1 1 28 28 PRO CA C 28 64.919 64.919 64.840 0.079 18518 4864 1 8 . 1 1 28 28 PRO CB C 28 32.455 32.455 32.385 0.070 18518 4865 1 8 . 1 1 29 29 THR N N 29 107.011 107.011 106.175 0.836 18518 4866 1 8 . 1 1 29 29 THR HA H 29 4.599 4.599 4.420 0.178 18518 4867 1 8 . 1 1 29 29 THR C C 29 172.884 172.884 174.047 -1.163 18518 4868 1 8 . 1 1 29 29 THR CA C 29 60.810 60.810 61.200 -0.390 18518 4869 1 8 . 1 1 29 29 THR CB C 29 68.531 68.531 68.322 0.209 18518 4870 1 8 . 1 1 29 29 THR H H 29 7.890 7.890 8.088 -0.198 18518 4871 1 8 . 1 1 30 30 LYS N N 30 117.679 117.679 121.706 -4.027 18518 4872 1 8 . 1 1 30 30 LYS HA H 30 4.858 4.858 4.861 -0.003 18518 4873 1 8 . 1 1 30 30 LYS C C 30 174.310 174.310 174.972 -0.662 18518 4874 1 8 . 1 1 30 30 LYS CA C 30 53.751 53.751 54.056 -0.305 18518 4875 1 8 . 1 1 30 30 LYS CB C 30 35.804 35.804 34.933 0.871 18518 4876 1 8 . 1 1 30 30 LYS H H 30 7.441 7.441 7.515 -0.074 18518 4877 1 8 . 1 1 31 31 ILE N N 31 122.849 122.849 123.502 -0.653 18518 4878 1 8 . 1 1 31 31 ILE HA H 31 4.105 4.105 4.178 -0.073 18518 4879 1 8 . 1 1 31 31 ILE CA C 31 54.801 54.801 55.970 -1.169 18518 4880 1 8 . 1 1 31 31 ILE CB C 31 38.265 38.265 37.591 0.674 18518 4881 1 8 . 1 1 31 31 ILE H H 31 9.304 9.304 8.957 0.347 18518 4882 1 8 . 1 1 32 32 PRO HA H 32 5.159 5.159 4.757 0.402 18518 4883 1 8 . 1 1 32 32 PRO C C 32 174.164 174.164 175.927 -1.763 18518 4884 1 8 . 1 1 32 32 PRO CA C 32 61.503 61.503 61.976 -0.473 18518 4885 1 8 . 1 1 32 32 PRO CB C 32 31.145 31.145 30.457 0.688 18518 4886 1 8 . 1 1 33 33 VAL N N 33 125.606 125.606 120.708 4.898 18518 4887 1 8 . 1 1 33 33 VAL HA H 33 5.213 5.213 5.174 0.039 18518 4888 1 8 . 1 1 33 33 VAL C C 33 173.654 173.654 174.044 -0.390 18518 4889 1 8 . 1 1 33 33 VAL CA C 33 60.044 60.044 59.063 0.981 18518 4890 1 8 . 1 1 33 33 VAL CB C 33 35.604 35.604 35.665 -0.061 18518 4891 1 8 . 1 1 33 33 VAL H H 33 9.424 9.424 8.599 0.825 18518 4892 1 8 . 1 1 34 34 ILE N N 34 128.241 128.241 123.398 4.843 18518 4893 1 8 . 1 1 34 34 ILE HA H 34 4.833 4.833 4.841 -0.008 18518 4894 1 8 . 1 1 34 34 ILE C C 34 175.605 175.605 175.188 0.417 18518 4895 1 8 . 1 1 34 34 ILE CA C 34 56.765 56.765 58.558 -1.793 18518 4896 1 8 . 1 1 34 34 ILE CB C 34 36.799 36.799 39.284 -2.485 18518 4897 1 8 . 1 1 34 34 ILE H H 34 8.721 8.721 9.092 -0.371 18518 4898 1 8 . 1 1 35 35 ILE N N 35 125.650 125.650 127.675 -2.025 18518 4899 1 8 . 1 1 35 35 ILE HA H 35 4.836 4.836 4.906 -0.070 18518 4900 1 8 . 1 1 35 35 ILE C C 35 174.887 174.887 174.305 0.582 18518 4901 1 8 . 1 1 35 35 ILE CA C 35 60.945 60.945 60.318 0.627 18518 4902 1 8 . 1 1 35 35 ILE CB C 35 39.210 39.210 39.930 -0.720 18518 4903 1 8 . 1 1 35 35 ILE H H 35 9.034 9.034 9.170 -0.136 18518 4904 1 8 . 1 1 36 36 GLU N N 36 122.657 122.657 126.920 -4.263 18518 4905 1 8 . 1 1 36 36 GLU HA H 36 4.861 4.861 4.934 -0.073 18518 4906 1 8 . 1 1 36 36 GLU C C 36 173.848 173.848 174.788 -0.940 18518 4907 1 8 . 1 1 36 36 GLU CA C 36 53.932 53.932 53.934 -0.002 18518 4908 1 8 . 1 1 36 36 GLU CB C 36 35.282 35.282 34.609 0.673 18518 4909 1 8 . 1 1 36 36 GLU H H 36 8.303 8.303 8.502 -0.199 18518 4910 1 8 . 1 1 37 37 ARG N N 37 123.228 123.228 127.041 -3.813 18518 4911 1 8 . 1 1 37 37 ARG HA H 37 2.726 2.726 3.791 -1.065 18518 4912 1 8 . 1 1 37 37 ARG C C 37 176.359 176.359 175.943 0.416 18518 4913 1 8 . 1 1 37 37 ARG CA C 37 56.359 56.359 56.122 0.237 18518 4914 1 8 . 1 1 37 37 ARG CB C 37 31.341 31.341 30.889 0.452 18518 4915 1 8 . 1 1 37 37 ARG H H 37 8.856 8.856 8.752 0.104 18518 4916 1 8 . 1 1 38 38 TYR N N 38 128.981 128.981 127.630 1.351 18518 4917 1 8 . 1 1 38 38 TYR HA H 38 4.352 4.352 4.259 0.093 18518 4918 1 8 . 1 1 38 38 TYR C C 38 177.316 177.316 176.702 0.614 18518 4919 1 8 . 1 1 38 38 TYR CA C 38 57.712 57.712 57.996 -0.284 18518 4920 1 8 . 1 1 38 38 TYR CB C 38 39.472 39.472 40.026 -0.554 18518 4921 1 8 . 1 1 38 38 TYR H H 38 8.628 8.628 8.421 0.207 18518 4922 1 8 . 1 1 39 39 LYS N N 39 130.635 130.635 126.364 4.271 18518 4923 1 8 . 1 1 39 39 LYS HA H 39 3.822 3.822 3.891 -0.069 18518 4924 1 8 . 1 1 39 39 LYS CA C 39 58.887 58.887 58.520 0.367 18518 4925 1 8 . 1 1 39 39 LYS CB C 39 31.771 31.771 31.918 -0.147 18518 4926 1 8 . 1 1 39 39 LYS H H 39 8.594 8.594 8.326 0.268 18518 4927 1 8 . 1 1 40 40 GLY C C 40 173.447 173.447 173.798 -0.351 18518 4928 1 8 . 1 1 40 40 GLY CA C 40 44.663 44.663 44.170 0.493 18518 4929 1 8 . 1 1 40 40 GLY H H 40 5.188 5.188 6.885 -1.697 18518 4930 1 8 . 1 1 41 41 GLU N N 41 122.836 122.836 120.933 1.903 18518 4931 1 8 . 1 1 41 41 GLU HA H 41 4.257 4.257 4.279 -0.022 18518 4932 1 8 . 1 1 41 41 GLU C C 41 176.524 176.524 176.114 0.410 18518 4933 1 8 . 1 1 41 41 GLU CA C 41 56.525 56.525 56.801 -0.276 18518 4934 1 8 . 1 1 41 41 GLU CB C 41 30.985 30.985 29.877 1.108 18518 4935 1 8 . 1 1 41 41 GLU H H 41 7.380 7.380 7.494 -0.114 18518 4936 1 8 . 1 1 42 42 LYS N N 42 124.040 124.040 125.294 -1.254 18518 4937 1 8 . 1 1 42 42 LYS HA H 42 4.675 4.675 4.460 0.215 18518 4938 1 8 . 1 1 42 42 LYS C C 42 177.538 177.538 176.825 0.713 18518 4939 1 8 . 1 1 42 42 LYS CA C 42 55.840 55.840 56.665 -0.825 18518 4940 1 8 . 1 1 42 42 LYS CB C 42 34.979 34.979 32.937 2.042 18518 4941 1 8 . 1 1 42 42 LYS H H 42 9.034 9.034 8.392 0.642 18518 4942 1 8 . 1 1 43 43 GLN N N 43 119.259 119.259 119.395 -0.136 18518 4943 1 8 . 1 1 43 43 GLN HA H 43 4.542 4.542 4.404 0.138 18518 4944 1 8 . 1 1 43 43 GLN C C 43 177.336 177.336 176.228 1.108 18518 4945 1 8 . 1 1 43 43 GLN CA C 43 57.673 57.673 57.275 0.398 18518 4946 1 8 . 1 1 43 43 GLN CB C 43 30.782 30.782 30.146 0.636 18518 4947 1 8 . 1 1 43 43 GLN H H 43 8.435 8.435 8.810 -0.375 18518 4948 1 8 . 1 1 44 44 LEU N N 44 120.760 120.760 122.956 -2.196 18518 4949 1 8 . 1 1 44 44 LEU HA H 44 4.695 4.695 4.727 -0.032 18518 4950 1 8 . 1 1 44 44 LEU CA C 44 53.245 53.245 52.631 0.614 18518 4951 1 8 . 1 1 44 44 LEU CB C 44 43.596 43.596 42.017 1.579 18518 4952 1 8 . 1 1 44 44 LEU H H 44 9.126 9.126 8.373 0.753 18518 4953 1 8 . 1 1 45 45 PRO HA H 45 4.717 4.717 4.527 0.190 18518 4954 1 8 . 1 1 45 45 PRO C C 45 175.797 175.797 176.185 -0.388 18518 4955 1 8 . 1 1 45 45 PRO CA C 45 62.111 62.111 62.261 -0.150 18518 4956 1 8 . 1 1 45 45 PRO CB C 45 32.592 32.592 32.415 0.177 18518 4957 1 8 . 1 1 46 46 VAL N N 46 119.052 119.052 119.997 -0.945 18518 4958 1 8 . 1 1 46 46 VAL HA H 46 3.867 3.867 4.762 -0.895 18518 4959 1 8 . 1 1 46 46 VAL C C 46 175.640 175.640 176.074 -0.434 18518 4960 1 8 . 1 1 46 46 VAL CA C 46 62.944 62.944 60.702 2.242 18518 4961 1 8 . 1 1 46 46 VAL CB C 46 32.799 32.799 33.813 -1.014 18518 4962 1 8 . 1 1 46 46 VAL H H 46 8.543 8.543 8.107 0.436 18518 4963 1 8 . 1 1 47 47 LEU N N 47 130.203 130.203 125.470 4.733 18518 4964 1 8 . 1 1 47 47 LEU HA H 47 4.309 4.309 4.592 -0.283 18518 4965 1 8 . 1 1 47 47 LEU C C 47 176.198 176.198 177.621 -1.423 18518 4966 1 8 . 1 1 47 47 LEU CA C 47 55.006 55.006 54.952 0.054 18518 4967 1 8 . 1 1 47 47 LEU CB C 47 43.832 43.832 42.200 1.632 18518 4968 1 8 . 1 1 47 47 LEU H H 47 7.799 7.799 8.494 -0.695 18518 4969 1 8 . 1 1 48 48 ASP N N 48 122.403 122.403 121.506 0.897 18518 4970 1 8 . 1 1 48 48 ASP HA H 48 4.263 4.263 4.499 -0.236 18518 4971 1 8 . 1 1 48 48 ASP C C 48 175.294 175.294 176.194 -0.900 18518 4972 1 8 . 1 1 48 48 ASP CA C 48 55.832 55.832 55.628 0.204 18518 4973 1 8 . 1 1 48 48 ASP CB C 48 40.184 40.184 41.615 -1.431 18518 4974 1 8 . 1 1 48 48 ASP H H 48 8.780 8.780 8.703 0.077 18518 4975 1 8 . 1 1 49 49 LYS N N 49 119.569 119.569 116.779 2.790 18518 4976 1 8 . 1 1 49 49 LYS HA H 49 4.585 4.585 4.516 0.069 18518 4977 1 8 . 1 1 49 49 LYS C C 49 174.678 174.678 175.778 -1.100 18518 4978 1 8 . 1 1 49 49 LYS CA C 49 53.652 53.652 54.978 -1.327 18518 4979 1 8 . 1 1 49 49 LYS CB C 49 35.945 35.945 34.324 1.621 18518 4980 1 8 . 1 1 49 49 LYS H H 49 7.280 7.280 7.502 -0.222 18518 4981 1 8 . 1 1 50 50 THR N N 50 110.862 110.862 113.942 -3.080 18518 4982 1 8 . 1 1 50 50 THR HA H 50 4.811 4.811 4.731 0.080 18518 4983 1 8 . 1 1 50 50 THR C C 50 172.425 172.425 173.935 -1.510 18518 4984 1 8 . 1 1 50 50 THR CA C 50 62.645 62.645 62.291 0.354 18518 4985 1 8 . 1 1 50 50 THR CB C 50 71.648 71.648 70.274 1.374 18518 4986 1 8 . 1 1 50 50 THR H H 50 8.042 8.042 8.137 -0.095 18518 4987 1 8 . 1 1 51 51 LYS N N 51 120.008 120.008 121.892 -1.884 18518 4988 1 8 . 1 1 51 51 LYS HA H 51 4.625 4.625 4.787 -0.162 18518 4989 1 8 . 1 1 51 51 LYS C C 51 175.082 175.082 175.640 -0.558 18518 4990 1 8 . 1 1 51 51 LYS CA C 51 54.704 54.704 55.545 -0.841 18518 4991 1 8 . 1 1 51 51 LYS CB C 51 32.376 32.376 33.944 -1.568 18518 4992 1 8 . 1 1 51 51 LYS H H 51 7.119 7.119 7.445 -0.326 18518 4993 1 8 . 1 1 52 52 PHE N N 52 122.640 122.640 121.890 0.750 18518 4994 1 8 . 1 1 52 52 PHE HA H 52 5.337 5.337 4.700 0.637 18518 4995 1 8 . 1 1 52 52 PHE C C 52 174.213 174.213 173.946 0.267 18518 4996 1 8 . 1 1 52 52 PHE CA C 52 56.611 56.611 56.812 -0.201 18518 4997 1 8 . 1 1 52 52 PHE CB C 52 43.140 43.140 42.929 0.210 18518 4998 1 8 . 1 1 52 52 PHE H H 52 9.709 9.709 9.158 0.551 18518 4999 1 8 . 1 1 53 53 LEU N N 53 122.157 122.157 123.669 -1.512 18518 5000 1 8 . 1 1 53 53 LEU HA H 53 4.947 4.947 4.941 0.006 18518 5001 1 8 . 1 1 53 53 LEU C C 53 175.769 175.769 175.545 0.224 18518 5002 1 8 . 1 1 53 53 LEU CA C 53 52.957 52.957 53.694 -0.737 18518 5003 1 8 . 1 1 53 53 LEU CB C 53 44.415 44.415 43.815 0.600 18518 5004 1 8 . 1 1 53 53 LEU H H 53 8.959 8.959 8.427 0.532 18518 5005 1 8 . 1 1 54 54 VAL N N 54 124.919 124.919 120.983 3.936 18518 5006 1 8 . 1 1 54 54 VAL HA H 54 4.559 4.559 4.758 -0.199 18518 5007 1 8 . 1 1 54 54 VAL CA C 54 59.130 59.130 57.487 1.643 18518 5008 1 8 . 1 1 54 54 VAL CB C 54 34.968 34.968 33.864 1.105 18518 5009 1 8 . 1 1 54 54 VAL H H 54 8.922 8.922 8.528 0.394 18518 5010 1 8 . 1 1 55 55 PRO HA H 55 4.441 4.441 4.691 -0.250 18518 5011 1 8 . 1 1 55 55 PRO C C 55 176.594 176.594 177.964 -1.370 18518 5012 1 8 . 1 1 55 55 PRO CA C 55 64.315 64.315 62.383 1.932 18518 5013 1 8 . 1 1 55 55 PRO CB C 55 32.665 32.665 32.243 0.422 18518 5014 1 8 . 1 1 56 56 ASP N N 56 120.522 120.522 121.241 -0.719 18518 5015 1 8 . 1 1 56 56 ASP HA H 56 3.862 3.862 4.268 -0.406 18518 5016 1 8 . 1 1 56 56 ASP C C 56 175.809 175.809 176.484 -0.675 18518 5017 1 8 . 1 1 56 56 ASP CA C 56 56.749 56.749 56.433 0.316 18518 5018 1 8 . 1 1 56 56 ASP CB C 56 40.510 40.510 40.302 0.208 18518 5019 1 8 . 1 1 56 56 ASP H H 56 8.347 8.347 8.742 -0.395 18518 5020 1 8 . 1 1 57 57 HIS N N 57 113.482 113.482 112.746 0.736 18518 5021 1 8 . 1 1 57 57 HIS HA H 57 4.720 4.720 4.727 -0.007 18518 5022 1 8 . 1 1 57 57 HIS C C 57 176.507 176.507 175.257 1.250 18518 5023 1 8 . 1 1 57 57 HIS CA C 57 55.589 55.589 55.404 0.185 18518 5024 1 8 . 1 1 57 57 HIS CB C 57 30.643 30.643 30.129 0.514 18518 5025 1 8 . 1 1 57 57 HIS H H 57 7.557 7.557 7.755 -0.198 18518 5026 1 8 . 1 1 58 58 VAL N N 58 123.279 123.279 117.255 6.024 18518 5027 1 8 . 1 1 58 58 VAL HA H 58 3.836 3.836 4.399 -0.563 18518 5028 1 8 . 1 1 58 58 VAL C C 58 175.019 175.019 174.862 0.157 18518 5029 1 8 . 1 1 58 58 VAL CA C 58 62.823 62.823 61.247 1.576 18518 5030 1 8 . 1 1 58 58 VAL CB C 58 32.310 32.310 33.279 -0.969 18518 5031 1 8 . 1 1 58 58 VAL H H 58 7.345 7.345 7.236 0.109 18518 5032 1 8 . 1 1 59 59 ASN N N 59 123.781 123.781 118.728 5.053 18518 5033 1 8 . 1 1 59 59 ASN HA H 59 5.126 5.126 5.476 -0.350 18518 5034 1 8 . 1 1 59 59 ASN C C 59 176.558 176.558 176.976 -0.418 18518 5035 1 8 . 1 1 59 59 ASN CA C 59 51.485 51.485 51.383 0.102 18518 5036 1 8 . 1 1 59 59 ASN CB C 59 40.107 40.107 41.272 -1.165 18518 5037 1 8 . 1 1 59 59 ASN H H 59 8.735 8.735 8.811 -0.076 18518 5038 1 8 . 1 1 60 60 MET N N 60 117.453 117.453 117.798 -0.345 18518 5039 1 8 . 1 1 60 60 MET HA H 60 4.395 4.395 4.094 0.301 18518 5040 1 8 . 1 1 60 60 MET C C 60 178.144 178.144 178.112 0.032 18518 5041 1 8 . 1 1 60 60 MET CA C 60 57.097 57.097 59.976 -2.879 18518 5042 1 8 . 1 1 60 60 MET CB C 60 30.140 30.140 32.187 -2.047 18518 5043 1 8 . 1 1 60 60 MET H H 60 8.227 8.227 8.344 -0.117 18518 5044 1 8 . 1 1 61 61 SER N N 61 114.216 114.216 115.226 -1.010 18518 5045 1 8 . 1 1 61 61 SER HA H 61 4.111 4.111 4.099 0.012 18518 5046 1 8 . 1 1 61 61 SER C C 61 177.335 177.335 176.407 0.928 18518 5047 1 8 . 1 1 61 61 SER CA C 61 61.590 61.590 62.720 -1.130 18518 5048 1 8 . 1 1 61 61 SER CB C 61 62.402 62.402 62.781 -0.379 18518 5049 1 8 . 1 1 61 61 SER H H 61 8.464 8.464 8.613 -0.149 18518 5050 1 8 . 1 1 62 62 GLU N N 62 123.004 123.004 121.639 1.365 18518 5051 1 8 . 1 1 62 62 GLU HA H 62 4.047 4.047 4.120 -0.073 18518 5052 1 8 . 1 1 62 62 GLU C C 62 178.686 178.686 178.591 0.095 18518 5053 1 8 . 1 1 62 62 GLU CA C 62 58.625 58.625 58.878 -0.253 18518 5054 1 8 . 1 1 62 62 GLU CB C 62 29.654 29.654 28.994 0.659 18518 5055 1 8 . 1 1 62 62 GLU H H 62 7.994 7.994 7.708 0.286 18518 5056 1 8 . 1 1 63 63 LEU N N 63 120.818 120.818 122.491 -1.673 18518 5057 1 8 . 1 1 63 63 LEU HA H 63 3.965 3.965 3.957 0.008 18518 5058 1 8 . 1 1 63 63 LEU C C 63 178.046 178.046 178.722 -0.676 18518 5059 1 8 . 1 1 63 63 LEU CA C 63 57.920 57.920 58.027 -0.107 18518 5060 1 8 . 1 1 63 63 LEU CB C 63 41.624 41.624 41.520 0.104 18518 5061 1 8 . 1 1 63 63 LEU H H 63 8.130 8.130 7.907 0.223 18518 5062 1 8 . 1 1 64 64 ILE N N 64 118.528 118.528 119.466 -0.938 18518 5063 1 8 . 1 1 64 64 ILE HA H 64 3.369 3.369 3.530 -0.161 18518 5064 1 8 . 1 1 64 64 ILE C C 64 177.127 177.127 177.687 -0.560 18518 5065 1 8 . 1 1 64 64 ILE CA C 64 66.678 66.678 65.907 0.770 18518 5066 1 8 . 1 1 64 64 ILE CB C 64 38.444 38.444 37.656 0.788 18518 5067 1 8 . 1 1 64 64 ILE H H 64 8.488 8.488 8.490 -0.002 18518 5068 1 8 . 1 1 65 65 LYS N N 65 118.336 118.336 120.820 -2.484 18518 5069 1 8 . 1 1 65 65 LYS HA H 65 3.701 3.701 3.951 -0.250 18518 5070 1 8 . 1 1 65 65 LYS C C 65 179.291 179.291 179.018 0.273 18518 5071 1 8 . 1 1 65 65 LYS CA C 65 60.440 60.440 60.094 0.346 18518 5072 1 8 . 1 1 65 65 LYS CB C 65 32.371 32.371 32.366 0.005 18518 5073 1 8 . 1 1 65 65 LYS H H 65 7.347 7.347 7.912 -0.565 18518 5074 1 8 . 1 1 66 66 ILE N N 66 120.171 120.171 120.090 0.081 18518 5075 1 8 . 1 1 66 66 ILE HA H 66 3.578 3.578 3.614 -0.036 18518 5076 1 8 . 1 1 66 66 ILE C C 66 178.873 178.873 178.235 0.638 18518 5077 1 8 . 1 1 66 66 ILE CA C 66 65.160 65.160 65.344 -0.183 18518 5078 1 8 . 1 1 66 66 ILE CB C 66 38.633 38.633 37.861 0.772 18518 5079 1 8 . 1 1 66 66 ILE H H 66 7.901 7.901 8.359 -0.458 18518 5080 1 8 . 1 1 67 67 ILE N N 67 121.185 121.185 120.239 0.946 18518 5081 1 8 . 1 1 67 67 ILE HA H 67 3.446 3.446 3.534 -0.088 18518 5082 1 8 . 1 1 67 67 ILE C C 67 177.150 177.150 177.838 -0.688 18518 5083 1 8 . 1 1 67 67 ILE CA C 67 62.806 62.806 64.052 -1.246 18518 5084 1 8 . 1 1 67 67 ILE CB C 67 34.995 34.995 36.977 -1.982 18518 5085 1 8 . 1 1 67 67 ILE H H 67 8.290 8.290 8.183 0.107 18518 5086 1 8 . 1 1 68 68 ARG N N 68 119.173 119.173 119.063 0.110 18518 5087 1 8 . 1 1 68 68 ARG HA H 68 2.931 2.931 3.708 -0.777 18518 5088 1 8 . 1 1 68 68 ARG C C 68 178.496 178.496 178.685 -0.189 18518 5089 1 8 . 1 1 68 68 ARG CA C 68 60.636 60.636 59.859 0.777 18518 5090 1 8 . 1 1 68 68 ARG CB C 68 30.440 30.440 29.781 0.659 18518 5091 1 8 . 1 1 68 68 ARG H H 68 8.438 8.438 8.434 0.004 18518 5092 1 8 . 1 1 69 69 ARG N N 69 116.511 116.511 119.635 -3.124 18518 5093 1 8 . 1 1 69 69 ARG HA H 69 4.134 4.134 3.965 0.169 18518 5094 1 8 . 1 1 69 69 ARG C C 69 180.262 180.262 179.104 1.158 18518 5095 1 8 . 1 1 69 69 ARG CA C 69 58.707 58.707 59.749 -1.042 18518 5096 1 8 . 1 1 69 69 ARG CB C 69 29.953 29.953 30.266 -0.313 18518 5097 1 8 . 1 1 69 69 ARG H H 69 7.497 7.497 8.552 -1.055 18518 5098 1 8 . 1 1 70 70 ARG N N 70 123.297 123.297 119.661 3.636 18518 5099 1 8 . 1 1 70 70 ARG HA H 70 4.016 4.016 4.128 -0.112 18518 5100 1 8 . 1 1 70 70 ARG C C 70 178.700 178.700 178.222 0.478 18518 5101 1 8 . 1 1 70 70 ARG CA C 70 59.460 59.460 58.588 0.872 18518 5102 1 8 . 1 1 70 70 ARG CB C 70 30.312 30.312 29.725 0.587 18518 5103 1 8 . 1 1 70 70 ARG H H 70 8.075 8.075 7.947 0.128 18518 5104 1 8 . 1 1 71 71 LEU N N 71 116.829 116.829 119.080 -2.251 18518 5105 1 8 . 1 1 71 71 LEU HA H 71 4.065 4.065 4.284 -0.219 18518 5106 1 8 . 1 1 71 71 LEU C C 71 174.956 174.956 175.840 -0.884 18518 5107 1 8 . 1 1 71 71 LEU CA C 71 55.126 55.126 54.670 0.456 18518 5108 1 8 . 1 1 71 71 LEU CB C 71 43.246 43.246 42.256 0.990 18518 5109 1 8 . 1 1 71 71 LEU H H 71 7.719 7.719 8.148 -0.429 18518 5110 1 8 . 1 1 72 72 GLN N N 72 114.991 114.991 114.817 0.174 18518 5111 1 8 . 1 1 72 72 GLN HA H 72 3.836 3.836 3.900 -0.064 18518 5112 1 8 . 1 1 72 72 GLN C C 72 175.683 175.683 175.262 0.421 18518 5113 1 8 . 1 1 72 72 GLN CA C 72 56.325 56.325 56.356 -0.031 18518 5114 1 8 . 1 1 72 72 GLN CB C 72 26.004 26.004 25.710 0.294 18518 5115 1 8 . 1 1 72 72 GLN H H 72 7.744 7.744 7.429 0.315 18518 5116 1 8 . 1 1 73 73 LEU N N 73 115.045 115.045 119.503 -4.458 18518 5117 1 8 . 1 1 73 73 LEU HA H 73 4.236 4.236 4.074 0.162 18518 5118 1 8 . 1 1 73 73 LEU C C 73 178.762 178.762 176.990 1.772 18518 5119 1 8 . 1 1 73 73 LEU CA C 73 54.386 54.386 55.199 -0.813 18518 5120 1 8 . 1 1 73 73 LEU CB C 73 42.091 42.091 41.758 0.333 18518 5121 1 8 . 1 1 73 73 LEU H H 73 7.500 7.500 7.830 -0.330 18518 5122 1 8 . 1 1 74 74 ASN N N 74 121.700 121.700 123.081 -1.381 18518 5123 1 8 . 1 1 74 74 ASN HA H 74 4.690 4.690 4.515 0.175 18518 5124 1 8 . 1 1 74 74 ASN C C 74 176.617 176.617 176.214 0.403 18518 5125 1 8 . 1 1 74 74 ASN CA C 74 52.685 52.685 53.898 -1.213 18518 5126 1 8 . 1 1 74 74 ASN CB C 74 39.598 39.598 39.553 0.045 18518 5127 1 8 . 1 1 74 74 ASN H H 74 9.045 9.045 8.658 0.387 18518 5128 1 8 . 1 1 75 75 ALA N N 75 123.952 123.952 124.012 -0.060 18518 5129 1 8 . 1 1 75 75 ALA HA H 75 3.964 3.964 4.261 -0.297 18518 5130 1 8 . 1 1 75 75 ALA C C 75 178.131 178.131 177.984 0.147 18518 5131 1 8 . 1 1 75 75 ALA CA C 75 54.868 54.868 54.029 0.840 18518 5132 1 8 . 1 1 75 75 ALA CB C 75 18.718 18.718 19.122 -0.404 18518 5133 1 8 . 1 1 75 75 ALA H H 75 8.784 8.784 8.501 0.283 18518 5134 1 8 . 1 1 76 76 ASN N N 76 112.295 112.295 115.185 -2.890 18518 5135 1 8 . 1 1 76 76 ASN HA H 76 4.580 4.580 4.643 -0.062 18518 5136 1 8 . 1 1 76 76 ASN C C 76 175.448 175.448 175.080 0.368 18518 5137 1 8 . 1 1 76 76 ASN CA C 76 53.214 53.214 53.660 -0.446 18518 5138 1 8 . 1 1 76 76 ASN CB C 76 38.320 38.320 38.578 -0.258 18518 5139 1 8 . 1 1 76 76 ASN H H 76 8.391 8.391 8.488 -0.097 18518 5140 1 8 . 1 1 77 77 GLN N N 77 120.577 120.577 118.294 2.283 18518 5141 1 8 . 1 1 77 77 GLN HA H 77 4.273 4.273 4.614 -0.341 18518 5142 1 8 . 1 1 77 77 GLN C C 77 175.045 175.045 173.865 1.180 18518 5143 1 8 . 1 1 77 77 GLN CA C 77 55.805 55.805 54.903 0.902 18518 5144 1 8 . 1 1 77 77 GLN CB C 77 30.157 30.157 31.162 -1.005 18518 5145 1 8 . 1 1 77 77 GLN H H 77 7.552 7.552 7.594 -0.042 18518 5146 1 8 . 1 1 78 78 ALA N N 78 130.670 130.670 124.002 6.668 18518 5147 1 8 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.473 -0.302 18518 5148 1 8 . 1 1 78 78 ALA C C 78 176.512 176.512 176.175 0.337 18518 5149 1 8 . 1 1 78 78 ALA CA C 78 52.842 52.842 51.399 1.443 18518 5150 1 8 . 1 1 78 78 ALA CB C 78 20.060 20.060 20.590 -0.530 18518 5151 1 8 . 1 1 78 78 ALA H H 78 8.799 8.799 8.292 0.507 18518 5152 1 8 . 1 1 79 79 PHE N N 79 119.325 119.325 115.389 3.936 18518 5153 1 8 . 1 1 79 79 PHE HA H 79 4.434 4.434 4.635 -0.201 18518 5154 1 8 . 1 1 79 79 PHE C C 79 171.726 171.726 172.876 -1.150 18518 5155 1 8 . 1 1 79 79 PHE CA C 79 59.145 59.145 56.392 2.753 18518 5156 1 8 . 1 1 79 79 PHE CB C 79 42.171 42.171 40.808 1.363 18518 5157 1 8 . 1 1 79 79 PHE H H 79 7.664 7.664 7.925 -0.261 18518 5158 1 8 . 1 1 80 80 PHE N N 80 126.314 126.314 117.231 9.083 18518 5159 1 8 . 1 1 80 80 PHE HA H 80 4.392 4.392 4.671 -0.279 18518 5160 1 8 . 1 1 80 80 PHE C C 80 177.169 177.169 173.316 3.853 18518 5161 1 8 . 1 1 80 80 PHE CA C 80 56.653 56.653 56.392 0.261 18518 5162 1 8 . 1 1 80 80 PHE CB C 80 41.933 41.933 42.933 -1.000 18518 5163 1 8 . 1 1 80 80 PHE H H 80 8.508 8.508 9.063 -0.555 18518 5164 1 8 . 1 1 81 81 LEU N N 81 121.426 121.426 121.327 0.099 18518 5165 1 8 . 1 1 81 81 LEU HA H 81 4.851 4.851 5.245 -0.394 18518 5166 1 8 . 1 1 81 81 LEU C C 81 174.488 174.488 175.074 -0.586 18518 5167 1 8 . 1 1 81 81 LEU CA C 81 53.197 53.197 53.796 -0.599 18518 5168 1 8 . 1 1 81 81 LEU CB C 81 45.100 45.100 45.157 -0.057 18518 5169 1 8 . 1 1 81 81 LEU H H 81 8.229 8.229 8.679 -0.450 18518 5170 1 8 . 1 1 82 82 LEU N N 82 125.155 125.155 127.591 -2.436 18518 5171 1 8 . 1 1 82 82 LEU HA H 82 4.833 4.833 4.615 0.218 18518 5172 1 8 . 1 1 82 82 LEU C C 82 177.166 177.166 175.305 1.861 18518 5173 1 8 . 1 1 82 82 LEU CA C 82 54.197 54.197 54.141 0.056 18518 5174 1 8 . 1 1 82 82 LEU CB C 82 43.442 43.442 43.719 -0.277 18518 5175 1 8 . 1 1 82 82 LEU H H 82 9.400 9.400 9.264 0.136 18518 5176 1 8 . 1 1 83 83 VAL N N 83 123.886 123.886 123.358 0.528 18518 5177 1 8 . 1 1 83 83 VAL HA H 83 4.379 4.379 4.286 0.093 18518 5178 1 8 . 1 1 83 83 VAL C C 83 175.810 175.810 176.894 -1.084 18518 5179 1 8 . 1 1 83 83 VAL CA C 83 61.677 61.677 62.375 -0.698 18518 5180 1 8 . 1 1 83 83 VAL CB C 83 33.758 33.758 31.305 2.453 18518 5181 1 8 . 1 1 83 83 VAL H H 83 8.721 8.721 8.644 0.077 18518 5182 1 8 . 1 1 84 84 ASN N N 84 126.474 126.474 126.645 -0.171 18518 5183 1 8 . 1 1 84 84 ASN HA H 84 4.396 4.396 4.544 -0.148 18518 5184 1 8 . 1 1 84 84 ASN C C 84 175.164 175.164 174.972 0.192 18518 5185 1 8 . 1 1 84 84 ASN CA C 84 54.738 54.738 55.275 -0.537 18518 5186 1 8 . 1 1 84 84 ASN CB C 84 37.950 37.950 38.185 -0.235 18518 5187 1 8 . 1 1 84 84 ASN H H 84 9.707 9.707 9.720 -0.013 18518 5188 1 8 . 1 1 85 85 GLY N N 85 101.296 101.296 104.989 -3.693 18518 5189 1 8 . 1 1 85 85 GLY C C 85 173.680 173.680 173.216 0.464 18518 5190 1 8 . 1 1 85 85 GLY CA C 85 45.603 45.603 44.726 0.877 18518 5191 1 8 . 1 1 85 85 GLY H H 85 8.644 8.644 8.229 0.415 18518 5192 1 8 . 1 1 86 86 HIS N N 86 117.238 117.238 119.367 -2.129 18518 5193 1 8 . 1 1 86 86 HIS HA H 86 5.017 5.017 4.815 0.202 18518 5194 1 8 . 1 1 86 86 HIS C C 86 173.841 173.841 173.863 -0.022 18518 5195 1 8 . 1 1 86 86 HIS CA C 86 53.796 53.796 54.524 -0.728 18518 5196 1 8 . 1 1 86 86 HIS CB C 86 31.280 31.280 31.945 -0.665 18518 5197 1 8 . 1 1 86 86 HIS H H 86 7.918 7.918 8.320 -0.402 18518 5198 1 8 . 1 1 87 87 SER N N 87 118.179 118.179 120.163 -1.984 18518 5199 1 8 . 1 1 87 87 SER HA H 87 4.699 4.699 4.598 0.101 18518 5200 1 8 . 1 1 87 87 SER C C 87 175.904 175.904 174.514 1.390 18518 5201 1 8 . 1 1 87 87 SER CA C 87 58.271 58.271 58.149 0.122 18518 5202 1 8 . 1 1 87 87 SER CB C 87 63.735 63.735 62.079 1.656 18518 5203 1 8 . 1 1 87 87 SER H H 87 8.977 8.977 8.867 0.110 18518 5204 1 8 . 1 1 88 88 MET N N 88 125.472 125.472 122.512 2.960 18518 5205 1 8 . 1 1 88 88 MET HA H 88 4.830 4.830 4.657 0.173 18518 5206 1 8 . 1 1 88 88 MET C C 88 176.419 176.419 175.087 1.332 18518 5207 1 8 . 1 1 88 88 MET CA C 88 54.899 54.899 55.413 -0.513 18518 5208 1 8 . 1 1 88 88 MET CB C 88 33.336 33.336 33.457 -0.121 18518 5209 1 8 . 1 1 88 88 MET H H 88 9.184 9.184 8.188 0.996 18518 5210 1 8 . 1 1 89 89 VAL N N 89 120.747 120.747 120.760 -0.013 18518 5211 1 8 . 1 1 89 89 VAL HA H 89 4.232 4.232 4.372 -0.140 18518 5212 1 8 . 1 1 89 89 VAL C C 89 175.958 175.958 175.659 0.299 18518 5213 1 8 . 1 1 89 89 VAL CA C 89 63.154 63.154 61.346 1.808 18518 5214 1 8 . 1 1 89 89 VAL CB C 89 31.878 31.878 33.321 -1.443 18518 5215 1 8 . 1 1 89 89 VAL H H 89 8.233 8.233 7.550 0.683 18518 5216 1 8 . 1 1 90 90 SER N N 90 117.362 117.362 121.265 -3.903 18518 5217 1 8 . 1 1 90 90 SER HA H 90 4.590 4.590 4.409 0.181 18518 5218 1 8 . 1 1 90 90 SER C C 90 175.741 175.741 174.880 0.861 18518 5219 1 8 . 1 1 90 90 SER CA C 90 57.717 57.717 58.895 -1.178 18518 5220 1 8 . 1 1 90 90 SER CB C 90 63.223 63.223 63.833 -0.610 18518 5221 1 8 . 1 1 90 90 SER H H 90 8.482 8.482 8.499 -0.017 18518 5222 1 8 . 1 1 91 91 VAL N N 91 120.466 120.466 121.021 -0.555 18518 5223 1 8 . 1 1 91 91 VAL HA H 91 4.047 4.047 3.975 0.072 18518 5224 1 8 . 1 1 91 91 VAL C C 91 176.329 176.329 176.545 -0.216 18518 5225 1 8 . 1 1 91 91 VAL CA C 91 63.492 63.492 64.187 -0.695 18518 5226 1 8 . 1 1 91 91 VAL CB C 91 32.568 32.568 31.817 0.751 18518 5227 1 8 . 1 1 91 91 VAL H H 91 8.188 8.188 8.292 -0.104 18518 5228 1 8 . 1 1 92 92 SER N N 92 116.398 116.398 112.787 3.611 18518 5229 1 8 . 1 1 92 92 SER HA H 92 4.636 4.636 4.842 -0.206 18518 5230 1 8 . 1 1 92 92 SER C C 92 174.159 174.159 174.263 -0.104 18518 5231 1 8 . 1 1 92 92 SER CA C 92 57.805 57.805 57.922 -0.117 18518 5232 1 8 . 1 1 92 92 SER CB C 92 63.046 63.046 63.639 -0.593 18518 5233 1 8 . 1 1 92 92 SER H H 92 8.370 8.370 7.904 0.466 18518 5234 1 8 . 1 1 93 93 THR N N 93 119.211 119.211 120.153 -0.942 18518 5235 1 8 . 1 1 93 93 THR HA H 93 4.484 4.484 4.278 0.206 18518 5236 1 8 . 1 1 93 93 THR CA C 93 60.884 60.884 63.128 -2.244 18518 5237 1 8 . 1 1 93 93 THR CB C 93 70.609 70.609 68.952 1.657 18518 5238 1 8 . 1 1 93 93 THR H H 93 7.416 7.416 7.544 -0.128 18518 5239 1 8 . 1 1 94 94 PRO HA H 94 4.440 4.440 4.609 -0.169 18518 5240 1 8 . 1 1 94 94 PRO C C 94 178.775 178.775 177.358 1.417 18518 5241 1 8 . 1 1 94 94 PRO CA C 94 62.943 62.943 62.443 0.500 18518 5242 1 8 . 1 1 94 94 PRO CB C 94 32.649 32.649 32.438 0.211 18518 5243 1 8 . 1 1 95 95 ILE N N 95 124.174 124.174 124.235 -0.061 18518 5244 1 8 . 1 1 95 95 ILE HA H 95 3.949 3.949 3.848 0.101 18518 5245 1 8 . 1 1 95 95 ILE C C 95 176.498 176.498 177.147 -0.649 18518 5246 1 8 . 1 1 95 95 ILE CA C 95 63.904 63.904 62.197 1.707 18518 5247 1 8 . 1 1 95 95 ILE CB C 95 38.182 38.182 38.164 0.018 18518 5248 1 8 . 1 1 95 95 ILE H H 95 9.305 9.305 8.652 0.653 18518 5249 1 8 . 1 1 96 96 SER N N 96 116.920 116.920 115.830 1.090 18518 5250 1 8 . 1 1 96 96 SER HA H 96 4.029 4.029 4.215 -0.186 18518 5251 1 8 . 1 1 96 96 SER C C 96 176.574 176.574 176.211 0.363 18518 5252 1 8 . 1 1 96 96 SER CA C 96 61.356 61.356 62.215 -0.859 18518 5253 1 8 . 1 1 96 96 SER CB C 96 61.723 61.723 62.985 -1.262 18518 5254 1 8 . 1 1 96 96 SER H H 96 8.335 8.335 8.409 -0.074 18518 5255 1 8 . 1 1 97 97 GLU N N 97 123.255 123.255 122.052 1.203 18518 5256 1 8 . 1 1 97 97 GLU HA H 97 4.278 4.278 4.215 0.063 18518 5257 1 8 . 1 1 97 97 GLU C C 97 179.716 179.716 178.932 0.784 18518 5258 1 8 . 1 1 97 97 GLU CA C 97 58.792 58.792 58.992 -0.200 18518 5259 1 8 . 1 1 97 97 GLU CB C 97 29.562 29.562 29.095 0.467 18518 5260 1 8 . 1 1 97 97 GLU H H 97 7.376 7.376 7.760 -0.384 18518 5261 1 8 . 1 1 98 98 VAL N N 98 121.137 121.137 120.852 0.285 18518 5262 1 8 . 1 1 98 98 VAL HA H 98 3.802 3.802 3.629 0.173 18518 5263 1 8 . 1 1 98 98 VAL C C 98 177.637 177.637 178.045 -0.408 18518 5264 1 8 . 1 1 98 98 VAL CA C 98 65.824 65.824 66.701 -0.877 18518 5265 1 8 . 1 1 98 98 VAL CB C 98 32.154 32.154 31.696 0.458 18518 5266 1 8 . 1 1 98 98 VAL H H 98 7.387 7.387 7.776 -0.389 18518 5267 1 8 . 1 1 99 99 TYR N N 99 118.927 118.927 121.237 -2.310 18518 5268 1 8 . 1 1 99 99 TYR HA H 99 3.990 3.990 4.052 -0.062 18518 5269 1 8 . 1 1 99 99 TYR C C 99 176.081 176.081 177.047 -0.966 18518 5270 1 8 . 1 1 99 99 TYR CA C 99 62.223 62.223 61.025 1.198 18518 5271 1 8 . 1 1 99 99 TYR CB C 99 38.982 38.982 38.413 0.570 18518 5272 1 8 . 1 1 99 99 TYR H H 99 9.048 9.048 8.360 0.688 18518 5273 1 8 . 1 1 100 100 GLU N N 100 113.894 113.894 116.828 -2.934 18518 5274 1 8 . 1 1 100 100 GLU HA H 100 3.846 3.846 3.739 0.107 18518 5275 1 8 . 1 1 100 100 GLU C C 100 177.989 177.989 178.575 -0.586 18518 5276 1 8 . 1 1 100 100 GLU CA C 100 59.087 59.087 58.632 0.455 18518 5277 1 8 . 1 1 100 100 GLU CB C 100 29.382 29.382 29.025 0.357 18518 5278 1 8 . 1 1 100 100 GLU H H 100 7.422 7.422 8.100 -0.678 18518 5279 1 8 . 1 1 101 101 SER N N 101 108.991 108.991 113.300 -4.309 18518 5280 1 8 . 1 1 101 101 SER HA H 101 4.524 4.524 4.437 0.087 18518 5281 1 8 . 1 1 101 101 SER C C 101 176.628 176.628 175.558 1.070 18518 5282 1 8 . 1 1 101 101 SER CA C 101 60.349 60.349 59.885 0.464 18518 5283 1 8 . 1 1 101 101 SER CB C 101 64.741 64.741 63.781 0.960 18518 5284 1 8 . 1 1 101 101 SER H H 101 7.424 7.424 7.780 -0.356 18518 5285 1 8 . 1 1 102 102 GLU N N 102 116.533 116.533 119.351 -2.818 18518 5286 1 8 . 1 1 102 102 GLU HA H 102 4.744 4.744 4.601 0.143 18518 5287 1 8 . 1 1 102 102 GLU C C 102 176.774 176.774 175.567 1.207 18518 5288 1 8 . 1 1 102 102 GLU CA C 102 55.581 55.581 56.007 -0.426 18518 5289 1 8 . 1 1 102 102 GLU CB C 102 30.697 30.697 31.056 -0.359 18518 5290 1 8 . 1 1 102 102 GLU H H 102 8.487 8.487 8.094 0.393 18518 5291 1 8 . 1 1 103 103 LYS N N 103 118.370 118.370 119.572 -1.202 18518 5292 1 8 . 1 1 103 103 LYS HA H 103 4.178 4.178 4.015 0.163 18518 5293 1 8 . 1 1 103 103 LYS C C 103 175.018 175.018 176.658 -1.640 18518 5294 1 8 . 1 1 103 103 LYS CA C 103 57.329 57.329 56.923 0.406 18518 5295 1 8 . 1 1 103 103 LYS CB C 103 32.186 32.186 32.039 0.147 18518 5296 1 8 . 1 1 103 103 LYS H H 103 7.831 7.831 7.655 0.176 18518 5297 1 8 . 1 1 104 104 ASP N N 104 123.500 123.500 123.711 -0.211 18518 5298 1 8 . 1 1 104 104 ASP HA H 104 4.755 4.755 4.808 -0.053 18518 5299 1 8 . 1 1 104 104 ASP C C 104 177.383 177.383 177.852 -0.469 18518 5300 1 8 . 1 1 104 104 ASP CA C 104 53.846 53.846 52.709 1.137 18518 5301 1 8 . 1 1 104 104 ASP CB C 104 43.411 43.411 43.082 0.329 18518 5302 1 8 . 1 1 104 104 ASP H H 104 9.041 9.041 8.218 0.823 18518 5303 1 8 . 1 1 105 105 GLU N N 105 125.448 125.448 121.218 4.230 18518 5304 1 8 . 1 1 105 105 GLU HA H 105 4.180 4.180 4.149 0.031 18518 5305 1 8 . 1 1 105 105 GLU C C 105 177.519 177.519 176.522 0.997 18518 5306 1 8 . 1 1 105 105 GLU CA C 105 59.529 59.529 58.987 0.542 18518 5307 1 8 . 1 1 105 105 GLU CB C 105 30.044 30.044 29.781 0.263 18518 5308 1 8 . 1 1 105 105 GLU H H 105 8.906 8.906 8.888 0.018 18518 5309 1 8 . 1 1 106 106 ASP N N 106 118.824 118.824 116.883 1.941 18518 5310 1 8 . 1 1 106 106 ASP HA H 106 4.179 4.179 4.482 -0.303 18518 5311 1 8 . 1 1 106 106 ASP C C 106 176.223 176.223 176.874 -0.651 18518 5312 1 8 . 1 1 106 106 ASP CA C 106 54.756 54.756 54.247 0.509 18518 5313 1 8 . 1 1 106 106 ASP CB C 106 39.999 39.999 40.471 -0.472 18518 5314 1 8 . 1 1 106 106 ASP H H 106 10.036 10.036 8.136 1.900 18518 5315 1 8 . 1 1 107 107 GLY N N 107 105.866 105.866 106.236 -0.370 18518 5316 1 8 . 1 1 107 107 GLY C C 107 175.136 175.136 173.806 1.330 18518 5317 1 8 . 1 1 107 107 GLY CA C 107 45.222 45.222 45.579 -0.357 18518 5318 1 8 . 1 1 107 107 GLY H H 107 8.001 8.001 7.791 0.210 18518 5319 1 8 . 1 1 108 108 PHE N N 108 123.820 123.820 120.310 3.510 18518 5320 1 8 . 1 1 108 108 PHE HA H 108 4.662 4.662 4.982 -0.320 18518 5321 1 8 . 1 1 108 108 PHE C C 108 174.899 174.899 174.576 0.323 18518 5322 1 8 . 1 1 108 108 PHE CA C 108 60.238 60.238 57.789 2.449 18518 5323 1 8 . 1 1 108 108 PHE CB C 108 40.365 40.365 40.944 -0.579 18518 5324 1 8 . 1 1 108 108 PHE H H 108 9.912 9.912 7.785 2.127 18518 5325 1 8 . 1 1 109 109 LEU N N 109 120.130 120.130 122.711 -2.581 18518 5326 1 8 . 1 1 109 109 LEU HA H 109 5.030 5.030 4.864 0.166 18518 5327 1 8 . 1 1 109 109 LEU C C 109 173.916 173.916 174.815 -0.899 18518 5328 1 8 . 1 1 109 109 LEU CA C 109 53.424 53.424 53.757 -0.333 18518 5329 1 8 . 1 1 109 109 LEU CB C 109 45.203 45.203 43.983 1.220 18518 5330 1 8 . 1 1 109 109 LEU H H 109 7.997 7.997 8.663 -0.666 18518 5331 1 8 . 1 1 110 110 TYR N N 110 126.579 126.579 125.293 1.286 18518 5332 1 8 . 1 1 110 110 TYR HA H 110 5.003 5.003 4.631 0.372 18518 5333 1 8 . 1 1 110 110 TYR C C 110 176.671 176.671 174.866 1.805 18518 5334 1 8 . 1 1 110 110 TYR CA C 110 59.058 59.058 58.737 0.321 18518 5335 1 8 . 1 1 110 110 TYR CB C 110 39.556 39.556 39.055 0.501 18518 5336 1 8 . 1 1 110 110 TYR H H 110 9.377 9.377 9.023 0.354 18518 5337 1 8 . 1 1 111 111 MET N N 111 119.240 119.240 122.806 -3.566 18518 5338 1 8 . 1 1 111 111 MET HA H 111 5.486 5.486 5.209 0.277 18518 5339 1 8 . 1 1 111 111 MET C C 111 175.695 175.695 174.522 1.173 18518 5340 1 8 . 1 1 111 111 MET CA C 111 54.124 54.124 54.657 -0.533 18518 5341 1 8 . 1 1 111 111 MET CB C 111 36.960 36.960 36.979 -0.019 18518 5342 1 8 . 1 1 111 111 MET H H 111 9.658 9.658 8.870 0.788 18518 5343 1 8 . 1 1 112 112 VAL N N 112 119.865 119.865 119.279 0.586 18518 5344 1 8 . 1 1 112 112 VAL HA H 112 5.963 5.963 5.607 0.356 18518 5345 1 8 . 1 1 112 112 VAL C C 112 175.058 175.058 174.348 0.710 18518 5346 1 8 . 1 1 112 112 VAL CA C 112 58.911 58.911 59.439 -0.528 18518 5347 1 8 . 1 1 112 112 VAL CB C 112 36.051 36.051 34.518 1.533 18518 5348 1 8 . 1 1 112 112 VAL H H 112 8.794 8.794 9.118 -0.324 18518 5349 1 8 . 1 1 113 113 TYR N N 113 119.664 119.664 121.055 -1.391 18518 5350 1 8 . 1 1 113 113 TYR HA H 113 6.118 6.118 5.664 0.454 18518 5351 1 8 . 1 1 113 113 TYR C C 113 173.375 173.375 173.517 -0.142 18518 5352 1 8 . 1 1 113 113 TYR CA C 113 54.153 54.153 55.315 -1.162 18518 5353 1 8 . 1 1 113 113 TYR CB C 113 43.312 43.312 41.975 1.337 18518 5354 1 8 . 1 1 113 113 TYR H H 113 8.315 8.315 8.699 -0.384 18518 5355 1 8 . 1 1 114 114 ALA N N 114 119.763 119.763 122.173 -2.410 18518 5356 1 8 . 1 1 114 114 ALA HA H 114 4.800 4.800 4.835 -0.035 18518 5357 1 8 . 1 1 114 114 ALA C C 114 176.216 176.216 175.157 1.059 18518 5358 1 8 . 1 1 114 114 ALA CA C 114 51.132 51.132 51.880 -0.748 18518 5359 1 8 . 1 1 114 114 ALA CB C 114 24.596 24.596 22.217 2.379 18518 5360 1 8 . 1 1 114 114 ALA H H 114 8.465 8.465 8.933 -0.468 18518 5361 1 8 . 1 1 115 115 SER N N 115 114.763 114.763 115.932 -1.169 18518 5362 1 8 . 1 1 115 115 SER HA H 115 4.496 4.496 4.895 -0.399 18518 5363 1 8 . 1 1 115 115 SER C C 115 172.671 172.671 173.679 -1.008 18518 5364 1 8 . 1 1 115 115 SER CA C 115 58.651 58.651 57.445 1.206 18518 5365 1 8 . 1 1 115 115 SER CB C 115 63.526 63.526 61.629 1.897 18518 5366 1 8 . 1 1 115 115 SER H H 115 9.915 9.915 8.934 0.981 18518 5367 1 8 . 1 1 116 116 GLN N N 116 116.611 116.611 124.750 -8.139 18518 5368 1 8 . 1 1 116 116 GLN HA H 116 4.484 4.484 4.551 -0.067 18518 5369 1 8 . 1 1 116 116 GLN C C 116 172.733 172.733 173.975 -1.242 18518 5370 1 8 . 1 1 116 116 GLN CA C 116 53.926 53.926 56.053 -2.127 18518 5371 1 8 . 1 1 116 116 GLN CB C 116 32.358 32.358 31.444 0.914 18518 5372 1 8 . 1 1 116 116 GLN H H 116 7.219 7.219 7.842 -0.623 18518 5373 1 8 . 1 1 117 117 GLU N N 117 117.623 117.623 123.068 -5.445 18518 5374 1 8 . 1 1 117 117 GLU HA H 117 3.287 3.287 2.961 0.326 18518 5375 1 8 . 1 1 117 117 GLU C C 117 175.168 175.168 175.406 -0.238 18518 5376 1 8 . 1 1 117 117 GLU CA C 117 56.882 56.882 57.328 -0.446 18518 5377 1 8 . 1 1 117 117 GLU CB C 117 30.522 30.522 29.694 0.828 18518 5378 1 8 . 1 1 117 117 GLU H H 117 7.882 7.882 8.480 -0.598 18518 5379 1 8 . 1 1 118 118 THR N N 118 109.820 109.820 108.479 1.341 18518 5380 1 8 . 1 1 118 118 THR HA H 118 4.066 4.066 4.330 -0.264 18518 5381 1 8 . 1 1 118 118 THR C C 118 172.355 172.355 173.671 -1.316 18518 5382 1 8 . 1 1 118 118 THR CA C 118 60.029 60.029 60.674 -0.645 18518 5383 1 8 . 1 1 118 118 THR CB C 118 70.480 70.480 69.987 0.493 18518 5384 1 8 . 1 1 118 118 THR H H 118 6.992 6.992 7.270 -0.278 18518 5385 1 9 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.894 -0.558 18518 5386 1 9 . 1 1 2 2 ALA C C 2 177.974 177.974 175.366 2.608 18518 5387 1 9 . 1 1 2 2 ALA CA C 2 52.785 52.785 51.768 1.017 18518 5388 1 9 . 1 1 2 2 ALA CB C 2 19.444 19.444 20.426 -0.982 18518 5389 1 9 . 1 1 3 3 MET N N 3 119.311 119.311 119.355 -0.044 18518 5390 1 9 . 1 1 3 3 MET HA H 3 4.451 4.451 4.765 -0.314 18518 5391 1 9 . 1 1 3 3 MET C C 3 176.913 176.913 175.890 1.023 18518 5392 1 9 . 1 1 3 3 MET CA C 3 55.679 55.679 54.940 0.739 18518 5393 1 9 . 1 1 3 3 MET CB C 3 32.590 32.590 35.924 -3.334 18518 5394 1 9 . 1 1 3 3 MET H H 3 8.638 8.638 8.645 -0.007 18518 5395 1 9 . 1 1 4 4 GLY N N 4 110.281 110.281 110.036 0.245 18518 5396 1 9 . 1 1 4 4 GLY C C 4 174.180 174.180 173.930 0.250 18518 5397 1 9 . 1 1 4 4 GLY CA C 4 45.495 45.495 44.936 0.559 18518 5398 1 9 . 1 1 4 4 GLY H H 4 8.552 8.552 8.482 0.070 18518 5399 1 9 . 1 1 5 5 LYS N N 5 120.818 120.818 124.648 -3.830 18518 5400 1 9 . 1 1 5 5 LYS HA H 5 4.509 4.509 4.638 -0.129 18518 5401 1 9 . 1 1 5 5 LYS C C 5 177.605 177.605 176.470 1.135 18518 5402 1 9 . 1 1 5 5 LYS CA C 5 56.134 56.134 55.425 0.709 18518 5403 1 9 . 1 1 5 5 LYS CB C 5 34.813 34.813 33.980 0.833 18518 5404 1 9 . 1 1 5 5 LYS H H 5 8.133 8.133 7.821 0.312 18518 5405 1 9 . 1 1 6 6 THR N N 6 114.781 114.781 111.724 3.057 18518 5406 1 9 . 1 1 6 6 THR HA H 6 4.421 4.421 4.534 -0.113 18518 5407 1 9 . 1 1 6 6 THR C C 6 175.524 175.524 176.026 -0.502 18518 5408 1 9 . 1 1 6 6 THR CA C 6 61.127 61.127 60.706 0.421 18518 5409 1 9 . 1 1 6 6 THR CB C 6 69.926 69.926 70.573 -0.647 18518 5410 1 9 . 1 1 6 6 THR H H 6 8.483 8.483 8.054 0.429 18518 5411 1 9 . 1 1 7 7 PHE N N 7 125.552 125.552 119.788 5.764 18518 5412 1 9 . 1 1 7 7 PHE HA H 7 4.005 4.005 4.232 -0.227 18518 5413 1 9 . 1 1 7 7 PHE C C 7 177.397 177.397 177.054 0.343 18518 5414 1 9 . 1 1 7 7 PHE CA C 7 63.393 63.393 61.011 2.382 18518 5415 1 9 . 1 1 7 7 PHE CB C 7 39.567 39.567 38.342 1.226 18518 5416 1 9 . 1 1 7 7 PHE H H 7 10.245 10.245 9.026 1.219 18518 5417 1 9 . 1 1 8 8 LYS N N 8 114.053 114.053 117.436 -3.383 18518 5418 1 9 . 1 1 8 8 LYS HA H 8 3.835 3.835 3.714 0.121 18518 5419 1 9 . 1 1 8 8 LYS C C 8 175.520 175.520 178.779 -3.259 18518 5420 1 9 . 1 1 8 8 LYS CA C 8 59.993 59.993 58.306 1.687 18518 5421 1 9 . 1 1 8 8 LYS CB C 8 33.689 33.689 31.208 2.481 18518 5422 1 9 . 1 1 8 8 LYS H H 8 8.775 8.775 6.339 2.436 18518 5423 1 9 . 1 1 9 9 GLN N N 9 113.516 113.516 118.310 -4.794 18518 5424 1 9 . 1 1 9 9 GLN HA H 9 4.149 4.149 4.071 0.078 18518 5425 1 9 . 1 1 9 9 GLN C C 9 177.615 177.615 178.174 -0.559 18518 5426 1 9 . 1 1 9 9 GLN CA C 9 56.819 56.819 58.336 -1.517 18518 5427 1 9 . 1 1 9 9 GLN CB C 9 30.019 30.019 28.660 1.359 18518 5428 1 9 . 1 1 9 9 GLN H H 9 7.355 7.355 7.707 -0.352 18518 5429 1 9 . 1 1 10 10 ARG N N 10 118.294 118.294 116.221 2.073 18518 5430 1 9 . 1 1 10 10 ARG HA H 10 4.302 4.302 4.258 0.044 18518 5431 1 9 . 1 1 10 10 ARG C C 10 179.380 179.380 176.878 2.502 18518 5432 1 9 . 1 1 10 10 ARG CA C 10 57.268 57.268 57.048 0.220 18518 5433 1 9 . 1 1 10 10 ARG CB C 10 31.642 31.642 30.660 0.982 18518 5434 1 9 . 1 1 10 10 ARG H H 10 7.936 7.936 7.560 0.376 18518 5435 1 9 . 1 1 11 11 ARG N N 11 121.137 121.137 120.125 1.012 18518 5436 1 9 . 1 1 11 11 ARG HA H 11 4.680 4.680 4.602 0.078 18518 5437 1 9 . 1 1 11 11 ARG CA C 11 53.453 53.453 54.712 -1.259 18518 5438 1 9 . 1 1 11 11 ARG CB C 11 32.938 32.938 32.211 0.727 18518 5439 1 9 . 1 1 11 11 ARG H H 11 7.390 7.390 7.365 0.025 18518 5440 1 9 . 1 1 12 12 THR N N 12 116.819 116.819 119.337 -2.518 18518 5441 1 9 . 1 1 12 12 THR HA H 12 4.359 4.359 4.251 0.108 18518 5442 1 9 . 1 1 12 12 THR C C 12 174.989 174.989 176.247 -1.258 18518 5443 1 9 . 1 1 12 12 THR CA C 12 61.748 61.748 63.223 -1.475 18518 5444 1 9 . 1 1 12 12 THR CB C 12 71.068 71.068 70.063 1.005 18518 5445 1 9 . 1 1 12 12 THR H H 12 8.953 8.953 8.638 0.315 18518 5446 1 9 . 1 1 13 13 PHE N N 13 123.200 123.200 123.611 -0.411 18518 5447 1 9 . 1 1 13 13 PHE HA H 13 4.028 4.028 4.168 -0.140 18518 5448 1 9 . 1 1 13 13 PHE C C 13 176.029 176.029 176.991 -0.962 18518 5449 1 9 . 1 1 13 13 PHE CA C 13 62.864 62.864 62.222 0.642 18518 5450 1 9 . 1 1 13 13 PHE CB C 13 39.560 39.560 39.214 0.346 18518 5451 1 9 . 1 1 13 13 PHE H H 13 9.284 9.284 9.008 0.276 18518 5452 1 9 . 1 1 14 14 GLU N N 14 115.414 115.414 117.520 -2.106 18518 5453 1 9 . 1 1 14 14 GLU HA H 14 3.794 3.794 3.975 -0.181 18518 5454 1 9 . 1 1 14 14 GLU C C 14 180.081 180.081 178.918 1.163 18518 5455 1 9 . 1 1 14 14 GLU CA C 14 60.619 60.619 59.731 0.888 18518 5456 1 9 . 1 1 14 14 GLU CB C 14 28.852 28.852 29.100 -0.248 18518 5457 1 9 . 1 1 14 14 GLU H H 14 8.973 8.973 8.738 0.235 18518 5458 1 9 . 1 1 15 15 GLN N N 15 119.276 119.276 118.664 0.612 18518 5459 1 9 . 1 1 15 15 GLN HA H 15 4.000 4.000 4.101 -0.101 18518 5460 1 9 . 1 1 15 15 GLN C C 15 177.978 177.978 178.568 -0.590 18518 5461 1 9 . 1 1 15 15 GLN CA C 15 58.835 58.835 58.494 0.341 18518 5462 1 9 . 1 1 15 15 GLN CB C 15 29.370 29.370 28.003 1.367 18518 5463 1 9 . 1 1 15 15 GLN H H 15 7.756 7.756 8.070 -0.314 18518 5464 1 9 . 1 1 16 16 ARG N N 16 121.336 121.336 119.932 1.404 18518 5465 1 9 . 1 1 16 16 ARG HA H 16 4.270 4.270 4.044 0.226 18518 5466 1 9 . 1 1 16 16 ARG C C 16 177.416 177.416 178.687 -1.271 18518 5467 1 9 . 1 1 16 16 ARG CA C 16 61.375 61.375 59.397 1.978 18518 5468 1 9 . 1 1 16 16 ARG CB C 16 30.605 30.605 30.003 0.602 18518 5469 1 9 . 1 1 16 16 ARG H H 16 8.645 8.645 7.803 0.842 18518 5470 1 9 . 1 1 17 17 VAL N N 17 117.630 117.630 120.714 -3.084 18518 5471 1 9 . 1 1 17 17 VAL HA H 17 3.857 3.857 3.911 -0.054 18518 5472 1 9 . 1 1 17 17 VAL C C 17 179.748 179.748 177.267 2.481 18518 5473 1 9 . 1 1 17 17 VAL CA C 17 65.726 65.726 65.350 0.376 18518 5474 1 9 . 1 1 17 17 VAL CB C 17 32.194 32.194 31.951 0.243 18518 5475 1 9 . 1 1 17 17 VAL H H 17 8.373 8.373 7.915 0.458 18518 5476 1 9 . 1 1 18 18 GLU N N 18 120.864 120.864 119.565 1.299 18518 5477 1 9 . 1 1 18 18 GLU HA H 18 4.302 4.302 3.910 0.392 18518 5478 1 9 . 1 1 18 18 GLU C C 18 177.728 177.728 178.261 -0.533 18518 5479 1 9 . 1 1 18 18 GLU CA C 18 58.486 58.486 60.000 -1.514 18518 5480 1 9 . 1 1 18 18 GLU CB C 18 29.382 29.382 29.348 0.034 18518 5481 1 9 . 1 1 18 18 GLU H H 18 7.368 7.368 8.163 -0.795 18518 5482 1 9 . 1 1 19 19 ASP N N 19 121.425 121.425 119.830 1.595 18518 5483 1 9 . 1 1 19 19 ASP HA H 19 4.434 4.434 4.386 0.048 18518 5484 1 9 . 1 1 19 19 ASP C C 19 179.978 179.978 178.531 1.447 18518 5485 1 9 . 1 1 19 19 ASP CA C 19 57.422 57.422 57.223 0.199 18518 5486 1 9 . 1 1 19 19 ASP CB C 19 41.287 41.287 40.964 0.323 18518 5487 1 9 . 1 1 19 19 ASP H H 19 8.671 8.671 7.776 0.895 18518 5488 1 9 . 1 1 20 20 VAL N N 20 119.730 119.730 120.347 -0.617 18518 5489 1 9 . 1 1 20 20 VAL HA H 20 3.205 3.205 3.295 -0.090 18518 5490 1 9 . 1 1 20 20 VAL C C 20 176.284 176.284 177.858 -1.574 18518 5491 1 9 . 1 1 20 20 VAL CA C 20 66.315 66.315 66.311 0.004 18518 5492 1 9 . 1 1 20 20 VAL CB C 20 31.107 31.107 31.599 -0.492 18518 5493 1 9 . 1 1 20 20 VAL H H 20 7.999 7.999 7.716 0.283 18518 5494 1 9 . 1 1 21 21 ARG N N 21 121.455 121.455 119.548 1.907 18518 5495 1 9 . 1 1 21 21 ARG HA H 21 3.814 3.814 3.976 -0.162 18518 5496 1 9 . 1 1 21 21 ARG C C 21 180.120 180.120 178.656 1.464 18518 5497 1 9 . 1 1 21 21 ARG CA C 21 59.830 59.830 58.809 1.021 18518 5498 1 9 . 1 1 21 21 ARG CB C 21 29.946 29.946 28.985 0.961 18518 5499 1 9 . 1 1 21 21 ARG H H 21 8.098 8.098 7.825 0.273 18518 5500 1 9 . 1 1 22 22 LEU N N 22 117.826 117.826 120.640 -2.814 18518 5501 1 9 . 1 1 22 22 LEU HA H 22 4.049 4.049 3.947 0.102 18518 5502 1 9 . 1 1 22 22 LEU C C 22 180.115 180.115 179.152 0.963 18518 5503 1 9 . 1 1 22 22 LEU CA C 22 57.790 57.790 58.082 -0.292 18518 5504 1 9 . 1 1 22 22 LEU CB C 22 42.142 42.142 41.867 0.275 18518 5505 1 9 . 1 1 22 22 LEU H H 22 8.207 8.207 8.111 0.096 18518 5506 1 9 . 1 1 23 23 ILE N N 23 121.450 121.450 118.622 2.828 18518 5507 1 9 . 1 1 23 23 ILE HA H 23 4.013 4.013 3.694 0.319 18518 5508 1 9 . 1 1 23 23 ILE C C 23 178.149 178.149 178.360 -0.211 18518 5509 1 9 . 1 1 23 23 ILE CA C 23 62.171 62.171 63.785 -1.614 18518 5510 1 9 . 1 1 23 23 ILE CB C 23 38.106 38.106 36.751 1.355 18518 5511 1 9 . 1 1 23 23 ILE H H 23 8.105 8.105 7.914 0.191 18518 5512 1 9 . 1 1 24 24 ARG N N 24 121.139 121.139 119.129 2.010 18518 5513 1 9 . 1 1 24 24 ARG HA H 24 3.987 3.987 4.245 -0.258 18518 5514 1 9 . 1 1 24 24 ARG C C 24 178.702 178.702 178.872 -0.170 18518 5515 1 9 . 1 1 24 24 ARG CA C 24 57.718 57.718 59.185 -1.468 18518 5516 1 9 . 1 1 24 24 ARG CB C 24 28.769 28.769 29.811 -1.042 18518 5517 1 9 . 1 1 24 24 ARG H H 24 8.601 8.601 8.577 0.024 18518 5518 1 9 . 1 1 25 25 GLU N N 25 118.054 118.054 119.446 -1.392 18518 5519 1 9 . 1 1 25 25 GLU HA H 25 4.026 4.026 4.137 -0.111 18518 5520 1 9 . 1 1 25 25 GLU C C 25 178.492 178.492 178.180 0.312 18518 5521 1 9 . 1 1 25 25 GLU CA C 25 58.780 58.780 58.573 0.207 18518 5522 1 9 . 1 1 25 25 GLU CB C 25 30.001 30.001 29.557 0.444 18518 5523 1 9 . 1 1 25 25 GLU H H 25 7.423 7.423 7.851 -0.428 18518 5524 1 9 . 1 1 26 26 GLN N N 26 116.350 116.350 117.025 -0.675 18518 5525 1 9 . 1 1 26 26 GLN HA H 26 3.936 3.936 4.056 -0.120 18518 5526 1 9 . 1 1 26 26 GLN C C 26 176.305 176.305 176.977 -0.672 18518 5527 1 9 . 1 1 26 26 GLN CA C 26 57.503 57.503 57.445 0.058 18518 5528 1 9 . 1 1 26 26 GLN CB C 26 30.207 30.207 29.278 0.929 18518 5529 1 9 . 1 1 26 26 GLN H H 26 7.524 7.524 7.630 -0.106 18518 5530 1 9 . 1 1 27 27 HIS N N 27 116.017 116.017 118.986 -2.969 18518 5531 1 9 . 1 1 27 27 HIS HA H 27 4.930 4.930 5.068 -0.138 18518 5532 1 9 . 1 1 27 27 HIS CA C 27 53.054 53.054 52.664 0.390 18518 5533 1 9 . 1 1 27 27 HIS CB C 27 30.747 30.747 29.491 1.256 18518 5534 1 9 . 1 1 27 27 HIS H H 27 8.284 8.284 8.147 0.137 18518 5535 1 9 . 1 1 28 28 PRO HA H 28 4.581 4.581 4.644 -0.063 18518 5536 1 9 . 1 1 28 28 PRO CA C 28 64.919 64.919 64.364 0.555 18518 5537 1 9 . 1 1 28 28 PRO CB C 28 32.455 32.455 32.333 0.122 18518 5538 1 9 . 1 1 29 29 THR N N 29 107.011 107.011 105.199 1.812 18518 5539 1 9 . 1 1 29 29 THR HA H 29 4.599 4.599 4.423 0.176 18518 5540 1 9 . 1 1 29 29 THR C C 29 172.884 172.884 173.759 -0.875 18518 5541 1 9 . 1 1 29 29 THR CA C 29 60.810 60.810 61.522 -0.712 18518 5542 1 9 . 1 1 29 29 THR CB C 29 68.531 68.531 68.711 -0.180 18518 5543 1 9 . 1 1 29 29 THR H H 29 7.890 7.890 8.196 -0.306 18518 5544 1 9 . 1 1 30 30 LYS N N 30 117.679 117.679 121.294 -3.615 18518 5545 1 9 . 1 1 30 30 LYS HA H 30 4.858 4.858 4.963 -0.105 18518 5546 1 9 . 1 1 30 30 LYS C C 30 174.310 174.310 175.021 -0.711 18518 5547 1 9 . 1 1 30 30 LYS CA C 30 53.751 53.751 54.099 -0.348 18518 5548 1 9 . 1 1 30 30 LYS CB C 30 35.804 35.804 35.779 0.025 18518 5549 1 9 . 1 1 30 30 LYS H H 30 7.441 7.441 7.537 -0.096 18518 5550 1 9 . 1 1 31 31 ILE N N 31 122.849 122.849 123.758 -0.909 18518 5551 1 9 . 1 1 31 31 ILE HA H 31 4.105 4.105 4.308 -0.203 18518 5552 1 9 . 1 1 31 31 ILE CA C 31 54.801 54.801 57.892 -3.091 18518 5553 1 9 . 1 1 31 31 ILE CB C 31 38.265 38.265 39.279 -1.014 18518 5554 1 9 . 1 1 31 31 ILE H H 31 9.304 9.304 8.851 0.453 18518 5555 1 9 . 1 1 32 32 PRO HA H 32 5.159 5.159 4.871 0.288 18518 5556 1 9 . 1 1 32 32 PRO C C 32 174.164 174.164 176.022 -1.858 18518 5557 1 9 . 1 1 32 32 PRO CA C 32 61.503 61.503 62.468 -0.965 18518 5558 1 9 . 1 1 32 32 PRO CB C 32 31.145 31.145 31.157 -0.012 18518 5559 1 9 . 1 1 33 33 VAL N N 33 125.606 125.606 124.385 1.221 18518 5560 1 9 . 1 1 33 33 VAL HA H 33 5.213 5.213 4.978 0.235 18518 5561 1 9 . 1 1 33 33 VAL C C 33 173.654 173.654 173.522 0.132 18518 5562 1 9 . 1 1 33 33 VAL CA C 33 60.044 60.044 58.990 1.054 18518 5563 1 9 . 1 1 33 33 VAL CB C 33 35.604 35.604 36.024 -0.420 18518 5564 1 9 . 1 1 33 33 VAL H H 33 9.424 9.424 8.827 0.597 18518 5565 1 9 . 1 1 34 34 ILE N N 34 128.241 128.241 125.771 2.470 18518 5566 1 9 . 1 1 34 34 ILE HA H 34 4.833 4.833 4.431 0.402 18518 5567 1 9 . 1 1 34 34 ILE C C 34 175.605 175.605 174.807 0.798 18518 5568 1 9 . 1 1 34 34 ILE CA C 34 56.765 56.765 57.848 -1.083 18518 5569 1 9 . 1 1 34 34 ILE CB C 34 36.799 36.799 38.163 -1.364 18518 5570 1 9 . 1 1 34 34 ILE H H 34 8.721 8.721 8.540 0.181 18518 5571 1 9 . 1 1 35 35 ILE N N 35 125.650 125.650 127.864 -2.214 18518 5572 1 9 . 1 1 35 35 ILE HA H 35 4.836 4.836 4.397 0.439 18518 5573 1 9 . 1 1 35 35 ILE C C 35 174.887 174.887 174.262 0.625 18518 5574 1 9 . 1 1 35 35 ILE CA C 35 60.945 60.945 60.191 0.754 18518 5575 1 9 . 1 1 35 35 ILE CB C 35 39.210 39.210 38.578 0.632 18518 5576 1 9 . 1 1 35 35 ILE H H 35 9.034 9.034 8.611 0.423 18518 5577 1 9 . 1 1 36 36 GLU N N 36 122.657 122.657 127.533 -4.876 18518 5578 1 9 . 1 1 36 36 GLU HA H 36 4.861 4.861 4.872 -0.011 18518 5579 1 9 . 1 1 36 36 GLU C C 36 173.848 173.848 175.085 -1.237 18518 5580 1 9 . 1 1 36 36 GLU CA C 36 53.932 53.932 54.075 -0.143 18518 5581 1 9 . 1 1 36 36 GLU CB C 36 35.282 35.282 34.181 1.101 18518 5582 1 9 . 1 1 36 36 GLU H H 36 8.303 8.303 8.522 -0.219 18518 5583 1 9 . 1 1 37 37 ARG N N 37 123.228 123.228 127.641 -4.413 18518 5584 1 9 . 1 1 37 37 ARG HA H 37 2.726 2.726 3.784 -1.058 18518 5585 1 9 . 1 1 37 37 ARG C C 37 176.359 176.359 175.730 0.629 18518 5586 1 9 . 1 1 37 37 ARG CA C 37 56.359 56.359 56.866 -0.507 18518 5587 1 9 . 1 1 37 37 ARG CB C 37 31.341 31.341 30.509 0.832 18518 5588 1 9 . 1 1 37 37 ARG H H 37 8.856 8.856 8.840 0.016 18518 5589 1 9 . 1 1 38 38 TYR N N 38 128.981 128.981 128.781 0.200 18518 5590 1 9 . 1 1 38 38 TYR HA H 38 4.352 4.352 4.309 0.043 18518 5591 1 9 . 1 1 38 38 TYR C C 38 177.316 177.316 176.369 0.947 18518 5592 1 9 . 1 1 38 38 TYR CA C 38 57.712 57.712 57.907 -0.195 18518 5593 1 9 . 1 1 38 38 TYR CB C 38 39.472 39.472 40.187 -0.715 18518 5594 1 9 . 1 1 38 38 TYR H H 38 8.628 8.628 8.100 0.528 18518 5595 1 9 . 1 1 39 39 LYS N N 39 130.635 130.635 125.146 5.489 18518 5596 1 9 . 1 1 39 39 LYS HA H 39 3.822 3.822 3.761 0.061 18518 5597 1 9 . 1 1 39 39 LYS CA C 39 58.887 58.887 58.350 0.537 18518 5598 1 9 . 1 1 39 39 LYS CB C 39 31.771 31.771 31.886 -0.115 18518 5599 1 9 . 1 1 39 39 LYS H H 39 8.594 8.594 8.164 0.430 18518 5600 1 9 . 1 1 40 40 GLY C C 40 173.447 173.447 173.502 -0.055 18518 5601 1 9 . 1 1 40 40 GLY CA C 40 44.663 44.663 43.854 0.809 18518 5602 1 9 . 1 1 40 40 GLY H H 40 5.188 5.188 6.475 -1.287 18518 5603 1 9 . 1 1 41 41 GLU N N 41 122.836 122.836 121.617 1.219 18518 5604 1 9 . 1 1 41 41 GLU HA H 41 4.257 4.257 4.330 -0.073 18518 5605 1 9 . 1 1 41 41 GLU C C 41 176.524 176.524 176.015 0.509 18518 5606 1 9 . 1 1 41 41 GLU CA C 41 56.525 56.525 57.136 -0.611 18518 5607 1 9 . 1 1 41 41 GLU CB C 41 30.985 30.985 29.689 1.296 18518 5608 1 9 . 1 1 41 41 GLU H H 41 7.380 7.380 7.863 -0.483 18518 5609 1 9 . 1 1 42 42 LYS N N 42 124.040 124.040 125.377 -1.337 18518 5610 1 9 . 1 1 42 42 LYS HA H 42 4.675 4.675 4.460 0.215 18518 5611 1 9 . 1 1 42 42 LYS C C 42 177.538 177.538 177.660 -0.122 18518 5612 1 9 . 1 1 42 42 LYS CA C 42 55.840 55.840 57.383 -1.543 18518 5613 1 9 . 1 1 42 42 LYS CB C 42 34.979 34.979 33.793 1.186 18518 5614 1 9 . 1 1 42 42 LYS H H 42 9.034 9.034 8.778 0.256 18518 5615 1 9 . 1 1 43 43 GLN N N 43 119.259 119.259 119.667 -0.408 18518 5616 1 9 . 1 1 43 43 GLN HA H 43 4.542 4.542 4.243 0.299 18518 5617 1 9 . 1 1 43 43 GLN C C 43 177.336 177.336 175.972 1.364 18518 5618 1 9 . 1 1 43 43 GLN CA C 43 57.673 57.673 57.485 0.188 18518 5619 1 9 . 1 1 43 43 GLN CB C 43 30.782 30.782 28.991 1.791 18518 5620 1 9 . 1 1 43 43 GLN H H 43 8.435 8.435 8.487 -0.052 18518 5621 1 9 . 1 1 44 44 LEU N N 44 120.760 120.760 122.903 -2.143 18518 5622 1 9 . 1 1 44 44 LEU HA H 44 4.695 4.695 4.686 0.009 18518 5623 1 9 . 1 1 44 44 LEU CA C 44 53.245 53.245 52.552 0.693 18518 5624 1 9 . 1 1 44 44 LEU CB C 44 43.596 43.596 41.699 1.897 18518 5625 1 9 . 1 1 44 44 LEU H H 44 9.126 9.126 7.661 1.465 18518 5626 1 9 . 1 1 45 45 PRO HA H 45 4.717 4.717 4.592 0.125 18518 5627 1 9 . 1 1 45 45 PRO C C 45 175.797 175.797 176.230 -0.433 18518 5628 1 9 . 1 1 45 45 PRO CA C 45 62.111 62.111 61.993 0.118 18518 5629 1 9 . 1 1 45 45 PRO CB C 45 32.592 32.592 32.387 0.205 18518 5630 1 9 . 1 1 46 46 VAL N N 46 119.052 119.052 120.790 -1.738 18518 5631 1 9 . 1 1 46 46 VAL HA H 46 3.867 3.867 4.403 -0.536 18518 5632 1 9 . 1 1 46 46 VAL C C 46 175.640 175.640 177.119 -1.479 18518 5633 1 9 . 1 1 46 46 VAL CA C 46 62.944 62.944 62.088 0.856 18518 5634 1 9 . 1 1 46 46 VAL CB C 46 32.799 32.799 32.282 0.517 18518 5635 1 9 . 1 1 46 46 VAL H H 46 8.543 8.543 8.363 0.180 18518 5636 1 9 . 1 1 47 47 LEU N N 47 130.203 130.203 126.617 3.586 18518 5637 1 9 . 1 1 47 47 LEU HA H 47 4.309 4.309 4.339 -0.030 18518 5638 1 9 . 1 1 47 47 LEU C C 47 176.198 176.198 177.245 -1.047 18518 5639 1 9 . 1 1 47 47 LEU CA C 47 55.006 55.006 54.988 0.018 18518 5640 1 9 . 1 1 47 47 LEU CB C 47 43.832 43.832 42.647 1.185 18518 5641 1 9 . 1 1 47 47 LEU H H 47 7.799 7.799 8.348 -0.549 18518 5642 1 9 . 1 1 48 48 ASP N N 48 122.403 122.403 120.855 1.548 18518 5643 1 9 . 1 1 48 48 ASP HA H 48 4.263 4.263 4.576 -0.313 18518 5644 1 9 . 1 1 48 48 ASP C C 48 175.294 175.294 176.140 -0.846 18518 5645 1 9 . 1 1 48 48 ASP CA C 48 55.832 55.832 55.683 0.149 18518 5646 1 9 . 1 1 48 48 ASP CB C 48 40.184 40.184 41.248 -1.064 18518 5647 1 9 . 1 1 48 48 ASP H H 48 8.780 8.780 8.506 0.274 18518 5648 1 9 . 1 1 49 49 LYS N N 49 119.569 119.569 116.490 3.079 18518 5649 1 9 . 1 1 49 49 LYS HA H 49 4.585 4.585 4.545 0.040 18518 5650 1 9 . 1 1 49 49 LYS C C 49 174.678 174.678 174.891 -0.213 18518 5651 1 9 . 1 1 49 49 LYS CA C 49 53.652 53.652 55.656 -2.004 18518 5652 1 9 . 1 1 49 49 LYS CB C 49 35.945 35.945 34.087 1.858 18518 5653 1 9 . 1 1 49 49 LYS H H 49 7.280 7.280 7.519 -0.239 18518 5654 1 9 . 1 1 50 50 THR N N 50 110.862 110.862 112.668 -1.806 18518 5655 1 9 . 1 1 50 50 THR HA H 50 4.811 4.811 4.723 0.088 18518 5656 1 9 . 1 1 50 50 THR C C 50 172.425 172.425 173.968 -1.543 18518 5657 1 9 . 1 1 50 50 THR CA C 50 62.645 62.645 62.715 -0.070 18518 5658 1 9 . 1 1 50 50 THR CB C 50 71.648 71.648 70.381 1.267 18518 5659 1 9 . 1 1 50 50 THR H H 50 8.042 8.042 8.293 -0.251 18518 5660 1 9 . 1 1 51 51 LYS N N 51 120.008 120.008 122.959 -2.951 18518 5661 1 9 . 1 1 51 51 LYS HA H 51 4.625 4.625 4.690 -0.065 18518 5662 1 9 . 1 1 51 51 LYS C C 51 175.082 175.082 176.092 -1.010 18518 5663 1 9 . 1 1 51 51 LYS CA C 51 54.704 54.704 56.124 -1.420 18518 5664 1 9 . 1 1 51 51 LYS CB C 51 32.376 32.376 33.058 -0.682 18518 5665 1 9 . 1 1 51 51 LYS H H 51 7.119 7.119 7.620 -0.501 18518 5666 1 9 . 1 1 52 52 PHE N N 52 122.640 122.640 123.854 -1.214 18518 5667 1 9 . 1 1 52 52 PHE HA H 52 5.337 5.337 4.725 0.612 18518 5668 1 9 . 1 1 52 52 PHE C C 52 174.213 174.213 174.327 -0.114 18518 5669 1 9 . 1 1 52 52 PHE CA C 52 56.611 56.611 56.581 0.030 18518 5670 1 9 . 1 1 52 52 PHE CB C 52 43.140 43.140 43.289 -0.149 18518 5671 1 9 . 1 1 52 52 PHE H H 52 9.709 9.709 9.291 0.418 18518 5672 1 9 . 1 1 53 53 LEU N N 53 122.157 122.157 123.105 -0.948 18518 5673 1 9 . 1 1 53 53 LEU HA H 53 4.947 4.947 4.770 0.177 18518 5674 1 9 . 1 1 53 53 LEU C C 53 175.769 175.769 175.518 0.251 18518 5675 1 9 . 1 1 53 53 LEU CA C 53 52.957 52.957 53.793 -0.836 18518 5676 1 9 . 1 1 53 53 LEU CB C 53 44.415 44.415 43.610 0.805 18518 5677 1 9 . 1 1 53 53 LEU H H 53 8.959 8.959 8.396 0.563 18518 5678 1 9 . 1 1 54 54 VAL N N 54 124.919 124.919 121.711 3.208 18518 5679 1 9 . 1 1 54 54 VAL HA H 54 4.559 4.559 4.754 -0.195 18518 5680 1 9 . 1 1 54 54 VAL CA C 54 59.130 59.130 57.846 1.284 18518 5681 1 9 . 1 1 54 54 VAL CB C 54 34.968 34.968 33.824 1.144 18518 5682 1 9 . 1 1 54 54 VAL H H 54 8.922 8.922 8.514 0.408 18518 5683 1 9 . 1 1 55 55 PRO HA H 55 4.441 4.441 4.929 -0.488 18518 5684 1 9 . 1 1 55 55 PRO C C 55 176.594 176.594 178.281 -1.687 18518 5685 1 9 . 1 1 55 55 PRO CA C 55 64.315 64.315 62.117 2.198 18518 5686 1 9 . 1 1 55 55 PRO CB C 55 32.665 32.665 32.132 0.533 18518 5687 1 9 . 1 1 56 56 ASP N N 56 120.522 120.522 123.746 -3.224 18518 5688 1 9 . 1 1 56 56 ASP HA H 56 3.862 3.862 4.197 -0.335 18518 5689 1 9 . 1 1 56 56 ASP C C 56 175.809 175.809 176.678 -0.869 18518 5690 1 9 . 1 1 56 56 ASP CA C 56 56.749 56.749 57.401 -0.652 18518 5691 1 9 . 1 1 56 56 ASP CB C 56 40.510 40.510 40.648 -0.138 18518 5692 1 9 . 1 1 56 56 ASP H H 56 8.347 8.347 8.370 -0.023 18518 5693 1 9 . 1 1 57 57 HIS N N 57 113.482 113.482 114.892 -1.410 18518 5694 1 9 . 1 1 57 57 HIS HA H 57 4.720 4.720 4.723 -0.003 18518 5695 1 9 . 1 1 57 57 HIS C C 57 176.507 176.507 175.288 1.219 18518 5696 1 9 . 1 1 57 57 HIS CA C 57 55.589 55.589 55.910 -0.321 18518 5697 1 9 . 1 1 57 57 HIS CB C 57 30.643 30.643 29.687 0.956 18518 5698 1 9 . 1 1 57 57 HIS H H 57 7.557 7.557 8.052 -0.495 18518 5699 1 9 . 1 1 58 58 VAL N N 58 123.279 123.279 121.914 1.365 18518 5700 1 9 . 1 1 58 58 VAL HA H 58 3.836 3.836 4.123 -0.287 18518 5701 1 9 . 1 1 58 58 VAL C C 58 175.019 175.019 174.906 0.113 18518 5702 1 9 . 1 1 58 58 VAL CA C 58 62.823 62.823 61.578 1.245 18518 5703 1 9 . 1 1 58 58 VAL CB C 58 32.310 32.310 33.238 -0.928 18518 5704 1 9 . 1 1 58 58 VAL H H 58 7.345 7.345 7.379 -0.034 18518 5705 1 9 . 1 1 59 59 ASN N N 59 123.781 123.781 122.629 1.152 18518 5706 1 9 . 1 1 59 59 ASN HA H 59 5.126 5.126 5.058 0.068 18518 5707 1 9 . 1 1 59 59 ASN C C 59 176.558 176.558 176.482 0.076 18518 5708 1 9 . 1 1 59 59 ASN CA C 59 51.485 51.485 52.082 -0.597 18518 5709 1 9 . 1 1 59 59 ASN CB C 59 40.107 40.107 40.259 -0.152 18518 5710 1 9 . 1 1 59 59 ASN H H 59 8.735 8.735 8.365 0.370 18518 5711 1 9 . 1 1 60 60 MET N N 60 117.453 117.453 118.714 -1.261 18518 5712 1 9 . 1 1 60 60 MET HA H 60 4.395 4.395 4.152 0.243 18518 5713 1 9 . 1 1 60 60 MET C C 60 178.144 178.144 178.491 -0.347 18518 5714 1 9 . 1 1 60 60 MET CA C 60 57.097 57.097 57.730 -0.633 18518 5715 1 9 . 1 1 60 60 MET CB C 60 30.140 30.140 30.902 -0.762 18518 5716 1 9 . 1 1 60 60 MET H H 60 8.227 8.227 8.643 -0.416 18518 5717 1 9 . 1 1 61 61 SER N N 61 114.216 114.216 115.787 -1.571 18518 5718 1 9 . 1 1 61 61 SER HA H 61 4.111 4.111 4.065 0.046 18518 5719 1 9 . 1 1 61 61 SER C C 61 177.335 177.335 176.701 0.634 18518 5720 1 9 . 1 1 61 61 SER CA C 61 61.590 61.590 62.279 -0.689 18518 5721 1 9 . 1 1 61 61 SER CB C 61 62.402 62.402 62.851 -0.449 18518 5722 1 9 . 1 1 61 61 SER H H 61 8.464 8.464 8.273 0.191 18518 5723 1 9 . 1 1 62 62 GLU N N 62 123.004 123.004 121.114 1.890 18518 5724 1 9 . 1 1 62 62 GLU HA H 62 4.047 4.047 4.068 -0.021 18518 5725 1 9 . 1 1 62 62 GLU C C 62 178.686 178.686 178.883 -0.197 18518 5726 1 9 . 1 1 62 62 GLU CA C 62 58.625 58.625 59.032 -0.407 18518 5727 1 9 . 1 1 62 62 GLU CB C 62 29.654 29.654 29.491 0.163 18518 5728 1 9 . 1 1 62 62 GLU H H 62 7.994 7.994 7.665 0.329 18518 5729 1 9 . 1 1 63 63 LEU N N 63 120.818 120.818 121.793 -0.975 18518 5730 1 9 . 1 1 63 63 LEU HA H 63 3.965 3.965 3.988 -0.023 18518 5731 1 9 . 1 1 63 63 LEU C C 63 178.046 178.046 178.833 -0.787 18518 5732 1 9 . 1 1 63 63 LEU CA C 63 57.920 57.920 57.999 -0.079 18518 5733 1 9 . 1 1 63 63 LEU CB C 63 41.624 41.624 41.733 -0.109 18518 5734 1 9 . 1 1 63 63 LEU H H 63 8.130 8.130 7.853 0.277 18518 5735 1 9 . 1 1 64 64 ILE N N 64 118.528 118.528 118.818 -0.290 18518 5736 1 9 . 1 1 64 64 ILE HA H 64 3.369 3.369 3.550 -0.181 18518 5737 1 9 . 1 1 64 64 ILE C C 64 177.127 177.127 177.719 -0.592 18518 5738 1 9 . 1 1 64 64 ILE CA C 64 66.678 66.678 65.953 0.725 18518 5739 1 9 . 1 1 64 64 ILE CB C 64 38.444 38.444 37.573 0.871 18518 5740 1 9 . 1 1 64 64 ILE H H 64 8.488 8.488 8.525 -0.037 18518 5741 1 9 . 1 1 65 65 LYS N N 65 118.336 118.336 121.007 -2.671 18518 5742 1 9 . 1 1 65 65 LYS HA H 65 3.701 3.701 4.004 -0.303 18518 5743 1 9 . 1 1 65 65 LYS C C 65 179.291 179.291 179.028 0.263 18518 5744 1 9 . 1 1 65 65 LYS CA C 65 60.440 60.440 59.834 0.606 18518 5745 1 9 . 1 1 65 65 LYS CB C 65 32.371 32.371 32.208 0.163 18518 5746 1 9 . 1 1 65 65 LYS H H 65 7.347 7.347 7.614 -0.267 18518 5747 1 9 . 1 1 66 66 ILE N N 66 120.171 120.171 120.157 0.014 18518 5748 1 9 . 1 1 66 66 ILE HA H 66 3.578 3.578 3.665 -0.087 18518 5749 1 9 . 1 1 66 66 ILE C C 66 178.873 178.873 178.310 0.563 18518 5750 1 9 . 1 1 66 66 ILE CA C 66 65.160 65.160 65.114 0.046 18518 5751 1 9 . 1 1 66 66 ILE CB C 66 38.633 38.633 37.782 0.851 18518 5752 1 9 . 1 1 66 66 ILE H H 66 7.901 7.901 8.181 -0.280 18518 5753 1 9 . 1 1 67 67 ILE N N 67 121.185 121.185 120.705 0.480 18518 5754 1 9 . 1 1 67 67 ILE HA H 67 3.446 3.446 3.567 -0.121 18518 5755 1 9 . 1 1 67 67 ILE C C 67 177.150 177.150 177.649 -0.499 18518 5756 1 9 . 1 1 67 67 ILE CA C 67 62.806 62.806 64.939 -2.133 18518 5757 1 9 . 1 1 67 67 ILE CB C 67 34.995 34.995 37.450 -2.455 18518 5758 1 9 . 1 1 67 67 ILE H H 67 8.290 8.290 7.971 0.319 18518 5759 1 9 . 1 1 68 68 ARG N N 68 119.173 119.173 118.680 0.493 18518 5760 1 9 . 1 1 68 68 ARG HA H 68 2.931 2.931 3.765 -0.834 18518 5761 1 9 . 1 1 68 68 ARG C C 68 178.496 178.496 178.611 -0.115 18518 5762 1 9 . 1 1 68 68 ARG CA C 68 60.636 60.636 59.716 0.920 18518 5763 1 9 . 1 1 68 68 ARG CB C 68 30.440 30.440 29.779 0.661 18518 5764 1 9 . 1 1 68 68 ARG H H 68 8.438 8.438 8.302 0.136 18518 5765 1 9 . 1 1 69 69 ARG N N 69 116.511 116.511 120.218 -3.707 18518 5766 1 9 . 1 1 69 69 ARG HA H 69 4.134 4.134 3.975 0.159 18518 5767 1 9 . 1 1 69 69 ARG C C 69 180.262 180.262 179.008 1.254 18518 5768 1 9 . 1 1 69 69 ARG CA C 69 58.707 58.707 59.717 -1.010 18518 5769 1 9 . 1 1 69 69 ARG CB C 69 29.953 29.953 30.245 -0.292 18518 5770 1 9 . 1 1 69 69 ARG H H 69 7.497 7.497 8.380 -0.883 18518 5771 1 9 . 1 1 70 70 ARG N N 70 123.297 123.297 119.677 3.620 18518 5772 1 9 . 1 1 70 70 ARG HA H 70 4.016 4.016 4.100 -0.084 18518 5773 1 9 . 1 1 70 70 ARG C C 70 178.700 178.700 178.248 0.452 18518 5774 1 9 . 1 1 70 70 ARG CA C 70 59.460 59.460 58.709 0.751 18518 5775 1 9 . 1 1 70 70 ARG CB C 70 30.312 30.312 29.785 0.527 18518 5776 1 9 . 1 1 70 70 ARG H H 70 8.075 8.075 7.890 0.185 18518 5777 1 9 . 1 1 71 71 LEU N N 71 116.829 116.829 119.641 -2.812 18518 5778 1 9 . 1 1 71 71 LEU HA H 71 4.065 4.065 4.294 -0.229 18518 5779 1 9 . 1 1 71 71 LEU C C 71 174.956 174.956 175.651 -0.695 18518 5780 1 9 . 1 1 71 71 LEU CA C 71 55.126 55.126 54.450 0.676 18518 5781 1 9 . 1 1 71 71 LEU CB C 71 43.246 43.246 42.036 1.210 18518 5782 1 9 . 1 1 71 71 LEU H H 71 7.719 7.719 8.101 -0.382 18518 5783 1 9 . 1 1 72 72 GLN N N 72 114.991 114.991 114.792 0.199 18518 5784 1 9 . 1 1 72 72 GLN HA H 72 3.836 3.836 3.822 0.014 18518 5785 1 9 . 1 1 72 72 GLN C C 72 175.683 175.683 175.312 0.371 18518 5786 1 9 . 1 1 72 72 GLN CA C 72 56.325 56.325 56.481 -0.156 18518 5787 1 9 . 1 1 72 72 GLN CB C 72 26.004 26.004 25.631 0.373 18518 5788 1 9 . 1 1 72 72 GLN H H 72 7.744 7.744 7.409 0.335 18518 5789 1 9 . 1 1 73 73 LEU N N 73 115.045 115.045 119.847 -4.802 18518 5790 1 9 . 1 1 73 73 LEU HA H 73 4.236 4.236 4.140 0.096 18518 5791 1 9 . 1 1 73 73 LEU C C 73 178.762 178.762 177.076 1.686 18518 5792 1 9 . 1 1 73 73 LEU CA C 73 54.386 54.386 55.325 -0.939 18518 5793 1 9 . 1 1 73 73 LEU CB C 73 42.091 42.091 41.861 0.230 18518 5794 1 9 . 1 1 73 73 LEU H H 73 7.500 7.500 7.774 -0.274 18518 5795 1 9 . 1 1 74 74 ASN N N 74 121.700 121.700 121.959 -0.259 18518 5796 1 9 . 1 1 74 74 ASN HA H 74 4.690 4.690 4.592 0.098 18518 5797 1 9 . 1 1 74 74 ASN C C 74 176.617 176.617 175.683 0.934 18518 5798 1 9 . 1 1 74 74 ASN CA C 74 52.685 52.685 53.675 -0.990 18518 5799 1 9 . 1 1 74 74 ASN CB C 74 39.598 39.598 39.400 0.198 18518 5800 1 9 . 1 1 74 74 ASN H H 74 9.045 9.045 8.413 0.632 18518 5801 1 9 . 1 1 75 75 ALA N N 75 123.952 123.952 122.003 1.949 18518 5802 1 9 . 1 1 75 75 ALA HA H 75 3.964 3.964 4.356 -0.393 18518 5803 1 9 . 1 1 75 75 ALA C C 75 178.131 178.131 177.335 0.796 18518 5804 1 9 . 1 1 75 75 ALA CA C 75 54.868 54.868 53.224 1.644 18518 5805 1 9 . 1 1 75 75 ALA CB C 75 18.718 18.718 19.285 -0.567 18518 5806 1 9 . 1 1 75 75 ALA H H 75 8.784 8.784 8.443 0.341 18518 5807 1 9 . 1 1 76 76 ASN N N 76 112.295 112.295 115.809 -3.514 18518 5808 1 9 . 1 1 76 76 ASN HA H 76 4.580 4.580 4.635 -0.055 18518 5809 1 9 . 1 1 76 76 ASN C C 76 175.448 175.448 175.173 0.275 18518 5810 1 9 . 1 1 76 76 ASN CA C 76 53.214 53.214 53.597 -0.383 18518 5811 1 9 . 1 1 76 76 ASN CB C 76 38.320 38.320 38.603 -0.283 18518 5812 1 9 . 1 1 76 76 ASN H H 76 8.391 8.391 8.317 0.074 18518 5813 1 9 . 1 1 77 77 GLN N N 77 120.577 120.577 117.071 3.506 18518 5814 1 9 . 1 1 77 77 GLN HA H 77 4.273 4.273 4.591 -0.318 18518 5815 1 9 . 1 1 77 77 GLN C C 77 175.045 175.045 173.745 1.300 18518 5816 1 9 . 1 1 77 77 GLN CA C 77 55.805 55.805 54.617 1.188 18518 5817 1 9 . 1 1 77 77 GLN CB C 77 30.157 30.157 31.252 -1.095 18518 5818 1 9 . 1 1 77 77 GLN H H 77 7.552 7.552 7.475 0.077 18518 5819 1 9 . 1 1 78 78 ALA N N 78 130.670 130.670 122.834 7.836 18518 5820 1 9 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.687 -0.516 18518 5821 1 9 . 1 1 78 78 ALA C C 78 176.512 176.512 175.378 1.134 18518 5822 1 9 . 1 1 78 78 ALA CA C 78 52.842 52.842 51.254 1.588 18518 5823 1 9 . 1 1 78 78 ALA CB C 78 20.060 20.060 21.492 -1.432 18518 5824 1 9 . 1 1 78 78 ALA H H 78 8.799 8.799 8.795 0.004 18518 5825 1 9 . 1 1 79 79 PHE N N 79 119.325 119.325 116.778 2.547 18518 5826 1 9 . 1 1 79 79 PHE HA H 79 4.434 4.434 5.204 -0.769 18518 5827 1 9 . 1 1 79 79 PHE C C 79 171.726 171.726 172.922 -1.196 18518 5828 1 9 . 1 1 79 79 PHE CA C 79 59.145 59.145 55.330 3.815 18518 5829 1 9 . 1 1 79 79 PHE CB C 79 42.171 42.171 41.989 0.182 18518 5830 1 9 . 1 1 79 79 PHE H H 79 7.664 7.664 8.204 -0.540 18518 5831 1 9 . 1 1 80 80 PHE N N 80 126.314 126.314 118.098 8.216 18518 5832 1 9 . 1 1 80 80 PHE HA H 80 4.392 4.392 4.304 0.088 18518 5833 1 9 . 1 1 80 80 PHE C C 80 177.169 177.169 173.384 3.785 18518 5834 1 9 . 1 1 80 80 PHE CA C 80 56.653 56.653 56.251 0.402 18518 5835 1 9 . 1 1 80 80 PHE CB C 80 41.933 41.933 42.777 -0.844 18518 5836 1 9 . 1 1 80 80 PHE H H 80 8.508 8.508 9.087 -0.579 18518 5837 1 9 . 1 1 81 81 LEU N N 81 121.426 121.426 123.680 -2.254 18518 5838 1 9 . 1 1 81 81 LEU HA H 81 4.851 4.851 5.021 -0.170 18518 5839 1 9 . 1 1 81 81 LEU C C 81 174.488 174.488 175.299 -0.811 18518 5840 1 9 . 1 1 81 81 LEU CA C 81 53.197 53.197 54.339 -1.142 18518 5841 1 9 . 1 1 81 81 LEU CB C 81 45.100 45.100 43.153 1.947 18518 5842 1 9 . 1 1 81 81 LEU H H 81 8.229 8.229 8.378 -0.149 18518 5843 1 9 . 1 1 82 82 LEU N N 82 125.155 125.155 128.641 -3.486 18518 5844 1 9 . 1 1 82 82 LEU HA H 82 4.833 4.833 4.508 0.325 18518 5845 1 9 . 1 1 82 82 LEU C C 82 177.166 177.166 175.599 1.567 18518 5846 1 9 . 1 1 82 82 LEU CA C 82 54.197 54.197 54.373 -0.176 18518 5847 1 9 . 1 1 82 82 LEU CB C 82 43.442 43.442 43.366 0.076 18518 5848 1 9 . 1 1 82 82 LEU H H 82 9.400 9.400 9.113 0.287 18518 5849 1 9 . 1 1 83 83 VAL N N 83 123.886 123.886 123.156 0.730 18518 5850 1 9 . 1 1 83 83 VAL HA H 83 4.379 4.379 4.413 -0.034 18518 5851 1 9 . 1 1 83 83 VAL C C 83 175.810 175.810 176.849 -1.039 18518 5852 1 9 . 1 1 83 83 VAL CA C 83 61.677 61.677 62.077 -0.400 18518 5853 1 9 . 1 1 83 83 VAL CB C 83 33.758 33.758 31.705 2.053 18518 5854 1 9 . 1 1 83 83 VAL H H 83 8.721 8.721 8.705 0.016 18518 5855 1 9 . 1 1 84 84 ASN N N 84 126.474 126.474 126.151 0.323 18518 5856 1 9 . 1 1 84 84 ASN HA H 84 4.396 4.396 4.406 -0.010 18518 5857 1 9 . 1 1 84 84 ASN C C 84 175.164 175.164 175.089 0.075 18518 5858 1 9 . 1 1 84 84 ASN CA C 84 54.738 54.738 54.962 -0.224 18518 5859 1 9 . 1 1 84 84 ASN CB C 84 37.950 37.950 38.196 -0.246 18518 5860 1 9 . 1 1 84 84 ASN H H 84 9.707 9.707 9.351 0.356 18518 5861 1 9 . 1 1 85 85 GLY N N 85 101.296 101.296 104.645 -3.349 18518 5862 1 9 . 1 1 85 85 GLY C C 85 173.680 173.680 173.268 0.412 18518 5863 1 9 . 1 1 85 85 GLY CA C 85 45.603 45.603 44.833 0.770 18518 5864 1 9 . 1 1 85 85 GLY H H 85 8.644 8.644 8.294 0.350 18518 5865 1 9 . 1 1 86 86 HIS N N 86 117.238 117.238 119.102 -1.864 18518 5866 1 9 . 1 1 86 86 HIS HA H 86 5.017 5.017 4.758 0.259 18518 5867 1 9 . 1 1 86 86 HIS C C 86 173.841 173.841 173.902 -0.061 18518 5868 1 9 . 1 1 86 86 HIS CA C 86 53.796 53.796 53.505 0.291 18518 5869 1 9 . 1 1 86 86 HIS CB C 86 31.280 31.280 31.356 -0.076 18518 5870 1 9 . 1 1 86 86 HIS H H 86 7.918 7.918 8.106 -0.188 18518 5871 1 9 . 1 1 87 87 SER N N 87 118.179 118.179 121.319 -3.140 18518 5872 1 9 . 1 1 87 87 SER HA H 87 4.699 4.699 4.379 0.320 18518 5873 1 9 . 1 1 87 87 SER C C 87 175.904 175.904 174.718 1.186 18518 5874 1 9 . 1 1 87 87 SER CA C 87 58.271 58.271 58.393 -0.122 18518 5875 1 9 . 1 1 87 87 SER CB C 87 63.735 63.735 61.730 2.005 18518 5876 1 9 . 1 1 87 87 SER H H 87 8.977 8.977 8.803 0.174 18518 5877 1 9 . 1 1 88 88 MET N N 88 125.472 125.472 122.012 3.460 18518 5878 1 9 . 1 1 88 88 MET HA H 88 4.830 4.830 4.624 0.206 18518 5879 1 9 . 1 1 88 88 MET C C 88 176.419 176.419 175.152 1.267 18518 5880 1 9 . 1 1 88 88 MET CA C 88 54.899 54.899 55.291 -0.392 18518 5881 1 9 . 1 1 88 88 MET CB C 88 33.336 33.336 33.573 -0.237 18518 5882 1 9 . 1 1 88 88 MET H H 88 9.184 9.184 8.003 1.181 18518 5883 1 9 . 1 1 89 89 VAL N N 89 120.747 120.747 121.966 -1.219 18518 5884 1 9 . 1 1 89 89 VAL HA H 89 4.232 4.232 4.295 -0.063 18518 5885 1 9 . 1 1 89 89 VAL C C 89 175.958 175.958 175.175 0.783 18518 5886 1 9 . 1 1 89 89 VAL CA C 89 63.154 63.154 61.655 1.499 18518 5887 1 9 . 1 1 89 89 VAL CB C 89 31.878 31.878 33.059 -1.181 18518 5888 1 9 . 1 1 89 89 VAL H H 89 8.233 8.233 7.762 0.471 18518 5889 1 9 . 1 1 90 90 SER N N 90 117.362 117.362 122.559 -5.197 18518 5890 1 9 . 1 1 90 90 SER HA H 90 4.590 4.590 4.508 0.082 18518 5891 1 9 . 1 1 90 90 SER C C 90 175.741 175.741 174.707 1.034 18518 5892 1 9 . 1 1 90 90 SER CA C 90 57.717 57.717 58.385 -0.668 18518 5893 1 9 . 1 1 90 90 SER CB C 90 63.223 63.223 64.094 -0.870 18518 5894 1 9 . 1 1 90 90 SER H H 90 8.482 8.482 8.495 -0.013 18518 5895 1 9 . 1 1 91 91 VAL N N 91 120.466 120.466 122.879 -2.413 18518 5896 1 9 . 1 1 91 91 VAL HA H 91 4.047 4.047 3.827 0.220 18518 5897 1 9 . 1 1 91 91 VAL C C 91 176.329 176.329 177.460 -1.131 18518 5898 1 9 . 1 1 91 91 VAL CA C 91 63.492 63.492 65.185 -1.693 18518 5899 1 9 . 1 1 91 91 VAL CB C 91 32.568 32.568 32.076 0.492 18518 5900 1 9 . 1 1 91 91 VAL H H 91 8.188 8.188 8.420 -0.232 18518 5901 1 9 . 1 1 92 92 SER N N 92 116.398 116.398 112.731 3.667 18518 5902 1 9 . 1 1 92 92 SER HA H 92 4.636 4.636 4.395 0.241 18518 5903 1 9 . 1 1 92 92 SER C C 92 174.159 174.159 174.294 -0.135 18518 5904 1 9 . 1 1 92 92 SER CA C 92 57.805 57.805 59.739 -1.934 18518 5905 1 9 . 1 1 92 92 SER CB C 92 63.046 63.046 62.981 0.065 18518 5906 1 9 . 1 1 92 92 SER H H 92 8.370 8.370 8.183 0.187 18518 5907 1 9 . 1 1 93 93 THR N N 93 119.211 119.211 119.439 -0.228 18518 5908 1 9 . 1 1 93 93 THR HA H 93 4.484 4.484 4.463 0.021 18518 5909 1 9 . 1 1 93 93 THR CA C 93 60.884 60.884 61.387 -0.503 18518 5910 1 9 . 1 1 93 93 THR CB C 93 70.609 70.609 69.032 1.577 18518 5911 1 9 . 1 1 93 93 THR H H 93 7.416 7.416 7.564 -0.148 18518 5912 1 9 . 1 1 94 94 PRO HA H 94 4.440 4.440 4.706 -0.266 18518 5913 1 9 . 1 1 94 94 PRO C C 94 178.775 178.775 177.573 1.202 18518 5914 1 9 . 1 1 94 94 PRO CA C 94 62.943 62.943 62.437 0.506 18518 5915 1 9 . 1 1 94 94 PRO CB C 94 32.649 32.649 32.546 0.103 18518 5916 1 9 . 1 1 95 95 ILE N N 95 124.174 124.174 124.122 0.052 18518 5917 1 9 . 1 1 95 95 ILE HA H 95 3.949 3.949 3.808 0.141 18518 5918 1 9 . 1 1 95 95 ILE C C 95 176.498 176.498 177.219 -0.721 18518 5919 1 9 . 1 1 95 95 ILE CA C 95 63.904 63.904 61.848 2.056 18518 5920 1 9 . 1 1 95 95 ILE CB C 95 38.182 38.182 37.766 0.416 18518 5921 1 9 . 1 1 95 95 ILE H H 95 9.305 9.305 8.353 0.952 18518 5922 1 9 . 1 1 96 96 SER N N 96 116.920 116.920 116.815 0.105 18518 5923 1 9 . 1 1 96 96 SER HA H 96 4.029 4.029 4.199 -0.170 18518 5924 1 9 . 1 1 96 96 SER C C 96 176.574 176.574 176.031 0.543 18518 5925 1 9 . 1 1 96 96 SER CA C 96 61.356 61.356 62.470 -1.114 18518 5926 1 9 . 1 1 96 96 SER CB C 96 61.723 61.723 62.905 -1.182 18518 5927 1 9 . 1 1 96 96 SER H H 96 8.335 8.335 8.026 0.309 18518 5928 1 9 . 1 1 97 97 GLU N N 97 123.255 123.255 121.162 2.093 18518 5929 1 9 . 1 1 97 97 GLU HA H 97 4.278 4.278 4.166 0.112 18518 5930 1 9 . 1 1 97 97 GLU C C 97 179.716 179.716 179.060 0.656 18518 5931 1 9 . 1 1 97 97 GLU CA C 97 58.792 58.792 58.955 -0.163 18518 5932 1 9 . 1 1 97 97 GLU CB C 97 29.562 29.562 29.147 0.415 18518 5933 1 9 . 1 1 97 97 GLU H H 97 7.376 7.376 7.848 -0.472 18518 5934 1 9 . 1 1 98 98 VAL N N 98 121.137 121.137 121.142 -0.005 18518 5935 1 9 . 1 1 98 98 VAL HA H 98 3.802 3.802 3.610 0.192 18518 5936 1 9 . 1 1 98 98 VAL C C 98 177.637 177.637 178.016 -0.379 18518 5937 1 9 . 1 1 98 98 VAL CA C 98 65.824 65.824 66.569 -0.744 18518 5938 1 9 . 1 1 98 98 VAL CB C 98 32.154 32.154 31.560 0.594 18518 5939 1 9 . 1 1 98 98 VAL H H 98 7.387 7.387 7.744 -0.357 18518 5940 1 9 . 1 1 99 99 TYR N N 99 118.927 118.927 121.052 -2.125 18518 5941 1 9 . 1 1 99 99 TYR HA H 99 3.990 3.990 4.032 -0.042 18518 5942 1 9 . 1 1 99 99 TYR C C 99 176.081 176.081 177.131 -1.050 18518 5943 1 9 . 1 1 99 99 TYR CA C 99 62.223 62.223 60.746 1.477 18518 5944 1 9 . 1 1 99 99 TYR CB C 99 38.982 38.982 38.405 0.577 18518 5945 1 9 . 1 1 99 99 TYR H H 99 9.048 9.048 8.443 0.605 18518 5946 1 9 . 1 1 100 100 GLU N N 100 113.894 113.894 116.427 -2.533 18518 5947 1 9 . 1 1 100 100 GLU HA H 100 3.846 3.846 3.678 0.168 18518 5948 1 9 . 1 1 100 100 GLU C C 100 177.989 177.989 179.050 -1.061 18518 5949 1 9 . 1 1 100 100 GLU CA C 100 59.087 59.087 58.626 0.461 18518 5950 1 9 . 1 1 100 100 GLU CB C 100 29.382 29.382 28.918 0.464 18518 5951 1 9 . 1 1 100 100 GLU H H 100 7.422 7.422 8.030 -0.608 18518 5952 1 9 . 1 1 101 101 SER N N 101 108.991 108.991 114.261 -5.270 18518 5953 1 9 . 1 1 101 101 SER HA H 101 4.524 4.524 4.427 0.097 18518 5954 1 9 . 1 1 101 101 SER C C 101 176.628 176.628 175.326 1.302 18518 5955 1 9 . 1 1 101 101 SER CA C 101 60.349 60.349 60.700 -0.351 18518 5956 1 9 . 1 1 101 101 SER CB C 101 64.741 64.741 63.787 0.954 18518 5957 1 9 . 1 1 101 101 SER H H 101 7.424 7.424 7.955 -0.531 18518 5958 1 9 . 1 1 102 102 GLU N N 102 116.533 116.533 119.716 -3.183 18518 5959 1 9 . 1 1 102 102 GLU HA H 102 4.744 4.744 4.544 0.200 18518 5960 1 9 . 1 1 102 102 GLU C C 102 176.774 176.774 176.160 0.614 18518 5961 1 9 . 1 1 102 102 GLU CA C 102 55.581 55.581 54.781 0.800 18518 5962 1 9 . 1 1 102 102 GLU CB C 102 30.697 30.697 30.633 0.064 18518 5963 1 9 . 1 1 102 102 GLU H H 102 8.487 8.487 7.891 0.596 18518 5964 1 9 . 1 1 103 103 LYS N N 103 118.370 118.370 120.395 -2.025 18518 5965 1 9 . 1 1 103 103 LYS HA H 103 4.178 4.178 4.054 0.124 18518 5966 1 9 . 1 1 103 103 LYS C C 103 175.018 175.018 176.660 -1.642 18518 5967 1 9 . 1 1 103 103 LYS CA C 103 57.329 57.329 57.908 -0.579 18518 5968 1 9 . 1 1 103 103 LYS CB C 103 32.186 32.186 32.291 -0.105 18518 5969 1 9 . 1 1 103 103 LYS H H 103 7.831 7.831 7.729 0.102 18518 5970 1 9 . 1 1 104 104 ASP N N 104 123.500 123.500 126.209 -2.709 18518 5971 1 9 . 1 1 104 104 ASP HA H 104 4.755 4.755 4.706 0.049 18518 5972 1 9 . 1 1 104 104 ASP C C 104 177.383 177.383 177.372 0.011 18518 5973 1 9 . 1 1 104 104 ASP CA C 104 53.846 53.846 54.475 -0.629 18518 5974 1 9 . 1 1 104 104 ASP CB C 104 43.411 43.411 43.341 0.070 18518 5975 1 9 . 1 1 104 104 ASP H H 104 9.041 9.041 8.184 0.857 18518 5976 1 9 . 1 1 105 105 GLU N N 105 125.448 125.448 120.888 4.560 18518 5977 1 9 . 1 1 105 105 GLU HA H 105 4.180 4.180 4.216 -0.036 18518 5978 1 9 . 1 1 105 105 GLU C C 105 177.519 177.519 177.149 0.370 18518 5979 1 9 . 1 1 105 105 GLU CA C 105 59.529 59.529 58.568 0.961 18518 5980 1 9 . 1 1 105 105 GLU CB C 105 30.044 30.044 29.692 0.352 18518 5981 1 9 . 1 1 105 105 GLU H H 105 8.906 8.906 8.810 0.096 18518 5982 1 9 . 1 1 106 106 ASP N N 106 118.824 118.824 119.077 -0.253 18518 5983 1 9 . 1 1 106 106 ASP HA H 106 4.179 4.179 4.343 -0.164 18518 5984 1 9 . 1 1 106 106 ASP C C 106 176.223 176.223 176.596 -0.373 18518 5985 1 9 . 1 1 106 106 ASP CA C 106 54.756 54.756 56.584 -1.828 18518 5986 1 9 . 1 1 106 106 ASP CB C 106 39.999 39.999 41.648 -1.649 18518 5987 1 9 . 1 1 106 106 ASP H H 106 10.036 10.036 8.728 1.308 18518 5988 1 9 . 1 1 107 107 GLY N N 107 105.866 105.866 104.602 1.264 18518 5989 1 9 . 1 1 107 107 GLY C C 107 175.136 175.136 174.069 1.067 18518 5990 1 9 . 1 1 107 107 GLY CA C 107 45.222 45.222 45.237 -0.015 18518 5991 1 9 . 1 1 107 107 GLY H H 107 8.001 8.001 7.869 0.132 18518 5992 1 9 . 1 1 108 108 PHE N N 108 123.820 123.820 121.917 1.903 18518 5993 1 9 . 1 1 108 108 PHE HA H 108 4.662 4.662 4.618 0.044 18518 5994 1 9 . 1 1 108 108 PHE C C 108 174.899 174.899 174.423 0.476 18518 5995 1 9 . 1 1 108 108 PHE CA C 108 60.238 60.238 57.664 2.574 18518 5996 1 9 . 1 1 108 108 PHE CB C 108 40.365 40.365 40.165 0.200 18518 5997 1 9 . 1 1 108 108 PHE H H 108 9.912 9.912 7.643 2.269 18518 5998 1 9 . 1 1 109 109 LEU N N 109 120.130 120.130 122.795 -2.665 18518 5999 1 9 . 1 1 109 109 LEU HA H 109 5.030 5.030 4.920 0.110 18518 6000 1 9 . 1 1 109 109 LEU C C 109 173.916 173.916 174.562 -0.646 18518 6001 1 9 . 1 1 109 109 LEU CA C 109 53.424 53.424 53.938 -0.513 18518 6002 1 9 . 1 1 109 109 LEU CB C 109 45.203 45.203 44.844 0.359 18518 6003 1 9 . 1 1 109 109 LEU H H 109 7.997 7.997 8.617 -0.620 18518 6004 1 9 . 1 1 110 110 TYR N N 110 126.579 126.579 124.286 2.293 18518 6005 1 9 . 1 1 110 110 TYR HA H 110 5.003 5.003 4.611 0.392 18518 6006 1 9 . 1 1 110 110 TYR C C 110 176.671 176.671 175.032 1.639 18518 6007 1 9 . 1 1 110 110 TYR CA C 110 59.058 59.058 57.946 1.112 18518 6008 1 9 . 1 1 110 110 TYR CB C 110 39.556 39.556 40.590 -1.034 18518 6009 1 9 . 1 1 110 110 TYR H H 110 9.377 9.377 8.939 0.438 18518 6010 1 9 . 1 1 111 111 MET N N 111 119.240 119.240 121.264 -2.024 18518 6011 1 9 . 1 1 111 111 MET HA H 111 5.486 5.486 5.349 0.137 18518 6012 1 9 . 1 1 111 111 MET C C 111 175.695 175.695 174.458 1.237 18518 6013 1 9 . 1 1 111 111 MET CA C 111 54.124 54.124 54.468 -0.344 18518 6014 1 9 . 1 1 111 111 MET CB C 111 36.960 36.960 37.658 -0.698 18518 6015 1 9 . 1 1 111 111 MET H H 111 9.658 9.658 8.750 0.908 18518 6016 1 9 . 1 1 112 112 VAL N N 112 119.865 119.865 116.714 3.151 18518 6017 1 9 . 1 1 112 112 VAL HA H 112 5.963 5.963 5.590 0.373 18518 6018 1 9 . 1 1 112 112 VAL C C 112 175.058 175.058 174.156 0.902 18518 6019 1 9 . 1 1 112 112 VAL CA C 112 58.911 58.911 59.895 -0.984 18518 6020 1 9 . 1 1 112 112 VAL CB C 112 36.051 36.051 34.978 1.073 18518 6021 1 9 . 1 1 112 112 VAL H H 112 8.794 8.794 9.140 -0.346 18518 6022 1 9 . 1 1 113 113 TYR N N 113 119.664 119.664 120.686 -1.022 18518 6023 1 9 . 1 1 113 113 TYR HA H 113 6.118 6.118 5.819 0.299 18518 6024 1 9 . 1 1 113 113 TYR C C 113 173.375 173.375 173.757 -0.382 18518 6025 1 9 . 1 1 113 113 TYR CA C 113 54.153 54.153 55.153 -1.000 18518 6026 1 9 . 1 1 113 113 TYR CB C 113 43.312 43.312 41.745 1.567 18518 6027 1 9 . 1 1 113 113 TYR H H 113 8.315 8.315 8.588 -0.273 18518 6028 1 9 . 1 1 114 114 ALA N N 114 119.763 119.763 125.292 -5.529 18518 6029 1 9 . 1 1 114 114 ALA HA H 114 4.800 4.800 4.801 -0.001 18518 6030 1 9 . 1 1 114 114 ALA C C 114 176.216 176.216 175.120 1.096 18518 6031 1 9 . 1 1 114 114 ALA CA C 114 51.132 51.132 51.723 -0.591 18518 6032 1 9 . 1 1 114 114 ALA CB C 114 24.596 24.596 22.524 2.072 18518 6033 1 9 . 1 1 114 114 ALA H H 114 8.465 8.465 8.703 -0.238 18518 6034 1 9 . 1 1 115 115 SER N N 115 114.763 114.763 115.405 -0.642 18518 6035 1 9 . 1 1 115 115 SER HA H 115 4.496 4.496 4.772 -0.276 18518 6036 1 9 . 1 1 115 115 SER C C 115 172.671 172.671 174.127 -1.456 18518 6037 1 9 . 1 1 115 115 SER CA C 115 58.651 58.651 58.240 0.410 18518 6038 1 9 . 1 1 115 115 SER CB C 115 63.526 63.526 61.721 1.805 18518 6039 1 9 . 1 1 115 115 SER H H 115 9.915 9.915 8.765 1.150 18518 6040 1 9 . 1 1 116 116 GLN N N 116 116.611 116.611 123.643 -7.032 18518 6041 1 9 . 1 1 116 116 GLN HA H 116 4.484 4.484 4.399 0.085 18518 6042 1 9 . 1 1 116 116 GLN C C 116 172.733 172.733 173.714 -0.981 18518 6043 1 9 . 1 1 116 116 GLN CA C 116 53.926 53.926 55.732 -1.806 18518 6044 1 9 . 1 1 116 116 GLN CB C 116 32.358 32.358 31.453 0.905 18518 6045 1 9 . 1 1 116 116 GLN H H 116 7.219 7.219 7.962 -0.743 18518 6046 1 9 . 1 1 117 117 GLU N N 117 117.623 117.623 121.301 -3.678 18518 6047 1 9 . 1 1 117 117 GLU HA H 117 3.287 3.287 2.406 0.881 18518 6048 1 9 . 1 1 117 117 GLU C C 117 175.168 175.168 175.586 -0.418 18518 6049 1 9 . 1 1 117 117 GLU CA C 117 56.882 56.882 57.683 -0.801 18518 6050 1 9 . 1 1 117 117 GLU CB C 117 30.522 30.522 29.769 0.753 18518 6051 1 9 . 1 1 117 117 GLU H H 117 7.882 7.882 8.341 -0.459 18518 6052 1 9 . 1 1 118 118 THR N N 118 109.820 109.820 109.301 0.519 18518 6053 1 9 . 1 1 118 118 THR HA H 118 4.066 4.066 4.148 -0.082 18518 6054 1 9 . 1 1 118 118 THR C C 118 172.355 172.355 173.243 -0.888 18518 6055 1 9 . 1 1 118 118 THR CA C 118 60.029 60.029 60.267 -0.238 18518 6056 1 9 . 1 1 118 118 THR CB C 118 70.480 70.480 69.626 0.854 18518 6057 1 9 . 1 1 118 118 THR H H 118 6.992 6.992 7.290 -0.298 18518 6058 1 10 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.634 -0.298 18518 6059 1 10 . 1 1 2 2 ALA C C 2 177.974 177.974 176.504 1.470 18518 6060 1 10 . 1 1 2 2 ALA CA C 2 52.785 52.785 52.006 0.779 18518 6061 1 10 . 1 1 2 2 ALA CB C 2 19.444 19.444 19.371 0.073 18518 6062 1 10 . 1 1 3 3 MET N N 3 119.311 119.311 121.900 -2.589 18518 6063 1 10 . 1 1 3 3 MET HA H 3 4.451 4.451 4.490 -0.039 18518 6064 1 10 . 1 1 3 3 MET C C 3 176.913 176.913 175.475 1.438 18518 6065 1 10 . 1 1 3 3 MET CA C 3 55.679 55.679 55.209 0.470 18518 6066 1 10 . 1 1 3 3 MET CB C 3 32.590 32.590 34.663 -2.072 18518 6067 1 10 . 1 1 3 3 MET H H 3 8.638 8.638 8.361 0.277 18518 6068 1 10 . 1 1 4 4 GLY N N 4 110.281 110.281 110.968 -0.687 18518 6069 1 10 . 1 1 4 4 GLY C C 4 174.180 174.180 174.055 0.125 18518 6070 1 10 . 1 1 4 4 GLY CA C 4 45.495 45.495 44.689 0.806 18518 6071 1 10 . 1 1 4 4 GLY H H 4 8.552 8.552 8.314 0.238 18518 6072 1 10 . 1 1 5 5 LYS N N 5 120.818 120.818 125.619 -4.801 18518 6073 1 10 . 1 1 5 5 LYS HA H 5 4.509 4.509 4.266 0.243 18518 6074 1 10 . 1 1 5 5 LYS C C 5 177.605 177.605 177.219 0.386 18518 6075 1 10 . 1 1 5 5 LYS CA C 5 56.134 56.134 55.831 0.303 18518 6076 1 10 . 1 1 5 5 LYS CB C 5 34.813 34.813 32.266 2.547 18518 6077 1 10 . 1 1 5 5 LYS H H 5 8.133 8.133 8.183 -0.050 18518 6078 1 10 . 1 1 6 6 THR N N 6 114.781 114.781 114.951 -0.170 18518 6079 1 10 . 1 1 6 6 THR HA H 6 4.421 4.421 4.307 0.114 18518 6080 1 10 . 1 1 6 6 THR C C 6 175.524 175.524 175.918 -0.394 18518 6081 1 10 . 1 1 6 6 THR CA C 6 61.127 61.127 61.753 -0.626 18518 6082 1 10 . 1 1 6 6 THR CB C 6 69.926 69.926 69.923 0.003 18518 6083 1 10 . 1 1 6 6 THR H H 6 8.483 8.483 8.189 0.294 18518 6084 1 10 . 1 1 7 7 PHE N N 7 125.552 125.552 120.071 5.481 18518 6085 1 10 . 1 1 7 7 PHE HA H 7 4.005 4.005 4.105 -0.100 18518 6086 1 10 . 1 1 7 7 PHE C C 7 177.397 177.397 176.930 0.467 18518 6087 1 10 . 1 1 7 7 PHE CA C 7 63.393 63.393 60.935 2.458 18518 6088 1 10 . 1 1 7 7 PHE CB C 7 39.567 39.567 37.880 1.687 18518 6089 1 10 . 1 1 7 7 PHE H H 7 10.245 10.245 8.954 1.291 18518 6090 1 10 . 1 1 8 8 LYS N N 8 114.053 114.053 116.632 -2.579 18518 6091 1 10 . 1 1 8 8 LYS HA H 8 3.835 3.835 4.065 -0.230 18518 6092 1 10 . 1 1 8 8 LYS C C 8 175.520 175.520 178.452 -2.932 18518 6093 1 10 . 1 1 8 8 LYS CA C 8 59.993 59.993 58.436 1.557 18518 6094 1 10 . 1 1 8 8 LYS CB C 8 33.689 33.689 31.089 2.600 18518 6095 1 10 . 1 1 8 8 LYS H H 8 8.775 8.775 7.640 1.135 18518 6096 1 10 . 1 1 9 9 GLN N N 9 113.516 113.516 119.633 -6.117 18518 6097 1 10 . 1 1 9 9 GLN HA H 9 4.149 4.149 4.215 -0.066 18518 6098 1 10 . 1 1 9 9 GLN C C 9 177.615 177.615 178.349 -0.734 18518 6099 1 10 . 1 1 9 9 GLN CA C 9 56.819 56.819 58.079 -1.260 18518 6100 1 10 . 1 1 9 9 GLN CB C 9 30.019 30.019 28.804 1.215 18518 6101 1 10 . 1 1 9 9 GLN H H 9 7.355 7.355 7.625 -0.270 18518 6102 1 10 . 1 1 10 10 ARG N N 10 118.294 118.294 117.761 0.533 18518 6103 1 10 . 1 1 10 10 ARG HA H 10 4.302 4.302 4.241 0.061 18518 6104 1 10 . 1 1 10 10 ARG C C 10 179.380 179.380 176.965 2.415 18518 6105 1 10 . 1 1 10 10 ARG CA C 10 57.268 57.268 57.269 -0.001 18518 6106 1 10 . 1 1 10 10 ARG CB C 10 31.642 31.642 30.828 0.814 18518 6107 1 10 . 1 1 10 10 ARG H H 10 7.936 7.936 7.976 -0.040 18518 6108 1 10 . 1 1 11 11 ARG N N 11 121.137 121.137 119.385 1.752 18518 6109 1 10 . 1 1 11 11 ARG HA H 11 4.680 4.680 4.628 0.052 18518 6110 1 10 . 1 1 11 11 ARG CA C 11 53.453 53.453 53.840 -0.388 18518 6111 1 10 . 1 1 11 11 ARG CB C 11 32.938 32.938 31.863 1.075 18518 6112 1 10 . 1 1 11 11 ARG H H 11 7.390 7.390 7.574 -0.184 18518 6113 1 10 . 1 1 12 12 THR N N 12 116.819 116.819 119.579 -2.760 18518 6114 1 10 . 1 1 12 12 THR HA H 12 4.359 4.359 4.291 0.068 18518 6115 1 10 . 1 1 12 12 THR C C 12 174.989 174.989 176.044 -1.055 18518 6116 1 10 . 1 1 12 12 THR CA C 12 61.748 61.748 63.018 -1.270 18518 6117 1 10 . 1 1 12 12 THR CB C 12 71.068 71.068 70.016 1.052 18518 6118 1 10 . 1 1 12 12 THR H H 12 8.953 8.953 8.691 0.262 18518 6119 1 10 . 1 1 13 13 PHE N N 13 123.200 123.200 123.232 -0.032 18518 6120 1 10 . 1 1 13 13 PHE HA H 13 4.028 4.028 4.236 -0.208 18518 6121 1 10 . 1 1 13 13 PHE C C 13 176.029 176.029 177.135 -1.106 18518 6122 1 10 . 1 1 13 13 PHE CA C 13 62.864 62.864 62.486 0.378 18518 6123 1 10 . 1 1 13 13 PHE CB C 13 39.560 39.560 39.481 0.079 18518 6124 1 10 . 1 1 13 13 PHE H H 13 9.284 9.284 8.966 0.318 18518 6125 1 10 . 1 1 14 14 GLU N N 14 115.414 115.414 118.380 -2.966 18518 6126 1 10 . 1 1 14 14 GLU HA H 14 3.794 3.794 3.950 -0.156 18518 6127 1 10 . 1 1 14 14 GLU C C 14 180.081 180.081 178.593 1.488 18518 6128 1 10 . 1 1 14 14 GLU CA C 14 60.619 60.619 59.613 1.006 18518 6129 1 10 . 1 1 14 14 GLU CB C 14 28.852 28.852 29.071 -0.219 18518 6130 1 10 . 1 1 14 14 GLU H H 14 8.973 8.973 8.687 0.286 18518 6131 1 10 . 1 1 15 15 GLN N N 15 119.276 119.276 118.753 0.523 18518 6132 1 10 . 1 1 15 15 GLN HA H 15 4.000 4.000 4.231 -0.231 18518 6133 1 10 . 1 1 15 15 GLN C C 15 177.978 177.978 178.571 -0.593 18518 6134 1 10 . 1 1 15 15 GLN CA C 15 58.835 58.835 58.636 0.198 18518 6135 1 10 . 1 1 15 15 GLN CB C 15 29.370 29.370 28.008 1.362 18518 6136 1 10 . 1 1 15 15 GLN H H 15 7.756 7.756 8.609 -0.853 18518 6137 1 10 . 1 1 16 16 ARG N N 16 121.336 121.336 119.940 1.396 18518 6138 1 10 . 1 1 16 16 ARG HA H 16 4.270 4.270 4.166 0.104 18518 6139 1 10 . 1 1 16 16 ARG C C 16 177.416 177.416 178.603 -1.187 18518 6140 1 10 . 1 1 16 16 ARG CA C 16 61.375 61.375 59.552 1.823 18518 6141 1 10 . 1 1 16 16 ARG CB C 16 30.605 30.605 30.277 0.328 18518 6142 1 10 . 1 1 16 16 ARG H H 16 8.645 8.645 7.750 0.895 18518 6143 1 10 . 1 1 17 17 VAL N N 17 117.630 117.630 121.510 -3.880 18518 6144 1 10 . 1 1 17 17 VAL HA H 17 3.857 3.857 3.670 0.187 18518 6145 1 10 . 1 1 17 17 VAL C C 17 179.748 179.748 177.171 2.577 18518 6146 1 10 . 1 1 17 17 VAL CA C 17 65.726 65.726 65.734 -0.008 18518 6147 1 10 . 1 1 17 17 VAL CB C 17 32.194 32.194 31.757 0.437 18518 6148 1 10 . 1 1 17 17 VAL H H 17 8.373 8.373 7.911 0.462 18518 6149 1 10 . 1 1 18 18 GLU N N 18 120.864 120.864 119.355 1.509 18518 6150 1 10 . 1 1 18 18 GLU HA H 18 4.302 4.302 3.940 0.362 18518 6151 1 10 . 1 1 18 18 GLU C C 18 177.728 177.728 178.719 -0.991 18518 6152 1 10 . 1 1 18 18 GLU CA C 18 58.486 58.486 59.835 -1.349 18518 6153 1 10 . 1 1 18 18 GLU CB C 18 29.382 29.382 29.219 0.163 18518 6154 1 10 . 1 1 18 18 GLU H H 18 7.368 7.368 8.531 -1.163 18518 6155 1 10 . 1 1 19 19 ASP N N 19 121.425 121.425 120.699 0.726 18518 6156 1 10 . 1 1 19 19 ASP HA H 19 4.434 4.434 4.503 -0.069 18518 6157 1 10 . 1 1 19 19 ASP C C 19 179.978 179.978 178.208 1.770 18518 6158 1 10 . 1 1 19 19 ASP CA C 19 57.422 57.422 56.905 0.517 18518 6159 1 10 . 1 1 19 19 ASP CB C 19 41.287 41.287 40.689 0.598 18518 6160 1 10 . 1 1 19 19 ASP H H 19 8.671 8.671 7.809 0.862 18518 6161 1 10 . 1 1 20 20 VAL N N 20 119.730 119.730 120.554 -0.824 18518 6162 1 10 . 1 1 20 20 VAL HA H 20 3.205 3.205 3.301 -0.096 18518 6163 1 10 . 1 1 20 20 VAL C C 20 176.284 176.284 177.937 -1.653 18518 6164 1 10 . 1 1 20 20 VAL CA C 20 66.315 66.315 66.955 -0.640 18518 6165 1 10 . 1 1 20 20 VAL CB C 20 31.107 31.107 31.605 -0.498 18518 6166 1 10 . 1 1 20 20 VAL H H 20 7.999 7.999 8.067 -0.068 18518 6167 1 10 . 1 1 21 21 ARG N N 21 121.455 121.455 119.643 1.812 18518 6168 1 10 . 1 1 21 21 ARG HA H 21 3.814 3.814 3.953 -0.139 18518 6169 1 10 . 1 1 21 21 ARG C C 21 180.120 180.120 178.431 1.689 18518 6170 1 10 . 1 1 21 21 ARG CA C 21 59.830 59.830 59.031 0.799 18518 6171 1 10 . 1 1 21 21 ARG CB C 21 29.946 29.946 29.291 0.654 18518 6172 1 10 . 1 1 21 21 ARG H H 21 8.098 8.098 8.379 -0.281 18518 6173 1 10 . 1 1 22 22 LEU N N 22 117.826 117.826 121.576 -3.750 18518 6174 1 10 . 1 1 22 22 LEU HA H 22 4.049 4.049 4.085 -0.036 18518 6175 1 10 . 1 1 22 22 LEU C C 22 180.115 180.115 178.240 1.875 18518 6176 1 10 . 1 1 22 22 LEU CA C 22 57.790 57.790 57.834 -0.044 18518 6177 1 10 . 1 1 22 22 LEU CB C 22 42.142 42.142 42.048 0.094 18518 6178 1 10 . 1 1 22 22 LEU H H 22 8.207 8.207 7.745 0.462 18518 6179 1 10 . 1 1 23 23 ILE N N 23 121.450 121.450 119.241 2.209 18518 6180 1 10 . 1 1 23 23 ILE HA H 23 4.013 4.013 3.655 0.358 18518 6181 1 10 . 1 1 23 23 ILE C C 23 178.149 178.149 178.286 -0.137 18518 6182 1 10 . 1 1 23 23 ILE CA C 23 62.171 62.171 63.877 -1.706 18518 6183 1 10 . 1 1 23 23 ILE CB C 23 38.106 38.106 36.435 1.671 18518 6184 1 10 . 1 1 23 23 ILE H H 23 8.105 8.105 8.215 -0.110 18518 6185 1 10 . 1 1 24 24 ARG N N 24 121.139 121.139 118.608 2.531 18518 6186 1 10 . 1 1 24 24 ARG HA H 24 3.987 3.987 4.020 -0.033 18518 6187 1 10 . 1 1 24 24 ARG C C 24 178.702 178.702 179.053 -0.351 18518 6188 1 10 . 1 1 24 24 ARG CA C 24 57.718 57.718 58.817 -1.099 18518 6189 1 10 . 1 1 24 24 ARG CB C 24 28.769 28.769 29.566 -0.797 18518 6190 1 10 . 1 1 24 24 ARG H H 24 8.601 8.601 8.480 0.121 18518 6191 1 10 . 1 1 25 25 GLU N N 25 118.054 118.054 119.128 -1.074 18518 6192 1 10 . 1 1 25 25 GLU HA H 25 4.026 4.026 4.101 -0.075 18518 6193 1 10 . 1 1 25 25 GLU C C 25 178.492 178.492 178.095 0.397 18518 6194 1 10 . 1 1 25 25 GLU CA C 25 58.780 58.780 58.383 0.397 18518 6195 1 10 . 1 1 25 25 GLU CB C 25 30.001 30.001 29.709 0.292 18518 6196 1 10 . 1 1 25 25 GLU H H 25 7.423 7.423 7.814 -0.391 18518 6197 1 10 . 1 1 26 26 GLN N N 26 116.350 116.350 116.886 -0.536 18518 6198 1 10 . 1 1 26 26 GLN HA H 26 3.936 3.936 4.070 -0.134 18518 6199 1 10 . 1 1 26 26 GLN C C 26 176.305 176.305 177.021 -0.716 18518 6200 1 10 . 1 1 26 26 GLN CA C 26 57.503 57.503 57.474 0.029 18518 6201 1 10 . 1 1 26 26 GLN CB C 26 30.207 30.207 29.442 0.765 18518 6202 1 10 . 1 1 26 26 GLN H H 26 7.524 7.524 7.933 -0.409 18518 6203 1 10 . 1 1 27 27 HIS N N 27 116.017 116.017 118.417 -2.400 18518 6204 1 10 . 1 1 27 27 HIS HA H 27 4.930 4.930 5.020 -0.090 18518 6205 1 10 . 1 1 27 27 HIS CA C 27 53.054 53.054 52.940 0.114 18518 6206 1 10 . 1 1 27 27 HIS CB C 27 30.747 30.747 29.963 0.784 18518 6207 1 10 . 1 1 27 27 HIS H H 27 8.284 8.284 8.235 0.049 18518 6208 1 10 . 1 1 28 28 PRO HA H 28 4.581 4.581 4.535 0.046 18518 6209 1 10 . 1 1 28 28 PRO CA C 28 64.919 64.919 64.612 0.306 18518 6210 1 10 . 1 1 28 28 PRO CB C 28 32.455 32.455 32.167 0.288 18518 6211 1 10 . 1 1 29 29 THR N N 29 107.011 107.011 107.356 -0.345 18518 6212 1 10 . 1 1 29 29 THR HA H 29 4.599 4.599 4.377 0.222 18518 6213 1 10 . 1 1 29 29 THR C C 29 172.884 172.884 173.731 -0.847 18518 6214 1 10 . 1 1 29 29 THR CA C 29 60.810 60.810 61.736 -0.926 18518 6215 1 10 . 1 1 29 29 THR CB C 29 68.531 68.531 68.288 0.243 18518 6216 1 10 . 1 1 29 29 THR H H 29 7.890 7.890 8.408 -0.518 18518 6217 1 10 . 1 1 30 30 LYS N N 30 117.679 117.679 121.234 -3.555 18518 6218 1 10 . 1 1 30 30 LYS HA H 30 4.858 4.858 4.890 -0.032 18518 6219 1 10 . 1 1 30 30 LYS C C 30 174.310 174.310 174.457 -0.147 18518 6220 1 10 . 1 1 30 30 LYS CA C 30 53.751 53.751 53.889 -0.138 18518 6221 1 10 . 1 1 30 30 LYS CB C 30 35.804 35.804 35.838 -0.034 18518 6222 1 10 . 1 1 30 30 LYS H H 30 7.441 7.441 7.607 -0.166 18518 6223 1 10 . 1 1 31 31 ILE N N 31 122.849 122.849 121.889 0.960 18518 6224 1 10 . 1 1 31 31 ILE HA H 31 4.105 4.105 4.302 -0.197 18518 6225 1 10 . 1 1 31 31 ILE CA C 31 54.801 54.801 55.792 -0.991 18518 6226 1 10 . 1 1 31 31 ILE CB C 31 38.265 38.265 38.731 -0.466 18518 6227 1 10 . 1 1 31 31 ILE H H 31 9.304 9.304 8.737 0.567 18518 6228 1 10 . 1 1 32 32 PRO HA H 32 5.159 5.159 4.761 0.398 18518 6229 1 10 . 1 1 32 32 PRO C C 32 174.164 174.164 175.553 -1.389 18518 6230 1 10 . 1 1 32 32 PRO CA C 32 61.503 61.503 61.913 -0.410 18518 6231 1 10 . 1 1 32 32 PRO CB C 32 31.145 31.145 30.453 0.692 18518 6232 1 10 . 1 1 33 33 VAL N N 33 125.606 125.606 126.050 -0.444 18518 6233 1 10 . 1 1 33 33 VAL HA H 33 5.213 5.213 5.173 0.040 18518 6234 1 10 . 1 1 33 33 VAL C C 33 173.654 173.654 174.024 -0.370 18518 6235 1 10 . 1 1 33 33 VAL CA C 33 60.044 60.044 59.248 0.796 18518 6236 1 10 . 1 1 33 33 VAL CB C 33 35.604 35.604 36.208 -0.604 18518 6237 1 10 . 1 1 33 33 VAL H H 33 9.424 9.424 8.820 0.604 18518 6238 1 10 . 1 1 34 34 ILE N N 34 128.241 128.241 127.376 0.865 18518 6239 1 10 . 1 1 34 34 ILE HA H 34 4.833 4.833 4.676 0.157 18518 6240 1 10 . 1 1 34 34 ILE C C 34 175.605 175.605 174.679 0.926 18518 6241 1 10 . 1 1 34 34 ILE CA C 34 56.765 56.765 58.641 -1.876 18518 6242 1 10 . 1 1 34 34 ILE CB C 34 36.799 36.799 38.752 -1.953 18518 6243 1 10 . 1 1 34 34 ILE H H 34 8.721 8.721 8.957 -0.236 18518 6244 1 10 . 1 1 35 35 ILE N N 35 125.650 125.650 128.467 -2.817 18518 6245 1 10 . 1 1 35 35 ILE HA H 35 4.836 4.836 4.719 0.117 18518 6246 1 10 . 1 1 35 35 ILE C C 35 174.887 174.887 174.442 0.445 18518 6247 1 10 . 1 1 35 35 ILE CA C 35 60.945 60.945 59.083 1.862 18518 6248 1 10 . 1 1 35 35 ILE CB C 35 39.210 39.210 37.835 1.375 18518 6249 1 10 . 1 1 35 35 ILE H H 35 9.034 9.034 9.253 -0.219 18518 6250 1 10 . 1 1 36 36 GLU N N 36 122.657 122.657 127.292 -4.635 18518 6251 1 10 . 1 1 36 36 GLU HA H 36 4.861 4.861 4.932 -0.071 18518 6252 1 10 . 1 1 36 36 GLU C C 36 173.848 173.848 174.789 -0.941 18518 6253 1 10 . 1 1 36 36 GLU CA C 36 53.932 53.932 54.370 -0.438 18518 6254 1 10 . 1 1 36 36 GLU CB C 36 35.282 35.282 34.441 0.841 18518 6255 1 10 . 1 1 36 36 GLU H H 36 8.303 8.303 8.633 -0.330 18518 6256 1 10 . 1 1 37 37 ARG N N 37 123.228 123.228 126.867 -3.639 18518 6257 1 10 . 1 1 37 37 ARG HA H 37 2.726 2.726 3.784 -1.058 18518 6258 1 10 . 1 1 37 37 ARG C C 37 176.359 176.359 175.813 0.546 18518 6259 1 10 . 1 1 37 37 ARG CA C 37 56.359 56.359 56.774 -0.415 18518 6260 1 10 . 1 1 37 37 ARG CB C 37 31.341 31.341 30.681 0.660 18518 6261 1 10 . 1 1 37 37 ARG H H 37 8.856 8.856 8.802 0.054 18518 6262 1 10 . 1 1 38 38 TYR N N 38 128.981 128.981 127.923 1.058 18518 6263 1 10 . 1 1 38 38 TYR HA H 38 4.352 4.352 4.331 0.021 18518 6264 1 10 . 1 1 38 38 TYR C C 38 177.316 177.316 176.519 0.797 18518 6265 1 10 . 1 1 38 38 TYR CA C 38 57.712 57.712 58.084 -0.371 18518 6266 1 10 . 1 1 38 38 TYR CB C 38 39.472 39.472 40.307 -0.835 18518 6267 1 10 . 1 1 38 38 TYR H H 38 8.628 8.628 8.320 0.308 18518 6268 1 10 . 1 1 39 39 LYS N N 39 130.635 130.635 123.935 6.700 18518 6269 1 10 . 1 1 39 39 LYS HA H 39 3.822 3.822 3.791 0.031 18518 6270 1 10 . 1 1 39 39 LYS CA C 39 58.887 58.887 58.491 0.396 18518 6271 1 10 . 1 1 39 39 LYS CB C 39 31.771 31.771 31.924 -0.153 18518 6272 1 10 . 1 1 39 39 LYS H H 39 8.594 8.594 7.698 0.896 18518 6273 1 10 . 1 1 40 40 GLY C C 40 173.447 173.447 173.534 -0.087 18518 6274 1 10 . 1 1 40 40 GLY CA C 40 44.663 44.663 44.035 0.628 18518 6275 1 10 . 1 1 40 40 GLY H H 40 5.188 5.188 6.807 -1.619 18518 6276 1 10 . 1 1 41 41 GLU N N 41 122.836 122.836 121.136 1.700 18518 6277 1 10 . 1 1 41 41 GLU HA H 41 4.257 4.257 4.339 -0.082 18518 6278 1 10 . 1 1 41 41 GLU C C 41 176.524 176.524 175.816 0.708 18518 6279 1 10 . 1 1 41 41 GLU CA C 41 56.525 56.525 56.985 -0.460 18518 6280 1 10 . 1 1 41 41 GLU CB C 41 30.985 30.985 28.790 2.195 18518 6281 1 10 . 1 1 41 41 GLU H H 41 7.380 7.380 7.286 0.094 18518 6282 1 10 . 1 1 42 42 LYS N N 42 124.040 124.040 124.684 -0.644 18518 6283 1 10 . 1 1 42 42 LYS HA H 42 4.675 4.675 4.432 0.243 18518 6284 1 10 . 1 1 42 42 LYS C C 42 177.538 177.538 177.030 0.508 18518 6285 1 10 . 1 1 42 42 LYS CA C 42 55.840 55.840 56.649 -0.809 18518 6286 1 10 . 1 1 42 42 LYS CB C 42 34.979 34.979 33.195 1.784 18518 6287 1 10 . 1 1 42 42 LYS H H 42 9.034 9.034 8.285 0.749 18518 6288 1 10 . 1 1 43 43 GLN N N 43 119.259 119.259 118.869 0.390 18518 6289 1 10 . 1 1 43 43 GLN HA H 43 4.542 4.542 4.408 0.134 18518 6290 1 10 . 1 1 43 43 GLN C C 43 177.336 177.336 176.043 1.293 18518 6291 1 10 . 1 1 43 43 GLN CA C 43 57.673 57.673 56.363 1.310 18518 6292 1 10 . 1 1 43 43 GLN CB C 43 30.782 30.782 28.811 1.971 18518 6293 1 10 . 1 1 43 43 GLN H H 43 8.435 8.435 8.416 0.019 18518 6294 1 10 . 1 1 44 44 LEU N N 44 120.760 120.760 123.068 -2.308 18518 6295 1 10 . 1 1 44 44 LEU HA H 44 4.695 4.695 4.777 -0.082 18518 6296 1 10 . 1 1 44 44 LEU CA C 44 53.245 53.245 51.951 1.294 18518 6297 1 10 . 1 1 44 44 LEU CB C 44 43.596 43.596 42.208 1.388 18518 6298 1 10 . 1 1 44 44 LEU H H 44 9.126 9.126 7.673 1.453 18518 6299 1 10 . 1 1 45 45 PRO HA H 45 4.717 4.717 4.580 0.137 18518 6300 1 10 . 1 1 45 45 PRO C C 45 175.797 175.797 176.182 -0.385 18518 6301 1 10 . 1 1 45 45 PRO CA C 45 62.111 62.111 62.264 -0.153 18518 6302 1 10 . 1 1 45 45 PRO CB C 45 32.592 32.592 32.344 0.248 18518 6303 1 10 . 1 1 46 46 VAL N N 46 119.052 119.052 120.123 -1.071 18518 6304 1 10 . 1 1 46 46 VAL HA H 46 3.867 3.867 4.516 -0.649 18518 6305 1 10 . 1 1 46 46 VAL C C 46 175.640 175.640 176.810 -1.170 18518 6306 1 10 . 1 1 46 46 VAL CA C 46 62.944 62.944 62.263 0.681 18518 6307 1 10 . 1 1 46 46 VAL CB C 46 32.799 32.799 32.599 0.200 18518 6308 1 10 . 1 1 46 46 VAL H H 46 8.543 8.543 8.260 0.283 18518 6309 1 10 . 1 1 47 47 LEU N N 47 130.203 130.203 125.309 4.894 18518 6310 1 10 . 1 1 47 47 LEU HA H 47 4.309 4.309 4.454 -0.145 18518 6311 1 10 . 1 1 47 47 LEU C C 47 176.198 176.198 177.142 -0.944 18518 6312 1 10 . 1 1 47 47 LEU CA C 47 55.006 55.006 54.818 0.188 18518 6313 1 10 . 1 1 47 47 LEU CB C 47 43.832 43.832 43.339 0.493 18518 6314 1 10 . 1 1 47 47 LEU H H 47 7.799 7.799 8.332 -0.533 18518 6315 1 10 . 1 1 48 48 ASP N N 48 122.403 122.403 122.629 -0.226 18518 6316 1 10 . 1 1 48 48 ASP HA H 48 4.263 4.263 4.564 -0.301 18518 6317 1 10 . 1 1 48 48 ASP C C 48 175.294 175.294 175.775 -0.481 18518 6318 1 10 . 1 1 48 48 ASP CA C 48 55.832 55.832 55.233 0.600 18518 6319 1 10 . 1 1 48 48 ASP CB C 48 40.184 40.184 41.292 -1.109 18518 6320 1 10 . 1 1 48 48 ASP H H 48 8.780 8.780 8.498 0.282 18518 6321 1 10 . 1 1 49 49 LYS N N 49 119.569 119.569 117.675 1.894 18518 6322 1 10 . 1 1 49 49 LYS HA H 49 4.585 4.585 4.522 0.063 18518 6323 1 10 . 1 1 49 49 LYS C C 49 174.678 174.678 175.946 -1.268 18518 6324 1 10 . 1 1 49 49 LYS CA C 49 53.652 53.652 55.012 -1.360 18518 6325 1 10 . 1 1 49 49 LYS CB C 49 35.945 35.945 34.797 1.148 18518 6326 1 10 . 1 1 49 49 LYS H H 49 7.280 7.280 7.557 -0.277 18518 6327 1 10 . 1 1 50 50 THR N N 50 110.862 110.862 114.807 -3.945 18518 6328 1 10 . 1 1 50 50 THR HA H 50 4.811 4.811 4.886 -0.075 18518 6329 1 10 . 1 1 50 50 THR C C 50 172.425 172.425 174.375 -1.950 18518 6330 1 10 . 1 1 50 50 THR CA C 50 62.645 62.645 63.168 -0.523 18518 6331 1 10 . 1 1 50 50 THR CB C 50 71.648 71.648 70.876 0.772 18518 6332 1 10 . 1 1 50 50 THR H H 50 8.042 8.042 8.240 -0.198 18518 6333 1 10 . 1 1 51 51 LYS N N 51 120.008 120.008 123.028 -3.020 18518 6334 1 10 . 1 1 51 51 LYS HA H 51 4.625 4.625 4.617 0.008 18518 6335 1 10 . 1 1 51 51 LYS C C 51 175.082 175.082 176.184 -1.102 18518 6336 1 10 . 1 1 51 51 LYS CA C 51 54.704 54.704 56.883 -2.179 18518 6337 1 10 . 1 1 51 51 LYS CB C 51 32.376 32.376 33.110 -0.734 18518 6338 1 10 . 1 1 51 51 LYS H H 51 7.119 7.119 7.769 -0.650 18518 6339 1 10 . 1 1 52 52 PHE N N 52 122.640 122.640 123.770 -1.130 18518 6340 1 10 . 1 1 52 52 PHE HA H 52 5.337 5.337 4.676 0.661 18518 6341 1 10 . 1 1 52 52 PHE C C 52 174.213 174.213 174.178 0.035 18518 6342 1 10 . 1 1 52 52 PHE CA C 52 56.611 56.611 56.981 -0.370 18518 6343 1 10 . 1 1 52 52 PHE CB C 52 43.140 43.140 43.393 -0.253 18518 6344 1 10 . 1 1 52 52 PHE H H 52 9.709 9.709 9.394 0.315 18518 6345 1 10 . 1 1 53 53 LEU N N 53 122.157 122.157 123.466 -1.309 18518 6346 1 10 . 1 1 53 53 LEU HA H 53 4.947 4.947 4.890 0.057 18518 6347 1 10 . 1 1 53 53 LEU C C 53 175.769 175.769 175.846 -0.077 18518 6348 1 10 . 1 1 53 53 LEU CA C 53 52.957 52.957 54.087 -1.130 18518 6349 1 10 . 1 1 53 53 LEU CB C 53 44.415 44.415 43.114 1.301 18518 6350 1 10 . 1 1 53 53 LEU H H 53 8.959 8.959 8.512 0.447 18518 6351 1 10 . 1 1 54 54 VAL N N 54 124.919 124.919 127.057 -2.138 18518 6352 1 10 . 1 1 54 54 VAL HA H 54 4.559 4.559 4.550 0.009 18518 6353 1 10 . 1 1 54 54 VAL CA C 54 59.130 59.130 58.642 0.488 18518 6354 1 10 . 1 1 54 54 VAL CB C 54 34.968 34.968 33.832 1.136 18518 6355 1 10 . 1 1 54 54 VAL H H 54 8.922 8.922 8.453 0.469 18518 6356 1 10 . 1 1 55 55 PRO HA H 55 4.441 4.441 4.776 -0.335 18518 6357 1 10 . 1 1 55 55 PRO C C 55 176.594 176.594 177.884 -1.290 18518 6358 1 10 . 1 1 55 55 PRO CA C 55 64.315 64.315 62.161 2.154 18518 6359 1 10 . 1 1 55 55 PRO CB C 55 32.665 32.665 31.771 0.894 18518 6360 1 10 . 1 1 56 56 ASP N N 56 120.522 120.522 123.350 -2.828 18518 6361 1 10 . 1 1 56 56 ASP HA H 56 3.862 3.862 4.198 -0.336 18518 6362 1 10 . 1 1 56 56 ASP C C 56 175.809 175.809 176.533 -0.724 18518 6363 1 10 . 1 1 56 56 ASP CA C 56 56.749 56.749 56.985 -0.236 18518 6364 1 10 . 1 1 56 56 ASP CB C 56 40.510 40.510 40.425 0.085 18518 6365 1 10 . 1 1 56 56 ASP H H 56 8.347 8.347 8.282 0.065 18518 6366 1 10 . 1 1 57 57 HIS N N 57 113.482 113.482 113.071 0.411 18518 6367 1 10 . 1 1 57 57 HIS HA H 57 4.720 4.720 4.662 0.058 18518 6368 1 10 . 1 1 57 57 HIS C C 57 176.507 176.507 175.501 1.006 18518 6369 1 10 . 1 1 57 57 HIS CA C 57 55.589 55.589 55.706 -0.117 18518 6370 1 10 . 1 1 57 57 HIS CB C 57 30.643 30.643 29.705 0.938 18518 6371 1 10 . 1 1 57 57 HIS H H 57 7.557 7.557 7.803 -0.246 18518 6372 1 10 . 1 1 58 58 VAL N N 58 123.279 123.279 121.066 2.213 18518 6373 1 10 . 1 1 58 58 VAL HA H 58 3.836 3.836 4.180 -0.344 18518 6374 1 10 . 1 1 58 58 VAL C C 58 175.019 175.019 174.981 0.038 18518 6375 1 10 . 1 1 58 58 VAL CA C 58 62.823 62.823 60.935 1.888 18518 6376 1 10 . 1 1 58 58 VAL CB C 58 32.310 32.310 33.861 -1.551 18518 6377 1 10 . 1 1 58 58 VAL H H 58 7.345 7.345 7.555 -0.210 18518 6378 1 10 . 1 1 59 59 ASN N N 59 123.781 123.781 118.525 5.256 18518 6379 1 10 . 1 1 59 59 ASN HA H 59 5.126 5.126 4.962 0.164 18518 6380 1 10 . 1 1 59 59 ASN C C 59 176.558 176.558 176.309 0.249 18518 6381 1 10 . 1 1 59 59 ASN CA C 59 51.485 51.485 51.701 -0.216 18518 6382 1 10 . 1 1 59 59 ASN CB C 59 40.107 40.107 40.943 -0.836 18518 6383 1 10 . 1 1 59 59 ASN H H 59 8.735 8.735 8.332 0.403 18518 6384 1 10 . 1 1 60 60 MET N N 60 117.453 117.453 118.069 -0.616 18518 6385 1 10 . 1 1 60 60 MET HA H 60 4.395 4.395 4.200 0.195 18518 6386 1 10 . 1 1 60 60 MET C C 60 178.144 178.144 178.068 0.076 18518 6387 1 10 . 1 1 60 60 MET CA C 60 57.097 57.097 57.235 -0.138 18518 6388 1 10 . 1 1 60 60 MET CB C 60 30.140 30.140 30.912 -0.772 18518 6389 1 10 . 1 1 60 60 MET H H 60 8.227 8.227 9.064 -0.837 18518 6390 1 10 . 1 1 61 61 SER N N 61 114.216 114.216 116.513 -2.297 18518 6391 1 10 . 1 1 61 61 SER HA H 61 4.111 4.111 4.101 0.010 18518 6392 1 10 . 1 1 61 61 SER C C 61 177.335 177.335 177.125 0.210 18518 6393 1 10 . 1 1 61 61 SER CA C 61 61.590 61.590 62.458 -0.868 18518 6394 1 10 . 1 1 61 61 SER CB C 61 62.402 62.402 62.547 -0.145 18518 6395 1 10 . 1 1 61 61 SER H H 61 8.464 8.464 8.084 0.380 18518 6396 1 10 . 1 1 62 62 GLU N N 62 123.004 123.004 120.515 2.489 18518 6397 1 10 . 1 1 62 62 GLU HA H 62 4.047 4.047 4.159 -0.112 18518 6398 1 10 . 1 1 62 62 GLU C C 62 178.686 178.686 178.817 -0.131 18518 6399 1 10 . 1 1 62 62 GLU CA C 62 58.625 58.625 58.490 0.135 18518 6400 1 10 . 1 1 62 62 GLU CB C 62 29.654 29.654 29.252 0.402 18518 6401 1 10 . 1 1 62 62 GLU H H 62 7.994 7.994 7.653 0.341 18518 6402 1 10 . 1 1 63 63 LEU N N 63 120.818 120.818 122.002 -1.184 18518 6403 1 10 . 1 1 63 63 LEU HA H 63 3.965 3.965 4.005 -0.040 18518 6404 1 10 . 1 1 63 63 LEU C C 63 178.046 178.046 178.814 -0.768 18518 6405 1 10 . 1 1 63 63 LEU CA C 63 57.920 57.920 58.049 -0.129 18518 6406 1 10 . 1 1 63 63 LEU CB C 63 41.624 41.624 41.317 0.307 18518 6407 1 10 . 1 1 63 63 LEU H H 63 8.130 8.130 7.802 0.328 18518 6408 1 10 . 1 1 64 64 ILE N N 64 118.528 118.528 119.688 -1.160 18518 6409 1 10 . 1 1 64 64 ILE HA H 64 3.369 3.369 3.626 -0.257 18518 6410 1 10 . 1 1 64 64 ILE C C 64 177.127 177.127 177.709 -0.582 18518 6411 1 10 . 1 1 64 64 ILE CA C 64 66.678 66.678 65.883 0.795 18518 6412 1 10 . 1 1 64 64 ILE CB C 64 38.444 38.444 37.713 0.731 18518 6413 1 10 . 1 1 64 64 ILE H H 64 8.488 8.488 8.705 -0.217 18518 6414 1 10 . 1 1 65 65 LYS N N 65 118.336 118.336 120.933 -2.597 18518 6415 1 10 . 1 1 65 65 LYS HA H 65 3.701 3.701 3.959 -0.258 18518 6416 1 10 . 1 1 65 65 LYS C C 65 179.291 179.291 179.189 0.102 18518 6417 1 10 . 1 1 65 65 LYS CA C 65 60.440 60.440 60.049 0.391 18518 6418 1 10 . 1 1 65 65 LYS CB C 65 32.371 32.371 32.382 -0.011 18518 6419 1 10 . 1 1 65 65 LYS H H 65 7.347 7.347 7.638 -0.291 18518 6420 1 10 . 1 1 66 66 ILE N N 66 120.171 120.171 120.086 0.085 18518 6421 1 10 . 1 1 66 66 ILE HA H 66 3.578 3.578 3.708 -0.130 18518 6422 1 10 . 1 1 66 66 ILE C C 66 178.873 178.873 178.141 0.732 18518 6423 1 10 . 1 1 66 66 ILE CA C 66 65.160 65.160 65.318 -0.158 18518 6424 1 10 . 1 1 66 66 ILE CB C 66 38.633 38.633 37.799 0.834 18518 6425 1 10 . 1 1 66 66 ILE H H 66 7.901 7.901 8.465 -0.564 18518 6426 1 10 . 1 1 67 67 ILE N N 67 121.185 121.185 120.656 0.529 18518 6427 1 10 . 1 1 67 67 ILE HA H 67 3.446 3.446 3.529 -0.083 18518 6428 1 10 . 1 1 67 67 ILE C C 67 177.150 177.150 177.828 -0.678 18518 6429 1 10 . 1 1 67 67 ILE CA C 67 62.806 62.806 64.763 -1.957 18518 6430 1 10 . 1 1 67 67 ILE CB C 67 34.995 34.995 37.337 -2.342 18518 6431 1 10 . 1 1 67 67 ILE H H 67 8.290 8.290 7.995 0.295 18518 6432 1 10 . 1 1 68 68 ARG N N 68 119.173 119.173 118.699 0.474 18518 6433 1 10 . 1 1 68 68 ARG HA H 68 2.931 2.931 3.784 -0.853 18518 6434 1 10 . 1 1 68 68 ARG C C 68 178.496 178.496 178.916 -0.420 18518 6435 1 10 . 1 1 68 68 ARG CA C 68 60.636 60.636 59.630 1.006 18518 6436 1 10 . 1 1 68 68 ARG CB C 68 30.440 30.440 29.845 0.596 18518 6437 1 10 . 1 1 68 68 ARG H H 68 8.438 8.438 8.423 0.015 18518 6438 1 10 . 1 1 69 69 ARG N N 69 116.511 116.511 120.036 -3.525 18518 6439 1 10 . 1 1 69 69 ARG HA H 69 4.134 4.134 4.024 0.110 18518 6440 1 10 . 1 1 69 69 ARG C C 69 180.262 180.262 178.544 1.718 18518 6441 1 10 . 1 1 69 69 ARG CA C 69 58.707 58.707 59.063 -0.356 18518 6442 1 10 . 1 1 69 69 ARG CB C 69 29.953 29.953 30.191 -0.238 18518 6443 1 10 . 1 1 69 69 ARG H H 69 7.497 7.497 8.258 -0.761 18518 6444 1 10 . 1 1 70 70 ARG N N 70 123.297 123.297 117.808 5.489 18518 6445 1 10 . 1 1 70 70 ARG HA H 70 4.016 4.016 4.134 -0.118 18518 6446 1 10 . 1 1 70 70 ARG C C 70 178.700 178.700 178.355 0.345 18518 6447 1 10 . 1 1 70 70 ARG CA C 70 59.460 59.460 58.461 0.999 18518 6448 1 10 . 1 1 70 70 ARG CB C 70 30.312 30.312 29.987 0.325 18518 6449 1 10 . 1 1 70 70 ARG H H 70 8.075 8.075 8.072 0.003 18518 6450 1 10 . 1 1 71 71 LEU N N 71 116.829 116.829 119.941 -3.112 18518 6451 1 10 . 1 1 71 71 LEU HA H 71 4.065 4.065 4.228 -0.163 18518 6452 1 10 . 1 1 71 71 LEU C C 71 174.956 174.956 175.960 -1.004 18518 6453 1 10 . 1 1 71 71 LEU CA C 71 55.126 55.126 55.523 -0.397 18518 6454 1 10 . 1 1 71 71 LEU CB C 71 43.246 43.246 42.845 0.401 18518 6455 1 10 . 1 1 71 71 LEU H H 71 7.719 7.719 8.157 -0.438 18518 6456 1 10 . 1 1 72 72 GLN N N 72 114.991 114.991 114.716 0.275 18518 6457 1 10 . 1 1 72 72 GLN HA H 72 3.836 3.836 3.884 -0.048 18518 6458 1 10 . 1 1 72 72 GLN C C 72 175.683 175.683 175.080 0.603 18518 6459 1 10 . 1 1 72 72 GLN CA C 72 56.325 56.325 56.061 0.264 18518 6460 1 10 . 1 1 72 72 GLN CB C 72 26.004 26.004 25.383 0.621 18518 6461 1 10 . 1 1 72 72 GLN H H 72 7.744 7.744 7.553 0.191 18518 6462 1 10 . 1 1 73 73 LEU N N 73 115.045 115.045 119.415 -4.370 18518 6463 1 10 . 1 1 73 73 LEU HA H 73 4.236 4.236 4.042 0.194 18518 6464 1 10 . 1 1 73 73 LEU C C 73 178.762 178.762 176.854 1.908 18518 6465 1 10 . 1 1 73 73 LEU CA C 73 54.386 54.386 55.520 -1.133 18518 6466 1 10 . 1 1 73 73 LEU CB C 73 42.091 42.091 42.334 -0.243 18518 6467 1 10 . 1 1 73 73 LEU H H 73 7.500 7.500 7.473 0.027 18518 6468 1 10 . 1 1 74 74 ASN N N 74 121.700 121.700 123.378 -1.678 18518 6469 1 10 . 1 1 74 74 ASN HA H 74 4.690 4.690 4.550 0.140 18518 6470 1 10 . 1 1 74 74 ASN C C 74 176.617 176.617 176.311 0.306 18518 6471 1 10 . 1 1 74 74 ASN CA C 74 52.685 52.685 53.900 -1.214 18518 6472 1 10 . 1 1 74 74 ASN CB C 74 39.598 39.598 39.599 -0.001 18518 6473 1 10 . 1 1 74 74 ASN H H 74 9.045 9.045 8.611 0.434 18518 6474 1 10 . 1 1 75 75 ALA N N 75 123.952 123.952 124.125 -0.173 18518 6475 1 10 . 1 1 75 75 ALA HA H 75 3.964 3.964 4.273 -0.309 18518 6476 1 10 . 1 1 75 75 ALA C C 75 178.131 178.131 177.644 0.487 18518 6477 1 10 . 1 1 75 75 ALA CA C 75 54.868 54.868 53.981 0.887 18518 6478 1 10 . 1 1 75 75 ALA CB C 75 18.718 18.718 19.146 -0.428 18518 6479 1 10 . 1 1 75 75 ALA H H 75 8.784 8.784 8.473 0.311 18518 6480 1 10 . 1 1 76 76 ASN N N 76 112.295 112.295 116.053 -3.758 18518 6481 1 10 . 1 1 76 76 ASN HA H 76 4.580 4.580 4.648 -0.068 18518 6482 1 10 . 1 1 76 76 ASN C C 76 175.448 175.448 175.270 0.178 18518 6483 1 10 . 1 1 76 76 ASN CA C 76 53.214 53.214 53.478 -0.264 18518 6484 1 10 . 1 1 76 76 ASN CB C 76 38.320 38.320 38.657 -0.337 18518 6485 1 10 . 1 1 76 76 ASN H H 76 8.391 8.391 8.453 -0.062 18518 6486 1 10 . 1 1 77 77 GLN N N 77 120.577 120.577 119.306 1.271 18518 6487 1 10 . 1 1 77 77 GLN HA H 77 4.273 4.273 4.562 -0.289 18518 6488 1 10 . 1 1 77 77 GLN C C 77 175.045 175.045 173.592 1.453 18518 6489 1 10 . 1 1 77 77 GLN CA C 77 55.805 55.805 54.806 0.999 18518 6490 1 10 . 1 1 77 77 GLN CB C 77 30.157 30.157 31.503 -1.346 18518 6491 1 10 . 1 1 77 77 GLN H H 77 7.552 7.552 7.442 0.110 18518 6492 1 10 . 1 1 78 78 ALA N N 78 130.670 130.670 123.718 6.952 18518 6493 1 10 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.547 -0.376 18518 6494 1 10 . 1 1 78 78 ALA C C 78 176.512 176.512 175.806 0.706 18518 6495 1 10 . 1 1 78 78 ALA CA C 78 52.842 52.842 51.528 1.314 18518 6496 1 10 . 1 1 78 78 ALA CB C 78 20.060 20.060 21.013 -0.953 18518 6497 1 10 . 1 1 78 78 ALA H H 78 8.799 8.799 8.495 0.304 18518 6498 1 10 . 1 1 79 79 PHE N N 79 119.325 119.325 116.024 3.301 18518 6499 1 10 . 1 1 79 79 PHE HA H 79 4.434 4.434 4.798 -0.364 18518 6500 1 10 . 1 1 79 79 PHE C C 79 171.726 171.726 172.886 -1.160 18518 6501 1 10 . 1 1 79 79 PHE CA C 79 59.145 59.145 55.810 3.335 18518 6502 1 10 . 1 1 79 79 PHE CB C 79 42.171 42.171 41.055 1.116 18518 6503 1 10 . 1 1 79 79 PHE H H 79 7.664 7.664 8.125 -0.461 18518 6504 1 10 . 1 1 80 80 PHE N N 80 126.314 126.314 118.272 8.042 18518 6505 1 10 . 1 1 80 80 PHE HA H 80 4.392 4.392 4.285 0.107 18518 6506 1 10 . 1 1 80 80 PHE C C 80 177.169 177.169 173.205 3.964 18518 6507 1 10 . 1 1 80 80 PHE CA C 80 56.653 56.653 56.427 0.226 18518 6508 1 10 . 1 1 80 80 PHE CB C 80 41.933 41.933 42.739 -0.806 18518 6509 1 10 . 1 1 80 80 PHE H H 80 8.508 8.508 8.538 -0.030 18518 6510 1 10 . 1 1 81 81 LEU N N 81 121.426 121.426 122.997 -1.571 18518 6511 1 10 . 1 1 81 81 LEU HA H 81 4.851 4.851 5.148 -0.297 18518 6512 1 10 . 1 1 81 81 LEU C C 81 174.488 174.488 175.243 -0.755 18518 6513 1 10 . 1 1 81 81 LEU CA C 81 53.197 53.197 53.457 -0.260 18518 6514 1 10 . 1 1 81 81 LEU CB C 81 45.100 45.100 43.823 1.277 18518 6515 1 10 . 1 1 81 81 LEU H H 81 8.229 8.229 8.538 -0.309 18518 6516 1 10 . 1 1 82 82 LEU N N 82 125.155 125.155 127.154 -1.999 18518 6517 1 10 . 1 1 82 82 LEU HA H 82 4.833 4.833 4.538 0.295 18518 6518 1 10 . 1 1 82 82 LEU C C 82 177.166 177.166 175.616 1.550 18518 6519 1 10 . 1 1 82 82 LEU CA C 82 54.197 54.197 54.031 0.166 18518 6520 1 10 . 1 1 82 82 LEU CB C 82 43.442 43.442 44.198 -0.756 18518 6521 1 10 . 1 1 82 82 LEU H H 82 9.400 9.400 9.353 0.047 18518 6522 1 10 . 1 1 83 83 VAL N N 83 123.886 123.886 121.154 2.732 18518 6523 1 10 . 1 1 83 83 VAL HA H 83 4.379 4.379 4.593 -0.214 18518 6524 1 10 . 1 1 83 83 VAL C C 83 175.810 175.810 176.350 -0.540 18518 6525 1 10 . 1 1 83 83 VAL CA C 83 61.677 61.677 61.719 -0.042 18518 6526 1 10 . 1 1 83 83 VAL CB C 83 33.758 33.758 32.999 0.758 18518 6527 1 10 . 1 1 83 83 VAL H H 83 8.721 8.721 8.447 0.274 18518 6528 1 10 . 1 1 84 84 ASN N N 84 126.474 126.474 127.872 -1.398 18518 6529 1 10 . 1 1 84 84 ASN HA H 84 4.396 4.396 4.535 -0.139 18518 6530 1 10 . 1 1 84 84 ASN C C 84 175.164 175.164 175.054 0.110 18518 6531 1 10 . 1 1 84 84 ASN CA C 84 54.738 54.738 54.734 0.004 18518 6532 1 10 . 1 1 84 84 ASN CB C 84 37.950 37.950 37.697 0.253 18518 6533 1 10 . 1 1 84 84 ASN H H 84 9.707 9.707 9.651 0.056 18518 6534 1 10 . 1 1 85 85 GLY N N 85 101.296 101.296 104.377 -3.081 18518 6535 1 10 . 1 1 85 85 GLY C C 85 173.680 173.680 173.404 0.276 18518 6536 1 10 . 1 1 85 85 GLY CA C 85 45.603 45.603 44.930 0.673 18518 6537 1 10 . 1 1 85 85 GLY H H 85 8.644 8.644 8.422 0.222 18518 6538 1 10 . 1 1 86 86 HIS N N 86 117.238 117.238 119.218 -1.980 18518 6539 1 10 . 1 1 86 86 HIS HA H 86 5.017 5.017 4.560 0.457 18518 6540 1 10 . 1 1 86 86 HIS C C 86 173.841 173.841 174.080 -0.239 18518 6541 1 10 . 1 1 86 86 HIS CA C 86 53.796 53.796 54.165 -0.369 18518 6542 1 10 . 1 1 86 86 HIS CB C 86 31.280 31.280 31.039 0.241 18518 6543 1 10 . 1 1 86 86 HIS H H 86 7.918 7.918 8.196 -0.278 18518 6544 1 10 . 1 1 87 87 SER N N 87 118.179 118.179 121.742 -3.563 18518 6545 1 10 . 1 1 87 87 SER HA H 87 4.699 4.699 4.452 0.247 18518 6546 1 10 . 1 1 87 87 SER C C 87 175.904 175.904 174.497 1.407 18518 6547 1 10 . 1 1 87 87 SER CA C 87 58.271 58.271 58.413 -0.143 18518 6548 1 10 . 1 1 87 87 SER CB C 87 63.735 63.735 61.685 2.050 18518 6549 1 10 . 1 1 87 87 SER H H 87 8.977 8.977 8.786 0.191 18518 6550 1 10 . 1 1 88 88 MET N N 88 125.472 125.472 122.526 2.946 18518 6551 1 10 . 1 1 88 88 MET HA H 88 4.830 4.830 4.666 0.164 18518 6552 1 10 . 1 1 88 88 MET C C 88 176.419 176.419 174.957 1.462 18518 6553 1 10 . 1 1 88 88 MET CA C 88 54.899 54.899 55.595 -0.696 18518 6554 1 10 . 1 1 88 88 MET CB C 88 33.336 33.336 33.401 -0.065 18518 6555 1 10 . 1 1 88 88 MET H H 88 9.184 9.184 7.994 1.190 18518 6556 1 10 . 1 1 89 89 VAL N N 89 120.747 120.747 115.476 5.271 18518 6557 1 10 . 1 1 89 89 VAL HA H 89 4.232 4.232 4.378 -0.146 18518 6558 1 10 . 1 1 89 89 VAL C C 89 175.958 175.958 175.085 0.873 18518 6559 1 10 . 1 1 89 89 VAL CA C 89 63.154 63.154 60.651 2.503 18518 6560 1 10 . 1 1 89 89 VAL CB C 89 31.878 31.878 33.733 -1.855 18518 6561 1 10 . 1 1 89 89 VAL H H 89 8.233 8.233 7.500 0.733 18518 6562 1 10 . 1 1 90 90 SER N N 90 117.362 117.362 115.900 1.462 18518 6563 1 10 . 1 1 90 90 SER HA H 90 4.590 4.590 4.846 -0.256 18518 6564 1 10 . 1 1 90 90 SER C C 90 175.741 175.741 175.847 -0.106 18518 6565 1 10 . 1 1 90 90 SER CA C 90 57.717 57.717 56.749 0.968 18518 6566 1 10 . 1 1 90 90 SER CB C 90 63.223 63.223 65.940 -2.717 18518 6567 1 10 . 1 1 90 90 SER H H 90 8.482 8.482 8.071 0.411 18518 6568 1 10 . 1 1 91 91 VAL N N 91 120.466 120.466 120.991 -0.525 18518 6569 1 10 . 1 1 91 91 VAL HA H 91 4.047 4.047 3.879 0.168 18518 6570 1 10 . 1 1 91 91 VAL C C 91 176.329 176.329 175.735 0.594 18518 6571 1 10 . 1 1 91 91 VAL CA C 91 63.492 63.492 63.992 -0.500 18518 6572 1 10 . 1 1 91 91 VAL CB C 91 32.568 32.568 31.926 0.642 18518 6573 1 10 . 1 1 91 91 VAL H H 91 8.188 8.188 8.668 -0.480 18518 6574 1 10 . 1 1 92 92 SER N N 92 116.398 116.398 112.804 3.594 18518 6575 1 10 . 1 1 92 92 SER HA H 92 4.636 4.636 4.713 -0.077 18518 6576 1 10 . 1 1 92 92 SER C C 92 174.159 174.159 174.159 0.000 18518 6577 1 10 . 1 1 92 92 SER CA C 92 57.805 57.805 57.774 0.031 18518 6578 1 10 . 1 1 92 92 SER CB C 92 63.046 63.046 63.863 -0.817 18518 6579 1 10 . 1 1 92 92 SER H H 92 8.370 8.370 8.077 0.293 18518 6580 1 10 . 1 1 93 93 THR N N 93 119.211 119.211 121.430 -2.219 18518 6581 1 10 . 1 1 93 93 THR HA H 93 4.484 4.484 4.680 -0.196 18518 6582 1 10 . 1 1 93 93 THR CA C 93 60.884 60.884 60.648 0.236 18518 6583 1 10 . 1 1 93 93 THR CB C 93 70.609 70.609 68.969 1.641 18518 6584 1 10 . 1 1 93 93 THR H H 93 7.416 7.416 7.512 -0.096 18518 6585 1 10 . 1 1 94 94 PRO HA H 94 4.440 4.440 4.414 0.026 18518 6586 1 10 . 1 1 94 94 PRO C C 94 178.775 178.775 177.026 1.749 18518 6587 1 10 . 1 1 94 94 PRO CA C 94 62.943 62.943 62.631 0.312 18518 6588 1 10 . 1 1 94 94 PRO CB C 94 32.649 32.649 32.507 0.142 18518 6589 1 10 . 1 1 95 95 ILE N N 95 124.174 124.174 122.944 1.230 18518 6590 1 10 . 1 1 95 95 ILE HA H 95 3.949 3.949 3.827 0.122 18518 6591 1 10 . 1 1 95 95 ILE C C 95 176.498 176.498 177.055 -0.557 18518 6592 1 10 . 1 1 95 95 ILE CA C 95 63.904 63.904 62.136 1.768 18518 6593 1 10 . 1 1 95 95 ILE CB C 95 38.182 38.182 38.217 -0.035 18518 6594 1 10 . 1 1 95 95 ILE H H 95 9.305 9.305 8.310 0.995 18518 6595 1 10 . 1 1 96 96 SER N N 96 116.920 116.920 116.409 0.511 18518 6596 1 10 . 1 1 96 96 SER HA H 96 4.029 4.029 4.061 -0.032 18518 6597 1 10 . 1 1 96 96 SER C C 96 176.574 176.574 176.478 0.096 18518 6598 1 10 . 1 1 96 96 SER CA C 96 61.356 61.356 62.090 -0.734 18518 6599 1 10 . 1 1 96 96 SER CB C 96 61.723 61.723 62.179 -0.456 18518 6600 1 10 . 1 1 96 96 SER H H 96 8.335 8.335 8.006 0.329 18518 6601 1 10 . 1 1 97 97 GLU N N 97 123.255 123.255 122.461 0.794 18518 6602 1 10 . 1 1 97 97 GLU HA H 97 4.278 4.278 4.175 0.103 18518 6603 1 10 . 1 1 97 97 GLU C C 97 179.716 179.716 179.004 0.712 18518 6604 1 10 . 1 1 97 97 GLU CA C 97 58.792 58.792 58.861 -0.069 18518 6605 1 10 . 1 1 97 97 GLU CB C 97 29.562 29.562 29.239 0.323 18518 6606 1 10 . 1 1 97 97 GLU H H 97 7.376 7.376 7.976 -0.600 18518 6607 1 10 . 1 1 98 98 VAL N N 98 121.137 121.137 120.340 0.797 18518 6608 1 10 . 1 1 98 98 VAL HA H 98 3.802 3.802 3.702 0.100 18518 6609 1 10 . 1 1 98 98 VAL C C 98 177.637 177.637 178.073 -0.436 18518 6610 1 10 . 1 1 98 98 VAL CA C 98 65.824 65.824 66.162 -0.338 18518 6611 1 10 . 1 1 98 98 VAL CB C 98 32.154 32.154 30.837 1.317 18518 6612 1 10 . 1 1 98 98 VAL H H 98 7.387 7.387 7.886 -0.499 18518 6613 1 10 . 1 1 99 99 TYR N N 99 118.927 118.927 122.175 -3.248 18518 6614 1 10 . 1 1 99 99 TYR HA H 99 3.990 3.990 4.015 -0.025 18518 6615 1 10 . 1 1 99 99 TYR C C 99 176.081 176.081 177.073 -0.992 18518 6616 1 10 . 1 1 99 99 TYR CA C 99 62.223 62.223 61.890 0.333 18518 6617 1 10 . 1 1 99 99 TYR CB C 99 38.982 38.982 38.416 0.566 18518 6618 1 10 . 1 1 99 99 TYR H H 99 9.048 9.048 8.517 0.531 18518 6619 1 10 . 1 1 100 100 GLU N N 100 113.894 113.894 116.079 -2.185 18518 6620 1 10 . 1 1 100 100 GLU HA H 100 3.846 3.846 3.527 0.319 18518 6621 1 10 . 1 1 100 100 GLU C C 100 177.989 177.989 178.625 -0.636 18518 6622 1 10 . 1 1 100 100 GLU CA C 100 59.087 59.087 58.855 0.232 18518 6623 1 10 . 1 1 100 100 GLU CB C 100 29.382 29.382 28.893 0.489 18518 6624 1 10 . 1 1 100 100 GLU H H 100 7.422 7.422 8.249 -0.827 18518 6625 1 10 . 1 1 101 101 SER N N 101 108.991 108.991 115.199 -6.208 18518 6626 1 10 . 1 1 101 101 SER HA H 101 4.524 4.524 4.306 0.218 18518 6627 1 10 . 1 1 101 101 SER C C 101 176.628 176.628 176.083 0.545 18518 6628 1 10 . 1 1 101 101 SER CA C 101 60.349 60.349 60.637 -0.288 18518 6629 1 10 . 1 1 101 101 SER CB C 101 64.741 64.741 63.405 1.336 18518 6630 1 10 . 1 1 101 101 SER H H 101 7.424 7.424 7.815 -0.391 18518 6631 1 10 . 1 1 102 102 GLU N N 102 116.533 116.533 118.792 -2.259 18518 6632 1 10 . 1 1 102 102 GLU HA H 102 4.744 4.744 4.541 0.203 18518 6633 1 10 . 1 1 102 102 GLU C C 102 176.774 176.774 176.092 0.682 18518 6634 1 10 . 1 1 102 102 GLU CA C 102 55.581 55.581 54.918 0.663 18518 6635 1 10 . 1 1 102 102 GLU CB C 102 30.697 30.697 30.348 0.349 18518 6636 1 10 . 1 1 102 102 GLU H H 102 8.487 8.487 8.094 0.393 18518 6637 1 10 . 1 1 103 103 LYS N N 103 118.370 118.370 118.821 -0.451 18518 6638 1 10 . 1 1 103 103 LYS HA H 103 4.178 4.178 4.008 0.170 18518 6639 1 10 . 1 1 103 103 LYS C C 103 175.018 175.018 176.520 -1.502 18518 6640 1 10 . 1 1 103 103 LYS CA C 103 57.329 57.329 56.397 0.932 18518 6641 1 10 . 1 1 103 103 LYS CB C 103 32.186 32.186 32.286 -0.100 18518 6642 1 10 . 1 1 103 103 LYS H H 103 7.831 7.831 7.511 0.320 18518 6643 1 10 . 1 1 104 104 ASP N N 104 123.500 123.500 122.623 0.877 18518 6644 1 10 . 1 1 104 104 ASP HA H 104 4.755 4.755 4.743 0.012 18518 6645 1 10 . 1 1 104 104 ASP C C 104 177.383 177.383 177.893 -0.510 18518 6646 1 10 . 1 1 104 104 ASP CA C 104 53.846 53.846 53.818 0.028 18518 6647 1 10 . 1 1 104 104 ASP CB C 104 43.411 43.411 43.026 0.384 18518 6648 1 10 . 1 1 104 104 ASP H H 104 9.041 9.041 8.326 0.715 18518 6649 1 10 . 1 1 105 105 GLU N N 105 125.448 125.448 121.892 3.556 18518 6650 1 10 . 1 1 105 105 GLU HA H 105 4.180 4.180 4.176 0.004 18518 6651 1 10 . 1 1 105 105 GLU C C 105 177.519 177.519 177.023 0.496 18518 6652 1 10 . 1 1 105 105 GLU CA C 105 59.529 59.529 58.852 0.676 18518 6653 1 10 . 1 1 105 105 GLU CB C 105 30.044 30.044 29.603 0.441 18518 6654 1 10 . 1 1 105 105 GLU H H 105 8.906 8.906 8.910 -0.004 18518 6655 1 10 . 1 1 106 106 ASP N N 106 118.824 118.824 116.639 2.185 18518 6656 1 10 . 1 1 106 106 ASP HA H 106 4.179 4.179 4.650 -0.471 18518 6657 1 10 . 1 1 106 106 ASP C C 106 176.223 176.223 177.067 -0.844 18518 6658 1 10 . 1 1 106 106 ASP CA C 106 54.756 54.756 54.702 0.054 18518 6659 1 10 . 1 1 106 106 ASP CB C 106 39.999 39.999 41.198 -1.199 18518 6660 1 10 . 1 1 106 106 ASP H H 106 10.036 10.036 8.177 1.859 18518 6661 1 10 . 1 1 107 107 GLY N N 107 105.866 105.866 105.936 -0.070 18518 6662 1 10 . 1 1 107 107 GLY C C 107 175.136 175.136 173.803 1.333 18518 6663 1 10 . 1 1 107 107 GLY CA C 107 45.222 45.222 45.330 -0.108 18518 6664 1 10 . 1 1 107 107 GLY H H 107 8.001 8.001 7.954 0.047 18518 6665 1 10 . 1 1 108 108 PHE N N 108 123.820 123.820 121.599 2.221 18518 6666 1 10 . 1 1 108 108 PHE HA H 108 4.662 4.662 4.770 -0.108 18518 6667 1 10 . 1 1 108 108 PHE C C 108 174.899 174.899 174.468 0.431 18518 6668 1 10 . 1 1 108 108 PHE CA C 108 60.238 60.238 58.163 2.075 18518 6669 1 10 . 1 1 108 108 PHE CB C 108 40.365 40.365 40.197 0.168 18518 6670 1 10 . 1 1 108 108 PHE H H 108 9.912 9.912 7.564 2.348 18518 6671 1 10 . 1 1 109 109 LEU N N 109 120.130 120.130 123.916 -3.786 18518 6672 1 10 . 1 1 109 109 LEU HA H 109 5.030 5.030 4.800 0.230 18518 6673 1 10 . 1 1 109 109 LEU C C 109 173.916 173.916 174.682 -0.766 18518 6674 1 10 . 1 1 109 109 LEU CA C 109 53.424 53.424 53.466 -0.042 18518 6675 1 10 . 1 1 109 109 LEU CB C 109 45.203 45.203 44.917 0.286 18518 6676 1 10 . 1 1 109 109 LEU H H 109 7.997 7.997 8.509 -0.512 18518 6677 1 10 . 1 1 110 110 TYR N N 110 126.579 126.579 124.374 2.205 18518 6678 1 10 . 1 1 110 110 TYR HA H 110 5.003 5.003 4.767 0.236 18518 6679 1 10 . 1 1 110 110 TYR C C 110 176.671 176.671 175.211 1.460 18518 6680 1 10 . 1 1 110 110 TYR CA C 110 59.058 59.058 57.831 1.227 18518 6681 1 10 . 1 1 110 110 TYR CB C 110 39.556 39.556 40.458 -0.902 18518 6682 1 10 . 1 1 110 110 TYR H H 110 9.377 9.377 8.889 0.488 18518 6683 1 10 . 1 1 111 111 MET N N 111 119.240 119.240 121.053 -1.813 18518 6684 1 10 . 1 1 111 111 MET HA H 111 5.486 5.486 5.410 0.075 18518 6685 1 10 . 1 1 111 111 MET C C 111 175.695 175.695 174.337 1.358 18518 6686 1 10 . 1 1 111 111 MET CA C 111 54.124 54.124 54.731 -0.607 18518 6687 1 10 . 1 1 111 111 MET CB C 111 36.960 36.960 37.811 -0.851 18518 6688 1 10 . 1 1 111 111 MET H H 111 9.658 9.658 9.022 0.636 18518 6689 1 10 . 1 1 112 112 VAL N N 112 119.865 119.865 117.802 2.063 18518 6690 1 10 . 1 1 112 112 VAL HA H 112 5.963 5.963 5.641 0.322 18518 6691 1 10 . 1 1 112 112 VAL C C 112 175.058 175.058 173.874 1.184 18518 6692 1 10 . 1 1 112 112 VAL CA C 112 58.911 58.911 59.235 -0.324 18518 6693 1 10 . 1 1 112 112 VAL CB C 112 36.051 36.051 35.508 0.543 18518 6694 1 10 . 1 1 112 112 VAL H H 112 8.794 8.794 9.053 -0.259 18518 6695 1 10 . 1 1 113 113 TYR N N 113 119.664 119.664 119.693 -0.029 18518 6696 1 10 . 1 1 113 113 TYR HA H 113 6.118 6.118 5.816 0.302 18518 6697 1 10 . 1 1 113 113 TYR C C 113 173.375 173.375 173.437 -0.062 18518 6698 1 10 . 1 1 113 113 TYR CA C 113 54.153 54.153 54.988 -0.835 18518 6699 1 10 . 1 1 113 113 TYR CB C 113 43.312 43.312 41.760 1.552 18518 6700 1 10 . 1 1 113 113 TYR H H 113 8.315 8.315 8.527 -0.212 18518 6701 1 10 . 1 1 114 114 ALA N N 114 119.763 119.763 122.961 -3.198 18518 6702 1 10 . 1 1 114 114 ALA HA H 114 4.800 4.800 4.868 -0.068 18518 6703 1 10 . 1 1 114 114 ALA C C 114 176.216 176.216 175.254 0.962 18518 6704 1 10 . 1 1 114 114 ALA CA C 114 51.132 51.132 51.968 -0.836 18518 6705 1 10 . 1 1 114 114 ALA CB C 114 24.596 24.596 22.355 2.240 18518 6706 1 10 . 1 1 114 114 ALA H H 114 8.465 8.465 9.012 -0.547 18518 6707 1 10 . 1 1 115 115 SER N N 115 114.763 114.763 116.400 -1.637 18518 6708 1 10 . 1 1 115 115 SER HA H 115 4.496 4.496 4.745 -0.249 18518 6709 1 10 . 1 1 115 115 SER C C 115 172.671 172.671 174.122 -1.451 18518 6710 1 10 . 1 1 115 115 SER CA C 115 58.651 58.651 58.276 0.376 18518 6711 1 10 . 1 1 115 115 SER CB C 115 63.526 63.526 62.219 1.307 18518 6712 1 10 . 1 1 115 115 SER H H 115 9.915 9.915 8.846 1.069 18518 6713 1 10 . 1 1 116 116 GLN N N 116 116.611 116.611 124.617 -8.006 18518 6714 1 10 . 1 1 116 116 GLN HA H 116 4.484 4.484 4.478 0.006 18518 6715 1 10 . 1 1 116 116 GLN C C 116 172.733 172.733 173.763 -1.030 18518 6716 1 10 . 1 1 116 116 GLN CA C 116 53.926 53.926 56.135 -2.209 18518 6717 1 10 . 1 1 116 116 GLN CB C 116 32.358 32.358 30.863 1.495 18518 6718 1 10 . 1 1 116 116 GLN H H 116 7.219 7.219 8.104 -0.885 18518 6719 1 10 . 1 1 117 117 GLU N N 117 117.623 117.623 122.132 -4.509 18518 6720 1 10 . 1 1 117 117 GLU HA H 117 3.287 3.287 2.711 0.576 18518 6721 1 10 . 1 1 117 117 GLU C C 117 175.168 175.168 175.676 -0.508 18518 6722 1 10 . 1 1 117 117 GLU CA C 117 56.882 56.882 56.947 -0.065 18518 6723 1 10 . 1 1 117 117 GLU CB C 117 30.522 30.522 29.661 0.861 18518 6724 1 10 . 1 1 117 117 GLU H H 117 7.882 7.882 8.616 -0.734 18518 6725 1 10 . 1 1 118 118 THR N N 118 109.820 109.820 110.644 -0.824 18518 6726 1 10 . 1 1 118 118 THR HA H 118 4.066 4.066 4.413 -0.347 18518 6727 1 10 . 1 1 118 118 THR C C 118 172.355 172.355 173.468 -1.113 18518 6728 1 10 . 1 1 118 118 THR CA C 118 60.029 60.029 60.053 -0.024 18518 6729 1 10 . 1 1 118 118 THR CB C 118 70.480 70.480 69.679 0.801 18518 6730 1 10 . 1 1 118 118 THR H H 118 6.992 6.992 7.272 -0.280 18518 6731 1 11 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.630 -0.294 18518 6732 1 11 . 1 1 2 2 ALA C C 2 177.974 177.974 176.724 1.250 18518 6733 1 11 . 1 1 2 2 ALA CA C 2 52.785 52.785 52.393 0.392 18518 6734 1 11 . 1 1 2 2 ALA CB C 2 19.444 19.444 18.873 0.571 18518 6735 1 11 . 1 1 3 3 MET N N 3 119.311 119.311 123.870 -4.559 18518 6736 1 11 . 1 1 3 3 MET HA H 3 4.451 4.451 4.562 -0.111 18518 6737 1 11 . 1 1 3 3 MET C C 3 176.913 176.913 175.425 1.488 18518 6738 1 11 . 1 1 3 3 MET CA C 3 55.679 55.679 55.407 0.272 18518 6739 1 11 . 1 1 3 3 MET CB C 3 32.590 32.590 35.130 -2.540 18518 6740 1 11 . 1 1 3 3 MET H H 3 8.638 8.638 8.482 0.156 18518 6741 1 11 . 1 1 4 4 GLY N N 4 110.281 110.281 111.154 -0.873 18518 6742 1 11 . 1 1 4 4 GLY C C 4 174.180 174.180 173.778 0.402 18518 6743 1 11 . 1 1 4 4 GLY CA C 4 45.495 45.495 44.922 0.573 18518 6744 1 11 . 1 1 4 4 GLY H H 4 8.552 8.552 8.536 0.016 18518 6745 1 11 . 1 1 5 5 LYS N N 5 120.818 120.818 125.607 -4.789 18518 6746 1 11 . 1 1 5 5 LYS HA H 5 4.509 4.509 4.292 0.217 18518 6747 1 11 . 1 1 5 5 LYS C C 5 177.605 177.605 176.394 1.211 18518 6748 1 11 . 1 1 5 5 LYS CA C 5 56.134 56.134 56.292 -0.158 18518 6749 1 11 . 1 1 5 5 LYS CB C 5 34.813 34.813 33.501 1.312 18518 6750 1 11 . 1 1 5 5 LYS H H 5 8.133 8.133 8.297 -0.164 18518 6751 1 11 . 1 1 6 6 THR N N 6 114.781 114.781 118.344 -3.563 18518 6752 1 11 . 1 1 6 6 THR HA H 6 4.421 4.421 4.530 -0.109 18518 6753 1 11 . 1 1 6 6 THR C C 6 175.524 175.524 175.557 -0.033 18518 6754 1 11 . 1 1 6 6 THR CA C 6 61.127 61.127 61.016 0.111 18518 6755 1 11 . 1 1 6 6 THR CB C 6 69.926 69.926 70.303 -0.377 18518 6756 1 11 . 1 1 6 6 THR H H 6 8.483 8.483 8.098 0.385 18518 6757 1 11 . 1 1 7 7 PHE N N 7 125.552 125.552 122.391 3.161 18518 6758 1 11 . 1 1 7 7 PHE HA H 7 4.005 4.005 4.178 -0.173 18518 6759 1 11 . 1 1 7 7 PHE C C 7 177.397 177.397 177.202 0.195 18518 6760 1 11 . 1 1 7 7 PHE CA C 7 63.393 63.393 61.632 1.762 18518 6761 1 11 . 1 1 7 7 PHE CB C 7 39.567 39.567 38.330 1.237 18518 6762 1 11 . 1 1 7 7 PHE H H 7 10.245 10.245 8.921 1.324 18518 6763 1 11 . 1 1 8 8 LYS N N 8 114.053 114.053 118.469 -4.416 18518 6764 1 11 . 1 1 8 8 LYS HA H 8 3.835 3.835 4.142 -0.307 18518 6765 1 11 . 1 1 8 8 LYS C C 8 175.520 175.520 178.596 -3.076 18518 6766 1 11 . 1 1 8 8 LYS CA C 8 59.993 59.993 58.740 1.253 18518 6767 1 11 . 1 1 8 8 LYS CB C 8 33.689 33.689 31.690 1.999 18518 6768 1 11 . 1 1 8 8 LYS H H 8 8.775 8.775 7.227 1.548 18518 6769 1 11 . 1 1 9 9 GLN N N 9 113.516 113.516 116.746 -3.230 18518 6770 1 11 . 1 1 9 9 GLN HA H 9 4.149 4.149 4.045 0.104 18518 6771 1 11 . 1 1 9 9 GLN C C 9 177.615 177.615 177.753 -0.138 18518 6772 1 11 . 1 1 9 9 GLN CA C 9 56.819 56.819 58.580 -1.761 18518 6773 1 11 . 1 1 9 9 GLN CB C 9 30.019 30.019 28.586 1.433 18518 6774 1 11 . 1 1 9 9 GLN H H 9 7.355 7.355 8.091 -0.736 18518 6775 1 11 . 1 1 10 10 ARG N N 10 118.294 118.294 116.187 2.107 18518 6776 1 11 . 1 1 10 10 ARG HA H 10 4.302 4.302 4.222 0.080 18518 6777 1 11 . 1 1 10 10 ARG C C 10 179.380 179.380 176.947 2.433 18518 6778 1 11 . 1 1 10 10 ARG CA C 10 57.268 57.268 57.448 -0.180 18518 6779 1 11 . 1 1 10 10 ARG CB C 10 31.642 31.642 30.900 0.742 18518 6780 1 11 . 1 1 10 10 ARG H H 10 7.936 7.936 7.773 0.163 18518 6781 1 11 . 1 1 11 11 ARG N N 11 121.137 121.137 119.624 1.513 18518 6782 1 11 . 1 1 11 11 ARG HA H 11 4.680 4.680 4.674 0.006 18518 6783 1 11 . 1 1 11 11 ARG CA C 11 53.453 53.453 54.924 -1.471 18518 6784 1 11 . 1 1 11 11 ARG CB C 11 32.938 32.938 32.712 0.226 18518 6785 1 11 . 1 1 11 11 ARG H H 11 7.390 7.390 7.551 -0.161 18518 6786 1 11 . 1 1 12 12 THR N N 12 116.819 116.819 120.195 -3.376 18518 6787 1 11 . 1 1 12 12 THR HA H 12 4.359 4.359 4.447 -0.088 18518 6788 1 11 . 1 1 12 12 THR C C 12 174.989 174.989 176.624 -1.635 18518 6789 1 11 . 1 1 12 12 THR CA C 12 61.748 61.748 62.297 -0.548 18518 6790 1 11 . 1 1 12 12 THR CB C 12 71.068 71.068 69.898 1.170 18518 6791 1 11 . 1 1 12 12 THR H H 12 8.953 8.953 8.439 0.514 18518 6792 1 11 . 1 1 13 13 PHE N N 13 123.200 123.200 124.427 -1.227 18518 6793 1 11 . 1 1 13 13 PHE HA H 13 4.028 4.028 4.188 -0.160 18518 6794 1 11 . 1 1 13 13 PHE C C 13 176.029 176.029 177.498 -1.469 18518 6795 1 11 . 1 1 13 13 PHE CA C 13 62.864 62.864 62.771 0.093 18518 6796 1 11 . 1 1 13 13 PHE CB C 13 39.560 39.560 38.907 0.653 18518 6797 1 11 . 1 1 13 13 PHE H H 13 9.284 9.284 8.964 0.320 18518 6798 1 11 . 1 1 14 14 GLU N N 14 115.414 115.414 117.911 -2.497 18518 6799 1 11 . 1 1 14 14 GLU HA H 14 3.794 3.794 4.135 -0.341 18518 6800 1 11 . 1 1 14 14 GLU C C 14 180.081 180.081 179.372 0.709 18518 6801 1 11 . 1 1 14 14 GLU CA C 14 60.619 60.619 60.738 -0.119 18518 6802 1 11 . 1 1 14 14 GLU CB C 14 28.852 28.852 29.020 -0.168 18518 6803 1 11 . 1 1 14 14 GLU H H 14 8.973 8.973 8.801 0.172 18518 6804 1 11 . 1 1 15 15 GLN N N 15 119.276 119.276 118.274 1.002 18518 6805 1 11 . 1 1 15 15 GLN HA H 15 4.000 4.000 4.132 -0.132 18518 6806 1 11 . 1 1 15 15 GLN C C 15 177.978 177.978 178.221 -0.243 18518 6807 1 11 . 1 1 15 15 GLN CA C 15 58.835 58.835 58.485 0.350 18518 6808 1 11 . 1 1 15 15 GLN CB C 15 29.370 29.370 28.205 1.165 18518 6809 1 11 . 1 1 15 15 GLN H H 15 7.756 7.756 8.053 -0.297 18518 6810 1 11 . 1 1 16 16 ARG N N 16 121.336 121.336 120.699 0.637 18518 6811 1 11 . 1 1 16 16 ARG HA H 16 4.270 4.270 4.181 0.089 18518 6812 1 11 . 1 1 16 16 ARG C C 16 177.416 177.416 178.637 -1.221 18518 6813 1 11 . 1 1 16 16 ARG CA C 16 61.375 61.375 59.624 1.751 18518 6814 1 11 . 1 1 16 16 ARG CB C 16 30.605 30.605 30.195 0.410 18518 6815 1 11 . 1 1 16 16 ARG H H 16 8.645 8.645 8.279 0.366 18518 6816 1 11 . 1 1 17 17 VAL N N 17 117.630 117.630 120.302 -2.672 18518 6817 1 11 . 1 1 17 17 VAL HA H 17 3.857 3.857 3.764 0.093 18518 6818 1 11 . 1 1 17 17 VAL C C 17 179.748 179.748 176.957 2.791 18518 6819 1 11 . 1 1 17 17 VAL CA C 17 65.726 65.726 66.074 -0.348 18518 6820 1 11 . 1 1 17 17 VAL CB C 17 32.194 32.194 31.956 0.238 18518 6821 1 11 . 1 1 17 17 VAL H H 17 8.373 8.373 8.502 -0.129 18518 6822 1 11 . 1 1 18 18 GLU N N 18 120.864 120.864 119.255 1.609 18518 6823 1 11 . 1 1 18 18 GLU HA H 18 4.302 4.302 3.964 0.338 18518 6824 1 11 . 1 1 18 18 GLU C C 18 177.728 177.728 178.430 -0.702 18518 6825 1 11 . 1 1 18 18 GLU CA C 18 58.486 58.486 60.033 -1.547 18518 6826 1 11 . 1 1 18 18 GLU CB C 18 29.382 29.382 29.329 0.053 18518 6827 1 11 . 1 1 18 18 GLU H H 18 7.368 7.368 8.044 -0.676 18518 6828 1 11 . 1 1 19 19 ASP N N 19 121.425 121.425 120.425 1.000 18518 6829 1 11 . 1 1 19 19 ASP HA H 19 4.434 4.434 4.408 0.026 18518 6830 1 11 . 1 1 19 19 ASP C C 19 179.978 179.978 178.833 1.145 18518 6831 1 11 . 1 1 19 19 ASP CA C 19 57.422 57.422 57.429 -0.007 18518 6832 1 11 . 1 1 19 19 ASP CB C 19 41.287 41.287 40.548 0.739 18518 6833 1 11 . 1 1 19 19 ASP H H 19 8.671 8.671 8.090 0.581 18518 6834 1 11 . 1 1 20 20 VAL N N 20 119.730 119.730 120.005 -0.275 18518 6835 1 11 . 1 1 20 20 VAL HA H 20 3.205 3.205 3.301 -0.096 18518 6836 1 11 . 1 1 20 20 VAL C C 20 176.284 176.284 177.772 -1.488 18518 6837 1 11 . 1 1 20 20 VAL CA C 20 66.315 66.315 66.517 -0.202 18518 6838 1 11 . 1 1 20 20 VAL CB C 20 31.107 31.107 31.601 -0.494 18518 6839 1 11 . 1 1 20 20 VAL H H 20 7.999 7.999 8.290 -0.291 18518 6840 1 11 . 1 1 21 21 ARG N N 21 121.455 121.455 119.288 2.167 18518 6841 1 11 . 1 1 21 21 ARG HA H 21 3.814 3.814 3.966 -0.152 18518 6842 1 11 . 1 1 21 21 ARG C C 21 180.120 180.120 178.898 1.222 18518 6843 1 11 . 1 1 21 21 ARG CA C 21 59.830 59.830 58.868 0.962 18518 6844 1 11 . 1 1 21 21 ARG CB C 21 29.946 29.946 29.192 0.754 18518 6845 1 11 . 1 1 21 21 ARG H H 21 8.098 8.098 7.812 0.286 18518 6846 1 11 . 1 1 22 22 LEU N N 22 117.826 117.826 121.165 -3.339 18518 6847 1 11 . 1 1 22 22 LEU HA H 22 4.049 4.049 4.069 -0.020 18518 6848 1 11 . 1 1 22 22 LEU C C 22 180.115 180.115 178.939 1.176 18518 6849 1 11 . 1 1 22 22 LEU CA C 22 57.790 57.790 58.112 -0.322 18518 6850 1 11 . 1 1 22 22 LEU CB C 22 42.142 42.142 41.330 0.812 18518 6851 1 11 . 1 1 22 22 LEU H H 22 8.207 8.207 8.408 -0.201 18518 6852 1 11 . 1 1 23 23 ILE N N 23 121.450 121.450 118.585 2.865 18518 6853 1 11 . 1 1 23 23 ILE HA H 23 4.013 4.013 3.712 0.301 18518 6854 1 11 . 1 1 23 23 ILE C C 23 178.149 178.149 178.678 -0.529 18518 6855 1 11 . 1 1 23 23 ILE CA C 23 62.171 62.171 64.153 -1.982 18518 6856 1 11 . 1 1 23 23 ILE CB C 23 38.106 38.106 36.682 1.424 18518 6857 1 11 . 1 1 23 23 ILE H H 23 8.105 8.105 8.348 -0.243 18518 6858 1 11 . 1 1 24 24 ARG N N 24 121.139 121.139 119.302 1.837 18518 6859 1 11 . 1 1 24 24 ARG HA H 24 3.987 3.987 4.106 -0.119 18518 6860 1 11 . 1 1 24 24 ARG C C 24 178.702 178.702 178.853 -0.151 18518 6861 1 11 . 1 1 24 24 ARG CA C 24 57.718 57.718 58.517 -0.799 18518 6862 1 11 . 1 1 24 24 ARG CB C 24 28.769 28.769 29.785 -1.016 18518 6863 1 11 . 1 1 24 24 ARG H H 24 8.601 8.601 8.296 0.305 18518 6864 1 11 . 1 1 25 25 GLU N N 25 118.054 118.054 119.203 -1.149 18518 6865 1 11 . 1 1 25 25 GLU HA H 25 4.026 4.026 4.146 -0.120 18518 6866 1 11 . 1 1 25 25 GLU C C 25 178.492 178.492 178.671 -0.179 18518 6867 1 11 . 1 1 25 25 GLU CA C 25 58.780 58.780 58.806 -0.026 18518 6868 1 11 . 1 1 25 25 GLU CB C 25 30.001 30.001 29.576 0.425 18518 6869 1 11 . 1 1 25 25 GLU H H 25 7.423 7.423 7.697 -0.274 18518 6870 1 11 . 1 1 26 26 GLN N N 26 116.350 116.350 116.352 -0.002 18518 6871 1 11 . 1 1 26 26 GLN HA H 26 3.936 3.936 4.093 -0.157 18518 6872 1 11 . 1 1 26 26 GLN C C 26 176.305 176.305 176.653 -0.348 18518 6873 1 11 . 1 1 26 26 GLN CA C 26 57.503 57.503 57.233 0.270 18518 6874 1 11 . 1 1 26 26 GLN CB C 26 30.207 30.207 29.804 0.403 18518 6875 1 11 . 1 1 26 26 GLN H H 26 7.524 7.524 7.779 -0.255 18518 6876 1 11 . 1 1 27 27 HIS N N 27 116.017 116.017 117.851 -1.834 18518 6877 1 11 . 1 1 27 27 HIS HA H 27 4.930 4.930 5.125 -0.195 18518 6878 1 11 . 1 1 27 27 HIS CA C 27 53.054 53.054 52.698 0.356 18518 6879 1 11 . 1 1 27 27 HIS CB C 27 30.747 30.747 30.264 0.483 18518 6880 1 11 . 1 1 27 27 HIS H H 27 8.284 8.284 8.056 0.228 18518 6881 1 11 . 1 1 28 28 PRO HA H 28 4.581 4.581 4.578 0.003 18518 6882 1 11 . 1 1 28 28 PRO CA C 28 64.919 64.919 64.533 0.386 18518 6883 1 11 . 1 1 28 28 PRO CB C 28 32.455 32.455 32.007 0.448 18518 6884 1 11 . 1 1 29 29 THR N N 29 107.011 107.011 108.334 -1.323 18518 6885 1 11 . 1 1 29 29 THR HA H 29 4.599 4.599 4.378 0.221 18518 6886 1 11 . 1 1 29 29 THR C C 29 172.884 172.884 173.824 -0.940 18518 6887 1 11 . 1 1 29 29 THR CA C 29 60.810 60.810 61.262 -0.452 18518 6888 1 11 . 1 1 29 29 THR CB C 29 68.531 68.531 68.834 -0.303 18518 6889 1 11 . 1 1 29 29 THR H H 29 7.890 7.890 8.271 -0.381 18518 6890 1 11 . 1 1 30 30 LYS N N 30 117.679 117.679 121.237 -3.558 18518 6891 1 11 . 1 1 30 30 LYS HA H 30 4.858 4.858 4.869 -0.011 18518 6892 1 11 . 1 1 30 30 LYS C C 30 174.310 174.310 174.620 -0.310 18518 6893 1 11 . 1 1 30 30 LYS CA C 30 53.751 53.751 53.854 -0.103 18518 6894 1 11 . 1 1 30 30 LYS CB C 30 35.804 35.804 35.651 0.153 18518 6895 1 11 . 1 1 30 30 LYS H H 30 7.441 7.441 7.656 -0.215 18518 6896 1 11 . 1 1 31 31 ILE N N 31 122.849 122.849 122.867 -0.018 18518 6897 1 11 . 1 1 31 31 ILE HA H 31 4.105 4.105 4.282 -0.177 18518 6898 1 11 . 1 1 31 31 ILE CA C 31 54.801 54.801 56.051 -1.250 18518 6899 1 11 . 1 1 31 31 ILE CB C 31 38.265 38.265 38.130 0.135 18518 6900 1 11 . 1 1 31 31 ILE H H 31 9.304 9.304 8.896 0.408 18518 6901 1 11 . 1 1 32 32 PRO HA H 32 5.159 5.159 4.953 0.206 18518 6902 1 11 . 1 1 32 32 PRO C C 32 174.164 174.164 176.311 -2.147 18518 6903 1 11 . 1 1 32 32 PRO CA C 32 61.503 61.503 61.803 -0.300 18518 6904 1 11 . 1 1 32 32 PRO CB C 32 31.145 31.145 30.500 0.645 18518 6905 1 11 . 1 1 33 33 VAL N N 33 125.606 125.606 121.134 4.472 18518 6906 1 11 . 1 1 33 33 VAL HA H 33 5.213 5.213 5.247 -0.034 18518 6907 1 11 . 1 1 33 33 VAL C C 33 173.654 173.654 174.393 -0.739 18518 6908 1 11 . 1 1 33 33 VAL CA C 33 60.044 60.044 59.572 0.472 18518 6909 1 11 . 1 1 33 33 VAL CB C 33 35.604 35.604 36.109 -0.505 18518 6910 1 11 . 1 1 33 33 VAL H H 33 9.424 9.424 8.615 0.809 18518 6911 1 11 . 1 1 34 34 ILE N N 34 128.241 128.241 123.563 4.678 18518 6912 1 11 . 1 1 34 34 ILE HA H 34 4.833 4.833 4.824 0.009 18518 6913 1 11 . 1 1 34 34 ILE C C 34 175.605 175.605 175.098 0.507 18518 6914 1 11 . 1 1 34 34 ILE CA C 34 56.765 56.765 58.552 -1.787 18518 6915 1 11 . 1 1 34 34 ILE CB C 34 36.799 36.799 38.434 -1.635 18518 6916 1 11 . 1 1 34 34 ILE H H 34 8.721 8.721 8.968 -0.247 18518 6917 1 11 . 1 1 35 35 ILE N N 35 125.650 125.650 128.524 -2.874 18518 6918 1 11 . 1 1 35 35 ILE HA H 35 4.836 4.836 4.599 0.237 18518 6919 1 11 . 1 1 35 35 ILE C C 35 174.887 174.887 174.352 0.535 18518 6920 1 11 . 1 1 35 35 ILE CA C 35 60.945 60.945 60.392 0.554 18518 6921 1 11 . 1 1 35 35 ILE CB C 35 39.210 39.210 39.070 0.140 18518 6922 1 11 . 1 1 35 35 ILE H H 35 9.034 9.034 9.140 -0.106 18518 6923 1 11 . 1 1 36 36 GLU N N 36 122.657 122.657 126.561 -3.904 18518 6924 1 11 . 1 1 36 36 GLU HA H 36 4.861 4.861 4.773 0.088 18518 6925 1 11 . 1 1 36 36 GLU C C 36 173.848 173.848 174.355 -0.507 18518 6926 1 11 . 1 1 36 36 GLU CA C 36 53.932 53.932 54.115 -0.183 18518 6927 1 11 . 1 1 36 36 GLU CB C 36 35.282 35.282 34.250 1.032 18518 6928 1 11 . 1 1 36 36 GLU H H 36 8.303 8.303 8.347 -0.044 18518 6929 1 11 . 1 1 37 37 ARG N N 37 123.228 123.228 125.481 -2.253 18518 6930 1 11 . 1 1 37 37 ARG HA H 37 2.726 2.726 3.307 -0.581 18518 6931 1 11 . 1 1 37 37 ARG C C 37 176.359 176.359 175.779 0.580 18518 6932 1 11 . 1 1 37 37 ARG CA C 37 56.359 56.359 56.128 0.231 18518 6933 1 11 . 1 1 37 37 ARG CB C 37 31.341 31.341 30.586 0.755 18518 6934 1 11 . 1 1 37 37 ARG H H 37 8.856 8.856 8.627 0.229 18518 6935 1 11 . 1 1 38 38 TYR N N 38 128.981 128.981 127.801 1.180 18518 6936 1 11 . 1 1 38 38 TYR HA H 38 4.352 4.352 4.284 0.068 18518 6937 1 11 . 1 1 38 38 TYR C C 38 177.316 177.316 176.530 0.786 18518 6938 1 11 . 1 1 38 38 TYR CA C 38 57.712 57.712 58.645 -0.933 18518 6939 1 11 . 1 1 38 38 TYR CB C 38 39.472 39.472 40.168 -0.696 18518 6940 1 11 . 1 1 38 38 TYR H H 38 8.628 8.628 8.507 0.121 18518 6941 1 11 . 1 1 39 39 LYS N N 39 130.635 130.635 125.247 5.388 18518 6942 1 11 . 1 1 39 39 LYS HA H 39 3.822 3.822 3.821 0.001 18518 6943 1 11 . 1 1 39 39 LYS CA C 39 58.887 58.887 57.958 0.929 18518 6944 1 11 . 1 1 39 39 LYS CB C 39 31.771 31.771 31.953 -0.182 18518 6945 1 11 . 1 1 39 39 LYS H H 39 8.594 8.594 7.701 0.893 18518 6946 1 11 . 1 1 40 40 GLY C C 40 173.447 173.447 173.893 -0.446 18518 6947 1 11 . 1 1 40 40 GLY CA C 40 44.663 44.663 44.284 0.379 18518 6948 1 11 . 1 1 40 40 GLY H H 40 5.188 5.188 6.933 -1.745 18518 6949 1 11 . 1 1 41 41 GLU N N 41 122.836 122.836 121.161 1.675 18518 6950 1 11 . 1 1 41 41 GLU HA H 41 4.257 4.257 4.328 -0.071 18518 6951 1 11 . 1 1 41 41 GLU C C 41 176.524 176.524 176.130 0.394 18518 6952 1 11 . 1 1 41 41 GLU CA C 41 56.525 56.525 55.781 0.744 18518 6953 1 11 . 1 1 41 41 GLU CB C 41 30.985 30.985 29.187 1.798 18518 6954 1 11 . 1 1 41 41 GLU H H 41 7.380 7.380 7.434 -0.054 18518 6955 1 11 . 1 1 42 42 LYS N N 42 124.040 124.040 127.482 -3.442 18518 6956 1 11 . 1 1 42 42 LYS HA H 42 4.675 4.675 4.529 0.146 18518 6957 1 11 . 1 1 42 42 LYS C C 42 177.538 177.538 176.842 0.696 18518 6958 1 11 . 1 1 42 42 LYS CA C 42 55.840 55.840 56.626 -0.786 18518 6959 1 11 . 1 1 42 42 LYS CB C 42 34.979 34.979 33.393 1.586 18518 6960 1 11 . 1 1 42 42 LYS H H 42 9.034 9.034 8.769 0.265 18518 6961 1 11 . 1 1 43 43 GLN N N 43 119.259 119.259 118.945 0.314 18518 6962 1 11 . 1 1 43 43 GLN HA H 43 4.542 4.542 4.440 0.102 18518 6963 1 11 . 1 1 43 43 GLN C C 43 177.336 177.336 176.458 0.878 18518 6964 1 11 . 1 1 43 43 GLN CA C 43 57.673 57.673 56.984 0.689 18518 6965 1 11 . 1 1 43 43 GLN CB C 43 30.782 30.782 30.118 0.664 18518 6966 1 11 . 1 1 43 43 GLN H H 43 8.435 8.435 8.893 -0.458 18518 6967 1 11 . 1 1 44 44 LEU N N 44 120.760 120.760 123.552 -2.792 18518 6968 1 11 . 1 1 44 44 LEU HA H 44 4.695 4.695 4.606 0.089 18518 6969 1 11 . 1 1 44 44 LEU CA C 44 53.245 53.245 53.190 0.055 18518 6970 1 11 . 1 1 44 44 LEU CB C 44 43.596 43.596 42.251 1.345 18518 6971 1 11 . 1 1 44 44 LEU H H 44 9.126 9.126 8.538 0.588 18518 6972 1 11 . 1 1 45 45 PRO HA H 45 4.717 4.717 4.656 0.061 18518 6973 1 11 . 1 1 45 45 PRO C C 45 175.797 175.797 176.512 -0.715 18518 6974 1 11 . 1 1 45 45 PRO CA C 45 62.111 62.111 62.114 -0.003 18518 6975 1 11 . 1 1 45 45 PRO CB C 45 32.592 32.592 32.570 0.022 18518 6976 1 11 . 1 1 46 46 VAL N N 46 119.052 119.052 120.538 -1.486 18518 6977 1 11 . 1 1 46 46 VAL HA H 46 3.867 3.867 4.019 -0.152 18518 6978 1 11 . 1 1 46 46 VAL C C 46 175.640 175.640 176.236 -0.596 18518 6979 1 11 . 1 1 46 46 VAL CA C 46 62.944 62.944 62.619 0.325 18518 6980 1 11 . 1 1 46 46 VAL CB C 46 32.799 32.799 32.381 0.418 18518 6981 1 11 . 1 1 46 46 VAL H H 46 8.543 8.543 8.314 0.229 18518 6982 1 11 . 1 1 47 47 LEU N N 47 130.203 130.203 127.633 2.570 18518 6983 1 11 . 1 1 47 47 LEU HA H 47 4.309 4.309 4.419 -0.110 18518 6984 1 11 . 1 1 47 47 LEU C C 47 176.198 176.198 177.471 -1.273 18518 6985 1 11 . 1 1 47 47 LEU CA C 47 55.006 55.006 55.619 -0.613 18518 6986 1 11 . 1 1 47 47 LEU CB C 47 43.832 43.832 42.604 1.228 18518 6987 1 11 . 1 1 47 47 LEU H H 47 7.799 7.799 8.524 -0.725 18518 6988 1 11 . 1 1 48 48 ASP N N 48 122.403 122.403 124.959 -2.556 18518 6989 1 11 . 1 1 48 48 ASP HA H 48 4.263 4.263 4.556 -0.293 18518 6990 1 11 . 1 1 48 48 ASP C C 48 175.294 175.294 176.020 -0.726 18518 6991 1 11 . 1 1 48 48 ASP CA C 48 55.832 55.832 55.709 0.123 18518 6992 1 11 . 1 1 48 48 ASP CB C 48 40.184 40.184 41.441 -1.257 18518 6993 1 11 . 1 1 48 48 ASP H H 48 8.780 8.780 8.579 0.201 18518 6994 1 11 . 1 1 49 49 LYS N N 49 119.569 119.569 116.811 2.758 18518 6995 1 11 . 1 1 49 49 LYS HA H 49 4.585 4.585 4.561 0.024 18518 6996 1 11 . 1 1 49 49 LYS C C 49 174.678 174.678 175.533 -0.855 18518 6997 1 11 . 1 1 49 49 LYS CA C 49 53.652 53.652 55.114 -1.462 18518 6998 1 11 . 1 1 49 49 LYS CB C 49 35.945 35.945 34.691 1.254 18518 6999 1 11 . 1 1 49 49 LYS H H 49 7.280 7.280 7.563 -0.283 18518 7000 1 11 . 1 1 50 50 THR N N 50 110.862 110.862 115.000 -4.138 18518 7001 1 11 . 1 1 50 50 THR HA H 50 4.811 4.811 4.910 -0.099 18518 7002 1 11 . 1 1 50 50 THR C C 50 172.425 172.425 174.262 -1.837 18518 7003 1 11 . 1 1 50 50 THR CA C 50 62.645 62.645 62.848 -0.203 18518 7004 1 11 . 1 1 50 50 THR CB C 50 71.648 71.648 70.571 1.077 18518 7005 1 11 . 1 1 50 50 THR H H 50 8.042 8.042 8.393 -0.351 18518 7006 1 11 . 1 1 51 51 LYS N N 51 120.008 120.008 122.492 -2.484 18518 7007 1 11 . 1 1 51 51 LYS HA H 51 4.625 4.625 4.831 -0.206 18518 7008 1 11 . 1 1 51 51 LYS C C 51 175.082 175.082 175.974 -0.892 18518 7009 1 11 . 1 1 51 51 LYS CA C 51 54.704 54.704 56.466 -1.762 18518 7010 1 11 . 1 1 51 51 LYS CB C 51 32.376 32.376 33.228 -0.853 18518 7011 1 11 . 1 1 51 51 LYS H H 51 7.119 7.119 7.766 -0.647 18518 7012 1 11 . 1 1 52 52 PHE N N 52 122.640 122.640 124.187 -1.547 18518 7013 1 11 . 1 1 52 52 PHE HA H 52 5.337 5.337 4.800 0.537 18518 7014 1 11 . 1 1 52 52 PHE C C 52 174.213 174.213 174.064 0.149 18518 7015 1 11 . 1 1 52 52 PHE CA C 52 56.611 56.611 56.874 -0.263 18518 7016 1 11 . 1 1 52 52 PHE CB C 52 43.140 43.140 43.333 -0.193 18518 7017 1 11 . 1 1 52 52 PHE H H 52 9.709 9.709 9.294 0.415 18518 7018 1 11 . 1 1 53 53 LEU N N 53 122.157 122.157 123.274 -1.117 18518 7019 1 11 . 1 1 53 53 LEU HA H 53 4.947 4.947 4.886 0.061 18518 7020 1 11 . 1 1 53 53 LEU C C 53 175.769 175.769 175.585 0.184 18518 7021 1 11 . 1 1 53 53 LEU CA C 53 52.957 52.957 53.843 -0.886 18518 7022 1 11 . 1 1 53 53 LEU CB C 53 44.415 44.415 43.961 0.454 18518 7023 1 11 . 1 1 53 53 LEU H H 53 8.959 8.959 8.523 0.436 18518 7024 1 11 . 1 1 54 54 VAL N N 54 124.919 124.919 125.723 -0.804 18518 7025 1 11 . 1 1 54 54 VAL HA H 54 4.559 4.559 4.536 0.023 18518 7026 1 11 . 1 1 54 54 VAL CA C 54 59.130 59.130 58.836 0.295 18518 7027 1 11 . 1 1 54 54 VAL CB C 54 34.968 34.968 33.007 1.961 18518 7028 1 11 . 1 1 54 54 VAL H H 54 8.922 8.922 8.659 0.263 18518 7029 1 11 . 1 1 55 55 PRO HA H 55 4.441 4.441 4.664 -0.223 18518 7030 1 11 . 1 1 55 55 PRO C C 55 176.594 176.594 178.036 -1.442 18518 7031 1 11 . 1 1 55 55 PRO CA C 55 64.315 64.315 62.031 2.284 18518 7032 1 11 . 1 1 55 55 PRO CB C 55 32.665 32.665 31.620 1.044 18518 7033 1 11 . 1 1 56 56 ASP N N 56 120.522 120.522 123.688 -3.166 18518 7034 1 11 . 1 1 56 56 ASP HA H 56 3.862 3.862 4.177 -0.315 18518 7035 1 11 . 1 1 56 56 ASP C C 56 175.809 175.809 176.572 -0.763 18518 7036 1 11 . 1 1 56 56 ASP CA C 56 56.749 56.749 56.804 -0.056 18518 7037 1 11 . 1 1 56 56 ASP CB C 56 40.510 40.510 40.517 -0.007 18518 7038 1 11 . 1 1 56 56 ASP H H 56 8.347 8.347 8.194 0.152 18518 7039 1 11 . 1 1 57 57 HIS N N 57 113.482 113.482 114.835 -1.353 18518 7040 1 11 . 1 1 57 57 HIS HA H 57 4.720 4.720 4.608 0.112 18518 7041 1 11 . 1 1 57 57 HIS C C 57 176.507 176.507 175.321 1.186 18518 7042 1 11 . 1 1 57 57 HIS CA C 57 55.589 55.589 56.053 -0.464 18518 7043 1 11 . 1 1 57 57 HIS CB C 57 30.643 30.643 29.495 1.148 18518 7044 1 11 . 1 1 57 57 HIS H H 57 7.557 7.557 8.028 -0.471 18518 7045 1 11 . 1 1 58 58 VAL N N 58 123.279 123.279 120.769 2.510 18518 7046 1 11 . 1 1 58 58 VAL HA H 58 3.836 3.836 4.282 -0.446 18518 7047 1 11 . 1 1 58 58 VAL C C 58 175.019 175.019 174.712 0.307 18518 7048 1 11 . 1 1 58 58 VAL CA C 58 62.823 62.823 60.541 2.282 18518 7049 1 11 . 1 1 58 58 VAL CB C 58 32.310 32.310 34.223 -1.913 18518 7050 1 11 . 1 1 58 58 VAL H H 58 7.345 7.345 7.415 -0.070 18518 7051 1 11 . 1 1 59 59 ASN N N 59 123.781 123.781 119.784 3.997 18518 7052 1 11 . 1 1 59 59 ASN HA H 59 5.126 5.126 5.181 -0.055 18518 7053 1 11 . 1 1 59 59 ASN C C 59 176.558 176.558 176.359 0.199 18518 7054 1 11 . 1 1 59 59 ASN CA C 59 51.485 51.485 51.353 0.132 18518 7055 1 11 . 1 1 59 59 ASN CB C 59 40.107 40.107 40.535 -0.428 18518 7056 1 11 . 1 1 59 59 ASN H H 59 8.735 8.735 8.090 0.645 18518 7057 1 11 . 1 1 60 60 MET N N 60 117.453 117.453 119.134 -1.681 18518 7058 1 11 . 1 1 60 60 MET HA H 60 4.395 4.395 3.995 0.400 18518 7059 1 11 . 1 1 60 60 MET C C 60 178.144 178.144 177.938 0.206 18518 7060 1 11 . 1 1 60 60 MET CA C 60 57.097 57.097 60.163 -3.066 18518 7061 1 11 . 1 1 60 60 MET CB C 60 30.140 30.140 32.184 -2.044 18518 7062 1 11 . 1 1 60 60 MET H H 60 8.227 8.227 8.843 -0.616 18518 7063 1 11 . 1 1 61 61 SER N N 61 114.216 114.216 115.873 -1.657 18518 7064 1 11 . 1 1 61 61 SER HA H 61 4.111 4.111 4.056 0.055 18518 7065 1 11 . 1 1 61 61 SER C C 61 177.335 177.335 177.133 0.202 18518 7066 1 11 . 1 1 61 61 SER CA C 61 61.590 61.590 62.242 -0.652 18518 7067 1 11 . 1 1 61 61 SER CB C 61 62.402 62.402 62.760 -0.358 18518 7068 1 11 . 1 1 61 61 SER H H 61 8.464 8.464 8.108 0.356 18518 7069 1 11 . 1 1 62 62 GLU N N 62 123.004 123.004 120.650 2.354 18518 7070 1 11 . 1 1 62 62 GLU HA H 62 4.047 4.047 4.134 -0.087 18518 7071 1 11 . 1 1 62 62 GLU C C 62 178.686 178.686 178.930 -0.244 18518 7072 1 11 . 1 1 62 62 GLU CA C 62 58.625 58.625 58.365 0.260 18518 7073 1 11 . 1 1 62 62 GLU CB C 62 29.654 29.654 29.184 0.470 18518 7074 1 11 . 1 1 62 62 GLU H H 62 7.994 7.994 7.723 0.271 18518 7075 1 11 . 1 1 63 63 LEU N N 63 120.818 120.818 122.213 -1.395 18518 7076 1 11 . 1 1 63 63 LEU HA H 63 3.965 3.965 3.992 -0.027 18518 7077 1 11 . 1 1 63 63 LEU C C 63 178.046 178.046 178.806 -0.760 18518 7078 1 11 . 1 1 63 63 LEU CA C 63 57.920 57.920 58.068 -0.148 18518 7079 1 11 . 1 1 63 63 LEU CB C 63 41.624 41.624 41.694 -0.070 18518 7080 1 11 . 1 1 63 63 LEU H H 63 8.130 8.130 7.775 0.355 18518 7081 1 11 . 1 1 64 64 ILE N N 64 118.528 118.528 118.694 -0.166 18518 7082 1 11 . 1 1 64 64 ILE HA H 64 3.369 3.369 3.593 -0.224 18518 7083 1 11 . 1 1 64 64 ILE C C 64 177.127 177.127 177.668 -0.541 18518 7084 1 11 . 1 1 64 64 ILE CA C 64 66.678 66.678 65.270 1.408 18518 7085 1 11 . 1 1 64 64 ILE CB C 64 38.444 38.444 37.461 0.983 18518 7086 1 11 . 1 1 64 64 ILE H H 64 8.488 8.488 8.373 0.115 18518 7087 1 11 . 1 1 65 65 LYS N N 65 118.336 118.336 120.995 -2.659 18518 7088 1 11 . 1 1 65 65 LYS HA H 65 3.701 3.701 3.938 -0.237 18518 7089 1 11 . 1 1 65 65 LYS C C 65 179.291 179.291 179.174 0.117 18518 7090 1 11 . 1 1 65 65 LYS CA C 65 60.440 60.440 60.060 0.380 18518 7091 1 11 . 1 1 65 65 LYS CB C 65 32.371 32.371 32.172 0.199 18518 7092 1 11 . 1 1 65 65 LYS H H 65 7.347 7.347 7.584 -0.237 18518 7093 1 11 . 1 1 66 66 ILE N N 66 120.171 120.171 119.874 0.297 18518 7094 1 11 . 1 1 66 66 ILE HA H 66 3.578 3.578 3.701 -0.123 18518 7095 1 11 . 1 1 66 66 ILE C C 66 178.873 178.873 178.086 0.787 18518 7096 1 11 . 1 1 66 66 ILE CA C 66 65.160 65.160 65.059 0.101 18518 7097 1 11 . 1 1 66 66 ILE CB C 66 38.633 38.633 38.012 0.621 18518 7098 1 11 . 1 1 66 66 ILE H H 66 7.901 7.901 7.954 -0.053 18518 7099 1 11 . 1 1 67 67 ILE N N 67 121.185 121.185 120.820 0.365 18518 7100 1 11 . 1 1 67 67 ILE HA H 67 3.446 3.446 3.532 -0.086 18518 7101 1 11 . 1 1 67 67 ILE C C 67 177.150 177.150 177.783 -0.633 18518 7102 1 11 . 1 1 67 67 ILE CA C 67 62.806 62.806 65.088 -2.282 18518 7103 1 11 . 1 1 67 67 ILE CB C 67 34.995 34.995 37.434 -2.439 18518 7104 1 11 . 1 1 67 67 ILE H H 67 8.290 8.290 7.714 0.576 18518 7105 1 11 . 1 1 68 68 ARG N N 68 119.173 119.173 118.343 0.830 18518 7106 1 11 . 1 1 68 68 ARG HA H 68 2.931 2.931 3.772 -0.841 18518 7107 1 11 . 1 1 68 68 ARG C C 68 178.496 178.496 178.571 -0.075 18518 7108 1 11 . 1 1 68 68 ARG CA C 68 60.636 60.636 59.299 1.337 18518 7109 1 11 . 1 1 68 68 ARG CB C 68 30.440 30.440 29.779 0.661 18518 7110 1 11 . 1 1 68 68 ARG H H 68 8.438 8.438 8.402 0.036 18518 7111 1 11 . 1 1 69 69 ARG N N 69 116.511 116.511 120.765 -4.254 18518 7112 1 11 . 1 1 69 69 ARG HA H 69 4.134 4.134 3.953 0.181 18518 7113 1 11 . 1 1 69 69 ARG C C 69 180.262 180.262 178.296 1.966 18518 7114 1 11 . 1 1 69 69 ARG CA C 69 58.707 58.707 59.489 -0.782 18518 7115 1 11 . 1 1 69 69 ARG CB C 69 29.953 29.953 30.225 -0.272 18518 7116 1 11 . 1 1 69 69 ARG H H 69 7.497 7.497 8.294 -0.797 18518 7117 1 11 . 1 1 70 70 ARG N N 70 123.297 123.297 117.240 6.057 18518 7118 1 11 . 1 1 70 70 ARG HA H 70 4.016 4.016 4.131 -0.115 18518 7119 1 11 . 1 1 70 70 ARG C C 70 178.700 178.700 178.351 0.349 18518 7120 1 11 . 1 1 70 70 ARG CA C 70 59.460 59.460 58.313 1.147 18518 7121 1 11 . 1 1 70 70 ARG CB C 70 30.312 30.312 29.646 0.666 18518 7122 1 11 . 1 1 70 70 ARG H H 70 8.075 8.075 7.892 0.183 18518 7123 1 11 . 1 1 71 71 LEU N N 71 116.829 116.829 119.147 -2.318 18518 7124 1 11 . 1 1 71 71 LEU HA H 71 4.065 4.065 4.018 0.047 18518 7125 1 11 . 1 1 71 71 LEU C C 71 174.956 174.956 176.734 -1.778 18518 7126 1 11 . 1 1 71 71 LEU CA C 71 55.126 55.126 56.455 -1.329 18518 7127 1 11 . 1 1 71 71 LEU CB C 71 43.246 43.246 42.287 0.959 18518 7128 1 11 . 1 1 71 71 LEU H H 71 7.719 7.719 7.643 0.076 18518 7129 1 11 . 1 1 72 72 GLN N N 72 114.991 114.991 113.277 1.714 18518 7130 1 11 . 1 1 72 72 GLN HA H 72 3.836 3.836 3.873 -0.037 18518 7131 1 11 . 1 1 72 72 GLN C C 72 175.683 175.683 175.671 0.012 18518 7132 1 11 . 1 1 72 72 GLN CA C 72 56.325 56.325 56.053 0.272 18518 7133 1 11 . 1 1 72 72 GLN CB C 72 26.004 26.004 26.049 -0.045 18518 7134 1 11 . 1 1 72 72 GLN H H 72 7.744 7.744 7.783 -0.039 18518 7135 1 11 . 1 1 73 73 LEU N N 73 115.045 115.045 113.575 1.470 18518 7136 1 11 . 1 1 73 73 LEU HA H 73 4.236 4.236 4.173 0.063 18518 7137 1 11 . 1 1 73 73 LEU C C 73 178.762 178.762 177.133 1.629 18518 7138 1 11 . 1 1 73 73 LEU CA C 73 54.386 54.386 54.566 -0.180 18518 7139 1 11 . 1 1 73 73 LEU CB C 73 42.091 42.091 41.850 0.241 18518 7140 1 11 . 1 1 73 73 LEU H H 73 7.500 7.500 7.540 -0.040 18518 7141 1 11 . 1 1 74 74 ASN N N 74 121.700 121.700 119.654 2.046 18518 7142 1 11 . 1 1 74 74 ASN HA H 74 4.690 4.690 4.582 0.108 18518 7143 1 11 . 1 1 74 74 ASN C C 74 176.617 176.617 176.140 0.477 18518 7144 1 11 . 1 1 74 74 ASN CA C 74 52.685 52.685 53.259 -0.574 18518 7145 1 11 . 1 1 74 74 ASN CB C 74 39.598 39.598 40.090 -0.492 18518 7146 1 11 . 1 1 74 74 ASN H H 74 9.045 9.045 8.201 0.844 18518 7147 1 11 . 1 1 75 75 ALA N N 75 123.952 123.952 124.288 -0.336 18518 7148 1 11 . 1 1 75 75 ALA HA H 75 3.964 3.964 4.174 -0.210 18518 7149 1 11 . 1 1 75 75 ALA C C 75 178.131 178.131 177.799 0.332 18518 7150 1 11 . 1 1 75 75 ALA CA C 75 54.868 54.868 54.359 0.509 18518 7151 1 11 . 1 1 75 75 ALA CB C 75 18.718 18.718 19.051 -0.333 18518 7152 1 11 . 1 1 75 75 ALA H H 75 8.784 8.784 8.516 0.268 18518 7153 1 11 . 1 1 76 76 ASN N N 76 112.295 112.295 114.914 -2.619 18518 7154 1 11 . 1 1 76 76 ASN HA H 76 4.580 4.580 4.623 -0.043 18518 7155 1 11 . 1 1 76 76 ASN C C 76 175.448 175.448 175.060 0.388 18518 7156 1 11 . 1 1 76 76 ASN CA C 76 53.214 53.214 53.650 -0.436 18518 7157 1 11 . 1 1 76 76 ASN CB C 76 38.320 38.320 38.463 -0.143 18518 7158 1 11 . 1 1 76 76 ASN H H 76 8.391 8.391 8.393 -0.002 18518 7159 1 11 . 1 1 77 77 GLN N N 77 120.577 120.577 117.704 2.873 18518 7160 1 11 . 1 1 77 77 GLN HA H 77 4.273 4.273 4.678 -0.405 18518 7161 1 11 . 1 1 77 77 GLN C C 77 175.045 175.045 174.248 0.797 18518 7162 1 11 . 1 1 77 77 GLN CA C 77 55.805 55.805 54.723 1.082 18518 7163 1 11 . 1 1 77 77 GLN CB C 77 30.157 30.157 30.631 -0.474 18518 7164 1 11 . 1 1 77 77 GLN H H 77 7.552 7.552 7.316 0.236 18518 7165 1 11 . 1 1 78 78 ALA N N 78 130.670 130.670 124.063 6.607 18518 7166 1 11 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.657 -0.486 18518 7167 1 11 . 1 1 78 78 ALA C C 78 176.512 176.512 175.352 1.160 18518 7168 1 11 . 1 1 78 78 ALA CA C 78 52.842 52.842 51.201 1.641 18518 7169 1 11 . 1 1 78 78 ALA CB C 78 20.060 20.060 21.700 -1.640 18518 7170 1 11 . 1 1 78 78 ALA H H 78 8.799 8.799 8.847 -0.048 18518 7171 1 11 . 1 1 79 79 PHE N N 79 119.325 119.325 116.846 2.479 18518 7172 1 11 . 1 1 79 79 PHE HA H 79 4.434 4.434 5.060 -0.626 18518 7173 1 11 . 1 1 79 79 PHE C C 79 171.726 171.726 172.920 -1.194 18518 7174 1 11 . 1 1 79 79 PHE CA C 79 59.145 59.145 55.865 3.280 18518 7175 1 11 . 1 1 79 79 PHE CB C 79 42.171 42.171 42.044 0.127 18518 7176 1 11 . 1 1 79 79 PHE H H 79 7.664 7.664 8.150 -0.486 18518 7177 1 11 . 1 1 80 80 PHE N N 80 126.314 126.314 118.047 8.267 18518 7178 1 11 . 1 1 80 80 PHE HA H 80 4.392 4.392 4.241 0.151 18518 7179 1 11 . 1 1 80 80 PHE C C 80 177.169 177.169 172.947 4.222 18518 7180 1 11 . 1 1 80 80 PHE CA C 80 56.653 56.653 56.382 0.271 18518 7181 1 11 . 1 1 80 80 PHE CB C 80 41.933 41.933 43.007 -1.073 18518 7182 1 11 . 1 1 80 80 PHE H H 80 8.508 8.508 9.042 -0.534 18518 7183 1 11 . 1 1 81 81 LEU N N 81 121.426 121.426 121.384 0.042 18518 7184 1 11 . 1 1 81 81 LEU HA H 81 4.851 4.851 5.096 -0.245 18518 7185 1 11 . 1 1 81 81 LEU C C 81 174.488 174.488 174.763 -0.275 18518 7186 1 11 . 1 1 81 81 LEU CA C 81 53.197 53.197 53.966 -0.769 18518 7187 1 11 . 1 1 81 81 LEU CB C 81 45.100 45.100 45.305 -0.205 18518 7188 1 11 . 1 1 81 81 LEU H H 81 8.229 8.229 8.458 -0.229 18518 7189 1 11 . 1 1 82 82 LEU N N 82 125.155 125.155 125.660 -0.505 18518 7190 1 11 . 1 1 82 82 LEU HA H 82 4.833 4.833 4.531 0.302 18518 7191 1 11 . 1 1 82 82 LEU C C 82 177.166 177.166 174.744 2.422 18518 7192 1 11 . 1 1 82 82 LEU CA C 82 54.197 54.197 53.697 0.500 18518 7193 1 11 . 1 1 82 82 LEU CB C 82 43.442 43.442 44.392 -0.950 18518 7194 1 11 . 1 1 82 82 LEU H H 82 9.400 9.400 9.181 0.219 18518 7195 1 11 . 1 1 83 83 VAL N N 83 123.886 123.886 120.242 3.644 18518 7196 1 11 . 1 1 83 83 VAL HA H 83 4.379 4.379 4.524 -0.145 18518 7197 1 11 . 1 1 83 83 VAL C C 83 175.810 175.810 176.508 -0.698 18518 7198 1 11 . 1 1 83 83 VAL CA C 83 61.677 61.677 60.865 0.812 18518 7199 1 11 . 1 1 83 83 VAL CB C 83 33.758 33.758 32.780 0.978 18518 7200 1 11 . 1 1 83 83 VAL H H 83 8.721 8.721 8.546 0.175 18518 7201 1 11 . 1 1 84 84 ASN N N 84 126.474 126.474 128.206 -1.732 18518 7202 1 11 . 1 1 84 84 ASN HA H 84 4.396 4.396 4.404 -0.008 18518 7203 1 11 . 1 1 84 84 ASN C C 84 175.164 175.164 175.212 -0.048 18518 7204 1 11 . 1 1 84 84 ASN CA C 84 54.738 54.738 54.646 0.092 18518 7205 1 11 . 1 1 84 84 ASN CB C 84 37.950 37.950 37.471 0.479 18518 7206 1 11 . 1 1 84 84 ASN H H 84 9.707 9.707 9.372 0.335 18518 7207 1 11 . 1 1 85 85 GLY N N 85 101.296 101.296 104.422 -3.126 18518 7208 1 11 . 1 1 85 85 GLY C C 85 173.680 173.680 173.059 0.621 18518 7209 1 11 . 1 1 85 85 GLY CA C 85 45.603 45.603 45.174 0.429 18518 7210 1 11 . 1 1 85 85 GLY H H 85 8.644 8.644 8.478 0.166 18518 7211 1 11 . 1 1 86 86 HIS N N 86 117.238 117.238 113.500 3.738 18518 7212 1 11 . 1 1 86 86 HIS HA H 86 5.017 5.017 4.690 0.327 18518 7213 1 11 . 1 1 86 86 HIS C C 86 173.841 173.841 173.720 0.121 18518 7214 1 11 . 1 1 86 86 HIS CA C 86 53.796 53.796 53.547 0.249 18518 7215 1 11 . 1 1 86 86 HIS CB C 86 31.280 31.280 32.295 -1.016 18518 7216 1 11 . 1 1 86 86 HIS H H 86 7.918 7.918 7.820 0.098 18518 7217 1 11 . 1 1 87 87 SER N N 87 118.179 118.179 118.755 -0.576 18518 7218 1 11 . 1 1 87 87 SER HA H 87 4.699 4.699 4.532 0.167 18518 7219 1 11 . 1 1 87 87 SER C C 87 175.904 175.904 174.689 1.215 18518 7220 1 11 . 1 1 87 87 SER CA C 87 58.271 58.271 57.535 0.736 18518 7221 1 11 . 1 1 87 87 SER CB C 87 63.735 63.735 62.298 1.437 18518 7222 1 11 . 1 1 87 87 SER H H 87 8.977 8.977 8.751 0.226 18518 7223 1 11 . 1 1 88 88 MET N N 88 125.472 125.472 124.570 0.902 18518 7224 1 11 . 1 1 88 88 MET HA H 88 4.830 4.830 4.695 0.135 18518 7225 1 11 . 1 1 88 88 MET C C 88 176.419 176.419 175.228 1.191 18518 7226 1 11 . 1 1 88 88 MET CA C 88 54.899 54.899 55.704 -0.805 18518 7227 1 11 . 1 1 88 88 MET CB C 88 33.336 33.336 33.187 0.149 18518 7228 1 11 . 1 1 88 88 MET H H 88 9.184 9.184 8.044 1.140 18518 7229 1 11 . 1 1 89 89 VAL N N 89 120.747 120.747 119.887 0.860 18518 7230 1 11 . 1 1 89 89 VAL HA H 89 4.232 4.232 4.406 -0.174 18518 7231 1 11 . 1 1 89 89 VAL C C 89 175.958 175.958 175.549 0.409 18518 7232 1 11 . 1 1 89 89 VAL CA C 89 63.154 63.154 60.861 2.293 18518 7233 1 11 . 1 1 89 89 VAL CB C 89 31.878 31.878 33.385 -1.507 18518 7234 1 11 . 1 1 89 89 VAL H H 89 8.233 8.233 7.605 0.628 18518 7235 1 11 . 1 1 90 90 SER N N 90 117.362 117.362 117.481 -0.119 18518 7236 1 11 . 1 1 90 90 SER HA H 90 4.590 4.590 4.670 -0.080 18518 7237 1 11 . 1 1 90 90 SER C C 90 175.741 175.741 174.754 0.987 18518 7238 1 11 . 1 1 90 90 SER CA C 90 57.717 57.717 58.396 -0.679 18518 7239 1 11 . 1 1 90 90 SER CB C 90 63.223 63.223 64.069 -0.846 18518 7240 1 11 . 1 1 90 90 SER H H 90 8.482 8.482 8.449 0.033 18518 7241 1 11 . 1 1 91 91 VAL N N 91 120.466 120.466 115.955 4.511 18518 7242 1 11 . 1 1 91 91 VAL HA H 91 4.047 4.047 4.287 -0.240 18518 7243 1 11 . 1 1 91 91 VAL C C 91 176.329 176.329 175.105 1.224 18518 7244 1 11 . 1 1 91 91 VAL CA C 91 63.492 63.492 63.428 0.064 18518 7245 1 11 . 1 1 91 91 VAL CB C 91 32.568 32.568 32.266 0.302 18518 7246 1 11 . 1 1 91 91 VAL H H 91 8.188 8.188 8.285 -0.097 18518 7247 1 11 . 1 1 92 92 SER N N 92 116.398 116.398 114.694 1.704 18518 7248 1 11 . 1 1 92 92 SER HA H 92 4.636 4.636 4.631 0.005 18518 7249 1 11 . 1 1 92 92 SER C C 92 174.159 174.159 174.707 -0.548 18518 7250 1 11 . 1 1 92 92 SER CA C 92 57.805 57.805 57.648 0.157 18518 7251 1 11 . 1 1 92 92 SER CB C 92 63.046 63.046 63.459 -0.412 18518 7252 1 11 . 1 1 92 92 SER H H 92 8.370 8.370 8.038 0.332 18518 7253 1 11 . 1 1 93 93 THR N N 93 119.211 119.211 117.182 2.029 18518 7254 1 11 . 1 1 93 93 THR HA H 93 4.484 4.484 4.586 -0.102 18518 7255 1 11 . 1 1 93 93 THR CA C 93 60.884 60.884 59.427 1.457 18518 7256 1 11 . 1 1 93 93 THR CB C 93 70.609 70.609 68.789 1.820 18518 7257 1 11 . 1 1 93 93 THR H H 93 7.416 7.416 7.559 -0.143 18518 7258 1 11 . 1 1 94 94 PRO HA H 94 4.440 4.440 4.691 -0.251 18518 7259 1 11 . 1 1 94 94 PRO C C 94 178.775 178.775 177.049 1.726 18518 7260 1 11 . 1 1 94 94 PRO CA C 94 62.943 62.943 62.115 0.828 18518 7261 1 11 . 1 1 94 94 PRO CB C 94 32.649 32.649 32.506 0.143 18518 7262 1 11 . 1 1 95 95 ILE N N 95 124.174 124.174 126.577 -2.403 18518 7263 1 11 . 1 1 95 95 ILE HA H 95 3.949 3.949 3.816 0.133 18518 7264 1 11 . 1 1 95 95 ILE C C 95 176.498 176.498 176.829 -0.331 18518 7265 1 11 . 1 1 95 95 ILE CA C 95 63.904 63.904 62.804 1.100 18518 7266 1 11 . 1 1 95 95 ILE CB C 95 38.182 38.182 38.114 0.068 18518 7267 1 11 . 1 1 95 95 ILE H H 95 9.305 9.305 8.848 0.457 18518 7268 1 11 . 1 1 96 96 SER N N 96 116.920 116.920 115.284 1.636 18518 7269 1 11 . 1 1 96 96 SER HA H 96 4.029 4.029 4.053 -0.024 18518 7270 1 11 . 1 1 96 96 SER C C 96 176.574 176.574 176.252 0.322 18518 7271 1 11 . 1 1 96 96 SER CA C 96 61.356 61.356 62.424 -1.068 18518 7272 1 11 . 1 1 96 96 SER CB C 96 61.723 61.723 62.917 -1.194 18518 7273 1 11 . 1 1 96 96 SER H H 96 8.335 8.335 8.589 -0.254 18518 7274 1 11 . 1 1 97 97 GLU N N 97 123.255 123.255 121.477 1.778 18518 7275 1 11 . 1 1 97 97 GLU HA H 97 4.278 4.278 4.215 0.063 18518 7276 1 11 . 1 1 97 97 GLU C C 97 179.716 179.716 179.124 0.592 18518 7277 1 11 . 1 1 97 97 GLU CA C 97 58.792 58.792 59.183 -0.391 18518 7278 1 11 . 1 1 97 97 GLU CB C 97 29.562 29.562 29.311 0.251 18518 7279 1 11 . 1 1 97 97 GLU H H 97 7.376 7.376 7.803 -0.427 18518 7280 1 11 . 1 1 98 98 VAL N N 98 121.137 121.137 121.009 0.128 18518 7281 1 11 . 1 1 98 98 VAL HA H 98 3.802 3.802 3.665 0.137 18518 7282 1 11 . 1 1 98 98 VAL C C 98 177.637 177.637 177.966 -0.329 18518 7283 1 11 . 1 1 98 98 VAL CA C 98 65.824 65.824 66.155 -0.331 18518 7284 1 11 . 1 1 98 98 VAL CB C 98 32.154 32.154 30.624 1.530 18518 7285 1 11 . 1 1 98 98 VAL H H 98 7.387 7.387 7.861 -0.474 18518 7286 1 11 . 1 1 99 99 TYR N N 99 118.927 118.927 121.659 -2.732 18518 7287 1 11 . 1 1 99 99 TYR HA H 99 3.990 3.990 3.969 0.022 18518 7288 1 11 . 1 1 99 99 TYR C C 99 176.081 176.081 177.236 -1.155 18518 7289 1 11 . 1 1 99 99 TYR CA C 99 62.223 62.223 62.394 -0.171 18518 7290 1 11 . 1 1 99 99 TYR CB C 99 38.982 38.982 38.576 0.406 18518 7291 1 11 . 1 1 99 99 TYR H H 99 9.048 9.048 8.580 0.468 18518 7292 1 11 . 1 1 100 100 GLU N N 100 113.894 113.894 116.492 -2.598 18518 7293 1 11 . 1 1 100 100 GLU HA H 100 3.846 3.846 3.929 -0.083 18518 7294 1 11 . 1 1 100 100 GLU C C 100 177.989 177.989 178.142 -0.153 18518 7295 1 11 . 1 1 100 100 GLU CA C 100 59.087 59.087 58.666 0.421 18518 7296 1 11 . 1 1 100 100 GLU CB C 100 29.382 29.382 28.965 0.417 18518 7297 1 11 . 1 1 100 100 GLU H H 100 7.422 7.422 8.207 -0.785 18518 7298 1 11 . 1 1 101 101 SER N N 101 108.991 108.991 114.082 -5.091 18518 7299 1 11 . 1 1 101 101 SER HA H 101 4.524 4.524 4.471 0.053 18518 7300 1 11 . 1 1 101 101 SER C C 101 176.628 176.628 175.557 1.071 18518 7301 1 11 . 1 1 101 101 SER CA C 101 60.349 60.349 60.353 -0.004 18518 7302 1 11 . 1 1 101 101 SER CB C 101 64.741 64.741 63.923 0.818 18518 7303 1 11 . 1 1 101 101 SER H H 101 7.424 7.424 7.781 -0.357 18518 7304 1 11 . 1 1 102 102 GLU N N 102 116.533 116.533 119.242 -2.709 18518 7305 1 11 . 1 1 102 102 GLU HA H 102 4.744 4.744 4.564 0.180 18518 7306 1 11 . 1 1 102 102 GLU C C 102 176.774 176.774 175.699 1.075 18518 7307 1 11 . 1 1 102 102 GLU CA C 102 55.581 55.581 56.139 -0.558 18518 7308 1 11 . 1 1 102 102 GLU CB C 102 30.697 30.697 31.282 -0.585 18518 7309 1 11 . 1 1 102 102 GLU H H 102 8.487 8.487 8.086 0.401 18518 7310 1 11 . 1 1 103 103 LYS N N 103 118.370 118.370 120.212 -1.842 18518 7311 1 11 . 1 1 103 103 LYS HA H 103 4.178 4.178 3.850 0.328 18518 7312 1 11 . 1 1 103 103 LYS C C 103 175.018 175.018 176.481 -1.463 18518 7313 1 11 . 1 1 103 103 LYS CA C 103 57.329 57.329 56.892 0.437 18518 7314 1 11 . 1 1 103 103 LYS CB C 103 32.186 32.186 31.838 0.348 18518 7315 1 11 . 1 1 103 103 LYS H H 103 7.831 7.831 7.598 0.233 18518 7316 1 11 . 1 1 104 104 ASP N N 104 123.500 123.500 124.942 -1.442 18518 7317 1 11 . 1 1 104 104 ASP HA H 104 4.755 4.755 4.752 0.003 18518 7318 1 11 . 1 1 104 104 ASP C C 104 177.383 177.383 178.004 -0.621 18518 7319 1 11 . 1 1 104 104 ASP CA C 104 53.846 53.846 53.638 0.208 18518 7320 1 11 . 1 1 104 104 ASP CB C 104 43.411 43.411 42.801 0.610 18518 7321 1 11 . 1 1 104 104 ASP H H 104 9.041 9.041 8.104 0.937 18518 7322 1 11 . 1 1 105 105 GLU N N 105 125.448 125.448 120.341 5.107 18518 7323 1 11 . 1 1 105 105 GLU HA H 105 4.180 4.180 4.066 0.114 18518 7324 1 11 . 1 1 105 105 GLU C C 105 177.519 177.519 176.617 0.902 18518 7325 1 11 . 1 1 105 105 GLU CA C 105 59.529 59.529 58.996 0.533 18518 7326 1 11 . 1 1 105 105 GLU CB C 105 30.044 30.044 29.542 0.502 18518 7327 1 11 . 1 1 105 105 GLU H H 105 8.906 8.906 8.878 0.028 18518 7328 1 11 . 1 1 106 106 ASP N N 106 118.824 118.824 117.842 0.982 18518 7329 1 11 . 1 1 106 106 ASP HA H 106 4.179 4.179 4.339 -0.160 18518 7330 1 11 . 1 1 106 106 ASP C C 106 176.223 176.223 176.726 -0.503 18518 7331 1 11 . 1 1 106 106 ASP CA C 106 54.756 54.756 54.352 0.404 18518 7332 1 11 . 1 1 106 106 ASP CB C 106 39.999 39.999 41.218 -1.219 18518 7333 1 11 . 1 1 106 106 ASP H H 106 10.036 10.036 8.121 1.915 18518 7334 1 11 . 1 1 107 107 GLY N N 107 105.866 105.866 106.815 -0.949 18518 7335 1 11 . 1 1 107 107 GLY C C 107 175.136 175.136 174.393 0.743 18518 7336 1 11 . 1 1 107 107 GLY CA C 107 45.222 45.222 45.091 0.131 18518 7337 1 11 . 1 1 107 107 GLY H H 107 8.001 8.001 7.794 0.207 18518 7338 1 11 . 1 1 108 108 PHE N N 108 123.820 123.820 123.211 0.609 18518 7339 1 11 . 1 1 108 108 PHE HA H 108 4.662 4.662 4.527 0.135 18518 7340 1 11 . 1 1 108 108 PHE C C 108 174.899 174.899 174.638 0.261 18518 7341 1 11 . 1 1 108 108 PHE CA C 108 60.238 60.238 59.142 1.096 18518 7342 1 11 . 1 1 108 108 PHE CB C 108 40.365 40.365 40.037 0.328 18518 7343 1 11 . 1 1 108 108 PHE H H 108 9.912 9.912 7.495 2.417 18518 7344 1 11 . 1 1 109 109 LEU N N 109 120.130 120.130 125.191 -5.061 18518 7345 1 11 . 1 1 109 109 LEU HA H 109 5.030 5.030 4.621 0.409 18518 7346 1 11 . 1 1 109 109 LEU C C 109 173.916 173.916 174.760 -0.844 18518 7347 1 11 . 1 1 109 109 LEU CA C 109 53.424 53.424 53.644 -0.220 18518 7348 1 11 . 1 1 109 109 LEU CB C 109 45.203 45.203 44.649 0.554 18518 7349 1 11 . 1 1 109 109 LEU H H 109 7.997 7.997 8.694 -0.697 18518 7350 1 11 . 1 1 110 110 TYR N N 110 126.579 126.579 126.270 0.309 18518 7351 1 11 . 1 1 110 110 TYR HA H 110 5.003 5.003 4.478 0.525 18518 7352 1 11 . 1 1 110 110 TYR C C 110 176.671 176.671 175.449 1.222 18518 7353 1 11 . 1 1 110 110 TYR CA C 110 59.058 59.058 58.744 0.314 18518 7354 1 11 . 1 1 110 110 TYR CB C 110 39.556 39.556 38.624 0.932 18518 7355 1 11 . 1 1 110 110 TYR H H 110 9.377 9.377 8.776 0.601 18518 7356 1 11 . 1 1 111 111 MET N N 111 119.240 119.240 121.138 -1.898 18518 7357 1 11 . 1 1 111 111 MET HA H 111 5.486 5.486 5.141 0.345 18518 7358 1 11 . 1 1 111 111 MET C C 111 175.695 175.695 174.815 0.880 18518 7359 1 11 . 1 1 111 111 MET CA C 111 54.124 54.124 54.846 -0.722 18518 7360 1 11 . 1 1 111 111 MET CB C 111 36.960 36.960 37.030 -0.070 18518 7361 1 11 . 1 1 111 111 MET H H 111 9.658 9.658 8.882 0.776 18518 7362 1 11 . 1 1 112 112 VAL N N 112 119.865 119.865 119.459 0.406 18518 7363 1 11 . 1 1 112 112 VAL HA H 112 5.963 5.963 5.401 0.562 18518 7364 1 11 . 1 1 112 112 VAL C C 112 175.058 175.058 174.437 0.621 18518 7365 1 11 . 1 1 112 112 VAL CA C 112 58.911 58.911 60.621 -1.710 18518 7366 1 11 . 1 1 112 112 VAL CB C 112 36.051 36.051 36.294 -0.243 18518 7367 1 11 . 1 1 112 112 VAL H H 112 8.794 8.794 9.008 -0.214 18518 7368 1 11 . 1 1 113 113 TYR N N 113 119.664 119.664 119.968 -0.304 18518 7369 1 11 . 1 1 113 113 TYR HA H 113 6.118 6.118 5.617 0.501 18518 7370 1 11 . 1 1 113 113 TYR C C 113 173.375 173.375 173.478 -0.103 18518 7371 1 11 . 1 1 113 113 TYR CA C 113 54.153 54.153 55.287 -1.134 18518 7372 1 11 . 1 1 113 113 TYR CB C 113 43.312 43.312 42.028 1.284 18518 7373 1 11 . 1 1 113 113 TYR H H 113 8.315 8.315 8.620 -0.305 18518 7374 1 11 . 1 1 114 114 ALA N N 114 119.763 119.763 122.025 -2.262 18518 7375 1 11 . 1 1 114 114 ALA HA H 114 4.800 4.800 5.003 -0.203 18518 7376 1 11 . 1 1 114 114 ALA C C 114 176.216 176.216 175.154 1.062 18518 7377 1 11 . 1 1 114 114 ALA CA C 114 51.132 51.132 51.929 -0.797 18518 7378 1 11 . 1 1 114 114 ALA CB C 114 24.596 24.596 22.431 2.165 18518 7379 1 11 . 1 1 114 114 ALA H H 114 8.465 8.465 9.020 -0.555 18518 7380 1 11 . 1 1 115 115 SER N N 115 114.763 114.763 115.623 -0.860 18518 7381 1 11 . 1 1 115 115 SER HA H 115 4.496 4.496 4.990 -0.494 18518 7382 1 11 . 1 1 115 115 SER C C 115 172.671 172.671 173.531 -0.860 18518 7383 1 11 . 1 1 115 115 SER CA C 115 58.651 58.651 57.414 1.237 18518 7384 1 11 . 1 1 115 115 SER CB C 115 63.526 63.526 62.275 1.251 18518 7385 1 11 . 1 1 115 115 SER H H 115 9.915 9.915 9.105 0.810 18518 7386 1 11 . 1 1 116 116 GLN N N 116 116.611 116.611 123.432 -6.821 18518 7387 1 11 . 1 1 116 116 GLN HA H 116 4.484 4.484 4.524 -0.040 18518 7388 1 11 . 1 1 116 116 GLN C C 116 172.733 172.733 173.761 -1.028 18518 7389 1 11 . 1 1 116 116 GLN CA C 116 53.926 53.926 56.015 -2.089 18518 7390 1 11 . 1 1 116 116 GLN CB C 116 32.358 32.358 30.792 1.566 18518 7391 1 11 . 1 1 116 116 GLN H H 116 7.219 7.219 8.280 -1.061 18518 7392 1 11 . 1 1 117 117 GLU N N 117 117.623 117.623 120.592 -2.969 18518 7393 1 11 . 1 1 117 117 GLU HA H 117 3.287 3.287 2.843 0.444 18518 7394 1 11 . 1 1 117 117 GLU C C 117 175.168 175.168 175.740 -0.572 18518 7395 1 11 . 1 1 117 117 GLU CA C 117 56.882 56.882 56.840 0.042 18518 7396 1 11 . 1 1 117 117 GLU CB C 117 30.522 30.522 29.400 1.122 18518 7397 1 11 . 1 1 117 117 GLU H H 117 7.882 7.882 8.376 -0.494 18518 7398 1 11 . 1 1 118 118 THR N N 118 109.820 109.820 111.201 -1.381 18518 7399 1 11 . 1 1 118 118 THR HA H 118 4.066 4.066 4.467 -0.401 18518 7400 1 11 . 1 1 118 118 THR C C 118 172.355 172.355 173.697 -1.342 18518 7401 1 11 . 1 1 118 118 THR CA C 118 60.029 60.029 61.119 -1.090 18518 7402 1 11 . 1 1 118 118 THR CB C 118 70.480 70.480 69.791 0.689 18518 7403 1 11 . 1 1 118 118 THR H H 118 6.992 6.992 7.486 -0.494 18518 7404 1 12 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.755 -0.419 18518 7405 1 12 . 1 1 2 2 ALA C C 2 177.974 177.974 176.184 1.790 18518 7406 1 12 . 1 1 2 2 ALA CA C 2 52.785 52.785 52.587 0.198 18518 7407 1 12 . 1 1 2 2 ALA CB C 2 19.444 19.444 19.110 0.334 18518 7408 1 12 . 1 1 3 3 MET N N 3 119.311 119.311 123.622 -4.311 18518 7409 1 12 . 1 1 3 3 MET HA H 3 4.451 4.451 4.611 -0.160 18518 7410 1 12 . 1 1 3 3 MET C C 3 176.913 176.913 175.286 1.627 18518 7411 1 12 . 1 1 3 3 MET CA C 3 55.679 55.679 54.920 0.759 18518 7412 1 12 . 1 1 3 3 MET CB C 3 32.590 32.590 34.283 -1.693 18518 7413 1 12 . 1 1 3 3 MET H H 3 8.638 8.638 8.303 0.335 18518 7414 1 12 . 1 1 4 4 GLY N N 4 110.281 110.281 111.997 -1.716 18518 7415 1 12 . 1 1 4 4 GLY C C 4 174.180 174.180 174.310 -0.130 18518 7416 1 12 . 1 1 4 4 GLY CA C 4 45.495 45.495 45.336 0.159 18518 7417 1 12 . 1 1 4 4 GLY H H 4 8.552 8.552 8.536 0.016 18518 7418 1 12 . 1 1 5 5 LYS N N 5 120.818 120.818 125.372 -4.554 18518 7419 1 12 . 1 1 5 5 LYS HA H 5 4.509 4.509 4.312 0.197 18518 7420 1 12 . 1 1 5 5 LYS C C 5 177.605 177.605 176.916 0.689 18518 7421 1 12 . 1 1 5 5 LYS CA C 5 56.134 56.134 56.546 -0.412 18518 7422 1 12 . 1 1 5 5 LYS CB C 5 34.813 34.813 32.983 1.830 18518 7423 1 12 . 1 1 5 5 LYS H H 5 8.133 8.133 8.340 -0.207 18518 7424 1 12 . 1 1 6 6 THR N N 6 114.781 114.781 113.937 0.844 18518 7425 1 12 . 1 1 6 6 THR HA H 6 4.421 4.421 4.518 -0.097 18518 7426 1 12 . 1 1 6 6 THR C C 6 175.524 175.524 176.002 -0.478 18518 7427 1 12 . 1 1 6 6 THR CA C 6 61.127 61.127 60.778 0.349 18518 7428 1 12 . 1 1 6 6 THR CB C 6 69.926 69.926 70.456 -0.530 18518 7429 1 12 . 1 1 6 6 THR H H 6 8.483 8.483 8.042 0.441 18518 7430 1 12 . 1 1 7 7 PHE N N 7 125.552 125.552 121.271 4.281 18518 7431 1 12 . 1 1 7 7 PHE HA H 7 4.005 4.005 4.153 -0.148 18518 7432 1 12 . 1 1 7 7 PHE C C 7 177.397 177.397 176.774 0.623 18518 7433 1 12 . 1 1 7 7 PHE CA C 7 63.393 63.393 60.831 2.562 18518 7434 1 12 . 1 1 7 7 PHE CB C 7 39.567 39.567 38.215 1.352 18518 7435 1 12 . 1 1 7 7 PHE H H 7 10.245 10.245 9.119 1.126 18518 7436 1 12 . 1 1 8 8 LYS N N 8 114.053 114.053 116.929 -2.876 18518 7437 1 12 . 1 1 8 8 LYS HA H 8 3.835 3.835 3.614 0.221 18518 7438 1 12 . 1 1 8 8 LYS C C 8 175.520 175.520 178.816 -3.296 18518 7439 1 12 . 1 1 8 8 LYS CA C 8 59.993 59.993 58.635 1.358 18518 7440 1 12 . 1 1 8 8 LYS CB C 8 33.689 33.689 31.259 2.430 18518 7441 1 12 . 1 1 8 8 LYS H H 8 8.775 8.775 7.382 1.393 18518 7442 1 12 . 1 1 9 9 GLN N N 9 113.516 113.516 118.446 -4.930 18518 7443 1 12 . 1 1 9 9 GLN HA H 9 4.149 4.149 4.132 0.017 18518 7444 1 12 . 1 1 9 9 GLN C C 9 177.615 177.615 178.118 -0.503 18518 7445 1 12 . 1 1 9 9 GLN CA C 9 56.819 56.819 58.187 -1.368 18518 7446 1 12 . 1 1 9 9 GLN CB C 9 30.019 30.019 28.703 1.316 18518 7447 1 12 . 1 1 9 9 GLN H H 9 7.355 7.355 7.438 -0.083 18518 7448 1 12 . 1 1 10 10 ARG N N 10 118.294 118.294 116.718 1.576 18518 7449 1 12 . 1 1 10 10 ARG HA H 10 4.302 4.302 4.261 0.041 18518 7450 1 12 . 1 1 10 10 ARG C C 10 179.380 179.380 176.166 3.214 18518 7451 1 12 . 1 1 10 10 ARG CA C 10 57.268 57.268 56.619 0.649 18518 7452 1 12 . 1 1 10 10 ARG CB C 10 31.642 31.642 30.651 0.991 18518 7453 1 12 . 1 1 10 10 ARG H H 10 7.936 7.936 7.796 0.140 18518 7454 1 12 . 1 1 11 11 ARG N N 11 121.137 121.137 119.360 1.777 18518 7455 1 12 . 1 1 11 11 ARG HA H 11 4.680 4.680 4.583 0.097 18518 7456 1 12 . 1 1 11 11 ARG CA C 11 53.453 53.453 54.325 -0.873 18518 7457 1 12 . 1 1 11 11 ARG CB C 11 32.938 32.938 31.619 1.319 18518 7458 1 12 . 1 1 11 11 ARG H H 11 7.390 7.390 7.216 0.174 18518 7459 1 12 . 1 1 12 12 THR N N 12 116.819 116.819 119.460 -2.641 18518 7460 1 12 . 1 1 12 12 THR HA H 12 4.359 4.359 4.292 0.067 18518 7461 1 12 . 1 1 12 12 THR C C 12 174.989 174.989 175.873 -0.884 18518 7462 1 12 . 1 1 12 12 THR CA C 12 61.748 61.748 62.679 -0.931 18518 7463 1 12 . 1 1 12 12 THR CB C 12 71.068 71.068 70.041 1.027 18518 7464 1 12 . 1 1 12 12 THR H H 12 8.953 8.953 8.593 0.360 18518 7465 1 12 . 1 1 13 13 PHE N N 13 123.200 123.200 122.925 0.275 18518 7466 1 12 . 1 1 13 13 PHE HA H 13 4.028 4.028 4.219 -0.191 18518 7467 1 12 . 1 1 13 13 PHE C C 13 176.029 176.029 177.059 -1.030 18518 7468 1 12 . 1 1 13 13 PHE CA C 13 62.864 62.864 62.557 0.307 18518 7469 1 12 . 1 1 13 13 PHE CB C 13 39.560 39.560 39.456 0.104 18518 7470 1 12 . 1 1 13 13 PHE H H 13 9.284 9.284 8.965 0.319 18518 7471 1 12 . 1 1 14 14 GLU N N 14 115.414 115.414 118.459 -3.045 18518 7472 1 12 . 1 1 14 14 GLU HA H 14 3.794 3.794 4.027 -0.233 18518 7473 1 12 . 1 1 14 14 GLU C C 14 180.081 180.081 179.143 0.938 18518 7474 1 12 . 1 1 14 14 GLU CA C 14 60.619 60.619 59.891 0.728 18518 7475 1 12 . 1 1 14 14 GLU CB C 14 28.852 28.852 28.700 0.152 18518 7476 1 12 . 1 1 14 14 GLU H H 14 8.973 8.973 8.762 0.211 18518 7477 1 12 . 1 1 15 15 GLN N N 15 119.276 119.276 118.855 0.421 18518 7478 1 12 . 1 1 15 15 GLN HA H 15 4.000 4.000 4.139 -0.139 18518 7479 1 12 . 1 1 15 15 GLN C C 15 177.978 177.978 178.683 -0.705 18518 7480 1 12 . 1 1 15 15 GLN CA C 15 58.835 58.835 58.572 0.263 18518 7481 1 12 . 1 1 15 15 GLN CB C 15 29.370 29.370 28.154 1.216 18518 7482 1 12 . 1 1 15 15 GLN H H 15 7.756 7.756 8.654 -0.898 18518 7483 1 12 . 1 1 16 16 ARG N N 16 121.336 121.336 120.541 0.795 18518 7484 1 12 . 1 1 16 16 ARG HA H 16 4.270 4.270 4.198 0.072 18518 7485 1 12 . 1 1 16 16 ARG C C 16 177.416 177.416 178.668 -1.252 18518 7486 1 12 . 1 1 16 16 ARG CA C 16 61.375 61.375 59.838 1.537 18518 7487 1 12 . 1 1 16 16 ARG CB C 16 30.605 30.605 30.177 0.428 18518 7488 1 12 . 1 1 16 16 ARG H H 16 8.645 8.645 7.989 0.655 18518 7489 1 12 . 1 1 17 17 VAL N N 17 117.630 117.630 120.450 -2.820 18518 7490 1 12 . 1 1 17 17 VAL HA H 17 3.857 3.857 3.622 0.235 18518 7491 1 12 . 1 1 17 17 VAL C C 17 179.748 179.748 177.246 2.502 18518 7492 1 12 . 1 1 17 17 VAL CA C 17 65.726 65.726 65.893 -0.167 18518 7493 1 12 . 1 1 17 17 VAL CB C 17 32.194 32.194 31.931 0.263 18518 7494 1 12 . 1 1 17 17 VAL H H 17 8.373 8.373 8.216 0.157 18518 7495 1 12 . 1 1 18 18 GLU N N 18 120.864 120.864 119.421 1.443 18518 7496 1 12 . 1 1 18 18 GLU HA H 18 4.302 4.302 3.947 0.355 18518 7497 1 12 . 1 1 18 18 GLU C C 18 177.728 177.728 178.614 -0.886 18518 7498 1 12 . 1 1 18 18 GLU CA C 18 58.486 58.486 60.099 -1.613 18518 7499 1 12 . 1 1 18 18 GLU CB C 18 29.382 29.382 29.420 -0.038 18518 7500 1 12 . 1 1 18 18 GLU H H 18 7.368 7.368 8.318 -0.950 18518 7501 1 12 . 1 1 19 19 ASP N N 19 121.425 121.425 120.351 1.074 18518 7502 1 12 . 1 1 19 19 ASP HA H 19 4.434 4.434 4.454 -0.019 18518 7503 1 12 . 1 1 19 19 ASP C C 19 179.978 179.978 178.921 1.057 18518 7504 1 12 . 1 1 19 19 ASP CA C 19 57.422 57.422 57.486 -0.064 18518 7505 1 12 . 1 1 19 19 ASP CB C 19 41.287 41.287 40.783 0.503 18518 7506 1 12 . 1 1 19 19 ASP H H 19 8.671 8.671 8.283 0.388 18518 7507 1 12 . 1 1 20 20 VAL N N 20 119.730 119.730 120.414 -0.684 18518 7508 1 12 . 1 1 20 20 VAL HA H 20 3.205 3.205 3.471 -0.266 18518 7509 1 12 . 1 1 20 20 VAL C C 20 176.284 176.284 176.820 -0.536 18518 7510 1 12 . 1 1 20 20 VAL CA C 20 66.315 66.315 65.477 0.838 18518 7511 1 12 . 1 1 20 20 VAL CB C 20 31.107 31.107 31.215 -0.108 18518 7512 1 12 . 1 1 20 20 VAL H H 20 7.999 7.999 8.016 -0.017 18518 7513 1 12 . 1 1 21 21 ARG N N 21 121.455 121.455 120.338 1.117 18518 7514 1 12 . 1 1 21 21 ARG HA H 21 3.814 3.814 3.889 -0.075 18518 7515 1 12 . 1 1 21 21 ARG C C 21 180.120 180.120 178.490 1.630 18518 7516 1 12 . 1 1 21 21 ARG CA C 21 59.830 59.830 58.859 0.971 18518 7517 1 12 . 1 1 21 21 ARG CB C 21 29.946 29.946 29.031 0.915 18518 7518 1 12 . 1 1 21 21 ARG H H 21 8.098 8.098 8.213 -0.115 18518 7519 1 12 . 1 1 22 22 LEU N N 22 117.826 117.826 120.907 -3.081 18518 7520 1 12 . 1 1 22 22 LEU HA H 22 4.049 4.049 3.993 0.056 18518 7521 1 12 . 1 1 22 22 LEU C C 22 180.115 180.115 178.538 1.577 18518 7522 1 12 . 1 1 22 22 LEU CA C 22 57.790 57.790 58.085 -0.295 18518 7523 1 12 . 1 1 22 22 LEU CB C 22 42.142 42.142 41.701 0.441 18518 7524 1 12 . 1 1 22 22 LEU H H 22 8.207 8.207 8.194 0.013 18518 7525 1 12 . 1 1 23 23 ILE N N 23 121.450 121.450 119.169 2.281 18518 7526 1 12 . 1 1 23 23 ILE HA H 23 4.013 4.013 3.715 0.298 18518 7527 1 12 . 1 1 23 23 ILE C C 23 178.149 178.149 177.576 0.573 18518 7528 1 12 . 1 1 23 23 ILE CA C 23 62.171 62.171 63.651 -1.480 18518 7529 1 12 . 1 1 23 23 ILE CB C 23 38.106 38.106 37.842 0.264 18518 7530 1 12 . 1 1 23 23 ILE H H 23 8.105 8.105 7.796 0.309 18518 7531 1 12 . 1 1 24 24 ARG N N 24 121.139 121.139 119.746 1.393 18518 7532 1 12 . 1 1 24 24 ARG HA H 24 3.987 3.987 4.068 -0.081 18518 7533 1 12 . 1 1 24 24 ARG C C 24 178.702 178.702 178.827 -0.125 18518 7534 1 12 . 1 1 24 24 ARG CA C 24 57.718 57.718 58.892 -1.174 18518 7535 1 12 . 1 1 24 24 ARG CB C 24 28.769 28.769 29.737 -0.968 18518 7536 1 12 . 1 1 24 24 ARG H H 24 8.601 8.601 8.227 0.374 18518 7537 1 12 . 1 1 25 25 GLU N N 25 118.054 118.054 118.586 -0.532 18518 7538 1 12 . 1 1 25 25 GLU HA H 25 4.026 4.026 4.106 -0.080 18518 7539 1 12 . 1 1 25 25 GLU C C 25 178.492 178.492 178.344 0.148 18518 7540 1 12 . 1 1 25 25 GLU CA C 25 58.780 58.780 58.613 0.167 18518 7541 1 12 . 1 1 25 25 GLU CB C 25 30.001 30.001 29.619 0.382 18518 7542 1 12 . 1 1 25 25 GLU H H 25 7.423 7.423 8.110 -0.687 18518 7543 1 12 . 1 1 26 26 GLN N N 26 116.350 116.350 116.460 -0.110 18518 7544 1 12 . 1 1 26 26 GLN HA H 26 3.936 3.936 4.051 -0.115 18518 7545 1 12 . 1 1 26 26 GLN C C 26 176.305 176.305 176.841 -0.536 18518 7546 1 12 . 1 1 26 26 GLN CA C 26 57.503 57.503 57.342 0.161 18518 7547 1 12 . 1 1 26 26 GLN CB C 26 30.207 30.207 29.571 0.636 18518 7548 1 12 . 1 1 26 26 GLN H H 26 7.524 7.524 7.757 -0.233 18518 7549 1 12 . 1 1 27 27 HIS N N 27 116.017 116.017 118.829 -2.812 18518 7550 1 12 . 1 1 27 27 HIS HA H 27 4.930 4.930 5.104 -0.174 18518 7551 1 12 . 1 1 27 27 HIS CA C 27 53.054 53.054 53.004 0.050 18518 7552 1 12 . 1 1 27 27 HIS CB C 27 30.747 30.747 29.753 0.994 18518 7553 1 12 . 1 1 27 27 HIS H H 27 8.284 8.284 8.167 0.117 18518 7554 1 12 . 1 1 28 28 PRO HA H 28 4.581 4.581 4.571 0.010 18518 7555 1 12 . 1 1 28 28 PRO CA C 28 64.919 64.919 64.430 0.489 18518 7556 1 12 . 1 1 28 28 PRO CB C 28 32.455 32.455 32.238 0.217 18518 7557 1 12 . 1 1 29 29 THR N N 29 107.011 107.011 107.702 -0.691 18518 7558 1 12 . 1 1 29 29 THR HA H 29 4.599 4.599 4.317 0.282 18518 7559 1 12 . 1 1 29 29 THR C C 29 172.884 172.884 173.819 -0.935 18518 7560 1 12 . 1 1 29 29 THR CA C 29 60.810 60.810 61.786 -0.976 18518 7561 1 12 . 1 1 29 29 THR CB C 29 68.531 68.531 68.415 0.116 18518 7562 1 12 . 1 1 29 29 THR H H 29 7.890 7.890 8.386 -0.496 18518 7563 1 12 . 1 1 30 30 LYS N N 30 117.679 117.679 121.241 -3.562 18518 7564 1 12 . 1 1 30 30 LYS HA H 30 4.858 4.858 4.933 -0.075 18518 7565 1 12 . 1 1 30 30 LYS C C 30 174.310 174.310 174.697 -0.387 18518 7566 1 12 . 1 1 30 30 LYS CA C 30 53.751 53.751 53.921 -0.170 18518 7567 1 12 . 1 1 30 30 LYS CB C 30 35.804 35.804 35.798 0.006 18518 7568 1 12 . 1 1 30 30 LYS H H 30 7.441 7.441 7.598 -0.157 18518 7569 1 12 . 1 1 31 31 ILE N N 31 122.849 122.849 123.402 -0.553 18518 7570 1 12 . 1 1 31 31 ILE HA H 31 4.105 4.105 4.131 -0.026 18518 7571 1 12 . 1 1 31 31 ILE CA C 31 54.801 54.801 58.168 -3.367 18518 7572 1 12 . 1 1 31 31 ILE CB C 31 38.265 38.265 39.106 -0.841 18518 7573 1 12 . 1 1 31 31 ILE H H 31 9.304 9.304 8.871 0.433 18518 7574 1 12 . 1 1 32 32 PRO HA H 32 5.159 5.159 5.002 0.157 18518 7575 1 12 . 1 1 32 32 PRO C C 32 174.164 174.164 175.659 -1.495 18518 7576 1 12 . 1 1 32 32 PRO CA C 32 61.503 61.503 62.164 -0.661 18518 7577 1 12 . 1 1 32 32 PRO CB C 32 31.145 31.145 31.105 0.040 18518 7578 1 12 . 1 1 33 33 VAL N N 33 125.606 125.606 125.617 -0.011 18518 7579 1 12 . 1 1 33 33 VAL HA H 33 5.213 5.213 5.115 0.098 18518 7580 1 12 . 1 1 33 33 VAL C C 33 173.654 173.654 173.766 -0.112 18518 7581 1 12 . 1 1 33 33 VAL CA C 33 60.044 60.044 58.945 1.099 18518 7582 1 12 . 1 1 33 33 VAL CB C 33 35.604 35.604 36.305 -0.701 18518 7583 1 12 . 1 1 33 33 VAL H H 33 9.424 9.424 8.497 0.927 18518 7584 1 12 . 1 1 34 34 ILE N N 34 128.241 128.241 126.931 1.310 18518 7585 1 12 . 1 1 34 34 ILE HA H 34 4.833 4.833 5.084 -0.251 18518 7586 1 12 . 1 1 34 34 ILE C C 34 175.605 175.605 175.274 0.331 18518 7587 1 12 . 1 1 34 34 ILE CA C 34 56.765 56.765 58.230 -1.465 18518 7588 1 12 . 1 1 34 34 ILE CB C 34 36.799 36.799 39.299 -2.500 18518 7589 1 12 . 1 1 34 34 ILE H H 34 8.721 8.721 8.984 -0.263 18518 7590 1 12 . 1 1 35 35 ILE N N 35 125.650 125.650 127.662 -2.012 18518 7591 1 12 . 1 1 35 35 ILE HA H 35 4.836 4.836 4.795 0.041 18518 7592 1 12 . 1 1 35 35 ILE C C 35 174.887 174.887 174.714 0.173 18518 7593 1 12 . 1 1 35 35 ILE CA C 35 60.945 60.945 58.953 1.992 18518 7594 1 12 . 1 1 35 35 ILE CB C 35 39.210 39.210 37.865 1.345 18518 7595 1 12 . 1 1 35 35 ILE H H 35 9.034 9.034 8.905 0.129 18518 7596 1 12 . 1 1 36 36 GLU N N 36 122.657 122.657 127.737 -5.080 18518 7597 1 12 . 1 1 36 36 GLU HA H 36 4.861 4.861 4.702 0.159 18518 7598 1 12 . 1 1 36 36 GLU C C 36 173.848 173.848 174.184 -0.336 18518 7599 1 12 . 1 1 36 36 GLU CA C 36 53.932 53.932 53.787 0.145 18518 7600 1 12 . 1 1 36 36 GLU CB C 36 35.282 35.282 34.469 0.813 18518 7601 1 12 . 1 1 36 36 GLU H H 36 8.303 8.303 8.692 -0.389 18518 7602 1 12 . 1 1 37 37 ARG N N 37 123.228 123.228 124.700 -1.472 18518 7603 1 12 . 1 1 37 37 ARG HA H 37 2.726 2.726 3.608 -0.882 18518 7604 1 12 . 1 1 37 37 ARG C C 37 176.359 176.359 175.698 0.661 18518 7605 1 12 . 1 1 37 37 ARG CA C 37 56.359 56.359 55.636 0.723 18518 7606 1 12 . 1 1 37 37 ARG CB C 37 31.341 31.341 31.069 0.272 18518 7607 1 12 . 1 1 37 37 ARG H H 37 8.856 8.856 8.426 0.430 18518 7608 1 12 . 1 1 38 38 TYR N N 38 128.981 128.981 127.738 1.243 18518 7609 1 12 . 1 1 38 38 TYR HA H 38 4.352 4.352 4.214 0.138 18518 7610 1 12 . 1 1 38 38 TYR C C 38 177.316 177.316 176.501 0.815 18518 7611 1 12 . 1 1 38 38 TYR CA C 38 57.712 57.712 58.345 -0.633 18518 7612 1 12 . 1 1 38 38 TYR CB C 38 39.472 39.472 40.075 -0.603 18518 7613 1 12 . 1 1 38 38 TYR H H 38 8.628 8.628 8.290 0.338 18518 7614 1 12 . 1 1 39 39 LYS N N 39 130.635 130.635 125.250 5.385 18518 7615 1 12 . 1 1 39 39 LYS HA H 39 3.822 3.822 3.869 -0.047 18518 7616 1 12 . 1 1 39 39 LYS CA C 39 58.887 58.887 58.082 0.805 18518 7617 1 12 . 1 1 39 39 LYS CB C 39 31.771 31.771 32.007 -0.236 18518 7618 1 12 . 1 1 39 39 LYS H H 39 8.594 8.594 7.977 0.617 18518 7619 1 12 . 1 1 40 40 GLY C C 40 173.447 173.447 173.440 0.007 18518 7620 1 12 . 1 1 40 40 GLY CA C 40 44.663 44.663 43.914 0.749 18518 7621 1 12 . 1 1 40 40 GLY H H 40 5.188 5.188 6.326 -1.138 18518 7622 1 12 . 1 1 41 41 GLU N N 41 122.836 122.836 120.428 2.408 18518 7623 1 12 . 1 1 41 41 GLU HA H 41 4.257 4.257 4.340 -0.083 18518 7624 1 12 . 1 1 41 41 GLU C C 41 176.524 176.524 175.896 0.628 18518 7625 1 12 . 1 1 41 41 GLU CA C 41 56.525 56.525 56.113 0.412 18518 7626 1 12 . 1 1 41 41 GLU CB C 41 30.985 30.985 29.735 1.250 18518 7627 1 12 . 1 1 41 41 GLU H H 41 7.380 7.380 7.410 -0.030 18518 7628 1 12 . 1 1 42 42 LYS N N 42 124.040 124.040 123.991 0.049 18518 7629 1 12 . 1 1 42 42 LYS HA H 42 4.675 4.675 4.520 0.155 18518 7630 1 12 . 1 1 42 42 LYS C C 42 177.538 177.538 177.257 0.281 18518 7631 1 12 . 1 1 42 42 LYS CA C 42 55.840 55.840 56.484 -0.645 18518 7632 1 12 . 1 1 42 42 LYS CB C 42 34.979 34.979 33.913 1.065 18518 7633 1 12 . 1 1 42 42 LYS H H 42 9.034 9.034 8.532 0.502 18518 7634 1 12 . 1 1 43 43 GLN N N 43 119.259 119.259 117.050 2.209 18518 7635 1 12 . 1 1 43 43 GLN HA H 43 4.542 4.542 4.321 0.221 18518 7636 1 12 . 1 1 43 43 GLN C C 43 177.336 177.336 176.014 1.322 18518 7637 1 12 . 1 1 43 43 GLN CA C 43 57.673 57.673 56.747 0.926 18518 7638 1 12 . 1 1 43 43 GLN CB C 43 30.782 30.782 30.298 0.484 18518 7639 1 12 . 1 1 43 43 GLN H H 43 8.435 8.435 8.732 -0.297 18518 7640 1 12 . 1 1 44 44 LEU N N 44 120.760 120.760 123.626 -2.866 18518 7641 1 12 . 1 1 44 44 LEU HA H 44 4.695 4.695 4.823 -0.128 18518 7642 1 12 . 1 1 44 44 LEU CA C 44 53.245 53.245 52.219 1.026 18518 7643 1 12 . 1 1 44 44 LEU CB C 44 43.596 43.596 41.684 1.912 18518 7644 1 12 . 1 1 44 44 LEU H H 44 9.126 9.126 8.336 0.790 18518 7645 1 12 . 1 1 45 45 PRO HA H 45 4.717 4.717 4.533 0.184 18518 7646 1 12 . 1 1 45 45 PRO C C 45 175.797 175.797 176.085 -0.288 18518 7647 1 12 . 1 1 45 45 PRO CA C 45 62.111 62.111 62.352 -0.241 18518 7648 1 12 . 1 1 45 45 PRO CB C 45 32.592 32.592 32.448 0.144 18518 7649 1 12 . 1 1 46 46 VAL N N 46 119.052 119.052 121.263 -2.211 18518 7650 1 12 . 1 1 46 46 VAL HA H 46 3.867 3.867 4.658 -0.791 18518 7651 1 12 . 1 1 46 46 VAL C C 46 175.640 175.640 176.309 -0.669 18518 7652 1 12 . 1 1 46 46 VAL CA C 46 62.944 62.944 61.463 1.481 18518 7653 1 12 . 1 1 46 46 VAL CB C 46 32.799 32.799 33.684 -0.885 18518 7654 1 12 . 1 1 46 46 VAL H H 46 8.543 8.543 8.203 0.340 18518 7655 1 12 . 1 1 47 47 LEU N N 47 130.203 130.203 126.839 3.364 18518 7656 1 12 . 1 1 47 47 LEU HA H 47 4.309 4.309 4.414 -0.105 18518 7657 1 12 . 1 1 47 47 LEU C C 47 176.198 176.198 177.344 -1.146 18518 7658 1 12 . 1 1 47 47 LEU CA C 47 55.006 55.006 55.310 -0.304 18518 7659 1 12 . 1 1 47 47 LEU CB C 47 43.832 43.832 42.438 1.394 18518 7660 1 12 . 1 1 47 47 LEU H H 47 7.799 7.799 8.557 -0.758 18518 7661 1 12 . 1 1 48 48 ASP N N 48 122.403 122.403 119.561 2.842 18518 7662 1 12 . 1 1 48 48 ASP HA H 48 4.263 4.263 4.582 -0.319 18518 7663 1 12 . 1 1 48 48 ASP C C 48 175.294 175.294 175.677 -0.383 18518 7664 1 12 . 1 1 48 48 ASP CA C 48 55.832 55.832 55.859 -0.027 18518 7665 1 12 . 1 1 48 48 ASP CB C 48 40.184 40.184 41.415 -1.231 18518 7666 1 12 . 1 1 48 48 ASP H H 48 8.780 8.780 8.523 0.257 18518 7667 1 12 . 1 1 49 49 LYS N N 49 119.569 119.569 117.746 1.823 18518 7668 1 12 . 1 1 49 49 LYS HA H 49 4.585 4.585 4.540 0.044 18518 7669 1 12 . 1 1 49 49 LYS C C 49 174.678 174.678 175.641 -0.963 18518 7670 1 12 . 1 1 49 49 LYS CA C 49 53.652 53.652 55.513 -1.861 18518 7671 1 12 . 1 1 49 49 LYS CB C 49 35.945 35.945 35.416 0.529 18518 7672 1 12 . 1 1 49 49 LYS H H 49 7.280 7.280 7.986 -0.706 18518 7673 1 12 . 1 1 50 50 THR N N 50 110.862 110.862 111.989 -1.127 18518 7674 1 12 . 1 1 50 50 THR HA H 50 4.811 4.811 4.649 0.162 18518 7675 1 12 . 1 1 50 50 THR C C 50 172.425 172.425 174.509 -2.084 18518 7676 1 12 . 1 1 50 50 THR CA C 50 62.645 62.645 62.873 -0.228 18518 7677 1 12 . 1 1 50 50 THR CB C 50 71.648 71.648 69.959 1.689 18518 7678 1 12 . 1 1 50 50 THR H H 50 8.042 8.042 8.202 -0.160 18518 7679 1 12 . 1 1 51 51 LYS N N 51 120.008 120.008 122.693 -2.685 18518 7680 1 12 . 1 1 51 51 LYS HA H 51 4.625 4.625 4.604 0.021 18518 7681 1 12 . 1 1 51 51 LYS C C 51 175.082 175.082 175.981 -0.899 18518 7682 1 12 . 1 1 51 51 LYS CA C 51 54.704 54.704 56.898 -2.194 18518 7683 1 12 . 1 1 51 51 LYS CB C 51 32.376 32.376 32.497 -0.121 18518 7684 1 12 . 1 1 51 51 LYS H H 51 7.119 7.119 7.814 -0.695 18518 7685 1 12 . 1 1 52 52 PHE N N 52 122.640 122.640 125.284 -2.644 18518 7686 1 12 . 1 1 52 52 PHE HA H 52 5.337 5.337 4.766 0.571 18518 7687 1 12 . 1 1 52 52 PHE C C 52 174.213 174.213 174.235 -0.022 18518 7688 1 12 . 1 1 52 52 PHE CA C 52 56.611 56.611 57.120 -0.509 18518 7689 1 12 . 1 1 52 52 PHE CB C 52 43.140 43.140 43.085 0.055 18518 7690 1 12 . 1 1 52 52 PHE H H 52 9.709 9.709 9.352 0.357 18518 7691 1 12 . 1 1 53 53 LEU N N 53 122.157 122.157 123.344 -1.187 18518 7692 1 12 . 1 1 53 53 LEU HA H 53 4.947 4.947 5.002 -0.055 18518 7693 1 12 . 1 1 53 53 LEU C C 53 175.769 175.769 175.106 0.663 18518 7694 1 12 . 1 1 53 53 LEU CA C 53 52.957 52.957 53.853 -0.896 18518 7695 1 12 . 1 1 53 53 LEU CB C 53 44.415 44.415 44.064 0.351 18518 7696 1 12 . 1 1 53 53 LEU H H 53 8.959 8.959 8.369 0.590 18518 7697 1 12 . 1 1 54 54 VAL N N 54 124.919 124.919 124.003 0.916 18518 7698 1 12 . 1 1 54 54 VAL HA H 54 4.559 4.559 4.546 0.013 18518 7699 1 12 . 1 1 54 54 VAL CA C 54 59.130 59.130 57.870 1.260 18518 7700 1 12 . 1 1 54 54 VAL CB C 54 34.968 34.968 33.264 1.704 18518 7701 1 12 . 1 1 54 54 VAL H H 54 8.922 8.922 8.466 0.456 18518 7702 1 12 . 1 1 55 55 PRO HA H 55 4.441 4.441 4.831 -0.390 18518 7703 1 12 . 1 1 55 55 PRO C C 55 176.594 176.594 178.164 -1.570 18518 7704 1 12 . 1 1 55 55 PRO CA C 55 64.315 64.315 62.197 2.118 18518 7705 1 12 . 1 1 55 55 PRO CB C 55 32.665 32.665 32.097 0.568 18518 7706 1 12 . 1 1 56 56 ASP N N 56 120.522 120.522 123.377 -2.855 18518 7707 1 12 . 1 1 56 56 ASP HA H 56 3.862 3.862 4.181 -0.319 18518 7708 1 12 . 1 1 56 56 ASP C C 56 175.809 175.809 176.241 -0.432 18518 7709 1 12 . 1 1 56 56 ASP CA C 56 56.749 56.749 56.645 0.104 18518 7710 1 12 . 1 1 56 56 ASP CB C 56 40.510 40.510 40.204 0.306 18518 7711 1 12 . 1 1 56 56 ASP H H 56 8.347 8.347 8.326 0.021 18518 7712 1 12 . 1 1 57 57 HIS N N 57 113.482 113.482 113.761 -0.279 18518 7713 1 12 . 1 1 57 57 HIS HA H 57 4.720 4.720 4.555 0.165 18518 7714 1 12 . 1 1 57 57 HIS C C 57 176.507 176.507 175.500 1.007 18518 7715 1 12 . 1 1 57 57 HIS CA C 57 55.589 55.589 56.130 -0.541 18518 7716 1 12 . 1 1 57 57 HIS CB C 57 30.643 30.643 29.828 0.815 18518 7717 1 12 . 1 1 57 57 HIS H H 57 7.557 7.557 8.115 -0.558 18518 7718 1 12 . 1 1 58 58 VAL N N 58 123.279 123.279 118.077 5.202 18518 7719 1 12 . 1 1 58 58 VAL HA H 58 3.836 3.836 4.517 -0.681 18518 7720 1 12 . 1 1 58 58 VAL C C 58 175.019 175.019 174.969 0.050 18518 7721 1 12 . 1 1 58 58 VAL CA C 58 62.823 62.823 60.242 2.581 18518 7722 1 12 . 1 1 58 58 VAL CB C 58 32.310 32.310 33.632 -1.322 18518 7723 1 12 . 1 1 58 58 VAL H H 58 7.345 7.345 7.467 -0.122 18518 7724 1 12 . 1 1 59 59 ASN N N 59 123.781 123.781 117.413 6.368 18518 7725 1 12 . 1 1 59 59 ASN HA H 59 5.126 5.126 5.006 0.120 18518 7726 1 12 . 1 1 59 59 ASN C C 59 176.558 176.558 176.493 0.065 18518 7727 1 12 . 1 1 59 59 ASN CA C 59 51.485 51.485 51.297 0.188 18518 7728 1 12 . 1 1 59 59 ASN CB C 59 40.107 40.107 40.936 -0.829 18518 7729 1 12 . 1 1 59 59 ASN H H 59 8.735 8.735 8.166 0.569 18518 7730 1 12 . 1 1 60 60 MET N N 60 117.453 117.453 118.450 -0.997 18518 7731 1 12 . 1 1 60 60 MET HA H 60 4.395 4.395 4.094 0.301 18518 7732 1 12 . 1 1 60 60 MET C C 60 178.144 178.144 178.271 -0.127 18518 7733 1 12 . 1 1 60 60 MET CA C 60 57.097 57.097 58.096 -0.999 18518 7734 1 12 . 1 1 60 60 MET CB C 60 30.140 30.140 31.335 -1.195 18518 7735 1 12 . 1 1 60 60 MET H H 60 8.227 8.227 8.318 -0.091 18518 7736 1 12 . 1 1 61 61 SER N N 61 114.216 114.216 115.423 -1.207 18518 7737 1 12 . 1 1 61 61 SER HA H 61 4.111 4.111 4.083 0.028 18518 7738 1 12 . 1 1 61 61 SER C C 61 177.335 177.335 177.075 0.260 18518 7739 1 12 . 1 1 61 61 SER CA C 61 61.590 61.590 62.423 -0.833 18518 7740 1 12 . 1 1 61 61 SER CB C 61 62.402 62.402 62.518 -0.116 18518 7741 1 12 . 1 1 61 61 SER H H 61 8.464 8.464 8.593 -0.129 18518 7742 1 12 . 1 1 62 62 GLU N N 62 123.004 123.004 121.302 1.702 18518 7743 1 12 . 1 1 62 62 GLU HA H 62 4.047 4.047 4.065 -0.018 18518 7744 1 12 . 1 1 62 62 GLU C C 62 178.686 178.686 178.852 -0.166 18518 7745 1 12 . 1 1 62 62 GLU CA C 62 58.625 58.625 59.106 -0.481 18518 7746 1 12 . 1 1 62 62 GLU CB C 62 29.654 29.654 29.396 0.258 18518 7747 1 12 . 1 1 62 62 GLU H H 62 7.994 7.994 7.582 0.412 18518 7748 1 12 . 1 1 63 63 LEU N N 63 120.818 120.818 121.658 -0.840 18518 7749 1 12 . 1 1 63 63 LEU HA H 63 3.965 3.965 3.979 -0.014 18518 7750 1 12 . 1 1 63 63 LEU C C 63 178.046 178.046 178.905 -0.859 18518 7751 1 12 . 1 1 63 63 LEU CA C 63 57.920 57.920 57.924 -0.004 18518 7752 1 12 . 1 1 63 63 LEU CB C 63 41.624 41.624 41.602 0.021 18518 7753 1 12 . 1 1 63 63 LEU H H 63 8.130 8.130 7.805 0.325 18518 7754 1 12 . 1 1 64 64 ILE N N 64 118.528 118.528 119.551 -1.023 18518 7755 1 12 . 1 1 64 64 ILE HA H 64 3.369 3.369 3.621 -0.252 18518 7756 1 12 . 1 1 64 64 ILE C C 64 177.127 177.127 177.678 -0.551 18518 7757 1 12 . 1 1 64 64 ILE CA C 64 66.678 66.678 66.126 0.552 18518 7758 1 12 . 1 1 64 64 ILE CB C 64 38.444 38.444 37.558 0.886 18518 7759 1 12 . 1 1 64 64 ILE H H 64 8.488 8.488 8.669 -0.181 18518 7760 1 12 . 1 1 65 65 LYS N N 65 118.336 118.336 120.768 -2.432 18518 7761 1 12 . 1 1 65 65 LYS HA H 65 3.701 3.701 4.016 -0.315 18518 7762 1 12 . 1 1 65 65 LYS C C 65 179.291 179.291 179.155 0.136 18518 7763 1 12 . 1 1 65 65 LYS CA C 65 60.440 60.440 59.947 0.493 18518 7764 1 12 . 1 1 65 65 LYS CB C 65 32.371 32.371 32.230 0.141 18518 7765 1 12 . 1 1 65 65 LYS H H 65 7.347 7.347 7.943 -0.596 18518 7766 1 12 . 1 1 66 66 ILE N N 66 120.171 120.171 120.683 -0.512 18518 7767 1 12 . 1 1 66 66 ILE HA H 66 3.578 3.578 3.702 -0.124 18518 7768 1 12 . 1 1 66 66 ILE C C 66 178.873 178.873 178.300 0.573 18518 7769 1 12 . 1 1 66 66 ILE CA C 66 65.160 65.160 65.245 -0.085 18518 7770 1 12 . 1 1 66 66 ILE CB C 66 38.633 38.633 37.949 0.684 18518 7771 1 12 . 1 1 66 66 ILE H H 66 7.901 7.901 8.251 -0.350 18518 7772 1 12 . 1 1 67 67 ILE N N 67 121.185 121.185 120.738 0.447 18518 7773 1 12 . 1 1 67 67 ILE HA H 67 3.446 3.446 3.571 -0.125 18518 7774 1 12 . 1 1 67 67 ILE C C 67 177.150 177.150 177.600 -0.450 18518 7775 1 12 . 1 1 67 67 ILE CA C 67 62.806 62.806 64.207 -1.401 18518 7776 1 12 . 1 1 67 67 ILE CB C 67 34.995 34.995 37.327 -2.332 18518 7777 1 12 . 1 1 67 67 ILE H H 67 8.290 8.290 8.339 -0.049 18518 7778 1 12 . 1 1 68 68 ARG N N 68 119.173 119.173 119.199 -0.026 18518 7779 1 12 . 1 1 68 68 ARG HA H 68 2.931 2.931 3.810 -0.879 18518 7780 1 12 . 1 1 68 68 ARG C C 68 178.496 178.496 178.680 -0.184 18518 7781 1 12 . 1 1 68 68 ARG CA C 68 60.636 60.636 59.929 0.707 18518 7782 1 12 . 1 1 68 68 ARG CB C 68 30.440 30.440 29.922 0.518 18518 7783 1 12 . 1 1 68 68 ARG H H 68 8.438 8.438 8.190 0.248 18518 7784 1 12 . 1 1 69 69 ARG N N 69 116.511 116.511 119.924 -3.413 18518 7785 1 12 . 1 1 69 69 ARG HA H 69 4.134 4.134 4.018 0.116 18518 7786 1 12 . 1 1 69 69 ARG C C 69 180.262 180.262 179.091 1.171 18518 7787 1 12 . 1 1 69 69 ARG CA C 69 58.707 58.707 59.182 -0.475 18518 7788 1 12 . 1 1 69 69 ARG CB C 69 29.953 29.953 30.051 -0.098 18518 7789 1 12 . 1 1 69 69 ARG H H 69 7.497 7.497 8.353 -0.856 18518 7790 1 12 . 1 1 70 70 ARG N N 70 123.297 123.297 119.596 3.701 18518 7791 1 12 . 1 1 70 70 ARG HA H 70 4.016 4.016 4.124 -0.108 18518 7792 1 12 . 1 1 70 70 ARG C C 70 178.700 178.700 178.251 0.449 18518 7793 1 12 . 1 1 70 70 ARG CA C 70 59.460 59.460 58.754 0.706 18518 7794 1 12 . 1 1 70 70 ARG CB C 70 30.312 30.312 29.699 0.613 18518 7795 1 12 . 1 1 70 70 ARG H H 70 8.075 8.075 7.928 0.147 18518 7796 1 12 . 1 1 71 71 LEU N N 71 116.829 116.829 118.122 -1.293 18518 7797 1 12 . 1 1 71 71 LEU HA H 71 4.065 4.065 4.366 -0.301 18518 7798 1 12 . 1 1 71 71 LEU C C 71 174.956 174.956 176.004 -1.048 18518 7799 1 12 . 1 1 71 71 LEU CA C 71 55.126 55.126 54.818 0.308 18518 7800 1 12 . 1 1 71 71 LEU CB C 71 43.246 43.246 42.106 1.140 18518 7801 1 12 . 1 1 71 71 LEU H H 71 7.719 7.719 7.750 -0.031 18518 7802 1 12 . 1 1 72 72 GLN N N 72 114.991 114.991 114.395 0.596 18518 7803 1 12 . 1 1 72 72 GLN HA H 72 3.836 3.836 3.843 -0.007 18518 7804 1 12 . 1 1 72 72 GLN C C 72 175.683 175.683 175.295 0.388 18518 7805 1 12 . 1 1 72 72 GLN CA C 72 56.325 56.325 56.343 -0.018 18518 7806 1 12 . 1 1 72 72 GLN CB C 72 26.004 26.004 25.897 0.107 18518 7807 1 12 . 1 1 72 72 GLN H H 72 7.744 7.744 7.542 0.202 18518 7808 1 12 . 1 1 73 73 LEU N N 73 115.045 115.045 119.377 -4.332 18518 7809 1 12 . 1 1 73 73 LEU HA H 73 4.236 4.236 4.037 0.199 18518 7810 1 12 . 1 1 73 73 LEU C C 73 178.762 178.762 177.283 1.479 18518 7811 1 12 . 1 1 73 73 LEU CA C 73 54.386 54.386 55.230 -0.844 18518 7812 1 12 . 1 1 73 73 LEU CB C 73 42.091 42.091 41.285 0.805 18518 7813 1 12 . 1 1 73 73 LEU H H 73 7.500 7.500 7.677 -0.177 18518 7814 1 12 . 1 1 74 74 ASN N N 74 121.700 121.700 123.723 -2.023 18518 7815 1 12 . 1 1 74 74 ASN HA H 74 4.690 4.690 4.489 0.201 18518 7816 1 12 . 1 1 74 74 ASN C C 74 176.617 176.617 175.997 0.620 18518 7817 1 12 . 1 1 74 74 ASN CA C 74 52.685 52.685 53.970 -1.285 18518 7818 1 12 . 1 1 74 74 ASN CB C 74 39.598 39.598 39.814 -0.216 18518 7819 1 12 . 1 1 74 74 ASN H H 74 9.045 9.045 8.582 0.463 18518 7820 1 12 . 1 1 75 75 ALA N N 75 123.952 123.952 122.771 1.181 18518 7821 1 12 . 1 1 75 75 ALA HA H 75 3.964 3.964 4.277 -0.313 18518 7822 1 12 . 1 1 75 75 ALA C C 75 178.131 178.131 177.652 0.479 18518 7823 1 12 . 1 1 75 75 ALA CA C 75 54.868 54.868 53.374 1.494 18518 7824 1 12 . 1 1 75 75 ALA CB C 75 18.718 18.718 19.400 -0.682 18518 7825 1 12 . 1 1 75 75 ALA H H 75 8.784 8.784 8.688 0.096 18518 7826 1 12 . 1 1 76 76 ASN N N 76 112.295 112.295 115.930 -3.635 18518 7827 1 12 . 1 1 76 76 ASN HA H 76 4.580 4.580 4.618 -0.038 18518 7828 1 12 . 1 1 76 76 ASN C C 76 175.448 175.448 175.346 0.102 18518 7829 1 12 . 1 1 76 76 ASN CA C 76 53.214 53.214 53.779 -0.565 18518 7830 1 12 . 1 1 76 76 ASN CB C 76 38.320 38.320 38.949 -0.629 18518 7831 1 12 . 1 1 76 76 ASN H H 76 8.391 8.391 8.108 0.283 18518 7832 1 12 . 1 1 77 77 GLN N N 77 120.577 120.577 118.892 1.685 18518 7833 1 12 . 1 1 77 77 GLN HA H 77 4.273 4.273 4.525 -0.252 18518 7834 1 12 . 1 1 77 77 GLN C C 77 175.045 175.045 174.151 0.894 18518 7835 1 12 . 1 1 77 77 GLN CA C 77 55.805 55.805 54.840 0.965 18518 7836 1 12 . 1 1 77 77 GLN CB C 77 30.157 30.157 30.258 -0.101 18518 7837 1 12 . 1 1 77 77 GLN H H 77 7.552 7.552 7.692 -0.140 18518 7838 1 12 . 1 1 78 78 ALA N N 78 130.670 130.670 126.200 4.470 18518 7839 1 12 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.527 -0.356 18518 7840 1 12 . 1 1 78 78 ALA C C 78 176.512 176.512 176.125 0.387 18518 7841 1 12 . 1 1 78 78 ALA CA C 78 52.842 52.842 51.282 1.560 18518 7842 1 12 . 1 1 78 78 ALA CB C 78 20.060 20.060 20.735 -0.675 18518 7843 1 12 . 1 1 78 78 ALA H H 78 8.799 8.799 8.362 0.437 18518 7844 1 12 . 1 1 79 79 PHE N N 79 119.325 119.325 116.803 2.522 18518 7845 1 12 . 1 1 79 79 PHE HA H 79 4.434 4.434 4.758 -0.324 18518 7846 1 12 . 1 1 79 79 PHE C C 79 171.726 171.726 172.677 -0.951 18518 7847 1 12 . 1 1 79 79 PHE CA C 79 59.145 59.145 57.139 2.006 18518 7848 1 12 . 1 1 79 79 PHE CB C 79 42.171 42.171 41.237 0.934 18518 7849 1 12 . 1 1 79 79 PHE H H 79 7.664 7.664 7.975 -0.311 18518 7850 1 12 . 1 1 80 80 PHE N N 80 126.314 126.314 117.727 8.587 18518 7851 1 12 . 1 1 80 80 PHE HA H 80 4.392 4.392 4.607 -0.215 18518 7852 1 12 . 1 1 80 80 PHE C C 80 177.169 177.169 173.797 3.372 18518 7853 1 12 . 1 1 80 80 PHE CA C 80 56.653 56.653 56.159 0.494 18518 7854 1 12 . 1 1 80 80 PHE CB C 80 41.933 41.933 43.552 -1.619 18518 7855 1 12 . 1 1 80 80 PHE H H 80 8.508 8.508 9.061 -0.553 18518 7856 1 12 . 1 1 81 81 LEU N N 81 121.426 121.426 122.888 -1.462 18518 7857 1 12 . 1 1 81 81 LEU HA H 81 4.851 4.851 5.287 -0.436 18518 7858 1 12 . 1 1 81 81 LEU C C 81 174.488 174.488 174.887 -0.399 18518 7859 1 12 . 1 1 81 81 LEU CA C 81 53.197 53.197 53.761 -0.564 18518 7860 1 12 . 1 1 81 81 LEU CB C 81 45.100 45.100 44.451 0.649 18518 7861 1 12 . 1 1 81 81 LEU H H 81 8.229 8.229 8.348 -0.119 18518 7862 1 12 . 1 1 82 82 LEU N N 82 125.155 125.155 126.903 -1.748 18518 7863 1 12 . 1 1 82 82 LEU HA H 82 4.833 4.833 4.608 0.225 18518 7864 1 12 . 1 1 82 82 LEU C C 82 177.166 177.166 175.173 1.993 18518 7865 1 12 . 1 1 82 82 LEU CA C 82 54.197 54.197 53.663 0.534 18518 7866 1 12 . 1 1 82 82 LEU CB C 82 43.442 43.442 44.826 -1.384 18518 7867 1 12 . 1 1 82 82 LEU H H 82 9.400 9.400 9.071 0.329 18518 7868 1 12 . 1 1 83 83 VAL N N 83 123.886 123.886 123.378 0.508 18518 7869 1 12 . 1 1 83 83 VAL HA H 83 4.379 4.379 4.319 0.060 18518 7870 1 12 . 1 1 83 83 VAL C C 83 175.810 175.810 176.889 -1.079 18518 7871 1 12 . 1 1 83 83 VAL CA C 83 61.677 61.677 62.448 -0.771 18518 7872 1 12 . 1 1 83 83 VAL CB C 83 33.758 33.758 31.689 2.069 18518 7873 1 12 . 1 1 83 83 VAL H H 83 8.721 8.721 8.311 0.410 18518 7874 1 12 . 1 1 84 84 ASN N N 84 126.474 126.474 125.607 0.867 18518 7875 1 12 . 1 1 84 84 ASN HA H 84 4.396 4.396 4.460 -0.064 18518 7876 1 12 . 1 1 84 84 ASN C C 84 175.164 175.164 175.264 -0.100 18518 7877 1 12 . 1 1 84 84 ASN CA C 84 54.738 54.738 55.323 -0.585 18518 7878 1 12 . 1 1 84 84 ASN CB C 84 37.950 37.950 38.287 -0.337 18518 7879 1 12 . 1 1 84 84 ASN H H 84 9.707 9.707 9.469 0.238 18518 7880 1 12 . 1 1 85 85 GLY N N 85 101.296 101.296 104.954 -3.658 18518 7881 1 12 . 1 1 85 85 GLY C C 85 173.680 173.680 173.133 0.547 18518 7882 1 12 . 1 1 85 85 GLY CA C 85 45.603 45.603 44.794 0.809 18518 7883 1 12 . 1 1 85 85 GLY H H 85 8.644 8.644 8.280 0.364 18518 7884 1 12 . 1 1 86 86 HIS N N 86 117.238 117.238 119.962 -2.724 18518 7885 1 12 . 1 1 86 86 HIS HA H 86 5.017 5.017 4.777 0.240 18518 7886 1 12 . 1 1 86 86 HIS C C 86 173.841 173.841 174.292 -0.451 18518 7887 1 12 . 1 1 86 86 HIS CA C 86 53.796 53.796 54.488 -0.692 18518 7888 1 12 . 1 1 86 86 HIS CB C 86 31.280 31.280 31.964 -0.684 18518 7889 1 12 . 1 1 86 86 HIS H H 86 7.918 7.918 8.354 -0.436 18518 7890 1 12 . 1 1 87 87 SER N N 87 118.179 118.179 121.395 -3.216 18518 7891 1 12 . 1 1 87 87 SER HA H 87 4.699 4.699 4.602 0.097 18518 7892 1 12 . 1 1 87 87 SER C C 87 175.904 175.904 174.356 1.548 18518 7893 1 12 . 1 1 87 87 SER CA C 87 58.271 58.271 58.274 -0.003 18518 7894 1 12 . 1 1 87 87 SER CB C 87 63.735 63.735 62.524 1.211 18518 7895 1 12 . 1 1 87 87 SER H H 87 8.977 8.977 8.780 0.197 18518 7896 1 12 . 1 1 88 88 MET N N 88 125.472 125.472 122.805 2.667 18518 7897 1 12 . 1 1 88 88 MET HA H 88 4.830 4.830 4.505 0.325 18518 7898 1 12 . 1 1 88 88 MET C C 88 176.419 176.419 176.753 -0.334 18518 7899 1 12 . 1 1 88 88 MET CA C 88 54.899 54.899 55.755 -0.856 18518 7900 1 12 . 1 1 88 88 MET CB C 88 33.336 33.336 32.516 0.820 18518 7901 1 12 . 1 1 88 88 MET H H 88 9.184 9.184 8.544 0.640 18518 7902 1 12 . 1 1 89 89 VAL N N 89 120.747 120.747 119.591 1.156 18518 7903 1 12 . 1 1 89 89 VAL HA H 89 4.232 4.232 4.161 0.071 18518 7904 1 12 . 1 1 89 89 VAL C C 89 175.958 175.958 175.231 0.727 18518 7905 1 12 . 1 1 89 89 VAL CA C 89 63.154 63.154 61.383 1.771 18518 7906 1 12 . 1 1 89 89 VAL CB C 89 31.878 31.878 33.335 -1.457 18518 7907 1 12 . 1 1 89 89 VAL H H 89 8.233 8.233 7.961 0.272 18518 7908 1 12 . 1 1 90 90 SER N N 90 117.362 117.362 117.030 0.332 18518 7909 1 12 . 1 1 90 90 SER HA H 90 4.590 4.590 4.807 -0.217 18518 7910 1 12 . 1 1 90 90 SER C C 90 175.741 175.741 175.764 -0.023 18518 7911 1 12 . 1 1 90 90 SER CA C 90 57.717 57.717 56.998 0.719 18518 7912 1 12 . 1 1 90 90 SER CB C 90 63.223 63.223 65.045 -1.822 18518 7913 1 12 . 1 1 90 90 SER H H 90 8.482 8.482 8.271 0.211 18518 7914 1 12 . 1 1 91 91 VAL N N 91 120.466 120.466 119.474 0.992 18518 7915 1 12 . 1 1 91 91 VAL HA H 91 4.047 4.047 3.907 0.140 18518 7916 1 12 . 1 1 91 91 VAL C C 91 176.329 176.329 176.367 -0.038 18518 7917 1 12 . 1 1 91 91 VAL CA C 91 63.492 63.492 64.439 -0.947 18518 7918 1 12 . 1 1 91 91 VAL CB C 91 32.568 32.568 31.669 0.898 18518 7919 1 12 . 1 1 91 91 VAL H H 91 8.188 8.188 8.612 -0.424 18518 7920 1 12 . 1 1 92 92 SER N N 92 116.398 116.398 115.731 0.667 18518 7921 1 12 . 1 1 92 92 SER HA H 92 4.636 4.636 4.406 0.230 18518 7922 1 12 . 1 1 92 92 SER C C 92 174.159 174.159 174.813 -0.654 18518 7923 1 12 . 1 1 92 92 SER CA C 92 57.805 57.805 59.157 -1.351 18518 7924 1 12 . 1 1 92 92 SER CB C 92 63.046 63.046 63.059 -0.014 18518 7925 1 12 . 1 1 92 92 SER H H 92 8.370 8.370 8.417 -0.047 18518 7926 1 12 . 1 1 93 93 THR N N 93 119.211 119.211 119.645 -0.434 18518 7927 1 12 . 1 1 93 93 THR HA H 93 4.484 4.484 4.654 -0.170 18518 7928 1 12 . 1 1 93 93 THR CA C 93 60.884 60.884 60.621 0.263 18518 7929 1 12 . 1 1 93 93 THR CB C 93 70.609 70.609 69.019 1.591 18518 7930 1 12 . 1 1 93 93 THR H H 93 7.416 7.416 7.460 -0.044 18518 7931 1 12 . 1 1 94 94 PRO HA H 94 4.440 4.440 4.558 -0.118 18518 7932 1 12 . 1 1 94 94 PRO C C 94 178.775 178.775 177.091 1.684 18518 7933 1 12 . 1 1 94 94 PRO CA C 94 62.943 62.943 62.354 0.589 18518 7934 1 12 . 1 1 94 94 PRO CB C 94 32.649 32.649 32.771 -0.122 18518 7935 1 12 . 1 1 95 95 ILE N N 95 124.174 124.174 122.998 1.176 18518 7936 1 12 . 1 1 95 95 ILE HA H 95 3.949 3.949 3.851 0.098 18518 7937 1 12 . 1 1 95 95 ILE C C 95 176.498 176.498 176.996 -0.498 18518 7938 1 12 . 1 1 95 95 ILE CA C 95 63.904 63.904 63.279 0.625 18518 7939 1 12 . 1 1 95 95 ILE CB C 95 38.182 38.182 38.220 -0.038 18518 7940 1 12 . 1 1 95 95 ILE H H 95 9.305 9.305 7.793 1.512 18518 7941 1 12 . 1 1 96 96 SER N N 96 116.920 116.920 116.749 0.171 18518 7942 1 12 . 1 1 96 96 SER HA H 96 4.029 4.029 4.075 -0.046 18518 7943 1 12 . 1 1 96 96 SER C C 96 176.574 176.574 176.258 0.316 18518 7944 1 12 . 1 1 96 96 SER CA C 96 61.356 61.356 61.978 -0.622 18518 7945 1 12 . 1 1 96 96 SER CB C 96 61.723 61.723 62.367 -0.644 18518 7946 1 12 . 1 1 96 96 SER H H 96 8.335 8.335 8.623 -0.288 18518 7947 1 12 . 1 1 97 97 GLU N N 97 123.255 123.255 122.978 0.277 18518 7948 1 12 . 1 1 97 97 GLU HA H 97 4.278 4.278 4.348 -0.070 18518 7949 1 12 . 1 1 97 97 GLU C C 97 179.716 179.716 178.887 0.829 18518 7950 1 12 . 1 1 97 97 GLU CA C 97 58.792 58.792 58.584 0.207 18518 7951 1 12 . 1 1 97 97 GLU CB C 97 29.562 29.562 29.196 0.366 18518 7952 1 12 . 1 1 97 97 GLU H H 97 7.376 7.376 7.997 -0.621 18518 7953 1 12 . 1 1 98 98 VAL N N 98 121.137 121.137 120.651 0.486 18518 7954 1 12 . 1 1 98 98 VAL HA H 98 3.802 3.802 3.685 0.117 18518 7955 1 12 . 1 1 98 98 VAL C C 98 177.637 177.637 177.981 -0.344 18518 7956 1 12 . 1 1 98 98 VAL CA C 98 65.824 65.824 66.552 -0.728 18518 7957 1 12 . 1 1 98 98 VAL CB C 98 32.154 32.154 31.256 0.898 18518 7958 1 12 . 1 1 98 98 VAL H H 98 7.387 7.387 7.813 -0.426 18518 7959 1 12 . 1 1 99 99 TYR N N 99 118.927 118.927 121.653 -2.726 18518 7960 1 12 . 1 1 99 99 TYR HA H 99 3.990 3.990 4.020 -0.030 18518 7961 1 12 . 1 1 99 99 TYR C C 99 176.081 176.081 176.963 -0.882 18518 7962 1 12 . 1 1 99 99 TYR CA C 99 62.223 62.223 61.551 0.672 18518 7963 1 12 . 1 1 99 99 TYR CB C 99 38.982 38.982 38.442 0.540 18518 7964 1 12 . 1 1 99 99 TYR H H 99 9.048 9.048 8.376 0.672 18518 7965 1 12 . 1 1 100 100 GLU N N 100 113.894 113.894 116.112 -2.218 18518 7966 1 12 . 1 1 100 100 GLU HA H 100 3.846 3.846 3.788 0.058 18518 7967 1 12 . 1 1 100 100 GLU C C 100 177.989 177.989 178.089 -0.100 18518 7968 1 12 . 1 1 100 100 GLU CA C 100 59.087 59.087 58.386 0.701 18518 7969 1 12 . 1 1 100 100 GLU CB C 100 29.382 29.382 28.956 0.426 18518 7970 1 12 . 1 1 100 100 GLU H H 100 7.422 7.422 8.047 -0.625 18518 7971 1 12 . 1 1 101 101 SER N N 101 108.991 108.991 113.480 -4.489 18518 7972 1 12 . 1 1 101 101 SER HA H 101 4.524 4.524 4.428 0.096 18518 7973 1 12 . 1 1 101 101 SER C C 101 176.628 176.628 175.342 1.286 18518 7974 1 12 . 1 1 101 101 SER CA C 101 60.349 60.349 59.681 0.668 18518 7975 1 12 . 1 1 101 101 SER CB C 101 64.741 64.741 64.103 0.638 18518 7976 1 12 . 1 1 101 101 SER H H 101 7.424 7.424 7.800 -0.376 18518 7977 1 12 . 1 1 102 102 GLU N N 102 116.533 116.533 119.294 -2.761 18518 7978 1 12 . 1 1 102 102 GLU HA H 102 4.744 4.744 4.597 0.147 18518 7979 1 12 . 1 1 102 102 GLU C C 102 176.774 176.774 175.449 1.325 18518 7980 1 12 . 1 1 102 102 GLU CA C 102 55.581 55.581 55.719 -0.138 18518 7981 1 12 . 1 1 102 102 GLU CB C 102 30.697 30.697 31.467 -0.770 18518 7982 1 12 . 1 1 102 102 GLU H H 102 8.487 8.487 7.799 0.688 18518 7983 1 12 . 1 1 103 103 LYS N N 103 118.370 118.370 120.387 -2.017 18518 7984 1 12 . 1 1 103 103 LYS HA H 103 4.178 4.178 3.938 0.240 18518 7985 1 12 . 1 1 103 103 LYS C C 103 175.018 175.018 176.687 -1.669 18518 7986 1 12 . 1 1 103 103 LYS CA C 103 57.329 57.329 56.728 0.601 18518 7987 1 12 . 1 1 103 103 LYS CB C 103 32.186 32.186 31.330 0.856 18518 7988 1 12 . 1 1 103 103 LYS H H 103 7.831 7.831 7.571 0.260 18518 7989 1 12 . 1 1 104 104 ASP N N 104 123.500 123.500 125.527 -2.027 18518 7990 1 12 . 1 1 104 104 ASP HA H 104 4.755 4.755 4.692 0.063 18518 7991 1 12 . 1 1 104 104 ASP C C 104 177.383 177.383 177.669 -0.286 18518 7992 1 12 . 1 1 104 104 ASP CA C 104 53.846 53.846 54.627 -0.781 18518 7993 1 12 . 1 1 104 104 ASP CB C 104 43.411 43.411 42.202 1.209 18518 7994 1 12 . 1 1 104 104 ASP H H 104 9.041 9.041 8.216 0.825 18518 7995 1 12 . 1 1 105 105 GLU N N 105 125.448 125.448 121.591 3.857 18518 7996 1 12 . 1 1 105 105 GLU HA H 105 4.180 4.180 4.108 0.072 18518 7997 1 12 . 1 1 105 105 GLU C C 105 177.519 177.519 176.608 0.911 18518 7998 1 12 . 1 1 105 105 GLU CA C 105 59.529 59.529 58.919 0.610 18518 7999 1 12 . 1 1 105 105 GLU CB C 105 30.044 30.044 29.662 0.382 18518 8000 1 12 . 1 1 105 105 GLU H H 105 8.906 8.906 8.923 -0.017 18518 8001 1 12 . 1 1 106 106 ASP N N 106 118.824 118.824 115.129 3.695 18518 8002 1 12 . 1 1 106 106 ASP HA H 106 4.179 4.179 4.620 -0.441 18518 8003 1 12 . 1 1 106 106 ASP C C 106 176.223 176.223 177.230 -1.007 18518 8004 1 12 . 1 1 106 106 ASP CA C 106 54.756 54.756 53.958 0.798 18518 8005 1 12 . 1 1 106 106 ASP CB C 106 39.999 39.999 40.528 -0.529 18518 8006 1 12 . 1 1 106 106 ASP H H 106 10.036 10.036 8.165 1.871 18518 8007 1 12 . 1 1 107 107 GLY N N 107 105.866 105.866 107.445 -1.579 18518 8008 1 12 . 1 1 107 107 GLY C C 107 175.136 175.136 173.750 1.386 18518 8009 1 12 . 1 1 107 107 GLY CA C 107 45.222 45.222 45.034 0.188 18518 8010 1 12 . 1 1 107 107 GLY H H 107 8.001 8.001 7.819 0.182 18518 8011 1 12 . 1 1 108 108 PHE N N 108 123.820 123.820 120.832 2.988 18518 8012 1 12 . 1 1 108 108 PHE HA H 108 4.662 4.662 5.188 -0.526 18518 8013 1 12 . 1 1 108 108 PHE C C 108 174.899 174.899 174.384 0.515 18518 8014 1 12 . 1 1 108 108 PHE CA C 108 60.238 60.238 58.512 1.726 18518 8015 1 12 . 1 1 108 108 PHE CB C 108 40.365 40.365 40.945 -0.580 18518 8016 1 12 . 1 1 108 108 PHE H H 108 9.912 9.912 8.201 1.711 18518 8017 1 12 . 1 1 109 109 LEU N N 109 120.130 120.130 121.292 -1.162 18518 8018 1 12 . 1 1 109 109 LEU HA H 109 5.030 5.030 4.736 0.294 18518 8019 1 12 . 1 1 109 109 LEU C C 109 173.916 173.916 174.623 -0.707 18518 8020 1 12 . 1 1 109 109 LEU CA C 109 53.424 53.424 53.624 -0.200 18518 8021 1 12 . 1 1 109 109 LEU CB C 109 45.203 45.203 44.922 0.281 18518 8022 1 12 . 1 1 109 109 LEU H H 109 7.997 7.997 8.456 -0.459 18518 8023 1 12 . 1 1 110 110 TYR N N 110 126.579 126.579 124.863 1.716 18518 8024 1 12 . 1 1 110 110 TYR HA H 110 5.003 5.003 4.750 0.253 18518 8025 1 12 . 1 1 110 110 TYR C C 110 176.671 176.671 174.873 1.798 18518 8026 1 12 . 1 1 110 110 TYR CA C 110 59.058 59.058 57.490 1.568 18518 8027 1 12 . 1 1 110 110 TYR CB C 110 39.556 39.556 39.777 -0.221 18518 8028 1 12 . 1 1 110 110 TYR H H 110 9.377 9.377 8.955 0.422 18518 8029 1 12 . 1 1 111 111 MET N N 111 119.240 119.240 121.842 -2.602 18518 8030 1 12 . 1 1 111 111 MET HA H 111 5.486 5.486 5.193 0.293 18518 8031 1 12 . 1 1 111 111 MET C C 111 175.695 175.695 174.814 0.881 18518 8032 1 12 . 1 1 111 111 MET CA C 111 54.124 54.124 54.605 -0.481 18518 8033 1 12 . 1 1 111 111 MET CB C 111 36.960 36.960 36.708 0.252 18518 8034 1 12 . 1 1 111 111 MET H H 111 9.658 9.658 9.112 0.546 18518 8035 1 12 . 1 1 112 112 VAL N N 112 119.865 119.865 116.030 3.835 18518 8036 1 12 . 1 1 112 112 VAL HA H 112 5.963 5.963 5.552 0.411 18518 8037 1 12 . 1 1 112 112 VAL C C 112 175.058 175.058 174.573 0.485 18518 8038 1 12 . 1 1 112 112 VAL CA C 112 58.911 58.911 59.110 -0.199 18518 8039 1 12 . 1 1 112 112 VAL CB C 112 36.051 36.051 35.214 0.837 18518 8040 1 12 . 1 1 112 112 VAL H H 112 8.794 8.794 9.148 -0.354 18518 8041 1 12 . 1 1 113 113 TYR N N 113 119.664 119.664 119.311 0.353 18518 8042 1 12 . 1 1 113 113 TYR HA H 113 6.118 6.118 5.795 0.323 18518 8043 1 12 . 1 1 113 113 TYR C C 113 173.375 173.375 173.549 -0.174 18518 8044 1 12 . 1 1 113 113 TYR CA C 113 54.153 54.153 55.379 -1.226 18518 8045 1 12 . 1 1 113 113 TYR CB C 113 43.312 43.312 41.692 1.620 18518 8046 1 12 . 1 1 113 113 TYR H H 113 8.315 8.315 8.415 -0.100 18518 8047 1 12 . 1 1 114 114 ALA N N 114 119.763 119.763 123.639 -3.876 18518 8048 1 12 . 1 1 114 114 ALA HA H 114 4.800 4.800 5.192 -0.392 18518 8049 1 12 . 1 1 114 114 ALA C C 114 176.216 176.216 175.400 0.816 18518 8050 1 12 . 1 1 114 114 ALA CA C 114 51.132 51.132 51.447 -0.315 18518 8051 1 12 . 1 1 114 114 ALA CB C 114 24.596 24.596 22.700 1.896 18518 8052 1 12 . 1 1 114 114 ALA H H 114 8.465 8.465 9.177 -0.712 18518 8053 1 12 . 1 1 115 115 SER N N 115 114.763 114.763 116.004 -1.241 18518 8054 1 12 . 1 1 115 115 SER HA H 115 4.496 4.496 4.917 -0.421 18518 8055 1 12 . 1 1 115 115 SER C C 115 172.671 172.671 173.761 -1.090 18518 8056 1 12 . 1 1 115 115 SER CA C 115 58.651 58.651 57.531 1.120 18518 8057 1 12 . 1 1 115 115 SER CB C 115 63.526 63.526 61.651 1.875 18518 8058 1 12 . 1 1 115 115 SER H H 115 9.915 9.915 8.965 0.950 18518 8059 1 12 . 1 1 116 116 GLN N N 116 116.611 116.611 124.361 -7.750 18518 8060 1 12 . 1 1 116 116 GLN HA H 116 4.484 4.484 4.548 -0.064 18518 8061 1 12 . 1 1 116 116 GLN C C 116 172.733 172.733 173.830 -1.097 18518 8062 1 12 . 1 1 116 116 GLN CA C 116 53.926 53.926 56.089 -2.163 18518 8063 1 12 . 1 1 116 116 GLN CB C 116 32.358 32.358 31.491 0.867 18518 8064 1 12 . 1 1 116 116 GLN H H 116 7.219 7.219 8.135 -0.916 18518 8065 1 12 . 1 1 117 117 GLU N N 117 117.623 117.623 120.181 -2.558 18518 8066 1 12 . 1 1 117 117 GLU HA H 117 3.287 3.287 2.819 0.468 18518 8067 1 12 . 1 1 117 117 GLU C C 117 175.168 175.168 175.062 0.106 18518 8068 1 12 . 1 1 117 117 GLU CA C 117 56.882 56.882 56.929 -0.047 18518 8069 1 12 . 1 1 117 117 GLU CB C 117 30.522 30.522 29.629 0.893 18518 8070 1 12 . 1 1 117 117 GLU H H 117 7.882 7.882 8.498 -0.616 18518 8071 1 12 . 1 1 118 118 THR N N 118 109.820 109.820 108.470 1.350 18518 8072 1 12 . 1 1 118 118 THR HA H 118 4.066 4.066 4.199 -0.133 18518 8073 1 12 . 1 1 118 118 THR C C 118 172.355 172.355 173.682 -1.327 18518 8074 1 12 . 1 1 118 118 THR CA C 118 60.029 60.029 60.638 -0.609 18518 8075 1 12 . 1 1 118 118 THR CB C 118 70.480 70.480 70.142 0.338 18518 8076 1 12 . 1 1 118 118 THR H H 118 6.992 6.992 7.238 -0.246 18518 8077 1 13 . 1 1 2 2 ALA HA H 2 4.336 4.336 5.227 -0.891 18518 8078 1 13 . 1 1 2 2 ALA C C 2 177.974 177.974 176.254 1.720 18518 8079 1 13 . 1 1 2 2 ALA CA C 2 52.785 52.785 51.557 1.228 18518 8080 1 13 . 1 1 2 2 ALA CB C 2 19.444 19.444 20.759 -1.315 18518 8081 1 13 . 1 1 3 3 MET N N 3 119.311 119.311 119.961 -0.650 18518 8082 1 13 . 1 1 3 3 MET HA H 3 4.451 4.451 4.720 -0.269 18518 8083 1 13 . 1 1 3 3 MET C C 3 176.913 176.913 175.875 1.038 18518 8084 1 13 . 1 1 3 3 MET CA C 3 55.679 55.679 54.949 0.730 18518 8085 1 13 . 1 1 3 3 MET CB C 3 32.590 32.590 35.856 -3.266 18518 8086 1 13 . 1 1 3 3 MET H H 3 8.638 8.638 8.629 0.009 18518 8087 1 13 . 1 1 4 4 GLY N N 4 110.281 110.281 110.131 0.150 18518 8088 1 13 . 1 1 4 4 GLY C C 4 174.180 174.180 174.200 -0.020 18518 8089 1 13 . 1 1 4 4 GLY CA C 4 45.495 45.495 44.918 0.577 18518 8090 1 13 . 1 1 4 4 GLY H H 4 8.552 8.552 8.597 -0.045 18518 8091 1 13 . 1 1 5 5 LYS N N 5 120.818 120.818 125.311 -4.493 18518 8092 1 13 . 1 1 5 5 LYS HA H 5 4.509 4.509 4.445 0.064 18518 8093 1 13 . 1 1 5 5 LYS C C 5 177.605 177.605 176.704 0.901 18518 8094 1 13 . 1 1 5 5 LYS CA C 5 56.134 56.134 55.094 1.040 18518 8095 1 13 . 1 1 5 5 LYS CB C 5 34.813 34.813 33.482 1.331 18518 8096 1 13 . 1 1 5 5 LYS H H 5 8.133 8.133 7.985 0.148 18518 8097 1 13 . 1 1 6 6 THR N N 6 114.781 114.781 116.585 -1.804 18518 8098 1 13 . 1 1 6 6 THR HA H 6 4.421 4.421 4.414 0.007 18518 8099 1 13 . 1 1 6 6 THR C C 6 175.524 175.524 176.174 -0.650 18518 8100 1 13 . 1 1 6 6 THR CA C 6 61.127 61.127 60.915 0.212 18518 8101 1 13 . 1 1 6 6 THR CB C 6 69.926 69.926 70.041 -0.115 18518 8102 1 13 . 1 1 6 6 THR H H 6 8.483 8.483 8.398 0.085 18518 8103 1 13 . 1 1 7 7 PHE N N 7 125.552 125.552 121.386 4.166 18518 8104 1 13 . 1 1 7 7 PHE HA H 7 4.005 4.005 4.223 -0.218 18518 8105 1 13 . 1 1 7 7 PHE C C 7 177.397 177.397 176.976 0.421 18518 8106 1 13 . 1 1 7 7 PHE CA C 7 63.393 63.393 60.278 3.115 18518 8107 1 13 . 1 1 7 7 PHE CB C 7 39.567 39.567 38.304 1.263 18518 8108 1 13 . 1 1 7 7 PHE H H 7 10.245 10.245 9.341 0.904 18518 8109 1 13 . 1 1 8 8 LYS N N 8 114.053 114.053 118.298 -4.245 18518 8110 1 13 . 1 1 8 8 LYS HA H 8 3.835 3.835 3.462 0.373 18518 8111 1 13 . 1 1 8 8 LYS C C 8 175.520 175.520 178.681 -3.161 18518 8112 1 13 . 1 1 8 8 LYS CA C 8 59.993 59.993 58.238 1.755 18518 8113 1 13 . 1 1 8 8 LYS CB C 8 33.689 33.689 31.662 2.027 18518 8114 1 13 . 1 1 8 8 LYS H H 8 8.775 8.775 6.212 2.563 18518 8115 1 13 . 1 1 9 9 GLN N N 9 113.516 113.516 117.414 -3.898 18518 8116 1 13 . 1 1 9 9 GLN HA H 9 4.149 4.149 4.170 -0.021 18518 8117 1 13 . 1 1 9 9 GLN C C 9 177.615 177.615 178.002 -0.387 18518 8118 1 13 . 1 1 9 9 GLN CA C 9 56.819 56.819 57.663 -0.844 18518 8119 1 13 . 1 1 9 9 GLN CB C 9 30.019 30.019 28.860 1.159 18518 8120 1 13 . 1 1 9 9 GLN H H 9 7.355 7.355 7.573 -0.218 18518 8121 1 13 . 1 1 10 10 ARG N N 10 118.294 118.294 118.717 -0.423 18518 8122 1 13 . 1 1 10 10 ARG HA H 10 4.302 4.302 4.202 0.100 18518 8123 1 13 . 1 1 10 10 ARG C C 10 179.380 179.380 176.846 2.534 18518 8124 1 13 . 1 1 10 10 ARG CA C 10 57.268 57.268 57.339 -0.071 18518 8125 1 13 . 1 1 10 10 ARG CB C 10 31.642 31.642 30.897 0.745 18518 8126 1 13 . 1 1 10 10 ARG H H 10 7.936 7.936 7.810 0.126 18518 8127 1 13 . 1 1 11 11 ARG N N 11 121.137 121.137 119.351 1.786 18518 8128 1 13 . 1 1 11 11 ARG HA H 11 4.680 4.680 4.743 -0.063 18518 8129 1 13 . 1 1 11 11 ARG CA C 11 53.453 53.453 53.643 -0.190 18518 8130 1 13 . 1 1 11 11 ARG CB C 11 32.938 32.938 32.068 0.870 18518 8131 1 13 . 1 1 11 11 ARG H H 11 7.390 7.390 7.632 -0.242 18518 8132 1 13 . 1 1 12 12 THR N N 12 116.819 116.819 118.984 -2.165 18518 8133 1 13 . 1 1 12 12 THR HA H 12 4.359 4.359 4.278 0.081 18518 8134 1 13 . 1 1 12 12 THR C C 12 174.989 174.989 176.160 -1.171 18518 8135 1 13 . 1 1 12 12 THR CA C 12 61.748 61.748 62.513 -0.765 18518 8136 1 13 . 1 1 12 12 THR CB C 12 71.068 71.068 70.052 1.016 18518 8137 1 13 . 1 1 12 12 THR H H 12 8.953 8.953 8.660 0.293 18518 8138 1 13 . 1 1 13 13 PHE N N 13 123.200 123.200 122.859 0.341 18518 8139 1 13 . 1 1 13 13 PHE HA H 13 4.028 4.028 4.217 -0.189 18518 8140 1 13 . 1 1 13 13 PHE C C 13 176.029 176.029 176.981 -0.952 18518 8141 1 13 . 1 1 13 13 PHE CA C 13 62.864 62.864 62.292 0.572 18518 8142 1 13 . 1 1 13 13 PHE CB C 13 39.560 39.560 39.296 0.264 18518 8143 1 13 . 1 1 13 13 PHE H H 13 9.284 9.284 8.919 0.365 18518 8144 1 13 . 1 1 14 14 GLU N N 14 115.414 115.414 117.950 -2.536 18518 8145 1 13 . 1 1 14 14 GLU HA H 14 3.794 3.794 3.765 0.029 18518 8146 1 13 . 1 1 14 14 GLU C C 14 180.081 180.081 178.726 1.355 18518 8147 1 13 . 1 1 14 14 GLU CA C 14 60.619 60.619 59.995 0.624 18518 8148 1 13 . 1 1 14 14 GLU CB C 14 28.852 28.852 28.815 0.037 18518 8149 1 13 . 1 1 14 14 GLU H H 14 8.973 8.973 8.799 0.174 18518 8150 1 13 . 1 1 15 15 GLN N N 15 119.276 119.276 117.902 1.374 18518 8151 1 13 . 1 1 15 15 GLN HA H 15 4.000 4.000 4.075 -0.075 18518 8152 1 13 . 1 1 15 15 GLN C C 15 177.978 177.978 178.821 -0.843 18518 8153 1 13 . 1 1 15 15 GLN CA C 15 58.835 58.835 59.368 -0.533 18518 8154 1 13 . 1 1 15 15 GLN CB C 15 29.370 29.370 28.232 1.138 18518 8155 1 13 . 1 1 15 15 GLN H H 15 7.756 7.756 8.544 -0.788 18518 8156 1 13 . 1 1 16 16 ARG N N 16 121.336 121.336 121.077 0.259 18518 8157 1 13 . 1 1 16 16 ARG HA H 16 4.270 4.270 4.144 0.126 18518 8158 1 13 . 1 1 16 16 ARG C C 16 177.416 177.416 178.417 -1.001 18518 8159 1 13 . 1 1 16 16 ARG CA C 16 61.375 61.375 59.939 1.436 18518 8160 1 13 . 1 1 16 16 ARG CB C 16 30.605 30.605 30.344 0.261 18518 8161 1 13 . 1 1 16 16 ARG H H 16 8.645 8.645 7.997 0.648 18518 8162 1 13 . 1 1 17 17 VAL N N 17 117.630 117.630 120.205 -2.575 18518 8163 1 13 . 1 1 17 17 VAL HA H 17 3.857 3.857 3.644 0.213 18518 8164 1 13 . 1 1 17 17 VAL C C 17 179.748 179.748 177.088 2.660 18518 8165 1 13 . 1 1 17 17 VAL CA C 17 65.726 65.726 65.659 0.067 18518 8166 1 13 . 1 1 17 17 VAL CB C 17 32.194 32.194 31.445 0.749 18518 8167 1 13 . 1 1 17 17 VAL H H 17 8.373 8.373 8.189 0.184 18518 8168 1 13 . 1 1 18 18 GLU N N 18 120.864 120.864 119.630 1.234 18518 8169 1 13 . 1 1 18 18 GLU HA H 18 4.302 4.302 3.894 0.408 18518 8170 1 13 . 1 1 18 18 GLU C C 18 177.728 177.728 178.032 -0.304 18518 8171 1 13 . 1 1 18 18 GLU CA C 18 58.486 58.486 59.910 -1.424 18518 8172 1 13 . 1 1 18 18 GLU CB C 18 29.382 29.382 29.295 0.087 18518 8173 1 13 . 1 1 18 18 GLU H H 18 7.368 7.368 8.298 -0.930 18518 8174 1 13 . 1 1 19 19 ASP N N 19 121.425 121.425 120.280 1.145 18518 8175 1 13 . 1 1 19 19 ASP HA H 19 4.434 4.434 4.355 0.079 18518 8176 1 13 . 1 1 19 19 ASP C C 19 179.978 179.978 178.394 1.584 18518 8177 1 13 . 1 1 19 19 ASP CA C 19 57.422 57.422 57.406 0.016 18518 8178 1 13 . 1 1 19 19 ASP CB C 19 41.287 41.287 41.074 0.213 18518 8179 1 13 . 1 1 19 19 ASP H H 19 8.671 8.671 7.891 0.780 18518 8180 1 13 . 1 1 20 20 VAL N N 20 119.730 119.730 120.240 -0.510 18518 8181 1 13 . 1 1 20 20 VAL HA H 20 3.205 3.205 3.305 -0.100 18518 8182 1 13 . 1 1 20 20 VAL C C 20 176.284 176.284 177.930 -1.646 18518 8183 1 13 . 1 1 20 20 VAL CA C 20 66.315 66.315 66.332 -0.017 18518 8184 1 13 . 1 1 20 20 VAL CB C 20 31.107 31.107 31.038 0.069 18518 8185 1 13 . 1 1 20 20 VAL H H 20 7.999 7.999 8.171 -0.172 18518 8186 1 13 . 1 1 21 21 ARG N N 21 121.455 121.455 119.483 1.972 18518 8187 1 13 . 1 1 21 21 ARG HA H 21 3.814 3.814 4.018 -0.204 18518 8188 1 13 . 1 1 21 21 ARG C C 21 180.120 180.120 178.917 1.203 18518 8189 1 13 . 1 1 21 21 ARG CA C 21 59.830 59.830 58.887 0.943 18518 8190 1 13 . 1 1 21 21 ARG CB C 21 29.946 29.946 29.013 0.933 18518 8191 1 13 . 1 1 21 21 ARG H H 21 8.098 8.098 7.773 0.325 18518 8192 1 13 . 1 1 22 22 LEU N N 22 117.826 117.826 120.903 -3.077 18518 8193 1 13 . 1 1 22 22 LEU HA H 22 4.049 4.049 3.925 0.124 18518 8194 1 13 . 1 1 22 22 LEU C C 22 180.115 180.115 179.246 0.869 18518 8195 1 13 . 1 1 22 22 LEU CA C 22 57.790 57.790 58.032 -0.242 18518 8196 1 13 . 1 1 22 22 LEU CB C 22 42.142 42.142 41.750 0.392 18518 8197 1 13 . 1 1 22 22 LEU H H 22 8.207 8.207 8.237 -0.030 18518 8198 1 13 . 1 1 23 23 ILE N N 23 121.450 121.450 119.187 2.263 18518 8199 1 13 . 1 1 23 23 ILE HA H 23 4.013 4.013 3.672 0.341 18518 8200 1 13 . 1 1 23 23 ILE C C 23 178.149 178.149 178.401 -0.252 18518 8201 1 13 . 1 1 23 23 ILE CA C 23 62.171 62.171 64.222 -2.051 18518 8202 1 13 . 1 1 23 23 ILE CB C 23 38.106 38.106 36.769 1.337 18518 8203 1 13 . 1 1 23 23 ILE H H 23 8.105 8.105 8.342 -0.237 18518 8204 1 13 . 1 1 24 24 ARG N N 24 121.139 121.139 119.546 1.593 18518 8205 1 13 . 1 1 24 24 ARG HA H 24 3.987 3.987 4.021 -0.034 18518 8206 1 13 . 1 1 24 24 ARG C C 24 178.702 178.702 178.928 -0.226 18518 8207 1 13 . 1 1 24 24 ARG CA C 24 57.718 57.718 59.647 -1.929 18518 8208 1 13 . 1 1 24 24 ARG CB C 24 28.769 28.769 30.002 -1.233 18518 8209 1 13 . 1 1 24 24 ARG H H 24 8.601 8.601 8.422 0.179 18518 8210 1 13 . 1 1 25 25 GLU N N 25 118.054 118.054 117.332 0.722 18518 8211 1 13 . 1 1 25 25 GLU HA H 25 4.026 4.026 4.170 -0.144 18518 8212 1 13 . 1 1 25 25 GLU C C 25 178.492 178.492 178.350 0.142 18518 8213 1 13 . 1 1 25 25 GLU CA C 25 58.780 58.780 57.978 0.802 18518 8214 1 13 . 1 1 25 25 GLU CB C 25 30.001 30.001 29.399 0.602 18518 8215 1 13 . 1 1 25 25 GLU H H 25 7.423 7.423 7.780 -0.357 18518 8216 1 13 . 1 1 26 26 GLN N N 26 116.350 116.350 116.647 -0.297 18518 8217 1 13 . 1 1 26 26 GLN HA H 26 3.936 3.936 4.036 -0.100 18518 8218 1 13 . 1 1 26 26 GLN C C 26 176.305 176.305 176.790 -0.485 18518 8219 1 13 . 1 1 26 26 GLN CA C 26 57.503 57.503 57.273 0.230 18518 8220 1 13 . 1 1 26 26 GLN CB C 26 30.207 30.207 29.442 0.765 18518 8221 1 13 . 1 1 26 26 GLN H H 26 7.524 7.524 7.948 -0.424 18518 8222 1 13 . 1 1 27 27 HIS N N 27 116.017 116.017 118.243 -2.226 18518 8223 1 13 . 1 1 27 27 HIS HA H 27 4.930 4.930 5.117 -0.187 18518 8224 1 13 . 1 1 27 27 HIS CA C 27 53.054 53.054 52.852 0.202 18518 8225 1 13 . 1 1 27 27 HIS CB C 27 30.747 30.747 30.875 -0.128 18518 8226 1 13 . 1 1 27 27 HIS H H 27 8.284 8.284 8.181 0.103 18518 8227 1 13 . 1 1 28 28 PRO HA H 28 4.581 4.581 4.629 -0.048 18518 8228 1 13 . 1 1 28 28 PRO CA C 28 64.919 64.919 64.510 0.409 18518 8229 1 13 . 1 1 28 28 PRO CB C 28 32.455 32.455 32.281 0.175 18518 8230 1 13 . 1 1 29 29 THR N N 29 107.011 107.011 106.387 0.624 18518 8231 1 13 . 1 1 29 29 THR HA H 29 4.599 4.599 4.385 0.214 18518 8232 1 13 . 1 1 29 29 THR C C 29 172.884 172.884 173.760 -0.876 18518 8233 1 13 . 1 1 29 29 THR CA C 29 60.810 60.810 61.670 -0.860 18518 8234 1 13 . 1 1 29 29 THR CB C 29 68.531 68.531 68.538 -0.007 18518 8235 1 13 . 1 1 29 29 THR H H 29 7.890 7.890 8.375 -0.485 18518 8236 1 13 . 1 1 30 30 LYS N N 30 117.679 117.679 121.450 -3.771 18518 8237 1 13 . 1 1 30 30 LYS HA H 30 4.858 4.858 5.030 -0.172 18518 8238 1 13 . 1 1 30 30 LYS C C 30 174.310 174.310 174.832 -0.522 18518 8239 1 13 . 1 1 30 30 LYS CA C 30 53.751 53.751 53.911 -0.161 18518 8240 1 13 . 1 1 30 30 LYS CB C 30 35.804 35.804 35.834 -0.030 18518 8241 1 13 . 1 1 30 30 LYS H H 30 7.441 7.441 7.669 -0.228 18518 8242 1 13 . 1 1 31 31 ILE N N 31 122.849 122.849 123.319 -0.470 18518 8243 1 13 . 1 1 31 31 ILE HA H 31 4.105 4.105 4.313 -0.208 18518 8244 1 13 . 1 1 31 31 ILE CA C 31 54.801 54.801 55.956 -1.155 18518 8245 1 13 . 1 1 31 31 ILE CB C 31 38.265 38.265 37.199 1.066 18518 8246 1 13 . 1 1 31 31 ILE H H 31 9.304 9.304 8.797 0.507 18518 8247 1 13 . 1 1 32 32 PRO HA H 32 5.159 5.159 4.632 0.527 18518 8248 1 13 . 1 1 32 32 PRO C C 32 174.164 174.164 175.684 -1.520 18518 8249 1 13 . 1 1 32 32 PRO CA C 32 61.503 61.503 62.192 -0.689 18518 8250 1 13 . 1 1 32 32 PRO CB C 32 31.145 31.145 31.008 0.137 18518 8251 1 13 . 1 1 33 33 VAL N N 33 125.606 125.606 125.358 0.248 18518 8252 1 13 . 1 1 33 33 VAL HA H 33 5.213 5.213 5.022 0.191 18518 8253 1 13 . 1 1 33 33 VAL C C 33 173.654 173.654 173.795 -0.141 18518 8254 1 13 . 1 1 33 33 VAL CA C 33 60.044 60.044 59.462 0.582 18518 8255 1 13 . 1 1 33 33 VAL CB C 33 35.604 35.604 36.428 -0.824 18518 8256 1 13 . 1 1 33 33 VAL H H 33 9.424 9.424 9.036 0.388 18518 8257 1 13 . 1 1 34 34 ILE N N 34 128.241 128.241 126.950 1.291 18518 8258 1 13 . 1 1 34 34 ILE HA H 34 4.833 4.833 4.809 0.024 18518 8259 1 13 . 1 1 34 34 ILE C C 34 175.605 175.605 174.785 0.820 18518 8260 1 13 . 1 1 34 34 ILE CA C 34 56.765 56.765 58.417 -1.652 18518 8261 1 13 . 1 1 34 34 ILE CB C 34 36.799 36.799 38.615 -1.816 18518 8262 1 13 . 1 1 34 34 ILE H H 34 8.721 8.721 8.653 0.068 18518 8263 1 13 . 1 1 35 35 ILE N N 35 125.650 125.650 127.798 -2.148 18518 8264 1 13 . 1 1 35 35 ILE HA H 35 4.836 4.836 4.566 0.270 18518 8265 1 13 . 1 1 35 35 ILE C C 35 174.887 174.887 174.387 0.500 18518 8266 1 13 . 1 1 35 35 ILE CA C 35 60.945 60.945 60.200 0.745 18518 8267 1 13 . 1 1 35 35 ILE CB C 35 39.210 39.210 39.116 0.094 18518 8268 1 13 . 1 1 35 35 ILE H H 35 9.034 9.034 8.977 0.057 18518 8269 1 13 . 1 1 36 36 GLU N N 36 122.657 122.657 127.630 -4.973 18518 8270 1 13 . 1 1 36 36 GLU HA H 36 4.861 4.861 4.844 0.017 18518 8271 1 13 . 1 1 36 36 GLU C C 36 173.848 173.848 174.612 -0.764 18518 8272 1 13 . 1 1 36 36 GLU CA C 36 53.932 53.932 53.982 -0.050 18518 8273 1 13 . 1 1 36 36 GLU CB C 36 35.282 35.282 34.036 1.246 18518 8274 1 13 . 1 1 36 36 GLU H H 36 8.303 8.303 8.652 -0.349 18518 8275 1 13 . 1 1 37 37 ARG N N 37 123.228 123.228 124.924 -1.696 18518 8276 1 13 . 1 1 37 37 ARG HA H 37 2.726 2.726 3.334 -0.608 18518 8277 1 13 . 1 1 37 37 ARG C C 37 176.359 176.359 175.628 0.731 18518 8278 1 13 . 1 1 37 37 ARG CA C 37 56.359 56.359 55.846 0.513 18518 8279 1 13 . 1 1 37 37 ARG CB C 37 31.341 31.341 30.993 0.348 18518 8280 1 13 . 1 1 37 37 ARG H H 37 8.856 8.856 8.450 0.406 18518 8281 1 13 . 1 1 38 38 TYR N N 38 128.981 128.981 127.762 1.219 18518 8282 1 13 . 1 1 38 38 TYR HA H 38 4.352 4.352 4.123 0.229 18518 8283 1 13 . 1 1 38 38 TYR C C 38 177.316 177.316 176.400 0.916 18518 8284 1 13 . 1 1 38 38 TYR CA C 38 57.712 57.712 58.550 -0.838 18518 8285 1 13 . 1 1 38 38 TYR CB C 38 39.472 39.472 39.965 -0.493 18518 8286 1 13 . 1 1 38 38 TYR H H 38 8.628 8.628 8.434 0.194 18518 8287 1 13 . 1 1 39 39 LYS N N 39 130.635 130.635 126.507 4.128 18518 8288 1 13 . 1 1 39 39 LYS HA H 39 3.822 3.822 3.795 0.027 18518 8289 1 13 . 1 1 39 39 LYS CA C 39 58.887 58.887 57.992 0.895 18518 8290 1 13 . 1 1 39 39 LYS CB C 39 31.771 31.771 31.924 -0.153 18518 8291 1 13 . 1 1 39 39 LYS H H 39 8.594 8.594 8.056 0.538 18518 8292 1 13 . 1 1 40 40 GLY C C 40 173.447 173.447 174.590 -1.143 18518 8293 1 13 . 1 1 40 40 GLY CA C 40 44.663 44.663 44.238 0.425 18518 8294 1 13 . 1 1 40 40 GLY H H 40 5.188 5.188 6.441 -1.253 18518 8295 1 13 . 1 1 41 41 GLU N N 41 122.836 122.836 121.237 1.599 18518 8296 1 13 . 1 1 41 41 GLU HA H 41 4.257 4.257 4.361 -0.104 18518 8297 1 13 . 1 1 41 41 GLU C C 41 176.524 176.524 175.925 0.599 18518 8298 1 13 . 1 1 41 41 GLU CA C 41 56.525 56.525 56.409 0.116 18518 8299 1 13 . 1 1 41 41 GLU CB C 41 30.985 30.985 30.402 0.583 18518 8300 1 13 . 1 1 41 41 GLU H H 41 7.380 7.380 7.651 -0.271 18518 8301 1 13 . 1 1 42 42 LYS N N 42 124.040 124.040 122.562 1.478 18518 8302 1 13 . 1 1 42 42 LYS HA H 42 4.675 4.675 4.490 0.185 18518 8303 1 13 . 1 1 42 42 LYS C C 42 177.538 177.538 177.432 0.106 18518 8304 1 13 . 1 1 42 42 LYS CA C 42 55.840 55.840 56.892 -1.052 18518 8305 1 13 . 1 1 42 42 LYS CB C 42 34.979 34.979 33.869 1.110 18518 8306 1 13 . 1 1 42 42 LYS H H 42 9.034 9.034 8.428 0.606 18518 8307 1 13 . 1 1 43 43 GLN N N 43 119.259 119.259 117.668 1.591 18518 8308 1 13 . 1 1 43 43 GLN HA H 43 4.542 4.542 4.304 0.238 18518 8309 1 13 . 1 1 43 43 GLN C C 43 177.336 177.336 176.252 1.084 18518 8310 1 13 . 1 1 43 43 GLN CA C 43 57.673 57.673 57.018 0.655 18518 8311 1 13 . 1 1 43 43 GLN CB C 43 30.782 30.782 30.012 0.770 18518 8312 1 13 . 1 1 43 43 GLN H H 43 8.435 8.435 8.455 -0.020 18518 8313 1 13 . 1 1 44 44 LEU N N 44 120.760 120.760 123.761 -3.001 18518 8314 1 13 . 1 1 44 44 LEU HA H 44 4.695 4.695 4.755 -0.060 18518 8315 1 13 . 1 1 44 44 LEU CA C 44 53.245 53.245 52.620 0.625 18518 8316 1 13 . 1 1 44 44 LEU CB C 44 43.596 43.596 41.606 1.990 18518 8317 1 13 . 1 1 44 44 LEU H H 44 9.126 9.126 8.392 0.734 18518 8318 1 13 . 1 1 45 45 PRO HA H 45 4.717 4.717 4.591 0.126 18518 8319 1 13 . 1 1 45 45 PRO C C 45 175.797 175.797 176.679 -0.882 18518 8320 1 13 . 1 1 45 45 PRO CA C 45 62.111 62.111 62.364 -0.253 18518 8321 1 13 . 1 1 45 45 PRO CB C 45 32.592 32.592 32.500 0.092 18518 8322 1 13 . 1 1 46 46 VAL N N 46 119.052 119.052 122.730 -3.678 18518 8323 1 13 . 1 1 46 46 VAL HA H 46 3.867 3.867 4.138 -0.271 18518 8324 1 13 . 1 1 46 46 VAL C C 46 175.640 175.640 175.711 -0.071 18518 8325 1 13 . 1 1 46 46 VAL CA C 46 62.944 62.944 61.841 1.103 18518 8326 1 13 . 1 1 46 46 VAL CB C 46 32.799 32.799 32.947 -0.148 18518 8327 1 13 . 1 1 46 46 VAL H H 46 8.543 8.543 8.100 0.443 18518 8328 1 13 . 1 1 47 47 LEU N N 47 130.203 130.203 124.624 5.579 18518 8329 1 13 . 1 1 47 47 LEU HA H 47 4.309 4.309 4.536 -0.227 18518 8330 1 13 . 1 1 47 47 LEU C C 47 176.198 176.198 177.545 -1.347 18518 8331 1 13 . 1 1 47 47 LEU CA C 47 55.006 55.006 55.476 -0.470 18518 8332 1 13 . 1 1 47 47 LEU CB C 47 43.832 43.832 42.597 1.235 18518 8333 1 13 . 1 1 47 47 LEU H H 47 7.799 7.799 8.653 -0.854 18518 8334 1 13 . 1 1 48 48 ASP N N 48 122.403 122.403 121.294 1.109 18518 8335 1 13 . 1 1 48 48 ASP HA H 48 4.263 4.263 4.485 -0.222 18518 8336 1 13 . 1 1 48 48 ASP C C 48 175.294 175.294 175.111 0.183 18518 8337 1 13 . 1 1 48 48 ASP CA C 48 55.832 55.832 55.693 0.139 18518 8338 1 13 . 1 1 48 48 ASP CB C 48 40.184 40.184 41.328 -1.144 18518 8339 1 13 . 1 1 48 48 ASP H H 48 8.780 8.780 8.835 -0.055 18518 8340 1 13 . 1 1 49 49 LYS N N 49 119.569 119.569 115.278 4.291 18518 8341 1 13 . 1 1 49 49 LYS HA H 49 4.585 4.585 4.568 0.017 18518 8342 1 13 . 1 1 49 49 LYS C C 49 174.678 174.678 175.061 -0.383 18518 8343 1 13 . 1 1 49 49 LYS CA C 49 53.652 53.652 55.608 -1.956 18518 8344 1 13 . 1 1 49 49 LYS CB C 49 35.945 35.945 33.788 2.157 18518 8345 1 13 . 1 1 49 49 LYS H H 49 7.280 7.280 7.740 -0.460 18518 8346 1 13 . 1 1 50 50 THR N N 50 110.862 110.862 109.502 1.360 18518 8347 1 13 . 1 1 50 50 THR HA H 50 4.811 4.811 4.829 -0.018 18518 8348 1 13 . 1 1 50 50 THR C C 50 172.425 172.425 174.572 -2.147 18518 8349 1 13 . 1 1 50 50 THR CA C 50 62.645 62.645 61.938 0.707 18518 8350 1 13 . 1 1 50 50 THR CB C 50 71.648 71.648 70.008 1.640 18518 8351 1 13 . 1 1 50 50 THR H H 50 8.042 8.042 8.330 -0.288 18518 8352 1 13 . 1 1 51 51 LYS N N 51 120.008 120.008 122.777 -2.769 18518 8353 1 13 . 1 1 51 51 LYS HA H 51 4.625 4.625 4.679 -0.054 18518 8354 1 13 . 1 1 51 51 LYS C C 51 175.082 175.082 175.799 -0.717 18518 8355 1 13 . 1 1 51 51 LYS CA C 51 54.704 54.704 56.714 -2.010 18518 8356 1 13 . 1 1 51 51 LYS CB C 51 32.376 32.376 33.164 -0.788 18518 8357 1 13 . 1 1 51 51 LYS H H 51 7.119 7.119 7.780 -0.661 18518 8358 1 13 . 1 1 52 52 PHE N N 52 122.640 122.640 124.640 -2.000 18518 8359 1 13 . 1 1 52 52 PHE HA H 52 5.337 5.337 4.784 0.553 18518 8360 1 13 . 1 1 52 52 PHE C C 52 174.213 174.213 173.807 0.406 18518 8361 1 13 . 1 1 52 52 PHE CA C 52 56.611 56.611 57.029 -0.418 18518 8362 1 13 . 1 1 52 52 PHE CB C 52 43.140 43.140 43.598 -0.458 18518 8363 1 13 . 1 1 52 52 PHE H H 52 9.709 9.709 9.282 0.427 18518 8364 1 13 . 1 1 53 53 LEU N N 53 122.157 122.157 122.547 -0.390 18518 8365 1 13 . 1 1 53 53 LEU HA H 53 4.947 4.947 5.302 -0.355 18518 8366 1 13 . 1 1 53 53 LEU C C 53 175.769 175.769 175.202 0.567 18518 8367 1 13 . 1 1 53 53 LEU CA C 53 52.957 52.957 53.508 -0.551 18518 8368 1 13 . 1 1 53 53 LEU CB C 53 44.415 44.415 45.744 -1.329 18518 8369 1 13 . 1 1 53 53 LEU H H 53 8.959 8.959 8.442 0.517 18518 8370 1 13 . 1 1 54 54 VAL N N 54 124.919 124.919 123.990 0.929 18518 8371 1 13 . 1 1 54 54 VAL HA H 54 4.559 4.559 4.675 -0.116 18518 8372 1 13 . 1 1 54 54 VAL CA C 54 59.130 59.130 58.131 0.999 18518 8373 1 13 . 1 1 54 54 VAL CB C 54 34.968 34.968 36.547 -1.579 18518 8374 1 13 . 1 1 54 54 VAL H H 54 8.922 8.922 8.490 0.432 18518 8375 1 13 . 1 1 55 55 PRO HA H 55 4.441 4.441 4.911 -0.470 18518 8376 1 13 . 1 1 55 55 PRO C C 55 176.594 176.594 177.946 -1.352 18518 8377 1 13 . 1 1 55 55 PRO CA C 55 64.315 64.315 62.358 1.957 18518 8378 1 13 . 1 1 55 55 PRO CB C 55 32.665 32.665 31.687 0.978 18518 8379 1 13 . 1 1 56 56 ASP N N 56 120.522 120.522 123.707 -3.185 18518 8380 1 13 . 1 1 56 56 ASP HA H 56 3.862 3.862 4.231 -0.369 18518 8381 1 13 . 1 1 56 56 ASP C C 56 175.809 175.809 176.611 -0.802 18518 8382 1 13 . 1 1 56 56 ASP CA C 56 56.749 56.749 57.698 -0.949 18518 8383 1 13 . 1 1 56 56 ASP CB C 56 40.510 40.510 40.601 -0.091 18518 8384 1 13 . 1 1 56 56 ASP H H 56 8.347 8.347 8.365 -0.018 18518 8385 1 13 . 1 1 57 57 HIS N N 57 113.482 113.482 113.855 -0.373 18518 8386 1 13 . 1 1 57 57 HIS HA H 57 4.720 4.720 4.756 -0.036 18518 8387 1 13 . 1 1 57 57 HIS C C 57 176.507 176.507 175.618 0.889 18518 8388 1 13 . 1 1 57 57 HIS CA C 57 55.589 55.589 55.472 0.117 18518 8389 1 13 . 1 1 57 57 HIS CB C 57 30.643 30.643 29.523 1.120 18518 8390 1 13 . 1 1 57 57 HIS H H 57 7.557 7.557 7.921 -0.364 18518 8391 1 13 . 1 1 58 58 VAL N N 58 123.279 123.279 121.920 1.359 18518 8392 1 13 . 1 1 58 58 VAL HA H 58 3.836 3.836 3.917 -0.081 18518 8393 1 13 . 1 1 58 58 VAL C C 58 175.019 175.019 175.115 -0.096 18518 8394 1 13 . 1 1 58 58 VAL CA C 58 62.823 62.823 62.163 0.660 18518 8395 1 13 . 1 1 58 58 VAL CB C 58 32.310 32.310 32.971 -0.661 18518 8396 1 13 . 1 1 58 58 VAL H H 58 7.345 7.345 7.405 -0.060 18518 8397 1 13 . 1 1 59 59 ASN N N 59 123.781 123.781 122.810 0.971 18518 8398 1 13 . 1 1 59 59 ASN HA H 59 5.126 5.126 5.022 0.104 18518 8399 1 13 . 1 1 59 59 ASN C C 59 176.558 176.558 176.433 0.125 18518 8400 1 13 . 1 1 59 59 ASN CA C 59 51.485 51.485 51.886 -0.401 18518 8401 1 13 . 1 1 59 59 ASN CB C 59 40.107 40.107 40.587 -0.480 18518 8402 1 13 . 1 1 59 59 ASN H H 59 8.735 8.735 8.276 0.459 18518 8403 1 13 . 1 1 60 60 MET N N 60 117.453 117.453 118.127 -0.674 18518 8404 1 13 . 1 1 60 60 MET HA H 60 4.395 4.395 4.194 0.201 18518 8405 1 13 . 1 1 60 60 MET C C 60 178.144 178.144 178.392 -0.248 18518 8406 1 13 . 1 1 60 60 MET CA C 60 57.097 57.097 56.753 0.344 18518 8407 1 13 . 1 1 60 60 MET CB C 60 30.140 30.140 31.005 -0.865 18518 8408 1 13 . 1 1 60 60 MET H H 60 8.227 8.227 8.255 -0.028 18518 8409 1 13 . 1 1 61 61 SER N N 61 114.216 114.216 115.595 -1.379 18518 8410 1 13 . 1 1 61 61 SER HA H 61 4.111 4.111 4.095 0.016 18518 8411 1 13 . 1 1 61 61 SER C C 61 177.335 177.335 176.758 0.577 18518 8412 1 13 . 1 1 61 61 SER CA C 61 61.590 61.590 62.550 -0.960 18518 8413 1 13 . 1 1 61 61 SER CB C 61 62.402 62.402 62.909 -0.507 18518 8414 1 13 . 1 1 61 61 SER H H 61 8.464 8.464 8.071 0.393 18518 8415 1 13 . 1 1 62 62 GLU N N 62 123.004 123.004 121.360 1.644 18518 8416 1 13 . 1 1 62 62 GLU HA H 62 4.047 4.047 4.067 -0.020 18518 8417 1 13 . 1 1 62 62 GLU C C 62 178.686 178.686 178.699 -0.013 18518 8418 1 13 . 1 1 62 62 GLU CA C 62 58.625 58.625 58.993 -0.368 18518 8419 1 13 . 1 1 62 62 GLU CB C 62 29.654 29.654 29.412 0.242 18518 8420 1 13 . 1 1 62 62 GLU H H 62 7.994 7.994 7.685 0.309 18518 8421 1 13 . 1 1 63 63 LEU N N 63 120.818 120.818 121.807 -0.989 18518 8422 1 13 . 1 1 63 63 LEU HA H 63 3.965 3.965 3.927 0.038 18518 8423 1 13 . 1 1 63 63 LEU C C 63 178.046 178.046 178.814 -0.768 18518 8424 1 13 . 1 1 63 63 LEU CA C 63 57.920 57.920 58.316 -0.397 18518 8425 1 13 . 1 1 63 63 LEU CB C 63 41.624 41.624 42.032 -0.408 18518 8426 1 13 . 1 1 63 63 LEU H H 63 8.130 8.130 7.803 0.327 18518 8427 1 13 . 1 1 64 64 ILE N N 64 118.528 118.528 118.730 -0.202 18518 8428 1 13 . 1 1 64 64 ILE HA H 64 3.369 3.369 3.586 -0.217 18518 8429 1 13 . 1 1 64 64 ILE C C 64 177.127 177.127 177.589 -0.462 18518 8430 1 13 . 1 1 64 64 ILE CA C 64 66.678 66.678 65.754 0.924 18518 8431 1 13 . 1 1 64 64 ILE CB C 64 38.444 38.444 37.780 0.664 18518 8432 1 13 . 1 1 64 64 ILE H H 64 8.488 8.488 8.444 0.044 18518 8433 1 13 . 1 1 65 65 LYS N N 65 118.336 118.336 120.845 -2.509 18518 8434 1 13 . 1 1 65 65 LYS HA H 65 3.701 3.701 3.964 -0.263 18518 8435 1 13 . 1 1 65 65 LYS C C 65 179.291 179.291 179.211 0.080 18518 8436 1 13 . 1 1 65 65 LYS CA C 65 60.440 60.440 59.979 0.461 18518 8437 1 13 . 1 1 65 65 LYS CB C 65 32.371 32.371 32.377 -0.006 18518 8438 1 13 . 1 1 65 65 LYS H H 65 7.347 7.347 7.745 -0.398 18518 8439 1 13 . 1 1 66 66 ILE N N 66 120.171 120.171 119.901 0.270 18518 8440 1 13 . 1 1 66 66 ILE HA H 66 3.578 3.578 3.718 -0.140 18518 8441 1 13 . 1 1 66 66 ILE C C 66 178.873 178.873 178.243 0.630 18518 8442 1 13 . 1 1 66 66 ILE CA C 66 65.160 65.160 65.224 -0.064 18518 8443 1 13 . 1 1 66 66 ILE CB C 66 38.633 38.633 37.788 0.845 18518 8444 1 13 . 1 1 66 66 ILE H H 66 7.901 7.901 8.412 -0.511 18518 8445 1 13 . 1 1 67 67 ILE N N 67 121.185 121.185 120.527 0.658 18518 8446 1 13 . 1 1 67 67 ILE HA H 67 3.446 3.446 3.591 -0.145 18518 8447 1 13 . 1 1 67 67 ILE C C 67 177.150 177.150 177.857 -0.707 18518 8448 1 13 . 1 1 67 67 ILE CA C 67 62.806 62.806 64.741 -1.935 18518 8449 1 13 . 1 1 67 67 ILE CB C 67 34.995 34.995 37.265 -2.270 18518 8450 1 13 . 1 1 67 67 ILE H H 67 8.290 8.290 7.833 0.457 18518 8451 1 13 . 1 1 68 68 ARG N N 68 119.173 119.173 118.775 0.398 18518 8452 1 13 . 1 1 68 68 ARG HA H 68 2.931 2.931 3.757 -0.826 18518 8453 1 13 . 1 1 68 68 ARG C C 68 178.496 178.496 178.622 -0.126 18518 8454 1 13 . 1 1 68 68 ARG CA C 68 60.636 60.636 59.580 1.056 18518 8455 1 13 . 1 1 68 68 ARG CB C 68 30.440 30.440 29.768 0.672 18518 8456 1 13 . 1 1 68 68 ARG H H 68 8.438 8.438 8.331 0.107 18518 8457 1 13 . 1 1 69 69 ARG N N 69 116.511 116.511 120.172 -3.661 18518 8458 1 13 . 1 1 69 69 ARG HA H 69 4.134 4.134 3.975 0.159 18518 8459 1 13 . 1 1 69 69 ARG C C 69 180.262 180.262 179.046 1.216 18518 8460 1 13 . 1 1 69 69 ARG CA C 69 58.707 58.707 59.627 -0.920 18518 8461 1 13 . 1 1 69 69 ARG CB C 69 29.953 29.953 30.221 -0.269 18518 8462 1 13 . 1 1 69 69 ARG H H 69 7.497 7.497 8.388 -0.891 18518 8463 1 13 . 1 1 70 70 ARG N N 70 123.297 123.297 119.462 3.835 18518 8464 1 13 . 1 1 70 70 ARG HA H 70 4.016 4.016 4.142 -0.126 18518 8465 1 13 . 1 1 70 70 ARG C C 70 178.700 178.700 178.233 0.467 18518 8466 1 13 . 1 1 70 70 ARG CA C 70 59.460 59.460 58.651 0.808 18518 8467 1 13 . 1 1 70 70 ARG CB C 70 30.312 30.312 29.620 0.692 18518 8468 1 13 . 1 1 70 70 ARG H H 70 8.075 8.075 7.953 0.122 18518 8469 1 13 . 1 1 71 71 LEU N N 71 116.829 116.829 118.494 -1.665 18518 8470 1 13 . 1 1 71 71 LEU HA H 71 4.065 4.065 4.192 -0.127 18518 8471 1 13 . 1 1 71 71 LEU C C 71 174.956 174.956 176.364 -1.408 18518 8472 1 13 . 1 1 71 71 LEU CA C 71 55.126 55.126 55.372 -0.246 18518 8473 1 13 . 1 1 71 71 LEU CB C 71 43.246 43.246 42.093 1.153 18518 8474 1 13 . 1 1 71 71 LEU H H 71 7.719 7.719 7.833 -0.114 18518 8475 1 13 . 1 1 72 72 GLN N N 72 114.991 114.991 113.867 1.124 18518 8476 1 13 . 1 1 72 72 GLN HA H 72 3.836 3.836 3.852 -0.016 18518 8477 1 13 . 1 1 72 72 GLN C C 72 175.683 175.683 175.320 0.363 18518 8478 1 13 . 1 1 72 72 GLN CA C 72 56.325 56.325 55.964 0.361 18518 8479 1 13 . 1 1 72 72 GLN CB C 72 26.004 26.004 25.921 0.083 18518 8480 1 13 . 1 1 72 72 GLN H H 72 7.744 7.744 7.595 0.149 18518 8481 1 13 . 1 1 73 73 LEU N N 73 115.045 115.045 119.232 -4.187 18518 8482 1 13 . 1 1 73 73 LEU HA H 73 4.236 4.236 4.062 0.174 18518 8483 1 13 . 1 1 73 73 LEU C C 73 178.762 178.762 177.406 1.356 18518 8484 1 13 . 1 1 73 73 LEU CA C 73 54.386 54.386 55.295 -0.909 18518 8485 1 13 . 1 1 73 73 LEU CB C 73 42.091 42.091 41.879 0.212 18518 8486 1 13 . 1 1 73 73 LEU H H 73 7.500 7.500 7.568 -0.068 18518 8487 1 13 . 1 1 74 74 ASN N N 74 121.700 121.700 122.071 -0.371 18518 8488 1 13 . 1 1 74 74 ASN HA H 74 4.690 4.690 4.613 0.077 18518 8489 1 13 . 1 1 74 74 ASN C C 74 176.617 176.617 175.572 1.045 18518 8490 1 13 . 1 1 74 74 ASN CA C 74 52.685 52.685 53.728 -1.043 18518 8491 1 13 . 1 1 74 74 ASN CB C 74 39.598 39.598 39.272 0.326 18518 8492 1 13 . 1 1 74 74 ASN H H 74 9.045 9.045 8.523 0.522 18518 8493 1 13 . 1 1 75 75 ALA N N 75 123.952 123.952 122.124 1.828 18518 8494 1 13 . 1 1 75 75 ALA HA H 75 3.964 3.964 4.332 -0.368 18518 8495 1 13 . 1 1 75 75 ALA C C 75 178.131 178.131 177.648 0.483 18518 8496 1 13 . 1 1 75 75 ALA CA C 75 54.868 54.868 53.568 1.300 18518 8497 1 13 . 1 1 75 75 ALA CB C 75 18.718 18.718 19.547 -0.828 18518 8498 1 13 . 1 1 75 75 ALA H H 75 8.784 8.784 8.475 0.309 18518 8499 1 13 . 1 1 76 76 ASN N N 76 112.295 112.295 115.817 -3.522 18518 8500 1 13 . 1 1 76 76 ASN HA H 76 4.580 4.580 4.671 -0.091 18518 8501 1 13 . 1 1 76 76 ASN C C 76 175.448 175.448 175.041 0.407 18518 8502 1 13 . 1 1 76 76 ASN CA C 76 53.214 53.214 53.632 -0.418 18518 8503 1 13 . 1 1 76 76 ASN CB C 76 38.320 38.320 38.537 -0.217 18518 8504 1 13 . 1 1 76 76 ASN H H 76 8.391 8.391 8.472 -0.081 18518 8505 1 13 . 1 1 77 77 GLN N N 77 120.577 120.577 118.692 1.885 18518 8506 1 13 . 1 1 77 77 GLN HA H 77 4.273 4.273 4.562 -0.289 18518 8507 1 13 . 1 1 77 77 GLN C C 77 175.045 175.045 173.656 1.389 18518 8508 1 13 . 1 1 77 77 GLN CA C 77 55.805 55.805 54.867 0.938 18518 8509 1 13 . 1 1 77 77 GLN CB C 77 30.157 30.157 31.208 -1.051 18518 8510 1 13 . 1 1 77 77 GLN H H 77 7.552 7.552 7.468 0.084 18518 8511 1 13 . 1 1 78 78 ALA N N 78 130.670 130.670 123.610 7.060 18518 8512 1 13 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.541 -0.370 18518 8513 1 13 . 1 1 78 78 ALA C C 78 176.512 176.512 175.825 0.687 18518 8514 1 13 . 1 1 78 78 ALA CA C 78 52.842 52.842 51.597 1.245 18518 8515 1 13 . 1 1 78 78 ALA CB C 78 20.060 20.060 20.816 -0.756 18518 8516 1 13 . 1 1 78 78 ALA H H 78 8.799 8.799 8.435 0.364 18518 8517 1 13 . 1 1 79 79 PHE N N 79 119.325 119.325 116.566 2.759 18518 8518 1 13 . 1 1 79 79 PHE HA H 79 4.434 4.434 4.763 -0.329 18518 8519 1 13 . 1 1 79 79 PHE C C 79 171.726 171.726 172.841 -1.115 18518 8520 1 13 . 1 1 79 79 PHE CA C 79 59.145 59.145 56.639 2.506 18518 8521 1 13 . 1 1 79 79 PHE CB C 79 42.171 42.171 41.086 1.085 18518 8522 1 13 . 1 1 79 79 PHE H H 79 7.664 7.664 7.922 -0.258 18518 8523 1 13 . 1 1 80 80 PHE N N 80 126.314 126.314 117.928 8.386 18518 8524 1 13 . 1 1 80 80 PHE HA H 80 4.392 4.392 4.413 -0.021 18518 8525 1 13 . 1 1 80 80 PHE C C 80 177.169 177.169 173.538 3.631 18518 8526 1 13 . 1 1 80 80 PHE CA C 80 56.653 56.653 56.570 0.083 18518 8527 1 13 . 1 1 80 80 PHE CB C 80 41.933 41.933 42.617 -0.685 18518 8528 1 13 . 1 1 80 80 PHE H H 80 8.508 8.508 9.121 -0.613 18518 8529 1 13 . 1 1 81 81 LEU N N 81 121.426 121.426 124.065 -2.639 18518 8530 1 13 . 1 1 81 81 LEU HA H 81 4.851 4.851 5.159 -0.308 18518 8531 1 13 . 1 1 81 81 LEU C C 81 174.488 174.488 175.023 -0.535 18518 8532 1 13 . 1 1 81 81 LEU CA C 81 53.197 53.197 54.214 -1.017 18518 8533 1 13 . 1 1 81 81 LEU CB C 81 45.100 45.100 43.617 1.483 18518 8534 1 13 . 1 1 81 81 LEU H H 81 8.229 8.229 8.515 -0.286 18518 8535 1 13 . 1 1 82 82 LEU N N 82 125.155 125.155 127.639 -2.484 18518 8536 1 13 . 1 1 82 82 LEU HA H 82 4.833 4.833 4.687 0.146 18518 8537 1 13 . 1 1 82 82 LEU C C 82 177.166 177.166 175.704 1.462 18518 8538 1 13 . 1 1 82 82 LEU CA C 82 54.197 54.197 52.420 1.777 18518 8539 1 13 . 1 1 82 82 LEU CB C 82 43.442 43.442 43.476 -0.034 18518 8540 1 13 . 1 1 82 82 LEU H H 82 9.400 9.400 9.128 0.272 18518 8541 1 13 . 1 1 83 83 VAL N N 83 123.886 123.886 122.603 1.283 18518 8542 1 13 . 1 1 83 83 VAL HA H 83 4.379 4.379 4.494 -0.115 18518 8543 1 13 . 1 1 83 83 VAL C C 83 175.810 175.810 176.933 -1.123 18518 8544 1 13 . 1 1 83 83 VAL CA C 83 61.677 61.677 61.923 -0.246 18518 8545 1 13 . 1 1 83 83 VAL CB C 83 33.758 33.758 32.334 1.424 18518 8546 1 13 . 1 1 83 83 VAL H H 83 8.721 8.721 8.678 0.043 18518 8547 1 13 . 1 1 84 84 ASN N N 84 126.474 126.474 128.533 -2.059 18518 8548 1 13 . 1 1 84 84 ASN HA H 84 4.396 4.396 4.392 0.004 18518 8549 1 13 . 1 1 84 84 ASN C C 84 175.164 175.164 175.030 0.134 18518 8550 1 13 . 1 1 84 84 ASN CA C 84 54.738 54.738 54.882 -0.144 18518 8551 1 13 . 1 1 84 84 ASN CB C 84 37.950 37.950 37.995 -0.045 18518 8552 1 13 . 1 1 84 84 ASN H H 84 9.707 9.707 9.256 0.451 18518 8553 1 13 . 1 1 85 85 GLY N N 85 101.296 101.296 104.800 -3.504 18518 8554 1 13 . 1 1 85 85 GLY C C 85 173.680 173.680 173.351 0.329 18518 8555 1 13 . 1 1 85 85 GLY CA C 85 45.603 45.603 44.790 0.813 18518 8556 1 13 . 1 1 85 85 GLY H H 85 8.644 8.644 8.329 0.315 18518 8557 1 13 . 1 1 86 86 HIS N N 86 117.238 117.238 119.282 -2.044 18518 8558 1 13 . 1 1 86 86 HIS HA H 86 5.017 5.017 5.008 0.009 18518 8559 1 13 . 1 1 86 86 HIS C C 86 173.841 173.841 174.289 -0.448 18518 8560 1 13 . 1 1 86 86 HIS CA C 86 53.796 53.796 54.297 -0.500 18518 8561 1 13 . 1 1 86 86 HIS CB C 86 31.280 31.280 32.846 -1.566 18518 8562 1 13 . 1 1 86 86 HIS H H 86 7.918 7.918 8.426 -0.508 18518 8563 1 13 . 1 1 87 87 SER N N 87 118.179 118.179 119.814 -1.635 18518 8564 1 13 . 1 1 87 87 SER HA H 87 4.699 4.699 4.467 0.232 18518 8565 1 13 . 1 1 87 87 SER C C 87 175.904 175.904 174.666 1.238 18518 8566 1 13 . 1 1 87 87 SER CA C 87 58.271 58.271 59.533 -1.262 18518 8567 1 13 . 1 1 87 87 SER CB C 87 63.735 63.735 62.852 0.882 18518 8568 1 13 . 1 1 87 87 SER H H 87 8.977 8.977 8.899 0.078 18518 8569 1 13 . 1 1 88 88 MET N N 88 125.472 125.472 122.879 2.593 18518 8570 1 13 . 1 1 88 88 MET HA H 88 4.830 4.830 4.707 0.123 18518 8571 1 13 . 1 1 88 88 MET C C 88 176.419 176.419 174.736 1.683 18518 8572 1 13 . 1 1 88 88 MET CA C 88 54.899 54.899 55.294 -0.395 18518 8573 1 13 . 1 1 88 88 MET CB C 88 33.336 33.336 33.496 -0.160 18518 8574 1 13 . 1 1 88 88 MET H H 88 9.184 9.184 8.343 0.841 18518 8575 1 13 . 1 1 89 89 VAL N N 89 120.747 120.747 118.761 1.986 18518 8576 1 13 . 1 1 89 89 VAL HA H 89 4.232 4.232 4.363 -0.131 18518 8577 1 13 . 1 1 89 89 VAL C C 89 175.958 175.958 174.329 1.629 18518 8578 1 13 . 1 1 89 89 VAL CA C 89 63.154 63.154 60.792 2.362 18518 8579 1 13 . 1 1 89 89 VAL CB C 89 31.878 31.878 34.441 -2.563 18518 8580 1 13 . 1 1 89 89 VAL H H 89 8.233 8.233 7.599 0.634 18518 8581 1 13 . 1 1 90 90 SER N N 90 117.362 117.362 118.584 -1.222 18518 8582 1 13 . 1 1 90 90 SER HA H 90 4.590 4.590 4.809 -0.219 18518 8583 1 13 . 1 1 90 90 SER C C 90 175.741 175.741 175.010 0.731 18518 8584 1 13 . 1 1 90 90 SER CA C 90 57.717 57.717 56.726 0.991 18518 8585 1 13 . 1 1 90 90 SER CB C 90 63.223 63.223 65.320 -2.097 18518 8586 1 13 . 1 1 90 90 SER H H 90 8.482 8.482 8.077 0.405 18518 8587 1 13 . 1 1 91 91 VAL N N 91 120.466 120.466 124.204 -3.738 18518 8588 1 13 . 1 1 91 91 VAL HA H 91 4.047 4.047 3.869 0.178 18518 8589 1 13 . 1 1 91 91 VAL C C 91 176.329 176.329 176.171 0.158 18518 8590 1 13 . 1 1 91 91 VAL CA C 91 63.492 63.492 64.469 -0.977 18518 8591 1 13 . 1 1 91 91 VAL CB C 91 32.568 32.568 31.738 0.830 18518 8592 1 13 . 1 1 91 91 VAL H H 91 8.188 8.188 8.781 -0.593 18518 8593 1 13 . 1 1 92 92 SER N N 92 116.398 116.398 112.295 4.103 18518 8594 1 13 . 1 1 92 92 SER HA H 92 4.636 4.636 4.627 0.009 18518 8595 1 13 . 1 1 92 92 SER C C 92 174.159 174.159 173.931 0.228 18518 8596 1 13 . 1 1 92 92 SER CA C 92 57.805 57.805 57.885 -0.080 18518 8597 1 13 . 1 1 92 92 SER CB C 92 63.046 63.046 63.679 -0.633 18518 8598 1 13 . 1 1 92 92 SER H H 92 8.370 8.370 8.133 0.237 18518 8599 1 13 . 1 1 93 93 THR N N 93 119.211 119.211 120.365 -1.154 18518 8600 1 13 . 1 1 93 93 THR HA H 93 4.484 4.484 4.635 -0.151 18518 8601 1 13 . 1 1 93 93 THR CA C 93 60.884 60.884 61.066 -0.182 18518 8602 1 13 . 1 1 93 93 THR CB C 93 70.609 70.609 68.830 1.779 18518 8603 1 13 . 1 1 93 93 THR H H 93 7.416 7.416 7.669 -0.253 18518 8604 1 13 . 1 1 94 94 PRO HA H 94 4.440 4.440 4.576 -0.136 18518 8605 1 13 . 1 1 94 94 PRO C C 94 178.775 178.775 177.358 1.417 18518 8606 1 13 . 1 1 94 94 PRO CA C 94 62.943 62.943 62.374 0.569 18518 8607 1 13 . 1 1 94 94 PRO CB C 94 32.649 32.649 32.462 0.187 18518 8608 1 13 . 1 1 95 95 ILE N N 95 124.174 124.174 123.436 0.738 18518 8609 1 13 . 1 1 95 95 ILE HA H 95 3.949 3.949 3.830 0.119 18518 8610 1 13 . 1 1 95 95 ILE C C 95 176.498 176.498 177.464 -0.966 18518 8611 1 13 . 1 1 95 95 ILE CA C 95 63.904 63.904 62.202 1.702 18518 8612 1 13 . 1 1 95 95 ILE CB C 95 38.182 38.182 37.972 0.210 18518 8613 1 13 . 1 1 95 95 ILE H H 95 9.305 9.305 8.537 0.768 18518 8614 1 13 . 1 1 96 96 SER N N 96 116.920 116.920 116.596 0.324 18518 8615 1 13 . 1 1 96 96 SER HA H 96 4.029 4.029 4.236 -0.207 18518 8616 1 13 . 1 1 96 96 SER C C 96 176.574 176.574 176.096 0.478 18518 8617 1 13 . 1 1 96 96 SER CA C 96 61.356 61.356 62.517 -1.161 18518 8618 1 13 . 1 1 96 96 SER CB C 96 61.723 61.723 62.929 -1.206 18518 8619 1 13 . 1 1 96 96 SER H H 96 8.335 8.335 7.919 0.416 18518 8620 1 13 . 1 1 97 97 GLU N N 97 123.255 123.255 121.174 2.081 18518 8621 1 13 . 1 1 97 97 GLU HA H 97 4.278 4.278 4.176 0.102 18518 8622 1 13 . 1 1 97 97 GLU C C 97 179.716 179.716 179.009 0.707 18518 8623 1 13 . 1 1 97 97 GLU CA C 97 58.792 58.792 58.941 -0.149 18518 8624 1 13 . 1 1 97 97 GLU CB C 97 29.562 29.562 29.286 0.276 18518 8625 1 13 . 1 1 97 97 GLU H H 97 7.376 7.376 7.803 -0.427 18518 8626 1 13 . 1 1 98 98 VAL N N 98 121.137 121.137 120.779 0.358 18518 8627 1 13 . 1 1 98 98 VAL HA H 98 3.802 3.802 3.704 0.098 18518 8628 1 13 . 1 1 98 98 VAL C C 98 177.637 177.637 177.967 -0.330 18518 8629 1 13 . 1 1 98 98 VAL CA C 98 65.824 65.824 66.662 -0.838 18518 8630 1 13 . 1 1 98 98 VAL CB C 98 32.154 32.154 31.168 0.986 18518 8631 1 13 . 1 1 98 98 VAL H H 98 7.387 7.387 7.889 -0.502 18518 8632 1 13 . 1 1 99 99 TYR N N 99 118.927 118.927 121.469 -2.542 18518 8633 1 13 . 1 1 99 99 TYR HA H 99 3.990 3.990 4.165 -0.175 18518 8634 1 13 . 1 1 99 99 TYR C C 99 176.081 176.081 177.372 -1.291 18518 8635 1 13 . 1 1 99 99 TYR CA C 99 62.223 62.223 60.109 2.114 18518 8636 1 13 . 1 1 99 99 TYR CB C 99 38.982 38.982 38.172 0.810 18518 8637 1 13 . 1 1 99 99 TYR H H 99 9.048 9.048 8.511 0.537 18518 8638 1 13 . 1 1 100 100 GLU N N 100 113.894 113.894 116.265 -2.371 18518 8639 1 13 . 1 1 100 100 GLU HA H 100 3.846 3.846 3.701 0.144 18518 8640 1 13 . 1 1 100 100 GLU C C 100 177.989 177.989 178.871 -0.882 18518 8641 1 13 . 1 1 100 100 GLU CA C 100 59.087 59.087 58.813 0.274 18518 8642 1 13 . 1 1 100 100 GLU CB C 100 29.382 29.382 28.727 0.655 18518 8643 1 13 . 1 1 100 100 GLU H H 100 7.422 7.422 8.284 -0.862 18518 8644 1 13 . 1 1 101 101 SER N N 101 108.991 108.991 116.008 -7.017 18518 8645 1 13 . 1 1 101 101 SER HA H 101 4.524 4.524 4.370 0.154 18518 8646 1 13 . 1 1 101 101 SER C C 101 176.628 176.628 175.907 0.721 18518 8647 1 13 . 1 1 101 101 SER CA C 101 60.349 60.349 60.915 -0.566 18518 8648 1 13 . 1 1 101 101 SER CB C 101 64.741 64.741 63.464 1.277 18518 8649 1 13 . 1 1 101 101 SER H H 101 7.424 7.424 7.899 -0.475 18518 8650 1 13 . 1 1 102 102 GLU N N 102 116.533 116.533 118.975 -2.442 18518 8651 1 13 . 1 1 102 102 GLU HA H 102 4.744 4.744 4.521 0.223 18518 8652 1 13 . 1 1 102 102 GLU C C 102 176.774 176.774 176.468 0.306 18518 8653 1 13 . 1 1 102 102 GLU CA C 102 55.581 55.581 55.517 0.064 18518 8654 1 13 . 1 1 102 102 GLU CB C 102 30.697 30.697 30.509 0.188 18518 8655 1 13 . 1 1 102 102 GLU H H 102 8.487 8.487 7.948 0.539 18518 8656 1 13 . 1 1 103 103 LYS N N 103 118.370 118.370 121.167 -2.797 18518 8657 1 13 . 1 1 103 103 LYS HA H 103 4.178 4.178 4.123 0.055 18518 8658 1 13 . 1 1 103 103 LYS C C 103 175.018 175.018 176.823 -1.805 18518 8659 1 13 . 1 1 103 103 LYS CA C 103 57.329 57.329 57.179 0.150 18518 8660 1 13 . 1 1 103 103 LYS CB C 103 32.186 32.186 32.218 -0.032 18518 8661 1 13 . 1 1 103 103 LYS H H 103 7.831 7.831 7.920 -0.089 18518 8662 1 13 . 1 1 104 104 ASP N N 104 123.500 123.500 124.064 -0.564 18518 8663 1 13 . 1 1 104 104 ASP HA H 104 4.755 4.755 4.726 0.029 18518 8664 1 13 . 1 1 104 104 ASP C C 104 177.383 177.383 177.352 0.031 18518 8665 1 13 . 1 1 104 104 ASP CA C 104 53.846 53.846 54.187 -0.341 18518 8666 1 13 . 1 1 104 104 ASP CB C 104 43.411 43.411 43.299 0.112 18518 8667 1 13 . 1 1 104 104 ASP H H 104 9.041 9.041 8.242 0.799 18518 8668 1 13 . 1 1 105 105 GLU N N 105 125.448 125.448 121.324 4.124 18518 8669 1 13 . 1 1 105 105 GLU HA H 105 4.180 4.180 4.134 0.046 18518 8670 1 13 . 1 1 105 105 GLU C C 105 177.519 177.519 177.415 0.104 18518 8671 1 13 . 1 1 105 105 GLU CA C 105 59.529 59.529 58.752 0.777 18518 8672 1 13 . 1 1 105 105 GLU CB C 105 30.044 30.044 29.853 0.191 18518 8673 1 13 . 1 1 105 105 GLU H H 105 8.906 8.906 8.701 0.205 18518 8674 1 13 . 1 1 106 106 ASP N N 106 118.824 118.824 117.526 1.298 18518 8675 1 13 . 1 1 106 106 ASP HA H 106 4.179 4.179 4.657 -0.478 18518 8676 1 13 . 1 1 106 106 ASP C C 106 176.223 176.223 177.060 -0.837 18518 8677 1 13 . 1 1 106 106 ASP CA C 106 54.756 54.756 55.120 -0.364 18518 8678 1 13 . 1 1 106 106 ASP CB C 106 39.999 39.999 42.031 -2.031 18518 8679 1 13 . 1 1 106 106 ASP H H 106 10.036 10.036 8.663 1.373 18518 8680 1 13 . 1 1 107 107 GLY N N 107 105.866 105.866 106.939 -1.073 18518 8681 1 13 . 1 1 107 107 GLY C C 107 175.136 175.136 173.799 1.337 18518 8682 1 13 . 1 1 107 107 GLY CA C 107 45.222 45.222 45.613 -0.391 18518 8683 1 13 . 1 1 107 107 GLY H H 107 8.001 8.001 7.775 0.226 18518 8684 1 13 . 1 1 108 108 PHE N N 108 123.820 123.820 120.985 2.835 18518 8685 1 13 . 1 1 108 108 PHE HA H 108 4.662 4.662 4.841 -0.179 18518 8686 1 13 . 1 1 108 108 PHE C C 108 174.899 174.899 174.490 0.409 18518 8687 1 13 . 1 1 108 108 PHE CA C 108 60.238 60.238 55.699 4.539 18518 8688 1 13 . 1 1 108 108 PHE CB C 108 40.365 40.365 40.633 -0.268 18518 8689 1 13 . 1 1 108 108 PHE H H 108 9.912 9.912 7.846 2.066 18518 8690 1 13 . 1 1 109 109 LEU N N 109 120.130 120.130 127.312 -7.182 18518 8691 1 13 . 1 1 109 109 LEU HA H 109 5.030 5.030 5.156 -0.126 18518 8692 1 13 . 1 1 109 109 LEU C C 109 173.916 173.916 174.665 -0.749 18518 8693 1 13 . 1 1 109 109 LEU CA C 109 53.424 53.424 53.223 0.201 18518 8694 1 13 . 1 1 109 109 LEU CB C 109 45.203 45.203 43.578 1.625 18518 8695 1 13 . 1 1 109 109 LEU H H 109 7.997 7.997 8.725 -0.728 18518 8696 1 13 . 1 1 110 110 TYR N N 110 126.579 126.579 127.145 -0.566 18518 8697 1 13 . 1 1 110 110 TYR HA H 110 5.003 5.003 4.795 0.208 18518 8698 1 13 . 1 1 110 110 TYR C C 110 176.671 176.671 175.626 1.045 18518 8699 1 13 . 1 1 110 110 TYR CA C 110 59.058 59.058 57.923 1.135 18518 8700 1 13 . 1 1 110 110 TYR CB C 110 39.556 39.556 40.636 -1.080 18518 8701 1 13 . 1 1 110 110 TYR H H 110 9.377 9.377 8.703 0.674 18518 8702 1 13 . 1 1 111 111 MET N N 111 119.240 119.240 121.749 -2.509 18518 8703 1 13 . 1 1 111 111 MET HA H 111 5.486 5.486 5.293 0.193 18518 8704 1 13 . 1 1 111 111 MET C C 111 175.695 175.695 174.561 1.134 18518 8705 1 13 . 1 1 111 111 MET CA C 111 54.124 54.124 54.699 -0.575 18518 8706 1 13 . 1 1 111 111 MET CB C 111 36.960 36.960 37.554 -0.595 18518 8707 1 13 . 1 1 111 111 MET H H 111 9.658 9.658 9.043 0.615 18518 8708 1 13 . 1 1 112 112 VAL N N 112 119.865 119.865 118.415 1.450 18518 8709 1 13 . 1 1 112 112 VAL HA H 112 5.963 5.963 5.460 0.503 18518 8710 1 13 . 1 1 112 112 VAL C C 112 175.058 175.058 174.319 0.739 18518 8711 1 13 . 1 1 112 112 VAL CA C 112 58.911 58.911 60.318 -1.407 18518 8712 1 13 . 1 1 112 112 VAL CB C 112 36.051 36.051 35.009 1.042 18518 8713 1 13 . 1 1 112 112 VAL H H 112 8.794 8.794 9.021 -0.227 18518 8714 1 13 . 1 1 113 113 TYR N N 113 119.664 119.664 120.492 -0.828 18518 8715 1 13 . 1 1 113 113 TYR HA H 113 6.118 6.118 5.871 0.247 18518 8716 1 13 . 1 1 113 113 TYR C C 113 173.375 173.375 173.630 -0.255 18518 8717 1 13 . 1 1 113 113 TYR CA C 113 54.153 54.153 55.241 -1.088 18518 8718 1 13 . 1 1 113 113 TYR CB C 113 43.312 43.312 42.081 1.231 18518 8719 1 13 . 1 1 113 113 TYR H H 113 8.315 8.315 8.594 -0.279 18518 8720 1 13 . 1 1 114 114 ALA N N 114 119.763 119.763 123.065 -3.302 18518 8721 1 13 . 1 1 114 114 ALA HA H 114 4.800 4.800 5.011 -0.211 18518 8722 1 13 . 1 1 114 114 ALA C C 114 176.216 176.216 175.254 0.962 18518 8723 1 13 . 1 1 114 114 ALA CA C 114 51.132 51.132 51.835 -0.703 18518 8724 1 13 . 1 1 114 114 ALA CB C 114 24.596 24.596 22.265 2.331 18518 8725 1 13 . 1 1 114 114 ALA H H 114 8.465 8.465 8.986 -0.521 18518 8726 1 13 . 1 1 115 115 SER N N 115 114.763 114.763 116.032 -1.269 18518 8727 1 13 . 1 1 115 115 SER HA H 115 4.496 4.496 4.968 -0.472 18518 8728 1 13 . 1 1 115 115 SER C C 115 172.671 172.671 173.619 -0.948 18518 8729 1 13 . 1 1 115 115 SER CA C 115 58.651 58.651 57.503 1.148 18518 8730 1 13 . 1 1 115 115 SER CB C 115 63.526 63.526 61.553 1.973 18518 8731 1 13 . 1 1 115 115 SER H H 115 9.915 9.915 8.954 0.961 18518 8732 1 13 . 1 1 116 116 GLN N N 116 116.611 116.611 123.510 -6.899 18518 8733 1 13 . 1 1 116 116 GLN HA H 116 4.484 4.484 4.266 0.218 18518 8734 1 13 . 1 1 116 116 GLN C C 116 172.733 172.733 173.228 -0.495 18518 8735 1 13 . 1 1 116 116 GLN CA C 116 53.926 53.926 55.482 -1.556 18518 8736 1 13 . 1 1 116 116 GLN CB C 116 32.358 32.358 31.133 1.225 18518 8737 1 13 . 1 1 116 116 GLN H H 116 7.219 7.219 7.927 -0.708 18518 8738 1 13 . 1 1 117 117 GLU N N 117 117.623 117.623 120.587 -2.964 18518 8739 1 13 . 1 1 117 117 GLU HA H 117 3.287 3.287 2.512 0.775 18518 8740 1 13 . 1 1 117 117 GLU C C 117 175.168 175.168 175.441 -0.273 18518 8741 1 13 . 1 1 117 117 GLU CA C 117 56.882 56.882 56.634 0.248 18518 8742 1 13 . 1 1 117 117 GLU CB C 117 30.522 30.522 29.549 0.973 18518 8743 1 13 . 1 1 117 117 GLU H H 117 7.882 7.882 8.198 -0.316 18518 8744 1 13 . 1 1 118 118 THR N N 118 109.820 109.820 111.439 -1.619 18518 8745 1 13 . 1 1 118 118 THR HA H 118 4.066 4.066 4.211 -0.145 18518 8746 1 13 . 1 1 118 118 THR C C 118 172.355 172.355 173.583 -1.228 18518 8747 1 13 . 1 1 118 118 THR CA C 118 60.029 60.029 60.460 -0.431 18518 8748 1 13 . 1 1 118 118 THR CB C 118 70.480 70.480 69.350 1.130 18518 8749 1 13 . 1 1 118 118 THR H H 118 6.992 6.992 7.229 -0.237 18518 8750 1 14 . 1 1 2 2 ALA HA H 2 4.336 4.336 5.225 -0.889 18518 8751 1 14 . 1 1 2 2 ALA C C 2 177.974 177.974 176.227 1.747 18518 8752 1 14 . 1 1 2 2 ALA CA C 2 52.785 52.785 51.366 1.419 18518 8753 1 14 . 1 1 2 2 ALA CB C 2 19.444 19.444 21.260 -1.816 18518 8754 1 14 . 1 1 3 3 MET N N 3 119.311 119.311 120.676 -1.365 18518 8755 1 14 . 1 1 3 3 MET HA H 3 4.451 4.451 4.643 -0.192 18518 8756 1 14 . 1 1 3 3 MET C C 3 176.913 176.913 175.873 1.040 18518 8757 1 14 . 1 1 3 3 MET CA C 3 55.679 55.679 55.133 0.546 18518 8758 1 14 . 1 1 3 3 MET CB C 3 32.590 32.590 34.819 -2.229 18518 8759 1 14 . 1 1 3 3 MET H H 3 8.638 8.638 8.523 0.115 18518 8760 1 14 . 1 1 4 4 GLY N N 4 110.281 110.281 110.319 -0.038 18518 8761 1 14 . 1 1 4 4 GLY C C 4 174.180 174.180 174.175 0.005 18518 8762 1 14 . 1 1 4 4 GLY CA C 4 45.495 45.495 44.571 0.924 18518 8763 1 14 . 1 1 4 4 GLY H H 4 8.552 8.552 8.509 0.043 18518 8764 1 14 . 1 1 5 5 LYS N N 5 120.818 120.818 122.113 -1.295 18518 8765 1 14 . 1 1 5 5 LYS HA H 5 4.509 4.509 4.326 0.183 18518 8766 1 14 . 1 1 5 5 LYS C C 5 177.605 177.605 176.948 0.657 18518 8767 1 14 . 1 1 5 5 LYS CA C 5 56.134 56.134 55.685 0.449 18518 8768 1 14 . 1 1 5 5 LYS CB C 5 34.813 34.813 32.932 1.881 18518 8769 1 14 . 1 1 5 5 LYS H H 5 8.133 8.133 8.364 -0.231 18518 8770 1 14 . 1 1 6 6 THR N N 6 114.781 114.781 118.574 -3.793 18518 8771 1 14 . 1 1 6 6 THR HA H 6 4.421 4.421 4.331 0.090 18518 8772 1 14 . 1 1 6 6 THR C C 6 175.524 175.524 175.913 -0.389 18518 8773 1 14 . 1 1 6 6 THR CA C 6 61.127 61.127 61.623 -0.496 18518 8774 1 14 . 1 1 6 6 THR CB C 6 69.926 69.926 69.889 0.037 18518 8775 1 14 . 1 1 6 6 THR H H 6 8.483 8.483 8.354 0.129 18518 8776 1 14 . 1 1 7 7 PHE N N 7 125.552 125.552 121.778 3.774 18518 8777 1 14 . 1 1 7 7 PHE HA H 7 4.005 4.005 4.060 -0.055 18518 8778 1 14 . 1 1 7 7 PHE C C 7 177.397 177.397 177.012 0.385 18518 8779 1 14 . 1 1 7 7 PHE CA C 7 63.393 63.393 60.971 2.422 18518 8780 1 14 . 1 1 7 7 PHE CB C 7 39.567 39.567 37.627 1.940 18518 8781 1 14 . 1 1 7 7 PHE H H 7 10.245 10.245 8.947 1.298 18518 8782 1 14 . 1 1 8 8 LYS N N 8 114.053 114.053 117.448 -3.395 18518 8783 1 14 . 1 1 8 8 LYS HA H 8 3.835 3.835 3.938 -0.103 18518 8784 1 14 . 1 1 8 8 LYS C C 8 175.520 175.520 178.566 -3.046 18518 8785 1 14 . 1 1 8 8 LYS CA C 8 59.993 59.993 58.467 1.526 18518 8786 1 14 . 1 1 8 8 LYS CB C 8 33.689 33.689 31.364 2.325 18518 8787 1 14 . 1 1 8 8 LYS H H 8 8.775 8.775 6.934 1.841 18518 8788 1 14 . 1 1 9 9 GLN N N 9 113.516 113.516 118.059 -4.543 18518 8789 1 14 . 1 1 9 9 GLN HA H 9 4.149 4.149 4.191 -0.042 18518 8790 1 14 . 1 1 9 9 GLN C C 9 177.615 177.615 177.543 0.072 18518 8791 1 14 . 1 1 9 9 GLN CA C 9 56.819 56.819 57.418 -0.599 18518 8792 1 14 . 1 1 9 9 GLN CB C 9 30.019 30.019 28.967 1.052 18518 8793 1 14 . 1 1 9 9 GLN H H 9 7.355 7.355 7.755 -0.400 18518 8794 1 14 . 1 1 10 10 ARG N N 10 118.294 118.294 117.036 1.258 18518 8795 1 14 . 1 1 10 10 ARG HA H 10 4.302 4.302 4.169 0.133 18518 8796 1 14 . 1 1 10 10 ARG C C 10 179.380 179.380 177.392 1.988 18518 8797 1 14 . 1 1 10 10 ARG CA C 10 57.268 57.268 57.800 -0.532 18518 8798 1 14 . 1 1 10 10 ARG CB C 10 31.642 31.642 30.394 1.248 18518 8799 1 14 . 1 1 10 10 ARG H H 10 7.936 7.936 7.637 0.299 18518 8800 1 14 . 1 1 11 11 ARG N N 11 121.137 121.137 120.792 0.345 18518 8801 1 14 . 1 1 11 11 ARG HA H 11 4.680 4.680 4.964 -0.284 18518 8802 1 14 . 1 1 11 11 ARG CA C 11 53.453 53.453 54.126 -0.673 18518 8803 1 14 . 1 1 11 11 ARG CB C 11 32.938 32.938 31.558 1.380 18518 8804 1 14 . 1 1 11 11 ARG H H 11 7.390 7.390 7.761 -0.371 18518 8805 1 14 . 1 1 12 12 THR N N 12 116.819 116.819 122.027 -5.208 18518 8806 1 14 . 1 1 12 12 THR HA H 12 4.359 4.359 4.250 0.109 18518 8807 1 14 . 1 1 12 12 THR C C 12 174.989 174.989 175.754 -0.765 18518 8808 1 14 . 1 1 12 12 THR CA C 12 61.748 61.748 64.105 -2.357 18518 8809 1 14 . 1 1 12 12 THR CB C 12 71.068 71.068 69.587 1.481 18518 8810 1 14 . 1 1 12 12 THR H H 12 8.953 8.953 8.645 0.308 18518 8811 1 14 . 1 1 13 13 PHE N N 13 123.200 123.200 123.787 -0.587 18518 8812 1 14 . 1 1 13 13 PHE HA H 13 4.028 4.028 4.148 -0.120 18518 8813 1 14 . 1 1 13 13 PHE C C 13 176.029 176.029 177.416 -1.387 18518 8814 1 14 . 1 1 13 13 PHE CA C 13 62.864 62.864 62.914 -0.050 18518 8815 1 14 . 1 1 13 13 PHE CB C 13 39.560 39.560 39.211 0.349 18518 8816 1 14 . 1 1 13 13 PHE H H 13 9.284 9.284 8.849 0.435 18518 8817 1 14 . 1 1 14 14 GLU N N 14 115.414 115.414 118.273 -2.859 18518 8818 1 14 . 1 1 14 14 GLU HA H 14 3.794 3.794 4.127 -0.333 18518 8819 1 14 . 1 1 14 14 GLU C C 14 180.081 180.081 179.151 0.930 18518 8820 1 14 . 1 1 14 14 GLU CA C 14 60.619 60.619 59.978 0.641 18518 8821 1 14 . 1 1 14 14 GLU CB C 14 28.852 28.852 29.043 -0.191 18518 8822 1 14 . 1 1 14 14 GLU H H 14 8.973 8.973 8.829 0.144 18518 8823 1 14 . 1 1 15 15 GLN N N 15 119.276 119.276 118.532 0.744 18518 8824 1 14 . 1 1 15 15 GLN HA H 15 4.000 4.000 4.100 -0.100 18518 8825 1 14 . 1 1 15 15 GLN C C 15 177.978 177.978 178.640 -0.662 18518 8826 1 14 . 1 1 15 15 GLN CA C 15 58.835 58.835 58.908 -0.073 18518 8827 1 14 . 1 1 15 15 GLN CB C 15 29.370 29.370 28.436 0.935 18518 8828 1 14 . 1 1 15 15 GLN H H 15 7.756 7.756 8.525 -0.769 18518 8829 1 14 . 1 1 16 16 ARG N N 16 121.336 121.336 119.910 1.426 18518 8830 1 14 . 1 1 16 16 ARG HA H 16 4.270 4.270 4.170 0.100 18518 8831 1 14 . 1 1 16 16 ARG C C 16 177.416 177.416 178.640 -1.224 18518 8832 1 14 . 1 1 16 16 ARG CA C 16 61.375 61.375 59.749 1.626 18518 8833 1 14 . 1 1 16 16 ARG CB C 16 30.605 30.605 30.469 0.136 18518 8834 1 14 . 1 1 16 16 ARG H H 16 8.645 8.645 8.067 0.578 18518 8835 1 14 . 1 1 17 17 VAL N N 17 117.630 117.630 116.617 1.013 18518 8836 1 14 . 1 1 17 17 VAL HA H 17 3.857 3.857 3.819 0.038 18518 8837 1 14 . 1 1 17 17 VAL C C 17 179.748 179.748 178.037 1.711 18518 8838 1 14 . 1 1 17 17 VAL CA C 17 65.726 65.726 65.487 0.239 18518 8839 1 14 . 1 1 17 17 VAL CB C 17 32.194 32.194 31.431 0.763 18518 8840 1 14 . 1 1 17 17 VAL H H 17 8.373 8.373 7.958 0.415 18518 8841 1 14 . 1 1 18 18 GLU N N 18 120.864 120.864 120.324 0.540 18518 8842 1 14 . 1 1 18 18 GLU HA H 18 4.302 4.302 4.011 0.291 18518 8843 1 14 . 1 1 18 18 GLU C C 18 177.728 177.728 178.225 -0.497 18518 8844 1 14 . 1 1 18 18 GLU CA C 18 58.486 58.486 59.529 -1.043 18518 8845 1 14 . 1 1 18 18 GLU CB C 18 29.382 29.382 29.596 -0.214 18518 8846 1 14 . 1 1 18 18 GLU H H 18 7.368 7.368 8.255 -0.887 18518 8847 1 14 . 1 1 19 19 ASP N N 19 121.425 121.425 120.310 1.115 18518 8848 1 14 . 1 1 19 19 ASP HA H 19 4.434 4.434 4.431 0.003 18518 8849 1 14 . 1 1 19 19 ASP C C 19 179.978 179.978 178.465 1.513 18518 8850 1 14 . 1 1 19 19 ASP CA C 19 57.422 57.422 57.551 -0.129 18518 8851 1 14 . 1 1 19 19 ASP CB C 19 41.287 41.287 41.290 -0.003 18518 8852 1 14 . 1 1 19 19 ASP H H 19 8.671 8.671 7.917 0.754 18518 8853 1 14 . 1 1 20 20 VAL N N 20 119.730 119.730 117.411 2.319 18518 8854 1 14 . 1 1 20 20 VAL HA H 20 3.205 3.205 3.462 -0.257 18518 8855 1 14 . 1 1 20 20 VAL C C 20 176.284 176.284 177.665 -1.381 18518 8856 1 14 . 1 1 20 20 VAL CA C 20 66.315 66.315 65.855 0.460 18518 8857 1 14 . 1 1 20 20 VAL CB C 20 31.107 31.107 31.143 -0.036 18518 8858 1 14 . 1 1 20 20 VAL H H 20 7.999 7.999 8.211 -0.212 18518 8859 1 14 . 1 1 21 21 ARG N N 21 121.455 121.455 119.188 2.267 18518 8860 1 14 . 1 1 21 21 ARG HA H 21 3.814 3.814 3.948 -0.134 18518 8861 1 14 . 1 1 21 21 ARG C C 21 180.120 180.120 178.479 1.641 18518 8862 1 14 . 1 1 21 21 ARG CA C 21 59.830 59.830 58.798 1.032 18518 8863 1 14 . 1 1 21 21 ARG CB C 21 29.946 29.946 29.181 0.765 18518 8864 1 14 . 1 1 21 21 ARG H H 21 8.098 8.098 7.753 0.345 18518 8865 1 14 . 1 1 22 22 LEU N N 22 117.826 117.826 121.653 -3.827 18518 8866 1 14 . 1 1 22 22 LEU HA H 22 4.049 4.049 4.048 0.001 18518 8867 1 14 . 1 1 22 22 LEU C C 22 180.115 180.115 178.426 1.689 18518 8868 1 14 . 1 1 22 22 LEU CA C 22 57.790 57.790 57.917 -0.127 18518 8869 1 14 . 1 1 22 22 LEU CB C 22 42.142 42.142 41.535 0.607 18518 8870 1 14 . 1 1 22 22 LEU H H 22 8.207 8.207 7.809 0.398 18518 8871 1 14 . 1 1 23 23 ILE N N 23 121.450 121.450 119.186 2.264 18518 8872 1 14 . 1 1 23 23 ILE HA H 23 4.013 4.013 3.595 0.418 18518 8873 1 14 . 1 1 23 23 ILE C C 23 178.149 178.149 178.339 -0.190 18518 8874 1 14 . 1 1 23 23 ILE CA C 23 62.171 62.171 65.387 -3.216 18518 8875 1 14 . 1 1 23 23 ILE CB C 23 38.106 38.106 37.634 0.472 18518 8876 1 14 . 1 1 23 23 ILE H H 23 8.105 8.105 8.433 -0.328 18518 8877 1 14 . 1 1 24 24 ARG N N 24 121.139 121.139 118.879 2.260 18518 8878 1 14 . 1 1 24 24 ARG HA H 24 3.987 3.987 4.063 -0.076 18518 8879 1 14 . 1 1 24 24 ARG C C 24 178.702 178.702 178.852 -0.150 18518 8880 1 14 . 1 1 24 24 ARG CA C 24 57.718 57.718 58.794 -1.076 18518 8881 1 14 . 1 1 24 24 ARG CB C 24 28.769 28.769 29.857 -1.087 18518 8882 1 14 . 1 1 24 24 ARG H H 24 8.601 8.601 8.411 0.190 18518 8883 1 14 . 1 1 25 25 GLU N N 25 118.054 118.054 119.718 -1.664 18518 8884 1 14 . 1 1 25 25 GLU HA H 25 4.026 4.026 4.160 -0.134 18518 8885 1 14 . 1 1 25 25 GLU C C 25 178.492 178.492 178.852 -0.360 18518 8886 1 14 . 1 1 25 25 GLU CA C 25 58.780 58.780 58.623 0.157 18518 8887 1 14 . 1 1 25 25 GLU CB C 25 30.001 30.001 29.509 0.492 18518 8888 1 14 . 1 1 25 25 GLU H H 25 7.423 7.423 7.803 -0.380 18518 8889 1 14 . 1 1 26 26 GLN N N 26 116.350 116.350 116.803 -0.453 18518 8890 1 14 . 1 1 26 26 GLN HA H 26 3.936 3.936 4.018 -0.082 18518 8891 1 14 . 1 1 26 26 GLN C C 26 176.305 176.305 176.656 -0.351 18518 8892 1 14 . 1 1 26 26 GLN CA C 26 57.503 57.503 57.686 -0.183 18518 8893 1 14 . 1 1 26 26 GLN CB C 26 30.207 30.207 29.738 0.469 18518 8894 1 14 . 1 1 26 26 GLN H H 26 7.524 7.524 8.038 -0.514 18518 8895 1 14 . 1 1 27 27 HIS N N 27 116.017 116.017 118.149 -2.132 18518 8896 1 14 . 1 1 27 27 HIS HA H 27 4.930 4.930 5.060 -0.130 18518 8897 1 14 . 1 1 27 27 HIS CA C 27 53.054 53.054 53.230 -0.176 18518 8898 1 14 . 1 1 27 27 HIS CB C 27 30.747 30.747 31.595 -0.848 18518 8899 1 14 . 1 1 27 27 HIS H H 27 8.284 8.284 7.985 0.299 18518 8900 1 14 . 1 1 28 28 PRO HA H 28 4.581 4.581 4.597 -0.016 18518 8901 1 14 . 1 1 28 28 PRO CA C 28 64.919 64.919 64.469 0.450 18518 8902 1 14 . 1 1 28 28 PRO CB C 28 32.455 32.455 32.204 0.251 18518 8903 1 14 . 1 1 29 29 THR N N 29 107.011 107.011 108.645 -1.634 18518 8904 1 14 . 1 1 29 29 THR HA H 29 4.599 4.599 4.629 -0.030 18518 8905 1 14 . 1 1 29 29 THR C C 29 172.884 172.884 174.316 -1.432 18518 8906 1 14 . 1 1 29 29 THR CA C 29 60.810 60.810 61.255 -0.445 18518 8907 1 14 . 1 1 29 29 THR CB C 29 68.531 68.531 68.738 -0.207 18518 8908 1 14 . 1 1 29 29 THR H H 29 7.890 7.890 8.398 -0.508 18518 8909 1 14 . 1 1 30 30 LYS N N 30 117.679 117.679 121.467 -3.788 18518 8910 1 14 . 1 1 30 30 LYS HA H 30 4.858 4.858 4.969 -0.111 18518 8911 1 14 . 1 1 30 30 LYS C C 30 174.310 174.310 174.790 -0.480 18518 8912 1 14 . 1 1 30 30 LYS CA C 30 53.751 53.751 53.879 -0.128 18518 8913 1 14 . 1 1 30 30 LYS CB C 30 35.804 35.804 35.548 0.256 18518 8914 1 14 . 1 1 30 30 LYS H H 30 7.441 7.441 7.548 -0.107 18518 8915 1 14 . 1 1 31 31 ILE N N 31 122.849 122.849 123.441 -0.592 18518 8916 1 14 . 1 1 31 31 ILE HA H 31 4.105 4.105 4.356 -0.251 18518 8917 1 14 . 1 1 31 31 ILE CA C 31 54.801 54.801 56.343 -1.542 18518 8918 1 14 . 1 1 31 31 ILE CB C 31 38.265 38.265 38.145 0.120 18518 8919 1 14 . 1 1 31 31 ILE H H 31 9.304 9.304 9.031 0.273 18518 8920 1 14 . 1 1 32 32 PRO HA H 32 5.159 5.159 5.058 0.101 18518 8921 1 14 . 1 1 32 32 PRO C C 32 174.164 174.164 175.755 -1.591 18518 8922 1 14 . 1 1 32 32 PRO CA C 32 61.503 61.503 62.146 -0.643 18518 8923 1 14 . 1 1 32 32 PRO CB C 32 31.145 31.145 31.215 -0.070 18518 8924 1 14 . 1 1 33 33 VAL N N 33 125.606 125.606 125.769 -0.163 18518 8925 1 14 . 1 1 33 33 VAL HA H 33 5.213 5.213 5.022 0.191 18518 8926 1 14 . 1 1 33 33 VAL C C 33 173.654 173.654 173.672 -0.018 18518 8927 1 14 . 1 1 33 33 VAL CA C 33 60.044 60.044 59.137 0.907 18518 8928 1 14 . 1 1 33 33 VAL CB C 33 35.604 35.604 36.265 -0.661 18518 8929 1 14 . 1 1 33 33 VAL H H 33 9.424 9.424 8.524 0.900 18518 8930 1 14 . 1 1 34 34 ILE N N 34 128.241 128.241 128.389 -0.148 18518 8931 1 14 . 1 1 34 34 ILE HA H 34 4.833 4.833 4.895 -0.062 18518 8932 1 14 . 1 1 34 34 ILE C C 34 175.605 175.605 174.987 0.618 18518 8933 1 14 . 1 1 34 34 ILE CA C 34 56.765 56.765 59.649 -2.884 18518 8934 1 14 . 1 1 34 34 ILE CB C 34 36.799 36.799 39.695 -2.896 18518 8935 1 14 . 1 1 34 34 ILE H H 34 8.721 8.721 9.144 -0.423 18518 8936 1 14 . 1 1 35 35 ILE N N 35 125.650 125.650 127.909 -2.259 18518 8937 1 14 . 1 1 35 35 ILE HA H 35 4.836 4.836 4.745 0.090 18518 8938 1 14 . 1 1 35 35 ILE C C 35 174.887 174.887 174.553 0.334 18518 8939 1 14 . 1 1 35 35 ILE CA C 35 60.945 60.945 60.148 0.797 18518 8940 1 14 . 1 1 35 35 ILE CB C 35 39.210 39.210 39.013 0.197 18518 8941 1 14 . 1 1 35 35 ILE H H 35 9.034 9.034 8.719 0.315 18518 8942 1 14 . 1 1 36 36 GLU N N 36 122.657 122.657 127.871 -5.214 18518 8943 1 14 . 1 1 36 36 GLU HA H 36 4.861 4.861 4.883 -0.022 18518 8944 1 14 . 1 1 36 36 GLU C C 36 173.848 173.848 174.554 -0.706 18518 8945 1 14 . 1 1 36 36 GLU CA C 36 53.932 53.932 54.122 -0.190 18518 8946 1 14 . 1 1 36 36 GLU CB C 36 35.282 35.282 34.057 1.225 18518 8947 1 14 . 1 1 36 36 GLU H H 36 8.303 8.303 8.787 -0.484 18518 8948 1 14 . 1 1 37 37 ARG N N 37 123.228 123.228 123.952 -0.724 18518 8949 1 14 . 1 1 37 37 ARG HA H 37 2.726 2.726 3.275 -0.549 18518 8950 1 14 . 1 1 37 37 ARG C C 37 176.359 176.359 175.677 0.682 18518 8951 1 14 . 1 1 37 37 ARG CA C 37 56.359 56.359 56.218 0.141 18518 8952 1 14 . 1 1 37 37 ARG CB C 37 31.341 31.341 30.906 0.435 18518 8953 1 14 . 1 1 37 37 ARG H H 37 8.856 8.856 8.493 0.363 18518 8954 1 14 . 1 1 38 38 TYR N N 38 128.981 128.981 127.602 1.379 18518 8955 1 14 . 1 1 38 38 TYR HA H 38 4.352 4.352 4.372 -0.020 18518 8956 1 14 . 1 1 38 38 TYR C C 38 177.316 177.316 176.512 0.804 18518 8957 1 14 . 1 1 38 38 TYR CA C 38 57.712 57.712 57.817 -0.105 18518 8958 1 14 . 1 1 38 38 TYR CB C 38 39.472 39.472 40.325 -0.854 18518 8959 1 14 . 1 1 38 38 TYR H H 38 8.628 8.628 8.203 0.425 18518 8960 1 14 . 1 1 39 39 LYS N N 39 130.635 130.635 125.605 5.030 18518 8961 1 14 . 1 1 39 39 LYS HA H 39 3.822 3.822 3.871 -0.049 18518 8962 1 14 . 1 1 39 39 LYS CA C 39 58.887 58.887 57.874 1.013 18518 8963 1 14 . 1 1 39 39 LYS CB C 39 31.771 31.771 31.991 -0.220 18518 8964 1 14 . 1 1 39 39 LYS H H 39 8.594 8.594 8.189 0.405 18518 8965 1 14 . 1 1 40 40 GLY C C 40 173.447 173.447 173.700 -0.253 18518 8966 1 14 . 1 1 40 40 GLY CA C 40 44.663 44.663 44.010 0.653 18518 8967 1 14 . 1 1 40 40 GLY H H 40 5.188 5.188 6.457 -1.269 18518 8968 1 14 . 1 1 41 41 GLU N N 41 122.836 122.836 120.595 2.241 18518 8969 1 14 . 1 1 41 41 GLU HA H 41 4.257 4.257 4.428 -0.171 18518 8970 1 14 . 1 1 41 41 GLU C C 41 176.524 176.524 175.129 1.395 18518 8971 1 14 . 1 1 41 41 GLU CA C 41 56.525 56.525 55.029 1.496 18518 8972 1 14 . 1 1 41 41 GLU CB C 41 30.985 30.985 29.478 1.507 18518 8973 1 14 . 1 1 41 41 GLU H H 41 7.380 7.380 7.749 -0.369 18518 8974 1 14 . 1 1 42 42 LYS N N 42 124.040 124.040 126.380 -2.340 18518 8975 1 14 . 1 1 42 42 LYS HA H 42 4.675 4.675 4.411 0.264 18518 8976 1 14 . 1 1 42 42 LYS C C 42 177.538 177.538 177.242 0.296 18518 8977 1 14 . 1 1 42 42 LYS CA C 42 55.840 55.840 56.682 -0.842 18518 8978 1 14 . 1 1 42 42 LYS CB C 42 34.979 34.979 33.379 1.600 18518 8979 1 14 . 1 1 42 42 LYS H H 42 9.034 9.034 8.825 0.209 18518 8980 1 14 . 1 1 43 43 GLN N N 43 119.259 119.259 117.976 1.283 18518 8981 1 14 . 1 1 43 43 GLN HA H 43 4.542 4.542 4.378 0.164 18518 8982 1 14 . 1 1 43 43 GLN C C 43 177.336 177.336 176.273 1.063 18518 8983 1 14 . 1 1 43 43 GLN CA C 43 57.673 57.673 56.500 1.173 18518 8984 1 14 . 1 1 43 43 GLN CB C 43 30.782 30.782 30.246 0.536 18518 8985 1 14 . 1 1 43 43 GLN H H 43 8.435 8.435 8.994 -0.559 18518 8986 1 14 . 1 1 44 44 LEU N N 44 120.760 120.760 124.088 -3.328 18518 8987 1 14 . 1 1 44 44 LEU HA H 44 4.695 4.695 4.733 -0.038 18518 8988 1 14 . 1 1 44 44 LEU CA C 44 53.245 53.245 52.779 0.466 18518 8989 1 14 . 1 1 44 44 LEU CB C 44 43.596 43.596 41.233 2.363 18518 8990 1 14 . 1 1 44 44 LEU H H 44 9.126 9.126 8.524 0.603 18518 8991 1 14 . 1 1 45 45 PRO HA H 45 4.717 4.717 4.537 0.180 18518 8992 1 14 . 1 1 45 45 PRO C C 45 175.797 175.797 176.799 -1.002 18518 8993 1 14 . 1 1 45 45 PRO CA C 45 62.111 62.111 62.236 -0.125 18518 8994 1 14 . 1 1 45 45 PRO CB C 45 32.592 32.592 32.430 0.162 18518 8995 1 14 . 1 1 46 46 VAL N N 46 119.052 119.052 120.990 -1.938 18518 8996 1 14 . 1 1 46 46 VAL HA H 46 3.867 3.867 4.217 -0.350 18518 8997 1 14 . 1 1 46 46 VAL C C 46 175.640 175.640 176.058 -0.418 18518 8998 1 14 . 1 1 46 46 VAL CA C 46 62.944 62.944 62.076 0.868 18518 8999 1 14 . 1 1 46 46 VAL CB C 46 32.799 32.799 33.037 -0.238 18518 9000 1 14 . 1 1 46 46 VAL H H 46 8.543 8.543 8.160 0.383 18518 9001 1 14 . 1 1 47 47 LEU N N 47 130.203 130.203 125.909 4.294 18518 9002 1 14 . 1 1 47 47 LEU HA H 47 4.309 4.309 4.473 -0.164 18518 9003 1 14 . 1 1 47 47 LEU C C 47 176.198 176.198 176.987 -0.789 18518 9004 1 14 . 1 1 47 47 LEU CA C 47 55.006 55.006 55.482 -0.476 18518 9005 1 14 . 1 1 47 47 LEU CB C 47 43.832 43.832 42.277 1.555 18518 9006 1 14 . 1 1 47 47 LEU H H 47 7.799 7.799 8.761 -0.962 18518 9007 1 14 . 1 1 48 48 ASP N N 48 122.403 122.403 119.893 2.510 18518 9008 1 14 . 1 1 48 48 ASP HA H 48 4.263 4.263 4.613 -0.350 18518 9009 1 14 . 1 1 48 48 ASP C C 48 175.294 175.294 175.665 -0.371 18518 9010 1 14 . 1 1 48 48 ASP CA C 48 55.832 55.832 55.732 0.100 18518 9011 1 14 . 1 1 48 48 ASP CB C 48 40.184 40.184 41.404 -1.220 18518 9012 1 14 . 1 1 48 48 ASP H H 48 8.780 8.780 8.500 0.280 18518 9013 1 14 . 1 1 49 49 LYS N N 49 119.569 119.569 116.845 2.724 18518 9014 1 14 . 1 1 49 49 LYS HA H 49 4.585 4.585 4.470 0.115 18518 9015 1 14 . 1 1 49 49 LYS C C 49 174.678 174.678 175.526 -0.848 18518 9016 1 14 . 1 1 49 49 LYS CA C 49 53.652 53.652 55.383 -1.731 18518 9017 1 14 . 1 1 49 49 LYS CB C 49 35.945 35.945 34.551 1.394 18518 9018 1 14 . 1 1 49 49 LYS H H 49 7.280 7.280 7.496 -0.216 18518 9019 1 14 . 1 1 50 50 THR N N 50 110.862 110.862 111.380 -0.518 18518 9020 1 14 . 1 1 50 50 THR HA H 50 4.811 4.811 4.801 0.010 18518 9021 1 14 . 1 1 50 50 THR C C 50 172.425 172.425 174.407 -1.982 18518 9022 1 14 . 1 1 50 50 THR CA C 50 62.645 62.645 62.549 0.096 18518 9023 1 14 . 1 1 50 50 THR CB C 50 71.648 71.648 70.255 1.393 18518 9024 1 14 . 1 1 50 50 THR H H 50 8.042 8.042 8.302 -0.260 18518 9025 1 14 . 1 1 51 51 LYS N N 51 120.008 120.008 121.937 -1.929 18518 9026 1 14 . 1 1 51 51 LYS HA H 51 4.625 4.625 4.229 0.396 18518 9027 1 14 . 1 1 51 51 LYS C C 51 175.082 175.082 176.018 -0.936 18518 9028 1 14 . 1 1 51 51 LYS CA C 51 54.704 54.704 56.500 -1.796 18518 9029 1 14 . 1 1 51 51 LYS CB C 51 32.376 32.376 33.139 -0.763 18518 9030 1 14 . 1 1 51 51 LYS H H 51 7.119 7.119 7.362 -0.243 18518 9031 1 14 . 1 1 52 52 PHE N N 52 122.640 122.640 121.619 1.021 18518 9032 1 14 . 1 1 52 52 PHE HA H 52 5.337 5.337 4.722 0.615 18518 9033 1 14 . 1 1 52 52 PHE C C 52 174.213 174.213 174.325 -0.112 18518 9034 1 14 . 1 1 52 52 PHE CA C 52 56.611 56.611 56.933 -0.322 18518 9035 1 14 . 1 1 52 52 PHE CB C 52 43.140 43.140 43.551 -0.411 18518 9036 1 14 . 1 1 52 52 PHE H H 52 9.709 9.709 9.217 0.492 18518 9037 1 14 . 1 1 53 53 LEU N N 53 122.157 122.157 122.705 -0.548 18518 9038 1 14 . 1 1 53 53 LEU HA H 53 4.947 4.947 4.975 -0.028 18518 9039 1 14 . 1 1 53 53 LEU C C 53 175.769 175.769 175.826 -0.057 18518 9040 1 14 . 1 1 53 53 LEU CA C 53 52.957 52.957 53.981 -1.024 18518 9041 1 14 . 1 1 53 53 LEU CB C 53 44.415 44.415 43.612 0.803 18518 9042 1 14 . 1 1 53 53 LEU H H 53 8.959 8.959 8.512 0.447 18518 9043 1 14 . 1 1 54 54 VAL N N 54 124.919 124.919 125.860 -0.941 18518 9044 1 14 . 1 1 54 54 VAL HA H 54 4.559 4.559 4.579 -0.020 18518 9045 1 14 . 1 1 54 54 VAL CA C 54 59.130 59.130 58.876 0.254 18518 9046 1 14 . 1 1 54 54 VAL CB C 54 34.968 34.968 33.734 1.234 18518 9047 1 14 . 1 1 54 54 VAL H H 54 8.922 8.922 8.461 0.461 18518 9048 1 14 . 1 1 55 55 PRO HA H 55 4.441 4.441 4.829 -0.388 18518 9049 1 14 . 1 1 55 55 PRO C C 55 176.594 176.594 177.932 -1.338 18518 9050 1 14 . 1 1 55 55 PRO CA C 55 64.315 64.315 62.033 2.282 18518 9051 1 14 . 1 1 55 55 PRO CB C 55 32.665 32.665 31.826 0.840 18518 9052 1 14 . 1 1 56 56 ASP N N 56 120.522 120.522 123.265 -2.743 18518 9053 1 14 . 1 1 56 56 ASP HA H 56 3.862 3.862 4.172 -0.310 18518 9054 1 14 . 1 1 56 56 ASP C C 56 175.809 175.809 177.136 -1.327 18518 9055 1 14 . 1 1 56 56 ASP CA C 56 56.749 56.749 56.935 -0.186 18518 9056 1 14 . 1 1 56 56 ASP CB C 56 40.510 40.510 40.590 -0.081 18518 9057 1 14 . 1 1 56 56 ASP H H 56 8.347 8.347 8.415 -0.068 18518 9058 1 14 . 1 1 57 57 HIS N N 57 113.482 113.482 115.835 -2.353 18518 9059 1 14 . 1 1 57 57 HIS HA H 57 4.720 4.720 4.528 0.192 18518 9060 1 14 . 1 1 57 57 HIS C C 57 176.507 176.507 175.473 1.034 18518 9061 1 14 . 1 1 57 57 HIS CA C 57 55.589 55.589 56.421 -0.832 18518 9062 1 14 . 1 1 57 57 HIS CB C 57 30.643 30.643 29.675 0.968 18518 9063 1 14 . 1 1 57 57 HIS H H 57 7.557 7.557 8.143 -0.586 18518 9064 1 14 . 1 1 58 58 VAL N N 58 123.279 123.279 121.342 1.937 18518 9065 1 14 . 1 1 58 58 VAL HA H 58 3.836 3.836 4.263 -0.427 18518 9066 1 14 . 1 1 58 58 VAL C C 58 175.019 175.019 174.973 0.046 18518 9067 1 14 . 1 1 58 58 VAL CA C 58 62.823 62.823 61.006 1.817 18518 9068 1 14 . 1 1 58 58 VAL CB C 58 32.310 32.310 33.697 -1.387 18518 9069 1 14 . 1 1 58 58 VAL H H 58 7.345 7.345 7.306 0.039 18518 9070 1 14 . 1 1 59 59 ASN N N 59 123.781 123.781 124.470 -0.689 18518 9071 1 14 . 1 1 59 59 ASN HA H 59 5.126 5.126 4.862 0.264 18518 9072 1 14 . 1 1 59 59 ASN C C 59 176.558 176.558 176.319 0.239 18518 9073 1 14 . 1 1 59 59 ASN CA C 59 51.485 51.485 52.725 -1.240 18518 9074 1 14 . 1 1 59 59 ASN CB C 59 40.107 40.107 39.479 0.628 18518 9075 1 14 . 1 1 59 59 ASN H H 59 8.735 8.735 8.636 0.099 18518 9076 1 14 . 1 1 60 60 MET N N 60 117.453 117.453 118.383 -0.930 18518 9077 1 14 . 1 1 60 60 MET HA H 60 4.395 4.395 4.156 0.239 18518 9078 1 14 . 1 1 60 60 MET C C 60 178.144 178.144 178.230 -0.086 18518 9079 1 14 . 1 1 60 60 MET CA C 60 57.097 57.097 58.224 -1.127 18518 9080 1 14 . 1 1 60 60 MET CB C 60 30.140 30.140 31.121 -0.981 18518 9081 1 14 . 1 1 60 60 MET H H 60 8.227 8.227 8.250 -0.023 18518 9082 1 14 . 1 1 61 61 SER N N 61 114.216 114.216 114.981 -0.765 18518 9083 1 14 . 1 1 61 61 SER HA H 61 4.111 4.111 4.078 0.033 18518 9084 1 14 . 1 1 61 61 SER C C 61 177.335 177.335 176.974 0.361 18518 9085 1 14 . 1 1 61 61 SER CA C 61 61.590 61.590 62.460 -0.870 18518 9086 1 14 . 1 1 61 61 SER CB C 61 62.402 62.402 62.836 -0.434 18518 9087 1 14 . 1 1 61 61 SER H H 61 8.464 8.464 8.684 -0.220 18518 9088 1 14 . 1 1 62 62 GLU N N 62 123.004 123.004 121.243 1.761 18518 9089 1 14 . 1 1 62 62 GLU HA H 62 4.047 4.047 4.117 -0.070 18518 9090 1 14 . 1 1 62 62 GLU C C 62 178.686 178.686 178.908 -0.222 18518 9091 1 14 . 1 1 62 62 GLU CA C 62 58.625 58.625 58.807 -0.182 18518 9092 1 14 . 1 1 62 62 GLU CB C 62 29.654 29.654 29.350 0.304 18518 9093 1 14 . 1 1 62 62 GLU H H 62 7.994 7.994 7.663 0.331 18518 9094 1 14 . 1 1 63 63 LEU N N 63 120.818 120.818 121.858 -1.040 18518 9095 1 14 . 1 1 63 63 LEU HA H 63 3.965 3.965 4.005 -0.040 18518 9096 1 14 . 1 1 63 63 LEU C C 63 178.046 178.046 178.760 -0.714 18518 9097 1 14 . 1 1 63 63 LEU CA C 63 57.920 57.920 58.250 -0.330 18518 9098 1 14 . 1 1 63 63 LEU CB C 63 41.624 41.624 41.572 0.052 18518 9099 1 14 . 1 1 63 63 LEU H H 63 8.130 8.130 7.785 0.345 18518 9100 1 14 . 1 1 64 64 ILE N N 64 118.528 118.528 119.603 -1.075 18518 9101 1 14 . 1 1 64 64 ILE HA H 64 3.369 3.369 3.617 -0.248 18518 9102 1 14 . 1 1 64 64 ILE C C 64 177.127 177.127 177.735 -0.608 18518 9103 1 14 . 1 1 64 64 ILE CA C 64 66.678 66.678 65.849 0.829 18518 9104 1 14 . 1 1 64 64 ILE CB C 64 38.444 38.444 37.645 0.799 18518 9105 1 14 . 1 1 64 64 ILE H H 64 8.488 8.488 8.678 -0.190 18518 9106 1 14 . 1 1 65 65 LYS N N 65 118.336 118.336 120.490 -2.154 18518 9107 1 14 . 1 1 65 65 LYS HA H 65 3.701 3.701 4.045 -0.344 18518 9108 1 14 . 1 1 65 65 LYS C C 65 179.291 179.291 179.204 0.087 18518 9109 1 14 . 1 1 65 65 LYS CA C 65 60.440 60.440 59.580 0.860 18518 9110 1 14 . 1 1 65 65 LYS CB C 65 32.371 32.371 32.131 0.240 18518 9111 1 14 . 1 1 65 65 LYS H H 65 7.347 7.347 7.748 -0.401 18518 9112 1 14 . 1 1 66 66 ILE N N 66 120.171 120.171 120.808 -0.637 18518 9113 1 14 . 1 1 66 66 ILE HA H 66 3.578 3.578 3.716 -0.138 18518 9114 1 14 . 1 1 66 66 ILE C C 66 178.873 178.873 178.183 0.690 18518 9115 1 14 . 1 1 66 66 ILE CA C 66 65.160 65.160 65.488 -0.328 18518 9116 1 14 . 1 1 66 66 ILE CB C 66 38.633 38.633 38.036 0.597 18518 9117 1 14 . 1 1 66 66 ILE H H 66 7.901 7.901 8.138 -0.237 18518 9118 1 14 . 1 1 67 67 ILE N N 67 121.185 121.185 120.719 0.466 18518 9119 1 14 . 1 1 67 67 ILE HA H 67 3.446 3.446 3.561 -0.115 18518 9120 1 14 . 1 1 67 67 ILE C C 67 177.150 177.150 177.627 -0.477 18518 9121 1 14 . 1 1 67 67 ILE CA C 67 62.806 62.806 64.483 -1.677 18518 9122 1 14 . 1 1 67 67 ILE CB C 67 34.995 34.995 37.352 -2.357 18518 9123 1 14 . 1 1 67 67 ILE H H 67 8.290 8.290 8.169 0.121 18518 9124 1 14 . 1 1 68 68 ARG N N 68 119.173 119.173 119.045 0.128 18518 9125 1 14 . 1 1 68 68 ARG HA H 68 2.931 2.931 3.780 -0.849 18518 9126 1 14 . 1 1 68 68 ARG C C 68 178.496 178.496 178.752 -0.256 18518 9127 1 14 . 1 1 68 68 ARG CA C 68 60.636 60.636 59.918 0.718 18518 9128 1 14 . 1 1 68 68 ARG CB C 68 30.440 30.440 29.959 0.482 18518 9129 1 14 . 1 1 68 68 ARG H H 68 8.438 8.438 8.402 0.036 18518 9130 1 14 . 1 1 69 69 ARG N N 69 116.511 116.511 118.799 -2.288 18518 9131 1 14 . 1 1 69 69 ARG HA H 69 4.134 4.134 3.957 0.177 18518 9132 1 14 . 1 1 69 69 ARG C C 69 180.262 180.262 178.596 1.666 18518 9133 1 14 . 1 1 69 69 ARG CA C 69 58.707 58.707 59.358 -0.651 18518 9134 1 14 . 1 1 69 69 ARG CB C 69 29.953 29.953 30.238 -0.285 18518 9135 1 14 . 1 1 69 69 ARG H H 69 7.497 7.497 8.127 -0.630 18518 9136 1 14 . 1 1 70 70 ARG N N 70 123.297 123.297 118.100 5.197 18518 9137 1 14 . 1 1 70 70 ARG HA H 70 4.016 4.016 4.120 -0.104 18518 9138 1 14 . 1 1 70 70 ARG C C 70 178.700 178.700 178.577 0.123 18518 9139 1 14 . 1 1 70 70 ARG CA C 70 59.460 59.460 58.550 0.910 18518 9140 1 14 . 1 1 70 70 ARG CB C 70 30.312 30.312 29.865 0.447 18518 9141 1 14 . 1 1 70 70 ARG H H 70 8.075 8.075 7.824 0.251 18518 9142 1 14 . 1 1 71 71 LEU N N 71 116.829 116.829 118.539 -1.710 18518 9143 1 14 . 1 1 71 71 LEU HA H 71 4.065 4.065 4.161 -0.096 18518 9144 1 14 . 1 1 71 71 LEU C C 71 174.956 174.956 176.672 -1.716 18518 9145 1 14 . 1 1 71 71 LEU CA C 71 55.126 55.126 55.705 -0.579 18518 9146 1 14 . 1 1 71 71 LEU CB C 71 43.246 43.246 41.219 2.027 18518 9147 1 14 . 1 1 71 71 LEU H H 71 7.719 7.719 8.190 -0.471 18518 9148 1 14 . 1 1 72 72 GLN N N 72 114.991 114.991 113.072 1.919 18518 9149 1 14 . 1 1 72 72 GLN HA H 72 3.836 3.836 3.901 -0.065 18518 9150 1 14 . 1 1 72 72 GLN C C 72 175.683 175.683 175.131 0.552 18518 9151 1 14 . 1 1 72 72 GLN CA C 72 56.325 56.325 56.094 0.231 18518 9152 1 14 . 1 1 72 72 GLN CB C 72 26.004 26.004 26.356 -0.352 18518 9153 1 14 . 1 1 72 72 GLN H H 72 7.744 7.744 7.635 0.109 18518 9154 1 14 . 1 1 73 73 LEU N N 73 115.045 115.045 118.859 -3.814 18518 9155 1 14 . 1 1 73 73 LEU HA H 73 4.236 4.236 4.060 0.176 18518 9156 1 14 . 1 1 73 73 LEU C C 73 178.762 178.762 177.324 1.438 18518 9157 1 14 . 1 1 73 73 LEU CA C 73 54.386 54.386 55.285 -0.899 18518 9158 1 14 . 1 1 73 73 LEU CB C 73 42.091 42.091 41.678 0.413 18518 9159 1 14 . 1 1 73 73 LEU H H 73 7.500 7.500 7.391 0.109 18518 9160 1 14 . 1 1 74 74 ASN N N 74 121.700 121.700 123.009 -1.309 18518 9161 1 14 . 1 1 74 74 ASN HA H 74 4.690 4.690 4.506 0.184 18518 9162 1 14 . 1 1 74 74 ASN C C 74 176.617 176.617 175.857 0.760 18518 9163 1 14 . 1 1 74 74 ASN CA C 74 52.685 52.685 53.895 -1.210 18518 9164 1 14 . 1 1 74 74 ASN CB C 74 39.598 39.598 39.759 -0.161 18518 9165 1 14 . 1 1 74 74 ASN H H 74 9.045 9.045 8.335 0.710 18518 9166 1 14 . 1 1 75 75 ALA N N 75 123.952 123.952 122.836 1.116 18518 9167 1 14 . 1 1 75 75 ALA HA H 75 3.964 3.964 4.321 -0.357 18518 9168 1 14 . 1 1 75 75 ALA C C 75 178.131 178.131 177.376 0.755 18518 9169 1 14 . 1 1 75 75 ALA CA C 75 54.868 54.868 53.177 1.691 18518 9170 1 14 . 1 1 75 75 ALA CB C 75 18.718 18.718 19.330 -0.612 18518 9171 1 14 . 1 1 75 75 ALA H H 75 8.784 8.784 8.632 0.152 18518 9172 1 14 . 1 1 76 76 ASN N N 76 112.295 112.295 116.065 -3.770 18518 9173 1 14 . 1 1 76 76 ASN HA H 76 4.580 4.580 4.632 -0.052 18518 9174 1 14 . 1 1 76 76 ASN C C 76 175.448 175.448 175.444 0.004 18518 9175 1 14 . 1 1 76 76 ASN CA C 76 53.214 53.214 53.657 -0.443 18518 9176 1 14 . 1 1 76 76 ASN CB C 76 38.320 38.320 38.804 -0.484 18518 9177 1 14 . 1 1 76 76 ASN H H 76 8.391 8.391 8.218 0.173 18518 9178 1 14 . 1 1 77 77 GLN N N 77 120.577 120.577 118.874 1.703 18518 9179 1 14 . 1 1 77 77 GLN HA H 77 4.273 4.273 4.525 -0.252 18518 9180 1 14 . 1 1 77 77 GLN C C 77 175.045 175.045 174.174 0.871 18518 9181 1 14 . 1 1 77 77 GLN CA C 77 55.805 55.805 54.989 0.816 18518 9182 1 14 . 1 1 77 77 GLN CB C 77 30.157 30.157 30.422 -0.265 18518 9183 1 14 . 1 1 77 77 GLN H H 77 7.552 7.552 7.523 0.029 18518 9184 1 14 . 1 1 78 78 ALA N N 78 130.670 130.670 124.689 5.981 18518 9185 1 14 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.571 -0.400 18518 9186 1 14 . 1 1 78 78 ALA C C 78 176.512 176.512 175.701 0.811 18518 9187 1 14 . 1 1 78 78 ALA CA C 78 52.842 52.842 51.392 1.450 18518 9188 1 14 . 1 1 78 78 ALA CB C 78 20.060 20.060 21.206 -1.146 18518 9189 1 14 . 1 1 78 78 ALA H H 78 8.799 8.799 8.585 0.214 18518 9190 1 14 . 1 1 79 79 PHE N N 79 119.325 119.325 115.149 4.176 18518 9191 1 14 . 1 1 79 79 PHE HA H 79 4.434 4.434 4.826 -0.392 18518 9192 1 14 . 1 1 79 79 PHE C C 79 171.726 171.726 172.938 -1.212 18518 9193 1 14 . 1 1 79 79 PHE CA C 79 59.145 59.145 56.880 2.265 18518 9194 1 14 . 1 1 79 79 PHE CB C 79 42.171 42.171 41.414 0.757 18518 9195 1 14 . 1 1 79 79 PHE H H 79 7.664 7.664 7.855 -0.191 18518 9196 1 14 . 1 1 80 80 PHE N N 80 126.314 126.314 120.322 5.992 18518 9197 1 14 . 1 1 80 80 PHE HA H 80 4.392 4.392 4.562 -0.170 18518 9198 1 14 . 1 1 80 80 PHE C C 80 177.169 177.169 173.539 3.630 18518 9199 1 14 . 1 1 80 80 PHE CA C 80 56.653 56.653 56.742 -0.089 18518 9200 1 14 . 1 1 80 80 PHE CB C 80 41.933 41.933 42.805 -0.872 18518 9201 1 14 . 1 1 80 80 PHE H H 80 8.508 8.508 9.403 -0.895 18518 9202 1 14 . 1 1 81 81 LEU N N 81 121.426 121.426 122.864 -1.438 18518 9203 1 14 . 1 1 81 81 LEU HA H 81 4.851 4.851 5.157 -0.306 18518 9204 1 14 . 1 1 81 81 LEU C C 81 174.488 174.488 175.216 -0.728 18518 9205 1 14 . 1 1 81 81 LEU CA C 81 53.197 53.197 53.911 -0.714 18518 9206 1 14 . 1 1 81 81 LEU CB C 81 45.100 45.100 43.960 1.140 18518 9207 1 14 . 1 1 81 81 LEU H H 81 8.229 8.229 8.718 -0.489 18518 9208 1 14 . 1 1 82 82 LEU N N 82 125.155 125.155 127.022 -1.867 18518 9209 1 14 . 1 1 82 82 LEU HA H 82 4.833 4.833 4.489 0.344 18518 9210 1 14 . 1 1 82 82 LEU C C 82 177.166 177.166 175.520 1.646 18518 9211 1 14 . 1 1 82 82 LEU CA C 82 54.197 54.197 54.083 0.114 18518 9212 1 14 . 1 1 82 82 LEU CB C 82 43.442 43.442 43.404 0.038 18518 9213 1 14 . 1 1 82 82 LEU H H 82 9.400 9.400 9.089 0.311 18518 9214 1 14 . 1 1 83 83 VAL N N 83 123.886 123.886 121.503 2.383 18518 9215 1 14 . 1 1 83 83 VAL HA H 83 4.379 4.379 4.120 0.259 18518 9216 1 14 . 1 1 83 83 VAL C C 83 175.810 175.810 176.027 -0.217 18518 9217 1 14 . 1 1 83 83 VAL CA C 83 61.677 61.677 62.031 -0.354 18518 9218 1 14 . 1 1 83 83 VAL CB C 83 33.758 33.758 32.304 1.454 18518 9219 1 14 . 1 1 83 83 VAL H H 83 8.721 8.721 8.473 0.248 18518 9220 1 14 . 1 1 84 84 ASN N N 84 126.474 126.474 125.377 1.097 18518 9221 1 14 . 1 1 84 84 ASN HA H 84 4.396 4.396 4.479 -0.083 18518 9222 1 14 . 1 1 84 84 ASN C C 84 175.164 175.164 175.045 0.119 18518 9223 1 14 . 1 1 84 84 ASN CA C 84 54.738 54.738 54.758 -0.020 18518 9224 1 14 . 1 1 84 84 ASN CB C 84 37.950 37.950 38.015 -0.065 18518 9225 1 14 . 1 1 84 84 ASN H H 84 9.707 9.707 9.568 0.139 18518 9226 1 14 . 1 1 85 85 GLY N N 85 101.296 101.296 104.172 -2.876 18518 9227 1 14 . 1 1 85 85 GLY C C 85 173.680 173.680 173.193 0.487 18518 9228 1 14 . 1 1 85 85 GLY CA C 85 45.603 45.603 44.895 0.708 18518 9229 1 14 . 1 1 85 85 GLY H H 85 8.644 8.644 8.338 0.306 18518 9230 1 14 . 1 1 86 86 HIS N N 86 117.238 117.238 116.290 0.948 18518 9231 1 14 . 1 1 86 86 HIS HA H 86 5.017 5.017 4.685 0.332 18518 9232 1 14 . 1 1 86 86 HIS C C 86 173.841 173.841 174.167 -0.326 18518 9233 1 14 . 1 1 86 86 HIS CA C 86 53.796 53.796 53.028 0.768 18518 9234 1 14 . 1 1 86 86 HIS CB C 86 31.280 31.280 31.411 -0.131 18518 9235 1 14 . 1 1 86 86 HIS H H 86 7.918 7.918 8.050 -0.132 18518 9236 1 14 . 1 1 87 87 SER N N 87 118.179 118.179 120.662 -2.483 18518 9237 1 14 . 1 1 87 87 SER HA H 87 4.699 4.699 4.474 0.225 18518 9238 1 14 . 1 1 87 87 SER C C 87 175.904 175.904 174.318 1.586 18518 9239 1 14 . 1 1 87 87 SER CA C 87 58.271 58.271 58.231 0.040 18518 9240 1 14 . 1 1 87 87 SER CB C 87 63.735 63.735 61.877 1.859 18518 9241 1 14 . 1 1 87 87 SER H H 87 8.977 8.977 8.844 0.133 18518 9242 1 14 . 1 1 88 88 MET N N 88 125.472 125.472 124.050 1.422 18518 9243 1 14 . 1 1 88 88 MET HA H 88 4.830 4.830 4.703 0.127 18518 9244 1 14 . 1 1 88 88 MET C C 88 176.419 176.419 175.042 1.377 18518 9245 1 14 . 1 1 88 88 MET CA C 88 54.899 54.899 54.982 -0.083 18518 9246 1 14 . 1 1 88 88 MET CB C 88 33.336 33.336 33.226 0.110 18518 9247 1 14 . 1 1 88 88 MET H H 88 9.184 9.184 8.038 1.146 18518 9248 1 14 . 1 1 89 89 VAL N N 89 120.747 120.747 122.006 -1.259 18518 9249 1 14 . 1 1 89 89 VAL HA H 89 4.232 4.232 4.252 -0.020 18518 9250 1 14 . 1 1 89 89 VAL C C 89 175.958 175.958 175.866 0.092 18518 9251 1 14 . 1 1 89 89 VAL CA C 89 63.154 63.154 61.489 1.665 18518 9252 1 14 . 1 1 89 89 VAL CB C 89 31.878 31.878 33.768 -1.890 18518 9253 1 14 . 1 1 89 89 VAL H H 89 8.233 8.233 7.570 0.663 18518 9254 1 14 . 1 1 90 90 SER N N 90 117.362 117.362 119.685 -2.323 18518 9255 1 14 . 1 1 90 90 SER HA H 90 4.590 4.590 4.666 -0.076 18518 9256 1 14 . 1 1 90 90 SER C C 90 175.741 175.741 176.220 -0.479 18518 9257 1 14 . 1 1 90 90 SER CA C 90 57.717 57.717 57.700 0.017 18518 9258 1 14 . 1 1 90 90 SER CB C 90 63.223 63.223 64.162 -0.938 18518 9259 1 14 . 1 1 90 90 SER H H 90 8.482 8.482 8.638 -0.156 18518 9260 1 14 . 1 1 91 91 VAL N N 91 120.466 120.466 119.942 0.524 18518 9261 1 14 . 1 1 91 91 VAL HA H 91 4.047 4.047 3.814 0.233 18518 9262 1 14 . 1 1 91 91 VAL C C 91 176.329 176.329 176.445 -0.116 18518 9263 1 14 . 1 1 91 91 VAL CA C 91 63.492 63.492 64.728 -1.236 18518 9264 1 14 . 1 1 91 91 VAL CB C 91 32.568 32.568 31.864 0.704 18518 9265 1 14 . 1 1 91 91 VAL H H 91 8.188 8.188 8.596 -0.408 18518 9266 1 14 . 1 1 92 92 SER N N 92 116.398 116.398 113.819 2.579 18518 9267 1 14 . 1 1 92 92 SER HA H 92 4.636 4.636 4.496 0.140 18518 9268 1 14 . 1 1 92 92 SER C C 92 174.159 174.159 175.094 -0.935 18518 9269 1 14 . 1 1 92 92 SER CA C 92 57.805 57.805 59.350 -1.546 18518 9270 1 14 . 1 1 92 92 SER CB C 92 63.046 63.046 63.210 -0.164 18518 9271 1 14 . 1 1 92 92 SER H H 92 8.370 8.370 8.135 0.235 18518 9272 1 14 . 1 1 93 93 THR N N 93 119.211 119.211 120.805 -1.594 18518 9273 1 14 . 1 1 93 93 THR HA H 93 4.484 4.484 4.375 0.109 18518 9274 1 14 . 1 1 93 93 THR CA C 93 60.884 60.884 62.190 -1.306 18518 9275 1 14 . 1 1 93 93 THR CB C 93 70.609 70.609 68.938 1.671 18518 9276 1 14 . 1 1 93 93 THR H H 93 7.416 7.416 7.363 0.053 18518 9277 1 14 . 1 1 94 94 PRO HA H 94 4.440 4.440 4.555 -0.115 18518 9278 1 14 . 1 1 94 94 PRO C C 94 178.775 178.775 176.704 2.071 18518 9279 1 14 . 1 1 94 94 PRO CA C 94 62.943 62.943 62.626 0.317 18518 9280 1 14 . 1 1 94 94 PRO CB C 94 32.649 32.649 32.397 0.252 18518 9281 1 14 . 1 1 95 95 ILE N N 95 124.174 124.174 124.746 -0.572 18518 9282 1 14 . 1 1 95 95 ILE HA H 95 3.949 3.949 3.801 0.148 18518 9283 1 14 . 1 1 95 95 ILE C C 95 176.498 176.498 177.030 -0.532 18518 9284 1 14 . 1 1 95 95 ILE CA C 95 63.904 63.904 62.066 1.838 18518 9285 1 14 . 1 1 95 95 ILE CB C 95 38.182 38.182 37.962 0.220 18518 9286 1 14 . 1 1 95 95 ILE H H 95 9.305 9.305 8.175 1.130 18518 9287 1 14 . 1 1 96 96 SER N N 96 116.920 116.920 116.134 0.786 18518 9288 1 14 . 1 1 96 96 SER HA H 96 4.029 4.029 4.069 -0.040 18518 9289 1 14 . 1 1 96 96 SER C C 96 176.574 176.574 176.200 0.374 18518 9290 1 14 . 1 1 96 96 SER CA C 96 61.356 61.356 62.597 -1.241 18518 9291 1 14 . 1 1 96 96 SER CB C 96 61.723 61.723 62.867 -1.144 18518 9292 1 14 . 1 1 96 96 SER H H 96 8.335 8.335 8.415 -0.080 18518 9293 1 14 . 1 1 97 97 GLU N N 97 123.255 123.255 121.463 1.792 18518 9294 1 14 . 1 1 97 97 GLU HA H 97 4.278 4.278 4.171 0.107 18518 9295 1 14 . 1 1 97 97 GLU C C 97 179.716 179.716 179.038 0.678 18518 9296 1 14 . 1 1 97 97 GLU CA C 97 58.792 58.792 59.031 -0.239 18518 9297 1 14 . 1 1 97 97 GLU CB C 97 29.562 29.562 29.146 0.416 18518 9298 1 14 . 1 1 97 97 GLU H H 97 7.376 7.376 7.787 -0.411 18518 9299 1 14 . 1 1 98 98 VAL N N 98 121.137 121.137 121.004 0.133 18518 9300 1 14 . 1 1 98 98 VAL HA H 98 3.802 3.802 3.598 0.204 18518 9301 1 14 . 1 1 98 98 VAL C C 98 177.637 177.637 177.894 -0.257 18518 9302 1 14 . 1 1 98 98 VAL CA C 98 65.824 65.824 66.830 -1.006 18518 9303 1 14 . 1 1 98 98 VAL CB C 98 32.154 32.154 31.644 0.510 18518 9304 1 14 . 1 1 98 98 VAL H H 98 7.387 7.387 7.753 -0.366 18518 9305 1 14 . 1 1 99 99 TYR N N 99 118.927 118.927 121.301 -2.374 18518 9306 1 14 . 1 1 99 99 TYR HA H 99 3.990 3.990 3.985 0.005 18518 9307 1 14 . 1 1 99 99 TYR C C 99 176.081 176.081 176.852 -0.771 18518 9308 1 14 . 1 1 99 99 TYR CA C 99 62.223 62.223 61.928 0.295 18518 9309 1 14 . 1 1 99 99 TYR CB C 99 38.982 38.982 38.593 0.389 18518 9310 1 14 . 1 1 99 99 TYR H H 99 9.048 9.048 8.394 0.654 18518 9311 1 14 . 1 1 100 100 GLU N N 100 113.894 113.894 117.012 -3.118 18518 9312 1 14 . 1 1 100 100 GLU HA H 100 3.846 3.846 3.881 -0.035 18518 9313 1 14 . 1 1 100 100 GLU C C 100 177.989 177.989 178.576 -0.587 18518 9314 1 14 . 1 1 100 100 GLU CA C 100 59.087 59.087 58.683 0.404 18518 9315 1 14 . 1 1 100 100 GLU CB C 100 29.382 29.382 29.226 0.156 18518 9316 1 14 . 1 1 100 100 GLU H H 100 7.422 7.422 8.159 -0.737 18518 9317 1 14 . 1 1 101 101 SER N N 101 108.991 108.991 114.870 -5.879 18518 9318 1 14 . 1 1 101 101 SER HA H 101 4.524 4.524 4.369 0.155 18518 9319 1 14 . 1 1 101 101 SER C C 101 176.628 176.628 175.374 1.254 18518 9320 1 14 . 1 1 101 101 SER CA C 101 60.349 60.349 60.689 -0.340 18518 9321 1 14 . 1 1 101 101 SER CB C 101 64.741 64.741 63.900 0.841 18518 9322 1 14 . 1 1 101 101 SER H H 101 7.424 7.424 7.830 -0.406 18518 9323 1 14 . 1 1 102 102 GLU N N 102 116.533 116.533 119.181 -2.648 18518 9324 1 14 . 1 1 102 102 GLU HA H 102 4.744 4.744 4.608 0.136 18518 9325 1 14 . 1 1 102 102 GLU C C 102 176.774 176.774 175.528 1.246 18518 9326 1 14 . 1 1 102 102 GLU CA C 102 55.581 55.581 55.180 0.401 18518 9327 1 14 . 1 1 102 102 GLU CB C 102 30.697 30.697 30.314 0.384 18518 9328 1 14 . 1 1 102 102 GLU H H 102 8.487 8.487 7.839 0.648 18518 9329 1 14 . 1 1 103 103 LYS N N 103 118.370 118.370 119.882 -1.512 18518 9330 1 14 . 1 1 103 103 LYS HA H 103 4.178 4.178 3.742 0.436 18518 9331 1 14 . 1 1 103 103 LYS C C 103 175.018 175.018 176.636 -1.618 18518 9332 1 14 . 1 1 103 103 LYS CA C 103 57.329 57.329 56.668 0.661 18518 9333 1 14 . 1 1 103 103 LYS CB C 103 32.186 32.186 31.170 1.016 18518 9334 1 14 . 1 1 103 103 LYS H H 103 7.831 7.831 7.533 0.298 18518 9335 1 14 . 1 1 104 104 ASP N N 104 123.500 123.500 124.442 -0.942 18518 9336 1 14 . 1 1 104 104 ASP HA H 104 4.755 4.755 4.561 0.194 18518 9337 1 14 . 1 1 104 104 ASP C C 104 177.383 177.383 177.762 -0.379 18518 9338 1 14 . 1 1 104 104 ASP CA C 104 53.846 53.846 54.010 -0.164 18518 9339 1 14 . 1 1 104 104 ASP CB C 104 43.411 43.411 42.570 0.841 18518 9340 1 14 . 1 1 104 104 ASP H H 104 9.041 9.041 7.943 1.098 18518 9341 1 14 . 1 1 105 105 GLU N N 105 125.448 125.448 119.021 6.427 18518 9342 1 14 . 1 1 105 105 GLU HA H 105 4.180 4.180 4.083 0.097 18518 9343 1 14 . 1 1 105 105 GLU C C 105 177.519 177.519 176.923 0.596 18518 9344 1 14 . 1 1 105 105 GLU CA C 105 59.529 59.529 59.040 0.489 18518 9345 1 14 . 1 1 105 105 GLU CB C 105 30.044 30.044 29.628 0.416 18518 9346 1 14 . 1 1 105 105 GLU H H 105 8.906 8.906 8.774 0.132 18518 9347 1 14 . 1 1 106 106 ASP N N 106 118.824 118.824 119.156 -0.332 18518 9348 1 14 . 1 1 106 106 ASP HA H 106 4.179 4.179 4.548 -0.369 18518 9349 1 14 . 1 1 106 106 ASP C C 106 176.223 176.223 176.790 -0.567 18518 9350 1 14 . 1 1 106 106 ASP CA C 106 54.756 54.756 54.775 -0.019 18518 9351 1 14 . 1 1 106 106 ASP CB C 106 39.999 39.999 40.899 -0.900 18518 9352 1 14 . 1 1 106 106 ASP H H 106 10.036 10.036 8.347 1.689 18518 9353 1 14 . 1 1 107 107 GLY N N 107 105.866 105.866 106.129 -0.263 18518 9354 1 14 . 1 1 107 107 GLY C C 107 175.136 175.136 174.321 0.815 18518 9355 1 14 . 1 1 107 107 GLY CA C 107 45.222 45.222 45.062 0.160 18518 9356 1 14 . 1 1 107 107 GLY H H 107 8.001 8.001 7.840 0.161 18518 9357 1 14 . 1 1 108 108 PHE N N 108 123.820 123.820 120.164 3.656 18518 9358 1 14 . 1 1 108 108 PHE HA H 108 4.662 4.662 4.463 0.199 18518 9359 1 14 . 1 1 108 108 PHE C C 108 174.899 174.899 174.893 0.006 18518 9360 1 14 . 1 1 108 108 PHE CA C 108 60.238 60.238 58.268 1.970 18518 9361 1 14 . 1 1 108 108 PHE CB C 108 40.365 40.365 39.803 0.562 18518 9362 1 14 . 1 1 108 108 PHE H H 108 9.912 9.912 7.663 2.249 18518 9363 1 14 . 1 1 109 109 LEU N N 109 120.130 120.130 122.199 -2.069 18518 9364 1 14 . 1 1 109 109 LEU HA H 109 5.030 5.030 4.659 0.371 18518 9365 1 14 . 1 1 109 109 LEU C C 109 173.916 173.916 174.839 -0.923 18518 9366 1 14 . 1 1 109 109 LEU CA C 109 53.424 53.424 53.501 -0.077 18518 9367 1 14 . 1 1 109 109 LEU CB C 109 45.203 45.203 43.644 1.559 18518 9368 1 14 . 1 1 109 109 LEU H H 109 7.997 7.997 8.565 -0.568 18518 9369 1 14 . 1 1 110 110 TYR N N 110 126.579 126.579 126.101 0.478 18518 9370 1 14 . 1 1 110 110 TYR HA H 110 5.003 5.003 4.622 0.381 18518 9371 1 14 . 1 1 110 110 TYR C C 110 176.671 176.671 175.024 1.647 18518 9372 1 14 . 1 1 110 110 TYR CA C 110 59.058 59.058 58.330 0.729 18518 9373 1 14 . 1 1 110 110 TYR CB C 110 39.556 39.556 38.615 0.941 18518 9374 1 14 . 1 1 110 110 TYR H H 110 9.377 9.377 8.896 0.481 18518 9375 1 14 . 1 1 111 111 MET N N 111 119.240 119.240 121.770 -2.530 18518 9376 1 14 . 1 1 111 111 MET HA H 111 5.486 5.486 5.296 0.190 18518 9377 1 14 . 1 1 111 111 MET C C 111 175.695 175.695 174.552 1.143 18518 9378 1 14 . 1 1 111 111 MET CA C 111 54.124 54.124 54.700 -0.576 18518 9379 1 14 . 1 1 111 111 MET CB C 111 36.960 36.960 37.624 -0.664 18518 9380 1 14 . 1 1 111 111 MET H H 111 9.658 9.658 9.276 0.382 18518 9381 1 14 . 1 1 112 112 VAL N N 112 119.865 119.865 119.221 0.644 18518 9382 1 14 . 1 1 112 112 VAL HA H 112 5.963 5.963 5.463 0.500 18518 9383 1 14 . 1 1 112 112 VAL C C 112 175.058 175.058 174.505 0.553 18518 9384 1 14 . 1 1 112 112 VAL CA C 112 58.911 58.911 59.625 -0.714 18518 9385 1 14 . 1 1 112 112 VAL CB C 112 36.051 36.051 35.412 0.639 18518 9386 1 14 . 1 1 112 112 VAL H H 112 8.794 8.794 9.088 -0.294 18518 9387 1 14 . 1 1 113 113 TYR N N 113 119.664 119.664 119.918 -0.254 18518 9388 1 14 . 1 1 113 113 TYR HA H 113 6.118 6.118 5.806 0.311 18518 9389 1 14 . 1 1 113 113 TYR C C 113 173.375 173.375 173.341 0.034 18518 9390 1 14 . 1 1 113 113 TYR CA C 113 54.153 54.153 55.354 -1.201 18518 9391 1 14 . 1 1 113 113 TYR CB C 113 43.312 43.312 42.027 1.285 18518 9392 1 14 . 1 1 113 113 TYR H H 113 8.315 8.315 8.548 -0.233 18518 9393 1 14 . 1 1 114 114 ALA N N 114 119.763 119.763 122.970 -3.207 18518 9394 1 14 . 1 1 114 114 ALA HA H 114 4.800 4.800 5.006 -0.206 18518 9395 1 14 . 1 1 114 114 ALA C C 114 176.216 176.216 175.263 0.953 18518 9396 1 14 . 1 1 114 114 ALA CA C 114 51.132 51.132 51.913 -0.782 18518 9397 1 14 . 1 1 114 114 ALA CB C 114 24.596 24.596 22.232 2.364 18518 9398 1 14 . 1 1 114 114 ALA H H 114 8.465 8.465 9.095 -0.630 18518 9399 1 14 . 1 1 115 115 SER N N 115 114.763 114.763 115.958 -1.195 18518 9400 1 14 . 1 1 115 115 SER HA H 115 4.496 4.496 4.881 -0.385 18518 9401 1 14 . 1 1 115 115 SER C C 115 172.671 172.671 173.835 -1.164 18518 9402 1 14 . 1 1 115 115 SER CA C 115 58.651 58.651 57.722 0.929 18518 9403 1 14 . 1 1 115 115 SER CB C 115 63.526 63.526 62.194 1.332 18518 9404 1 14 . 1 1 115 115 SER H H 115 9.915 9.915 9.175 0.740 18518 9405 1 14 . 1 1 116 116 GLN N N 116 116.611 116.611 123.977 -7.366 18518 9406 1 14 . 1 1 116 116 GLN HA H 116 4.484 4.484 4.556 -0.072 18518 9407 1 14 . 1 1 116 116 GLN C C 116 172.733 172.733 174.001 -1.268 18518 9408 1 14 . 1 1 116 116 GLN CA C 116 53.926 53.926 55.985 -2.059 18518 9409 1 14 . 1 1 116 116 GLN CB C 116 32.358 32.358 31.551 0.807 18518 9410 1 14 . 1 1 116 116 GLN H H 116 7.219 7.219 8.238 -1.019 18518 9411 1 14 . 1 1 117 117 GLU N N 117 117.623 117.623 121.102 -3.479 18518 9412 1 14 . 1 1 117 117 GLU HA H 117 3.287 3.287 2.768 0.519 18518 9413 1 14 . 1 1 117 117 GLU C C 117 175.168 175.168 175.640 -0.472 18518 9414 1 14 . 1 1 117 117 GLU CA C 117 56.882 56.882 56.669 0.213 18518 9415 1 14 . 1 1 117 117 GLU CB C 117 30.522 30.522 29.802 0.720 18518 9416 1 14 . 1 1 117 117 GLU H H 117 7.882 7.882 8.635 -0.753 18518 9417 1 14 . 1 1 118 118 THR N N 118 109.820 109.820 109.610 0.210 18518 9418 1 14 . 1 1 118 118 THR HA H 118 4.066 4.066 4.497 -0.431 18518 9419 1 14 . 1 1 118 118 THR C C 118 172.355 172.355 174.121 -1.766 18518 9420 1 14 . 1 1 118 118 THR CA C 118 60.029 60.029 60.966 -0.937 18518 9421 1 14 . 1 1 118 118 THR CB C 118 70.480 70.480 69.764 0.716 18518 9422 1 14 . 1 1 118 118 THR H H 118 6.992 6.992 7.378 -0.386 18518 9423 1 15 . 1 1 2 2 ALA HA H 2 4.336 4.336 5.339 -1.003 18518 9424 1 15 . 1 1 2 2 ALA C C 2 177.974 177.974 176.604 1.370 18518 9425 1 15 . 1 1 2 2 ALA CA C 2 52.785 52.785 51.090 1.696 18518 9426 1 15 . 1 1 2 2 ALA CB C 2 19.444 19.444 20.873 -1.429 18518 9427 1 15 . 1 1 3 3 MET N N 3 119.311 119.311 120.034 -0.723 18518 9428 1 15 . 1 1 3 3 MET HA H 3 4.451 4.451 4.719 -0.268 18518 9429 1 15 . 1 1 3 3 MET C C 3 176.913 176.913 176.045 0.868 18518 9430 1 15 . 1 1 3 3 MET CA C 3 55.679 55.679 55.036 0.643 18518 9431 1 15 . 1 1 3 3 MET CB C 3 32.590 32.590 35.500 -2.910 18518 9432 1 15 . 1 1 3 3 MET H H 3 8.638 8.638 8.585 0.053 18518 9433 1 15 . 1 1 4 4 GLY N N 4 110.281 110.281 110.490 -0.209 18518 9434 1 15 . 1 1 4 4 GLY C C 4 174.180 174.180 173.857 0.323 18518 9435 1 15 . 1 1 4 4 GLY CA C 4 45.495 45.495 44.971 0.524 18518 9436 1 15 . 1 1 4 4 GLY H H 4 8.552 8.552 8.610 -0.058 18518 9437 1 15 . 1 1 5 5 LYS N N 5 120.818 120.818 127.063 -6.245 18518 9438 1 15 . 1 1 5 5 LYS HA H 5 4.509 4.509 4.296 0.213 18518 9439 1 15 . 1 1 5 5 LYS C C 5 177.605 177.605 176.819 0.786 18518 9440 1 15 . 1 1 5 5 LYS CA C 5 56.134 56.134 55.683 0.451 18518 9441 1 15 . 1 1 5 5 LYS CB C 5 34.813 34.813 32.188 2.625 18518 9442 1 15 . 1 1 5 5 LYS H H 5 8.133 8.133 8.230 -0.097 18518 9443 1 15 . 1 1 6 6 THR N N 6 114.781 114.781 121.364 -6.583 18518 9444 1 15 . 1 1 6 6 THR HA H 6 4.421 4.421 4.346 0.075 18518 9445 1 15 . 1 1 6 6 THR C C 6 175.524 175.524 175.540 -0.016 18518 9446 1 15 . 1 1 6 6 THR CA C 6 61.127 61.127 62.145 -1.018 18518 9447 1 15 . 1 1 6 6 THR CB C 6 69.926 69.926 69.920 0.006 18518 9448 1 15 . 1 1 6 6 THR H H 6 8.483 8.483 7.955 0.528 18518 9449 1 15 . 1 1 7 7 PHE N N 7 125.552 125.552 125.005 0.547 18518 9450 1 15 . 1 1 7 7 PHE HA H 7 4.005 4.005 4.111 -0.106 18518 9451 1 15 . 1 1 7 7 PHE C C 7 177.397 177.397 176.601 0.796 18518 9452 1 15 . 1 1 7 7 PHE CA C 7 63.393 63.393 61.488 1.905 18518 9453 1 15 . 1 1 7 7 PHE CB C 7 39.567 39.567 38.756 0.811 18518 9454 1 15 . 1 1 7 7 PHE H H 7 10.245 10.245 9.002 1.243 18518 9455 1 15 . 1 1 8 8 LYS N N 8 114.053 114.053 117.885 -3.832 18518 9456 1 15 . 1 1 8 8 LYS HA H 8 3.835 3.835 3.351 0.484 18518 9457 1 15 . 1 1 8 8 LYS C C 8 175.520 175.520 178.167 -2.647 18518 9458 1 15 . 1 1 8 8 LYS CA C 8 59.993 59.993 58.555 1.438 18518 9459 1 15 . 1 1 8 8 LYS CB C 8 33.689 33.689 31.463 2.226 18518 9460 1 15 . 1 1 8 8 LYS H H 8 8.775 8.775 7.413 1.362 18518 9461 1 15 . 1 1 9 9 GLN N N 9 113.516 113.516 117.533 -4.017 18518 9462 1 15 . 1 1 9 9 GLN HA H 9 4.149 4.149 4.075 0.074 18518 9463 1 15 . 1 1 9 9 GLN C C 9 177.615 177.615 178.047 -0.432 18518 9464 1 15 . 1 1 9 9 GLN CA C 9 56.819 56.819 58.377 -1.558 18518 9465 1 15 . 1 1 9 9 GLN CB C 9 30.019 30.019 29.046 0.973 18518 9466 1 15 . 1 1 9 9 GLN H H 9 7.355 7.355 7.455 -0.100 18518 9467 1 15 . 1 1 10 10 ARG N N 10 118.294 118.294 116.892 1.402 18518 9468 1 15 . 1 1 10 10 ARG HA H 10 4.302 4.302 4.248 0.054 18518 9469 1 15 . 1 1 10 10 ARG C C 10 179.380 179.380 177.187 2.193 18518 9470 1 15 . 1 1 10 10 ARG CA C 10 57.268 57.268 57.304 -0.036 18518 9471 1 15 . 1 1 10 10 ARG CB C 10 31.642 31.642 30.689 0.953 18518 9472 1 15 . 1 1 10 10 ARG H H 10 7.936 7.936 7.814 0.122 18518 9473 1 15 . 1 1 11 11 ARG N N 11 121.137 121.137 120.045 1.092 18518 9474 1 15 . 1 1 11 11 ARG HA H 11 4.680 4.680 4.706 -0.026 18518 9475 1 15 . 1 1 11 11 ARG CA C 11 53.453 53.453 53.782 -0.329 18518 9476 1 15 . 1 1 11 11 ARG CB C 11 32.938 32.938 31.131 1.807 18518 9477 1 15 . 1 1 11 11 ARG H H 11 7.390 7.390 7.860 -0.470 18518 9478 1 15 . 1 1 12 12 THR N N 12 116.819 116.819 119.940 -3.121 18518 9479 1 15 . 1 1 12 12 THR HA H 12 4.359 4.359 4.293 0.066 18518 9480 1 15 . 1 1 12 12 THR C C 12 174.989 174.989 175.924 -0.935 18518 9481 1 15 . 1 1 12 12 THR CA C 12 61.748 61.748 62.715 -0.967 18518 9482 1 15 . 1 1 12 12 THR CB C 12 71.068 71.068 70.125 0.943 18518 9483 1 15 . 1 1 12 12 THR H H 12 8.953 8.953 8.753 0.200 18518 9484 1 15 . 1 1 13 13 PHE N N 13 123.200 123.200 123.608 -0.408 18518 9485 1 15 . 1 1 13 13 PHE HA H 13 4.028 4.028 4.177 -0.149 18518 9486 1 15 . 1 1 13 13 PHE C C 13 176.029 176.029 176.967 -0.938 18518 9487 1 15 . 1 1 13 13 PHE CA C 13 62.864 62.864 62.759 0.105 18518 9488 1 15 . 1 1 13 13 PHE CB C 13 39.560 39.560 39.352 0.207 18518 9489 1 15 . 1 1 13 13 PHE H H 13 9.284 9.284 8.989 0.295 18518 9490 1 15 . 1 1 14 14 GLU N N 14 115.414 115.414 117.573 -2.159 18518 9491 1 15 . 1 1 14 14 GLU HA H 14 3.794 3.794 3.984 -0.190 18518 9492 1 15 . 1 1 14 14 GLU C C 14 180.081 180.081 178.969 1.112 18518 9493 1 15 . 1 1 14 14 GLU CA C 14 60.619 60.619 59.555 1.064 18518 9494 1 15 . 1 1 14 14 GLU CB C 14 28.852 28.852 29.084 -0.232 18518 9495 1 15 . 1 1 14 14 GLU H H 14 8.973 8.973 8.843 0.130 18518 9496 1 15 . 1 1 15 15 GLN N N 15 119.276 119.276 118.650 0.626 18518 9497 1 15 . 1 1 15 15 GLN HA H 15 4.000 4.000 4.146 -0.146 18518 9498 1 15 . 1 1 15 15 GLN C C 15 177.978 177.978 178.280 -0.302 18518 9499 1 15 . 1 1 15 15 GLN CA C 15 58.835 58.835 58.402 0.433 18518 9500 1 15 . 1 1 15 15 GLN CB C 15 29.370 29.370 28.074 1.296 18518 9501 1 15 . 1 1 15 15 GLN H H 15 7.756 7.756 7.650 0.106 18518 9502 1 15 . 1 1 16 16 ARG N N 16 121.336 121.336 120.799 0.537 18518 9503 1 15 . 1 1 16 16 ARG HA H 16 4.270 4.270 4.329 -0.059 18518 9504 1 15 . 1 1 16 16 ARG C C 16 177.416 177.416 178.883 -1.467 18518 9505 1 15 . 1 1 16 16 ARG CA C 16 61.375 61.375 59.913 1.462 18518 9506 1 15 . 1 1 16 16 ARG CB C 16 30.605 30.605 30.349 0.256 18518 9507 1 15 . 1 1 16 16 ARG H H 16 8.645 8.645 8.072 0.573 18518 9508 1 15 . 1 1 17 17 VAL N N 17 117.630 117.630 119.954 -2.324 18518 9509 1 15 . 1 1 17 17 VAL HA H 17 3.857 3.857 3.587 0.270 18518 9510 1 15 . 1 1 17 17 VAL C C 17 179.748 179.748 178.039 1.709 18518 9511 1 15 . 1 1 17 17 VAL CA C 17 65.726 65.726 66.831 -1.105 18518 9512 1 15 . 1 1 17 17 VAL CB C 17 32.194 32.194 31.546 0.648 18518 9513 1 15 . 1 1 17 17 VAL H H 17 8.373 8.373 8.023 0.350 18518 9514 1 15 . 1 1 18 18 GLU N N 18 120.864 120.864 119.942 0.922 18518 9515 1 15 . 1 1 18 18 GLU HA H 18 4.302 4.302 3.929 0.373 18518 9516 1 15 . 1 1 18 18 GLU C C 18 177.728 177.728 178.642 -0.914 18518 9517 1 15 . 1 1 18 18 GLU CA C 18 58.486 58.486 59.915 -1.429 18518 9518 1 15 . 1 1 18 18 GLU CB C 18 29.382 29.382 29.477 -0.095 18518 9519 1 15 . 1 1 18 18 GLU H H 18 7.368 7.368 7.937 -0.569 18518 9520 1 15 . 1 1 19 19 ASP N N 19 121.425 121.425 120.563 0.862 18518 9521 1 15 . 1 1 19 19 ASP HA H 19 4.434 4.434 4.390 0.044 18518 9522 1 15 . 1 1 19 19 ASP C C 19 179.978 179.978 178.961 1.017 18518 9523 1 15 . 1 1 19 19 ASP CA C 19 57.422 57.422 57.470 -0.048 18518 9524 1 15 . 1 1 19 19 ASP CB C 19 41.287 41.287 40.629 0.658 18518 9525 1 15 . 1 1 19 19 ASP H H 19 8.671 8.671 8.533 0.138 18518 9526 1 15 . 1 1 20 20 VAL N N 20 119.730 119.730 120.104 -0.374 18518 9527 1 15 . 1 1 20 20 VAL HA H 20 3.205 3.205 3.415 -0.210 18518 9528 1 15 . 1 1 20 20 VAL C C 20 176.284 176.284 177.063 -0.779 18518 9529 1 15 . 1 1 20 20 VAL CA C 20 66.315 66.315 65.583 0.732 18518 9530 1 15 . 1 1 20 20 VAL CB C 20 31.107 31.107 31.170 -0.063 18518 9531 1 15 . 1 1 20 20 VAL H H 20 7.999 7.999 7.967 0.032 18518 9532 1 15 . 1 1 21 21 ARG N N 21 121.455 121.455 119.978 1.477 18518 9533 1 15 . 1 1 21 21 ARG HA H 21 3.814 3.814 3.925 -0.111 18518 9534 1 15 . 1 1 21 21 ARG C C 21 180.120 180.120 178.631 1.489 18518 9535 1 15 . 1 1 21 21 ARG CA C 21 59.830 59.830 58.921 0.909 18518 9536 1 15 . 1 1 21 21 ARG CB C 21 29.946 29.946 29.166 0.780 18518 9537 1 15 . 1 1 21 21 ARG H H 21 8.098 8.098 7.972 0.126 18518 9538 1 15 . 1 1 22 22 LEU N N 22 117.826 117.826 121.657 -3.831 18518 9539 1 15 . 1 1 22 22 LEU HA H 22 4.049 4.049 4.038 0.011 18518 9540 1 15 . 1 1 22 22 LEU C C 22 180.115 180.115 178.454 1.661 18518 9541 1 15 . 1 1 22 22 LEU CA C 22 57.790 57.790 57.968 -0.178 18518 9542 1 15 . 1 1 22 22 LEU CB C 22 42.142 42.142 41.458 0.684 18518 9543 1 15 . 1 1 22 22 LEU H H 22 8.207 8.207 8.322 -0.115 18518 9544 1 15 . 1 1 23 23 ILE N N 23 121.450 121.450 119.530 1.920 18518 9545 1 15 . 1 1 23 23 ILE HA H 23 4.013 4.013 3.715 0.298 18518 9546 1 15 . 1 1 23 23 ILE C C 23 178.149 178.149 178.055 0.094 18518 9547 1 15 . 1 1 23 23 ILE CA C 23 62.171 62.171 63.597 -1.426 18518 9548 1 15 . 1 1 23 23 ILE CB C 23 38.106 38.106 37.099 1.007 18518 9549 1 15 . 1 1 23 23 ILE H H 23 8.105 8.105 7.945 0.160 18518 9550 1 15 . 1 1 24 24 ARG N N 24 121.139 121.139 118.653 2.486 18518 9551 1 15 . 1 1 24 24 ARG HA H 24 3.987 3.987 4.049 -0.062 18518 9552 1 15 . 1 1 24 24 ARG C C 24 178.702 178.702 179.007 -0.305 18518 9553 1 15 . 1 1 24 24 ARG CA C 24 57.718 57.718 58.837 -1.119 18518 9554 1 15 . 1 1 24 24 ARG CB C 24 28.769 28.769 29.677 -0.908 18518 9555 1 15 . 1 1 24 24 ARG H H 24 8.601 8.601 8.164 0.437 18518 9556 1 15 . 1 1 25 25 GLU N N 25 118.054 118.054 119.182 -1.128 18518 9557 1 15 . 1 1 25 25 GLU HA H 25 4.026 4.026 4.140 -0.114 18518 9558 1 15 . 1 1 25 25 GLU C C 25 178.492 178.492 178.120 0.372 18518 9559 1 15 . 1 1 25 25 GLU CA C 25 58.780 58.780 58.390 0.390 18518 9560 1 15 . 1 1 25 25 GLU CB C 25 30.001 30.001 29.481 0.520 18518 9561 1 15 . 1 1 25 25 GLU H H 25 7.423 7.423 7.800 -0.377 18518 9562 1 15 . 1 1 26 26 GLN N N 26 116.350 116.350 116.982 -0.632 18518 9563 1 15 . 1 1 26 26 GLN HA H 26 3.936 3.936 4.012 -0.076 18518 9564 1 15 . 1 1 26 26 GLN C C 26 176.305 176.305 176.793 -0.488 18518 9565 1 15 . 1 1 26 26 GLN CA C 26 57.503 57.503 57.412 0.091 18518 9566 1 15 . 1 1 26 26 GLN CB C 26 30.207 30.207 29.266 0.941 18518 9567 1 15 . 1 1 26 26 GLN H H 26 7.524 7.524 7.727 -0.203 18518 9568 1 15 . 1 1 27 27 HIS N N 27 116.017 116.017 118.241 -2.224 18518 9569 1 15 . 1 1 27 27 HIS HA H 27 4.930 4.930 5.161 -0.231 18518 9570 1 15 . 1 1 27 27 HIS CA C 27 53.054 53.054 52.688 0.366 18518 9571 1 15 . 1 1 27 27 HIS CB C 27 30.747 30.747 30.719 0.028 18518 9572 1 15 . 1 1 27 27 HIS H H 27 8.284 8.284 8.237 0.047 18518 9573 1 15 . 1 1 28 28 PRO HA H 28 4.581 4.581 4.613 -0.032 18518 9574 1 15 . 1 1 28 28 PRO CA C 28 64.919 64.919 64.237 0.682 18518 9575 1 15 . 1 1 28 28 PRO CB C 28 32.455 32.455 32.066 0.389 18518 9576 1 15 . 1 1 29 29 THR N N 29 107.011 107.011 106.665 0.346 18518 9577 1 15 . 1 1 29 29 THR HA H 29 4.599 4.599 4.650 -0.051 18518 9578 1 15 . 1 1 29 29 THR C C 29 172.884 172.884 173.970 -1.086 18518 9579 1 15 . 1 1 29 29 THR CA C 29 60.810 60.810 61.328 -0.518 18518 9580 1 15 . 1 1 29 29 THR CB C 29 68.531 68.531 69.051 -0.520 18518 9581 1 15 . 1 1 29 29 THR H H 29 7.890 7.890 8.230 -0.340 18518 9582 1 15 . 1 1 30 30 LYS N N 30 117.679 117.679 121.822 -4.143 18518 9583 1 15 . 1 1 30 30 LYS HA H 30 4.858 4.858 5.053 -0.195 18518 9584 1 15 . 1 1 30 30 LYS C C 30 174.310 174.310 175.054 -0.744 18518 9585 1 15 . 1 1 30 30 LYS CA C 30 53.751 53.751 54.026 -0.276 18518 9586 1 15 . 1 1 30 30 LYS CB C 30 35.804 35.804 35.889 -0.085 18518 9587 1 15 . 1 1 30 30 LYS H H 30 7.441 7.441 7.778 -0.337 18518 9588 1 15 . 1 1 31 31 ILE N N 31 122.849 122.849 123.657 -0.808 18518 9589 1 15 . 1 1 31 31 ILE HA H 31 4.105 4.105 4.349 -0.244 18518 9590 1 15 . 1 1 31 31 ILE CA C 31 54.801 54.801 58.210 -3.409 18518 9591 1 15 . 1 1 31 31 ILE CB C 31 38.265 38.265 39.417 -1.152 18518 9592 1 15 . 1 1 31 31 ILE H H 31 9.304 9.304 9.046 0.258 18518 9593 1 15 . 1 1 32 32 PRO HA H 32 5.159 5.159 5.059 0.100 18518 9594 1 15 . 1 1 32 32 PRO C C 32 174.164 174.164 176.454 -2.290 18518 9595 1 15 . 1 1 32 32 PRO CA C 32 61.503 61.503 62.280 -0.777 18518 9596 1 15 . 1 1 32 32 PRO CB C 32 31.145 31.145 30.568 0.577 18518 9597 1 15 . 1 1 33 33 VAL N N 33 125.606 125.606 120.063 5.543 18518 9598 1 15 . 1 1 33 33 VAL HA H 33 5.213 5.213 5.207 0.006 18518 9599 1 15 . 1 1 33 33 VAL C C 33 173.654 173.654 174.192 -0.538 18518 9600 1 15 . 1 1 33 33 VAL CA C 33 60.044 60.044 58.985 1.059 18518 9601 1 15 . 1 1 33 33 VAL CB C 33 35.604 35.604 35.298 0.306 18518 9602 1 15 . 1 1 33 33 VAL H H 33 9.424 9.424 8.730 0.694 18518 9603 1 15 . 1 1 34 34 ILE N N 34 128.241 128.241 125.706 2.535 18518 9604 1 15 . 1 1 34 34 ILE HA H 34 4.833 4.833 4.693 0.140 18518 9605 1 15 . 1 1 34 34 ILE C C 34 175.605 175.605 174.974 0.631 18518 9606 1 15 . 1 1 34 34 ILE CA C 34 56.765 56.765 57.946 -1.181 18518 9607 1 15 . 1 1 34 34 ILE CB C 34 36.799 36.799 37.038 -0.239 18518 9608 1 15 . 1 1 34 34 ILE H H 34 8.721 8.721 9.033 -0.312 18518 9609 1 15 . 1 1 35 35 ILE N N 35 125.650 125.650 128.807 -3.157 18518 9610 1 15 . 1 1 35 35 ILE HA H 35 4.836 4.836 4.596 0.240 18518 9611 1 15 . 1 1 35 35 ILE C C 35 174.887 174.887 174.768 0.119 18518 9612 1 15 . 1 1 35 35 ILE CA C 35 60.945 60.945 60.507 0.438 18518 9613 1 15 . 1 1 35 35 ILE CB C 35 39.210 39.210 39.356 -0.146 18518 9614 1 15 . 1 1 35 35 ILE H H 35 9.034 9.034 8.819 0.215 18518 9615 1 15 . 1 1 36 36 GLU N N 36 122.657 122.657 126.873 -4.216 18518 9616 1 15 . 1 1 36 36 GLU HA H 36 4.861 4.861 4.905 -0.044 18518 9617 1 15 . 1 1 36 36 GLU C C 36 173.848 173.848 174.845 -0.997 18518 9618 1 15 . 1 1 36 36 GLU CA C 36 53.932 53.932 54.186 -0.254 18518 9619 1 15 . 1 1 36 36 GLU CB C 36 35.282 35.282 34.350 0.932 18518 9620 1 15 . 1 1 36 36 GLU H H 36 8.303 8.303 8.529 -0.226 18518 9621 1 15 . 1 1 37 37 ARG N N 37 123.228 123.228 127.149 -3.921 18518 9622 1 15 . 1 1 37 37 ARG HA H 37 2.726 2.726 3.822 -1.096 18518 9623 1 15 . 1 1 37 37 ARG C C 37 176.359 176.359 175.519 0.840 18518 9624 1 15 . 1 1 37 37 ARG CA C 37 56.359 56.359 56.566 -0.207 18518 9625 1 15 . 1 1 37 37 ARG CB C 37 31.341 31.341 30.607 0.734 18518 9626 1 15 . 1 1 37 37 ARG H H 37 8.856 8.856 8.787 0.069 18518 9627 1 15 . 1 1 38 38 TYR N N 38 128.981 128.981 127.664 1.317 18518 9628 1 15 . 1 1 38 38 TYR HA H 38 4.352 4.352 4.345 0.007 18518 9629 1 15 . 1 1 38 38 TYR C C 38 177.316 177.316 176.644 0.672 18518 9630 1 15 . 1 1 38 38 TYR CA C 38 57.712 57.712 58.139 -0.427 18518 9631 1 15 . 1 1 38 38 TYR CB C 38 39.472 39.472 40.301 -0.829 18518 9632 1 15 . 1 1 38 38 TYR H H 38 8.628 8.628 8.315 0.313 18518 9633 1 15 . 1 1 39 39 LYS N N 39 130.635 130.635 124.069 6.566 18518 9634 1 15 . 1 1 39 39 LYS HA H 39 3.822 3.822 3.861 -0.039 18518 9635 1 15 . 1 1 39 39 LYS CA C 39 58.887 58.887 58.172 0.715 18518 9636 1 15 . 1 1 39 39 LYS CB C 39 31.771 31.771 31.895 -0.124 18518 9637 1 15 . 1 1 39 39 LYS H H 39 8.594 8.594 7.666 0.928 18518 9638 1 15 . 1 1 40 40 GLY C C 40 173.447 173.447 173.361 0.086 18518 9639 1 15 . 1 1 40 40 GLY CA C 40 44.663 44.663 44.254 0.409 18518 9640 1 15 . 1 1 40 40 GLY H H 40 5.188 5.188 6.742 -1.554 18518 9641 1 15 . 1 1 41 41 GLU N N 41 122.836 122.836 120.802 2.034 18518 9642 1 15 . 1 1 41 41 GLU HA H 41 4.257 4.257 4.228 0.029 18518 9643 1 15 . 1 1 41 41 GLU C C 41 176.524 176.524 175.817 0.707 18518 9644 1 15 . 1 1 41 41 GLU CA C 41 56.525 56.525 57.003 -0.478 18518 9645 1 15 . 1 1 41 41 GLU CB C 41 30.985 30.985 29.041 1.944 18518 9646 1 15 . 1 1 41 41 GLU H H 41 7.380 7.380 7.306 0.074 18518 9647 1 15 . 1 1 42 42 LYS N N 42 124.040 124.040 124.570 -0.530 18518 9648 1 15 . 1 1 42 42 LYS HA H 42 4.675 4.675 4.470 0.205 18518 9649 1 15 . 1 1 42 42 LYS C C 42 177.538 177.538 176.707 0.831 18518 9650 1 15 . 1 1 42 42 LYS CA C 42 55.840 55.840 56.532 -0.692 18518 9651 1 15 . 1 1 42 42 LYS CB C 42 34.979 34.979 33.001 1.978 18518 9652 1 15 . 1 1 42 42 LYS H H 42 9.034 9.034 8.470 0.564 18518 9653 1 15 . 1 1 43 43 GLN N N 43 119.259 119.259 118.738 0.521 18518 9654 1 15 . 1 1 43 43 GLN HA H 43 4.542 4.542 4.410 0.132 18518 9655 1 15 . 1 1 43 43 GLN C C 43 177.336 177.336 175.981 1.355 18518 9656 1 15 . 1 1 43 43 GLN CA C 43 57.673 57.673 56.310 1.363 18518 9657 1 15 . 1 1 43 43 GLN CB C 43 30.782 30.782 29.015 1.767 18518 9658 1 15 . 1 1 43 43 GLN H H 43 8.435 8.435 8.411 0.024 18518 9659 1 15 . 1 1 44 44 LEU N N 44 120.760 120.760 123.220 -2.460 18518 9660 1 15 . 1 1 44 44 LEU HA H 44 4.695 4.695 4.709 -0.014 18518 9661 1 15 . 1 1 44 44 LEU CA C 44 53.245 53.245 52.002 1.243 18518 9662 1 15 . 1 1 44 44 LEU CB C 44 43.596 43.596 42.199 1.397 18518 9663 1 15 . 1 1 44 44 LEU H H 44 9.126 9.126 7.661 1.465 18518 9664 1 15 . 1 1 45 45 PRO HA H 45 4.717 4.717 4.601 0.116 18518 9665 1 15 . 1 1 45 45 PRO C C 45 175.797 175.797 176.098 -0.301 18518 9666 1 15 . 1 1 45 45 PRO CA C 45 62.111 62.111 62.361 -0.250 18518 9667 1 15 . 1 1 45 45 PRO CB C 45 32.592 32.592 32.230 0.362 18518 9668 1 15 . 1 1 46 46 VAL N N 46 119.052 119.052 121.148 -2.096 18518 9669 1 15 . 1 1 46 46 VAL HA H 46 3.867 3.867 4.585 -0.718 18518 9670 1 15 . 1 1 46 46 VAL C C 46 175.640 175.640 177.122 -1.482 18518 9671 1 15 . 1 1 46 46 VAL CA C 46 62.944 62.944 61.830 1.114 18518 9672 1 15 . 1 1 46 46 VAL CB C 46 32.799 32.799 32.244 0.555 18518 9673 1 15 . 1 1 46 46 VAL H H 46 8.543 8.543 8.330 0.213 18518 9674 1 15 . 1 1 47 47 LEU N N 47 130.203 130.203 127.350 2.853 18518 9675 1 15 . 1 1 47 47 LEU HA H 47 4.309 4.309 4.248 0.061 18518 9676 1 15 . 1 1 47 47 LEU C C 47 176.198 176.198 177.654 -1.456 18518 9677 1 15 . 1 1 47 47 LEU CA C 47 55.006 55.006 55.229 -0.223 18518 9678 1 15 . 1 1 47 47 LEU CB C 47 43.832 43.832 42.658 1.174 18518 9679 1 15 . 1 1 47 47 LEU H H 47 7.799 7.799 8.460 -0.661 18518 9680 1 15 . 1 1 48 48 ASP N N 48 122.403 122.403 123.710 -1.307 18518 9681 1 15 . 1 1 48 48 ASP HA H 48 4.263 4.263 4.513 -0.250 18518 9682 1 15 . 1 1 48 48 ASP C C 48 175.294 175.294 175.650 -0.356 18518 9683 1 15 . 1 1 48 48 ASP CA C 48 55.832 55.832 55.615 0.217 18518 9684 1 15 . 1 1 48 48 ASP CB C 48 40.184 40.184 41.361 -1.177 18518 9685 1 15 . 1 1 48 48 ASP H H 48 8.780 8.780 8.621 0.159 18518 9686 1 15 . 1 1 49 49 LYS N N 49 119.569 119.569 115.989 3.580 18518 9687 1 15 . 1 1 49 49 LYS HA H 49 4.585 4.585 4.455 0.130 18518 9688 1 15 . 1 1 49 49 LYS C C 49 174.678 174.678 175.202 -0.524 18518 9689 1 15 . 1 1 49 49 LYS CA C 49 53.652 53.652 54.788 -1.136 18518 9690 1 15 . 1 1 49 49 LYS CB C 49 35.945 35.945 34.026 1.919 18518 9691 1 15 . 1 1 49 49 LYS H H 49 7.280 7.280 7.530 -0.250 18518 9692 1 15 . 1 1 50 50 THR N N 50 110.862 110.862 114.200 -3.338 18518 9693 1 15 . 1 1 50 50 THR HA H 50 4.811 4.811 4.727 0.084 18518 9694 1 15 . 1 1 50 50 THR C C 50 172.425 172.425 173.957 -1.532 18518 9695 1 15 . 1 1 50 50 THR CA C 50 62.645 62.645 62.735 -0.090 18518 9696 1 15 . 1 1 50 50 THR CB C 50 71.648 71.648 70.363 1.285 18518 9697 1 15 . 1 1 50 50 THR H H 50 8.042 8.042 8.142 -0.100 18518 9698 1 15 . 1 1 51 51 LYS N N 51 120.008 120.008 121.679 -1.671 18518 9699 1 15 . 1 1 51 51 LYS HA H 51 4.625 4.625 4.447 0.178 18518 9700 1 15 . 1 1 51 51 LYS C C 51 175.082 175.082 175.816 -0.734 18518 9701 1 15 . 1 1 51 51 LYS CA C 51 54.704 54.704 56.119 -1.415 18518 9702 1 15 . 1 1 51 51 LYS CB C 51 32.376 32.376 33.055 -0.679 18518 9703 1 15 . 1 1 51 51 LYS H H 51 7.119 7.119 7.306 -0.187 18518 9704 1 15 . 1 1 52 52 PHE N N 52 122.640 122.640 123.542 -0.902 18518 9705 1 15 . 1 1 52 52 PHE HA H 52 5.337 5.337 4.729 0.608 18518 9706 1 15 . 1 1 52 52 PHE C C 52 174.213 174.213 174.316 -0.103 18518 9707 1 15 . 1 1 52 52 PHE CA C 52 56.611 56.611 56.660 -0.049 18518 9708 1 15 . 1 1 52 52 PHE CB C 52 43.140 43.140 43.336 -0.196 18518 9709 1 15 . 1 1 52 52 PHE H H 52 9.709 9.709 9.182 0.527 18518 9710 1 15 . 1 1 53 53 LEU N N 53 122.157 122.157 122.418 -0.261 18518 9711 1 15 . 1 1 53 53 LEU HA H 53 4.947 4.947 5.061 -0.114 18518 9712 1 15 . 1 1 53 53 LEU C C 53 175.769 175.769 175.852 -0.083 18518 9713 1 15 . 1 1 53 53 LEU CA C 53 52.957 52.957 53.768 -0.811 18518 9714 1 15 . 1 1 53 53 LEU CB C 53 44.415 44.415 43.739 0.676 18518 9715 1 15 . 1 1 53 53 LEU H H 53 8.959 8.959 8.432 0.527 18518 9716 1 15 . 1 1 54 54 VAL N N 54 124.919 124.919 125.061 -0.142 18518 9717 1 15 . 1 1 54 54 VAL HA H 54 4.559 4.559 4.556 0.003 18518 9718 1 15 . 1 1 54 54 VAL CA C 54 59.130 59.130 58.461 0.669 18518 9719 1 15 . 1 1 54 54 VAL CB C 54 34.968 34.968 33.463 1.505 18518 9720 1 15 . 1 1 54 54 VAL H H 54 8.922 8.922 8.774 0.148 18518 9721 1 15 . 1 1 55 55 PRO HA H 55 4.441 4.441 4.735 -0.294 18518 9722 1 15 . 1 1 55 55 PRO C C 55 176.594 176.594 177.822 -1.228 18518 9723 1 15 . 1 1 55 55 PRO CA C 55 64.315 64.315 62.077 2.239 18518 9724 1 15 . 1 1 55 55 PRO CB C 55 32.665 32.665 31.453 1.212 18518 9725 1 15 . 1 1 56 56 ASP N N 56 120.522 120.522 122.540 -2.018 18518 9726 1 15 . 1 1 56 56 ASP HA H 56 3.862 3.862 4.257 -0.395 18518 9727 1 15 . 1 1 56 56 ASP C C 56 175.809 175.809 176.412 -0.603 18518 9728 1 15 . 1 1 56 56 ASP CA C 56 56.749 56.749 56.085 0.664 18518 9729 1 15 . 1 1 56 56 ASP CB C 56 40.510 40.510 40.479 0.031 18518 9730 1 15 . 1 1 56 56 ASP H H 56 8.347 8.347 8.637 -0.290 18518 9731 1 15 . 1 1 57 57 HIS N N 57 113.482 113.482 113.372 0.110 18518 9732 1 15 . 1 1 57 57 HIS HA H 57 4.720 4.720 4.814 -0.094 18518 9733 1 15 . 1 1 57 57 HIS C C 57 176.507 176.507 175.439 1.068 18518 9734 1 15 . 1 1 57 57 HIS CA C 57 55.589 55.589 55.394 0.195 18518 9735 1 15 . 1 1 57 57 HIS CB C 57 30.643 30.643 29.981 0.662 18518 9736 1 15 . 1 1 57 57 HIS H H 57 7.557 7.557 7.579 -0.022 18518 9737 1 15 . 1 1 58 58 VAL N N 58 123.279 123.279 121.492 1.787 18518 9738 1 15 . 1 1 58 58 VAL HA H 58 3.836 3.836 4.172 -0.336 18518 9739 1 15 . 1 1 58 58 VAL C C 58 175.019 175.019 174.280 0.739 18518 9740 1 15 . 1 1 58 58 VAL CA C 58 62.823 62.823 59.893 2.930 18518 9741 1 15 . 1 1 58 58 VAL CB C 58 32.310 32.310 34.587 -2.277 18518 9742 1 15 . 1 1 58 58 VAL H H 58 7.345 7.345 7.548 -0.203 18518 9743 1 15 . 1 1 59 59 ASN N N 59 123.781 123.781 121.401 2.380 18518 9744 1 15 . 1 1 59 59 ASN HA H 59 5.126 5.126 5.055 0.071 18518 9745 1 15 . 1 1 59 59 ASN C C 59 176.558 176.558 176.311 0.247 18518 9746 1 15 . 1 1 59 59 ASN CA C 59 51.485 51.485 52.051 -0.566 18518 9747 1 15 . 1 1 59 59 ASN CB C 59 40.107 40.107 40.356 -0.249 18518 9748 1 15 . 1 1 59 59 ASN H H 59 8.735 8.735 8.280 0.455 18518 9749 1 15 . 1 1 60 60 MET N N 60 117.453 117.453 119.043 -1.590 18518 9750 1 15 . 1 1 60 60 MET HA H 60 4.395 4.395 4.028 0.367 18518 9751 1 15 . 1 1 60 60 MET C C 60 178.144 178.144 178.177 -0.033 18518 9752 1 15 . 1 1 60 60 MET CA C 60 57.097 57.097 59.763 -2.666 18518 9753 1 15 . 1 1 60 60 MET CB C 60 30.140 30.140 32.173 -2.033 18518 9754 1 15 . 1 1 60 60 MET H H 60 8.227 8.227 8.632 -0.405 18518 9755 1 15 . 1 1 61 61 SER N N 61 114.216 114.216 116.210 -1.994 18518 9756 1 15 . 1 1 61 61 SER HA H 61 4.111 4.111 4.043 0.068 18518 9757 1 15 . 1 1 61 61 SER C C 61 177.335 177.335 176.889 0.446 18518 9758 1 15 . 1 1 61 61 SER CA C 61 61.590 61.590 61.769 -0.179 18518 9759 1 15 . 1 1 61 61 SER CB C 61 62.402 62.402 62.608 -0.206 18518 9760 1 15 . 1 1 61 61 SER H H 61 8.464 8.464 8.416 0.048 18518 9761 1 15 . 1 1 62 62 GLU N N 62 123.004 123.004 121.006 1.998 18518 9762 1 15 . 1 1 62 62 GLU HA H 62 4.047 4.047 4.135 -0.088 18518 9763 1 15 . 1 1 62 62 GLU C C 62 178.686 178.686 178.766 -0.080 18518 9764 1 15 . 1 1 62 62 GLU CA C 62 58.625 58.625 58.755 -0.130 18518 9765 1 15 . 1 1 62 62 GLU CB C 62 29.654 29.654 29.415 0.239 18518 9766 1 15 . 1 1 62 62 GLU H H 62 7.994 7.994 7.627 0.367 18518 9767 1 15 . 1 1 63 63 LEU N N 63 120.818 120.818 121.987 -1.169 18518 9768 1 15 . 1 1 63 63 LEU HA H 63 3.965 3.965 3.998 -0.033 18518 9769 1 15 . 1 1 63 63 LEU C C 63 178.046 178.046 178.600 -0.554 18518 9770 1 15 . 1 1 63 63 LEU CA C 63 57.920 57.920 58.053 -0.133 18518 9771 1 15 . 1 1 63 63 LEU CB C 63 41.624 41.624 41.331 0.293 18518 9772 1 15 . 1 1 63 63 LEU H H 63 8.130 8.130 7.783 0.347 18518 9773 1 15 . 1 1 64 64 ILE N N 64 118.528 118.528 119.487 -0.959 18518 9774 1 15 . 1 1 64 64 ILE HA H 64 3.369 3.369 3.454 -0.085 18518 9775 1 15 . 1 1 64 64 ILE C C 64 177.127 177.127 177.913 -0.786 18518 9776 1 15 . 1 1 64 64 ILE CA C 64 66.678 66.678 66.026 0.652 18518 9777 1 15 . 1 1 64 64 ILE CB C 64 38.444 38.444 37.418 1.026 18518 9778 1 15 . 1 1 64 64 ILE H H 64 8.488 8.488 8.546 -0.058 18518 9779 1 15 . 1 1 65 65 LYS N N 65 118.336 118.336 120.526 -2.190 18518 9780 1 15 . 1 1 65 65 LYS HA H 65 3.701 3.701 3.961 -0.260 18518 9781 1 15 . 1 1 65 65 LYS C C 65 179.291 179.291 179.181 0.110 18518 9782 1 15 . 1 1 65 65 LYS CA C 65 60.440 60.440 59.947 0.493 18518 9783 1 15 . 1 1 65 65 LYS CB C 65 32.371 32.371 32.340 0.031 18518 9784 1 15 . 1 1 65 65 LYS H H 65 7.347 7.347 7.766 -0.419 18518 9785 1 15 . 1 1 66 66 ILE N N 66 120.171 120.171 120.271 -0.100 18518 9786 1 15 . 1 1 66 66 ILE HA H 66 3.578 3.578 3.665 -0.087 18518 9787 1 15 . 1 1 66 66 ILE C C 66 178.873 178.873 178.173 0.700 18518 9788 1 15 . 1 1 66 66 ILE CA C 66 65.160 65.160 65.525 -0.365 18518 9789 1 15 . 1 1 66 66 ILE CB C 66 38.633 38.633 37.991 0.642 18518 9790 1 15 . 1 1 66 66 ILE H H 66 7.901 7.901 8.251 -0.350 18518 9791 1 15 . 1 1 67 67 ILE N N 67 121.185 121.185 120.392 0.793 18518 9792 1 15 . 1 1 67 67 ILE HA H 67 3.446 3.446 3.562 -0.116 18518 9793 1 15 . 1 1 67 67 ILE C C 67 177.150 177.150 177.928 -0.778 18518 9794 1 15 . 1 1 67 67 ILE CA C 67 62.806 62.806 64.548 -1.742 18518 9795 1 15 . 1 1 67 67 ILE CB C 67 34.995 34.995 37.321 -2.326 18518 9796 1 15 . 1 1 67 67 ILE H H 67 8.290 8.290 8.245 0.045 18518 9797 1 15 . 1 1 68 68 ARG N N 68 119.173 119.173 118.949 0.224 18518 9798 1 15 . 1 1 68 68 ARG HA H 68 2.931 2.931 3.802 -0.871 18518 9799 1 15 . 1 1 68 68 ARG C C 68 178.496 178.496 178.692 -0.196 18518 9800 1 15 . 1 1 68 68 ARG CA C 68 60.636 60.636 59.711 0.925 18518 9801 1 15 . 1 1 68 68 ARG CB C 68 30.440 30.440 29.722 0.718 18518 9802 1 15 . 1 1 68 68 ARG H H 68 8.438 8.438 8.432 0.006 18518 9803 1 15 . 1 1 69 69 ARG N N 69 116.511 116.511 120.279 -3.768 18518 9804 1 15 . 1 1 69 69 ARG HA H 69 4.134 4.134 4.006 0.128 18518 9805 1 15 . 1 1 69 69 ARG C C 69 180.262 180.262 179.097 1.165 18518 9806 1 15 . 1 1 69 69 ARG CA C 69 58.707 58.707 59.584 -0.877 18518 9807 1 15 . 1 1 69 69 ARG CB C 69 29.953 29.953 30.099 -0.146 18518 9808 1 15 . 1 1 69 69 ARG H H 69 7.497 7.497 8.337 -0.840 18518 9809 1 15 . 1 1 70 70 ARG N N 70 123.297 123.297 119.639 3.658 18518 9810 1 15 . 1 1 70 70 ARG HA H 70 4.016 4.016 4.090 -0.074 18518 9811 1 15 . 1 1 70 70 ARG C C 70 178.700 178.700 178.292 0.408 18518 9812 1 15 . 1 1 70 70 ARG CA C 70 59.460 59.460 58.704 0.756 18518 9813 1 15 . 1 1 70 70 ARG CB C 70 30.312 30.312 29.606 0.706 18518 9814 1 15 . 1 1 70 70 ARG H H 70 8.075 8.075 7.881 0.194 18518 9815 1 15 . 1 1 71 71 LEU N N 71 116.829 116.829 118.811 -1.982 18518 9816 1 15 . 1 1 71 71 LEU HA H 71 4.065 4.065 4.251 -0.186 18518 9817 1 15 . 1 1 71 71 LEU C C 71 174.956 174.956 175.883 -0.927 18518 9818 1 15 . 1 1 71 71 LEU CA C 71 55.126 55.126 55.054 0.072 18518 9819 1 15 . 1 1 71 71 LEU CB C 71 43.246 43.246 42.399 0.847 18518 9820 1 15 . 1 1 71 71 LEU H H 71 7.719 7.719 7.905 -0.186 18518 9821 1 15 . 1 1 72 72 GLN N N 72 114.991 114.991 114.805 0.186 18518 9822 1 15 . 1 1 72 72 GLN HA H 72 3.836 3.836 3.937 -0.101 18518 9823 1 15 . 1 1 72 72 GLN C C 72 175.683 175.683 175.325 0.358 18518 9824 1 15 . 1 1 72 72 GLN CA C 72 56.325 56.325 56.387 -0.062 18518 9825 1 15 . 1 1 72 72 GLN CB C 72 26.004 26.004 25.686 0.319 18518 9826 1 15 . 1 1 72 72 GLN H H 72 7.744 7.744 7.506 0.238 18518 9827 1 15 . 1 1 73 73 LEU N N 73 115.045 115.045 119.493 -4.448 18518 9828 1 15 . 1 1 73 73 LEU HA H 73 4.236 4.236 4.044 0.192 18518 9829 1 15 . 1 1 73 73 LEU C C 73 178.762 178.762 177.129 1.633 18518 9830 1 15 . 1 1 73 73 LEU CA C 73 54.386 54.386 55.354 -0.968 18518 9831 1 15 . 1 1 73 73 LEU CB C 73 42.091 42.091 42.004 0.087 18518 9832 1 15 . 1 1 73 73 LEU H H 73 7.500 7.500 7.977 -0.477 18518 9833 1 15 . 1 1 74 74 ASN N N 74 121.700 121.700 122.355 -0.655 18518 9834 1 15 . 1 1 74 74 ASN HA H 74 4.690 4.690 4.560 0.130 18518 9835 1 15 . 1 1 74 74 ASN C C 74 176.617 176.617 175.741 0.876 18518 9836 1 15 . 1 1 74 74 ASN CA C 74 52.685 52.685 53.600 -0.915 18518 9837 1 15 . 1 1 74 74 ASN CB C 74 39.598 39.598 39.682 -0.084 18518 9838 1 15 . 1 1 74 74 ASN H H 74 9.045 9.045 8.557 0.488 18518 9839 1 15 . 1 1 75 75 ALA N N 75 123.952 123.952 121.338 2.614 18518 9840 1 15 . 1 1 75 75 ALA HA H 75 3.964 3.964 4.323 -0.359 18518 9841 1 15 . 1 1 75 75 ALA C C 75 178.131 178.131 177.599 0.532 18518 9842 1 15 . 1 1 75 75 ALA CA C 75 54.868 54.868 53.525 1.343 18518 9843 1 15 . 1 1 75 75 ALA CB C 75 18.718 18.718 19.719 -1.001 18518 9844 1 15 . 1 1 75 75 ALA H H 75 8.784 8.784 8.419 0.365 18518 9845 1 15 . 1 1 76 76 ASN N N 76 112.295 112.295 116.018 -3.723 18518 9846 1 15 . 1 1 76 76 ASN HA H 76 4.580 4.580 4.553 0.027 18518 9847 1 15 . 1 1 76 76 ASN C C 76 175.448 175.448 175.524 -0.076 18518 9848 1 15 . 1 1 76 76 ASN CA C 76 53.214 53.214 53.970 -0.756 18518 9849 1 15 . 1 1 76 76 ASN CB C 76 38.320 38.320 38.758 -0.438 18518 9850 1 15 . 1 1 76 76 ASN H H 76 8.391 8.391 8.262 0.129 18518 9851 1 15 . 1 1 77 77 GLN N N 77 120.577 120.577 118.374 2.203 18518 9852 1 15 . 1 1 77 77 GLN HA H 77 4.273 4.273 4.619 -0.346 18518 9853 1 15 . 1 1 77 77 GLN C C 77 175.045 175.045 174.124 0.921 18518 9854 1 15 . 1 1 77 77 GLN CA C 77 55.805 55.805 54.813 0.992 18518 9855 1 15 . 1 1 77 77 GLN CB C 77 30.157 30.157 30.395 -0.239 18518 9856 1 15 . 1 1 77 77 GLN H H 77 7.552 7.552 7.464 0.088 18518 9857 1 15 . 1 1 78 78 ALA N N 78 130.670 130.670 123.659 7.011 18518 9858 1 15 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.619 -0.448 18518 9859 1 15 . 1 1 78 78 ALA C C 78 176.512 176.512 175.276 1.236 18518 9860 1 15 . 1 1 78 78 ALA CA C 78 52.842 52.842 51.166 1.677 18518 9861 1 15 . 1 1 78 78 ALA CB C 78 20.060 20.060 21.647 -1.587 18518 9862 1 15 . 1 1 78 78 ALA H H 78 8.799 8.799 8.801 -0.002 18518 9863 1 15 . 1 1 79 79 PHE N N 79 119.325 119.325 117.385 1.940 18518 9864 1 15 . 1 1 79 79 PHE HA H 79 4.434 4.434 5.498 -1.064 18518 9865 1 15 . 1 1 79 79 PHE C C 79 171.726 171.726 172.844 -1.118 18518 9866 1 15 . 1 1 79 79 PHE CA C 79 59.145 59.145 54.219 4.926 18518 9867 1 15 . 1 1 79 79 PHE CB C 79 42.171 42.171 41.879 0.292 18518 9868 1 15 . 1 1 79 79 PHE H H 79 7.664 7.664 8.311 -0.647 18518 9869 1 15 . 1 1 80 80 PHE N N 80 126.314 126.314 118.020 8.294 18518 9870 1 15 . 1 1 80 80 PHE HA H 80 4.392 4.392 4.838 -0.446 18518 9871 1 15 . 1 1 80 80 PHE C C 80 177.169 177.169 173.278 3.891 18518 9872 1 15 . 1 1 80 80 PHE CA C 80 56.653 56.653 56.327 0.326 18518 9873 1 15 . 1 1 80 80 PHE CB C 80 41.933 41.933 42.847 -0.914 18518 9874 1 15 . 1 1 80 80 PHE H H 80 8.508 8.508 9.137 -0.629 18518 9875 1 15 . 1 1 81 81 LEU N N 81 121.426 121.426 121.898 -0.472 18518 9876 1 15 . 1 1 81 81 LEU HA H 81 4.851 4.851 4.876 -0.025 18518 9877 1 15 . 1 1 81 81 LEU C C 81 174.488 174.488 175.046 -0.558 18518 9878 1 15 . 1 1 81 81 LEU CA C 81 53.197 53.197 53.707 -0.510 18518 9879 1 15 . 1 1 81 81 LEU CB C 81 45.100 45.100 44.246 0.854 18518 9880 1 15 . 1 1 81 81 LEU H H 81 8.229 8.229 8.665 -0.436 18518 9881 1 15 . 1 1 82 82 LEU N N 82 125.155 125.155 128.938 -3.783 18518 9882 1 15 . 1 1 82 82 LEU HA H 82 4.833 4.833 4.588 0.245 18518 9883 1 15 . 1 1 82 82 LEU C C 82 177.166 177.166 175.338 1.828 18518 9884 1 15 . 1 1 82 82 LEU CA C 82 54.197 54.197 54.231 -0.034 18518 9885 1 15 . 1 1 82 82 LEU CB C 82 43.442 43.442 43.541 -0.099 18518 9886 1 15 . 1 1 82 82 LEU H H 82 9.400 9.400 9.293 0.107 18518 9887 1 15 . 1 1 83 83 VAL N N 83 123.886 123.886 124.374 -0.488 18518 9888 1 15 . 1 1 83 83 VAL HA H 83 4.379 4.379 4.205 0.174 18518 9889 1 15 . 1 1 83 83 VAL C C 83 175.810 175.810 176.784 -0.974 18518 9890 1 15 . 1 1 83 83 VAL CA C 83 61.677 61.677 62.332 -0.655 18518 9891 1 15 . 1 1 83 83 VAL CB C 83 33.758 33.758 31.445 2.313 18518 9892 1 15 . 1 1 83 83 VAL H H 83 8.721 8.721 8.734 -0.013 18518 9893 1 15 . 1 1 84 84 ASN N N 84 126.474 126.474 126.713 -0.239 18518 9894 1 15 . 1 1 84 84 ASN HA H 84 4.396 4.396 4.578 -0.182 18518 9895 1 15 . 1 1 84 84 ASN C C 84 175.164 175.164 174.922 0.242 18518 9896 1 15 . 1 1 84 84 ASN CA C 84 54.738 54.738 54.923 -0.185 18518 9897 1 15 . 1 1 84 84 ASN CB C 84 37.950 37.950 37.877 0.073 18518 9898 1 15 . 1 1 84 84 ASN H H 84 9.707 9.707 9.621 0.086 18518 9899 1 15 . 1 1 85 85 GLY N N 85 101.296 101.296 103.976 -2.680 18518 9900 1 15 . 1 1 85 85 GLY C C 85 173.680 173.680 173.070 0.610 18518 9901 1 15 . 1 1 85 85 GLY CA C 85 45.603 45.603 44.675 0.929 18518 9902 1 15 . 1 1 85 85 GLY H H 85 8.644 8.644 8.209 0.435 18518 9903 1 15 . 1 1 86 86 HIS N N 86 117.238 117.238 119.244 -2.006 18518 9904 1 15 . 1 1 86 86 HIS HA H 86 5.017 5.017 4.644 0.373 18518 9905 1 15 . 1 1 86 86 HIS C C 86 173.841 173.841 173.852 -0.011 18518 9906 1 15 . 1 1 86 86 HIS CA C 86 53.796 53.796 54.296 -0.500 18518 9907 1 15 . 1 1 86 86 HIS CB C 86 31.280 31.280 31.883 -0.603 18518 9908 1 15 . 1 1 86 86 HIS H H 86 7.918 7.918 8.250 -0.332 18518 9909 1 15 . 1 1 87 87 SER N N 87 118.179 118.179 119.499 -1.320 18518 9910 1 15 . 1 1 87 87 SER HA H 87 4.699 4.699 4.654 0.045 18518 9911 1 15 . 1 1 87 87 SER C C 87 175.904 175.904 174.598 1.306 18518 9912 1 15 . 1 1 87 87 SER CA C 87 58.271 58.271 57.818 0.453 18518 9913 1 15 . 1 1 87 87 SER CB C 87 63.735 63.735 62.451 1.284 18518 9914 1 15 . 1 1 87 87 SER H H 87 8.977 8.977 8.683 0.294 18518 9915 1 15 . 1 1 88 88 MET N N 88 125.472 125.472 121.083 4.389 18518 9916 1 15 . 1 1 88 88 MET HA H 88 4.830 4.830 4.676 0.154 18518 9917 1 15 . 1 1 88 88 MET C C 88 176.419 176.419 176.232 0.187 18518 9918 1 15 . 1 1 88 88 MET CA C 88 54.899 54.899 55.151 -0.252 18518 9919 1 15 . 1 1 88 88 MET CB C 88 33.336 33.336 33.722 -0.386 18518 9920 1 15 . 1 1 88 88 MET H H 88 9.184 9.184 7.826 1.358 18518 9921 1 15 . 1 1 89 89 VAL N N 89 120.747 120.747 122.209 -1.462 18518 9922 1 15 . 1 1 89 89 VAL HA H 89 4.232 4.232 4.091 0.141 18518 9923 1 15 . 1 1 89 89 VAL C C 89 175.958 175.958 175.049 0.909 18518 9924 1 15 . 1 1 89 89 VAL CA C 89 63.154 63.154 62.078 1.076 18518 9925 1 15 . 1 1 89 89 VAL CB C 89 31.878 31.878 32.626 -0.748 18518 9926 1 15 . 1 1 89 89 VAL H H 89 8.233 8.233 7.757 0.476 18518 9927 1 15 . 1 1 90 90 SER N N 90 117.362 117.362 121.490 -4.128 18518 9928 1 15 . 1 1 90 90 SER HA H 90 4.590 4.590 4.698 -0.108 18518 9929 1 15 . 1 1 90 90 SER C C 90 175.741 175.741 176.166 -0.425 18518 9930 1 15 . 1 1 90 90 SER CA C 90 57.717 57.717 57.392 0.326 18518 9931 1 15 . 1 1 90 90 SER CB C 90 63.223 63.223 64.241 -1.018 18518 9932 1 15 . 1 1 90 90 SER H H 90 8.482 8.482 8.368 0.114 18518 9933 1 15 . 1 1 91 91 VAL N N 91 120.466 120.466 122.159 -1.693 18518 9934 1 15 . 1 1 91 91 VAL HA H 91 4.047 4.047 3.707 0.340 18518 9935 1 15 . 1 1 91 91 VAL C C 91 176.329 176.329 176.738 -0.409 18518 9936 1 15 . 1 1 91 91 VAL CA C 91 63.492 63.492 65.199 -1.707 18518 9937 1 15 . 1 1 91 91 VAL CB C 91 32.568 32.568 31.677 0.891 18518 9938 1 15 . 1 1 91 91 VAL H H 91 8.188 8.188 8.700 -0.512 18518 9939 1 15 . 1 1 92 92 SER N N 92 116.398 116.398 114.547 1.851 18518 9940 1 15 . 1 1 92 92 SER HA H 92 4.636 4.636 4.386 0.250 18518 9941 1 15 . 1 1 92 92 SER C C 92 174.159 174.159 174.953 -0.794 18518 9942 1 15 . 1 1 92 92 SER CA C 92 57.805 57.805 59.432 -1.627 18518 9943 1 15 . 1 1 92 92 SER CB C 92 63.046 63.046 63.123 -0.077 18518 9944 1 15 . 1 1 92 92 SER H H 92 8.370 8.370 8.230 0.140 18518 9945 1 15 . 1 1 93 93 THR N N 93 119.211 119.211 121.118 -1.907 18518 9946 1 15 . 1 1 93 93 THR HA H 93 4.484 4.484 4.526 -0.042 18518 9947 1 15 . 1 1 93 93 THR CA C 93 60.884 60.884 61.545 -0.662 18518 9948 1 15 . 1 1 93 93 THR CB C 93 70.609 70.609 68.940 1.669 18518 9949 1 15 . 1 1 93 93 THR H H 93 7.416 7.416 7.487 -0.071 18518 9950 1 15 . 1 1 94 94 PRO HA H 94 4.440 4.440 4.705 -0.266 18518 9951 1 15 . 1 1 94 94 PRO C C 94 178.775 178.775 177.392 1.383 18518 9952 1 15 . 1 1 94 94 PRO CA C 94 62.943 62.943 62.475 0.468 18518 9953 1 15 . 1 1 94 94 PRO CB C 94 32.649 32.649 32.416 0.233 18518 9954 1 15 . 1 1 95 95 ILE N N 95 124.174 124.174 125.017 -0.843 18518 9955 1 15 . 1 1 95 95 ILE HA H 95 3.949 3.949 3.847 0.102 18518 9956 1 15 . 1 1 95 95 ILE C C 95 176.498 176.498 176.872 -0.374 18518 9957 1 15 . 1 1 95 95 ILE CA C 95 63.904 63.904 62.832 1.072 18518 9958 1 15 . 1 1 95 95 ILE CB C 95 38.182 38.182 37.957 0.225 18518 9959 1 15 . 1 1 95 95 ILE H H 95 9.305 9.305 8.078 1.227 18518 9960 1 15 . 1 1 96 96 SER N N 96 116.920 116.920 116.457 0.463 18518 9961 1 15 . 1 1 96 96 SER HA H 96 4.029 4.029 4.071 -0.042 18518 9962 1 15 . 1 1 96 96 SER C C 96 176.574 176.574 176.034 0.540 18518 9963 1 15 . 1 1 96 96 SER CA C 96 61.356 61.356 62.886 -1.530 18518 9964 1 15 . 1 1 96 96 SER CB C 96 61.723 61.723 62.877 -1.153 18518 9965 1 15 . 1 1 96 96 SER H H 96 8.335 8.335 8.603 -0.268 18518 9966 1 15 . 1 1 97 97 GLU N N 97 123.255 123.255 121.378 1.877 18518 9967 1 15 . 1 1 97 97 GLU HA H 97 4.278 4.278 4.162 0.116 18518 9968 1 15 . 1 1 97 97 GLU C C 97 179.716 179.716 179.049 0.667 18518 9969 1 15 . 1 1 97 97 GLU CA C 97 58.792 58.792 58.968 -0.176 18518 9970 1 15 . 1 1 97 97 GLU CB C 97 29.562 29.562 29.164 0.398 18518 9971 1 15 . 1 1 97 97 GLU H H 97 7.376 7.376 7.902 -0.526 18518 9972 1 15 . 1 1 98 98 VAL N N 98 121.137 121.137 120.422 0.715 18518 9973 1 15 . 1 1 98 98 VAL HA H 98 3.802 3.802 3.688 0.114 18518 9974 1 15 . 1 1 98 98 VAL C C 98 177.637 177.637 177.963 -0.326 18518 9975 1 15 . 1 1 98 98 VAL CA C 98 65.824 65.824 66.479 -0.655 18518 9976 1 15 . 1 1 98 98 VAL CB C 98 32.154 32.154 31.004 1.150 18518 9977 1 15 . 1 1 98 98 VAL H H 98 7.387 7.387 7.901 -0.514 18518 9978 1 15 . 1 1 99 99 TYR N N 99 118.927 118.927 121.642 -2.715 18518 9979 1 15 . 1 1 99 99 TYR HA H 99 3.990 3.990 4.006 -0.016 18518 9980 1 15 . 1 1 99 99 TYR C C 99 176.081 176.081 177.278 -1.197 18518 9981 1 15 . 1 1 99 99 TYR CA C 99 62.223 62.223 62.089 0.134 18518 9982 1 15 . 1 1 99 99 TYR CB C 99 38.982 38.982 38.641 0.341 18518 9983 1 15 . 1 1 99 99 TYR H H 99 9.048 9.048 8.495 0.553 18518 9984 1 15 . 1 1 100 100 GLU N N 100 113.894 113.894 116.595 -2.701 18518 9985 1 15 . 1 1 100 100 GLU HA H 100 3.846 3.846 3.899 -0.053 18518 9986 1 15 . 1 1 100 100 GLU C C 100 177.989 177.989 178.619 -0.630 18518 9987 1 15 . 1 1 100 100 GLU CA C 100 59.087 59.087 58.541 0.546 18518 9988 1 15 . 1 1 100 100 GLU CB C 100 29.382 29.382 29.254 0.128 18518 9989 1 15 . 1 1 100 100 GLU H H 100 7.422 7.422 8.181 -0.759 18518 9990 1 15 . 1 1 101 101 SER N N 101 108.991 108.991 114.737 -5.746 18518 9991 1 15 . 1 1 101 101 SER HA H 101 4.524 4.524 4.350 0.174 18518 9992 1 15 . 1 1 101 101 SER C C 101 176.628 176.628 175.462 1.166 18518 9993 1 15 . 1 1 101 101 SER CA C 101 60.349 60.349 60.392 -0.043 18518 9994 1 15 . 1 1 101 101 SER CB C 101 64.741 64.741 63.900 0.841 18518 9995 1 15 . 1 1 101 101 SER H H 101 7.424 7.424 7.804 -0.380 18518 9996 1 15 . 1 1 102 102 GLU N N 102 116.533 116.533 119.426 -2.893 18518 9997 1 15 . 1 1 102 102 GLU HA H 102 4.744 4.744 4.517 0.227 18518 9998 1 15 . 1 1 102 102 GLU C C 102 176.774 176.774 175.607 1.167 18518 9999 1 15 . 1 1 102 102 GLU CA C 102 55.581 55.581 55.593 -0.012 18518 10000 1 15 . 1 1 102 102 GLU CB C 102 30.697 30.697 30.944 -0.247 18518 10001 1 15 . 1 1 102 102 GLU H H 102 8.487 8.487 7.708 0.779 18518 10002 1 15 . 1 1 103 103 LYS N N 103 118.370 118.370 120.676 -2.306 18518 10003 1 15 . 1 1 103 103 LYS HA H 103 4.178 4.178 3.795 0.383 18518 10004 1 15 . 1 1 103 103 LYS C C 103 175.018 175.018 176.603 -1.585 18518 10005 1 15 . 1 1 103 103 LYS CA C 103 57.329 57.329 57.538 -0.209 18518 10006 1 15 . 1 1 103 103 LYS CB C 103 32.186 32.186 32.181 0.005 18518 10007 1 15 . 1 1 103 103 LYS H H 103 7.831 7.831 7.599 0.232 18518 10008 1 15 . 1 1 104 104 ASP N N 104 123.500 123.500 126.148 -2.648 18518 10009 1 15 . 1 1 104 104 ASP HA H 104 4.755 4.755 4.728 0.027 18518 10010 1 15 . 1 1 104 104 ASP C C 104 177.383 177.383 177.482 -0.099 18518 10011 1 15 . 1 1 104 104 ASP CA C 104 53.846 53.846 53.594 0.251 18518 10012 1 15 . 1 1 104 104 ASP CB C 104 43.411 43.411 42.113 1.298 18518 10013 1 15 . 1 1 104 104 ASP H H 104 9.041 9.041 8.076 0.965 18518 10014 1 15 . 1 1 105 105 GLU N N 105 125.448 125.448 120.933 4.515 18518 10015 1 15 . 1 1 105 105 GLU HA H 105 4.180 4.180 4.077 0.103 18518 10016 1 15 . 1 1 105 105 GLU C C 105 177.519 177.519 176.757 0.762 18518 10017 1 15 . 1 1 105 105 GLU CA C 105 59.529 59.529 58.816 0.713 18518 10018 1 15 . 1 1 105 105 GLU CB C 105 30.044 30.044 29.815 0.229 18518 10019 1 15 . 1 1 105 105 GLU H H 105 8.906 8.906 8.824 0.082 18518 10020 1 15 . 1 1 106 106 ASP N N 106 118.824 118.824 116.550 2.274 18518 10021 1 15 . 1 1 106 106 ASP HA H 106 4.179 4.179 4.484 -0.305 18518 10022 1 15 . 1 1 106 106 ASP C C 106 176.223 176.223 177.052 -0.829 18518 10023 1 15 . 1 1 106 106 ASP CA C 106 54.756 54.756 54.662 0.094 18518 10024 1 15 . 1 1 106 106 ASP CB C 106 39.999 39.999 41.025 -1.026 18518 10025 1 15 . 1 1 106 106 ASP H H 106 10.036 10.036 8.362 1.674 18518 10026 1 15 . 1 1 107 107 GLY N N 107 105.866 105.866 105.986 -0.120 18518 10027 1 15 . 1 1 107 107 GLY C C 107 175.136 175.136 173.677 1.459 18518 10028 1 15 . 1 1 107 107 GLY CA C 107 45.222 45.222 45.194 0.028 18518 10029 1 15 . 1 1 107 107 GLY H H 107 8.001 8.001 7.594 0.407 18518 10030 1 15 . 1 1 108 108 PHE N N 108 123.820 123.820 120.066 3.754 18518 10031 1 15 . 1 1 108 108 PHE HA H 108 4.662 4.662 5.050 -0.388 18518 10032 1 15 . 1 1 108 108 PHE C C 108 174.899 174.899 174.756 0.143 18518 10033 1 15 . 1 1 108 108 PHE CA C 108 60.238 60.238 57.742 2.496 18518 10034 1 15 . 1 1 108 108 PHE CB C 108 40.365 40.365 41.190 -0.825 18518 10035 1 15 . 1 1 108 108 PHE H H 108 9.912 9.912 7.819 2.094 18518 10036 1 15 . 1 1 109 109 LEU N N 109 120.130 120.130 123.124 -2.994 18518 10037 1 15 . 1 1 109 109 LEU HA H 109 5.030 5.030 4.919 0.111 18518 10038 1 15 . 1 1 109 109 LEU C C 109 173.916 173.916 174.856 -0.940 18518 10039 1 15 . 1 1 109 109 LEU CA C 109 53.424 53.424 54.062 -0.638 18518 10040 1 15 . 1 1 109 109 LEU CB C 109 45.203 45.203 43.310 1.893 18518 10041 1 15 . 1 1 109 109 LEU H H 109 7.997 7.997 8.843 -0.846 18518 10042 1 15 . 1 1 110 110 TYR N N 110 126.579 126.579 128.868 -2.289 18518 10043 1 15 . 1 1 110 110 TYR HA H 110 5.003 5.003 4.901 0.102 18518 10044 1 15 . 1 1 110 110 TYR C C 110 176.671 176.671 175.310 1.361 18518 10045 1 15 . 1 1 110 110 TYR CA C 110 59.058 59.058 58.338 0.720 18518 10046 1 15 . 1 1 110 110 TYR CB C 110 39.556 39.556 39.427 0.129 18518 10047 1 15 . 1 1 110 110 TYR H H 110 9.377 9.377 8.378 0.999 18518 10048 1 15 . 1 1 111 111 MET N N 111 119.240 119.240 120.863 -1.623 18518 10049 1 15 . 1 1 111 111 MET HA H 111 5.486 5.486 5.474 0.012 18518 10050 1 15 . 1 1 111 111 MET C C 111 175.695 175.695 174.254 1.441 18518 10051 1 15 . 1 1 111 111 MET CA C 111 54.124 54.124 54.215 -0.091 18518 10052 1 15 . 1 1 111 111 MET CB C 111 36.960 36.960 36.928 0.032 18518 10053 1 15 . 1 1 111 111 MET H H 111 9.658 9.658 9.151 0.507 18518 10054 1 15 . 1 1 112 112 VAL N N 112 119.865 119.865 115.905 3.960 18518 10055 1 15 . 1 1 112 112 VAL HA H 112 5.963 5.963 5.465 0.498 18518 10056 1 15 . 1 1 112 112 VAL C C 112 175.058 175.058 174.220 0.838 18518 10057 1 15 . 1 1 112 112 VAL CA C 112 58.911 58.911 60.098 -1.187 18518 10058 1 15 . 1 1 112 112 VAL CB C 112 36.051 36.051 35.416 0.635 18518 10059 1 15 . 1 1 112 112 VAL H H 112 8.794 8.794 8.992 -0.198 18518 10060 1 15 . 1 1 113 113 TYR N N 113 119.664 119.664 121.841 -2.177 18518 10061 1 15 . 1 1 113 113 TYR HA H 113 6.118 6.118 5.662 0.456 18518 10062 1 15 . 1 1 113 113 TYR C C 113 173.375 173.375 173.784 -0.409 18518 10063 1 15 . 1 1 113 113 TYR CA C 113 54.153 54.153 54.336 -0.183 18518 10064 1 15 . 1 1 113 113 TYR CB C 113 43.312 43.312 41.457 1.855 18518 10065 1 15 . 1 1 113 113 TYR H H 113 8.315 8.315 8.614 -0.299 18518 10066 1 15 . 1 1 114 114 ALA N N 114 119.763 119.763 122.164 -2.401 18518 10067 1 15 . 1 1 114 114 ALA HA H 114 4.800 4.800 4.756 0.044 18518 10068 1 15 . 1 1 114 114 ALA C C 114 176.216 176.216 174.865 1.351 18518 10069 1 15 . 1 1 114 114 ALA CA C 114 51.132 51.132 52.015 -0.883 18518 10070 1 15 . 1 1 114 114 ALA CB C 114 24.596 24.596 22.332 2.264 18518 10071 1 15 . 1 1 114 114 ALA H H 114 8.465 8.465 8.675 -0.210 18518 10072 1 15 . 1 1 115 115 SER N N 115 114.763 114.763 116.074 -1.311 18518 10073 1 15 . 1 1 115 115 SER HA H 115 4.496 4.496 5.001 -0.505 18518 10074 1 15 . 1 1 115 115 SER C C 115 172.671 172.671 173.552 -0.881 18518 10075 1 15 . 1 1 115 115 SER CA C 115 58.651 58.651 57.400 1.251 18518 10076 1 15 . 1 1 115 115 SER CB C 115 63.526 63.526 61.814 1.712 18518 10077 1 15 . 1 1 115 115 SER H H 115 9.915 9.915 8.738 1.177 18518 10078 1 15 . 1 1 116 116 GLN N N 116 116.611 116.611 123.575 -6.964 18518 10079 1 15 . 1 1 116 116 GLN HA H 116 4.484 4.484 4.507 -0.023 18518 10080 1 15 . 1 1 116 116 GLN C C 116 172.733 172.733 173.765 -1.032 18518 10081 1 15 . 1 1 116 116 GLN CA C 116 53.926 53.926 55.702 -1.776 18518 10082 1 15 . 1 1 116 116 GLN CB C 116 32.358 32.358 30.204 2.154 18518 10083 1 15 . 1 1 116 116 GLN H H 116 7.219 7.219 8.016 -0.797 18518 10084 1 15 . 1 1 117 117 GLU N N 117 117.623 117.623 120.953 -3.330 18518 10085 1 15 . 1 1 117 117 GLU HA H 117 3.287 3.287 2.993 0.294 18518 10086 1 15 . 1 1 117 117 GLU C C 117 175.168 175.168 175.728 -0.560 18518 10087 1 15 . 1 1 117 117 GLU CA C 117 56.882 56.882 56.747 0.135 18518 10088 1 15 . 1 1 117 117 GLU CB C 117 30.522 30.522 29.682 0.840 18518 10089 1 15 . 1 1 117 117 GLU H H 117 7.882 7.882 8.707 -0.825 18518 10090 1 15 . 1 1 118 118 THR N N 118 109.820 109.820 111.262 -1.442 18518 10091 1 15 . 1 1 118 118 THR HA H 118 4.066 4.066 4.389 -0.323 18518 10092 1 15 . 1 1 118 118 THR C C 118 172.355 172.355 174.161 -1.806 18518 10093 1 15 . 1 1 118 118 THR CA C 118 60.029 60.029 60.040 -0.011 18518 10094 1 15 . 1 1 118 118 THR CB C 118 70.480 70.480 69.480 1.000 18518 10095 1 15 . 1 1 118 118 THR H H 118 6.992 6.992 7.375 -0.383 18518 10096 1 16 . 1 1 2 2 ALA HA H 2 4.336 4.336 5.143 -0.807 18518 10097 1 16 . 1 1 2 2 ALA C C 2 177.974 177.974 176.488 1.486 18518 10098 1 16 . 1 1 2 2 ALA CA C 2 52.785 52.785 51.560 1.225 18518 10099 1 16 . 1 1 2 2 ALA CB C 2 19.444 19.444 20.473 -1.029 18518 10100 1 16 . 1 1 3 3 MET N N 3 119.311 119.311 122.035 -2.724 18518 10101 1 16 . 1 1 3 3 MET HA H 3 4.451 4.451 4.766 -0.315 18518 10102 1 16 . 1 1 3 3 MET C C 3 176.913 176.913 176.421 0.492 18518 10103 1 16 . 1 1 3 3 MET CA C 3 55.679 55.679 54.742 0.937 18518 10104 1 16 . 1 1 3 3 MET CB C 3 32.590 32.590 35.620 -3.030 18518 10105 1 16 . 1 1 3 3 MET H H 3 8.638 8.638 8.669 -0.031 18518 10106 1 16 . 1 1 4 4 GLY N N 4 110.281 110.281 110.226 0.055 18518 10107 1 16 . 1 1 4 4 GLY C C 4 174.180 174.180 173.992 0.188 18518 10108 1 16 . 1 1 4 4 GLY CA C 4 45.495 45.495 45.219 0.276 18518 10109 1 16 . 1 1 4 4 GLY H H 4 8.552 8.552 8.552 0.000 18518 10110 1 16 . 1 1 5 5 LYS N N 5 120.818 120.818 126.193 -5.375 18518 10111 1 16 . 1 1 5 5 LYS HA H 5 4.509 4.509 4.298 0.211 18518 10112 1 16 . 1 1 5 5 LYS C C 5 177.605 177.605 176.648 0.957 18518 10113 1 16 . 1 1 5 5 LYS CA C 5 56.134 56.134 55.748 0.386 18518 10114 1 16 . 1 1 5 5 LYS CB C 5 34.813 34.813 32.693 2.120 18518 10115 1 16 . 1 1 5 5 LYS H H 5 8.133 8.133 8.181 -0.048 18518 10116 1 16 . 1 1 6 6 THR N N 6 114.781 114.781 117.093 -2.312 18518 10117 1 16 . 1 1 6 6 THR HA H 6 4.421 4.421 4.420 0.001 18518 10118 1 16 . 1 1 6 6 THR C C 6 175.524 175.524 175.631 -0.107 18518 10119 1 16 . 1 1 6 6 THR CA C 6 61.127 61.127 60.616 0.511 18518 10120 1 16 . 1 1 6 6 THR CB C 6 69.926 69.926 70.488 -0.562 18518 10121 1 16 . 1 1 6 6 THR H H 6 8.483 8.483 7.998 0.485 18518 10122 1 16 . 1 1 7 7 PHE N N 7 125.552 125.552 120.866 4.686 18518 10123 1 16 . 1 1 7 7 PHE HA H 7 4.005 4.005 4.173 -0.168 18518 10124 1 16 . 1 1 7 7 PHE C C 7 177.397 177.397 176.776 0.621 18518 10125 1 16 . 1 1 7 7 PHE CA C 7 63.393 63.393 61.038 2.355 18518 10126 1 16 . 1 1 7 7 PHE CB C 7 39.567 39.567 38.518 1.049 18518 10127 1 16 . 1 1 7 7 PHE H H 7 10.245 10.245 8.991 1.254 18518 10128 1 16 . 1 1 8 8 LYS N N 8 114.053 114.053 116.879 -2.826 18518 10129 1 16 . 1 1 8 8 LYS HA H 8 3.835 3.835 3.656 0.179 18518 10130 1 16 . 1 1 8 8 LYS C C 8 175.520 175.520 178.504 -2.984 18518 10131 1 16 . 1 1 8 8 LYS CA C 8 59.993 59.993 58.498 1.496 18518 10132 1 16 . 1 1 8 8 LYS CB C 8 33.689 33.689 31.293 2.396 18518 10133 1 16 . 1 1 8 8 LYS H H 8 8.775 8.775 7.558 1.217 18518 10134 1 16 . 1 1 9 9 GLN N N 9 113.516 113.516 117.223 -3.707 18518 10135 1 16 . 1 1 9 9 GLN HA H 9 4.149 4.149 4.150 -0.001 18518 10136 1 16 . 1 1 9 9 GLN C C 9 177.615 177.615 177.215 0.400 18518 10137 1 16 . 1 1 9 9 GLN CA C 9 56.819 56.819 57.900 -1.081 18518 10138 1 16 . 1 1 9 9 GLN CB C 9 30.019 30.019 28.849 1.170 18518 10139 1 16 . 1 1 9 9 GLN H H 9 7.355 7.355 7.495 -0.140 18518 10140 1 16 . 1 1 10 10 ARG N N 10 118.294 118.294 118.010 0.284 18518 10141 1 16 . 1 1 10 10 ARG HA H 10 4.302 4.302 4.182 0.120 18518 10142 1 16 . 1 1 10 10 ARG C C 10 179.380 179.380 177.194 2.186 18518 10143 1 16 . 1 1 10 10 ARG CA C 10 57.268 57.268 57.464 -0.196 18518 10144 1 16 . 1 1 10 10 ARG CB C 10 31.642 31.642 30.958 0.684 18518 10145 1 16 . 1 1 10 10 ARG H H 10 7.936 7.936 7.797 0.139 18518 10146 1 16 . 1 1 11 11 ARG N N 11 121.137 121.137 119.517 1.620 18518 10147 1 16 . 1 1 11 11 ARG HA H 11 4.680 4.680 4.781 -0.101 18518 10148 1 16 . 1 1 11 11 ARG CA C 11 53.453 53.453 53.929 -0.476 18518 10149 1 16 . 1 1 11 11 ARG CB C 11 32.938 32.938 32.181 0.757 18518 10150 1 16 . 1 1 11 11 ARG H H 11 7.390 7.390 7.857 -0.467 18518 10151 1 16 . 1 1 12 12 THR N N 12 116.819 116.819 119.978 -3.159 18518 10152 1 16 . 1 1 12 12 THR HA H 12 4.359 4.359 4.313 0.046 18518 10153 1 16 . 1 1 12 12 THR C C 12 174.989 174.989 175.891 -0.902 18518 10154 1 16 . 1 1 12 12 THR CA C 12 61.748 61.748 63.153 -1.405 18518 10155 1 16 . 1 1 12 12 THR CB C 12 71.068 71.068 70.280 0.788 18518 10156 1 16 . 1 1 12 12 THR H H 12 8.953 8.953 8.597 0.356 18518 10157 1 16 . 1 1 13 13 PHE N N 13 123.200 123.200 124.825 -1.625 18518 10158 1 16 . 1 1 13 13 PHE HA H 13 4.028 4.028 4.185 -0.157 18518 10159 1 16 . 1 1 13 13 PHE C C 13 176.029 176.029 176.965 -0.936 18518 10160 1 16 . 1 1 13 13 PHE CA C 13 62.864 62.864 62.723 0.141 18518 10161 1 16 . 1 1 13 13 PHE CB C 13 39.560 39.560 39.383 0.177 18518 10162 1 16 . 1 1 13 13 PHE H H 13 9.284 9.284 9.058 0.226 18518 10163 1 16 . 1 1 14 14 GLU N N 14 115.414 115.414 117.438 -2.024 18518 10164 1 16 . 1 1 14 14 GLU HA H 14 3.794 3.794 3.891 -0.097 18518 10165 1 16 . 1 1 14 14 GLU C C 14 180.081 180.081 179.155 0.926 18518 10166 1 16 . 1 1 14 14 GLU CA C 14 60.619 60.619 59.600 1.019 18518 10167 1 16 . 1 1 14 14 GLU CB C 14 28.852 28.852 29.134 -0.282 18518 10168 1 16 . 1 1 14 14 GLU H H 14 8.973 8.973 8.904 0.069 18518 10169 1 16 . 1 1 15 15 GLN N N 15 119.276 119.276 118.226 1.050 18518 10170 1 16 . 1 1 15 15 GLN HA H 15 4.000 4.000 4.120 -0.120 18518 10171 1 16 . 1 1 15 15 GLN C C 15 177.978 177.978 178.661 -0.683 18518 10172 1 16 . 1 1 15 15 GLN CA C 15 58.835 58.835 58.653 0.182 18518 10173 1 16 . 1 1 15 15 GLN CB C 15 29.370 29.370 28.784 0.586 18518 10174 1 16 . 1 1 15 15 GLN H H 15 7.756 7.756 7.699 0.057 18518 10175 1 16 . 1 1 16 16 ARG N N 16 121.336 121.336 120.988 0.348 18518 10176 1 16 . 1 1 16 16 ARG HA H 16 4.270 4.270 4.473 -0.203 18518 10177 1 16 . 1 1 16 16 ARG C C 16 177.416 177.416 179.046 -1.630 18518 10178 1 16 . 1 1 16 16 ARG CA C 16 61.375 61.375 59.769 1.606 18518 10179 1 16 . 1 1 16 16 ARG CB C 16 30.605 30.605 30.446 0.159 18518 10180 1 16 . 1 1 16 16 ARG H H 16 8.645 8.645 8.388 0.257 18518 10181 1 16 . 1 1 17 17 VAL N N 17 117.630 117.630 119.552 -1.922 18518 10182 1 16 . 1 1 17 17 VAL HA H 17 3.857 3.857 3.526 0.331 18518 10183 1 16 . 1 1 17 17 VAL C C 17 179.748 179.748 177.845 1.903 18518 10184 1 16 . 1 1 17 17 VAL CA C 17 65.726 65.726 66.788 -1.062 18518 10185 1 16 . 1 1 17 17 VAL CB C 17 32.194 32.194 31.668 0.526 18518 10186 1 16 . 1 1 17 17 VAL H H 17 8.373 8.373 8.315 0.058 18518 10187 1 16 . 1 1 18 18 GLU N N 18 120.864 120.864 119.625 1.239 18518 10188 1 16 . 1 1 18 18 GLU HA H 18 4.302 4.302 3.904 0.398 18518 10189 1 16 . 1 1 18 18 GLU C C 18 177.728 177.728 178.703 -0.975 18518 10190 1 16 . 1 1 18 18 GLU CA C 18 58.486 58.486 59.846 -1.360 18518 10191 1 16 . 1 1 18 18 GLU CB C 18 29.382 29.382 29.398 -0.016 18518 10192 1 16 . 1 1 18 18 GLU H H 18 7.368 7.368 7.862 -0.494 18518 10193 1 16 . 1 1 19 19 ASP N N 19 121.425 121.425 119.741 1.684 18518 10194 1 16 . 1 1 19 19 ASP HA H 19 4.434 4.434 4.431 0.003 18518 10195 1 16 . 1 1 19 19 ASP C C 19 179.978 179.978 178.859 1.119 18518 10196 1 16 . 1 1 19 19 ASP CA C 19 57.422 57.422 57.464 -0.042 18518 10197 1 16 . 1 1 19 19 ASP CB C 19 41.287 41.287 40.497 0.790 18518 10198 1 16 . 1 1 19 19 ASP H H 19 8.671 8.671 8.400 0.271 18518 10199 1 16 . 1 1 20 20 VAL N N 20 119.730 119.730 120.154 -0.424 18518 10200 1 16 . 1 1 20 20 VAL HA H 20 3.205 3.205 3.340 -0.135 18518 10201 1 16 . 1 1 20 20 VAL C C 20 176.284 176.284 177.404 -1.120 18518 10202 1 16 . 1 1 20 20 VAL CA C 20 66.315 66.315 66.901 -0.586 18518 10203 1 16 . 1 1 20 20 VAL CB C 20 31.107 31.107 31.236 -0.129 18518 10204 1 16 . 1 1 20 20 VAL H H 20 7.999 7.999 7.684 0.315 18518 10205 1 16 . 1 1 21 21 ARG N N 21 121.455 121.455 119.767 1.688 18518 10206 1 16 . 1 1 21 21 ARG HA H 21 3.814 3.814 3.971 -0.157 18518 10207 1 16 . 1 1 21 21 ARG C C 21 180.120 180.120 178.927 1.193 18518 10208 1 16 . 1 1 21 21 ARG CA C 21 59.830 59.830 58.745 1.085 18518 10209 1 16 . 1 1 21 21 ARG CB C 21 29.946 29.946 29.096 0.850 18518 10210 1 16 . 1 1 21 21 ARG H H 21 8.098 8.098 7.787 0.311 18518 10211 1 16 . 1 1 22 22 LEU N N 22 117.826 117.826 121.109 -3.283 18518 10212 1 16 . 1 1 22 22 LEU HA H 22 4.049 4.049 4.051 -0.002 18518 10213 1 16 . 1 1 22 22 LEU C C 22 180.115 180.115 178.655 1.460 18518 10214 1 16 . 1 1 22 22 LEU CA C 22 57.790 57.790 57.857 -0.067 18518 10215 1 16 . 1 1 22 22 LEU CB C 22 42.142 42.142 41.462 0.680 18518 10216 1 16 . 1 1 22 22 LEU H H 22 8.207 8.207 8.341 -0.134 18518 10217 1 16 . 1 1 23 23 ILE N N 23 121.450 121.450 119.954 1.496 18518 10218 1 16 . 1 1 23 23 ILE HA H 23 4.013 4.013 3.976 0.037 18518 10219 1 16 . 1 1 23 23 ILE C C 23 178.149 178.149 178.540 -0.391 18518 10220 1 16 . 1 1 23 23 ILE CA C 23 62.171 62.171 64.305 -2.134 18518 10221 1 16 . 1 1 23 23 ILE CB C 23 38.106 38.106 37.710 0.396 18518 10222 1 16 . 1 1 23 23 ILE H H 23 8.105 8.105 8.002 0.103 18518 10223 1 16 . 1 1 24 24 ARG N N 24 121.139 121.139 118.722 2.417 18518 10224 1 16 . 1 1 24 24 ARG HA H 24 3.987 3.987 4.022 -0.035 18518 10225 1 16 . 1 1 24 24 ARG C C 24 178.702 178.702 178.741 -0.039 18518 10226 1 16 . 1 1 24 24 ARG CA C 24 57.718 57.718 58.772 -1.054 18518 10227 1 16 . 1 1 24 24 ARG CB C 24 28.769 28.769 29.682 -0.913 18518 10228 1 16 . 1 1 24 24 ARG H H 24 8.601 8.601 8.265 0.336 18518 10229 1 16 . 1 1 25 25 GLU N N 25 118.054 118.054 118.615 -0.561 18518 10230 1 16 . 1 1 25 25 GLU HA H 25 4.026 4.026 4.167 -0.141 18518 10231 1 16 . 1 1 25 25 GLU C C 25 178.492 178.492 178.163 0.329 18518 10232 1 16 . 1 1 25 25 GLU CA C 25 58.780 58.780 58.278 0.502 18518 10233 1 16 . 1 1 25 25 GLU CB C 25 30.001 30.001 29.539 0.462 18518 10234 1 16 . 1 1 25 25 GLU H H 25 7.423 7.423 7.731 -0.308 18518 10235 1 16 . 1 1 26 26 GLN N N 26 116.350 116.350 117.329 -0.979 18518 10236 1 16 . 1 1 26 26 GLN HA H 26 3.936 3.936 4.013 -0.077 18518 10237 1 16 . 1 1 26 26 GLN C C 26 176.305 176.305 176.972 -0.667 18518 10238 1 16 . 1 1 26 26 GLN CA C 26 57.503 57.503 57.344 0.159 18518 10239 1 16 . 1 1 26 26 GLN CB C 26 30.207 30.207 29.305 0.902 18518 10240 1 16 . 1 1 26 26 GLN H H 26 7.524 7.524 7.850 -0.326 18518 10241 1 16 . 1 1 27 27 HIS N N 27 116.017 116.017 118.366 -2.349 18518 10242 1 16 . 1 1 27 27 HIS HA H 27 4.930 4.930 5.139 -0.209 18518 10243 1 16 . 1 1 27 27 HIS CA C 27 53.054 53.054 52.811 0.243 18518 10244 1 16 . 1 1 27 27 HIS CB C 27 30.747 30.747 29.941 0.806 18518 10245 1 16 . 1 1 27 27 HIS H H 27 8.284 8.284 8.147 0.137 18518 10246 1 16 . 1 1 28 28 PRO HA H 28 4.581 4.581 4.576 0.005 18518 10247 1 16 . 1 1 28 28 PRO CA C 28 64.919 64.919 64.418 0.500 18518 10248 1 16 . 1 1 28 28 PRO CB C 28 32.455 32.455 32.162 0.293 18518 10249 1 16 . 1 1 29 29 THR N N 29 107.011 107.011 107.654 -0.643 18518 10250 1 16 . 1 1 29 29 THR HA H 29 4.599 4.599 4.299 0.300 18518 10251 1 16 . 1 1 29 29 THR C C 29 172.884 172.884 174.158 -1.274 18518 10252 1 16 . 1 1 29 29 THR CA C 29 60.810 60.810 62.096 -1.286 18518 10253 1 16 . 1 1 29 29 THR CB C 29 68.531 68.531 68.555 -0.024 18518 10254 1 16 . 1 1 29 29 THR H H 29 7.890 7.890 8.276 -0.386 18518 10255 1 16 . 1 1 30 30 LYS N N 30 117.679 117.679 120.591 -2.912 18518 10256 1 16 . 1 1 30 30 LYS HA H 30 4.858 4.858 4.901 -0.043 18518 10257 1 16 . 1 1 30 30 LYS C C 30 174.310 174.310 174.369 -0.059 18518 10258 1 16 . 1 1 30 30 LYS CA C 30 53.751 53.751 54.060 -0.309 18518 10259 1 16 . 1 1 30 30 LYS CB C 30 35.804 35.804 36.287 -0.483 18518 10260 1 16 . 1 1 30 30 LYS H H 30 7.441 7.441 7.587 -0.146 18518 10261 1 16 . 1 1 31 31 ILE N N 31 122.849 122.849 122.058 0.791 18518 10262 1 16 . 1 1 31 31 ILE HA H 31 4.105 4.105 4.476 -0.370 18518 10263 1 16 . 1 1 31 31 ILE CA C 31 54.801 54.801 56.288 -1.487 18518 10264 1 16 . 1 1 31 31 ILE CB C 31 38.265 38.265 38.796 -0.531 18518 10265 1 16 . 1 1 31 31 ILE H H 31 9.304 9.304 8.942 0.362 18518 10266 1 16 . 1 1 32 32 PRO HA H 32 5.159 5.159 5.066 0.093 18518 10267 1 16 . 1 1 32 32 PRO C C 32 174.164 174.164 175.982 -1.818 18518 10268 1 16 . 1 1 32 32 PRO CA C 32 61.503 61.503 62.188 -0.685 18518 10269 1 16 . 1 1 32 32 PRO CB C 32 31.145 31.145 31.340 -0.195 18518 10270 1 16 . 1 1 33 33 VAL N N 33 125.606 125.606 125.839 -0.233 18518 10271 1 16 . 1 1 33 33 VAL HA H 33 5.213 5.213 5.070 0.143 18518 10272 1 16 . 1 1 33 33 VAL C C 33 173.654 173.654 173.942 -0.288 18518 10273 1 16 . 1 1 33 33 VAL CA C 33 60.044 60.044 59.745 0.299 18518 10274 1 16 . 1 1 33 33 VAL CB C 33 35.604 35.604 36.390 -0.786 18518 10275 1 16 . 1 1 33 33 VAL H H 33 9.424 9.424 8.641 0.783 18518 10276 1 16 . 1 1 34 34 ILE N N 34 128.241 128.241 127.225 1.016 18518 10277 1 16 . 1 1 34 34 ILE HA H 34 4.833 4.833 4.771 0.062 18518 10278 1 16 . 1 1 34 34 ILE C C 34 175.605 175.605 174.453 1.152 18518 10279 1 16 . 1 1 34 34 ILE CA C 34 56.765 56.765 58.458 -1.693 18518 10280 1 16 . 1 1 34 34 ILE CB C 34 36.799 36.799 38.689 -1.890 18518 10281 1 16 . 1 1 34 34 ILE H H 34 8.721 8.721 9.116 -0.395 18518 10282 1 16 . 1 1 35 35 ILE N N 35 125.650 125.650 128.201 -2.551 18518 10283 1 16 . 1 1 35 35 ILE HA H 35 4.836 4.836 4.898 -0.062 18518 10284 1 16 . 1 1 35 35 ILE C C 35 174.887 174.887 174.761 0.126 18518 10285 1 16 . 1 1 35 35 ILE CA C 35 60.945 60.945 58.644 2.301 18518 10286 1 16 . 1 1 35 35 ILE CB C 35 39.210 39.210 38.875 0.335 18518 10287 1 16 . 1 1 35 35 ILE H H 35 9.034 9.034 8.834 0.200 18518 10288 1 16 . 1 1 36 36 GLU N N 36 122.657 122.657 125.228 -2.571 18518 10289 1 16 . 1 1 36 36 GLU HA H 36 4.861 4.861 4.713 0.148 18518 10290 1 16 . 1 1 36 36 GLU C C 36 173.848 173.848 174.346 -0.498 18518 10291 1 16 . 1 1 36 36 GLU CA C 36 53.932 53.932 54.739 -0.807 18518 10292 1 16 . 1 1 36 36 GLU CB C 36 35.282 35.282 33.959 1.323 18518 10293 1 16 . 1 1 36 36 GLU H H 36 8.303 8.303 8.469 -0.166 18518 10294 1 16 . 1 1 37 37 ARG N N 37 123.228 123.228 126.504 -3.276 18518 10295 1 16 . 1 1 37 37 ARG HA H 37 2.726 2.726 3.226 -0.500 18518 10296 1 16 . 1 1 37 37 ARG C C 37 176.359 176.359 175.717 0.642 18518 10297 1 16 . 1 1 37 37 ARG CA C 37 56.359 56.359 56.199 0.160 18518 10298 1 16 . 1 1 37 37 ARG CB C 37 31.341 31.341 30.506 0.835 18518 10299 1 16 . 1 1 37 37 ARG H H 37 8.856 8.856 8.612 0.244 18518 10300 1 16 . 1 1 38 38 TYR N N 38 128.981 128.981 127.945 1.036 18518 10301 1 16 . 1 1 38 38 TYR HA H 38 4.352 4.352 4.053 0.299 18518 10302 1 16 . 1 1 38 38 TYR C C 38 177.316 177.316 176.181 1.135 18518 10303 1 16 . 1 1 38 38 TYR CA C 38 57.712 57.712 58.211 -0.499 18518 10304 1 16 . 1 1 38 38 TYR CB C 38 39.472 39.472 39.509 -0.037 18518 10305 1 16 . 1 1 38 38 TYR H H 38 8.628 8.628 8.221 0.407 18518 10306 1 16 . 1 1 39 39 LYS N N 39 130.635 130.635 125.584 5.051 18518 10307 1 16 . 1 1 39 39 LYS HA H 39 3.822 3.822 3.808 0.014 18518 10308 1 16 . 1 1 39 39 LYS CA C 39 58.887 58.887 57.905 0.982 18518 10309 1 16 . 1 1 39 39 LYS CB C 39 31.771 31.771 32.041 -0.270 18518 10310 1 16 . 1 1 39 39 LYS H H 39 8.594 8.594 8.240 0.354 18518 10311 1 16 . 1 1 40 40 GLY C C 40 173.447 173.447 173.762 -0.315 18518 10312 1 16 . 1 1 40 40 GLY CA C 40 44.663 44.663 43.996 0.667 18518 10313 1 16 . 1 1 40 40 GLY H H 40 5.188 5.188 6.193 -1.005 18518 10314 1 16 . 1 1 41 41 GLU N N 41 122.836 122.836 121.328 1.508 18518 10315 1 16 . 1 1 41 41 GLU HA H 41 4.257 4.257 4.206 0.051 18518 10316 1 16 . 1 1 41 41 GLU C C 41 176.524 176.524 176.189 0.335 18518 10317 1 16 . 1 1 41 41 GLU CA C 41 56.525 56.525 56.242 0.283 18518 10318 1 16 . 1 1 41 41 GLU CB C 41 30.985 30.985 28.990 1.995 18518 10319 1 16 . 1 1 41 41 GLU H H 41 7.380 7.380 7.256 0.124 18518 10320 1 16 . 1 1 42 42 LYS N N 42 124.040 124.040 127.351 -3.311 18518 10321 1 16 . 1 1 42 42 LYS HA H 42 4.675 4.675 4.495 0.180 18518 10322 1 16 . 1 1 42 42 LYS C C 42 177.538 177.538 176.802 0.736 18518 10323 1 16 . 1 1 42 42 LYS CA C 42 55.840 55.840 56.593 -0.753 18518 10324 1 16 . 1 1 42 42 LYS CB C 42 34.979 34.979 33.287 1.692 18518 10325 1 16 . 1 1 42 42 LYS H H 42 9.034 9.034 8.649 0.385 18518 10326 1 16 . 1 1 43 43 GLN N N 43 119.259 119.259 118.799 0.460 18518 10327 1 16 . 1 1 43 43 GLN HA H 43 4.542 4.542 4.458 0.084 18518 10328 1 16 . 1 1 43 43 GLN C C 43 177.336 177.336 176.001 1.335 18518 10329 1 16 . 1 1 43 43 GLN CA C 43 57.673 57.673 57.055 0.618 18518 10330 1 16 . 1 1 43 43 GLN CB C 43 30.782 30.782 30.478 0.304 18518 10331 1 16 . 1 1 43 43 GLN H H 43 8.435 8.435 9.038 -0.603 18518 10332 1 16 . 1 1 44 44 LEU N N 44 120.760 120.760 122.840 -2.080 18518 10333 1 16 . 1 1 44 44 LEU HA H 44 4.695 4.695 4.733 -0.038 18518 10334 1 16 . 1 1 44 44 LEU CA C 44 53.245 53.245 52.485 0.760 18518 10335 1 16 . 1 1 44 44 LEU CB C 44 43.596 43.596 42.630 0.966 18518 10336 1 16 . 1 1 44 44 LEU H H 44 9.126 9.126 8.378 0.748 18518 10337 1 16 . 1 1 45 45 PRO HA H 45 4.717 4.717 4.595 0.122 18518 10338 1 16 . 1 1 45 45 PRO C C 45 175.797 175.797 176.488 -0.691 18518 10339 1 16 . 1 1 45 45 PRO CA C 45 62.111 62.111 62.110 0.001 18518 10340 1 16 . 1 1 45 45 PRO CB C 45 32.592 32.592 32.273 0.319 18518 10341 1 16 . 1 1 46 46 VAL N N 46 119.052 119.052 120.736 -1.684 18518 10342 1 16 . 1 1 46 46 VAL HA H 46 3.867 3.867 4.492 -0.625 18518 10343 1 16 . 1 1 46 46 VAL C C 46 175.640 175.640 177.276 -1.636 18518 10344 1 16 . 1 1 46 46 VAL CA C 46 62.944 62.944 62.494 0.450 18518 10345 1 16 . 1 1 46 46 VAL CB C 46 32.799 32.799 32.353 0.446 18518 10346 1 16 . 1 1 46 46 VAL H H 46 8.543 8.543 8.309 0.234 18518 10347 1 16 . 1 1 47 47 LEU N N 47 130.203 130.203 127.031 3.172 18518 10348 1 16 . 1 1 47 47 LEU HA H 47 4.309 4.309 4.302 0.007 18518 10349 1 16 . 1 1 47 47 LEU C C 47 176.198 176.198 177.369 -1.171 18518 10350 1 16 . 1 1 47 47 LEU CA C 47 55.006 55.006 55.466 -0.460 18518 10351 1 16 . 1 1 47 47 LEU CB C 47 43.832 43.832 42.372 1.460 18518 10352 1 16 . 1 1 47 47 LEU H H 47 7.799 7.799 8.597 -0.798 18518 10353 1 16 . 1 1 48 48 ASP N N 48 122.403 122.403 119.389 3.014 18518 10354 1 16 . 1 1 48 48 ASP HA H 48 4.263 4.263 4.596 -0.333 18518 10355 1 16 . 1 1 48 48 ASP C C 48 175.294 175.294 175.579 -0.285 18518 10356 1 16 . 1 1 48 48 ASP CA C 48 55.832 55.832 55.499 0.333 18518 10357 1 16 . 1 1 48 48 ASP CB C 48 40.184 40.184 41.374 -1.190 18518 10358 1 16 . 1 1 48 48 ASP H H 48 8.780 8.780 8.535 0.245 18518 10359 1 16 . 1 1 49 49 LYS N N 49 119.569 119.569 117.659 1.910 18518 10360 1 16 . 1 1 49 49 LYS HA H 49 4.585 4.585 4.548 0.037 18518 10361 1 16 . 1 1 49 49 LYS C C 49 174.678 174.678 175.377 -0.699 18518 10362 1 16 . 1 1 49 49 LYS CA C 49 53.652 53.652 54.929 -1.277 18518 10363 1 16 . 1 1 49 49 LYS CB C 49 35.945 35.945 34.588 1.357 18518 10364 1 16 . 1 1 49 49 LYS H H 49 7.280 7.280 7.513 -0.233 18518 10365 1 16 . 1 1 50 50 THR N N 50 110.862 110.862 114.171 -3.309 18518 10366 1 16 . 1 1 50 50 THR HA H 50 4.811 4.811 4.621 0.190 18518 10367 1 16 . 1 1 50 50 THR C C 50 172.425 172.425 173.645 -1.220 18518 10368 1 16 . 1 1 50 50 THR CA C 50 62.645 62.645 62.851 -0.206 18518 10369 1 16 . 1 1 50 50 THR CB C 50 71.648 71.648 70.817 0.831 18518 10370 1 16 . 1 1 50 50 THR H H 50 8.042 8.042 8.112 -0.070 18518 10371 1 16 . 1 1 51 51 LYS N N 51 120.008 120.008 121.862 -1.854 18518 10372 1 16 . 1 1 51 51 LYS HA H 51 4.625 4.625 4.930 -0.305 18518 10373 1 16 . 1 1 51 51 LYS C C 51 175.082 175.082 175.975 -0.893 18518 10374 1 16 . 1 1 51 51 LYS CA C 51 54.704 54.704 55.766 -1.062 18518 10375 1 16 . 1 1 51 51 LYS CB C 51 32.376 32.376 33.527 -1.151 18518 10376 1 16 . 1 1 51 51 LYS H H 51 7.119 7.119 7.516 -0.397 18518 10377 1 16 . 1 1 52 52 PHE N N 52 122.640 122.640 121.940 0.700 18518 10378 1 16 . 1 1 52 52 PHE HA H 52 5.337 5.337 4.777 0.560 18518 10379 1 16 . 1 1 52 52 PHE C C 52 174.213 174.213 173.997 0.216 18518 10380 1 16 . 1 1 52 52 PHE CA C 52 56.611 56.611 56.775 -0.164 18518 10381 1 16 . 1 1 52 52 PHE CB C 52 43.140 43.140 43.291 -0.151 18518 10382 1 16 . 1 1 52 52 PHE H H 52 9.709 9.709 9.233 0.476 18518 10383 1 16 . 1 1 53 53 LEU N N 53 122.157 122.157 123.182 -1.025 18518 10384 1 16 . 1 1 53 53 LEU HA H 53 4.947 4.947 4.882 0.065 18518 10385 1 16 . 1 1 53 53 LEU C C 53 175.769 175.769 175.653 0.116 18518 10386 1 16 . 1 1 53 53 LEU CA C 53 52.957 52.957 54.281 -1.324 18518 10387 1 16 . 1 1 53 53 LEU CB C 53 44.415 44.415 43.336 1.079 18518 10388 1 16 . 1 1 53 53 LEU H H 53 8.959 8.959 8.586 0.373 18518 10389 1 16 . 1 1 54 54 VAL N N 54 124.919 124.919 125.100 -0.181 18518 10390 1 16 . 1 1 54 54 VAL HA H 54 4.559 4.559 4.577 -0.018 18518 10391 1 16 . 1 1 54 54 VAL CA C 54 59.130 59.130 58.800 0.330 18518 10392 1 16 . 1 1 54 54 VAL CB C 54 34.968 34.968 33.826 1.142 18518 10393 1 16 . 1 1 54 54 VAL H H 54 8.922 8.922 8.554 0.368 18518 10394 1 16 . 1 1 55 55 PRO HA H 55 4.441 4.441 4.769 -0.328 18518 10395 1 16 . 1 1 55 55 PRO C C 55 176.594 176.594 178.063 -1.469 18518 10396 1 16 . 1 1 55 55 PRO CA C 55 64.315 64.315 62.403 1.912 18518 10397 1 16 . 1 1 55 55 PRO CB C 55 32.665 32.665 32.078 0.587 18518 10398 1 16 . 1 1 56 56 ASP N N 56 120.522 120.522 123.593 -3.071 18518 10399 1 16 . 1 1 56 56 ASP HA H 56 3.862 3.862 4.211 -0.349 18518 10400 1 16 . 1 1 56 56 ASP C C 56 175.809 175.809 176.793 -0.984 18518 10401 1 16 . 1 1 56 56 ASP CA C 56 56.749 56.749 57.194 -0.445 18518 10402 1 16 . 1 1 56 56 ASP CB C 56 40.510 40.510 40.679 -0.170 18518 10403 1 16 . 1 1 56 56 ASP H H 56 8.347 8.347 8.377 -0.030 18518 10404 1 16 . 1 1 57 57 HIS N N 57 113.482 113.482 115.759 -2.277 18518 10405 1 16 . 1 1 57 57 HIS HA H 57 4.720 4.720 4.551 0.169 18518 10406 1 16 . 1 1 57 57 HIS C C 57 176.507 176.507 175.416 1.091 18518 10407 1 16 . 1 1 57 57 HIS CA C 57 55.589 55.589 56.657 -1.068 18518 10408 1 16 . 1 1 57 57 HIS CB C 57 30.643 30.643 29.779 0.864 18518 10409 1 16 . 1 1 57 57 HIS H H 57 7.557 7.557 8.129 -0.572 18518 10410 1 16 . 1 1 58 58 VAL N N 58 123.279 123.279 121.137 2.142 18518 10411 1 16 . 1 1 58 58 VAL HA H 58 3.836 3.836 4.207 -0.371 18518 10412 1 16 . 1 1 58 58 VAL C C 58 175.019 175.019 174.564 0.455 18518 10413 1 16 . 1 1 58 58 VAL CA C 58 62.823 62.823 59.895 2.928 18518 10414 1 16 . 1 1 58 58 VAL CB C 58 32.310 32.310 34.357 -2.047 18518 10415 1 16 . 1 1 58 58 VAL H H 58 7.345 7.345 7.652 -0.307 18518 10416 1 16 . 1 1 59 59 ASN N N 59 123.781 123.781 120.117 3.664 18518 10417 1 16 . 1 1 59 59 ASN HA H 59 5.126 5.126 5.146 -0.020 18518 10418 1 16 . 1 1 59 59 ASN C C 59 176.558 176.558 176.560 -0.002 18518 10419 1 16 . 1 1 59 59 ASN CA C 59 51.485 51.485 51.756 -0.271 18518 10420 1 16 . 1 1 59 59 ASN CB C 59 40.107 40.107 40.893 -0.786 18518 10421 1 16 . 1 1 59 59 ASN H H 59 8.735 8.735 8.224 0.511 18518 10422 1 16 . 1 1 60 60 MET N N 60 117.453 117.453 118.618 -1.165 18518 10423 1 16 . 1 1 60 60 MET HA H 60 4.395 4.395 4.140 0.255 18518 10424 1 16 . 1 1 60 60 MET C C 60 178.144 178.144 178.062 0.082 18518 10425 1 16 . 1 1 60 60 MET CA C 60 57.097 57.097 58.014 -0.916 18518 10426 1 16 . 1 1 60 60 MET CB C 60 30.140 30.140 31.380 -1.240 18518 10427 1 16 . 1 1 60 60 MET H H 60 8.227 8.227 8.402 -0.175 18518 10428 1 16 . 1 1 61 61 SER N N 61 114.216 114.216 115.549 -1.333 18518 10429 1 16 . 1 1 61 61 SER HA H 61 4.111 4.111 4.069 0.042 18518 10430 1 16 . 1 1 61 61 SER C C 61 177.335 177.335 176.768 0.567 18518 10431 1 16 . 1 1 61 61 SER CA C 61 61.590 61.590 61.913 -0.323 18518 10432 1 16 . 1 1 61 61 SER CB C 61 62.402 62.402 62.842 -0.440 18518 10433 1 16 . 1 1 61 61 SER H H 61 8.464 8.464 8.547 -0.083 18518 10434 1 16 . 1 1 62 62 GLU N N 62 123.004 123.004 121.408 1.596 18518 10435 1 16 . 1 1 62 62 GLU HA H 62 4.047 4.047 4.092 -0.045 18518 10436 1 16 . 1 1 62 62 GLU C C 62 178.686 178.686 178.763 -0.077 18518 10437 1 16 . 1 1 62 62 GLU CA C 62 58.625 58.625 58.917 -0.292 18518 10438 1 16 . 1 1 62 62 GLU CB C 62 29.654 29.654 29.410 0.244 18518 10439 1 16 . 1 1 62 62 GLU H H 62 7.994 7.994 7.647 0.347 18518 10440 1 16 . 1 1 63 63 LEU N N 63 120.818 120.818 121.849 -1.031 18518 10441 1 16 . 1 1 63 63 LEU HA H 63 3.965 3.965 3.985 -0.020 18518 10442 1 16 . 1 1 63 63 LEU C C 63 178.046 178.046 178.856 -0.810 18518 10443 1 16 . 1 1 63 63 LEU CA C 63 57.920 57.920 58.045 -0.125 18518 10444 1 16 . 1 1 63 63 LEU CB C 63 41.624 41.624 41.450 0.174 18518 10445 1 16 . 1 1 63 63 LEU H H 63 8.130 8.130 7.791 0.339 18518 10446 1 16 . 1 1 64 64 ILE N N 64 118.528 118.528 119.046 -0.518 18518 10447 1 16 . 1 1 64 64 ILE HA H 64 3.369 3.369 3.579 -0.210 18518 10448 1 16 . 1 1 64 64 ILE C C 64 177.127 177.127 177.689 -0.562 18518 10449 1 16 . 1 1 64 64 ILE CA C 64 66.678 66.678 65.806 0.872 18518 10450 1 16 . 1 1 64 64 ILE CB C 64 38.444 38.444 37.659 0.785 18518 10451 1 16 . 1 1 64 64 ILE H H 64 8.488 8.488 8.715 -0.227 18518 10452 1 16 . 1 1 65 65 LYS N N 65 118.336 118.336 120.785 -2.449 18518 10453 1 16 . 1 1 65 65 LYS HA H 65 3.701 3.701 4.002 -0.301 18518 10454 1 16 . 1 1 65 65 LYS C C 65 179.291 179.291 179.052 0.239 18518 10455 1 16 . 1 1 65 65 LYS CA C 65 60.440 60.440 59.580 0.860 18518 10456 1 16 . 1 1 65 65 LYS CB C 65 32.371 32.371 31.996 0.375 18518 10457 1 16 . 1 1 65 65 LYS H H 65 7.347 7.347 7.566 -0.219 18518 10458 1 16 . 1 1 66 66 ILE N N 66 120.171 120.171 120.521 -0.350 18518 10459 1 16 . 1 1 66 66 ILE HA H 66 3.578 3.578 3.692 -0.114 18518 10460 1 16 . 1 1 66 66 ILE C C 66 178.873 178.873 178.263 0.610 18518 10461 1 16 . 1 1 66 66 ILE CA C 66 65.160 65.160 65.389 -0.229 18518 10462 1 16 . 1 1 66 66 ILE CB C 66 38.633 38.633 37.772 0.861 18518 10463 1 16 . 1 1 66 66 ILE H H 66 7.901 7.901 7.979 -0.078 18518 10464 1 16 . 1 1 67 67 ILE N N 67 121.185 121.185 120.280 0.905 18518 10465 1 16 . 1 1 67 67 ILE HA H 67 3.446 3.446 3.564 -0.118 18518 10466 1 16 . 1 1 67 67 ILE C C 67 177.150 177.150 177.923 -0.773 18518 10467 1 16 . 1 1 67 67 ILE CA C 67 62.806 62.806 65.034 -2.228 18518 10468 1 16 . 1 1 67 67 ILE CB C 67 34.995 34.995 37.407 -2.412 18518 10469 1 16 . 1 1 67 67 ILE H H 67 8.290 8.290 7.900 0.390 18518 10470 1 16 . 1 1 68 68 ARG N N 68 119.173 119.173 118.749 0.424 18518 10471 1 16 . 1 1 68 68 ARG HA H 68 2.931 2.931 3.754 -0.823 18518 10472 1 16 . 1 1 68 68 ARG C C 68 178.496 178.496 178.615 -0.119 18518 10473 1 16 . 1 1 68 68 ARG CA C 68 60.636 60.636 59.447 1.189 18518 10474 1 16 . 1 1 68 68 ARG CB C 68 30.440 30.440 29.761 0.680 18518 10475 1 16 . 1 1 68 68 ARG H H 68 8.438 8.438 8.331 0.107 18518 10476 1 16 . 1 1 69 69 ARG N N 69 116.511 116.511 120.575 -4.064 18518 10477 1 16 . 1 1 69 69 ARG HA H 69 4.134 4.134 4.005 0.129 18518 10478 1 16 . 1 1 69 69 ARG C C 69 180.262 180.262 178.175 2.087 18518 10479 1 16 . 1 1 69 69 ARG CA C 69 58.707 58.707 58.996 -0.289 18518 10480 1 16 . 1 1 69 69 ARG CB C 69 29.953 29.953 30.060 -0.107 18518 10481 1 16 . 1 1 69 69 ARG H H 69 7.497 7.497 8.355 -0.858 18518 10482 1 16 . 1 1 70 70 ARG N N 70 123.297 123.297 117.304 5.993 18518 10483 1 16 . 1 1 70 70 ARG HA H 70 4.016 4.016 4.175 -0.159 18518 10484 1 16 . 1 1 70 70 ARG C C 70 178.700 178.700 178.345 0.355 18518 10485 1 16 . 1 1 70 70 ARG CA C 70 59.460 59.460 58.263 1.197 18518 10486 1 16 . 1 1 70 70 ARG CB C 70 30.312 30.312 29.761 0.551 18518 10487 1 16 . 1 1 70 70 ARG H H 70 8.075 8.075 7.847 0.228 18518 10488 1 16 . 1 1 71 71 LEU N N 71 116.829 116.829 119.193 -2.364 18518 10489 1 16 . 1 1 71 71 LEU HA H 71 4.065 4.065 4.073 -0.008 18518 10490 1 16 . 1 1 71 71 LEU C C 71 174.956 174.956 176.735 -1.779 18518 10491 1 16 . 1 1 71 71 LEU CA C 71 55.126 55.126 56.360 -1.234 18518 10492 1 16 . 1 1 71 71 LEU CB C 71 43.246 43.246 42.306 0.940 18518 10493 1 16 . 1 1 71 71 LEU H H 71 7.719 7.719 7.705 0.014 18518 10494 1 16 . 1 1 72 72 GLN N N 72 114.991 114.991 114.137 0.854 18518 10495 1 16 . 1 1 72 72 GLN HA H 72 3.836 3.836 3.860 -0.024 18518 10496 1 16 . 1 1 72 72 GLN C C 72 175.683 175.683 175.417 0.266 18518 10497 1 16 . 1 1 72 72 GLN CA C 72 56.325 56.325 55.972 0.353 18518 10498 1 16 . 1 1 72 72 GLN CB C 72 26.004 26.004 26.091 -0.087 18518 10499 1 16 . 1 1 72 72 GLN H H 72 7.744 7.744 8.017 -0.273 18518 10500 1 16 . 1 1 73 73 LEU N N 73 115.045 115.045 117.974 -2.929 18518 10501 1 16 . 1 1 73 73 LEU HA H 73 4.236 4.236 4.179 0.057 18518 10502 1 16 . 1 1 73 73 LEU C C 73 178.762 178.762 177.743 1.019 18518 10503 1 16 . 1 1 73 73 LEU CA C 73 54.386 54.386 54.264 0.122 18518 10504 1 16 . 1 1 73 73 LEU CB C 73 42.091 42.091 41.824 0.267 18518 10505 1 16 . 1 1 73 73 LEU H H 73 7.500 7.500 7.768 -0.268 18518 10506 1 16 . 1 1 74 74 ASN N N 74 121.700 121.700 118.505 3.195 18518 10507 1 16 . 1 1 74 74 ASN HA H 74 4.690 4.690 4.539 0.151 18518 10508 1 16 . 1 1 74 74 ASN C C 74 176.617 176.617 175.863 0.754 18518 10509 1 16 . 1 1 74 74 ASN CA C 74 52.685 52.685 53.625 -0.940 18518 10510 1 16 . 1 1 74 74 ASN CB C 74 39.598 39.598 40.023 -0.425 18518 10511 1 16 . 1 1 74 74 ASN H H 74 9.045 9.045 8.288 0.757 18518 10512 1 16 . 1 1 75 75 ALA N N 75 123.952 123.952 121.898 2.054 18518 10513 1 16 . 1 1 75 75 ALA HA H 75 3.964 3.964 4.238 -0.274 18518 10514 1 16 . 1 1 75 75 ALA C C 75 178.131 178.131 177.792 0.339 18518 10515 1 16 . 1 1 75 75 ALA CA C 75 54.868 54.868 54.448 0.420 18518 10516 1 16 . 1 1 75 75 ALA CB C 75 18.718 18.718 19.251 -0.533 18518 10517 1 16 . 1 1 75 75 ALA H H 75 8.784 8.784 8.506 0.278 18518 10518 1 16 . 1 1 76 76 ASN N N 76 112.295 112.295 114.624 -2.329 18518 10519 1 16 . 1 1 76 76 ASN HA H 76 4.580 4.580 4.658 -0.078 18518 10520 1 16 . 1 1 76 76 ASN C C 76 175.448 175.448 175.089 0.359 18518 10521 1 16 . 1 1 76 76 ASN CA C 76 53.214 53.214 53.388 -0.174 18518 10522 1 16 . 1 1 76 76 ASN CB C 76 38.320 38.320 38.966 -0.646 18518 10523 1 16 . 1 1 76 76 ASN H H 76 8.391 8.391 8.329 0.062 18518 10524 1 16 . 1 1 77 77 GLN N N 77 120.577 120.577 118.910 1.667 18518 10525 1 16 . 1 1 77 77 GLN HA H 77 4.273 4.273 4.534 -0.261 18518 10526 1 16 . 1 1 77 77 GLN C C 77 175.045 175.045 174.391 0.654 18518 10527 1 16 . 1 1 77 77 GLN CA C 77 55.805 55.805 55.372 0.433 18518 10528 1 16 . 1 1 77 77 GLN CB C 77 30.157 30.157 29.590 0.567 18518 10529 1 16 . 1 1 77 77 GLN H H 77 7.552 7.552 7.602 -0.050 18518 10530 1 16 . 1 1 78 78 ALA N N 78 130.670 130.670 127.519 3.151 18518 10531 1 16 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.554 -0.383 18518 10532 1 16 . 1 1 78 78 ALA C C 78 176.512 176.512 175.770 0.742 18518 10533 1 16 . 1 1 78 78 ALA CA C 78 52.842 52.842 51.463 1.379 18518 10534 1 16 . 1 1 78 78 ALA CB C 78 20.060 20.060 21.319 -1.258 18518 10535 1 16 . 1 1 78 78 ALA H H 78 8.799 8.799 8.664 0.135 18518 10536 1 16 . 1 1 79 79 PHE N N 79 119.325 119.325 115.865 3.460 18518 10537 1 16 . 1 1 79 79 PHE HA H 79 4.434 4.434 5.061 -0.627 18518 10538 1 16 . 1 1 79 79 PHE C C 79 171.726 171.726 172.986 -1.260 18518 10539 1 16 . 1 1 79 79 PHE CA C 79 59.145 59.145 55.689 3.456 18518 10540 1 16 . 1 1 79 79 PHE CB C 79 42.171 42.171 41.296 0.875 18518 10541 1 16 . 1 1 79 79 PHE H H 79 7.664 7.664 8.238 -0.574 18518 10542 1 16 . 1 1 80 80 PHE N N 80 126.314 126.314 117.115 9.199 18518 10543 1 16 . 1 1 80 80 PHE HA H 80 4.392 4.392 4.354 0.038 18518 10544 1 16 . 1 1 80 80 PHE C C 80 177.169 177.169 173.213 3.956 18518 10545 1 16 . 1 1 80 80 PHE CA C 80 56.653 56.653 56.561 0.092 18518 10546 1 16 . 1 1 80 80 PHE CB C 80 41.933 41.933 42.962 -1.029 18518 10547 1 16 . 1 1 80 80 PHE H H 80 8.508 8.508 8.866 -0.358 18518 10548 1 16 . 1 1 81 81 LEU N N 81 121.426 121.426 123.923 -2.497 18518 10549 1 16 . 1 1 81 81 LEU HA H 81 4.851 4.851 4.973 -0.122 18518 10550 1 16 . 1 1 81 81 LEU C C 81 174.488 174.488 174.760 -0.272 18518 10551 1 16 . 1 1 81 81 LEU CA C 81 53.197 53.197 54.412 -1.215 18518 10552 1 16 . 1 1 81 81 LEU CB C 81 45.100 45.100 43.403 1.697 18518 10553 1 16 . 1 1 81 81 LEU H H 81 8.229 8.229 8.349 -0.120 18518 10554 1 16 . 1 1 82 82 LEU N N 82 125.155 125.155 126.822 -1.667 18518 10555 1 16 . 1 1 82 82 LEU HA H 82 4.833 4.833 4.689 0.144 18518 10556 1 16 . 1 1 82 82 LEU C C 82 177.166 177.166 176.311 0.855 18518 10557 1 16 . 1 1 82 82 LEU CA C 82 54.197 54.197 53.260 0.937 18518 10558 1 16 . 1 1 82 82 LEU CB C 82 43.442 43.442 43.894 -0.452 18518 10559 1 16 . 1 1 82 82 LEU H H 82 9.400 9.400 9.104 0.296 18518 10560 1 16 . 1 1 83 83 VAL N N 83 123.886 123.886 120.793 3.093 18518 10561 1 16 . 1 1 83 83 VAL HA H 83 4.379 4.379 4.296 0.083 18518 10562 1 16 . 1 1 83 83 VAL C C 83 175.810 175.810 176.420 -0.610 18518 10563 1 16 . 1 1 83 83 VAL CA C 83 61.677 61.677 62.494 -0.817 18518 10564 1 16 . 1 1 83 83 VAL CB C 83 33.758 33.758 32.191 1.567 18518 10565 1 16 . 1 1 83 83 VAL H H 83 8.721 8.721 7.853 0.868 18518 10566 1 16 . 1 1 84 84 ASN N N 84 126.474 126.474 127.026 -0.552 18518 10567 1 16 . 1 1 84 84 ASN HA H 84 4.396 4.396 4.489 -0.093 18518 10568 1 16 . 1 1 84 84 ASN C C 84 175.164 175.164 174.915 0.249 18518 10569 1 16 . 1 1 84 84 ASN CA C 84 54.738 54.738 55.001 -0.263 18518 10570 1 16 . 1 1 84 84 ASN CB C 84 37.950 37.950 37.533 0.417 18518 10571 1 16 . 1 1 84 84 ASN H H 84 9.707 9.707 9.420 0.287 18518 10572 1 16 . 1 1 85 85 GLY N N 85 101.296 101.296 105.047 -3.751 18518 10573 1 16 . 1 1 85 85 GLY C C 85 173.680 173.680 172.219 1.461 18518 10574 1 16 . 1 1 85 85 GLY CA C 85 45.603 45.603 44.724 0.879 18518 10575 1 16 . 1 1 85 85 GLY H H 85 8.644 8.644 8.187 0.457 18518 10576 1 16 . 1 1 86 86 HIS N N 86 117.238 117.238 117.398 -0.160 18518 10577 1 16 . 1 1 86 86 HIS HA H 86 5.017 5.017 4.753 0.264 18518 10578 1 16 . 1 1 86 86 HIS C C 86 173.841 173.841 173.865 -0.024 18518 10579 1 16 . 1 1 86 86 HIS CA C 86 53.796 53.796 53.602 0.194 18518 10580 1 16 . 1 1 86 86 HIS CB C 86 31.280 31.280 32.229 -0.949 18518 10581 1 16 . 1 1 86 86 HIS H H 86 7.918 7.918 8.149 -0.231 18518 10582 1 16 . 1 1 87 87 SER N N 87 118.179 118.179 120.482 -2.303 18518 10583 1 16 . 1 1 87 87 SER HA H 87 4.699 4.699 4.457 0.242 18518 10584 1 16 . 1 1 87 87 SER C C 87 175.904 175.904 174.320 1.584 18518 10585 1 16 . 1 1 87 87 SER CA C 87 58.271 58.271 59.466 -1.195 18518 10586 1 16 . 1 1 87 87 SER CB C 87 63.735 63.735 62.288 1.447 18518 10587 1 16 . 1 1 87 87 SER H H 87 8.977 8.977 8.837 0.140 18518 10588 1 16 . 1 1 88 88 MET N N 88 125.472 125.472 123.569 1.903 18518 10589 1 16 . 1 1 88 88 MET HA H 88 4.830 4.830 4.490 0.340 18518 10590 1 16 . 1 1 88 88 MET C C 88 176.419 176.419 175.217 1.202 18518 10591 1 16 . 1 1 88 88 MET CA C 88 54.899 54.899 55.575 -0.676 18518 10592 1 16 . 1 1 88 88 MET CB C 88 33.336 33.336 33.220 0.116 18518 10593 1 16 . 1 1 88 88 MET H H 88 9.184 9.184 8.177 1.007 18518 10594 1 16 . 1 1 89 89 VAL N N 89 120.747 120.747 119.250 1.497 18518 10595 1 16 . 1 1 89 89 VAL HA H 89 4.232 4.232 4.303 -0.071 18518 10596 1 16 . 1 1 89 89 VAL C C 89 175.958 175.958 173.898 2.060 18518 10597 1 16 . 1 1 89 89 VAL CA C 89 63.154 63.154 61.155 1.999 18518 10598 1 16 . 1 1 89 89 VAL CB C 89 31.878 31.878 35.681 -3.803 18518 10599 1 16 . 1 1 89 89 VAL H H 89 8.233 8.233 7.302 0.931 18518 10600 1 16 . 1 1 90 90 SER N N 90 117.362 117.362 117.424 -0.062 18518 10601 1 16 . 1 1 90 90 SER HA H 90 4.590 4.590 4.869 -0.279 18518 10602 1 16 . 1 1 90 90 SER C C 90 175.741 175.741 176.057 -0.316 18518 10603 1 16 . 1 1 90 90 SER CA C 90 57.717 57.717 56.250 1.467 18518 10604 1 16 . 1 1 90 90 SER CB C 90 63.223 63.223 64.502 -1.279 18518 10605 1 16 . 1 1 90 90 SER H H 90 8.482 8.482 8.434 0.048 18518 10606 1 16 . 1 1 91 91 VAL N N 91 120.466 120.466 121.528 -1.062 18518 10607 1 16 . 1 1 91 91 VAL HA H 91 4.047 4.047 3.942 0.105 18518 10608 1 16 . 1 1 91 91 VAL C C 91 176.329 176.329 176.349 -0.020 18518 10609 1 16 . 1 1 91 91 VAL CA C 91 63.492 63.492 64.710 -1.218 18518 10610 1 16 . 1 1 91 91 VAL CB C 91 32.568 32.568 31.418 1.150 18518 10611 1 16 . 1 1 91 91 VAL H H 91 8.188 8.188 8.670 -0.482 18518 10612 1 16 . 1 1 92 92 SER N N 92 116.398 116.398 115.596 0.802 18518 10613 1 16 . 1 1 92 92 SER HA H 92 4.636 4.636 4.424 0.212 18518 10614 1 16 . 1 1 92 92 SER C C 92 174.159 174.159 174.575 -0.416 18518 10615 1 16 . 1 1 92 92 SER CA C 92 57.805 57.805 59.543 -1.738 18518 10616 1 16 . 1 1 92 92 SER CB C 92 63.046 63.046 63.391 -0.345 18518 10617 1 16 . 1 1 92 92 SER H H 92 8.370 8.370 8.200 0.170 18518 10618 1 16 . 1 1 93 93 THR N N 93 119.211 119.211 120.412 -1.201 18518 10619 1 16 . 1 1 93 93 THR HA H 93 4.484 4.484 4.552 -0.068 18518 10620 1 16 . 1 1 93 93 THR CA C 93 60.884 60.884 61.388 -0.504 18518 10621 1 16 . 1 1 93 93 THR CB C 93 70.609 70.609 68.982 1.627 18518 10622 1 16 . 1 1 93 93 THR H H 93 7.416 7.416 7.429 -0.013 18518 10623 1 16 . 1 1 94 94 PRO HA H 94 4.440 4.440 4.605 -0.165 18518 10624 1 16 . 1 1 94 94 PRO C C 94 178.775 178.775 177.494 1.281 18518 10625 1 16 . 1 1 94 94 PRO CA C 94 62.943 62.943 62.670 0.273 18518 10626 1 16 . 1 1 94 94 PRO CB C 94 32.649 32.649 32.502 0.147 18518 10627 1 16 . 1 1 95 95 ILE N N 95 124.174 124.174 123.566 0.608 18518 10628 1 16 . 1 1 95 95 ILE HA H 95 3.949 3.949 3.795 0.154 18518 10629 1 16 . 1 1 95 95 ILE C C 95 176.498 176.498 177.151 -0.653 18518 10630 1 16 . 1 1 95 95 ILE CA C 95 63.904 63.904 63.628 0.276 18518 10631 1 16 . 1 1 95 95 ILE CB C 95 38.182 38.182 38.222 -0.040 18518 10632 1 16 . 1 1 95 95 ILE H H 95 9.305 9.305 8.586 0.719 18518 10633 1 16 . 1 1 96 96 SER N N 96 116.920 116.920 116.415 0.505 18518 10634 1 16 . 1 1 96 96 SER HA H 96 4.029 4.029 4.017 0.012 18518 10635 1 16 . 1 1 96 96 SER C C 96 176.574 176.574 176.155 0.419 18518 10636 1 16 . 1 1 96 96 SER CA C 96 61.356 61.356 62.388 -1.032 18518 10637 1 16 . 1 1 96 96 SER CB C 96 61.723 61.723 62.749 -1.026 18518 10638 1 16 . 1 1 96 96 SER H H 96 8.335 8.335 8.218 0.117 18518 10639 1 16 . 1 1 97 97 GLU N N 97 123.255 123.255 121.157 2.098 18518 10640 1 16 . 1 1 97 97 GLU HA H 97 4.278 4.278 4.201 0.077 18518 10641 1 16 . 1 1 97 97 GLU C C 97 179.716 179.716 179.182 0.534 18518 10642 1 16 . 1 1 97 97 GLU CA C 97 58.792 58.792 59.074 -0.282 18518 10643 1 16 . 1 1 97 97 GLU CB C 97 29.562 29.562 29.232 0.330 18518 10644 1 16 . 1 1 97 97 GLU H H 97 7.376 7.376 7.875 -0.499 18518 10645 1 16 . 1 1 98 98 VAL N N 98 121.137 121.137 120.833 0.304 18518 10646 1 16 . 1 1 98 98 VAL HA H 98 3.802 3.802 3.677 0.125 18518 10647 1 16 . 1 1 98 98 VAL C C 98 177.637 177.637 177.952 -0.315 18518 10648 1 16 . 1 1 98 98 VAL CA C 98 65.824 65.824 66.394 -0.570 18518 10649 1 16 . 1 1 98 98 VAL CB C 98 32.154 32.154 30.804 1.350 18518 10650 1 16 . 1 1 98 98 VAL H H 98 7.387 7.387 7.980 -0.593 18518 10651 1 16 . 1 1 99 99 TYR N N 99 118.927 118.927 121.665 -2.738 18518 10652 1 16 . 1 1 99 99 TYR HA H 99 3.990 3.990 4.061 -0.071 18518 10653 1 16 . 1 1 99 99 TYR C C 99 176.081 176.081 176.893 -0.812 18518 10654 1 16 . 1 1 99 99 TYR CA C 99 62.223 62.223 62.252 -0.029 18518 10655 1 16 . 1 1 99 99 TYR CB C 99 38.982 38.982 38.678 0.304 18518 10656 1 16 . 1 1 99 99 TYR H H 99 9.048 9.048 8.479 0.570 18518 10657 1 16 . 1 1 100 100 GLU N N 100 113.894 113.894 116.495 -2.601 18518 10658 1 16 . 1 1 100 100 GLU HA H 100 3.846 3.846 3.898 -0.052 18518 10659 1 16 . 1 1 100 100 GLU C C 100 177.989 177.989 177.881 0.108 18518 10660 1 16 . 1 1 100 100 GLU CA C 100 59.087 59.087 58.422 0.665 18518 10661 1 16 . 1 1 100 100 GLU CB C 100 29.382 29.382 28.994 0.388 18518 10662 1 16 . 1 1 100 100 GLU H H 100 7.422 7.422 8.263 -0.841 18518 10663 1 16 . 1 1 101 101 SER N N 101 108.991 108.991 114.352 -5.361 18518 10664 1 16 . 1 1 101 101 SER HA H 101 4.524 4.524 4.452 0.072 18518 10665 1 16 . 1 1 101 101 SER C C 101 176.628 176.628 175.380 1.248 18518 10666 1 16 . 1 1 101 101 SER CA C 101 60.349 60.349 60.288 0.061 18518 10667 1 16 . 1 1 101 101 SER CB C 101 64.741 64.741 64.040 0.702 18518 10668 1 16 . 1 1 101 101 SER H H 101 7.424 7.424 7.911 -0.487 18518 10669 1 16 . 1 1 102 102 GLU N N 102 116.533 116.533 118.184 -1.651 18518 10670 1 16 . 1 1 102 102 GLU HA H 102 4.744 4.744 4.531 0.213 18518 10671 1 16 . 1 1 102 102 GLU C C 102 176.774 176.774 176.003 0.771 18518 10672 1 16 . 1 1 102 102 GLU CA C 102 55.581 55.581 54.877 0.704 18518 10673 1 16 . 1 1 102 102 GLU CB C 102 30.697 30.697 30.408 0.289 18518 10674 1 16 . 1 1 102 102 GLU H H 102 8.487 8.487 7.960 0.527 18518 10675 1 16 . 1 1 103 103 LYS N N 103 118.370 118.370 120.263 -1.893 18518 10676 1 16 . 1 1 103 103 LYS HA H 103 4.178 4.178 3.832 0.346 18518 10677 1 16 . 1 1 103 103 LYS C C 103 175.018 175.018 176.753 -1.735 18518 10678 1 16 . 1 1 103 103 LYS CA C 103 57.329 57.329 56.809 0.520 18518 10679 1 16 . 1 1 103 103 LYS CB C 103 32.186 32.186 31.502 0.684 18518 10680 1 16 . 1 1 103 103 LYS H H 103 7.831 7.831 7.536 0.295 18518 10681 1 16 . 1 1 104 104 ASP N N 104 123.500 123.500 124.419 -0.919 18518 10682 1 16 . 1 1 104 104 ASP HA H 104 4.755 4.755 4.550 0.205 18518 10683 1 16 . 1 1 104 104 ASP C C 104 177.383 177.383 178.071 -0.688 18518 10684 1 16 . 1 1 104 104 ASP CA C 104 53.846 53.846 53.740 0.105 18518 10685 1 16 . 1 1 104 104 ASP CB C 104 43.411 43.411 42.616 0.795 18518 10686 1 16 . 1 1 104 104 ASP H H 104 9.041 9.041 7.947 1.094 18518 10687 1 16 . 1 1 105 105 GLU N N 105 125.448 125.448 120.649 4.799 18518 10688 1 16 . 1 1 105 105 GLU HA H 105 4.180 4.180 4.090 0.090 18518 10689 1 16 . 1 1 105 105 GLU C C 105 177.519 177.519 176.399 1.120 18518 10690 1 16 . 1 1 105 105 GLU CA C 105 59.529 59.529 58.864 0.666 18518 10691 1 16 . 1 1 105 105 GLU CB C 105 30.044 30.044 29.457 0.587 18518 10692 1 16 . 1 1 105 105 GLU H H 105 8.906 8.906 8.834 0.072 18518 10693 1 16 . 1 1 106 106 ASP N N 106 118.824 118.824 117.976 0.848 18518 10694 1 16 . 1 1 106 106 ASP HA H 106 4.179 4.179 4.646 -0.467 18518 10695 1 16 . 1 1 106 106 ASP C C 106 176.223 176.223 177.056 -0.833 18518 10696 1 16 . 1 1 106 106 ASP CA C 106 54.756 54.756 54.311 0.445 18518 10697 1 16 . 1 1 106 106 ASP CB C 106 39.999 39.999 41.026 -1.026 18518 10698 1 16 . 1 1 106 106 ASP H H 106 10.036 10.036 8.191 1.845 18518 10699 1 16 . 1 1 107 107 GLY N N 107 105.866 105.866 106.915 -1.049 18518 10700 1 16 . 1 1 107 107 GLY C C 107 175.136 175.136 173.984 1.152 18518 10701 1 16 . 1 1 107 107 GLY CA C 107 45.222 45.222 45.515 -0.293 18518 10702 1 16 . 1 1 107 107 GLY H H 107 8.001 8.001 7.832 0.169 18518 10703 1 16 . 1 1 108 108 PHE N N 108 123.820 123.820 119.421 4.399 18518 10704 1 16 . 1 1 108 108 PHE HA H 108 4.662 4.662 5.176 -0.514 18518 10705 1 16 . 1 1 108 108 PHE C C 108 174.899 174.899 174.658 0.241 18518 10706 1 16 . 1 1 108 108 PHE CA C 108 60.238 60.238 57.590 2.648 18518 10707 1 16 . 1 1 108 108 PHE CB C 108 40.365 40.365 41.377 -1.012 18518 10708 1 16 . 1 1 108 108 PHE H H 108 9.912 9.912 7.864 2.048 18518 10709 1 16 . 1 1 109 109 LEU N N 109 120.130 120.130 121.418 -1.288 18518 10710 1 16 . 1 1 109 109 LEU HA H 109 5.030 5.030 4.844 0.186 18518 10711 1 16 . 1 1 109 109 LEU C C 109 173.916 173.916 174.735 -0.819 18518 10712 1 16 . 1 1 109 109 LEU CA C 109 53.424 53.424 54.163 -0.739 18518 10713 1 16 . 1 1 109 109 LEU CB C 109 45.203 45.203 44.871 0.332 18518 10714 1 16 . 1 1 109 109 LEU H H 109 7.997 7.997 8.789 -0.792 18518 10715 1 16 . 1 1 110 110 TYR N N 110 126.579 126.579 127.198 -0.619 18518 10716 1 16 . 1 1 110 110 TYR HA H 110 5.003 5.003 4.878 0.125 18518 10717 1 16 . 1 1 110 110 TYR C C 110 176.671 176.671 175.339 1.332 18518 10718 1 16 . 1 1 110 110 TYR CA C 110 59.058 59.058 57.153 1.905 18518 10719 1 16 . 1 1 110 110 TYR CB C 110 39.556 39.556 39.249 0.307 18518 10720 1 16 . 1 1 110 110 TYR H H 110 9.377 9.377 8.976 0.401 18518 10721 1 16 . 1 1 111 111 MET N N 111 119.240 119.240 122.028 -2.788 18518 10722 1 16 . 1 1 111 111 MET HA H 111 5.486 5.486 5.164 0.322 18518 10723 1 16 . 1 1 111 111 MET C C 111 175.695 175.695 174.490 1.205 18518 10724 1 16 . 1 1 111 111 MET CA C 111 54.124 54.124 54.807 -0.683 18518 10725 1 16 . 1 1 111 111 MET CB C 111 36.960 36.960 37.637 -0.677 18518 10726 1 16 . 1 1 111 111 MET H H 111 9.658 9.658 9.228 0.430 18518 10727 1 16 . 1 1 112 112 VAL N N 112 119.865 119.865 119.172 0.693 18518 10728 1 16 . 1 1 112 112 VAL HA H 112 5.963 5.963 5.423 0.540 18518 10729 1 16 . 1 1 112 112 VAL C C 112 175.058 175.058 174.684 0.374 18518 10730 1 16 . 1 1 112 112 VAL CA C 112 58.911 58.911 59.879 -0.968 18518 10731 1 16 . 1 1 112 112 VAL CB C 112 36.051 36.051 35.225 0.826 18518 10732 1 16 . 1 1 112 112 VAL H H 112 8.794 8.794 9.151 -0.357 18518 10733 1 16 . 1 1 113 113 TYR N N 113 119.664 119.664 121.076 -1.412 18518 10734 1 16 . 1 1 113 113 TYR HA H 113 6.118 6.118 5.615 0.503 18518 10735 1 16 . 1 1 113 113 TYR C C 113 173.375 173.375 173.352 0.023 18518 10736 1 16 . 1 1 113 113 TYR CA C 113 54.153 54.153 55.292 -1.139 18518 10737 1 16 . 1 1 113 113 TYR CB C 113 43.312 43.312 42.017 1.295 18518 10738 1 16 . 1 1 113 113 TYR H H 113 8.315 8.315 8.572 -0.257 18518 10739 1 16 . 1 1 114 114 ALA N N 114 119.763 119.763 122.884 -3.121 18518 10740 1 16 . 1 1 114 114 ALA HA H 114 4.800 4.800 5.056 -0.256 18518 10741 1 16 . 1 1 114 114 ALA C C 114 176.216 176.216 175.382 0.834 18518 10742 1 16 . 1 1 114 114 ALA CA C 114 51.132 51.132 51.780 -0.648 18518 10743 1 16 . 1 1 114 114 ALA CB C 114 24.596 24.596 22.287 2.309 18518 10744 1 16 . 1 1 114 114 ALA H H 114 8.465 8.465 8.980 -0.515 18518 10745 1 16 . 1 1 115 115 SER N N 115 114.763 114.763 116.406 -1.643 18518 10746 1 16 . 1 1 115 115 SER HA H 115 4.496 4.496 4.877 -0.381 18518 10747 1 16 . 1 1 115 115 SER C C 115 172.671 172.671 173.788 -1.117 18518 10748 1 16 . 1 1 115 115 SER CA C 115 58.651 58.651 58.064 0.587 18518 10749 1 16 . 1 1 115 115 SER CB C 115 63.526 63.526 61.714 1.812 18518 10750 1 16 . 1 1 115 115 SER H H 115 9.915 9.915 9.116 0.799 18518 10751 1 16 . 1 1 116 116 GLN N N 116 116.611 116.611 125.161 -8.550 18518 10752 1 16 . 1 1 116 116 GLN HA H 116 4.484 4.484 4.312 0.172 18518 10753 1 16 . 1 1 116 116 GLN C C 116 172.733 172.733 173.869 -1.136 18518 10754 1 16 . 1 1 116 116 GLN CA C 116 53.926 53.926 56.218 -2.292 18518 10755 1 16 . 1 1 116 116 GLN CB C 116 32.358 32.358 30.981 1.377 18518 10756 1 16 . 1 1 116 116 GLN H H 116 7.219 7.219 7.989 -0.770 18518 10757 1 16 . 1 1 117 117 GLU N N 117 117.623 117.623 122.543 -4.920 18518 10758 1 16 . 1 1 117 117 GLU HA H 117 3.287 3.287 2.372 0.915 18518 10759 1 16 . 1 1 117 117 GLU C C 117 175.168 175.168 175.366 -0.198 18518 10760 1 16 . 1 1 117 117 GLU CA C 117 56.882 56.882 57.750 -0.868 18518 10761 1 16 . 1 1 117 117 GLU CB C 117 30.522 30.522 29.365 1.157 18518 10762 1 16 . 1 1 117 117 GLU H H 117 7.882 7.882 8.356 -0.474 18518 10763 1 16 . 1 1 118 118 THR N N 118 109.820 109.820 110.725 -0.905 18518 10764 1 16 . 1 1 118 118 THR HA H 118 4.066 4.066 4.021 0.045 18518 10765 1 16 . 1 1 118 118 THR C C 118 172.355 172.355 173.183 -0.828 18518 10766 1 16 . 1 1 118 118 THR CA C 118 60.029 60.029 60.614 -0.585 18518 10767 1 16 . 1 1 118 118 THR CB C 118 70.480 70.480 68.571 1.909 18518 10768 1 16 . 1 1 118 118 THR H H 118 6.992 6.992 7.217 -0.225 18518 10769 1 17 . 1 1 2 2 ALA HA H 2 4.336 4.336 5.281 -0.945 18518 10770 1 17 . 1 1 2 2 ALA C C 2 177.974 177.974 176.734 1.240 18518 10771 1 17 . 1 1 2 2 ALA CA C 2 52.785 52.785 51.234 1.551 18518 10772 1 17 . 1 1 2 2 ALA CB C 2 19.444 19.444 20.248 -0.804 18518 10773 1 17 . 1 1 3 3 MET N N 3 119.311 119.311 119.237 0.074 18518 10774 1 17 . 1 1 3 3 MET HA H 3 4.451 4.451 4.936 -0.485 18518 10775 1 17 . 1 1 3 3 MET C C 3 176.913 176.913 176.094 0.819 18518 10776 1 17 . 1 1 3 3 MET CA C 3 55.679 55.679 54.931 0.748 18518 10777 1 17 . 1 1 3 3 MET CB C 3 32.590 32.590 34.825 -2.235 18518 10778 1 17 . 1 1 3 3 MET H H 3 8.638 8.638 9.015 -0.377 18518 10779 1 17 . 1 1 4 4 GLY N N 4 110.281 110.281 109.298 0.983 18518 10780 1 17 . 1 1 4 4 GLY C C 4 174.180 174.180 173.346 0.834 18518 10781 1 17 . 1 1 4 4 GLY CA C 4 45.495 45.495 44.566 0.929 18518 10782 1 17 . 1 1 4 4 GLY H H 4 8.552 8.552 8.405 0.147 18518 10783 1 17 . 1 1 5 5 LYS N N 5 120.818 120.818 120.601 0.217 18518 10784 1 17 . 1 1 5 5 LYS HA H 5 4.509 4.509 4.188 0.321 18518 10785 1 17 . 1 1 5 5 LYS C C 5 177.605 177.605 176.218 1.387 18518 10786 1 17 . 1 1 5 5 LYS CA C 5 56.134 56.134 56.089 0.045 18518 10787 1 17 . 1 1 5 5 LYS CB C 5 34.813 34.813 31.975 2.838 18518 10788 1 17 . 1 1 5 5 LYS H H 5 8.133 8.133 8.261 -0.128 18518 10789 1 17 . 1 1 6 6 THR N N 6 114.781 114.781 114.693 0.088 18518 10790 1 17 . 1 1 6 6 THR HA H 6 4.421 4.421 4.343 0.078 18518 10791 1 17 . 1 1 6 6 THR C C 6 175.524 175.524 175.789 -0.265 18518 10792 1 17 . 1 1 6 6 THR CA C 6 61.127 61.127 61.143 -0.016 18518 10793 1 17 . 1 1 6 6 THR CB C 6 69.926 69.926 70.241 -0.315 18518 10794 1 17 . 1 1 6 6 THR H H 6 8.483 8.483 7.880 0.603 18518 10795 1 17 . 1 1 7 7 PHE N N 7 125.552 125.552 119.892 5.660 18518 10796 1 17 . 1 1 7 7 PHE HA H 7 4.005 4.005 4.110 -0.105 18518 10797 1 17 . 1 1 7 7 PHE C C 7 177.397 177.397 176.737 0.660 18518 10798 1 17 . 1 1 7 7 PHE CA C 7 63.393 63.393 60.773 2.619 18518 10799 1 17 . 1 1 7 7 PHE CB C 7 39.567 39.567 38.139 1.428 18518 10800 1 17 . 1 1 7 7 PHE H H 7 10.245 10.245 9.022 1.223 18518 10801 1 17 . 1 1 8 8 LYS N N 8 114.053 114.053 118.698 -4.645 18518 10802 1 17 . 1 1 8 8 LYS HA H 8 3.835 3.835 3.762 0.073 18518 10803 1 17 . 1 1 8 8 LYS C C 8 175.520 175.520 179.234 -3.714 18518 10804 1 17 . 1 1 8 8 LYS CA C 8 59.993 59.993 58.872 1.121 18518 10805 1 17 . 1 1 8 8 LYS CB C 8 33.689 33.689 31.690 1.999 18518 10806 1 17 . 1 1 8 8 LYS H H 8 8.775 8.775 6.557 2.218 18518 10807 1 17 . 1 1 9 9 GLN N N 9 113.516 113.516 117.387 -3.871 18518 10808 1 17 . 1 1 9 9 GLN HA H 9 4.149 4.149 4.025 0.124 18518 10809 1 17 . 1 1 9 9 GLN C C 9 177.615 177.615 177.539 0.076 18518 10810 1 17 . 1 1 9 9 GLN CA C 9 56.819 56.819 58.479 -1.660 18518 10811 1 17 . 1 1 9 9 GLN CB C 9 30.019 30.019 28.882 1.137 18518 10812 1 17 . 1 1 9 9 GLN H H 9 7.355 7.355 7.301 0.054 18518 10813 1 17 . 1 1 10 10 ARG N N 10 118.294 118.294 115.759 2.535 18518 10814 1 17 . 1 1 10 10 ARG HA H 10 4.302 4.302 4.235 0.067 18518 10815 1 17 . 1 1 10 10 ARG C C 10 179.380 179.380 176.593 2.787 18518 10816 1 17 . 1 1 10 10 ARG CA C 10 57.268 57.268 56.554 0.714 18518 10817 1 17 . 1 1 10 10 ARG CB C 10 31.642 31.642 30.394 1.248 18518 10818 1 17 . 1 1 10 10 ARG H H 10 7.936 7.936 7.714 0.222 18518 10819 1 17 . 1 1 11 11 ARG N N 11 121.137 121.137 120.753 0.384 18518 10820 1 17 . 1 1 11 11 ARG HA H 11 4.680 4.680 4.728 -0.048 18518 10821 1 17 . 1 1 11 11 ARG CA C 11 53.453 53.453 53.766 -0.313 18518 10822 1 17 . 1 1 11 11 ARG CB C 11 32.938 32.938 32.452 0.486 18518 10823 1 17 . 1 1 11 11 ARG H H 11 7.390 7.390 7.462 -0.072 18518 10824 1 17 . 1 1 12 12 THR N N 12 116.819 116.819 120.854 -4.035 18518 10825 1 17 . 1 1 12 12 THR HA H 12 4.359 4.359 4.273 0.086 18518 10826 1 17 . 1 1 12 12 THR C C 12 174.989 174.989 175.657 -0.668 18518 10827 1 17 . 1 1 12 12 THR CA C 12 61.748 61.748 63.556 -1.808 18518 10828 1 17 . 1 1 12 12 THR CB C 12 71.068 71.068 69.637 1.431 18518 10829 1 17 . 1 1 12 12 THR H H 12 8.953 8.953 8.803 0.150 18518 10830 1 17 . 1 1 13 13 PHE N N 13 123.200 123.200 123.739 -0.539 18518 10831 1 17 . 1 1 13 13 PHE HA H 13 4.028 4.028 4.180 -0.152 18518 10832 1 17 . 1 1 13 13 PHE C C 13 176.029 176.029 176.912 -0.883 18518 10833 1 17 . 1 1 13 13 PHE CA C 13 62.864 62.864 62.785 0.079 18518 10834 1 17 . 1 1 13 13 PHE CB C 13 39.560 39.560 39.249 0.311 18518 10835 1 17 . 1 1 13 13 PHE H H 13 9.284 9.284 8.850 0.434 18518 10836 1 17 . 1 1 14 14 GLU N N 14 115.414 115.414 118.364 -2.950 18518 10837 1 17 . 1 1 14 14 GLU HA H 14 3.794 3.794 4.059 -0.265 18518 10838 1 17 . 1 1 14 14 GLU C C 14 180.081 180.081 179.114 0.967 18518 10839 1 17 . 1 1 14 14 GLU CA C 14 60.619 60.619 59.977 0.642 18518 10840 1 17 . 1 1 14 14 GLU CB C 14 28.852 28.852 28.411 0.441 18518 10841 1 17 . 1 1 14 14 GLU H H 14 8.973 8.973 8.858 0.115 18518 10842 1 17 . 1 1 15 15 GLN N N 15 119.276 119.276 118.778 0.498 18518 10843 1 17 . 1 1 15 15 GLN HA H 15 4.000 4.000 4.069 -0.069 18518 10844 1 17 . 1 1 15 15 GLN C C 15 177.978 177.978 178.760 -0.782 18518 10845 1 17 . 1 1 15 15 GLN CA C 15 58.835 58.835 58.940 -0.105 18518 10846 1 17 . 1 1 15 15 GLN CB C 15 29.370 29.370 28.102 1.268 18518 10847 1 17 . 1 1 15 15 GLN H H 15 7.756 7.756 8.705 -0.949 18518 10848 1 17 . 1 1 16 16 ARG N N 16 121.336 121.336 119.481 1.855 18518 10849 1 17 . 1 1 16 16 ARG HA H 16 4.270 4.270 4.221 0.049 18518 10850 1 17 . 1 1 16 16 ARG C C 16 177.416 177.416 178.804 -1.388 18518 10851 1 17 . 1 1 16 16 ARG CA C 16 61.375 61.375 59.651 1.724 18518 10852 1 17 . 1 1 16 16 ARG CB C 16 30.605 30.605 30.398 0.207 18518 10853 1 17 . 1 1 16 16 ARG H H 16 8.645 8.645 7.751 0.894 18518 10854 1 17 . 1 1 17 17 VAL N N 17 117.630 117.630 120.195 -2.565 18518 10855 1 17 . 1 1 17 17 VAL HA H 17 3.857 3.857 3.582 0.275 18518 10856 1 17 . 1 1 17 17 VAL C C 17 179.748 179.748 178.123 1.625 18518 10857 1 17 . 1 1 17 17 VAL CA C 17 65.726 65.726 66.433 -0.708 18518 10858 1 17 . 1 1 17 17 VAL CB C 17 32.194 32.194 31.643 0.551 18518 10859 1 17 . 1 1 17 17 VAL H H 17 8.373 8.373 8.076 0.297 18518 10860 1 17 . 1 1 18 18 GLU N N 18 120.864 120.864 119.901 0.963 18518 10861 1 17 . 1 1 18 18 GLU HA H 18 4.302 4.302 3.939 0.363 18518 10862 1 17 . 1 1 18 18 GLU C C 18 177.728 177.728 178.837 -1.109 18518 10863 1 17 . 1 1 18 18 GLU CA C 18 58.486 58.486 60.136 -1.650 18518 10864 1 17 . 1 1 18 18 GLU CB C 18 29.382 29.382 29.450 -0.068 18518 10865 1 17 . 1 1 18 18 GLU H H 18 7.368 7.368 8.664 -1.296 18518 10866 1 17 . 1 1 19 19 ASP N N 19 121.425 121.425 120.066 1.359 18518 10867 1 17 . 1 1 19 19 ASP HA H 19 4.434 4.434 4.480 -0.046 18518 10868 1 17 . 1 1 19 19 ASP C C 19 179.978 179.978 178.816 1.162 18518 10869 1 17 . 1 1 19 19 ASP CA C 19 57.422 57.422 57.405 0.017 18518 10870 1 17 . 1 1 19 19 ASP CB C 19 41.287 41.287 40.859 0.428 18518 10871 1 17 . 1 1 19 19 ASP H H 19 8.671 8.671 7.871 0.800 18518 10872 1 17 . 1 1 20 20 VAL N N 20 119.730 119.730 120.461 -0.731 18518 10873 1 17 . 1 1 20 20 VAL HA H 20 3.205 3.205 3.527 -0.322 18518 10874 1 17 . 1 1 20 20 VAL C C 20 176.284 176.284 177.055 -0.771 18518 10875 1 17 . 1 1 20 20 VAL CA C 20 66.315 66.315 65.635 0.681 18518 10876 1 17 . 1 1 20 20 VAL CB C 20 31.107 31.107 31.203 -0.096 18518 10877 1 17 . 1 1 20 20 VAL H H 20 7.999 7.999 7.703 0.296 18518 10878 1 17 . 1 1 21 21 ARG N N 21 121.455 121.455 119.825 1.630 18518 10879 1 17 . 1 1 21 21 ARG HA H 21 3.814 3.814 3.920 -0.106 18518 10880 1 17 . 1 1 21 21 ARG C C 21 180.120 180.120 178.609 1.511 18518 10881 1 17 . 1 1 21 21 ARG CA C 21 59.830 59.830 58.940 0.890 18518 10882 1 17 . 1 1 21 21 ARG CB C 21 29.946 29.946 29.187 0.759 18518 10883 1 17 . 1 1 21 21 ARG H H 21 8.098 8.098 8.214 -0.116 18518 10884 1 17 . 1 1 22 22 LEU N N 22 117.826 117.826 121.262 -3.436 18518 10885 1 17 . 1 1 22 22 LEU HA H 22 4.049 4.049 4.035 0.014 18518 10886 1 17 . 1 1 22 22 LEU C C 22 180.115 180.115 178.492 1.623 18518 10887 1 17 . 1 1 22 22 LEU CA C 22 57.790 57.790 57.880 -0.090 18518 10888 1 17 . 1 1 22 22 LEU CB C 22 42.142 42.142 41.754 0.388 18518 10889 1 17 . 1 1 22 22 LEU H H 22 8.207 8.207 7.840 0.367 18518 10890 1 17 . 1 1 23 23 ILE N N 23 121.450 121.450 119.067 2.383 18518 10891 1 17 . 1 1 23 23 ILE HA H 23 4.013 4.013 3.678 0.335 18518 10892 1 17 . 1 1 23 23 ILE C C 23 178.149 178.149 178.396 -0.247 18518 10893 1 17 . 1 1 23 23 ILE CA C 23 62.171 62.171 64.167 -1.996 18518 10894 1 17 . 1 1 23 23 ILE CB C 23 38.106 38.106 36.679 1.427 18518 10895 1 17 . 1 1 23 23 ILE H H 23 8.105 8.105 7.988 0.117 18518 10896 1 17 . 1 1 24 24 ARG N N 24 121.139 121.139 118.604 2.535 18518 10897 1 17 . 1 1 24 24 ARG HA H 24 3.987 3.987 4.099 -0.112 18518 10898 1 17 . 1 1 24 24 ARG C C 24 178.702 178.702 179.027 -0.325 18518 10899 1 17 . 1 1 24 24 ARG CA C 24 57.718 57.718 58.943 -1.225 18518 10900 1 17 . 1 1 24 24 ARG CB C 24 28.769 28.769 29.675 -0.906 18518 10901 1 17 . 1 1 24 24 ARG H H 24 8.601 8.601 8.462 0.139 18518 10902 1 17 . 1 1 25 25 GLU N N 25 118.054 118.054 119.452 -1.398 18518 10903 1 17 . 1 1 25 25 GLU HA H 25 4.026 4.026 4.156 -0.130 18518 10904 1 17 . 1 1 25 25 GLU C C 25 178.492 178.492 178.256 0.236 18518 10905 1 17 . 1 1 25 25 GLU CA C 25 58.780 58.780 58.443 0.337 18518 10906 1 17 . 1 1 25 25 GLU CB C 25 30.001 30.001 29.541 0.460 18518 10907 1 17 . 1 1 25 25 GLU H H 25 7.423 7.423 7.771 -0.348 18518 10908 1 17 . 1 1 26 26 GLN N N 26 116.350 116.350 116.647 -0.297 18518 10909 1 17 . 1 1 26 26 GLN HA H 26 3.936 3.936 4.034 -0.098 18518 10910 1 17 . 1 1 26 26 GLN C C 26 176.305 176.305 176.813 -0.508 18518 10911 1 17 . 1 1 26 26 GLN CA C 26 57.503 57.503 57.303 0.200 18518 10912 1 17 . 1 1 26 26 GLN CB C 26 30.207 30.207 29.261 0.946 18518 10913 1 17 . 1 1 26 26 GLN H H 26 7.524 7.524 7.819 -0.295 18518 10914 1 17 . 1 1 27 27 HIS N N 27 116.017 116.017 118.053 -2.036 18518 10915 1 17 . 1 1 27 27 HIS HA H 27 4.930 4.930 5.159 -0.229 18518 10916 1 17 . 1 1 27 27 HIS CA C 27 53.054 53.054 52.461 0.593 18518 10917 1 17 . 1 1 27 27 HIS CB C 27 30.747 30.747 30.447 0.300 18518 10918 1 17 . 1 1 27 27 HIS H H 27 8.284 8.284 8.135 0.149 18518 10919 1 17 . 1 1 28 28 PRO HA H 28 4.581 4.581 4.684 -0.103 18518 10920 1 17 . 1 1 28 28 PRO CA C 28 64.919 64.919 63.940 0.979 18518 10921 1 17 . 1 1 28 28 PRO CB C 28 32.455 32.455 31.970 0.485 18518 10922 1 17 . 1 1 29 29 THR N N 29 107.011 107.011 106.141 0.870 18518 10923 1 17 . 1 1 29 29 THR HA H 29 4.599 4.599 4.556 0.043 18518 10924 1 17 . 1 1 29 29 THR C C 29 172.884 172.884 173.869 -0.985 18518 10925 1 17 . 1 1 29 29 THR CA C 29 60.810 60.810 61.561 -0.751 18518 10926 1 17 . 1 1 29 29 THR CB C 29 68.531 68.531 68.967 -0.436 18518 10927 1 17 . 1 1 29 29 THR H H 29 7.890 7.890 8.112 -0.222 18518 10928 1 17 . 1 1 30 30 LYS N N 30 117.679 117.679 121.236 -3.557 18518 10929 1 17 . 1 1 30 30 LYS HA H 30 4.858 4.858 4.979 -0.121 18518 10930 1 17 . 1 1 30 30 LYS C C 30 174.310 174.310 174.898 -0.588 18518 10931 1 17 . 1 1 30 30 LYS CA C 30 53.751 53.751 54.144 -0.393 18518 10932 1 17 . 1 1 30 30 LYS CB C 30 35.804 35.804 36.435 -0.631 18518 10933 1 17 . 1 1 30 30 LYS H H 30 7.441 7.441 7.734 -0.293 18518 10934 1 17 . 1 1 31 31 ILE N N 31 122.849 122.849 122.261 0.588 18518 10935 1 17 . 1 1 31 31 ILE HA H 31 4.105 4.105 4.497 -0.392 18518 10936 1 17 . 1 1 31 31 ILE CA C 31 54.801 54.801 58.276 -3.475 18518 10937 1 17 . 1 1 31 31 ILE CB C 31 38.265 38.265 39.459 -1.194 18518 10938 1 17 . 1 1 31 31 ILE H H 31 9.304 9.304 9.018 0.286 18518 10939 1 17 . 1 1 32 32 PRO HA H 32 5.159 5.159 4.742 0.417 18518 10940 1 17 . 1 1 32 32 PRO C C 32 174.164 174.164 175.566 -1.402 18518 10941 1 17 . 1 1 32 32 PRO CA C 32 61.503 61.503 62.331 -0.828 18518 10942 1 17 . 1 1 32 32 PRO CB C 32 31.145 31.145 31.163 -0.018 18518 10943 1 17 . 1 1 33 33 VAL N N 33 125.606 125.606 125.845 -0.239 18518 10944 1 17 . 1 1 33 33 VAL HA H 33 5.213 5.213 5.141 0.072 18518 10945 1 17 . 1 1 33 33 VAL C C 33 173.654 173.654 173.831 -0.177 18518 10946 1 17 . 1 1 33 33 VAL CA C 33 60.044 60.044 59.389 0.655 18518 10947 1 17 . 1 1 33 33 VAL CB C 33 35.604 35.604 36.292 -0.688 18518 10948 1 17 . 1 1 33 33 VAL H H 33 9.424 9.424 8.550 0.874 18518 10949 1 17 . 1 1 34 34 ILE N N 34 128.241 128.241 127.185 1.056 18518 10950 1 17 . 1 1 34 34 ILE HA H 34 4.833 4.833 4.476 0.357 18518 10951 1 17 . 1 1 34 34 ILE C C 34 175.605 175.605 174.349 1.256 18518 10952 1 17 . 1 1 34 34 ILE CA C 34 56.765 56.765 58.351 -1.586 18518 10953 1 17 . 1 1 34 34 ILE CB C 34 36.799 36.799 38.014 -1.215 18518 10954 1 17 . 1 1 34 34 ILE H H 34 8.721 8.721 9.078 -0.357 18518 10955 1 17 . 1 1 35 35 ILE N N 35 125.650 125.650 127.773 -2.123 18518 10956 1 17 . 1 1 35 35 ILE HA H 35 4.836 4.836 4.763 0.073 18518 10957 1 17 . 1 1 35 35 ILE C C 35 174.887 174.887 174.340 0.547 18518 10958 1 17 . 1 1 35 35 ILE CA C 35 60.945 60.945 59.823 1.122 18518 10959 1 17 . 1 1 35 35 ILE CB C 35 39.210 39.210 40.943 -1.733 18518 10960 1 17 . 1 1 35 35 ILE H H 35 9.034 9.034 8.992 0.042 18518 10961 1 17 . 1 1 36 36 GLU N N 36 122.657 122.657 125.344 -2.687 18518 10962 1 17 . 1 1 36 36 GLU HA H 36 4.861 4.861 4.799 0.062 18518 10963 1 17 . 1 1 36 36 GLU C C 36 173.848 173.848 174.357 -0.509 18518 10964 1 17 . 1 1 36 36 GLU CA C 36 53.932 53.932 54.102 -0.170 18518 10965 1 17 . 1 1 36 36 GLU CB C 36 35.282 35.282 34.092 1.190 18518 10966 1 17 . 1 1 36 36 GLU H H 36 8.303 8.303 8.675 -0.372 18518 10967 1 17 . 1 1 37 37 ARG N N 37 123.228 123.228 123.816 -0.588 18518 10968 1 17 . 1 1 37 37 ARG HA H 37 2.726 2.726 2.982 -0.256 18518 10969 1 17 . 1 1 37 37 ARG C C 37 176.359 176.359 175.572 0.787 18518 10970 1 17 . 1 1 37 37 ARG CA C 37 56.359 56.359 56.195 0.164 18518 10971 1 17 . 1 1 37 37 ARG CB C 37 31.341 31.341 30.768 0.573 18518 10972 1 17 . 1 1 37 37 ARG H H 37 8.856 8.856 8.436 0.420 18518 10973 1 17 . 1 1 38 38 TYR N N 38 128.981 128.981 127.982 0.999 18518 10974 1 17 . 1 1 38 38 TYR HA H 38 4.352 4.352 4.196 0.156 18518 10975 1 17 . 1 1 38 38 TYR C C 38 177.316 177.316 176.267 1.049 18518 10976 1 17 . 1 1 38 38 TYR CA C 38 57.712 57.712 57.874 -0.162 18518 10977 1 17 . 1 1 38 38 TYR CB C 38 39.472 39.472 39.808 -0.336 18518 10978 1 17 . 1 1 38 38 TYR H H 38 8.628 8.628 8.258 0.370 18518 10979 1 17 . 1 1 39 39 LYS N N 39 130.635 130.635 127.132 3.503 18518 10980 1 17 . 1 1 39 39 LYS HA H 39 3.822 3.822 3.801 0.021 18518 10981 1 17 . 1 1 39 39 LYS CA C 39 58.887 58.887 58.282 0.605 18518 10982 1 17 . 1 1 39 39 LYS CB C 39 31.771 31.771 31.972 -0.201 18518 10983 1 17 . 1 1 39 39 LYS H H 39 8.594 8.594 8.440 0.154 18518 10984 1 17 . 1 1 40 40 GLY C C 40 173.447 173.447 174.128 -0.681 18518 10985 1 17 . 1 1 40 40 GLY CA C 40 44.663 44.663 43.985 0.678 18518 10986 1 17 . 1 1 40 40 GLY H H 40 5.188 5.188 6.382 -1.194 18518 10987 1 17 . 1 1 41 41 GLU N N 41 122.836 122.836 120.746 2.090 18518 10988 1 17 . 1 1 41 41 GLU HA H 41 4.257 4.257 4.264 -0.007 18518 10989 1 17 . 1 1 41 41 GLU C C 41 176.524 176.524 176.262 0.262 18518 10990 1 17 . 1 1 41 41 GLU CA C 41 56.525 56.525 56.591 -0.066 18518 10991 1 17 . 1 1 41 41 GLU CB C 41 30.985 30.985 29.555 1.431 18518 10992 1 17 . 1 1 41 41 GLU H H 41 7.380 7.380 7.668 -0.288 18518 10993 1 17 . 1 1 42 42 LYS N N 42 124.040 124.040 125.970 -1.930 18518 10994 1 17 . 1 1 42 42 LYS HA H 42 4.675 4.675 4.467 0.208 18518 10995 1 17 . 1 1 42 42 LYS C C 42 177.538 177.538 176.867 0.671 18518 10996 1 17 . 1 1 42 42 LYS CA C 42 55.840 55.840 56.644 -0.804 18518 10997 1 17 . 1 1 42 42 LYS CB C 42 34.979 34.979 32.921 2.058 18518 10998 1 17 . 1 1 42 42 LYS H H 42 9.034 9.034 8.462 0.572 18518 10999 1 17 . 1 1 43 43 GLN N N 43 119.259 119.259 117.671 1.588 18518 11000 1 17 . 1 1 43 43 GLN HA H 43 4.542 4.542 4.433 0.109 18518 11001 1 17 . 1 1 43 43 GLN C C 43 177.336 177.336 176.227 1.109 18518 11002 1 17 . 1 1 43 43 GLN CA C 43 57.673 57.673 56.375 1.298 18518 11003 1 17 . 1 1 43 43 GLN CB C 43 30.782 30.782 30.422 0.360 18518 11004 1 17 . 1 1 43 43 GLN H H 43 8.435 8.435 9.073 -0.638 18518 11005 1 17 . 1 1 44 44 LEU N N 44 120.760 120.760 124.121 -3.361 18518 11006 1 17 . 1 1 44 44 LEU HA H 44 4.695 4.695 4.834 -0.139 18518 11007 1 17 . 1 1 44 44 LEU CA C 44 53.245 53.245 52.641 0.604 18518 11008 1 17 . 1 1 44 44 LEU CB C 44 43.596 43.596 41.628 1.968 18518 11009 1 17 . 1 1 44 44 LEU H H 44 9.126 9.126 8.309 0.817 18518 11010 1 17 . 1 1 45 45 PRO HA H 45 4.717 4.717 4.523 0.194 18518 11011 1 17 . 1 1 45 45 PRO C C 45 175.797 175.797 175.868 -0.071 18518 11012 1 17 . 1 1 45 45 PRO CA C 45 62.111 62.111 62.334 -0.223 18518 11013 1 17 . 1 1 45 45 PRO CB C 45 32.592 32.592 32.356 0.236 18518 11014 1 17 . 1 1 46 46 VAL N N 46 119.052 119.052 119.877 -0.825 18518 11015 1 17 . 1 1 46 46 VAL HA H 46 3.867 3.867 4.410 -0.543 18518 11016 1 17 . 1 1 46 46 VAL C C 46 175.640 175.640 176.528 -0.888 18518 11017 1 17 . 1 1 46 46 VAL CA C 46 62.944 62.944 61.223 1.721 18518 11018 1 17 . 1 1 46 46 VAL CB C 46 32.799 32.799 33.406 -0.607 18518 11019 1 17 . 1 1 46 46 VAL H H 46 8.543 8.543 8.081 0.462 18518 11020 1 17 . 1 1 47 47 LEU N N 47 130.203 130.203 126.740 3.463 18518 11021 1 17 . 1 1 47 47 LEU HA H 47 4.309 4.309 4.539 -0.230 18518 11022 1 17 . 1 1 47 47 LEU C C 47 176.198 176.198 177.421 -1.223 18518 11023 1 17 . 1 1 47 47 LEU CA C 47 55.006 55.006 55.004 0.002 18518 11024 1 17 . 1 1 47 47 LEU CB C 47 43.832 43.832 42.676 1.156 18518 11025 1 17 . 1 1 47 47 LEU H H 47 7.799 7.799 8.586 -0.787 18518 11026 1 17 . 1 1 48 48 ASP N N 48 122.403 122.403 119.774 2.629 18518 11027 1 17 . 1 1 48 48 ASP HA H 48 4.263 4.263 4.563 -0.300 18518 11028 1 17 . 1 1 48 48 ASP C C 48 175.294 175.294 175.559 -0.265 18518 11029 1 17 . 1 1 48 48 ASP CA C 48 55.832 55.832 56.060 -0.228 18518 11030 1 17 . 1 1 48 48 ASP CB C 48 40.184 40.184 41.369 -1.185 18518 11031 1 17 . 1 1 48 48 ASP H H 48 8.780 8.780 8.509 0.271 18518 11032 1 17 . 1 1 49 49 LYS N N 49 119.569 119.569 116.706 2.863 18518 11033 1 17 . 1 1 49 49 LYS HA H 49 4.585 4.585 4.463 0.122 18518 11034 1 17 . 1 1 49 49 LYS C C 49 174.678 174.678 175.798 -1.120 18518 11035 1 17 . 1 1 49 49 LYS CA C 49 53.652 53.652 55.085 -1.433 18518 11036 1 17 . 1 1 49 49 LYS CB C 49 35.945 35.945 34.363 1.582 18518 11037 1 17 . 1 1 49 49 LYS H H 49 7.280 7.280 7.498 -0.218 18518 11038 1 17 . 1 1 50 50 THR N N 50 110.862 110.862 109.951 0.911 18518 11039 1 17 . 1 1 50 50 THR HA H 50 4.811 4.811 4.662 0.149 18518 11040 1 17 . 1 1 50 50 THR C C 50 172.425 172.425 174.254 -1.829 18518 11041 1 17 . 1 1 50 50 THR CA C 50 62.645 62.645 62.578 0.067 18518 11042 1 17 . 1 1 50 50 THR CB C 50 71.648 71.648 70.204 1.444 18518 11043 1 17 . 1 1 50 50 THR H H 50 8.042 8.042 8.171 -0.129 18518 11044 1 17 . 1 1 51 51 LYS N N 51 120.008 120.008 122.383 -2.375 18518 11045 1 17 . 1 1 51 51 LYS HA H 51 4.625 4.625 4.537 0.088 18518 11046 1 17 . 1 1 51 51 LYS C C 51 175.082 175.082 175.852 -0.770 18518 11047 1 17 . 1 1 51 51 LYS CA C 51 54.704 54.704 56.810 -2.106 18518 11048 1 17 . 1 1 51 51 LYS CB C 51 32.376 32.376 32.900 -0.524 18518 11049 1 17 . 1 1 51 51 LYS H H 51 7.119 7.119 7.616 -0.497 18518 11050 1 17 . 1 1 52 52 PHE N N 52 122.640 122.640 123.973 -1.333 18518 11051 1 17 . 1 1 52 52 PHE HA H 52 5.337 5.337 4.719 0.618 18518 11052 1 17 . 1 1 52 52 PHE C C 52 174.213 174.213 173.900 0.313 18518 11053 1 17 . 1 1 52 52 PHE CA C 52 56.611 56.611 56.566 0.045 18518 11054 1 17 . 1 1 52 52 PHE CB C 52 43.140 43.140 43.057 0.083 18518 11055 1 17 . 1 1 52 52 PHE H H 52 9.709 9.709 9.160 0.549 18518 11056 1 17 . 1 1 53 53 LEU N N 53 122.157 122.157 122.217 -0.060 18518 11057 1 17 . 1 1 53 53 LEU HA H 53 4.947 4.947 5.188 -0.241 18518 11058 1 17 . 1 1 53 53 LEU C C 53 175.769 175.769 175.626 0.143 18518 11059 1 17 . 1 1 53 53 LEU CA C 53 52.957 52.957 53.703 -0.746 18518 11060 1 17 . 1 1 53 53 LEU CB C 53 44.415 44.415 44.165 0.250 18518 11061 1 17 . 1 1 53 53 LEU H H 53 8.959 8.959 8.336 0.623 18518 11062 1 17 . 1 1 54 54 VAL N N 54 124.919 124.919 124.751 0.168 18518 11063 1 17 . 1 1 54 54 VAL HA H 54 4.559 4.559 4.592 -0.033 18518 11064 1 17 . 1 1 54 54 VAL CA C 54 59.130 59.130 58.244 0.886 18518 11065 1 17 . 1 1 54 54 VAL CB C 54 34.968 34.968 34.647 0.321 18518 11066 1 17 . 1 1 54 54 VAL H H 54 8.922 8.922 8.671 0.251 18518 11067 1 17 . 1 1 55 55 PRO HA H 55 4.441 4.441 4.866 -0.425 18518 11068 1 17 . 1 1 55 55 PRO C C 55 176.594 176.594 177.815 -1.221 18518 11069 1 17 . 1 1 55 55 PRO CA C 55 64.315 64.315 62.106 2.208 18518 11070 1 17 . 1 1 55 55 PRO CB C 55 32.665 32.665 32.119 0.546 18518 11071 1 17 . 1 1 56 56 ASP N N 56 120.522 120.522 123.297 -2.775 18518 11072 1 17 . 1 1 56 56 ASP HA H 56 3.862 3.862 4.284 -0.422 18518 11073 1 17 . 1 1 56 56 ASP C C 56 175.809 175.809 176.628 -0.819 18518 11074 1 17 . 1 1 56 56 ASP CA C 56 56.749 56.749 56.880 -0.131 18518 11075 1 17 . 1 1 56 56 ASP CB C 56 40.510 40.510 40.342 0.168 18518 11076 1 17 . 1 1 56 56 ASP H H 56 8.347 8.347 8.429 -0.082 18518 11077 1 17 . 1 1 57 57 HIS N N 57 113.482 113.482 114.987 -1.505 18518 11078 1 17 . 1 1 57 57 HIS HA H 57 4.720 4.720 4.703 0.017 18518 11079 1 17 . 1 1 57 57 HIS C C 57 176.507 176.507 174.976 1.531 18518 11080 1 17 . 1 1 57 57 HIS CA C 57 55.589 55.589 56.075 -0.486 18518 11081 1 17 . 1 1 57 57 HIS CB C 57 30.643 30.643 30.057 0.586 18518 11082 1 17 . 1 1 57 57 HIS H H 57 7.557 7.557 8.195 -0.638 18518 11083 1 17 . 1 1 58 58 VAL N N 58 123.279 123.279 122.182 1.097 18518 11084 1 17 . 1 1 58 58 VAL HA H 58 3.836 3.836 4.217 -0.381 18518 11085 1 17 . 1 1 58 58 VAL C C 58 175.019 175.019 174.662 0.357 18518 11086 1 17 . 1 1 58 58 VAL CA C 58 62.823 62.823 60.519 2.304 18518 11087 1 17 . 1 1 58 58 VAL CB C 58 32.310 32.310 33.953 -1.643 18518 11088 1 17 . 1 1 58 58 VAL H H 58 7.345 7.345 7.456 -0.111 18518 11089 1 17 . 1 1 59 59 ASN N N 59 123.781 123.781 119.575 4.206 18518 11090 1 17 . 1 1 59 59 ASN HA H 59 5.126 5.126 5.001 0.125 18518 11091 1 17 . 1 1 59 59 ASN C C 59 176.558 176.558 176.387 0.171 18518 11092 1 17 . 1 1 59 59 ASN CA C 59 51.485 51.485 51.346 0.139 18518 11093 1 17 . 1 1 59 59 ASN CB C 59 40.107 40.107 40.486 -0.379 18518 11094 1 17 . 1 1 59 59 ASN H H 59 8.735 8.735 8.099 0.636 18518 11095 1 17 . 1 1 60 60 MET N N 60 117.453 117.453 118.437 -0.984 18518 11096 1 17 . 1 1 60 60 MET HA H 60 4.395 4.395 4.120 0.275 18518 11097 1 17 . 1 1 60 60 MET C C 60 178.144 178.144 178.296 -0.152 18518 11098 1 17 . 1 1 60 60 MET CA C 60 57.097 57.097 57.636 -0.539 18518 11099 1 17 . 1 1 60 60 MET CB C 60 30.140 30.140 30.962 -0.822 18518 11100 1 17 . 1 1 60 60 MET H H 60 8.227 8.227 8.312 -0.085 18518 11101 1 17 . 1 1 61 61 SER N N 61 114.216 114.216 115.460 -1.244 18518 11102 1 17 . 1 1 61 61 SER HA H 61 4.111 4.111 4.111 -0.000 18518 11103 1 17 . 1 1 61 61 SER C C 61 177.335 177.335 177.044 0.291 18518 11104 1 17 . 1 1 61 61 SER CA C 61 61.590 61.590 62.455 -0.865 18518 11105 1 17 . 1 1 61 61 SER CB C 61 62.402 62.402 62.853 -0.451 18518 11106 1 17 . 1 1 61 61 SER H H 61 8.464 8.464 8.575 -0.111 18518 11107 1 17 . 1 1 62 62 GLU N N 62 123.004 123.004 120.926 2.078 18518 11108 1 17 . 1 1 62 62 GLU HA H 62 4.047 4.047 4.107 -0.060 18518 11109 1 17 . 1 1 62 62 GLU C C 62 178.686 178.686 178.932 -0.246 18518 11110 1 17 . 1 1 62 62 GLU CA C 62 58.625 58.625 58.800 -0.175 18518 11111 1 17 . 1 1 62 62 GLU CB C 62 29.654 29.654 29.355 0.298 18518 11112 1 17 . 1 1 62 62 GLU H H 62 7.994 7.994 7.602 0.392 18518 11113 1 17 . 1 1 63 63 LEU N N 63 120.818 120.818 121.897 -1.079 18518 11114 1 17 . 1 1 63 63 LEU HA H 63 3.965 3.965 4.035 -0.070 18518 11115 1 17 . 1 1 63 63 LEU C C 63 178.046 178.046 178.814 -0.768 18518 11116 1 17 . 1 1 63 63 LEU CA C 63 57.920 57.920 58.065 -0.145 18518 11117 1 17 . 1 1 63 63 LEU CB C 63 41.624 41.624 41.378 0.246 18518 11118 1 17 . 1 1 63 63 LEU H H 63 8.130 8.130 7.778 0.352 18518 11119 1 17 . 1 1 64 64 ILE N N 64 118.528 118.528 119.486 -0.958 18518 11120 1 17 . 1 1 64 64 ILE HA H 64 3.369 3.369 3.616 -0.247 18518 11121 1 17 . 1 1 64 64 ILE C C 64 177.127 177.127 177.892 -0.765 18518 11122 1 17 . 1 1 64 64 ILE CA C 64 66.678 66.678 64.357 2.321 18518 11123 1 17 . 1 1 64 64 ILE CB C 64 38.444 38.444 36.333 2.111 18518 11124 1 17 . 1 1 64 64 ILE H H 64 8.488 8.488 8.692 -0.204 18518 11125 1 17 . 1 1 65 65 LYS N N 65 118.336 118.336 121.150 -2.814 18518 11126 1 17 . 1 1 65 65 LYS HA H 65 3.701 3.701 3.944 -0.243 18518 11127 1 17 . 1 1 65 65 LYS C C 65 179.291 179.291 179.100 0.191 18518 11128 1 17 . 1 1 65 65 LYS CA C 65 60.440 60.440 60.016 0.424 18518 11129 1 17 . 1 1 65 65 LYS CB C 65 32.371 32.371 32.234 0.137 18518 11130 1 17 . 1 1 65 65 LYS H H 65 7.347 7.347 7.587 -0.240 18518 11131 1 17 . 1 1 66 66 ILE N N 66 120.171 120.171 120.887 -0.716 18518 11132 1 17 . 1 1 66 66 ILE HA H 66 3.578 3.578 3.703 -0.125 18518 11133 1 17 . 1 1 66 66 ILE C C 66 178.873 178.873 178.203 0.670 18518 11134 1 17 . 1 1 66 66 ILE CA C 66 65.160 65.160 65.323 -0.163 18518 11135 1 17 . 1 1 66 66 ILE CB C 66 38.633 38.633 37.826 0.807 18518 11136 1 17 . 1 1 66 66 ILE H H 66 7.901 7.901 7.944 -0.043 18518 11137 1 17 . 1 1 67 67 ILE N N 67 121.185 121.185 120.268 0.917 18518 11138 1 17 . 1 1 67 67 ILE HA H 67 3.446 3.446 3.596 -0.150 18518 11139 1 17 . 1 1 67 67 ILE C C 67 177.150 177.150 177.981 -0.831 18518 11140 1 17 . 1 1 67 67 ILE CA C 67 62.806 62.806 64.545 -1.739 18518 11141 1 17 . 1 1 67 67 ILE CB C 67 34.995 34.995 37.240 -2.245 18518 11142 1 17 . 1 1 67 67 ILE H H 67 8.290 8.290 8.077 0.213 18518 11143 1 17 . 1 1 68 68 ARG N N 68 119.173 119.173 118.998 0.175 18518 11144 1 17 . 1 1 68 68 ARG HA H 68 2.931 2.931 3.808 -0.877 18518 11145 1 17 . 1 1 68 68 ARG C C 68 178.496 178.496 178.660 -0.164 18518 11146 1 17 . 1 1 68 68 ARG CA C 68 60.636 60.636 59.515 1.121 18518 11147 1 17 . 1 1 68 68 ARG CB C 68 30.440 30.440 29.859 0.581 18518 11148 1 17 . 1 1 68 68 ARG H H 68 8.438 8.438 8.141 0.297 18518 11149 1 17 . 1 1 69 69 ARG N N 69 116.511 116.511 120.072 -3.561 18518 11150 1 17 . 1 1 69 69 ARG HA H 69 4.134 4.134 3.958 0.176 18518 11151 1 17 . 1 1 69 69 ARG C C 69 180.262 180.262 178.613 1.649 18518 11152 1 17 . 1 1 69 69 ARG CA C 69 58.707 58.707 59.059 -0.352 18518 11153 1 17 . 1 1 69 69 ARG CB C 69 29.953 29.953 30.108 -0.155 18518 11154 1 17 . 1 1 69 69 ARG H H 69 7.497 7.497 8.353 -0.856 18518 11155 1 17 . 1 1 70 70 ARG N N 70 123.297 123.297 117.889 5.408 18518 11156 1 17 . 1 1 70 70 ARG HA H 70 4.016 4.016 4.134 -0.118 18518 11157 1 17 . 1 1 70 70 ARG C C 70 178.700 178.700 178.350 0.350 18518 11158 1 17 . 1 1 70 70 ARG CA C 70 59.460 59.460 58.446 1.014 18518 11159 1 17 . 1 1 70 70 ARG CB C 70 30.312 30.312 29.680 0.632 18518 11160 1 17 . 1 1 70 70 ARG H H 70 8.075 8.075 7.845 0.230 18518 11161 1 17 . 1 1 71 71 LEU N N 71 116.829 116.829 119.707 -2.878 18518 11162 1 17 . 1 1 71 71 LEU HA H 71 4.065 4.065 4.215 -0.150 18518 11163 1 17 . 1 1 71 71 LEU C C 71 174.956 174.956 176.077 -1.121 18518 11164 1 17 . 1 1 71 71 LEU CA C 71 55.126 55.126 55.448 -0.322 18518 11165 1 17 . 1 1 71 71 LEU CB C 71 43.246 43.246 42.578 0.667 18518 11166 1 17 . 1 1 71 71 LEU H H 71 7.719 7.719 7.809 -0.090 18518 11167 1 17 . 1 1 72 72 GLN N N 72 114.991 114.991 114.723 0.268 18518 11168 1 17 . 1 1 72 72 GLN HA H 72 3.836 3.836 3.847 -0.011 18518 11169 1 17 . 1 1 72 72 GLN C C 72 175.683 175.683 175.041 0.642 18518 11170 1 17 . 1 1 72 72 GLN CA C 72 56.325 56.325 56.198 0.127 18518 11171 1 17 . 1 1 72 72 GLN CB C 72 26.004 26.004 25.803 0.201 18518 11172 1 17 . 1 1 72 72 GLN H H 72 7.744 7.744 7.548 0.196 18518 11173 1 17 . 1 1 73 73 LEU N N 73 115.045 115.045 118.992 -3.947 18518 11174 1 17 . 1 1 73 73 LEU HA H 73 4.236 4.236 4.110 0.126 18518 11175 1 17 . 1 1 73 73 LEU C C 73 178.762 178.762 176.948 1.814 18518 11176 1 17 . 1 1 73 73 LEU CA C 73 54.386 54.386 55.343 -0.957 18518 11177 1 17 . 1 1 73 73 LEU CB C 73 42.091 42.091 42.235 -0.144 18518 11178 1 17 . 1 1 73 73 LEU H H 73 7.500 7.500 7.362 0.138 18518 11179 1 17 . 1 1 74 74 ASN N N 74 121.700 121.700 122.671 -0.971 18518 11180 1 17 . 1 1 74 74 ASN HA H 74 4.690 4.690 4.569 0.121 18518 11181 1 17 . 1 1 74 74 ASN C C 74 176.617 176.617 175.466 1.151 18518 11182 1 17 . 1 1 74 74 ASN CA C 74 52.685 52.685 53.755 -1.070 18518 11183 1 17 . 1 1 74 74 ASN CB C 74 39.598 39.598 39.047 0.551 18518 11184 1 17 . 1 1 74 74 ASN H H 74 9.045 9.045 8.476 0.569 18518 11185 1 17 . 1 1 75 75 ALA N N 75 123.952 123.952 121.416 2.536 18518 11186 1 17 . 1 1 75 75 ALA HA H 75 3.964 3.964 4.319 -0.355 18518 11187 1 17 . 1 1 75 75 ALA C C 75 178.131 178.131 177.234 0.897 18518 11188 1 17 . 1 1 75 75 ALA CA C 75 54.868 54.868 53.356 1.512 18518 11189 1 17 . 1 1 75 75 ALA CB C 75 18.718 18.718 19.808 -1.090 18518 11190 1 17 . 1 1 75 75 ALA H H 75 8.784 8.784 8.425 0.359 18518 11191 1 17 . 1 1 76 76 ASN N N 76 112.295 112.295 116.022 -3.727 18518 11192 1 17 . 1 1 76 76 ASN HA H 76 4.580 4.580 4.659 -0.079 18518 11193 1 17 . 1 1 76 76 ASN C C 76 175.448 175.448 174.603 0.845 18518 11194 1 17 . 1 1 76 76 ASN CA C 76 53.214 53.214 53.443 -0.229 18518 11195 1 17 . 1 1 76 76 ASN CB C 76 38.320 38.320 38.549 -0.229 18518 11196 1 17 . 1 1 76 76 ASN H H 76 8.391 8.391 8.327 0.064 18518 11197 1 17 . 1 1 77 77 GLN N N 77 120.577 120.577 118.940 1.637 18518 11198 1 17 . 1 1 77 77 GLN HA H 77 4.273 4.273 4.502 -0.229 18518 11199 1 17 . 1 1 77 77 GLN C C 77 175.045 175.045 173.578 1.467 18518 11200 1 17 . 1 1 77 77 GLN CA C 77 55.805 55.805 55.090 0.715 18518 11201 1 17 . 1 1 77 77 GLN CB C 77 30.157 30.157 31.176 -1.019 18518 11202 1 17 . 1 1 77 77 GLN H H 77 7.552 7.552 7.404 0.148 18518 11203 1 17 . 1 1 78 78 ALA N N 78 130.670 130.670 124.729 5.941 18518 11204 1 17 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.564 -0.393 18518 11205 1 17 . 1 1 78 78 ALA C C 78 176.512 176.512 175.619 0.893 18518 11206 1 17 . 1 1 78 78 ALA CA C 78 52.842 52.842 51.636 1.206 18518 11207 1 17 . 1 1 78 78 ALA CB C 78 20.060 20.060 20.979 -0.919 18518 11208 1 17 . 1 1 78 78 ALA H H 78 8.799 8.799 8.463 0.336 18518 11209 1 17 . 1 1 79 79 PHE N N 79 119.325 119.325 116.772 2.553 18518 11210 1 17 . 1 1 79 79 PHE HA H 79 4.434 4.434 4.803 -0.369 18518 11211 1 17 . 1 1 79 79 PHE C C 79 171.726 171.726 172.646 -0.920 18518 11212 1 17 . 1 1 79 79 PHE CA C 79 59.145 59.145 56.286 2.859 18518 11213 1 17 . 1 1 79 79 PHE CB C 79 42.171 42.171 40.632 1.539 18518 11214 1 17 . 1 1 79 79 PHE H H 79 7.664 7.664 8.122 -0.458 18518 11215 1 17 . 1 1 80 80 PHE N N 80 126.314 126.314 116.750 9.564 18518 11216 1 17 . 1 1 80 80 PHE HA H 80 4.392 4.392 4.391 0.001 18518 11217 1 17 . 1 1 80 80 PHE C C 80 177.169 177.169 172.846 4.323 18518 11218 1 17 . 1 1 80 80 PHE CA C 80 56.653 56.653 56.731 -0.078 18518 11219 1 17 . 1 1 80 80 PHE CB C 80 41.933 41.933 43.196 -1.263 18518 11220 1 17 . 1 1 80 80 PHE H H 80 8.508 8.508 8.270 0.238 18518 11221 1 17 . 1 1 81 81 LEU N N 81 121.426 121.426 121.929 -0.503 18518 11222 1 17 . 1 1 81 81 LEU HA H 81 4.851 4.851 4.918 -0.067 18518 11223 1 17 . 1 1 81 81 LEU C C 81 174.488 174.488 175.023 -0.535 18518 11224 1 17 . 1 1 81 81 LEU CA C 81 53.197 53.197 54.232 -1.035 18518 11225 1 17 . 1 1 81 81 LEU CB C 81 45.100 45.100 44.600 0.500 18518 11226 1 17 . 1 1 81 81 LEU H H 81 8.229 8.229 8.365 -0.136 18518 11227 1 17 . 1 1 82 82 LEU N N 82 125.155 125.155 127.109 -1.954 18518 11228 1 17 . 1 1 82 82 LEU HA H 82 4.833 4.833 4.570 0.263 18518 11229 1 17 . 1 1 82 82 LEU C C 82 177.166 177.166 175.746 1.420 18518 11230 1 17 . 1 1 82 82 LEU CA C 82 54.197 54.197 54.050 0.147 18518 11231 1 17 . 1 1 82 82 LEU CB C 82 43.442 43.442 43.968 -0.526 18518 11232 1 17 . 1 1 82 82 LEU H H 82 9.400 9.400 9.148 0.252 18518 11233 1 17 . 1 1 83 83 VAL N N 83 123.886 123.886 121.230 2.656 18518 11234 1 17 . 1 1 83 83 VAL HA H 83 4.379 4.379 4.560 -0.181 18518 11235 1 17 . 1 1 83 83 VAL C C 83 175.810 175.810 176.578 -0.768 18518 11236 1 17 . 1 1 83 83 VAL CA C 83 61.677 61.677 61.602 0.075 18518 11237 1 17 . 1 1 83 83 VAL CB C 83 33.758 33.758 31.930 1.828 18518 11238 1 17 . 1 1 83 83 VAL H H 83 8.721 8.721 8.705 0.016 18518 11239 1 17 . 1 1 84 84 ASN N N 84 126.474 126.474 126.108 0.366 18518 11240 1 17 . 1 1 84 84 ASN HA H 84 4.396 4.396 4.564 -0.168 18518 11241 1 17 . 1 1 84 84 ASN C C 84 175.164 175.164 175.257 -0.093 18518 11242 1 17 . 1 1 84 84 ASN CA C 84 54.738 54.738 55.267 -0.529 18518 11243 1 17 . 1 1 84 84 ASN CB C 84 37.950 37.950 37.968 -0.018 18518 11244 1 17 . 1 1 84 84 ASN H H 84 9.707 9.707 9.452 0.255 18518 11245 1 17 . 1 1 85 85 GLY N N 85 101.296 101.296 104.452 -3.156 18518 11246 1 17 . 1 1 85 85 GLY C C 85 173.680 173.680 173.391 0.289 18518 11247 1 17 . 1 1 85 85 GLY CA C 85 45.603 45.603 44.853 0.750 18518 11248 1 17 . 1 1 85 85 GLY H H 85 8.644 8.644 8.301 0.343 18518 11249 1 17 . 1 1 86 86 HIS N N 86 117.238 117.238 119.192 -1.954 18518 11250 1 17 . 1 1 86 86 HIS HA H 86 5.017 5.017 4.781 0.236 18518 11251 1 17 . 1 1 86 86 HIS C C 86 173.841 173.841 174.067 -0.226 18518 11252 1 17 . 1 1 86 86 HIS CA C 86 53.796 53.796 54.665 -0.869 18518 11253 1 17 . 1 1 86 86 HIS CB C 86 31.280 31.280 31.970 -0.690 18518 11254 1 17 . 1 1 86 86 HIS H H 86 7.918 7.918 8.403 -0.485 18518 11255 1 17 . 1 1 87 87 SER N N 87 118.179 118.179 121.540 -3.361 18518 11256 1 17 . 1 1 87 87 SER HA H 87 4.699 4.699 4.540 0.159 18518 11257 1 17 . 1 1 87 87 SER C C 87 175.904 175.904 174.594 1.310 18518 11258 1 17 . 1 1 87 87 SER CA C 87 58.271 58.271 58.141 0.130 18518 11259 1 17 . 1 1 87 87 SER CB C 87 63.735 63.735 61.708 2.027 18518 11260 1 17 . 1 1 87 87 SER H H 87 8.977 8.977 8.898 0.079 18518 11261 1 17 . 1 1 88 88 MET N N 88 125.472 125.472 123.202 2.270 18518 11262 1 17 . 1 1 88 88 MET HA H 88 4.830 4.830 4.792 0.038 18518 11263 1 17 . 1 1 88 88 MET C C 88 176.419 176.419 174.274 2.145 18518 11264 1 17 . 1 1 88 88 MET CA C 88 54.899 54.899 54.604 0.295 18518 11265 1 17 . 1 1 88 88 MET CB C 88 33.336 33.336 33.367 -0.031 18518 11266 1 17 . 1 1 88 88 MET H H 88 9.184 9.184 7.937 1.247 18518 11267 1 17 . 1 1 89 89 VAL N N 89 120.747 120.747 120.864 -0.117 18518 11268 1 17 . 1 1 89 89 VAL HA H 89 4.232 4.232 4.338 -0.106 18518 11269 1 17 . 1 1 89 89 VAL C C 89 175.958 175.958 175.591 0.367 18518 11270 1 17 . 1 1 89 89 VAL CA C 89 63.154 63.154 61.490 1.663 18518 11271 1 17 . 1 1 89 89 VAL CB C 89 31.878 31.878 33.708 -1.830 18518 11272 1 17 . 1 1 89 89 VAL H H 89 8.233 8.233 7.735 0.498 18518 11273 1 17 . 1 1 90 90 SER N N 90 117.362 117.362 121.474 -4.112 18518 11274 1 17 . 1 1 90 90 SER HA H 90 4.590 4.590 4.571 0.019 18518 11275 1 17 . 1 1 90 90 SER C C 90 175.741 175.741 176.076 -0.335 18518 11276 1 17 . 1 1 90 90 SER CA C 90 57.717 57.717 57.622 0.095 18518 11277 1 17 . 1 1 90 90 SER CB C 90 63.223 63.223 64.237 -1.014 18518 11278 1 17 . 1 1 90 90 SER H H 90 8.482 8.482 8.607 -0.125 18518 11279 1 17 . 1 1 91 91 VAL N N 91 120.466 120.466 123.578 -3.112 18518 11280 1 17 . 1 1 91 91 VAL HA H 91 4.047 4.047 3.871 0.176 18518 11281 1 17 . 1 1 91 91 VAL C C 91 176.329 176.329 176.049 0.280 18518 11282 1 17 . 1 1 91 91 VAL CA C 91 63.492 63.492 64.323 -0.831 18518 11283 1 17 . 1 1 91 91 VAL CB C 91 32.568 32.568 31.530 1.038 18518 11284 1 17 . 1 1 91 91 VAL H H 91 8.188 8.188 8.749 -0.561 18518 11285 1 17 . 1 1 92 92 SER N N 92 116.398 116.398 113.554 2.844 18518 11286 1 17 . 1 1 92 92 SER HA H 92 4.636 4.636 4.637 -0.001 18518 11287 1 17 . 1 1 92 92 SER C C 92 174.159 174.159 174.244 -0.085 18518 11288 1 17 . 1 1 92 92 SER CA C 92 57.805 57.805 57.965 -0.160 18518 11289 1 17 . 1 1 92 92 SER CB C 92 63.046 63.046 63.563 -0.517 18518 11290 1 17 . 1 1 92 92 SER H H 92 8.370 8.370 8.169 0.201 18518 11291 1 17 . 1 1 93 93 THR N N 93 119.211 119.211 120.261 -1.050 18518 11292 1 17 . 1 1 93 93 THR HA H 93 4.484 4.484 4.677 -0.193 18518 11293 1 17 . 1 1 93 93 THR CA C 93 60.884 60.884 61.002 -0.118 18518 11294 1 17 . 1 1 93 93 THR CB C 93 70.609 70.609 69.251 1.358 18518 11295 1 17 . 1 1 93 93 THR H H 93 7.416 7.416 7.620 -0.204 18518 11296 1 17 . 1 1 94 94 PRO HA H 94 4.440 4.440 4.513 -0.073 18518 11297 1 17 . 1 1 94 94 PRO C C 94 178.775 178.775 177.454 1.321 18518 11298 1 17 . 1 1 94 94 PRO CA C 94 62.943 62.943 62.444 0.499 18518 11299 1 17 . 1 1 94 94 PRO CB C 94 32.649 32.649 32.327 0.322 18518 11300 1 17 . 1 1 95 95 ILE N N 95 124.174 124.174 124.631 -0.457 18518 11301 1 17 . 1 1 95 95 ILE HA H 95 3.949 3.949 3.715 0.234 18518 11302 1 17 . 1 1 95 95 ILE C C 95 176.498 176.498 177.065 -0.567 18518 11303 1 17 . 1 1 95 95 ILE CA C 95 63.904 63.904 63.914 -0.010 18518 11304 1 17 . 1 1 95 95 ILE CB C 95 38.182 38.182 38.177 0.005 18518 11305 1 17 . 1 1 95 95 ILE H H 95 9.305 9.305 8.108 1.197 18518 11306 1 17 . 1 1 96 96 SER N N 96 116.920 116.920 115.046 1.874 18518 11307 1 17 . 1 1 96 96 SER HA H 96 4.029 4.029 4.193 -0.164 18518 11308 1 17 . 1 1 96 96 SER C C 96 176.574 176.574 176.300 0.274 18518 11309 1 17 . 1 1 96 96 SER CA C 96 61.356 61.356 62.370 -1.014 18518 11310 1 17 . 1 1 96 96 SER CB C 96 61.723 61.723 63.001 -1.278 18518 11311 1 17 . 1 1 96 96 SER H H 96 8.335 8.335 8.644 -0.309 18518 11312 1 17 . 1 1 97 97 GLU N N 97 123.255 123.255 121.205 2.050 18518 11313 1 17 . 1 1 97 97 GLU HA H 97 4.278 4.278 4.183 0.095 18518 11314 1 17 . 1 1 97 97 GLU C C 97 179.716 179.716 178.860 0.856 18518 11315 1 17 . 1 1 97 97 GLU CA C 97 58.792 58.792 58.997 -0.205 18518 11316 1 17 . 1 1 97 97 GLU CB C 97 29.562 29.562 29.269 0.293 18518 11317 1 17 . 1 1 97 97 GLU H H 97 7.376 7.376 7.741 -0.365 18518 11318 1 17 . 1 1 98 98 VAL N N 98 121.137 121.137 120.555 0.582 18518 11319 1 17 . 1 1 98 98 VAL HA H 98 3.802 3.802 3.745 0.057 18518 11320 1 17 . 1 1 98 98 VAL C C 98 177.637 177.637 178.056 -0.419 18518 11321 1 17 . 1 1 98 98 VAL CA C 98 65.824 65.824 66.555 -0.731 18518 11322 1 17 . 1 1 98 98 VAL CB C 98 32.154 32.154 30.933 1.221 18518 11323 1 17 . 1 1 98 98 VAL H H 98 7.387 7.387 7.898 -0.511 18518 11324 1 17 . 1 1 99 99 TYR N N 99 118.927 118.927 121.787 -2.860 18518 11325 1 17 . 1 1 99 99 TYR HA H 99 3.990 3.990 4.143 -0.153 18518 11326 1 17 . 1 1 99 99 TYR C C 99 176.081 176.081 176.932 -0.851 18518 11327 1 17 . 1 1 99 99 TYR CA C 99 62.223 62.223 60.142 2.080 18518 11328 1 17 . 1 1 99 99 TYR CB C 99 38.982 38.982 38.190 0.792 18518 11329 1 17 . 1 1 99 99 TYR H H 99 9.048 9.048 8.479 0.569 18518 11330 1 17 . 1 1 100 100 GLU N N 100 113.894 113.894 116.804 -2.910 18518 11331 1 17 . 1 1 100 100 GLU HA H 100 3.846 3.846 3.871 -0.025 18518 11332 1 17 . 1 1 100 100 GLU C C 100 177.989 177.989 178.519 -0.530 18518 11333 1 17 . 1 1 100 100 GLU CA C 100 59.087 59.087 58.542 0.545 18518 11334 1 17 . 1 1 100 100 GLU CB C 100 29.382 29.382 28.880 0.502 18518 11335 1 17 . 1 1 100 100 GLU H H 100 7.422 7.422 8.007 -0.585 18518 11336 1 17 . 1 1 101 101 SER N N 101 108.991 108.991 114.979 -5.988 18518 11337 1 17 . 1 1 101 101 SER HA H 101 4.524 4.524 4.421 0.103 18518 11338 1 17 . 1 1 101 101 SER C C 101 176.628 176.628 175.710 0.918 18518 11339 1 17 . 1 1 101 101 SER CA C 101 60.349 60.349 60.777 -0.428 18518 11340 1 17 . 1 1 101 101 SER CB C 101 64.741 64.741 63.955 0.786 18518 11341 1 17 . 1 1 101 101 SER H H 101 7.424 7.424 7.893 -0.469 18518 11342 1 17 . 1 1 102 102 GLU N N 102 116.533 116.533 118.868 -2.335 18518 11343 1 17 . 1 1 102 102 GLU HA H 102 4.744 4.744 4.592 0.152 18518 11344 1 17 . 1 1 102 102 GLU C C 102 176.774 176.774 176.157 0.617 18518 11345 1 17 . 1 1 102 102 GLU CA C 102 55.581 55.581 54.402 1.179 18518 11346 1 17 . 1 1 102 102 GLU CB C 102 30.697 30.697 29.856 0.841 18518 11347 1 17 . 1 1 102 102 GLU H H 102 8.487 8.487 8.204 0.283 18518 11348 1 17 . 1 1 103 103 LYS N N 103 118.370 118.370 119.920 -1.550 18518 11349 1 17 . 1 1 103 103 LYS HA H 103 4.178 4.178 4.154 0.024 18518 11350 1 17 . 1 1 103 103 LYS C C 103 175.018 175.018 176.724 -1.706 18518 11351 1 17 . 1 1 103 103 LYS CA C 103 57.329 57.329 57.102 0.227 18518 11352 1 17 . 1 1 103 103 LYS CB C 103 32.186 32.186 31.578 0.608 18518 11353 1 17 . 1 1 103 103 LYS H H 103 7.831 7.831 7.724 0.107 18518 11354 1 17 . 1 1 104 104 ASP N N 104 123.500 123.500 124.946 -1.446 18518 11355 1 17 . 1 1 104 104 ASP HA H 104 4.755 4.755 4.544 0.211 18518 11356 1 17 . 1 1 104 104 ASP C C 104 177.383 177.383 178.027 -0.644 18518 11357 1 17 . 1 1 104 104 ASP CA C 104 53.846 53.846 53.899 -0.053 18518 11358 1 17 . 1 1 104 104 ASP CB C 104 43.411 43.411 42.795 0.616 18518 11359 1 17 . 1 1 104 104 ASP H H 104 9.041 9.041 8.243 0.798 18518 11360 1 17 . 1 1 105 105 GLU N N 105 125.448 125.448 121.451 3.997 18518 11361 1 17 . 1 1 105 105 GLU HA H 105 4.180 4.180 4.137 0.043 18518 11362 1 17 . 1 1 105 105 GLU C C 105 177.519 177.519 176.660 0.859 18518 11363 1 17 . 1 1 105 105 GLU CA C 105 59.529 59.529 58.965 0.564 18518 11364 1 17 . 1 1 105 105 GLU CB C 105 30.044 30.044 29.538 0.506 18518 11365 1 17 . 1 1 105 105 GLU H H 105 8.906 8.906 8.859 0.047 18518 11366 1 17 . 1 1 106 106 ASP N N 106 118.824 118.824 118.768 0.056 18518 11367 1 17 . 1 1 106 106 ASP HA H 106 4.179 4.179 4.494 -0.315 18518 11368 1 17 . 1 1 106 106 ASP C C 106 176.223 176.223 176.631 -0.408 18518 11369 1 17 . 1 1 106 106 ASP CA C 106 54.756 54.756 55.797 -1.040 18518 11370 1 17 . 1 1 106 106 ASP CB C 106 39.999 39.999 41.285 -1.286 18518 11371 1 17 . 1 1 106 106 ASP H H 106 10.036 10.036 8.287 1.749 18518 11372 1 17 . 1 1 107 107 GLY N N 107 105.866 105.866 104.761 1.105 18518 11373 1 17 . 1 1 107 107 GLY C C 107 175.136 175.136 173.506 1.630 18518 11374 1 17 . 1 1 107 107 GLY CA C 107 45.222 45.222 45.055 0.167 18518 11375 1 17 . 1 1 107 107 GLY H H 107 8.001 8.001 8.034 -0.033 18518 11376 1 17 . 1 1 108 108 PHE N N 108 123.820 123.820 119.477 4.343 18518 11377 1 17 . 1 1 108 108 PHE HA H 108 4.662 4.662 5.232 -0.570 18518 11378 1 17 . 1 1 108 108 PHE C C 108 174.899 174.899 174.658 0.241 18518 11379 1 17 . 1 1 108 108 PHE CA C 108 60.238 60.238 57.790 2.448 18518 11380 1 17 . 1 1 108 108 PHE CB C 108 40.365 40.365 41.438 -1.073 18518 11381 1 17 . 1 1 108 108 PHE H H 108 9.912 9.912 7.613 2.299 18518 11382 1 17 . 1 1 109 109 LEU N N 109 120.130 120.130 120.279 -0.149 18518 11383 1 17 . 1 1 109 109 LEU HA H 109 5.030 5.030 4.886 0.144 18518 11384 1 17 . 1 1 109 109 LEU C C 109 173.916 173.916 174.765 -0.849 18518 11385 1 17 . 1 1 109 109 LEU CA C 109 53.424 53.424 53.958 -0.534 18518 11386 1 17 . 1 1 109 109 LEU CB C 109 45.203 45.203 44.860 0.343 18518 11387 1 17 . 1 1 109 109 LEU H H 109 7.997 7.997 8.589 -0.592 18518 11388 1 17 . 1 1 110 110 TYR N N 110 126.579 126.579 125.606 0.973 18518 11389 1 17 . 1 1 110 110 TYR HA H 110 5.003 5.003 5.521 -0.518 18518 11390 1 17 . 1 1 110 110 TYR C C 110 176.671 176.671 176.036 0.635 18518 11391 1 17 . 1 1 110 110 TYR CA C 110 59.058 59.058 55.594 3.464 18518 11392 1 17 . 1 1 110 110 TYR CB C 110 39.556 39.556 40.753 -1.197 18518 11393 1 17 . 1 1 110 110 TYR H H 110 9.377 9.377 8.225 1.152 18518 11394 1 17 . 1 1 111 111 MET N N 111 119.240 119.240 119.112 0.128 18518 11395 1 17 . 1 1 111 111 MET HA H 111 5.486 5.486 5.209 0.277 18518 11396 1 17 . 1 1 111 111 MET C C 111 175.695 175.695 174.447 1.248 18518 11397 1 17 . 1 1 111 111 MET CA C 111 54.124 54.124 54.893 -0.769 18518 11398 1 17 . 1 1 111 111 MET CB C 111 36.960 36.960 37.763 -0.803 18518 11399 1 17 . 1 1 111 111 MET H H 111 9.658 9.658 9.200 0.458 18518 11400 1 17 . 1 1 112 112 VAL N N 112 119.865 119.865 116.289 3.576 18518 11401 1 17 . 1 1 112 112 VAL HA H 112 5.963 5.963 5.455 0.508 18518 11402 1 17 . 1 1 112 112 VAL C C 112 175.058 175.058 174.237 0.821 18518 11403 1 17 . 1 1 112 112 VAL CA C 112 58.911 58.911 59.505 -0.594 18518 11404 1 17 . 1 1 112 112 VAL CB C 112 36.051 36.051 35.248 0.803 18518 11405 1 17 . 1 1 112 112 VAL H H 112 8.794 8.794 8.738 0.056 18518 11406 1 17 . 1 1 113 113 TYR N N 113 119.664 119.664 118.821 0.843 18518 11407 1 17 . 1 1 113 113 TYR HA H 113 6.118 6.118 5.395 0.723 18518 11408 1 17 . 1 1 113 113 TYR C C 113 173.375 173.375 173.287 0.088 18518 11409 1 17 . 1 1 113 113 TYR CA C 113 54.153 54.153 55.216 -1.063 18518 11410 1 17 . 1 1 113 113 TYR CB C 113 43.312 43.312 41.630 1.682 18518 11411 1 17 . 1 1 113 113 TYR H H 113 8.315 8.315 8.323 -0.008 18518 11412 1 17 . 1 1 114 114 ALA N N 114 119.763 119.763 122.585 -2.822 18518 11413 1 17 . 1 1 114 114 ALA HA H 114 4.800 4.800 5.042 -0.242 18518 11414 1 17 . 1 1 114 114 ALA C C 114 176.216 176.216 175.209 1.007 18518 11415 1 17 . 1 1 114 114 ALA CA C 114 51.132 51.132 51.888 -0.756 18518 11416 1 17 . 1 1 114 114 ALA CB C 114 24.596 24.596 22.288 2.308 18518 11417 1 17 . 1 1 114 114 ALA H H 114 8.465 8.465 8.735 -0.270 18518 11418 1 17 . 1 1 115 115 SER N N 115 114.763 114.763 116.116 -1.353 18518 11419 1 17 . 1 1 115 115 SER HA H 115 4.496 4.496 4.778 -0.282 18518 11420 1 17 . 1 1 115 115 SER C C 115 172.671 172.671 173.850 -1.179 18518 11421 1 17 . 1 1 115 115 SER CA C 115 58.651 58.651 57.961 0.690 18518 11422 1 17 . 1 1 115 115 SER CB C 115 63.526 63.526 62.126 1.400 18518 11423 1 17 . 1 1 115 115 SER H H 115 9.915 9.915 9.356 0.559 18518 11424 1 17 . 1 1 116 116 GLN N N 116 116.611 116.611 124.093 -7.482 18518 11425 1 17 . 1 1 116 116 GLN HA H 116 4.484 4.484 4.430 0.054 18518 11426 1 17 . 1 1 116 116 GLN C C 116 172.733 172.733 173.605 -0.872 18518 11427 1 17 . 1 1 116 116 GLN CA C 116 53.926 53.926 55.943 -2.017 18518 11428 1 17 . 1 1 116 116 GLN CB C 116 32.358 32.358 31.175 1.183 18518 11429 1 17 . 1 1 116 116 GLN H H 116 7.219 7.219 7.834 -0.615 18518 11430 1 17 . 1 1 117 117 GLU N N 117 117.623 117.623 120.220 -2.597 18518 11431 1 17 . 1 1 117 117 GLU HA H 117 3.287 3.287 3.084 0.203 18518 11432 1 17 . 1 1 117 117 GLU C C 117 175.168 175.168 175.543 -0.375 18518 11433 1 17 . 1 1 117 117 GLU CA C 117 56.882 56.882 56.964 -0.082 18518 11434 1 17 . 1 1 117 117 GLU CB C 117 30.522 30.522 30.066 0.456 18518 11435 1 17 . 1 1 117 117 GLU H H 117 7.882 7.882 8.510 -0.628 18518 11436 1 17 . 1 1 118 118 THR N N 118 109.820 109.820 111.801 -1.981 18518 11437 1 17 . 1 1 118 118 THR HA H 118 4.066 4.066 4.232 -0.166 18518 11438 1 17 . 1 1 118 118 THR C C 118 172.355 172.355 173.384 -1.029 18518 11439 1 17 . 1 1 118 118 THR CA C 118 60.029 60.029 61.192 -1.163 18518 11440 1 17 . 1 1 118 118 THR CB C 118 70.480 70.480 69.318 1.162 18518 11441 1 17 . 1 1 118 118 THR H H 118 6.992 6.992 7.272 -0.280 18518 11442 1 18 . 1 1 2 2 ALA HA H 2 4.336 4.336 5.380 -1.044 18518 11443 1 18 . 1 1 2 2 ALA C C 2 177.974 177.974 177.390 0.584 18518 11444 1 18 . 1 1 2 2 ALA CA C 2 52.785 52.785 51.680 1.105 18518 11445 1 18 . 1 1 2 2 ALA CB C 2 19.444 19.444 20.845 -1.401 18518 11446 1 18 . 1 1 3 3 MET N N 3 119.311 119.311 118.262 1.049 18518 11447 1 18 . 1 1 3 3 MET HA H 3 4.451 4.451 5.177 -0.726 18518 11448 1 18 . 1 1 3 3 MET C C 3 176.913 176.913 175.911 1.002 18518 11449 1 18 . 1 1 3 3 MET CA C 3 55.679 55.679 54.861 0.819 18518 11450 1 18 . 1 1 3 3 MET CB C 3 32.590 32.590 34.540 -1.950 18518 11451 1 18 . 1 1 3 3 MET H H 3 8.638 8.638 9.043 -0.405 18518 11452 1 18 . 1 1 4 4 GLY N N 4 110.281 110.281 108.844 1.437 18518 11453 1 18 . 1 1 4 4 GLY C C 4 174.180 174.180 172.771 1.409 18518 11454 1 18 . 1 1 4 4 GLY CA C 4 45.495 45.495 44.847 0.648 18518 11455 1 18 . 1 1 4 4 GLY H H 4 8.552 8.552 8.305 0.247 18518 11456 1 18 . 1 1 5 5 LYS N N 5 120.818 120.818 122.277 -1.459 18518 11457 1 18 . 1 1 5 5 LYS HA H 5 4.509 4.509 4.508 0.001 18518 11458 1 18 . 1 1 5 5 LYS C C 5 177.605 177.605 176.619 0.986 18518 11459 1 18 . 1 1 5 5 LYS CA C 5 56.134 56.134 55.727 0.407 18518 11460 1 18 . 1 1 5 5 LYS CB C 5 34.813 34.813 33.661 1.152 18518 11461 1 18 . 1 1 5 5 LYS H H 5 8.133 8.133 8.393 -0.260 18518 11462 1 18 . 1 1 6 6 THR N N 6 114.781 114.781 121.598 -6.817 18518 11463 1 18 . 1 1 6 6 THR HA H 6 4.421 4.421 4.306 0.115 18518 11464 1 18 . 1 1 6 6 THR C C 6 175.524 175.524 175.821 -0.297 18518 11465 1 18 . 1 1 6 6 THR CA C 6 61.127 61.127 62.791 -1.664 18518 11466 1 18 . 1 1 6 6 THR CB C 6 69.926 69.926 69.174 0.752 18518 11467 1 18 . 1 1 6 6 THR H H 6 8.483 8.483 8.695 -0.212 18518 11468 1 18 . 1 1 7 7 PHE N N 7 125.552 125.552 122.927 2.625 18518 11469 1 18 . 1 1 7 7 PHE HA H 7 4.005 4.005 4.085 -0.080 18518 11470 1 18 . 1 1 7 7 PHE C C 7 177.397 177.397 177.034 0.363 18518 11471 1 18 . 1 1 7 7 PHE CA C 7 63.393 63.393 61.663 1.730 18518 11472 1 18 . 1 1 7 7 PHE CB C 7 39.567 39.567 37.790 1.777 18518 11473 1 18 . 1 1 7 7 PHE H H 7 10.245 10.245 9.039 1.206 18518 11474 1 18 . 1 1 8 8 LYS N N 8 114.053 114.053 117.165 -3.112 18518 11475 1 18 . 1 1 8 8 LYS HA H 8 3.835 3.835 4.062 -0.227 18518 11476 1 18 . 1 1 8 8 LYS C C 8 175.520 175.520 178.241 -2.721 18518 11477 1 18 . 1 1 8 8 LYS CA C 8 59.993 59.993 58.348 1.645 18518 11478 1 18 . 1 1 8 8 LYS CB C 8 33.689 33.689 31.181 2.508 18518 11479 1 18 . 1 1 8 8 LYS H H 8 8.775 8.775 6.895 1.880 18518 11480 1 18 . 1 1 9 9 GLN N N 9 113.516 113.516 118.542 -5.026 18518 11481 1 18 . 1 1 9 9 GLN HA H 9 4.149 4.149 4.137 0.012 18518 11482 1 18 . 1 1 9 9 GLN C C 9 177.615 177.615 177.899 -0.284 18518 11483 1 18 . 1 1 9 9 GLN CA C 9 56.819 56.819 57.951 -1.132 18518 11484 1 18 . 1 1 9 9 GLN CB C 9 30.019 30.019 28.979 1.040 18518 11485 1 18 . 1 1 9 9 GLN H H 9 7.355 7.355 7.608 -0.253 18518 11486 1 18 . 1 1 10 10 ARG N N 10 118.294 118.294 116.922 1.372 18518 11487 1 18 . 1 1 10 10 ARG HA H 10 4.302 4.302 4.215 0.087 18518 11488 1 18 . 1 1 10 10 ARG C C 10 179.380 179.380 177.492 1.888 18518 11489 1 18 . 1 1 10 10 ARG CA C 10 57.268 57.268 57.427 -0.159 18518 11490 1 18 . 1 1 10 10 ARG CB C 10 31.642 31.642 31.088 0.554 18518 11491 1 18 . 1 1 10 10 ARG H H 10 7.936 7.936 7.958 -0.022 18518 11492 1 18 . 1 1 11 11 ARG N N 11 121.137 121.137 120.211 0.926 18518 11493 1 18 . 1 1 11 11 ARG HA H 11 4.680 4.680 4.656 0.024 18518 11494 1 18 . 1 1 11 11 ARG CA C 11 53.453 53.453 54.367 -0.914 18518 11495 1 18 . 1 1 11 11 ARG CB C 11 32.938 32.938 31.547 1.391 18518 11496 1 18 . 1 1 11 11 ARG H H 11 7.390 7.390 8.197 -0.807 18518 11497 1 18 . 1 1 12 12 THR N N 12 116.819 116.819 119.209 -2.390 18518 11498 1 18 . 1 1 12 12 THR HA H 12 4.359 4.359 4.512 -0.153 18518 11499 1 18 . 1 1 12 12 THR C C 12 174.989 174.989 176.000 -1.011 18518 11500 1 18 . 1 1 12 12 THR CA C 12 61.748 61.748 61.462 0.287 18518 11501 1 18 . 1 1 12 12 THR CB C 12 71.068 71.068 70.185 0.883 18518 11502 1 18 . 1 1 12 12 THR H H 12 8.953 8.953 8.432 0.521 18518 11503 1 18 . 1 1 13 13 PHE N N 13 123.200 123.200 122.615 0.585 18518 11504 1 18 . 1 1 13 13 PHE HA H 13 4.028 4.028 4.114 -0.086 18518 11505 1 18 . 1 1 13 13 PHE C C 13 176.029 176.029 177.192 -1.163 18518 11506 1 18 . 1 1 13 13 PHE CA C 13 62.864 62.864 62.880 -0.016 18518 11507 1 18 . 1 1 13 13 PHE CB C 13 39.560 39.560 39.271 0.289 18518 11508 1 18 . 1 1 13 13 PHE H H 13 9.284 9.284 9.160 0.124 18518 11509 1 18 . 1 1 14 14 GLU N N 14 115.414 115.414 117.862 -2.448 18518 11510 1 18 . 1 1 14 14 GLU HA H 14 3.794 3.794 4.028 -0.234 18518 11511 1 18 . 1 1 14 14 GLU C C 14 180.081 180.081 178.819 1.262 18518 11512 1 18 . 1 1 14 14 GLU CA C 14 60.619 60.619 60.292 0.327 18518 11513 1 18 . 1 1 14 14 GLU CB C 14 28.852 28.852 28.750 0.102 18518 11514 1 18 . 1 1 14 14 GLU H H 14 8.973 8.973 8.923 0.050 18518 11515 1 18 . 1 1 15 15 GLN N N 15 119.276 119.276 117.703 1.573 18518 11516 1 18 . 1 1 15 15 GLN HA H 15 4.000 4.000 4.127 -0.127 18518 11517 1 18 . 1 1 15 15 GLN C C 15 177.978 177.978 178.875 -0.897 18518 11518 1 18 . 1 1 15 15 GLN CA C 15 58.835 58.835 58.906 -0.071 18518 11519 1 18 . 1 1 15 15 GLN CB C 15 29.370 29.370 28.148 1.222 18518 11520 1 18 . 1 1 15 15 GLN H H 15 7.756 7.756 8.520 -0.764 18518 11521 1 18 . 1 1 16 16 ARG N N 16 121.336 121.336 120.383 0.953 18518 11522 1 18 . 1 1 16 16 ARG HA H 16 4.270 4.270 4.334 -0.064 18518 11523 1 18 . 1 1 16 16 ARG C C 16 177.416 177.416 178.819 -1.403 18518 11524 1 18 . 1 1 16 16 ARG CA C 16 61.375 61.375 59.454 1.921 18518 11525 1 18 . 1 1 16 16 ARG CB C 16 30.605 30.605 30.442 0.163 18518 11526 1 18 . 1 1 16 16 ARG H H 16 8.645 8.645 8.223 0.422 18518 11527 1 18 . 1 1 17 17 VAL N N 17 117.630 117.630 121.181 -3.551 18518 11528 1 18 . 1 1 17 17 VAL HA H 17 3.857 3.857 3.686 0.171 18518 11529 1 18 . 1 1 17 17 VAL C C 17 179.748 179.748 177.439 2.309 18518 11530 1 18 . 1 1 17 17 VAL CA C 17 65.726 65.726 65.900 -0.174 18518 11531 1 18 . 1 1 17 17 VAL CB C 17 32.194 32.194 31.463 0.731 18518 11532 1 18 . 1 1 17 17 VAL H H 17 8.373 8.373 8.404 -0.031 18518 11533 1 18 . 1 1 18 18 GLU N N 18 120.864 120.864 119.636 1.228 18518 11534 1 18 . 1 1 18 18 GLU HA H 18 4.302 4.302 3.984 0.318 18518 11535 1 18 . 1 1 18 18 GLU C C 18 177.728 177.728 178.572 -0.844 18518 11536 1 18 . 1 1 18 18 GLU CA C 18 58.486 58.486 60.023 -1.537 18518 11537 1 18 . 1 1 18 18 GLU CB C 18 29.382 29.382 29.442 -0.060 18518 11538 1 18 . 1 1 18 18 GLU H H 18 7.368 7.368 8.211 -0.843 18518 11539 1 18 . 1 1 19 19 ASP N N 19 121.425 121.425 120.169 1.256 18518 11540 1 18 . 1 1 19 19 ASP HA H 19 4.434 4.434 4.435 -0.001 18518 11541 1 18 . 1 1 19 19 ASP C C 19 179.978 179.978 178.817 1.161 18518 11542 1 18 . 1 1 19 19 ASP CA C 19 57.422 57.422 57.585 -0.163 18518 11543 1 18 . 1 1 19 19 ASP CB C 19 41.287 41.287 40.766 0.521 18518 11544 1 18 . 1 1 19 19 ASP H H 19 8.671 8.671 7.982 0.689 18518 11545 1 18 . 1 1 20 20 VAL N N 20 119.730 119.730 120.402 -0.672 18518 11546 1 18 . 1 1 20 20 VAL HA H 20 3.205 3.205 3.409 -0.204 18518 11547 1 18 . 1 1 20 20 VAL C C 20 176.284 176.284 177.546 -1.262 18518 11548 1 18 . 1 1 20 20 VAL CA C 20 66.315 66.315 67.287 -0.972 18518 11549 1 18 . 1 1 20 20 VAL CB C 20 31.107 31.107 31.735 -0.628 18518 11550 1 18 . 1 1 20 20 VAL H H 20 7.999 7.999 8.238 -0.239 18518 11551 1 18 . 1 1 21 21 ARG N N 21 121.455 121.455 119.442 2.013 18518 11552 1 18 . 1 1 21 21 ARG HA H 21 3.814 3.814 3.953 -0.139 18518 11553 1 18 . 1 1 21 21 ARG C C 21 180.120 180.120 178.680 1.440 18518 11554 1 18 . 1 1 21 21 ARG CA C 21 59.830 59.830 58.913 0.918 18518 11555 1 18 . 1 1 21 21 ARG CB C 21 29.946 29.946 29.307 0.639 18518 11556 1 18 . 1 1 21 21 ARG H H 21 8.098 8.098 7.959 0.139 18518 11557 1 18 . 1 1 22 22 LEU N N 22 117.826 117.826 121.002 -3.176 18518 11558 1 18 . 1 1 22 22 LEU HA H 22 4.049 4.049 4.068 -0.019 18518 11559 1 18 . 1 1 22 22 LEU C C 22 180.115 180.115 178.481 1.634 18518 11560 1 18 . 1 1 22 22 LEU CA C 22 57.790 57.790 58.007 -0.217 18518 11561 1 18 . 1 1 22 22 LEU CB C 22 42.142 42.142 41.912 0.230 18518 11562 1 18 . 1 1 22 22 LEU H H 22 8.207 8.207 8.291 -0.084 18518 11563 1 18 . 1 1 23 23 ILE N N 23 121.450 121.450 119.380 2.070 18518 11564 1 18 . 1 1 23 23 ILE HA H 23 4.013 4.013 3.924 0.089 18518 11565 1 18 . 1 1 23 23 ILE C C 23 178.149 178.149 178.692 -0.543 18518 11566 1 18 . 1 1 23 23 ILE CA C 23 62.171 62.171 64.278 -2.106 18518 11567 1 18 . 1 1 23 23 ILE CB C 23 38.106 38.106 36.801 1.305 18518 11568 1 18 . 1 1 23 23 ILE H H 23 8.105 8.105 8.026 0.079 18518 11569 1 18 . 1 1 24 24 ARG N N 24 121.139 121.139 118.668 2.471 18518 11570 1 18 . 1 1 24 24 ARG HA H 24 3.987 3.987 4.028 -0.041 18518 11571 1 18 . 1 1 24 24 ARG C C 24 178.702 178.702 178.931 -0.229 18518 11572 1 18 . 1 1 24 24 ARG CA C 24 57.718 57.718 58.747 -1.029 18518 11573 1 18 . 1 1 24 24 ARG CB C 24 28.769 28.769 29.608 -0.840 18518 11574 1 18 . 1 1 24 24 ARG H H 24 8.601 8.601 8.482 0.119 18518 11575 1 18 . 1 1 25 25 GLU N N 25 118.054 118.054 119.088 -1.034 18518 11576 1 18 . 1 1 25 25 GLU HA H 25 4.026 4.026 4.104 -0.078 18518 11577 1 18 . 1 1 25 25 GLU C C 25 178.492 178.492 178.071 0.421 18518 11578 1 18 . 1 1 25 25 GLU CA C 25 58.780 58.780 58.373 0.407 18518 11579 1 18 . 1 1 25 25 GLU CB C 25 30.001 30.001 29.708 0.293 18518 11580 1 18 . 1 1 25 25 GLU H H 25 7.423 7.423 7.791 -0.368 18518 11581 1 18 . 1 1 26 26 GLN N N 26 116.350 116.350 117.302 -0.952 18518 11582 1 18 . 1 1 26 26 GLN HA H 26 3.936 3.936 4.027 -0.091 18518 11583 1 18 . 1 1 26 26 GLN C C 26 176.305 176.305 176.788 -0.483 18518 11584 1 18 . 1 1 26 26 GLN CA C 26 57.503 57.503 57.400 0.103 18518 11585 1 18 . 1 1 26 26 GLN CB C 26 30.207 30.207 29.433 0.774 18518 11586 1 18 . 1 1 26 26 GLN H H 26 7.524 7.524 8.044 -0.520 18518 11587 1 18 . 1 1 27 27 HIS N N 27 116.017 116.017 117.840 -1.823 18518 11588 1 18 . 1 1 27 27 HIS HA H 27 4.930 4.930 5.141 -0.211 18518 11589 1 18 . 1 1 27 27 HIS CA C 27 53.054 53.054 52.687 0.367 18518 11590 1 18 . 1 1 27 27 HIS CB C 27 30.747 30.747 30.419 0.328 18518 11591 1 18 . 1 1 27 27 HIS H H 27 8.284 8.284 8.247 0.037 18518 11592 1 18 . 1 1 28 28 PRO HA H 28 4.581 4.581 4.470 0.111 18518 11593 1 18 . 1 1 28 28 PRO CA C 28 64.919 64.919 64.587 0.332 18518 11594 1 18 . 1 1 28 28 PRO CB C 28 32.455 32.455 32.046 0.409 18518 11595 1 18 . 1 1 29 29 THR N N 29 107.011 107.011 106.740 0.271 18518 11596 1 18 . 1 1 29 29 THR HA H 29 4.599 4.599 4.272 0.327 18518 11597 1 18 . 1 1 29 29 THR C C 29 172.884 172.884 173.669 -0.785 18518 11598 1 18 . 1 1 29 29 THR CA C 29 60.810 60.810 61.968 -1.158 18518 11599 1 18 . 1 1 29 29 THR CB C 29 68.531 68.531 68.386 0.145 18518 11600 1 18 . 1 1 29 29 THR H H 29 7.890 7.890 8.364 -0.474 18518 11601 1 18 . 1 1 30 30 LYS N N 30 117.679 117.679 120.889 -3.210 18518 11602 1 18 . 1 1 30 30 LYS HA H 30 4.858 4.858 4.998 -0.140 18518 11603 1 18 . 1 1 30 30 LYS C C 30 174.310 174.310 174.622 -0.312 18518 11604 1 18 . 1 1 30 30 LYS CA C 30 53.751 53.751 53.895 -0.144 18518 11605 1 18 . 1 1 30 30 LYS CB C 30 35.804 35.804 36.230 -0.426 18518 11606 1 18 . 1 1 30 30 LYS H H 30 7.441 7.441 7.652 -0.211 18518 11607 1 18 . 1 1 31 31 ILE N N 31 122.849 122.849 122.088 0.761 18518 11608 1 18 . 1 1 31 31 ILE HA H 31 4.105 4.105 4.286 -0.181 18518 11609 1 18 . 1 1 31 31 ILE CA C 31 54.801 54.801 57.894 -3.092 18518 11610 1 18 . 1 1 31 31 ILE CB C 31 38.265 38.265 39.585 -1.320 18518 11611 1 18 . 1 1 31 31 ILE H H 31 9.304 9.304 8.789 0.515 18518 11612 1 18 . 1 1 32 32 PRO HA H 32 5.159 5.159 4.861 0.298 18518 11613 1 18 . 1 1 32 32 PRO C C 32 174.164 174.164 175.689 -1.525 18518 11614 1 18 . 1 1 32 32 PRO CA C 32 61.503 61.503 61.959 -0.457 18518 11615 1 18 . 1 1 32 32 PRO CB C 32 31.145 31.145 30.708 0.437 18518 11616 1 18 . 1 1 33 33 VAL N N 33 125.606 125.606 125.138 0.468 18518 11617 1 18 . 1 1 33 33 VAL HA H 33 5.213 5.213 5.212 0.001 18518 11618 1 18 . 1 1 33 33 VAL C C 33 173.654 173.654 173.849 -0.195 18518 11619 1 18 . 1 1 33 33 VAL CA C 33 60.044 60.044 59.139 0.905 18518 11620 1 18 . 1 1 33 33 VAL CB C 33 35.604 35.604 35.854 -0.250 18518 11621 1 18 . 1 1 33 33 VAL H H 33 9.424 9.424 8.595 0.829 18518 11622 1 18 . 1 1 34 34 ILE N N 34 128.241 128.241 128.023 0.218 18518 11623 1 18 . 1 1 34 34 ILE HA H 34 4.833 4.833 4.631 0.202 18518 11624 1 18 . 1 1 34 34 ILE C C 34 175.605 175.605 174.792 0.813 18518 11625 1 18 . 1 1 34 34 ILE CA C 34 56.765 56.765 58.343 -1.577 18518 11626 1 18 . 1 1 34 34 ILE CB C 34 36.799 36.799 37.025 -0.226 18518 11627 1 18 . 1 1 34 34 ILE H H 34 8.721 8.721 9.036 -0.315 18518 11628 1 18 . 1 1 35 35 ILE N N 35 125.650 125.650 128.975 -3.325 18518 11629 1 18 . 1 1 35 35 ILE HA H 35 4.836 4.836 4.656 0.180 18518 11630 1 18 . 1 1 35 35 ILE C C 35 174.887 174.887 174.648 0.239 18518 11631 1 18 . 1 1 35 35 ILE CA C 35 60.945 60.945 58.834 2.111 18518 11632 1 18 . 1 1 35 35 ILE CB C 35 39.210 39.210 37.276 1.934 18518 11633 1 18 . 1 1 35 35 ILE H H 35 9.034 9.034 9.021 0.013 18518 11634 1 18 . 1 1 36 36 GLU N N 36 122.657 122.657 127.041 -4.384 18518 11635 1 18 . 1 1 36 36 GLU HA H 36 4.861 4.861 4.781 0.080 18518 11636 1 18 . 1 1 36 36 GLU C C 36 173.848 173.848 174.592 -0.744 18518 11637 1 18 . 1 1 36 36 GLU CA C 36 53.932 53.932 54.602 -0.670 18518 11638 1 18 . 1 1 36 36 GLU CB C 36 35.282 35.282 34.062 1.220 18518 11639 1 18 . 1 1 36 36 GLU H H 36 8.303 8.303 8.340 -0.037 18518 11640 1 18 . 1 1 37 37 ARG N N 37 123.228 123.228 125.532 -2.304 18518 11641 1 18 . 1 1 37 37 ARG HA H 37 2.726 2.726 3.576 -0.850 18518 11642 1 18 . 1 1 37 37 ARG C C 37 176.359 176.359 175.801 0.558 18518 11643 1 18 . 1 1 37 37 ARG CA C 37 56.359 56.359 55.950 0.409 18518 11644 1 18 . 1 1 37 37 ARG CB C 37 31.341 31.341 30.990 0.351 18518 11645 1 18 . 1 1 37 37 ARG H H 37 8.856 8.856 8.562 0.294 18518 11646 1 18 . 1 1 38 38 TYR N N 38 128.981 128.981 127.009 1.972 18518 11647 1 18 . 1 1 38 38 TYR HA H 38 4.352 4.352 4.261 0.091 18518 11648 1 18 . 1 1 38 38 TYR C C 38 177.316 177.316 176.504 0.812 18518 11649 1 18 . 1 1 38 38 TYR CA C 38 57.712 57.712 58.478 -0.766 18518 11650 1 18 . 1 1 38 38 TYR CB C 38 39.472 39.472 40.096 -0.624 18518 11651 1 18 . 1 1 38 38 TYR H H 38 8.628 8.628 8.281 0.346 18518 11652 1 18 . 1 1 39 39 LYS N N 39 130.635 130.635 125.015 5.620 18518 11653 1 18 . 1 1 39 39 LYS HA H 39 3.822 3.822 3.864 -0.042 18518 11654 1 18 . 1 1 39 39 LYS CA C 39 58.887 58.887 57.974 0.913 18518 11655 1 18 . 1 1 39 39 LYS CB C 39 31.771 31.771 32.089 -0.318 18518 11656 1 18 . 1 1 39 39 LYS H H 39 8.594 8.594 7.911 0.683 18518 11657 1 18 . 1 1 40 40 GLY C C 40 173.447 173.447 173.992 -0.545 18518 11658 1 18 . 1 1 40 40 GLY CA C 40 44.663 44.663 44.088 0.575 18518 11659 1 18 . 1 1 40 40 GLY H H 40 5.188 5.188 6.714 -1.526 18518 11660 1 18 . 1 1 41 41 GLU N N 41 122.836 122.836 120.612 2.224 18518 11661 1 18 . 1 1 41 41 GLU HA H 41 4.257 4.257 4.352 -0.095 18518 11662 1 18 . 1 1 41 41 GLU C C 41 176.524 176.524 175.924 0.600 18518 11663 1 18 . 1 1 41 41 GLU CA C 41 56.525 56.525 56.040 0.485 18518 11664 1 18 . 1 1 41 41 GLU CB C 41 30.985 30.985 30.001 0.984 18518 11665 1 18 . 1 1 41 41 GLU H H 41 7.380 7.380 7.443 -0.063 18518 11666 1 18 . 1 1 42 42 LYS N N 42 124.040 124.040 123.679 0.361 18518 11667 1 18 . 1 1 42 42 LYS HA H 42 4.675 4.675 4.527 0.147 18518 11668 1 18 . 1 1 42 42 LYS C C 42 177.538 177.538 177.262 0.276 18518 11669 1 18 . 1 1 42 42 LYS CA C 42 55.840 55.840 56.598 -0.758 18518 11670 1 18 . 1 1 42 42 LYS CB C 42 34.979 34.979 33.698 1.281 18518 11671 1 18 . 1 1 42 42 LYS H H 42 9.034 9.034 8.521 0.513 18518 11672 1 18 . 1 1 43 43 GLN N N 43 119.259 119.259 118.440 0.819 18518 11673 1 18 . 1 1 43 43 GLN HA H 43 4.542 4.542 4.384 0.158 18518 11674 1 18 . 1 1 43 43 GLN C C 43 177.336 177.336 176.739 0.597 18518 11675 1 18 . 1 1 43 43 GLN CA C 43 57.673 57.673 56.947 0.726 18518 11676 1 18 . 1 1 43 43 GLN CB C 43 30.782 30.782 30.230 0.552 18518 11677 1 18 . 1 1 43 43 GLN H H 43 8.435 8.435 8.711 -0.276 18518 11678 1 18 . 1 1 44 44 LEU N N 44 120.760 120.760 122.959 -2.199 18518 11679 1 18 . 1 1 44 44 LEU HA H 44 4.695 4.695 4.580 0.115 18518 11680 1 18 . 1 1 44 44 LEU CA C 44 53.245 53.245 53.167 0.078 18518 11681 1 18 . 1 1 44 44 LEU CB C 44 43.596 43.596 41.850 1.746 18518 11682 1 18 . 1 1 44 44 LEU H H 44 9.126 9.126 8.449 0.677 18518 11683 1 18 . 1 1 45 45 PRO HA H 45 4.717 4.717 4.548 0.169 18518 11684 1 18 . 1 1 45 45 PRO C C 45 175.797 175.797 176.230 -0.433 18518 11685 1 18 . 1 1 45 45 PRO CA C 45 62.111 62.111 62.207 -0.096 18518 11686 1 18 . 1 1 45 45 PRO CB C 45 32.592 32.592 32.371 0.221 18518 11687 1 18 . 1 1 46 46 VAL N N 46 119.052 119.052 121.538 -2.486 18518 11688 1 18 . 1 1 46 46 VAL HA H 46 3.867 3.867 4.204 -0.337 18518 11689 1 18 . 1 1 46 46 VAL C C 46 175.640 175.640 176.634 -0.994 18518 11690 1 18 . 1 1 46 46 VAL CA C 46 62.944 62.944 62.565 0.379 18518 11691 1 18 . 1 1 46 46 VAL CB C 46 32.799 32.799 32.284 0.515 18518 11692 1 18 . 1 1 46 46 VAL H H 46 8.543 8.543 8.379 0.164 18518 11693 1 18 . 1 1 47 47 LEU N N 47 130.203 130.203 128.021 2.182 18518 11694 1 18 . 1 1 47 47 LEU HA H 47 4.309 4.309 4.351 -0.042 18518 11695 1 18 . 1 1 47 47 LEU C C 47 176.198 176.198 177.878 -1.680 18518 11696 1 18 . 1 1 47 47 LEU CA C 47 55.006 55.006 54.975 0.031 18518 11697 1 18 . 1 1 47 47 LEU CB C 47 43.832 43.832 42.778 1.054 18518 11698 1 18 . 1 1 47 47 LEU H H 47 7.799 7.799 8.273 -0.474 18518 11699 1 18 . 1 1 48 48 ASP N N 48 122.403 122.403 125.596 -3.193 18518 11700 1 18 . 1 1 48 48 ASP HA H 48 4.263 4.263 4.468 -0.205 18518 11701 1 18 . 1 1 48 48 ASP C C 48 175.294 175.294 176.091 -0.797 18518 11702 1 18 . 1 1 48 48 ASP CA C 48 55.832 55.832 56.078 -0.246 18518 11703 1 18 . 1 1 48 48 ASP CB C 48 40.184 40.184 41.420 -1.236 18518 11704 1 18 . 1 1 48 48 ASP H H 48 8.780 8.780 8.587 0.193 18518 11705 1 18 . 1 1 49 49 LYS N N 49 119.569 119.569 116.352 3.217 18518 11706 1 18 . 1 1 49 49 LYS HA H 49 4.585 4.585 4.525 0.060 18518 11707 1 18 . 1 1 49 49 LYS C C 49 174.678 174.678 175.350 -0.672 18518 11708 1 18 . 1 1 49 49 LYS CA C 49 53.652 53.652 55.641 -1.988 18518 11709 1 18 . 1 1 49 49 LYS CB C 49 35.945 35.945 34.959 0.986 18518 11710 1 18 . 1 1 49 49 LYS H H 49 7.280 7.280 7.566 -0.286 18518 11711 1 18 . 1 1 50 50 THR N N 50 110.862 110.862 114.263 -3.401 18518 11712 1 18 . 1 1 50 50 THR HA H 50 4.811 4.811 4.793 0.018 18518 11713 1 18 . 1 1 50 50 THR C C 50 172.425 172.425 173.930 -1.505 18518 11714 1 18 . 1 1 50 50 THR CA C 50 62.645 62.645 62.846 -0.201 18518 11715 1 18 . 1 1 50 50 THR CB C 50 71.648 71.648 70.060 1.588 18518 11716 1 18 . 1 1 50 50 THR H H 50 8.042 8.042 8.329 -0.287 18518 11717 1 18 . 1 1 51 51 LYS N N 51 120.008 120.008 122.133 -2.125 18518 11718 1 18 . 1 1 51 51 LYS HA H 51 4.625 4.625 5.080 -0.455 18518 11719 1 18 . 1 1 51 51 LYS C C 51 175.082 175.082 175.987 -0.905 18518 11720 1 18 . 1 1 51 51 LYS CA C 51 54.704 54.704 55.465 -0.761 18518 11721 1 18 . 1 1 51 51 LYS CB C 51 32.376 32.376 33.418 -1.042 18518 11722 1 18 . 1 1 51 51 LYS H H 51 7.119 7.119 7.523 -0.404 18518 11723 1 18 . 1 1 52 52 PHE N N 52 122.640 122.640 123.270 -0.630 18518 11724 1 18 . 1 1 52 52 PHE HA H 52 5.337 5.337 4.766 0.571 18518 11725 1 18 . 1 1 52 52 PHE C C 52 174.213 174.213 174.399 -0.186 18518 11726 1 18 . 1 1 52 52 PHE CA C 52 56.611 56.611 56.659 -0.048 18518 11727 1 18 . 1 1 52 52 PHE CB C 52 43.140 43.140 43.339 -0.199 18518 11728 1 18 . 1 1 52 52 PHE H H 52 9.709 9.709 9.247 0.462 18518 11729 1 18 . 1 1 53 53 LEU N N 53 122.157 122.157 123.309 -1.152 18518 11730 1 18 . 1 1 53 53 LEU HA H 53 4.947 4.947 4.889 0.058 18518 11731 1 18 . 1 1 53 53 LEU C C 53 175.769 175.769 175.763 0.006 18518 11732 1 18 . 1 1 53 53 LEU CA C 53 52.957 52.957 53.749 -0.792 18518 11733 1 18 . 1 1 53 53 LEU CB C 53 44.415 44.415 43.416 0.999 18518 11734 1 18 . 1 1 53 53 LEU H H 53 8.959 8.959 8.462 0.497 18518 11735 1 18 . 1 1 54 54 VAL N N 54 124.919 124.919 121.773 3.146 18518 11736 1 18 . 1 1 54 54 VAL HA H 54 4.559 4.559 4.759 -0.200 18518 11737 1 18 . 1 1 54 54 VAL CA C 54 59.130 59.130 57.851 1.279 18518 11738 1 18 . 1 1 54 54 VAL CB C 54 34.968 34.968 33.507 1.461 18518 11739 1 18 . 1 1 54 54 VAL H H 54 8.922 8.922 8.534 0.388 18518 11740 1 18 . 1 1 55 55 PRO HA H 55 4.441 4.441 4.749 -0.308 18518 11741 1 18 . 1 1 55 55 PRO C C 55 176.594 176.594 178.083 -1.489 18518 11742 1 18 . 1 1 55 55 PRO CA C 55 64.315 64.315 62.275 2.040 18518 11743 1 18 . 1 1 55 55 PRO CB C 55 32.665 32.665 32.475 0.190 18518 11744 1 18 . 1 1 56 56 ASP N N 56 120.522 120.522 123.802 -3.280 18518 11745 1 18 . 1 1 56 56 ASP HA H 56 3.862 3.862 4.185 -0.323 18518 11746 1 18 . 1 1 56 56 ASP C C 56 175.809 175.809 176.766 -0.957 18518 11747 1 18 . 1 1 56 56 ASP CA C 56 56.749 56.749 57.254 -0.505 18518 11748 1 18 . 1 1 56 56 ASP CB C 56 40.510 40.510 40.947 -0.437 18518 11749 1 18 . 1 1 56 56 ASP H H 56 8.347 8.347 8.166 0.181 18518 11750 1 18 . 1 1 57 57 HIS N N 57 113.482 113.482 115.725 -2.243 18518 11751 1 18 . 1 1 57 57 HIS HA H 57 4.720 4.720 4.643 0.077 18518 11752 1 18 . 1 1 57 57 HIS C C 57 176.507 176.507 175.980 0.527 18518 11753 1 18 . 1 1 57 57 HIS CA C 57 55.589 55.589 56.152 -0.563 18518 11754 1 18 . 1 1 57 57 HIS CB C 57 30.643 30.643 29.521 1.122 18518 11755 1 18 . 1 1 57 57 HIS H H 57 7.557 7.557 8.117 -0.560 18518 11756 1 18 . 1 1 58 58 VAL N N 58 123.279 123.279 121.760 1.519 18518 11757 1 18 . 1 1 58 58 VAL HA H 58 3.836 3.836 3.959 -0.123 18518 11758 1 18 . 1 1 58 58 VAL C C 58 175.019 175.019 174.946 0.073 18518 11759 1 18 . 1 1 58 58 VAL CA C 58 62.823 62.823 62.580 0.243 18518 11760 1 18 . 1 1 58 58 VAL CB C 58 32.310 32.310 32.740 -0.430 18518 11761 1 18 . 1 1 58 58 VAL H H 58 7.345 7.345 7.205 0.140 18518 11762 1 18 . 1 1 59 59 ASN N N 59 123.781 123.781 122.542 1.239 18518 11763 1 18 . 1 1 59 59 ASN HA H 59 5.126 5.126 5.366 -0.240 18518 11764 1 18 . 1 1 59 59 ASN C C 59 176.558 176.558 176.801 -0.243 18518 11765 1 18 . 1 1 59 59 ASN CA C 59 51.485 51.485 51.455 0.030 18518 11766 1 18 . 1 1 59 59 ASN CB C 59 40.107 40.107 40.949 -0.842 18518 11767 1 18 . 1 1 59 59 ASN H H 59 8.735 8.735 8.315 0.420 18518 11768 1 18 . 1 1 60 60 MET N N 60 117.453 117.453 119.747 -2.294 18518 11769 1 18 . 1 1 60 60 MET HA H 60 4.395 4.395 4.005 0.390 18518 11770 1 18 . 1 1 60 60 MET C C 60 178.144 178.144 178.080 0.064 18518 11771 1 18 . 1 1 60 60 MET CA C 60 57.097 57.097 58.037 -0.940 18518 11772 1 18 . 1 1 60 60 MET CB C 60 30.140 30.140 30.722 -0.582 18518 11773 1 18 . 1 1 60 60 MET H H 60 8.227 8.227 8.598 -0.371 18518 11774 1 18 . 1 1 61 61 SER N N 61 114.216 114.216 115.491 -1.275 18518 11775 1 18 . 1 1 61 61 SER HA H 61 4.111 4.111 4.066 0.045 18518 11776 1 18 . 1 1 61 61 SER C C 61 177.335 177.335 176.677 0.658 18518 11777 1 18 . 1 1 61 61 SER CA C 61 61.590 61.590 62.365 -0.775 18518 11778 1 18 . 1 1 61 61 SER CB C 61 62.402 62.402 62.825 -0.423 18518 11779 1 18 . 1 1 61 61 SER H H 61 8.464 8.464 8.391 0.073 18518 11780 1 18 . 1 1 62 62 GLU N N 62 123.004 123.004 121.493 1.511 18518 11781 1 18 . 1 1 62 62 GLU HA H 62 4.047 4.047 4.114 -0.067 18518 11782 1 18 . 1 1 62 62 GLU C C 62 178.686 178.686 178.763 -0.077 18518 11783 1 18 . 1 1 62 62 GLU CA C 62 58.625 58.625 58.757 -0.132 18518 11784 1 18 . 1 1 62 62 GLU CB C 62 29.654 29.654 29.200 0.454 18518 11785 1 18 . 1 1 62 62 GLU H H 62 7.994 7.994 7.775 0.219 18518 11786 1 18 . 1 1 63 63 LEU N N 63 120.818 120.818 122.611 -1.793 18518 11787 1 18 . 1 1 63 63 LEU HA H 63 3.965 3.965 3.980 -0.015 18518 11788 1 18 . 1 1 63 63 LEU C C 63 178.046 178.046 179.040 -0.994 18518 11789 1 18 . 1 1 63 63 LEU CA C 63 57.920 57.920 57.639 0.281 18518 11790 1 18 . 1 1 63 63 LEU CB C 63 41.624 41.624 41.138 0.486 18518 11791 1 18 . 1 1 63 63 LEU H H 63 8.130 8.130 7.871 0.259 18518 11792 1 18 . 1 1 64 64 ILE N N 64 118.528 118.528 119.160 -0.632 18518 11793 1 18 . 1 1 64 64 ILE HA H 64 3.369 3.369 3.655 -0.286 18518 11794 1 18 . 1 1 64 64 ILE C C 64 177.127 177.127 177.604 -0.477 18518 11795 1 18 . 1 1 64 64 ILE CA C 64 66.678 66.678 64.941 1.737 18518 11796 1 18 . 1 1 64 64 ILE CB C 64 38.444 38.444 37.477 0.967 18518 11797 1 18 . 1 1 64 64 ILE H H 64 8.488 8.488 8.641 -0.153 18518 11798 1 18 . 1 1 65 65 LYS N N 65 118.336 118.336 120.744 -2.408 18518 11799 1 18 . 1 1 65 65 LYS HA H 65 3.701 3.701 4.008 -0.307 18518 11800 1 18 . 1 1 65 65 LYS C C 65 179.291 179.291 179.413 -0.122 18518 11801 1 18 . 1 1 65 65 LYS CA C 65 60.440 60.440 59.676 0.764 18518 11802 1 18 . 1 1 65 65 LYS CB C 65 32.371 32.371 32.113 0.258 18518 11803 1 18 . 1 1 65 65 LYS H H 65 7.347 7.347 7.602 -0.255 18518 11804 1 18 . 1 1 66 66 ILE N N 66 120.171 120.171 120.032 0.139 18518 11805 1 18 . 1 1 66 66 ILE HA H 66 3.578 3.578 3.694 -0.116 18518 11806 1 18 . 1 1 66 66 ILE C C 66 178.873 178.873 178.132 0.741 18518 11807 1 18 . 1 1 66 66 ILE CA C 66 65.160 65.160 65.263 -0.103 18518 11808 1 18 . 1 1 66 66 ILE CB C 66 38.633 38.633 38.001 0.632 18518 11809 1 18 . 1 1 66 66 ILE H H 66 7.901 7.901 8.245 -0.344 18518 11810 1 18 . 1 1 67 67 ILE N N 67 121.185 121.185 120.614 0.571 18518 11811 1 18 . 1 1 67 67 ILE HA H 67 3.446 3.446 3.603 -0.157 18518 11812 1 18 . 1 1 67 67 ILE C C 67 177.150 177.150 177.739 -0.589 18518 11813 1 18 . 1 1 67 67 ILE CA C 67 62.806 62.806 64.642 -1.836 18518 11814 1 18 . 1 1 67 67 ILE CB C 67 34.995 34.995 37.337 -2.342 18518 11815 1 18 . 1 1 67 67 ILE H H 67 8.290 8.290 7.828 0.462 18518 11816 1 18 . 1 1 68 68 ARG N N 68 119.173 119.173 118.829 0.344 18518 11817 1 18 . 1 1 68 68 ARG HA H 68 2.931 2.931 3.725 -0.794 18518 11818 1 18 . 1 1 68 68 ARG C C 68 178.496 178.496 178.645 -0.149 18518 11819 1 18 . 1 1 68 68 ARG CA C 68 60.636 60.636 59.496 1.140 18518 11820 1 18 . 1 1 68 68 ARG CB C 68 30.440 30.440 29.730 0.710 18518 11821 1 18 . 1 1 68 68 ARG H H 68 8.438 8.438 8.421 0.017 18518 11822 1 18 . 1 1 69 69 ARG N N 69 116.511 116.511 120.160 -3.649 18518 11823 1 18 . 1 1 69 69 ARG HA H 69 4.134 4.134 4.040 0.094 18518 11824 1 18 . 1 1 69 69 ARG C C 69 180.262 180.262 178.903 1.359 18518 11825 1 18 . 1 1 69 69 ARG CA C 69 58.707 58.707 58.984 -0.277 18518 11826 1 18 . 1 1 69 69 ARG CB C 69 29.953 29.953 29.995 -0.043 18518 11827 1 18 . 1 1 69 69 ARG H H 69 7.497 7.497 8.155 -0.658 18518 11828 1 18 . 1 1 70 70 ARG N N 70 123.297 123.297 118.653 4.644 18518 11829 1 18 . 1 1 70 70 ARG HA H 70 4.016 4.016 4.131 -0.115 18518 11830 1 18 . 1 1 70 70 ARG C C 70 178.700 178.700 178.278 0.422 18518 11831 1 18 . 1 1 70 70 ARG CA C 70 59.460 59.460 58.599 0.861 18518 11832 1 18 . 1 1 70 70 ARG CB C 70 30.312 30.312 29.685 0.627 18518 11833 1 18 . 1 1 70 70 ARG H H 70 8.075 8.075 7.899 0.176 18518 11834 1 18 . 1 1 71 71 LEU N N 71 116.829 116.829 118.577 -1.748 18518 11835 1 18 . 1 1 71 71 LEU HA H 71 4.065 4.065 4.187 -0.122 18518 11836 1 18 . 1 1 71 71 LEU C C 71 174.956 174.956 176.563 -1.607 18518 11837 1 18 . 1 1 71 71 LEU CA C 71 55.126 55.126 55.508 -0.382 18518 11838 1 18 . 1 1 71 71 LEU CB C 71 43.246 43.246 42.184 1.062 18518 11839 1 18 . 1 1 71 71 LEU H H 71 7.719 7.719 7.682 0.037 18518 11840 1 18 . 1 1 72 72 GLN N N 72 114.991 114.991 115.806 -0.815 18518 11841 1 18 . 1 1 72 72 GLN HA H 72 3.836 3.836 3.854 -0.018 18518 11842 1 18 . 1 1 72 72 GLN C C 72 175.683 175.683 175.409 0.274 18518 11843 1 18 . 1 1 72 72 GLN CA C 72 56.325 56.325 56.170 0.155 18518 11844 1 18 . 1 1 72 72 GLN CB C 72 26.004 26.004 26.450 -0.446 18518 11845 1 18 . 1 1 72 72 GLN H H 72 7.744 7.744 7.682 0.062 18518 11846 1 18 . 1 1 73 73 LEU N N 73 115.045 115.045 118.565 -3.520 18518 11847 1 18 . 1 1 73 73 LEU HA H 73 4.236 4.236 4.211 0.025 18518 11848 1 18 . 1 1 73 73 LEU C C 73 178.762 178.762 177.847 0.915 18518 11849 1 18 . 1 1 73 73 LEU CA C 73 54.386 54.386 54.248 0.138 18518 11850 1 18 . 1 1 73 73 LEU CB C 73 42.091 42.091 41.835 0.256 18518 11851 1 18 . 1 1 73 73 LEU H H 73 7.500 7.500 7.844 -0.344 18518 11852 1 18 . 1 1 74 74 ASN N N 74 121.700 121.700 118.360 3.340 18518 11853 1 18 . 1 1 74 74 ASN HA H 74 4.690 4.690 4.509 0.181 18518 11854 1 18 . 1 1 74 74 ASN C C 74 176.617 176.617 175.679 0.938 18518 11855 1 18 . 1 1 74 74 ASN CA C 74 52.685 52.685 53.803 -1.118 18518 11856 1 18 . 1 1 74 74 ASN CB C 74 39.598 39.598 39.655 -0.057 18518 11857 1 18 . 1 1 74 74 ASN H H 74 9.045 9.045 8.571 0.474 18518 11858 1 18 . 1 1 75 75 ALA N N 75 123.952 123.952 123.075 0.877 18518 11859 1 18 . 1 1 75 75 ALA HA H 75 3.964 3.964 4.340 -0.376 18518 11860 1 18 . 1 1 75 75 ALA C C 75 178.131 178.131 177.396 0.735 18518 11861 1 18 . 1 1 75 75 ALA CA C 75 54.868 54.868 53.746 1.122 18518 11862 1 18 . 1 1 75 75 ALA CB C 75 18.718 18.718 19.167 -0.449 18518 11863 1 18 . 1 1 75 75 ALA H H 75 8.784 8.784 8.578 0.206 18518 11864 1 18 . 1 1 76 76 ASN N N 76 112.295 112.295 115.664 -3.369 18518 11865 1 18 . 1 1 76 76 ASN HA H 76 4.580 4.580 4.635 -0.055 18518 11866 1 18 . 1 1 76 76 ASN C C 76 175.448 175.448 175.049 0.399 18518 11867 1 18 . 1 1 76 76 ASN CA C 76 53.214 53.214 53.032 0.181 18518 11868 1 18 . 1 1 76 76 ASN CB C 76 38.320 38.320 38.953 -0.633 18518 11869 1 18 . 1 1 76 76 ASN H H 76 8.391 8.391 8.594 -0.203 18518 11870 1 18 . 1 1 77 77 GLN N N 77 120.577 120.577 118.309 2.268 18518 11871 1 18 . 1 1 77 77 GLN HA H 77 4.273 4.273 4.679 -0.406 18518 11872 1 18 . 1 1 77 77 GLN C C 77 175.045 175.045 174.400 0.645 18518 11873 1 18 . 1 1 77 77 GLN CA C 77 55.805 55.805 54.795 1.010 18518 11874 1 18 . 1 1 77 77 GLN CB C 77 30.157 30.157 30.561 -0.404 18518 11875 1 18 . 1 1 77 77 GLN H H 77 7.552 7.552 7.507 0.045 18518 11876 1 18 . 1 1 78 78 ALA N N 78 130.670 130.670 124.606 6.064 18518 11877 1 18 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.625 -0.454 18518 11878 1 18 . 1 1 78 78 ALA C C 78 176.512 176.512 175.245 1.267 18518 11879 1 18 . 1 1 78 78 ALA CA C 78 52.842 52.842 51.346 1.496 18518 11880 1 18 . 1 1 78 78 ALA CB C 78 20.060 20.060 21.481 -1.421 18518 11881 1 18 . 1 1 78 78 ALA H H 78 8.799 8.799 8.703 0.096 18518 11882 1 18 . 1 1 79 79 PHE N N 79 119.325 119.325 115.880 3.445 18518 11883 1 18 . 1 1 79 79 PHE HA H 79 4.434 4.434 4.740 -0.306 18518 11884 1 18 . 1 1 79 79 PHE C C 79 171.726 171.726 172.706 -0.980 18518 11885 1 18 . 1 1 79 79 PHE CA C 79 59.145 59.145 55.061 4.084 18518 11886 1 18 . 1 1 79 79 PHE CB C 79 42.171 42.171 41.410 0.761 18518 11887 1 18 . 1 1 79 79 PHE H H 79 7.664 7.664 8.160 -0.496 18518 11888 1 18 . 1 1 80 80 PHE N N 80 126.314 126.314 117.176 9.138 18518 11889 1 18 . 1 1 80 80 PHE HA H 80 4.392 4.392 4.412 -0.020 18518 11890 1 18 . 1 1 80 80 PHE C C 80 177.169 177.169 173.064 4.105 18518 11891 1 18 . 1 1 80 80 PHE CA C 80 56.653 56.653 56.283 0.370 18518 11892 1 18 . 1 1 80 80 PHE CB C 80 41.933 41.933 42.471 -0.538 18518 11893 1 18 . 1 1 80 80 PHE H H 80 8.508 8.508 8.900 -0.392 18518 11894 1 18 . 1 1 81 81 LEU N N 81 121.426 121.426 121.214 0.212 18518 11895 1 18 . 1 1 81 81 LEU HA H 81 4.851 4.851 5.264 -0.413 18518 11896 1 18 . 1 1 81 81 LEU C C 81 174.488 174.488 174.601 -0.113 18518 11897 1 18 . 1 1 81 81 LEU CA C 81 53.197 53.197 53.856 -0.659 18518 11898 1 18 . 1 1 81 81 LEU CB C 81 45.100 45.100 45.329 -0.229 18518 11899 1 18 . 1 1 81 81 LEU H H 81 8.229 8.229 8.460 -0.231 18518 11900 1 18 . 1 1 82 82 LEU N N 82 125.155 125.155 125.614 -0.459 18518 11901 1 18 . 1 1 82 82 LEU HA H 82 4.833 4.833 4.614 0.219 18518 11902 1 18 . 1 1 82 82 LEU C C 82 177.166 177.166 174.990 2.176 18518 11903 1 18 . 1 1 82 82 LEU CA C 82 54.197 54.197 53.944 0.253 18518 11904 1 18 . 1 1 82 82 LEU CB C 82 43.442 43.442 45.120 -1.678 18518 11905 1 18 . 1 1 82 82 LEU H H 82 9.400 9.400 9.205 0.195 18518 11906 1 18 . 1 1 83 83 VAL N N 83 123.886 123.886 122.342 1.544 18518 11907 1 18 . 1 1 83 83 VAL HA H 83 4.379 4.379 4.486 -0.107 18518 11908 1 18 . 1 1 83 83 VAL C C 83 175.810 175.810 176.952 -1.142 18518 11909 1 18 . 1 1 83 83 VAL CA C 83 61.677 61.677 61.807 -0.130 18518 11910 1 18 . 1 1 83 83 VAL CB C 83 33.758 33.758 31.468 2.290 18518 11911 1 18 . 1 1 83 83 VAL H H 83 8.721 8.721 8.646 0.075 18518 11912 1 18 . 1 1 84 84 ASN N N 84 126.474 126.474 127.844 -1.370 18518 11913 1 18 . 1 1 84 84 ASN HA H 84 4.396 4.396 4.472 -0.076 18518 11914 1 18 . 1 1 84 84 ASN C C 84 175.164 175.164 175.325 -0.161 18518 11915 1 18 . 1 1 84 84 ASN CA C 84 54.738 54.738 54.526 0.212 18518 11916 1 18 . 1 1 84 84 ASN CB C 84 37.950 37.950 36.926 1.024 18518 11917 1 18 . 1 1 84 84 ASN H H 84 9.707 9.707 9.478 0.229 18518 11918 1 18 . 1 1 85 85 GLY N N 85 101.296 101.296 104.734 -3.438 18518 11919 1 18 . 1 1 85 85 GLY C C 85 173.680 173.680 173.337 0.343 18518 11920 1 18 . 1 1 85 85 GLY CA C 85 45.603 45.603 45.095 0.508 18518 11921 1 18 . 1 1 85 85 GLY H H 85 8.644 8.644 8.082 0.562 18518 11922 1 18 . 1 1 86 86 HIS N N 86 117.238 117.238 118.891 -1.653 18518 11923 1 18 . 1 1 86 86 HIS HA H 86 5.017 5.017 4.684 0.333 18518 11924 1 18 . 1 1 86 86 HIS C C 86 173.841 173.841 173.718 0.123 18518 11925 1 18 . 1 1 86 86 HIS CA C 86 53.796 53.796 54.564 -0.768 18518 11926 1 18 . 1 1 86 86 HIS CB C 86 31.280 31.280 32.587 -1.308 18518 11927 1 18 . 1 1 86 86 HIS H H 86 7.918 7.918 8.172 -0.254 18518 11928 1 18 . 1 1 87 87 SER N N 87 118.179 118.179 118.837 -0.658 18518 11929 1 18 . 1 1 87 87 SER HA H 87 4.699 4.699 4.594 0.105 18518 11930 1 18 . 1 1 87 87 SER C C 87 175.904 175.904 174.446 1.458 18518 11931 1 18 . 1 1 87 87 SER CA C 87 58.271 58.271 58.054 0.217 18518 11932 1 18 . 1 1 87 87 SER CB C 87 63.735 63.735 62.682 1.053 18518 11933 1 18 . 1 1 87 87 SER H H 87 8.977 8.977 8.723 0.254 18518 11934 1 18 . 1 1 88 88 MET N N 88 125.472 125.472 125.432 0.040 18518 11935 1 18 . 1 1 88 88 MET HA H 88 4.830 4.830 4.595 0.235 18518 11936 1 18 . 1 1 88 88 MET C C 88 176.419 176.419 175.561 0.858 18518 11937 1 18 . 1 1 88 88 MET CA C 88 54.899 54.899 54.956 -0.057 18518 11938 1 18 . 1 1 88 88 MET CB C 88 33.336 33.336 33.451 -0.115 18518 11939 1 18 . 1 1 88 88 MET H H 88 9.184 9.184 8.570 0.614 18518 11940 1 18 . 1 1 89 89 VAL N N 89 120.747 120.747 121.616 -0.869 18518 11941 1 18 . 1 1 89 89 VAL HA H 89 4.232 4.232 4.196 0.036 18518 11942 1 18 . 1 1 89 89 VAL C C 89 175.958 175.958 174.966 0.992 18518 11943 1 18 . 1 1 89 89 VAL CA C 89 63.154 63.154 61.700 1.454 18518 11944 1 18 . 1 1 89 89 VAL CB C 89 31.878 31.878 32.996 -1.118 18518 11945 1 18 . 1 1 89 89 VAL H H 89 8.233 8.233 7.773 0.460 18518 11946 1 18 . 1 1 90 90 SER N N 90 117.362 117.362 123.582 -6.220 18518 11947 1 18 . 1 1 90 90 SER HA H 90 4.590 4.590 4.616 -0.026 18518 11948 1 18 . 1 1 90 90 SER C C 90 175.741 175.741 175.574 0.167 18518 11949 1 18 . 1 1 90 90 SER CA C 90 57.717 57.717 57.323 0.394 18518 11950 1 18 . 1 1 90 90 SER CB C 90 63.223 63.223 64.349 -1.126 18518 11951 1 18 . 1 1 90 90 SER H H 90 8.482 8.482 8.449 0.033 18518 11952 1 18 . 1 1 91 91 VAL N N 91 120.466 120.466 122.375 -1.909 18518 11953 1 18 . 1 1 91 91 VAL HA H 91 4.047 4.047 3.838 0.209 18518 11954 1 18 . 1 1 91 91 VAL C C 91 176.329 176.329 175.960 0.369 18518 11955 1 18 . 1 1 91 91 VAL CA C 91 63.492 63.492 64.442 -0.950 18518 11956 1 18 . 1 1 91 91 VAL CB C 91 32.568 32.568 31.817 0.751 18518 11957 1 18 . 1 1 91 91 VAL H H 91 8.188 8.188 8.668 -0.480 18518 11958 1 18 . 1 1 92 92 SER N N 92 116.398 116.398 114.169 2.229 18518 11959 1 18 . 1 1 92 92 SER HA H 92 4.636 4.636 4.669 -0.033 18518 11960 1 18 . 1 1 92 92 SER C C 92 174.159 174.159 173.626 0.533 18518 11961 1 18 . 1 1 92 92 SER CA C 92 57.805 57.805 57.729 0.076 18518 11962 1 18 . 1 1 92 92 SER CB C 92 63.046 63.046 63.257 -0.211 18518 11963 1 18 . 1 1 92 92 SER H H 92 8.370 8.370 8.155 0.215 18518 11964 1 18 . 1 1 93 93 THR N N 93 119.211 119.211 118.774 0.437 18518 11965 1 18 . 1 1 93 93 THR HA H 93 4.484 4.484 4.856 -0.372 18518 11966 1 18 . 1 1 93 93 THR CA C 93 60.884 60.884 60.048 0.836 18518 11967 1 18 . 1 1 93 93 THR CB C 93 70.609 70.609 69.624 0.985 18518 11968 1 18 . 1 1 93 93 THR H H 93 7.416 7.416 7.483 -0.067 18518 11969 1 18 . 1 1 94 94 PRO HA H 94 4.440 4.440 4.780 -0.340 18518 11970 1 18 . 1 1 94 94 PRO C C 94 178.775 178.775 177.454 1.321 18518 11971 1 18 . 1 1 94 94 PRO CA C 94 62.943 62.943 62.470 0.473 18518 11972 1 18 . 1 1 94 94 PRO CB C 94 32.649 32.649 32.594 0.054 18518 11973 1 18 . 1 1 95 95 ILE N N 95 124.174 124.174 123.752 0.422 18518 11974 1 18 . 1 1 95 95 ILE HA H 95 3.949 3.949 3.830 0.119 18518 11975 1 18 . 1 1 95 95 ILE C C 95 176.498 176.498 177.254 -0.756 18518 11976 1 18 . 1 1 95 95 ILE CA C 95 63.904 63.904 61.644 2.260 18518 11977 1 18 . 1 1 95 95 ILE CB C 95 38.182 38.182 37.974 0.208 18518 11978 1 18 . 1 1 95 95 ILE H H 95 9.305 9.305 8.657 0.648 18518 11979 1 18 . 1 1 96 96 SER N N 96 116.920 116.920 115.740 1.180 18518 11980 1 18 . 1 1 96 96 SER HA H 96 4.029 4.029 4.036 -0.007 18518 11981 1 18 . 1 1 96 96 SER C C 96 176.574 176.574 176.074 0.500 18518 11982 1 18 . 1 1 96 96 SER CA C 96 61.356 61.356 62.980 -1.624 18518 11983 1 18 . 1 1 96 96 SER CB C 96 61.723 61.723 62.854 -1.131 18518 11984 1 18 . 1 1 96 96 SER H H 96 8.335 8.335 8.021 0.314 18518 11985 1 18 . 1 1 97 97 GLU N N 97 123.255 123.255 121.161 2.094 18518 11986 1 18 . 1 1 97 97 GLU HA H 97 4.278 4.278 4.171 0.107 18518 11987 1 18 . 1 1 97 97 GLU C C 97 179.716 179.716 178.820 0.896 18518 11988 1 18 . 1 1 97 97 GLU CA C 97 58.792 58.792 59.050 -0.258 18518 11989 1 18 . 1 1 97 97 GLU CB C 97 29.562 29.562 29.254 0.308 18518 11990 1 18 . 1 1 97 97 GLU H H 97 7.376 7.376 7.794 -0.418 18518 11991 1 18 . 1 1 98 98 VAL N N 98 121.137 121.137 120.978 0.159 18518 11992 1 18 . 1 1 98 98 VAL HA H 98 3.802 3.802 3.600 0.202 18518 11993 1 18 . 1 1 98 98 VAL C C 98 177.637 177.637 178.058 -0.421 18518 11994 1 18 . 1 1 98 98 VAL CA C 98 65.824 65.824 66.496 -0.672 18518 11995 1 18 . 1 1 98 98 VAL CB C 98 32.154 32.154 31.513 0.641 18518 11996 1 18 . 1 1 98 98 VAL H H 98 7.387 7.387 7.857 -0.470 18518 11997 1 18 . 1 1 99 99 TYR N N 99 118.927 118.927 121.397 -2.470 18518 11998 1 18 . 1 1 99 99 TYR HA H 99 3.990 3.990 4.034 -0.044 18518 11999 1 18 . 1 1 99 99 TYR C C 99 176.081 176.081 176.898 -0.817 18518 12000 1 18 . 1 1 99 99 TYR CA C 99 62.223 62.223 61.883 0.340 18518 12001 1 18 . 1 1 99 99 TYR CB C 99 38.982 38.982 38.592 0.390 18518 12002 1 18 . 1 1 99 99 TYR H H 99 9.048 9.048 8.385 0.663 18518 12003 1 18 . 1 1 100 100 GLU N N 100 113.894 113.894 116.787 -2.893 18518 12004 1 18 . 1 1 100 100 GLU HA H 100 3.846 3.846 3.743 0.103 18518 12005 1 18 . 1 1 100 100 GLU C C 100 177.989 177.989 179.434 -1.445 18518 12006 1 18 . 1 1 100 100 GLU CA C 100 59.087 59.087 58.800 0.287 18518 12007 1 18 . 1 1 100 100 GLU CB C 100 29.382 29.382 28.997 0.385 18518 12008 1 18 . 1 1 100 100 GLU H H 100 7.422 7.422 8.266 -0.844 18518 12009 1 18 . 1 1 101 101 SER N N 101 108.991 108.991 115.037 -6.046 18518 12010 1 18 . 1 1 101 101 SER HA H 101 4.524 4.524 4.357 0.167 18518 12011 1 18 . 1 1 101 101 SER C C 101 176.628 176.628 175.601 1.027 18518 12012 1 18 . 1 1 101 101 SER CA C 101 60.349 60.349 60.689 -0.340 18518 12013 1 18 . 1 1 101 101 SER CB C 101 64.741 64.741 63.468 1.273 18518 12014 1 18 . 1 1 101 101 SER H H 101 7.424 7.424 8.291 -0.867 18518 12015 1 18 . 1 1 102 102 GLU N N 102 116.533 116.533 118.426 -1.893 18518 12016 1 18 . 1 1 102 102 GLU HA H 102 4.744 4.744 4.526 0.218 18518 12017 1 18 . 1 1 102 102 GLU C C 102 176.774 176.774 176.124 0.650 18518 12018 1 18 . 1 1 102 102 GLU CA C 102 55.581 55.581 54.922 0.659 18518 12019 1 18 . 1 1 102 102 GLU CB C 102 30.697 30.697 30.611 0.086 18518 12020 1 18 . 1 1 102 102 GLU H H 102 8.487 8.487 7.905 0.582 18518 12021 1 18 . 1 1 103 103 LYS N N 103 118.370 118.370 120.724 -2.354 18518 12022 1 18 . 1 1 103 103 LYS HA H 103 4.178 4.178 3.810 0.368 18518 12023 1 18 . 1 1 103 103 LYS C C 103 175.018 175.018 176.592 -1.574 18518 12024 1 18 . 1 1 103 103 LYS CA C 103 57.329 57.329 57.710 -0.381 18518 12025 1 18 . 1 1 103 103 LYS CB C 103 32.186 32.186 32.469 -0.284 18518 12026 1 18 . 1 1 103 103 LYS H H 103 7.831 7.831 7.600 0.231 18518 12027 1 18 . 1 1 104 104 ASP N N 104 123.500 123.500 125.590 -2.090 18518 12028 1 18 . 1 1 104 104 ASP HA H 104 4.755 4.755 4.672 0.083 18518 12029 1 18 . 1 1 104 104 ASP C C 104 177.383 177.383 177.247 0.136 18518 12030 1 18 . 1 1 104 104 ASP CA C 104 53.846 53.846 53.264 0.582 18518 12031 1 18 . 1 1 104 104 ASP CB C 104 43.411 43.411 43.059 0.352 18518 12032 1 18 . 1 1 104 104 ASP H H 104 9.041 9.041 7.998 1.043 18518 12033 1 18 . 1 1 105 105 GLU N N 105 125.448 125.448 120.255 5.193 18518 12034 1 18 . 1 1 105 105 GLU HA H 105 4.180 4.180 4.111 0.069 18518 12035 1 18 . 1 1 105 105 GLU C C 105 177.519 177.519 176.703 0.816 18518 12036 1 18 . 1 1 105 105 GLU CA C 105 59.529 59.529 58.953 0.576 18518 12037 1 18 . 1 1 105 105 GLU CB C 105 30.044 30.044 29.688 0.356 18518 12038 1 18 . 1 1 105 105 GLU H H 105 8.906 8.906 8.806 0.100 18518 12039 1 18 . 1 1 106 106 ASP N N 106 118.824 118.824 115.563 3.261 18518 12040 1 18 . 1 1 106 106 ASP HA H 106 4.179 4.179 4.673 -0.494 18518 12041 1 18 . 1 1 106 106 ASP C C 106 176.223 176.223 177.064 -0.841 18518 12042 1 18 . 1 1 106 106 ASP CA C 106 54.756 54.756 53.553 1.203 18518 12043 1 18 . 1 1 106 106 ASP CB C 106 39.999 39.999 39.992 0.007 18518 12044 1 18 . 1 1 106 106 ASP H H 106 10.036 10.036 8.196 1.840 18518 12045 1 18 . 1 1 107 107 GLY N N 107 105.866 105.866 106.673 -0.807 18518 12046 1 18 . 1 1 107 107 GLY C C 107 175.136 175.136 174.373 0.763 18518 12047 1 18 . 1 1 107 107 GLY CA C 107 45.222 45.222 45.440 -0.218 18518 12048 1 18 . 1 1 107 107 GLY H H 107 8.001 8.001 7.773 0.228 18518 12049 1 18 . 1 1 108 108 PHE N N 108 123.820 123.820 122.413 1.407 18518 12050 1 18 . 1 1 108 108 PHE HA H 108 4.662 4.662 4.740 -0.078 18518 12051 1 18 . 1 1 108 108 PHE C C 108 174.899 174.899 174.711 0.188 18518 12052 1 18 . 1 1 108 108 PHE CA C 108 60.238 60.238 59.475 0.763 18518 12053 1 18 . 1 1 108 108 PHE CB C 108 40.365 40.365 40.881 -0.516 18518 12054 1 18 . 1 1 108 108 PHE H H 108 9.912 9.912 8.069 1.843 18518 12055 1 18 . 1 1 109 109 LEU N N 109 120.130 120.130 124.079 -3.949 18518 12056 1 18 . 1 1 109 109 LEU HA H 109 5.030 5.030 4.908 0.122 18518 12057 1 18 . 1 1 109 109 LEU C C 109 173.916 173.916 174.745 -0.829 18518 12058 1 18 . 1 1 109 109 LEU CA C 109 53.424 53.424 53.963 -0.539 18518 12059 1 18 . 1 1 109 109 LEU CB C 109 45.203 45.203 44.499 0.704 18518 12060 1 18 . 1 1 109 109 LEU H H 109 7.997 7.997 8.808 -0.811 18518 12061 1 18 . 1 1 110 110 TYR N N 110 126.579 126.579 126.725 -0.146 18518 12062 1 18 . 1 1 110 110 TYR HA H 110 5.003 5.003 4.676 0.327 18518 12063 1 18 . 1 1 110 110 TYR C C 110 176.671 176.671 175.331 1.340 18518 12064 1 18 . 1 1 110 110 TYR CA C 110 59.058 59.058 58.296 0.762 18518 12065 1 18 . 1 1 110 110 TYR CB C 110 39.556 39.556 39.252 0.304 18518 12066 1 18 . 1 1 110 110 TYR H H 110 9.377 9.377 9.073 0.304 18518 12067 1 18 . 1 1 111 111 MET N N 111 119.240 119.240 121.958 -2.718 18518 12068 1 18 . 1 1 111 111 MET HA H 111 5.486 5.486 5.296 0.190 18518 12069 1 18 . 1 1 111 111 MET C C 111 175.695 175.695 174.712 0.983 18518 12070 1 18 . 1 1 111 111 MET CA C 111 54.124 54.124 54.690 -0.566 18518 12071 1 18 . 1 1 111 111 MET CB C 111 36.960 36.960 37.654 -0.694 18518 12072 1 18 . 1 1 111 111 MET H H 111 9.658 9.658 9.026 0.632 18518 12073 1 18 . 1 1 112 112 VAL N N 112 119.865 119.865 118.864 1.001 18518 12074 1 18 . 1 1 112 112 VAL HA H 112 5.963 5.963 5.407 0.556 18518 12075 1 18 . 1 1 112 112 VAL C C 112 175.058 175.058 174.490 0.568 18518 12076 1 18 . 1 1 112 112 VAL CA C 112 58.911 58.911 60.472 -1.561 18518 12077 1 18 . 1 1 112 112 VAL CB C 112 36.051 36.051 35.479 0.572 18518 12078 1 18 . 1 1 112 112 VAL H H 112 8.794 8.794 9.245 -0.451 18518 12079 1 18 . 1 1 113 113 TYR N N 113 119.664 119.664 121.000 -1.336 18518 12080 1 18 . 1 1 113 113 TYR HA H 113 6.118 6.118 5.584 0.534 18518 12081 1 18 . 1 1 113 113 TYR C C 113 173.375 173.375 173.516 -0.141 18518 12082 1 18 . 1 1 113 113 TYR CA C 113 54.153 54.153 55.144 -0.991 18518 12083 1 18 . 1 1 113 113 TYR CB C 113 43.312 43.312 41.747 1.565 18518 12084 1 18 . 1 1 113 113 TYR H H 113 8.315 8.315 8.567 -0.252 18518 12085 1 18 . 1 1 114 114 ALA N N 114 119.763 119.763 123.624 -3.861 18518 12086 1 18 . 1 1 114 114 ALA HA H 114 4.800 4.800 5.035 -0.235 18518 12087 1 18 . 1 1 114 114 ALA C C 114 176.216 176.216 175.185 1.031 18518 12088 1 18 . 1 1 114 114 ALA CA C 114 51.132 51.132 51.873 -0.741 18518 12089 1 18 . 1 1 114 114 ALA CB C 114 24.596 24.596 22.471 2.125 18518 12090 1 18 . 1 1 114 114 ALA H H 114 8.465 8.465 8.861 -0.396 18518 12091 1 18 . 1 1 115 115 SER N N 115 114.763 114.763 116.002 -1.239 18518 12092 1 18 . 1 1 115 115 SER HA H 115 4.496 4.496 4.861 -0.365 18518 12093 1 18 . 1 1 115 115 SER C C 115 172.671 172.671 173.613 -0.942 18518 12094 1 18 . 1 1 115 115 SER CA C 115 58.651 58.651 57.297 1.354 18518 12095 1 18 . 1 1 115 115 SER CB C 115 63.526 63.526 62.559 0.966 18518 12096 1 18 . 1 1 115 115 SER H H 115 9.915 9.915 9.249 0.666 18518 12097 1 18 . 1 1 116 116 GLN N N 116 116.611 116.611 123.435 -6.824 18518 12098 1 18 . 1 1 116 116 GLN HA H 116 4.484 4.484 4.647 -0.163 18518 12099 1 18 . 1 1 116 116 GLN C C 116 172.733 172.733 173.824 -1.091 18518 12100 1 18 . 1 1 116 116 GLN CA C 116 53.926 53.926 55.964 -2.038 18518 12101 1 18 . 1 1 116 116 GLN CB C 116 32.358 32.358 31.271 1.087 18518 12102 1 18 . 1 1 116 116 GLN H H 116 7.219 7.219 8.110 -0.891 18518 12103 1 18 . 1 1 117 117 GLU N N 117 117.623 117.623 120.661 -3.038 18518 12104 1 18 . 1 1 117 117 GLU HA H 117 3.287 3.287 3.435 -0.148 18518 12105 1 18 . 1 1 117 117 GLU C C 117 175.168 175.168 175.531 -0.363 18518 12106 1 18 . 1 1 117 117 GLU CA C 117 56.882 56.882 56.178 0.704 18518 12107 1 18 . 1 1 117 117 GLU CB C 117 30.522 30.522 29.520 1.002 18518 12108 1 18 . 1 1 117 117 GLU H H 117 7.882 7.882 8.529 -0.647 18518 12109 1 18 . 1 1 118 118 THR N N 118 109.820 109.820 112.372 -2.552 18518 12110 1 18 . 1 1 118 118 THR HA H 118 4.066 4.066 4.332 -0.266 18518 12111 1 18 . 1 1 118 118 THR C C 118 172.355 172.355 174.099 -1.744 18518 12112 1 18 . 1 1 118 118 THR CA C 118 60.029 60.029 61.092 -1.063 18518 12113 1 18 . 1 1 118 118 THR CB C 118 70.480 70.480 69.425 1.055 18518 12114 1 18 . 1 1 118 118 THR H H 118 6.992 6.992 7.461 -0.469 18518 12115 1 19 . 1 1 2 2 ALA HA H 2 4.336 4.336 5.215 -0.879 18518 12116 1 19 . 1 1 2 2 ALA C C 2 177.974 177.974 176.276 1.698 18518 12117 1 19 . 1 1 2 2 ALA CA C 2 52.785 52.785 51.541 1.244 18518 12118 1 19 . 1 1 2 2 ALA CB C 2 19.444 19.444 21.183 -1.739 18518 12119 1 19 . 1 1 3 3 MET N N 3 119.311 119.311 119.855 -0.544 18518 12120 1 19 . 1 1 3 3 MET HA H 3 4.451 4.451 4.739 -0.288 18518 12121 1 19 . 1 1 3 3 MET C C 3 176.913 176.913 175.973 0.940 18518 12122 1 19 . 1 1 3 3 MET CA C 3 55.679 55.679 54.840 0.839 18518 12123 1 19 . 1 1 3 3 MET CB C 3 32.590 32.590 35.306 -2.716 18518 12124 1 19 . 1 1 3 3 MET H H 3 8.638 8.638 8.583 0.055 18518 12125 1 19 . 1 1 4 4 GLY N N 4 110.281 110.281 109.865 0.416 18518 12126 1 19 . 1 1 4 4 GLY C C 4 174.180 174.180 173.933 0.247 18518 12127 1 19 . 1 1 4 4 GLY CA C 4 45.495 45.495 44.790 0.705 18518 12128 1 19 . 1 1 4 4 GLY H H 4 8.552 8.552 8.541 0.011 18518 12129 1 19 . 1 1 5 5 LYS N N 5 120.818 120.818 126.010 -5.192 18518 12130 1 19 . 1 1 5 5 LYS HA H 5 4.509 4.509 4.538 -0.029 18518 12131 1 19 . 1 1 5 5 LYS C C 5 177.605 177.605 176.720 0.885 18518 12132 1 19 . 1 1 5 5 LYS CA C 5 56.134 56.134 55.333 0.801 18518 12133 1 19 . 1 1 5 5 LYS CB C 5 34.813 34.813 33.571 1.242 18518 12134 1 19 . 1 1 5 5 LYS H H 5 8.133 8.133 8.326 -0.193 18518 12135 1 19 . 1 1 6 6 THR N N 6 114.781 114.781 114.329 0.452 18518 12136 1 19 . 1 1 6 6 THR HA H 6 4.421 4.421 4.397 0.024 18518 12137 1 19 . 1 1 6 6 THR C C 6 175.524 175.524 176.265 -0.741 18518 12138 1 19 . 1 1 6 6 THR CA C 6 61.127 61.127 60.839 0.288 18518 12139 1 19 . 1 1 6 6 THR CB C 6 69.926 69.926 70.115 -0.189 18518 12140 1 19 . 1 1 6 6 THR H H 6 8.483 8.483 8.366 0.117 18518 12141 1 19 . 1 1 7 7 PHE N N 7 125.552 125.552 118.732 6.820 18518 12142 1 19 . 1 1 7 7 PHE HA H 7 4.005 4.005 4.210 -0.205 18518 12143 1 19 . 1 1 7 7 PHE C C 7 177.397 177.397 177.389 0.008 18518 12144 1 19 . 1 1 7 7 PHE CA C 7 63.393 63.393 60.459 2.933 18518 12145 1 19 . 1 1 7 7 PHE CB C 7 39.567 39.567 38.165 1.402 18518 12146 1 19 . 1 1 7 7 PHE H H 7 10.245 10.245 8.554 1.691 18518 12147 1 19 . 1 1 8 8 LYS N N 8 114.053 114.053 119.398 -5.345 18518 12148 1 19 . 1 1 8 8 LYS HA H 8 3.835 3.835 4.007 -0.172 18518 12149 1 19 . 1 1 8 8 LYS C C 8 175.520 175.520 178.147 -2.627 18518 12150 1 19 . 1 1 8 8 LYS CA C 8 59.993 59.993 58.915 1.078 18518 12151 1 19 . 1 1 8 8 LYS CB C 8 33.689 33.689 32.033 1.656 18518 12152 1 19 . 1 1 8 8 LYS H H 8 8.775 8.775 7.220 1.555 18518 12153 1 19 . 1 1 9 9 GLN N N 9 113.516 113.516 116.725 -3.209 18518 12154 1 19 . 1 1 9 9 GLN HA H 9 4.149 4.149 4.120 0.029 18518 12155 1 19 . 1 1 9 9 GLN C C 9 177.615 177.615 178.535 -0.920 18518 12156 1 19 . 1 1 9 9 GLN CA C 9 56.819 56.819 57.827 -1.008 18518 12157 1 19 . 1 1 9 9 GLN CB C 9 30.019 30.019 28.898 1.121 18518 12158 1 19 . 1 1 9 9 GLN H H 9 7.355 7.355 7.314 0.041 18518 12159 1 19 . 1 1 10 10 ARG N N 10 118.294 118.294 117.527 0.767 18518 12160 1 19 . 1 1 10 10 ARG HA H 10 4.302 4.302 4.263 0.039 18518 12161 1 19 . 1 1 10 10 ARG C C 10 179.380 179.380 177.414 1.966 18518 12162 1 19 . 1 1 10 10 ARG CA C 10 57.268 57.268 57.383 -0.115 18518 12163 1 19 . 1 1 10 10 ARG CB C 10 31.642 31.642 30.808 0.834 18518 12164 1 19 . 1 1 10 10 ARG H H 10 7.936 7.936 8.015 -0.079 18518 12165 1 19 . 1 1 11 11 ARG N N 11 121.137 121.137 119.950 1.187 18518 12166 1 19 . 1 1 11 11 ARG HA H 11 4.680 4.680 4.613 0.067 18518 12167 1 19 . 1 1 11 11 ARG CA C 11 53.453 53.453 54.973 -1.520 18518 12168 1 19 . 1 1 11 11 ARG CB C 11 32.938 32.938 32.078 0.860 18518 12169 1 19 . 1 1 11 11 ARG H H 11 7.390 7.390 7.591 -0.201 18518 12170 1 19 . 1 1 12 12 THR N N 12 116.819 116.819 119.035 -2.216 18518 12171 1 19 . 1 1 12 12 THR HA H 12 4.359 4.359 4.376 -0.017 18518 12172 1 19 . 1 1 12 12 THR C C 12 174.989 174.989 176.591 -1.602 18518 12173 1 19 . 1 1 12 12 THR CA C 12 61.748 61.748 62.551 -0.803 18518 12174 1 19 . 1 1 12 12 THR CB C 12 71.068 71.068 70.190 0.878 18518 12175 1 19 . 1 1 12 12 THR H H 12 8.953 8.953 8.535 0.418 18518 12176 1 19 . 1 1 13 13 PHE N N 13 123.200 123.200 122.886 0.314 18518 12177 1 19 . 1 1 13 13 PHE HA H 13 4.028 4.028 4.210 -0.182 18518 12178 1 19 . 1 1 13 13 PHE C C 13 176.029 176.029 177.018 -0.989 18518 12179 1 19 . 1 1 13 13 PHE CA C 13 62.864 62.864 62.329 0.535 18518 12180 1 19 . 1 1 13 13 PHE CB C 13 39.560 39.560 39.185 0.375 18518 12181 1 19 . 1 1 13 13 PHE H H 13 9.284 9.284 9.017 0.267 18518 12182 1 19 . 1 1 14 14 GLU N N 14 115.414 115.414 117.576 -2.162 18518 12183 1 19 . 1 1 14 14 GLU HA H 14 3.794 3.794 3.781 0.013 18518 12184 1 19 . 1 1 14 14 GLU C C 14 180.081 180.081 178.972 1.109 18518 12185 1 19 . 1 1 14 14 GLU CA C 14 60.619 60.619 59.716 0.903 18518 12186 1 19 . 1 1 14 14 GLU CB C 14 28.852 28.852 29.042 -0.190 18518 12187 1 19 . 1 1 14 14 GLU H H 14 8.973 8.973 8.735 0.238 18518 12188 1 19 . 1 1 15 15 GLN N N 15 119.276 119.276 118.057 1.219 18518 12189 1 19 . 1 1 15 15 GLN HA H 15 4.000 4.000 4.163 -0.163 18518 12190 1 19 . 1 1 15 15 GLN C C 15 177.978 177.978 178.641 -0.663 18518 12191 1 19 . 1 1 15 15 GLN CA C 15 58.835 58.835 58.208 0.627 18518 12192 1 19 . 1 1 15 15 GLN CB C 15 29.370 29.370 28.023 1.347 18518 12193 1 19 . 1 1 15 15 GLN H H 15 7.756 7.756 7.870 -0.114 18518 12194 1 19 . 1 1 16 16 ARG N N 16 121.336 121.336 119.978 1.358 18518 12195 1 19 . 1 1 16 16 ARG HA H 16 4.270 4.270 4.171 0.099 18518 12196 1 19 . 1 1 16 16 ARG C C 16 177.416 177.416 178.747 -1.331 18518 12197 1 19 . 1 1 16 16 ARG CA C 16 61.375 61.375 59.634 1.741 18518 12198 1 19 . 1 1 16 16 ARG CB C 16 30.605 30.605 30.287 0.318 18518 12199 1 19 . 1 1 16 16 ARG H H 16 8.645 8.645 8.238 0.407 18518 12200 1 19 . 1 1 17 17 VAL N N 17 117.630 117.630 116.850 0.780 18518 12201 1 19 . 1 1 17 17 VAL HA H 17 3.857 3.857 3.734 0.123 18518 12202 1 19 . 1 1 17 17 VAL C C 17 179.748 179.748 177.565 2.183 18518 12203 1 19 . 1 1 17 17 VAL CA C 17 65.726 65.726 65.778 -0.052 18518 12204 1 19 . 1 1 17 17 VAL CB C 17 32.194 32.194 31.297 0.897 18518 12205 1 19 . 1 1 17 17 VAL H H 17 8.373 8.373 8.075 0.298 18518 12206 1 19 . 1 1 18 18 GLU N N 18 120.864 120.864 120.293 0.571 18518 12207 1 19 . 1 1 18 18 GLU HA H 18 4.302 4.302 3.849 0.453 18518 12208 1 19 . 1 1 18 18 GLU C C 18 177.728 177.728 178.173 -0.445 18518 12209 1 19 . 1 1 18 18 GLU CA C 18 58.486 58.486 59.844 -1.358 18518 12210 1 19 . 1 1 18 18 GLU CB C 18 29.382 29.382 29.391 -0.009 18518 12211 1 19 . 1 1 18 18 GLU H H 18 7.368 7.368 7.949 -0.581 18518 12212 1 19 . 1 1 19 19 ASP N N 19 121.425 121.425 119.813 1.612 18518 12213 1 19 . 1 1 19 19 ASP HA H 19 4.434 4.434 4.420 0.014 18518 12214 1 19 . 1 1 19 19 ASP C C 19 179.978 179.978 178.464 1.514 18518 12215 1 19 . 1 1 19 19 ASP CA C 19 57.422 57.422 57.170 0.252 18518 12216 1 19 . 1 1 19 19 ASP CB C 19 41.287 41.287 40.839 0.448 18518 12217 1 19 . 1 1 19 19 ASP H H 19 8.671 8.671 7.975 0.696 18518 12218 1 19 . 1 1 20 20 VAL N N 20 119.730 119.730 120.788 -1.058 18518 12219 1 19 . 1 1 20 20 VAL HA H 20 3.205 3.205 3.474 -0.269 18518 12220 1 19 . 1 1 20 20 VAL C C 20 176.284 176.284 177.110 -0.826 18518 12221 1 19 . 1 1 20 20 VAL CA C 20 66.315 66.315 65.689 0.626 18518 12222 1 19 . 1 1 20 20 VAL CB C 20 31.107 31.107 31.202 -0.095 18518 12223 1 19 . 1 1 20 20 VAL H H 20 7.999 7.999 7.720 0.279 18518 12224 1 19 . 1 1 21 21 ARG N N 21 121.455 121.455 119.711 1.744 18518 12225 1 19 . 1 1 21 21 ARG HA H 21 3.814 3.814 3.955 -0.141 18518 12226 1 19 . 1 1 21 21 ARG C C 21 180.120 180.120 178.690 1.430 18518 12227 1 19 . 1 1 21 21 ARG CA C 21 59.830 59.830 58.920 0.910 18518 12228 1 19 . 1 1 21 21 ARG CB C 21 29.946 29.946 28.966 0.980 18518 12229 1 19 . 1 1 21 21 ARG H H 21 8.098 8.098 7.965 0.134 18518 12230 1 19 . 1 1 22 22 LEU N N 22 117.826 117.826 120.622 -2.796 18518 12231 1 19 . 1 1 22 22 LEU HA H 22 4.049 4.049 3.927 0.122 18518 12232 1 19 . 1 1 22 22 LEU C C 22 180.115 180.115 179.247 0.868 18518 12233 1 19 . 1 1 22 22 LEU CA C 22 57.790 57.790 58.056 -0.266 18518 12234 1 19 . 1 1 22 22 LEU CB C 22 42.142 42.142 41.758 0.384 18518 12235 1 19 . 1 1 22 22 LEU H H 22 8.207 8.207 8.162 0.045 18518 12236 1 19 . 1 1 23 23 ILE N N 23 121.450 121.450 118.588 2.862 18518 12237 1 19 . 1 1 23 23 ILE HA H 23 4.013 4.013 3.825 0.188 18518 12238 1 19 . 1 1 23 23 ILE C C 23 178.149 178.149 178.546 -0.397 18518 12239 1 19 . 1 1 23 23 ILE CA C 23 62.171 62.171 63.899 -1.728 18518 12240 1 19 . 1 1 23 23 ILE CB C 23 38.106 38.106 36.765 1.341 18518 12241 1 19 . 1 1 23 23 ILE H H 23 8.105 8.105 7.992 0.113 18518 12242 1 19 . 1 1 24 24 ARG N N 24 121.139 121.139 119.230 1.909 18518 12243 1 19 . 1 1 24 24 ARG HA H 24 3.987 3.987 4.250 -0.263 18518 12244 1 19 . 1 1 24 24 ARG C C 24 178.702 178.702 179.165 -0.463 18518 12245 1 19 . 1 1 24 24 ARG CA C 24 57.718 57.718 59.281 -1.562 18518 12246 1 19 . 1 1 24 24 ARG CB C 24 28.769 28.769 29.746 -0.977 18518 12247 1 19 . 1 1 24 24 ARG H H 24 8.601 8.601 8.487 0.114 18518 12248 1 19 . 1 1 25 25 GLU N N 25 118.054 118.054 119.479 -1.425 18518 12249 1 19 . 1 1 25 25 GLU HA H 25 4.026 4.026 4.201 -0.175 18518 12250 1 19 . 1 1 25 25 GLU C C 25 178.492 178.492 178.808 -0.316 18518 12251 1 19 . 1 1 25 25 GLU CA C 25 58.780 58.780 58.765 0.015 18518 12252 1 19 . 1 1 25 25 GLU CB C 25 30.001 30.001 29.259 0.743 18518 12253 1 19 . 1 1 25 25 GLU H H 25 7.423 7.423 7.810 -0.387 18518 12254 1 19 . 1 1 26 26 GLN N N 26 116.350 116.350 117.687 -1.337 18518 12255 1 19 . 1 1 26 26 GLN HA H 26 3.936 3.936 4.082 -0.146 18518 12256 1 19 . 1 1 26 26 GLN C C 26 176.305 176.305 177.145 -0.840 18518 12257 1 19 . 1 1 26 26 GLN CA C 26 57.503 57.503 57.532 -0.029 18518 12258 1 19 . 1 1 26 26 GLN CB C 26 30.207 30.207 29.699 0.508 18518 12259 1 19 . 1 1 26 26 GLN H H 26 7.524 7.524 7.736 -0.212 18518 12260 1 19 . 1 1 27 27 HIS N N 27 116.017 116.017 119.713 -3.696 18518 12261 1 19 . 1 1 27 27 HIS HA H 27 4.930 4.930 5.044 -0.114 18518 12262 1 19 . 1 1 27 27 HIS CA C 27 53.054 53.054 53.633 -0.579 18518 12263 1 19 . 1 1 27 27 HIS CB C 27 30.747 30.747 29.849 0.898 18518 12264 1 19 . 1 1 27 27 HIS H H 27 8.284 8.284 8.328 -0.044 18518 12265 1 19 . 1 1 28 28 PRO HA H 28 4.581 4.581 4.667 -0.086 18518 12266 1 19 . 1 1 28 28 PRO CA C 28 64.919 64.919 64.618 0.301 18518 12267 1 19 . 1 1 28 28 PRO CB C 28 32.455 32.455 32.425 0.030 18518 12268 1 19 . 1 1 29 29 THR N N 29 107.011 107.011 108.306 -1.295 18518 12269 1 19 . 1 1 29 29 THR HA H 29 4.599 4.599 4.341 0.258 18518 12270 1 19 . 1 1 29 29 THR C C 29 172.884 172.884 173.884 -1.000 18518 12271 1 19 . 1 1 29 29 THR CA C 29 60.810 60.810 61.285 -0.475 18518 12272 1 19 . 1 1 29 29 THR CB C 29 68.531 68.531 68.285 0.245 18518 12273 1 19 . 1 1 29 29 THR H H 29 7.890 7.890 8.280 -0.390 18518 12274 1 19 . 1 1 30 30 LYS N N 30 117.679 117.679 122.332 -4.653 18518 12275 1 19 . 1 1 30 30 LYS HA H 30 4.858 4.858 4.944 -0.086 18518 12276 1 19 . 1 1 30 30 LYS C C 30 174.310 174.310 175.101 -0.791 18518 12277 1 19 . 1 1 30 30 LYS CA C 30 53.751 53.751 53.787 -0.036 18518 12278 1 19 . 1 1 30 30 LYS CB C 30 35.804 35.804 34.743 1.061 18518 12279 1 19 . 1 1 30 30 LYS H H 30 7.441 7.441 7.526 -0.085 18518 12280 1 19 . 1 1 31 31 ILE N N 31 122.849 122.849 123.760 -0.911 18518 12281 1 19 . 1 1 31 31 ILE HA H 31 4.105 4.105 4.193 -0.088 18518 12282 1 19 . 1 1 31 31 ILE CA C 31 54.801 54.801 56.194 -1.393 18518 12283 1 19 . 1 1 31 31 ILE CB C 31 38.265 38.265 37.555 0.710 18518 12284 1 19 . 1 1 31 31 ILE H H 31 9.304 9.304 8.849 0.455 18518 12285 1 19 . 1 1 32 32 PRO HA H 32 5.159 5.159 4.870 0.289 18518 12286 1 19 . 1 1 32 32 PRO C C 32 174.164 174.164 175.900 -1.736 18518 12287 1 19 . 1 1 32 32 PRO CA C 32 61.503 61.503 62.195 -0.692 18518 12288 1 19 . 1 1 32 32 PRO CB C 32 31.145 31.145 30.875 0.271 18518 12289 1 19 . 1 1 33 33 VAL N N 33 125.606 125.606 125.254 0.352 18518 12290 1 19 . 1 1 33 33 VAL HA H 33 5.213 5.213 5.110 0.103 18518 12291 1 19 . 1 1 33 33 VAL C C 33 173.654 173.654 173.784 -0.130 18518 12292 1 19 . 1 1 33 33 VAL CA C 33 60.044 60.044 58.947 1.097 18518 12293 1 19 . 1 1 33 33 VAL CB C 33 35.604 35.604 35.923 -0.319 18518 12294 1 19 . 1 1 33 33 VAL H H 33 9.424 9.424 8.779 0.645 18518 12295 1 19 . 1 1 34 34 ILE N N 34 128.241 128.241 126.255 1.986 18518 12296 1 19 . 1 1 34 34 ILE HA H 34 4.833 4.833 4.795 0.038 18518 12297 1 19 . 1 1 34 34 ILE C C 34 175.605 175.605 175.048 0.557 18518 12298 1 19 . 1 1 34 34 ILE CA C 34 56.765 56.765 58.063 -1.298 18518 12299 1 19 . 1 1 34 34 ILE CB C 34 36.799 36.799 38.260 -1.461 18518 12300 1 19 . 1 1 34 34 ILE H H 34 8.721 8.721 8.984 -0.263 18518 12301 1 19 . 1 1 35 35 ILE N N 35 125.650 125.650 127.940 -2.290 18518 12302 1 19 . 1 1 35 35 ILE HA H 35 4.836 4.836 4.910 -0.074 18518 12303 1 19 . 1 1 35 35 ILE C C 35 174.887 174.887 175.016 -0.129 18518 12304 1 19 . 1 1 35 35 ILE CA C 35 60.945 60.945 60.310 0.635 18518 12305 1 19 . 1 1 35 35 ILE CB C 35 39.210 39.210 38.614 0.596 18518 12306 1 19 . 1 1 35 35 ILE H H 35 9.034 9.034 9.116 -0.082 18518 12307 1 19 . 1 1 36 36 GLU N N 36 122.657 122.657 125.990 -3.333 18518 12308 1 19 . 1 1 36 36 GLU HA H 36 4.861 4.861 4.963 -0.102 18518 12309 1 19 . 1 1 36 36 GLU C C 36 173.848 173.848 174.627 -0.779 18518 12310 1 19 . 1 1 36 36 GLU CA C 36 53.932 53.932 53.758 0.174 18518 12311 1 19 . 1 1 36 36 GLU CB C 36 35.282 35.282 34.038 1.244 18518 12312 1 19 . 1 1 36 36 GLU H H 36 8.303 8.303 8.589 -0.286 18518 12313 1 19 . 1 1 37 37 ARG N N 37 123.228 123.228 122.692 0.536 18518 12314 1 19 . 1 1 37 37 ARG HA H 37 2.726 2.726 3.578 -0.852 18518 12315 1 19 . 1 1 37 37 ARG C C 37 176.359 176.359 175.733 0.626 18518 12316 1 19 . 1 1 37 37 ARG CA C 37 56.359 56.359 55.538 0.821 18518 12317 1 19 . 1 1 37 37 ARG CB C 37 31.341 31.341 30.827 0.514 18518 12318 1 19 . 1 1 37 37 ARG H H 37 8.856 8.856 8.574 0.282 18518 12319 1 19 . 1 1 38 38 TYR N N 38 128.981 128.981 128.511 0.470 18518 12320 1 19 . 1 1 38 38 TYR HA H 38 4.352 4.352 4.280 0.072 18518 12321 1 19 . 1 1 38 38 TYR C C 38 177.316 177.316 177.112 0.204 18518 12322 1 19 . 1 1 38 38 TYR CA C 38 57.712 57.712 57.974 -0.262 18518 12323 1 19 . 1 1 38 38 TYR CB C 38 39.472 39.472 39.950 -0.478 18518 12324 1 19 . 1 1 38 38 TYR H H 38 8.628 8.628 8.393 0.235 18518 12325 1 19 . 1 1 39 39 LYS N N 39 130.635 130.635 127.102 3.533 18518 12326 1 19 . 1 1 39 39 LYS HA H 39 3.822 3.822 3.759 0.063 18518 12327 1 19 . 1 1 39 39 LYS CA C 39 58.887 58.887 57.932 0.955 18518 12328 1 19 . 1 1 39 39 LYS CB C 39 31.771 31.771 31.567 0.204 18518 12329 1 19 . 1 1 39 39 LYS H H 39 8.594 8.594 8.075 0.519 18518 12330 1 19 . 1 1 40 40 GLY C C 40 173.447 173.447 174.483 -1.036 18518 12331 1 19 . 1 1 40 40 GLY CA C 40 44.663 44.663 44.599 0.064 18518 12332 1 19 . 1 1 40 40 GLY H H 40 5.188 5.188 6.212 -1.024 18518 12333 1 19 . 1 1 41 41 GLU N N 41 122.836 122.836 120.990 1.846 18518 12334 1 19 . 1 1 41 41 GLU HA H 41 4.257 4.257 4.255 0.002 18518 12335 1 19 . 1 1 41 41 GLU C C 41 176.524 176.524 176.215 0.309 18518 12336 1 19 . 1 1 41 41 GLU CA C 41 56.525 56.525 56.612 -0.087 18518 12337 1 19 . 1 1 41 41 GLU CB C 41 30.985 30.985 29.645 1.341 18518 12338 1 19 . 1 1 41 41 GLU H H 41 7.380 7.380 7.468 -0.088 18518 12339 1 19 . 1 1 42 42 LYS N N 42 124.040 124.040 125.612 -1.572 18518 12340 1 19 . 1 1 42 42 LYS HA H 42 4.675 4.675 4.471 0.204 18518 12341 1 19 . 1 1 42 42 LYS C C 42 177.538 177.538 176.972 0.566 18518 12342 1 19 . 1 1 42 42 LYS CA C 42 55.840 55.840 56.755 -0.916 18518 12343 1 19 . 1 1 42 42 LYS CB C 42 34.979 34.979 32.984 1.995 18518 12344 1 19 . 1 1 42 42 LYS H H 42 9.034 9.034 8.497 0.537 18518 12345 1 19 . 1 1 43 43 GLN N N 43 119.259 119.259 118.466 0.793 18518 12346 1 19 . 1 1 43 43 GLN HA H 43 4.542 4.542 4.402 0.140 18518 12347 1 19 . 1 1 43 43 GLN C C 43 177.336 177.336 176.445 0.891 18518 12348 1 19 . 1 1 43 43 GLN CA C 43 57.673 57.673 56.648 1.025 18518 12349 1 19 . 1 1 43 43 GLN CB C 43 30.782 30.782 30.054 0.728 18518 12350 1 19 . 1 1 43 43 GLN H H 43 8.435 8.435 8.923 -0.488 18518 12351 1 19 . 1 1 44 44 LEU N N 44 120.760 120.760 123.723 -2.963 18518 12352 1 19 . 1 1 44 44 LEU HA H 44 4.695 4.695 4.647 0.048 18518 12353 1 19 . 1 1 44 44 LEU CA C 44 53.245 53.245 52.857 0.388 18518 12354 1 19 . 1 1 44 44 LEU CB C 44 43.596 43.596 41.909 1.687 18518 12355 1 19 . 1 1 44 44 LEU H H 44 9.126 9.126 8.460 0.666 18518 12356 1 19 . 1 1 45 45 PRO HA H 45 4.717 4.717 4.635 0.082 18518 12357 1 19 . 1 1 45 45 PRO C C 45 175.797 175.797 176.741 -0.944 18518 12358 1 19 . 1 1 45 45 PRO CA C 45 62.111 62.111 62.352 -0.242 18518 12359 1 19 . 1 1 45 45 PRO CB C 45 32.592 32.592 32.378 0.214 18518 12360 1 19 . 1 1 46 46 VAL N N 46 119.052 119.052 121.512 -2.460 18518 12361 1 19 . 1 1 46 46 VAL HA H 46 3.867 3.867 4.123 -0.256 18518 12362 1 19 . 1 1 46 46 VAL C C 46 175.640 175.640 176.349 -0.709 18518 12363 1 19 . 1 1 46 46 VAL CA C 46 62.944 62.944 62.306 0.638 18518 12364 1 19 . 1 1 46 46 VAL CB C 46 32.799 32.799 33.026 -0.227 18518 12365 1 19 . 1 1 46 46 VAL H H 46 8.543 8.543 8.322 0.221 18518 12366 1 19 . 1 1 47 47 LEU N N 47 130.203 130.203 123.357 6.846 18518 12367 1 19 . 1 1 47 47 LEU HA H 47 4.309 4.309 4.687 -0.378 18518 12368 1 19 . 1 1 47 47 LEU C C 47 176.198 176.198 176.916 -0.718 18518 12369 1 19 . 1 1 47 47 LEU CA C 47 55.006 55.006 54.152 0.854 18518 12370 1 19 . 1 1 47 47 LEU CB C 47 43.832 43.832 43.837 -0.006 18518 12371 1 19 . 1 1 47 47 LEU H H 47 7.799 7.799 8.544 -0.745 18518 12372 1 19 . 1 1 48 48 ASP N N 48 122.403 122.403 122.350 0.053 18518 12373 1 19 . 1 1 48 48 ASP HA H 48 4.263 4.263 4.517 -0.254 18518 12374 1 19 . 1 1 48 48 ASP C C 48 175.294 175.294 175.196 0.098 18518 12375 1 19 . 1 1 48 48 ASP CA C 48 55.832 55.832 55.967 -0.135 18518 12376 1 19 . 1 1 48 48 ASP CB C 48 40.184 40.184 41.145 -0.961 18518 12377 1 19 . 1 1 48 48 ASP H H 48 8.780 8.780 8.771 0.009 18518 12378 1 19 . 1 1 49 49 LYS N N 49 119.569 119.569 115.689 3.880 18518 12379 1 19 . 1 1 49 49 LYS HA H 49 4.585 4.585 4.569 0.016 18518 12380 1 19 . 1 1 49 49 LYS C C 49 174.678 174.678 175.497 -0.819 18518 12381 1 19 . 1 1 49 49 LYS CA C 49 53.652 53.652 55.261 -1.609 18518 12382 1 19 . 1 1 49 49 LYS CB C 49 35.945 35.945 35.146 0.799 18518 12383 1 19 . 1 1 49 49 LYS H H 49 7.280 7.280 7.543 -0.263 18518 12384 1 19 . 1 1 50 50 THR N N 50 110.862 110.862 111.891 -1.029 18518 12385 1 19 . 1 1 50 50 THR HA H 50 4.811 4.811 4.929 -0.118 18518 12386 1 19 . 1 1 50 50 THR C C 50 172.425 172.425 174.382 -1.957 18518 12387 1 19 . 1 1 50 50 THR CA C 50 62.645 62.645 63.165 -0.520 18518 12388 1 19 . 1 1 50 50 THR CB C 50 71.648 71.648 70.287 1.361 18518 12389 1 19 . 1 1 50 50 THR H H 50 8.042 8.042 8.186 -0.144 18518 12390 1 19 . 1 1 51 51 LYS N N 51 120.008 120.008 123.027 -3.019 18518 12391 1 19 . 1 1 51 51 LYS HA H 51 4.625 4.625 4.494 0.131 18518 12392 1 19 . 1 1 51 51 LYS C C 51 175.082 175.082 175.937 -0.855 18518 12393 1 19 . 1 1 51 51 LYS CA C 51 54.704 54.704 57.072 -2.368 18518 12394 1 19 . 1 1 51 51 LYS CB C 51 32.376 32.376 32.431 -0.055 18518 12395 1 19 . 1 1 51 51 LYS H H 51 7.119 7.119 7.837 -0.718 18518 12396 1 19 . 1 1 52 52 PHE N N 52 122.640 122.640 124.847 -2.207 18518 12397 1 19 . 1 1 52 52 PHE HA H 52 5.337 5.337 4.747 0.590 18518 12398 1 19 . 1 1 52 52 PHE C C 52 174.213 174.213 173.945 0.268 18518 12399 1 19 . 1 1 52 52 PHE CA C 52 56.611 56.611 56.963 -0.352 18518 12400 1 19 . 1 1 52 52 PHE CB C 52 43.140 43.140 43.265 -0.125 18518 12401 1 19 . 1 1 52 52 PHE H H 52 9.709 9.709 9.177 0.532 18518 12402 1 19 . 1 1 53 53 LEU N N 53 122.157 122.157 123.358 -1.201 18518 12403 1 19 . 1 1 53 53 LEU HA H 53 4.947 4.947 4.976 -0.029 18518 12404 1 19 . 1 1 53 53 LEU C C 53 175.769 175.769 175.532 0.237 18518 12405 1 19 . 1 1 53 53 LEU CA C 53 52.957 52.957 53.553 -0.596 18518 12406 1 19 . 1 1 53 53 LEU CB C 53 44.415 44.415 44.239 0.176 18518 12407 1 19 . 1 1 53 53 LEU H H 53 8.959 8.959 8.484 0.475 18518 12408 1 19 . 1 1 54 54 VAL N N 54 124.919 124.919 124.570 0.349 18518 12409 1 19 . 1 1 54 54 VAL HA H 54 4.559 4.559 4.600 -0.041 18518 12410 1 19 . 1 1 54 54 VAL CA C 54 59.130 59.130 58.165 0.965 18518 12411 1 19 . 1 1 54 54 VAL CB C 54 34.968 34.968 33.666 1.302 18518 12412 1 19 . 1 1 54 54 VAL H H 54 8.922 8.922 8.466 0.456 18518 12413 1 19 . 1 1 55 55 PRO HA H 55 4.441 4.441 4.980 -0.539 18518 12414 1 19 . 1 1 55 55 PRO C C 55 176.594 176.594 178.054 -1.460 18518 12415 1 19 . 1 1 55 55 PRO CA C 55 64.315 64.315 62.075 2.240 18518 12416 1 19 . 1 1 55 55 PRO CB C 55 32.665 32.665 32.444 0.221 18518 12417 1 19 . 1 1 56 56 ASP N N 56 120.522 120.522 122.663 -2.141 18518 12418 1 19 . 1 1 56 56 ASP HA H 56 3.862 3.862 4.233 -0.371 18518 12419 1 19 . 1 1 56 56 ASP C C 56 175.809 175.809 176.400 -0.591 18518 12420 1 19 . 1 1 56 56 ASP CA C 56 56.749 56.749 56.380 0.369 18518 12421 1 19 . 1 1 56 56 ASP CB C 56 40.510 40.510 40.358 0.152 18518 12422 1 19 . 1 1 56 56 ASP H H 56 8.347 8.347 8.802 -0.455 18518 12423 1 19 . 1 1 57 57 HIS N N 57 113.482 113.482 116.028 -2.546 18518 12424 1 19 . 1 1 57 57 HIS HA H 57 4.720 4.720 4.546 0.174 18518 12425 1 19 . 1 1 57 57 HIS C C 57 176.507 176.507 174.686 1.821 18518 12426 1 19 . 1 1 57 57 HIS CA C 57 55.589 55.589 56.562 -0.973 18518 12427 1 19 . 1 1 57 57 HIS CB C 57 30.643 30.643 30.163 0.480 18518 12428 1 19 . 1 1 57 57 HIS H H 57 7.557 7.557 8.072 -0.515 18518 12429 1 19 . 1 1 58 58 VAL N N 58 123.279 123.279 121.103 2.176 18518 12430 1 19 . 1 1 58 58 VAL HA H 58 3.836 3.836 4.194 -0.358 18518 12431 1 19 . 1 1 58 58 VAL C C 58 175.019 175.019 174.304 0.715 18518 12432 1 19 . 1 1 58 58 VAL CA C 58 62.823 62.823 60.490 2.333 18518 12433 1 19 . 1 1 58 58 VAL CB C 58 32.310 32.310 34.447 -2.137 18518 12434 1 19 . 1 1 58 58 VAL H H 58 7.345 7.345 7.316 0.029 18518 12435 1 19 . 1 1 59 59 ASN N N 59 123.781 123.781 121.826 1.955 18518 12436 1 19 . 1 1 59 59 ASN HA H 59 5.126 5.126 4.914 0.212 18518 12437 1 19 . 1 1 59 59 ASN C C 59 176.558 176.558 176.167 0.391 18518 12438 1 19 . 1 1 59 59 ASN CA C 59 51.485 51.485 51.974 -0.489 18518 12439 1 19 . 1 1 59 59 ASN CB C 59 40.107 40.107 40.173 -0.066 18518 12440 1 19 . 1 1 59 59 ASN H H 59 8.735 8.735 8.316 0.419 18518 12441 1 19 . 1 1 60 60 MET N N 60 117.453 117.453 117.912 -0.459 18518 12442 1 19 . 1 1 60 60 MET HA H 60 4.395 4.395 4.143 0.252 18518 12443 1 19 . 1 1 60 60 MET C C 60 178.144 178.144 178.058 0.086 18518 12444 1 19 . 1 1 60 60 MET CA C 60 57.097 57.097 57.820 -0.723 18518 12445 1 19 . 1 1 60 60 MET CB C 60 30.140 30.140 30.936 -0.796 18518 12446 1 19 . 1 1 60 60 MET H H 60 8.227 8.227 8.652 -0.425 18518 12447 1 19 . 1 1 61 61 SER N N 61 114.216 114.216 115.982 -1.766 18518 12448 1 19 . 1 1 61 61 SER HA H 61 4.111 4.111 4.139 -0.028 18518 12449 1 19 . 1 1 61 61 SER C C 61 177.335 177.335 177.012 0.323 18518 12450 1 19 . 1 1 61 61 SER CA C 61 61.590 61.590 62.311 -0.721 18518 12451 1 19 . 1 1 61 61 SER CB C 61 62.402 62.402 62.754 -0.352 18518 12452 1 19 . 1 1 61 61 SER H H 61 8.464 8.464 8.184 0.280 18518 12453 1 19 . 1 1 62 62 GLU N N 62 123.004 123.004 121.414 1.590 18518 12454 1 19 . 1 1 62 62 GLU HA H 62 4.047 4.047 4.128 -0.081 18518 12455 1 19 . 1 1 62 62 GLU C C 62 178.686 178.686 178.763 -0.077 18518 12456 1 19 . 1 1 62 62 GLU CA C 62 58.625 58.625 58.679 -0.054 18518 12457 1 19 . 1 1 62 62 GLU CB C 62 29.654 29.654 29.283 0.371 18518 12458 1 19 . 1 1 62 62 GLU H H 62 7.994 7.994 7.857 0.137 18518 12459 1 19 . 1 1 63 63 LEU N N 63 120.818 120.818 121.803 -0.985 18518 12460 1 19 . 1 1 63 63 LEU HA H 63 3.965 3.965 3.990 -0.025 18518 12461 1 19 . 1 1 63 63 LEU C C 63 178.046 178.046 178.798 -0.752 18518 12462 1 19 . 1 1 63 63 LEU CA C 63 57.920 57.920 58.100 -0.180 18518 12463 1 19 . 1 1 63 63 LEU CB C 63 41.624 41.624 41.342 0.282 18518 12464 1 19 . 1 1 63 63 LEU H H 63 8.130 8.130 7.778 0.352 18518 12465 1 19 . 1 1 64 64 ILE N N 64 118.528 118.528 119.439 -0.911 18518 12466 1 19 . 1 1 64 64 ILE HA H 64 3.369 3.369 3.569 -0.200 18518 12467 1 19 . 1 1 64 64 ILE C C 64 177.127 177.127 177.641 -0.514 18518 12468 1 19 . 1 1 64 64 ILE CA C 64 66.678 66.678 65.790 0.888 18518 12469 1 19 . 1 1 64 64 ILE CB C 64 38.444 38.444 37.733 0.711 18518 12470 1 19 . 1 1 64 64 ILE H H 64 8.488 8.488 8.544 -0.056 18518 12471 1 19 . 1 1 65 65 LYS N N 65 118.336 118.336 120.937 -2.601 18518 12472 1 19 . 1 1 65 65 LYS HA H 65 3.701 3.701 3.969 -0.268 18518 12473 1 19 . 1 1 65 65 LYS C C 65 179.291 179.291 179.208 0.083 18518 12474 1 19 . 1 1 65 65 LYS CA C 65 60.440 60.440 59.681 0.759 18518 12475 1 19 . 1 1 65 65 LYS CB C 65 32.371 32.371 32.165 0.206 18518 12476 1 19 . 1 1 65 65 LYS H H 65 7.347 7.347 7.692 -0.345 18518 12477 1 19 . 1 1 66 66 ILE N N 66 120.171 120.171 120.232 -0.061 18518 12478 1 19 . 1 1 66 66 ILE HA H 66 3.578 3.578 3.696 -0.118 18518 12479 1 19 . 1 1 66 66 ILE C C 66 178.873 178.873 178.156 0.717 18518 12480 1 19 . 1 1 66 66 ILE CA C 66 65.160 65.160 65.419 -0.259 18518 12481 1 19 . 1 1 66 66 ILE CB C 66 38.633 38.633 37.879 0.754 18518 12482 1 19 . 1 1 66 66 ILE H H 66 7.901 7.901 8.320 -0.419 18518 12483 1 19 . 1 1 67 67 ILE N N 67 121.185 121.185 121.212 -0.027 18518 12484 1 19 . 1 1 67 67 ILE HA H 67 3.446 3.446 3.419 0.027 18518 12485 1 19 . 1 1 67 67 ILE C C 67 177.150 177.150 177.613 -0.463 18518 12486 1 19 . 1 1 67 67 ILE CA C 67 62.806 62.806 64.912 -2.106 18518 12487 1 19 . 1 1 67 67 ILE CB C 67 34.995 34.995 37.369 -2.374 18518 12488 1 19 . 1 1 67 67 ILE H H 67 8.290 8.290 8.041 0.249 18518 12489 1 19 . 1 1 68 68 ARG N N 68 119.173 119.173 118.655 0.518 18518 12490 1 19 . 1 1 68 68 ARG HA H 68 2.931 2.931 3.728 -0.797 18518 12491 1 19 . 1 1 68 68 ARG C C 68 178.496 178.496 178.673 -0.177 18518 12492 1 19 . 1 1 68 68 ARG CA C 68 60.636 60.636 59.525 1.111 18518 12493 1 19 . 1 1 68 68 ARG CB C 68 30.440 30.440 29.800 0.640 18518 12494 1 19 . 1 1 68 68 ARG H H 68 8.438 8.438 8.482 -0.044 18518 12495 1 19 . 1 1 69 69 ARG N N 69 116.511 116.511 120.493 -3.982 18518 12496 1 19 . 1 1 69 69 ARG HA H 69 4.134 4.134 4.042 0.092 18518 12497 1 19 . 1 1 69 69 ARG C C 69 180.262 180.262 178.623 1.639 18518 12498 1 19 . 1 1 69 69 ARG CA C 69 58.707 58.707 58.702 0.005 18518 12499 1 19 . 1 1 69 69 ARG CB C 69 29.953 29.953 29.894 0.059 18518 12500 1 19 . 1 1 69 69 ARG H H 69 7.497 7.497 8.279 -0.782 18518 12501 1 19 . 1 1 70 70 ARG N N 70 123.297 123.297 118.328 4.969 18518 12502 1 19 . 1 1 70 70 ARG HA H 70 4.016 4.016 4.106 -0.090 18518 12503 1 19 . 1 1 70 70 ARG C C 70 178.700 178.700 178.469 0.231 18518 12504 1 19 . 1 1 70 70 ARG CA C 70 59.460 59.460 58.563 0.897 18518 12505 1 19 . 1 1 70 70 ARG CB C 70 30.312 30.312 29.580 0.732 18518 12506 1 19 . 1 1 70 70 ARG H H 70 8.075 8.075 7.889 0.186 18518 12507 1 19 . 1 1 71 71 LEU N N 71 116.829 116.829 119.180 -2.351 18518 12508 1 19 . 1 1 71 71 LEU HA H 71 4.065 4.065 4.129 -0.064 18518 12509 1 19 . 1 1 71 71 LEU C C 71 174.956 174.956 176.159 -1.203 18518 12510 1 19 . 1 1 71 71 LEU CA C 71 55.126 55.126 56.066 -0.940 18518 12511 1 19 . 1 1 71 71 LEU CB C 71 43.246 43.246 42.627 0.619 18518 12512 1 19 . 1 1 71 71 LEU H H 71 7.719 7.719 7.678 0.041 18518 12513 1 19 . 1 1 72 72 GLN N N 72 114.991 114.991 114.389 0.602 18518 12514 1 19 . 1 1 72 72 GLN HA H 72 3.836 3.836 3.968 -0.132 18518 12515 1 19 . 1 1 72 72 GLN C C 72 175.683 175.683 174.879 0.804 18518 12516 1 19 . 1 1 72 72 GLN CA C 72 56.325 56.325 55.752 0.573 18518 12517 1 19 . 1 1 72 72 GLN CB C 72 26.004 26.004 25.527 0.476 18518 12518 1 19 . 1 1 72 72 GLN H H 72 7.744 7.744 7.633 0.111 18518 12519 1 19 . 1 1 73 73 LEU N N 73 115.045 115.045 120.583 -5.538 18518 12520 1 19 . 1 1 73 73 LEU HA H 73 4.236 4.236 4.113 0.123 18518 12521 1 19 . 1 1 73 73 LEU C C 73 178.762 178.762 176.690 2.072 18518 12522 1 19 . 1 1 73 73 LEU CA C 73 54.386 54.386 54.778 -0.392 18518 12523 1 19 . 1 1 73 73 LEU CB C 73 42.091 42.091 41.986 0.105 18518 12524 1 19 . 1 1 73 73 LEU H H 73 7.500 7.500 7.795 -0.295 18518 12525 1 19 . 1 1 74 74 ASN N N 74 121.700 121.700 123.833 -2.133 18518 12526 1 19 . 1 1 74 74 ASN HA H 74 4.690 4.690 4.485 0.205 18518 12527 1 19 . 1 1 74 74 ASN C C 74 176.617 176.617 176.081 0.536 18518 12528 1 19 . 1 1 74 74 ASN CA C 74 52.685 52.685 53.980 -1.295 18518 12529 1 19 . 1 1 74 74 ASN CB C 74 39.598 39.598 39.917 -0.319 18518 12530 1 19 . 1 1 74 74 ASN H H 74 9.045 9.045 8.607 0.438 18518 12531 1 19 . 1 1 75 75 ALA N N 75 123.952 123.952 121.541 2.411 18518 12532 1 19 . 1 1 75 75 ALA HA H 75 3.964 3.964 4.405 -0.441 18518 12533 1 19 . 1 1 75 75 ALA C C 75 178.131 178.131 178.035 0.096 18518 12534 1 19 . 1 1 75 75 ALA CA C 75 54.868 54.868 53.282 1.586 18518 12535 1 19 . 1 1 75 75 ALA CB C 75 18.718 18.718 19.558 -0.840 18518 12536 1 19 . 1 1 75 75 ALA H H 75 8.784 8.784 8.470 0.314 18518 12537 1 19 . 1 1 76 76 ASN N N 76 112.295 112.295 116.358 -4.063 18518 12538 1 19 . 1 1 76 76 ASN HA H 76 4.580 4.580 4.661 -0.081 18518 12539 1 19 . 1 1 76 76 ASN C C 76 175.448 175.448 175.428 0.020 18518 12540 1 19 . 1 1 76 76 ASN CA C 76 53.214 53.214 53.721 -0.507 18518 12541 1 19 . 1 1 76 76 ASN CB C 76 38.320 38.320 39.138 -0.818 18518 12542 1 19 . 1 1 76 76 ASN H H 76 8.391 8.391 8.586 -0.195 18518 12543 1 19 . 1 1 77 77 GLN N N 77 120.577 120.577 118.571 2.006 18518 12544 1 19 . 1 1 77 77 GLN HA H 77 4.273 4.273 4.745 -0.472 18518 12545 1 19 . 1 1 77 77 GLN C C 77 175.045 175.045 173.422 1.623 18518 12546 1 19 . 1 1 77 77 GLN CA C 77 55.805 55.805 54.987 0.818 18518 12547 1 19 . 1 1 77 77 GLN CB C 77 30.157 30.157 31.912 -1.755 18518 12548 1 19 . 1 1 77 77 GLN H H 77 7.552 7.552 7.515 0.037 18518 12549 1 19 . 1 1 78 78 ALA N N 78 130.670 130.670 122.922 7.748 18518 12550 1 19 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.674 -0.503 18518 12551 1 19 . 1 1 78 78 ALA C C 78 176.512 176.512 175.280 1.232 18518 12552 1 19 . 1 1 78 78 ALA CA C 78 52.842 52.842 51.105 1.737 18518 12553 1 19 . 1 1 78 78 ALA CB C 78 20.060 20.060 21.626 -1.566 18518 12554 1 19 . 1 1 78 78 ALA H H 78 8.799 8.799 8.721 0.078 18518 12555 1 19 . 1 1 79 79 PHE N N 79 119.325 119.325 116.943 2.382 18518 12556 1 19 . 1 1 79 79 PHE HA H 79 4.434 4.434 5.213 -0.779 18518 12557 1 19 . 1 1 79 79 PHE C C 79 171.726 171.726 173.001 -1.275 18518 12558 1 19 . 1 1 79 79 PHE CA C 79 59.145 59.145 55.366 3.779 18518 12559 1 19 . 1 1 79 79 PHE CB C 79 42.171 42.171 42.011 0.161 18518 12560 1 19 . 1 1 79 79 PHE H H 79 7.664 7.664 8.211 -0.547 18518 12561 1 19 . 1 1 80 80 PHE N N 80 126.314 126.314 117.964 8.350 18518 12562 1 19 . 1 1 80 80 PHE HA H 80 4.392 4.392 4.184 0.208 18518 12563 1 19 . 1 1 80 80 PHE C C 80 177.169 177.169 173.144 4.025 18518 12564 1 19 . 1 1 80 80 PHE CA C 80 56.653 56.653 56.317 0.336 18518 12565 1 19 . 1 1 80 80 PHE CB C 80 41.933 41.933 42.904 -0.971 18518 12566 1 19 . 1 1 80 80 PHE H H 80 8.508 8.508 8.951 -0.443 18518 12567 1 19 . 1 1 81 81 LEU N N 81 121.426 121.426 122.145 -0.719 18518 12568 1 19 . 1 1 81 81 LEU HA H 81 4.851 4.851 5.243 -0.392 18518 12569 1 19 . 1 1 81 81 LEU C C 81 174.488 174.488 175.001 -0.513 18518 12570 1 19 . 1 1 81 81 LEU CA C 81 53.197 53.197 53.976 -0.779 18518 12571 1 19 . 1 1 81 81 LEU CB C 81 45.100 45.100 44.600 0.500 18518 12572 1 19 . 1 1 81 81 LEU H H 81 8.229 8.229 8.551 -0.322 18518 12573 1 19 . 1 1 82 82 LEU N N 82 125.155 125.155 127.555 -2.400 18518 12574 1 19 . 1 1 82 82 LEU HA H 82 4.833 4.833 4.597 0.236 18518 12575 1 19 . 1 1 82 82 LEU C C 82 177.166 177.166 175.558 1.608 18518 12576 1 19 . 1 1 82 82 LEU CA C 82 54.197 54.197 53.945 0.252 18518 12577 1 19 . 1 1 82 82 LEU CB C 82 43.442 43.442 44.715 -1.274 18518 12578 1 19 . 1 1 82 82 LEU H H 82 9.400 9.400 9.304 0.096 18518 12579 1 19 . 1 1 83 83 VAL N N 83 123.886 123.886 119.938 3.948 18518 12580 1 19 . 1 1 83 83 VAL HA H 83 4.379 4.379 4.562 -0.183 18518 12581 1 19 . 1 1 83 83 VAL C C 83 175.810 175.810 176.149 -0.339 18518 12582 1 19 . 1 1 83 83 VAL CA C 83 61.677 61.677 61.260 0.417 18518 12583 1 19 . 1 1 83 83 VAL CB C 83 33.758 33.758 33.504 0.254 18518 12584 1 19 . 1 1 83 83 VAL H H 83 8.721 8.721 8.320 0.401 18518 12585 1 19 . 1 1 84 84 ASN N N 84 126.474 126.474 127.335 -0.861 18518 12586 1 19 . 1 1 84 84 ASN HA H 84 4.396 4.396 4.456 -0.060 18518 12587 1 19 . 1 1 84 84 ASN C C 84 175.164 175.164 175.271 -0.107 18518 12588 1 19 . 1 1 84 84 ASN CA C 84 54.738 54.738 54.633 0.105 18518 12589 1 19 . 1 1 84 84 ASN CB C 84 37.950 37.950 37.333 0.617 18518 12590 1 19 . 1 1 84 84 ASN H H 84 9.707 9.707 9.659 0.048 18518 12591 1 19 . 1 1 85 85 GLY N N 85 101.296 101.296 104.358 -3.062 18518 12592 1 19 . 1 1 85 85 GLY C C 85 173.680 173.680 173.527 0.153 18518 12593 1 19 . 1 1 85 85 GLY CA C 85 45.603 45.603 45.376 0.227 18518 12594 1 19 . 1 1 85 85 GLY H H 85 8.644 8.644 8.670 -0.026 18518 12595 1 19 . 1 1 86 86 HIS N N 86 117.238 117.238 115.793 1.445 18518 12596 1 19 . 1 1 86 86 HIS HA H 86 5.017 5.017 4.793 0.224 18518 12597 1 19 . 1 1 86 86 HIS C C 86 173.841 173.841 173.787 0.054 18518 12598 1 19 . 1 1 86 86 HIS CA C 86 53.796 53.796 52.996 0.800 18518 12599 1 19 . 1 1 86 86 HIS CB C 86 31.280 31.280 31.948 -0.668 18518 12600 1 19 . 1 1 86 86 HIS H H 86 7.918 7.918 8.175 -0.257 18518 12601 1 19 . 1 1 87 87 SER N N 87 118.179 118.179 120.176 -1.997 18518 12602 1 19 . 1 1 87 87 SER HA H 87 4.699 4.699 4.439 0.260 18518 12603 1 19 . 1 1 87 87 SER C C 87 175.904 175.904 174.313 1.591 18518 12604 1 19 . 1 1 87 87 SER CA C 87 58.271 58.271 58.189 0.082 18518 12605 1 19 . 1 1 87 87 SER CB C 87 63.735 63.735 62.151 1.584 18518 12606 1 19 . 1 1 87 87 SER H H 87 8.977 8.977 8.816 0.161 18518 12607 1 19 . 1 1 88 88 MET N N 88 125.472 125.472 122.963 2.509 18518 12608 1 19 . 1 1 88 88 MET HA H 88 4.830 4.830 4.626 0.204 18518 12609 1 19 . 1 1 88 88 MET C C 88 176.419 176.419 175.154 1.265 18518 12610 1 19 . 1 1 88 88 MET CA C 88 54.899 54.899 55.403 -0.504 18518 12611 1 19 . 1 1 88 88 MET CB C 88 33.336 33.336 33.786 -0.450 18518 12612 1 19 . 1 1 88 88 MET H H 88 9.184 9.184 7.986 1.198 18518 12613 1 19 . 1 1 89 89 VAL N N 89 120.747 120.747 122.062 -1.315 18518 12614 1 19 . 1 1 89 89 VAL HA H 89 4.232 4.232 4.207 0.025 18518 12615 1 19 . 1 1 89 89 VAL C C 89 175.958 175.958 176.046 -0.088 18518 12616 1 19 . 1 1 89 89 VAL CA C 89 63.154 63.154 61.496 1.658 18518 12617 1 19 . 1 1 89 89 VAL CB C 89 31.878 31.878 32.993 -1.115 18518 12618 1 19 . 1 1 89 89 VAL H H 89 8.233 8.233 7.548 0.685 18518 12619 1 19 . 1 1 90 90 SER N N 90 117.362 117.362 121.382 -4.020 18518 12620 1 19 . 1 1 90 90 SER HA H 90 4.590 4.590 4.595 -0.005 18518 12621 1 19 . 1 1 90 90 SER C C 90 175.741 175.741 176.000 -0.259 18518 12622 1 19 . 1 1 90 90 SER CA C 90 57.717 57.717 58.329 -0.612 18518 12623 1 19 . 1 1 90 90 SER CB C 90 63.223 63.223 63.724 -0.501 18518 12624 1 19 . 1 1 90 90 SER H H 90 8.482 8.482 8.673 -0.191 18518 12625 1 19 . 1 1 91 91 VAL N N 91 120.466 120.466 122.688 -2.222 18518 12626 1 19 . 1 1 91 91 VAL HA H 91 4.047 4.047 3.725 0.322 18518 12627 1 19 . 1 1 91 91 VAL C C 91 176.329 176.329 175.841 0.488 18518 12628 1 19 . 1 1 91 91 VAL CA C 91 63.492 63.492 64.863 -1.371 18518 12629 1 19 . 1 1 91 91 VAL CB C 91 32.568 32.568 31.738 0.830 18518 12630 1 19 . 1 1 91 91 VAL H H 91 8.188 8.188 8.591 -0.403 18518 12631 1 19 . 1 1 92 92 SER N N 92 116.398 116.398 112.850 3.548 18518 12632 1 19 . 1 1 92 92 SER HA H 92 4.636 4.636 4.468 0.168 18518 12633 1 19 . 1 1 92 92 SER C C 92 174.159 174.159 174.590 -0.431 18518 12634 1 19 . 1 1 92 92 SER CA C 92 57.805 57.805 58.501 -0.696 18518 12635 1 19 . 1 1 92 92 SER CB C 92 63.046 63.046 62.752 0.295 18518 12636 1 19 . 1 1 92 92 SER H H 92 8.370 8.370 8.120 0.250 18518 12637 1 19 . 1 1 93 93 THR N N 93 119.211 119.211 119.981 -0.770 18518 12638 1 19 . 1 1 93 93 THR HA H 93 4.484 4.484 4.636 -0.152 18518 12639 1 19 . 1 1 93 93 THR CA C 93 60.884 60.884 60.612 0.272 18518 12640 1 19 . 1 1 93 93 THR CB C 93 70.609 70.609 68.988 1.621 18518 12641 1 19 . 1 1 93 93 THR H H 93 7.416 7.416 7.661 -0.245 18518 12642 1 19 . 1 1 94 94 PRO HA H 94 4.440 4.440 4.479 -0.039 18518 12643 1 19 . 1 1 94 94 PRO C C 94 178.775 178.775 177.226 1.549 18518 12644 1 19 . 1 1 94 94 PRO CA C 94 62.943 62.943 62.572 0.371 18518 12645 1 19 . 1 1 94 94 PRO CB C 94 32.649 32.649 32.290 0.359 18518 12646 1 19 . 1 1 95 95 ILE N N 95 124.174 124.174 124.321 -0.147 18518 12647 1 19 . 1 1 95 95 ILE HA H 95 3.949 3.949 3.788 0.161 18518 12648 1 19 . 1 1 95 95 ILE C C 95 176.498 176.498 176.874 -0.376 18518 12649 1 19 . 1 1 95 95 ILE CA C 95 63.904 63.904 62.781 1.123 18518 12650 1 19 . 1 1 95 95 ILE CB C 95 38.182 38.182 38.116 0.066 18518 12651 1 19 . 1 1 95 95 ILE H H 95 9.305 9.305 7.815 1.490 18518 12652 1 19 . 1 1 96 96 SER N N 96 116.920 116.920 115.052 1.868 18518 12653 1 19 . 1 1 96 96 SER HA H 96 4.029 4.029 4.089 -0.060 18518 12654 1 19 . 1 1 96 96 SER C C 96 176.574 176.574 176.215 0.359 18518 12655 1 19 . 1 1 96 96 SER CA C 96 61.356 61.356 62.102 -0.746 18518 12656 1 19 . 1 1 96 96 SER CB C 96 61.723 61.723 62.670 -0.947 18518 12657 1 19 . 1 1 96 96 SER H H 96 8.335 8.335 8.604 -0.269 18518 12658 1 19 . 1 1 97 97 GLU N N 97 123.255 123.255 122.373 0.882 18518 12659 1 19 . 1 1 97 97 GLU HA H 97 4.278 4.278 4.171 0.107 18518 12660 1 19 . 1 1 97 97 GLU C C 97 179.716 179.716 178.856 0.860 18518 12661 1 19 . 1 1 97 97 GLU CA C 97 58.792 58.792 58.680 0.112 18518 12662 1 19 . 1 1 97 97 GLU CB C 97 29.562 29.562 29.277 0.285 18518 12663 1 19 . 1 1 97 97 GLU H H 97 7.376 7.376 7.785 -0.409 18518 12664 1 19 . 1 1 98 98 VAL N N 98 121.137 121.137 121.158 -0.021 18518 12665 1 19 . 1 1 98 98 VAL HA H 98 3.802 3.802 3.653 0.149 18518 12666 1 19 . 1 1 98 98 VAL C C 98 177.637 177.637 178.014 -0.377 18518 12667 1 19 . 1 1 98 98 VAL CA C 98 65.824 65.824 66.723 -0.899 18518 12668 1 19 . 1 1 98 98 VAL CB C 98 32.154 32.154 31.600 0.554 18518 12669 1 19 . 1 1 98 98 VAL H H 98 7.387 7.387 7.818 -0.431 18518 12670 1 19 . 1 1 99 99 TYR N N 99 118.927 118.927 121.331 -2.404 18518 12671 1 19 . 1 1 99 99 TYR HA H 99 3.990 3.990 4.007 -0.017 18518 12672 1 19 . 1 1 99 99 TYR C C 99 176.081 176.081 177.147 -1.066 18518 12673 1 19 . 1 1 99 99 TYR CA C 99 62.223 62.223 61.301 0.922 18518 12674 1 19 . 1 1 99 99 TYR CB C 99 38.982 38.982 38.420 0.561 18518 12675 1 19 . 1 1 99 99 TYR H H 99 9.048 9.048 8.458 0.590 18518 12676 1 19 . 1 1 100 100 GLU N N 100 113.894 113.894 116.363 -2.469 18518 12677 1 19 . 1 1 100 100 GLU HA H 100 3.846 3.846 3.855 -0.009 18518 12678 1 19 . 1 1 100 100 GLU C C 100 177.989 177.989 178.283 -0.294 18518 12679 1 19 . 1 1 100 100 GLU CA C 100 59.087 59.087 58.531 0.556 18518 12680 1 19 . 1 1 100 100 GLU CB C 100 29.382 29.382 29.051 0.331 18518 12681 1 19 . 1 1 100 100 GLU H H 100 7.422 7.422 8.063 -0.641 18518 12682 1 19 . 1 1 101 101 SER N N 101 108.991 108.991 113.984 -4.993 18518 12683 1 19 . 1 1 101 101 SER HA H 101 4.524 4.524 4.398 0.126 18518 12684 1 19 . 1 1 101 101 SER C C 101 176.628 176.628 175.482 1.146 18518 12685 1 19 . 1 1 101 101 SER CA C 101 60.349 60.349 60.493 -0.144 18518 12686 1 19 . 1 1 101 101 SER CB C 101 64.741 64.741 64.166 0.575 18518 12687 1 19 . 1 1 101 101 SER H H 101 7.424 7.424 7.847 -0.423 18518 12688 1 19 . 1 1 102 102 GLU N N 102 116.533 116.533 119.460 -2.927 18518 12689 1 19 . 1 1 102 102 GLU HA H 102 4.744 4.744 4.669 0.075 18518 12690 1 19 . 1 1 102 102 GLU C C 102 176.774 176.774 175.569 1.205 18518 12691 1 19 . 1 1 102 102 GLU CA C 102 55.581 55.581 55.247 0.334 18518 12692 1 19 . 1 1 102 102 GLU CB C 102 30.697 30.697 30.271 0.426 18518 12693 1 19 . 1 1 102 102 GLU H H 102 8.487 8.487 8.101 0.386 18518 12694 1 19 . 1 1 103 103 LYS N N 103 118.370 118.370 119.665 -1.295 18518 12695 1 19 . 1 1 103 103 LYS HA H 103 4.178 4.178 3.916 0.262 18518 12696 1 19 . 1 1 103 103 LYS C C 103 175.018 175.018 176.654 -1.636 18518 12697 1 19 . 1 1 103 103 LYS CA C 103 57.329 57.329 56.991 0.338 18518 12698 1 19 . 1 1 103 103 LYS CB C 103 32.186 32.186 32.035 0.151 18518 12699 1 19 . 1 1 103 103 LYS H H 103 7.831 7.831 7.673 0.158 18518 12700 1 19 . 1 1 104 104 ASP N N 104 123.500 123.500 123.794 -0.294 18518 12701 1 19 . 1 1 104 104 ASP HA H 104 4.755 4.755 4.760 -0.005 18518 12702 1 19 . 1 1 104 104 ASP C C 104 177.383 177.383 177.566 -0.183 18518 12703 1 19 . 1 1 104 104 ASP CA C 104 53.846 53.846 52.881 0.965 18518 12704 1 19 . 1 1 104 104 ASP CB C 104 43.411 43.411 43.497 -0.086 18518 12705 1 19 . 1 1 104 104 ASP H H 104 9.041 9.041 8.148 0.893 18518 12706 1 19 . 1 1 105 105 GLU N N 105 125.448 125.448 120.133 5.315 18518 12707 1 19 . 1 1 105 105 GLU HA H 105 4.180 4.180 4.173 0.007 18518 12708 1 19 . 1 1 105 105 GLU C C 105 177.519 177.519 176.939 0.580 18518 12709 1 19 . 1 1 105 105 GLU CA C 105 59.529 59.529 58.857 0.672 18518 12710 1 19 . 1 1 105 105 GLU CB C 105 30.044 30.044 29.638 0.406 18518 12711 1 19 . 1 1 105 105 GLU H H 105 8.906 8.906 8.836 0.070 18518 12712 1 19 . 1 1 106 106 ASP N N 106 118.824 118.824 119.266 -0.442 18518 12713 1 19 . 1 1 106 106 ASP HA H 106 4.179 4.179 4.741 -0.562 18518 12714 1 19 . 1 1 106 106 ASP C C 106 176.223 176.223 176.861 -0.638 18518 12715 1 19 . 1 1 106 106 ASP CA C 106 54.756 54.756 55.394 -0.638 18518 12716 1 19 . 1 1 106 106 ASP CB C 106 39.999 39.999 41.357 -1.358 18518 12717 1 19 . 1 1 106 106 ASP H H 106 10.036 10.036 8.508 1.528 18518 12718 1 19 . 1 1 107 107 GLY N N 107 105.866 105.866 104.594 1.272 18518 12719 1 19 . 1 1 107 107 GLY C C 107 175.136 175.136 173.915 1.221 18518 12720 1 19 . 1 1 107 107 GLY CA C 107 45.222 45.222 45.053 0.168 18518 12721 1 19 . 1 1 107 107 GLY H H 107 8.001 8.001 8.125 -0.124 18518 12722 1 19 . 1 1 108 108 PHE N N 108 123.820 123.820 121.084 2.736 18518 12723 1 19 . 1 1 108 108 PHE HA H 108 4.662 4.662 4.999 -0.337 18518 12724 1 19 . 1 1 108 108 PHE C C 108 174.899 174.899 174.951 -0.052 18518 12725 1 19 . 1 1 108 108 PHE CA C 108 60.238 60.238 59.083 1.155 18518 12726 1 19 . 1 1 108 108 PHE CB C 108 40.365 40.365 40.034 0.331 18518 12727 1 19 . 1 1 108 108 PHE H H 108 9.912 9.912 7.716 2.196 18518 12728 1 19 . 1 1 109 109 LEU N N 109 120.130 120.130 120.355 -0.225 18518 12729 1 19 . 1 1 109 109 LEU HA H 109 5.030 5.030 4.852 0.178 18518 12730 1 19 . 1 1 109 109 LEU C C 109 173.916 173.916 174.931 -1.015 18518 12731 1 19 . 1 1 109 109 LEU CA C 109 53.424 53.424 53.646 -0.222 18518 12732 1 19 . 1 1 109 109 LEU CB C 109 45.203 45.203 44.964 0.239 18518 12733 1 19 . 1 1 109 109 LEU H H 109 7.997 7.997 8.499 -0.502 18518 12734 1 19 . 1 1 110 110 TYR N N 110 126.579 126.579 125.415 1.164 18518 12735 1 19 . 1 1 110 110 TYR HA H 110 5.003 5.003 4.720 0.283 18518 12736 1 19 . 1 1 110 110 TYR C C 110 176.671 176.671 175.159 1.512 18518 12737 1 19 . 1 1 110 110 TYR CA C 110 59.058 59.058 58.259 0.799 18518 12738 1 19 . 1 1 110 110 TYR CB C 110 39.556 39.556 39.918 -0.362 18518 12739 1 19 . 1 1 110 110 TYR H H 110 9.377 9.377 9.036 0.341 18518 12740 1 19 . 1 1 111 111 MET N N 111 119.240 119.240 122.009 -2.769 18518 12741 1 19 . 1 1 111 111 MET HA H 111 5.486 5.486 5.254 0.232 18518 12742 1 19 . 1 1 111 111 MET C C 111 175.695 175.695 174.607 1.088 18518 12743 1 19 . 1 1 111 111 MET CA C 111 54.124 54.124 54.937 -0.813 18518 12744 1 19 . 1 1 111 111 MET CB C 111 36.960 36.960 37.111 -0.151 18518 12745 1 19 . 1 1 111 111 MET H H 111 9.658 9.658 9.154 0.504 18518 12746 1 19 . 1 1 112 112 VAL N N 112 119.865 119.865 121.177 -1.312 18518 12747 1 19 . 1 1 112 112 VAL HA H 112 5.963 5.963 5.398 0.565 18518 12748 1 19 . 1 1 112 112 VAL C C 112 175.058 175.058 174.892 0.166 18518 12749 1 19 . 1 1 112 112 VAL CA C 112 58.911 58.911 59.958 -1.047 18518 12750 1 19 . 1 1 112 112 VAL CB C 112 36.051 36.051 35.564 0.487 18518 12751 1 19 . 1 1 112 112 VAL H H 112 8.794 8.794 8.623 0.171 18518 12752 1 19 . 1 1 113 113 TYR N N 113 119.664 119.664 120.674 -1.010 18518 12753 1 19 . 1 1 113 113 TYR HA H 113 6.118 6.118 5.851 0.267 18518 12754 1 19 . 1 1 113 113 TYR C C 113 173.375 173.375 173.387 -0.012 18518 12755 1 19 . 1 1 113 113 TYR CA C 113 54.153 54.153 55.319 -1.166 18518 12756 1 19 . 1 1 113 113 TYR CB C 113 43.312 43.312 41.968 1.344 18518 12757 1 19 . 1 1 113 113 TYR H H 113 8.315 8.315 8.612 -0.297 18518 12758 1 19 . 1 1 114 114 ALA N N 114 119.763 119.763 123.782 -4.019 18518 12759 1 19 . 1 1 114 114 ALA HA H 114 4.800 4.800 5.074 -0.274 18518 12760 1 19 . 1 1 114 114 ALA C C 114 176.216 176.216 175.202 1.014 18518 12761 1 19 . 1 1 114 114 ALA CA C 114 51.132 51.132 51.941 -0.809 18518 12762 1 19 . 1 1 114 114 ALA CB C 114 24.596 24.596 22.480 2.116 18518 12763 1 19 . 1 1 114 114 ALA H H 114 8.465 8.465 9.058 -0.593 18518 12764 1 19 . 1 1 115 115 SER N N 115 114.763 114.763 115.919 -1.156 18518 12765 1 19 . 1 1 115 115 SER HA H 115 4.496 4.496 4.846 -0.350 18518 12766 1 19 . 1 1 115 115 SER C C 115 172.671 172.671 173.879 -1.208 18518 12767 1 19 . 1 1 115 115 SER CA C 115 58.651 58.651 57.821 0.831 18518 12768 1 19 . 1 1 115 115 SER CB C 115 63.526 63.526 62.163 1.363 18518 12769 1 19 . 1 1 115 115 SER H H 115 9.915 9.915 9.165 0.750 18518 12770 1 19 . 1 1 116 116 GLN N N 116 116.611 116.611 122.925 -6.314 18518 12771 1 19 . 1 1 116 116 GLN HA H 116 4.484 4.484 4.563 -0.079 18518 12772 1 19 . 1 1 116 116 GLN C C 116 172.733 172.733 173.725 -0.992 18518 12773 1 19 . 1 1 116 116 GLN CA C 116 53.926 53.926 55.747 -1.821 18518 12774 1 19 . 1 1 116 116 GLN CB C 116 32.358 32.358 31.402 0.956 18518 12775 1 19 . 1 1 116 116 GLN H H 116 7.219 7.219 7.931 -0.712 18518 12776 1 19 . 1 1 117 117 GLU N N 117 117.623 117.623 120.925 -3.302 18518 12777 1 19 . 1 1 117 117 GLU HA H 117 3.287 3.287 2.476 0.811 18518 12778 1 19 . 1 1 117 117 GLU C C 117 175.168 175.168 175.164 0.004 18518 12779 1 19 . 1 1 117 117 GLU CA C 117 56.882 56.882 57.231 -0.349 18518 12780 1 19 . 1 1 117 117 GLU CB C 117 30.522 30.522 29.578 0.944 18518 12781 1 19 . 1 1 117 117 GLU H H 117 7.882 7.882 8.513 -0.631 18518 12782 1 19 . 1 1 118 118 THR N N 118 109.820 109.820 108.624 1.196 18518 12783 1 19 . 1 1 118 118 THR HA H 118 4.066 4.066 4.260 -0.194 18518 12784 1 19 . 1 1 118 118 THR C C 118 172.355 172.355 174.241 -1.886 18518 12785 1 19 . 1 1 118 118 THR CA C 118 60.029 60.029 60.203 -0.174 18518 12786 1 19 . 1 1 118 118 THR CB C 118 70.480 70.480 70.186 0.294 18518 12787 1 19 . 1 1 118 118 THR H H 118 6.992 6.992 7.185 -0.193 18518 12788 1 20 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.768 -0.432 18518 12789 1 20 . 1 1 2 2 ALA C C 2 177.974 177.974 177.383 0.591 18518 12790 1 20 . 1 1 2 2 ALA CA C 2 52.785 52.785 51.505 1.280 18518 12791 1 20 . 1 1 2 2 ALA CB C 2 19.444 19.444 19.985 -0.541 18518 12792 1 20 . 1 1 3 3 MET N N 3 119.311 119.311 121.119 -1.808 18518 12793 1 20 . 1 1 3 3 MET HA H 3 4.451 4.451 4.641 -0.190 18518 12794 1 20 . 1 1 3 3 MET C C 3 176.913 176.913 176.065 0.848 18518 12795 1 20 . 1 1 3 3 MET CA C 3 55.679 55.679 54.685 0.994 18518 12796 1 20 . 1 1 3 3 MET CB C 3 32.590 32.590 33.217 -0.626 18518 12797 1 20 . 1 1 3 3 MET H H 3 8.638 8.638 8.420 0.218 18518 12798 1 20 . 1 1 4 4 GLY N N 4 110.281 110.281 110.377 -0.096 18518 12799 1 20 . 1 1 4 4 GLY C C 4 174.180 174.180 174.126 0.054 18518 12800 1 20 . 1 1 4 4 GLY CA C 4 45.495 45.495 44.651 0.843 18518 12801 1 20 . 1 1 4 4 GLY H H 4 8.552 8.552 8.441 0.111 18518 12802 1 20 . 1 1 5 5 LYS N N 5 120.818 120.818 122.160 -1.342 18518 12803 1 20 . 1 1 5 5 LYS HA H 5 4.509 4.509 4.441 0.068 18518 12804 1 20 . 1 1 5 5 LYS C C 5 177.605 177.605 176.431 1.174 18518 12805 1 20 . 1 1 5 5 LYS CA C 5 56.134 56.134 55.358 0.776 18518 12806 1 20 . 1 1 5 5 LYS CB C 5 34.813 34.813 32.891 1.922 18518 12807 1 20 . 1 1 5 5 LYS H H 5 8.133 8.133 8.314 -0.181 18518 12808 1 20 . 1 1 6 6 THR N N 6 114.781 114.781 117.522 -2.741 18518 12809 1 20 . 1 1 6 6 THR HA H 6 4.421 4.421 4.393 0.028 18518 12810 1 20 . 1 1 6 6 THR C C 6 175.524 175.524 175.375 0.149 18518 12811 1 20 . 1 1 6 6 THR CA C 6 61.127 61.127 60.855 0.272 18518 12812 1 20 . 1 1 6 6 THR CB C 6 69.926 69.926 69.974 -0.048 18518 12813 1 20 . 1 1 6 6 THR H H 6 8.483 8.483 8.453 0.030 18518 12814 1 20 . 1 1 7 7 PHE N N 7 125.552 125.552 120.136 5.416 18518 12815 1 20 . 1 1 7 7 PHE HA H 7 4.005 4.005 4.207 -0.202 18518 12816 1 20 . 1 1 7 7 PHE C C 7 177.397 177.397 177.136 0.261 18518 12817 1 20 . 1 1 7 7 PHE CA C 7 63.393 63.393 61.506 1.887 18518 12818 1 20 . 1 1 7 7 PHE CB C 7 39.567 39.567 38.448 1.119 18518 12819 1 20 . 1 1 7 7 PHE H H 7 10.245 10.245 9.178 1.067 18518 12820 1 20 . 1 1 8 8 LYS N N 8 114.053 114.053 118.360 -4.307 18518 12821 1 20 . 1 1 8 8 LYS HA H 8 3.835 3.835 3.892 -0.057 18518 12822 1 20 . 1 1 8 8 LYS C C 8 175.520 175.520 178.555 -3.035 18518 12823 1 20 . 1 1 8 8 LYS CA C 8 59.993 59.993 58.418 1.575 18518 12824 1 20 . 1 1 8 8 LYS CB C 8 33.689 33.689 31.761 1.928 18518 12825 1 20 . 1 1 8 8 LYS H H 8 8.775 8.775 7.290 1.485 18518 12826 1 20 . 1 1 9 9 GLN N N 9 113.516 113.516 117.012 -3.496 18518 12827 1 20 . 1 1 9 9 GLN HA H 9 4.149 4.149 4.126 0.023 18518 12828 1 20 . 1 1 9 9 GLN C C 9 177.615 177.615 177.769 -0.154 18518 12829 1 20 . 1 1 9 9 GLN CA C 9 56.819 56.819 57.633 -0.813 18518 12830 1 20 . 1 1 9 9 GLN CB C 9 30.019 30.019 29.059 0.959 18518 12831 1 20 . 1 1 9 9 GLN H H 9 7.355 7.355 7.619 -0.264 18518 12832 1 20 . 1 1 10 10 ARG N N 10 118.294 118.294 117.507 0.787 18518 12833 1 20 . 1 1 10 10 ARG HA H 10 4.302 4.302 4.217 0.085 18518 12834 1 20 . 1 1 10 10 ARG C C 10 179.380 179.380 177.483 1.897 18518 12835 1 20 . 1 1 10 10 ARG CA C 10 57.268 57.268 57.564 -0.296 18518 12836 1 20 . 1 1 10 10 ARG CB C 10 31.642 31.642 30.992 0.650 18518 12837 1 20 . 1 1 10 10 ARG H H 10 7.936 7.936 7.977 -0.041 18518 12838 1 20 . 1 1 11 11 ARG N N 11 121.137 121.137 120.270 0.867 18518 12839 1 20 . 1 1 11 11 ARG HA H 11 4.680 4.680 4.735 -0.055 18518 12840 1 20 . 1 1 11 11 ARG CA C 11 53.453 53.453 53.662 -0.209 18518 12841 1 20 . 1 1 11 11 ARG CB C 11 32.938 32.938 31.266 1.672 18518 12842 1 20 . 1 1 11 11 ARG H H 11 7.390 7.390 8.174 -0.784 18518 12843 1 20 . 1 1 12 12 THR N N 12 116.819 116.819 118.689 -1.870 18518 12844 1 20 . 1 1 12 12 THR HA H 12 4.359 4.359 4.336 0.023 18518 12845 1 20 . 1 1 12 12 THR C C 12 174.989 174.989 175.725 -0.736 18518 12846 1 20 . 1 1 12 12 THR CA C 12 61.748 61.748 61.619 0.129 18518 12847 1 20 . 1 1 12 12 THR CB C 12 71.068 71.068 70.189 0.879 18518 12848 1 20 . 1 1 12 12 THR H H 12 8.953 8.953 8.540 0.413 18518 12849 1 20 . 1 1 13 13 PHE N N 13 123.200 123.200 123.833 -0.633 18518 12850 1 20 . 1 1 13 13 PHE HA H 13 4.028 4.028 4.151 -0.123 18518 12851 1 20 . 1 1 13 13 PHE C C 13 176.029 176.029 177.036 -1.007 18518 12852 1 20 . 1 1 13 13 PHE CA C 13 62.864 62.864 62.751 0.113 18518 12853 1 20 . 1 1 13 13 PHE CB C 13 39.560 39.560 39.406 0.154 18518 12854 1 20 . 1 1 13 13 PHE H H 13 9.284 9.284 9.177 0.107 18518 12855 1 20 . 1 1 14 14 GLU N N 14 115.414 115.414 117.788 -2.374 18518 12856 1 20 . 1 1 14 14 GLU HA H 14 3.794 3.794 3.839 -0.045 18518 12857 1 20 . 1 1 14 14 GLU C C 14 180.081 180.081 179.070 1.011 18518 12858 1 20 . 1 1 14 14 GLU CA C 14 60.619 60.619 59.829 0.790 18518 12859 1 20 . 1 1 14 14 GLU CB C 14 28.852 28.852 28.945 -0.093 18518 12860 1 20 . 1 1 14 14 GLU H H 14 8.973 8.973 8.822 0.151 18518 12861 1 20 . 1 1 15 15 GLN N N 15 119.276 119.276 118.050 1.226 18518 12862 1 20 . 1 1 15 15 GLN HA H 15 4.000 4.000 4.098 -0.098 18518 12863 1 20 . 1 1 15 15 GLN C C 15 177.978 177.978 178.718 -0.740 18518 12864 1 20 . 1 1 15 15 GLN CA C 15 58.835 58.835 58.492 0.343 18518 12865 1 20 . 1 1 15 15 GLN CB C 15 29.370 29.370 28.174 1.196 18518 12866 1 20 . 1 1 15 15 GLN H H 15 7.756 7.756 7.742 0.014 18518 12867 1 20 . 1 1 16 16 ARG N N 16 121.336 121.336 120.725 0.611 18518 12868 1 20 . 1 1 16 16 ARG HA H 16 4.270 4.270 3.989 0.281 18518 12869 1 20 . 1 1 16 16 ARG C C 16 177.416 177.416 178.549 -1.133 18518 12870 1 20 . 1 1 16 16 ARG CA C 16 61.375 61.375 59.738 1.637 18518 12871 1 20 . 1 1 16 16 ARG CB C 16 30.605 30.605 30.247 0.358 18518 12872 1 20 . 1 1 16 16 ARG H H 16 8.645 8.645 8.151 0.494 18518 12873 1 20 . 1 1 17 17 VAL N N 17 117.630 117.630 119.479 -1.849 18518 12874 1 20 . 1 1 17 17 VAL HA H 17 3.857 3.857 3.503 0.354 18518 12875 1 20 . 1 1 17 17 VAL C C 17 179.748 179.748 178.106 1.642 18518 12876 1 20 . 1 1 17 17 VAL CA C 17 65.726 65.726 66.697 -0.971 18518 12877 1 20 . 1 1 17 17 VAL CB C 17 32.194 32.194 31.545 0.649 18518 12878 1 20 . 1 1 17 17 VAL H H 17 8.373 8.373 8.387 -0.014 18518 12879 1 20 . 1 1 18 18 GLU N N 18 120.864 120.864 119.189 1.675 18518 12880 1 20 . 1 1 18 18 GLU HA H 18 4.302 4.302 3.906 0.396 18518 12881 1 20 . 1 1 18 18 GLU C C 18 177.728 177.728 178.316 -0.588 18518 12882 1 20 . 1 1 18 18 GLU CA C 18 58.486 58.486 59.650 -1.164 18518 12883 1 20 . 1 1 18 18 GLU CB C 18 29.382 29.382 29.292 0.090 18518 12884 1 20 . 1 1 18 18 GLU H H 18 7.368 7.368 7.874 -0.506 18518 12885 1 20 . 1 1 19 19 ASP N N 19 121.425 121.425 119.863 1.562 18518 12886 1 20 . 1 1 19 19 ASP HA H 19 4.434 4.434 4.338 0.096 18518 12887 1 20 . 1 1 19 19 ASP C C 19 179.978 179.978 178.489 1.489 18518 12888 1 20 . 1 1 19 19 ASP CA C 19 57.422 57.422 57.427 -0.005 18518 12889 1 20 . 1 1 19 19 ASP CB C 19 41.287 41.287 40.979 0.308 18518 12890 1 20 . 1 1 19 19 ASP H H 19 8.671 8.671 8.015 0.656 18518 12891 1 20 . 1 1 20 20 VAL N N 20 119.730 119.730 120.303 -0.573 18518 12892 1 20 . 1 1 20 20 VAL HA H 20 3.205 3.205 3.520 -0.315 18518 12893 1 20 . 1 1 20 20 VAL C C 20 176.284 176.284 178.251 -1.967 18518 12894 1 20 . 1 1 20 20 VAL CA C 20 66.315 66.315 66.031 0.284 18518 12895 1 20 . 1 1 20 20 VAL CB C 20 31.107 31.107 30.958 0.149 18518 12896 1 20 . 1 1 20 20 VAL H H 20 7.999 7.999 8.373 -0.374 18518 12897 1 20 . 1 1 21 21 ARG N N 21 121.455 121.455 119.602 1.853 18518 12898 1 20 . 1 1 21 21 ARG HA H 21 3.814 3.814 3.984 -0.170 18518 12899 1 20 . 1 1 21 21 ARG C C 21 180.120 180.120 178.667 1.453 18518 12900 1 20 . 1 1 21 21 ARG CA C 21 59.830 59.830 58.900 0.930 18518 12901 1 20 . 1 1 21 21 ARG CB C 21 29.946 29.946 29.108 0.838 18518 12902 1 20 . 1 1 21 21 ARG H H 21 8.098 8.098 7.901 0.197 18518 12903 1 20 . 1 1 22 22 LEU N N 22 117.826 117.826 121.579 -3.753 18518 12904 1 20 . 1 1 22 22 LEU HA H 22 4.049 4.049 4.118 -0.069 18518 12905 1 20 . 1 1 22 22 LEU C C 22 180.115 180.115 178.445 1.670 18518 12906 1 20 . 1 1 22 22 LEU CA C 22 57.790 57.790 57.678 0.112 18518 12907 1 20 . 1 1 22 22 LEU CB C 22 42.142 42.142 41.602 0.540 18518 12908 1 20 . 1 1 22 22 LEU H H 22 8.207 8.207 8.238 -0.031 18518 12909 1 20 . 1 1 23 23 ILE N N 23 121.450 121.450 119.855 1.595 18518 12910 1 20 . 1 1 23 23 ILE HA H 23 4.013 4.013 3.674 0.339 18518 12911 1 20 . 1 1 23 23 ILE C C 23 178.149 178.149 178.018 0.131 18518 12912 1 20 . 1 1 23 23 ILE CA C 23 62.171 62.171 64.862 -2.692 18518 12913 1 20 . 1 1 23 23 ILE CB C 23 38.106 38.106 37.706 0.400 18518 12914 1 20 . 1 1 23 23 ILE H H 23 8.105 8.105 8.467 -0.362 18518 12915 1 20 . 1 1 24 24 ARG N N 24 121.139 121.139 118.949 2.190 18518 12916 1 20 . 1 1 24 24 ARG HA H 24 3.987 3.987 4.055 -0.068 18518 12917 1 20 . 1 1 24 24 ARG C C 24 178.702 178.702 178.345 0.357 18518 12918 1 20 . 1 1 24 24 ARG CA C 24 57.718 57.718 58.937 -1.219 18518 12919 1 20 . 1 1 24 24 ARG CB C 24 28.769 28.769 29.811 -1.042 18518 12920 1 20 . 1 1 24 24 ARG H H 24 8.601 8.601 8.359 0.242 18518 12921 1 20 . 1 1 25 25 GLU N N 25 118.054 118.054 119.157 -1.103 18518 12922 1 20 . 1 1 25 25 GLU HA H 25 4.026 4.026 4.138 -0.112 18518 12923 1 20 . 1 1 25 25 GLU C C 25 178.492 178.492 178.750 -0.258 18518 12924 1 20 . 1 1 25 25 GLU CA C 25 58.780 58.780 58.564 0.216 18518 12925 1 20 . 1 1 25 25 GLU CB C 25 30.001 30.001 29.956 0.045 18518 12926 1 20 . 1 1 25 25 GLU H H 25 7.423 7.423 7.662 -0.239 18518 12927 1 20 . 1 1 26 26 GLN N N 26 116.350 116.350 116.445 -0.095 18518 12928 1 20 . 1 1 26 26 GLN HA H 26 3.936 3.936 4.018 -0.082 18518 12929 1 20 . 1 1 26 26 GLN C C 26 176.305 176.305 177.100 -0.795 18518 12930 1 20 . 1 1 26 26 GLN CA C 26 57.503 57.503 57.477 0.026 18518 12931 1 20 . 1 1 26 26 GLN CB C 26 30.207 30.207 29.634 0.573 18518 12932 1 20 . 1 1 26 26 GLN H H 26 7.524 7.524 7.723 -0.199 18518 12933 1 20 . 1 1 27 27 HIS N N 27 116.017 116.017 118.588 -2.571 18518 12934 1 20 . 1 1 27 27 HIS HA H 27 4.930 4.930 5.123 -0.193 18518 12935 1 20 . 1 1 27 27 HIS CA C 27 53.054 53.054 53.258 -0.204 18518 12936 1 20 . 1 1 27 27 HIS CB C 27 30.747 30.747 30.237 0.510 18518 12937 1 20 . 1 1 27 27 HIS H H 27 8.284 8.284 8.257 0.027 18518 12938 1 20 . 1 1 28 28 PRO HA H 28 4.581 4.581 4.525 0.056 18518 12939 1 20 . 1 1 28 28 PRO CA C 28 64.919 64.919 64.383 0.536 18518 12940 1 20 . 1 1 28 28 PRO CB C 28 32.455 32.455 32.370 0.085 18518 12941 1 20 . 1 1 29 29 THR N N 29 107.011 107.011 107.845 -0.834 18518 12942 1 20 . 1 1 29 29 THR HA H 29 4.599 4.599 4.679 -0.080 18518 12943 1 20 . 1 1 29 29 THR C C 29 172.884 172.884 174.187 -1.303 18518 12944 1 20 . 1 1 29 29 THR CA C 29 60.810 60.810 61.608 -0.798 18518 12945 1 20 . 1 1 29 29 THR CB C 29 68.531 68.531 68.610 -0.079 18518 12946 1 20 . 1 1 29 29 THR H H 29 7.890 7.890 8.420 -0.530 18518 12947 1 20 . 1 1 30 30 LYS N N 30 117.679 117.679 120.722 -3.043 18518 12948 1 20 . 1 1 30 30 LYS HA H 30 4.858 4.858 5.040 -0.182 18518 12949 1 20 . 1 1 30 30 LYS C C 30 174.310 174.310 174.253 0.057 18518 12950 1 20 . 1 1 30 30 LYS CA C 30 53.751 53.751 53.915 -0.164 18518 12951 1 20 . 1 1 30 30 LYS CB C 30 35.804 35.804 36.289 -0.485 18518 12952 1 20 . 1 1 30 30 LYS H H 30 7.441 7.441 7.442 -0.001 18518 12953 1 20 . 1 1 31 31 ILE N N 31 122.849 122.849 120.956 1.893 18518 12954 1 20 . 1 1 31 31 ILE HA H 31 4.105 4.105 4.404 -0.299 18518 12955 1 20 . 1 1 31 31 ILE CA C 31 54.801 54.801 56.661 -1.860 18518 12956 1 20 . 1 1 31 31 ILE CB C 31 38.265 38.265 40.152 -1.887 18518 12957 1 20 . 1 1 31 31 ILE H H 31 9.304 9.304 8.682 0.622 18518 12958 1 20 . 1 1 32 32 PRO HA H 32 5.159 5.159 4.852 0.307 18518 12959 1 20 . 1 1 32 32 PRO C C 32 174.164 174.164 175.552 -1.388 18518 12960 1 20 . 1 1 32 32 PRO CA C 32 61.503 61.503 62.315 -0.812 18518 12961 1 20 . 1 1 32 32 PRO CB C 32 31.145 31.145 31.378 -0.233 18518 12962 1 20 . 1 1 33 33 VAL N N 33 125.606 125.606 125.322 0.284 18518 12963 1 20 . 1 1 33 33 VAL HA H 33 5.213 5.213 4.798 0.415 18518 12964 1 20 . 1 1 33 33 VAL C C 33 173.654 173.654 173.254 0.400 18518 12965 1 20 . 1 1 33 33 VAL CA C 33 60.044 60.044 58.923 1.121 18518 12966 1 20 . 1 1 33 33 VAL CB C 33 35.604 35.604 35.968 -0.363 18518 12967 1 20 . 1 1 33 33 VAL H H 33 9.424 9.424 8.555 0.869 18518 12968 1 20 . 1 1 34 34 ILE N N 34 128.241 128.241 126.957 1.284 18518 12969 1 20 . 1 1 34 34 ILE HA H 34 4.833 4.833 4.789 0.044 18518 12970 1 20 . 1 1 34 34 ILE C C 34 175.605 175.605 175.018 0.587 18518 12971 1 20 . 1 1 34 34 ILE CA C 34 56.765 56.765 58.551 -1.786 18518 12972 1 20 . 1 1 34 34 ILE CB C 34 36.799 36.799 39.462 -2.663 18518 12973 1 20 . 1 1 34 34 ILE H H 34 8.721 8.721 8.859 -0.138 18518 12974 1 20 . 1 1 35 35 ILE N N 35 125.650 125.650 127.295 -1.645 18518 12975 1 20 . 1 1 35 35 ILE HA H 35 4.836 4.836 4.622 0.214 18518 12976 1 20 . 1 1 35 35 ILE C C 35 174.887 174.887 174.308 0.579 18518 12977 1 20 . 1 1 35 35 ILE CA C 35 60.945 60.945 60.297 0.648 18518 12978 1 20 . 1 1 35 35 ILE CB C 35 39.210 39.210 39.810 -0.601 18518 12979 1 20 . 1 1 35 35 ILE H H 35 9.034 9.034 9.154 -0.120 18518 12980 1 20 . 1 1 36 36 GLU N N 36 122.657 122.657 127.503 -4.846 18518 12981 1 20 . 1 1 36 36 GLU HA H 36 4.861 4.861 4.809 0.052 18518 12982 1 20 . 1 1 36 36 GLU C C 36 173.848 173.848 174.724 -0.876 18518 12983 1 20 . 1 1 36 36 GLU CA C 36 53.932 53.932 54.349 -0.417 18518 12984 1 20 . 1 1 36 36 GLU CB C 36 35.282 35.282 34.237 1.045 18518 12985 1 20 . 1 1 36 36 GLU H H 36 8.303 8.303 8.471 -0.168 18518 12986 1 20 . 1 1 37 37 ARG N N 37 123.228 123.228 126.284 -3.056 18518 12987 1 20 . 1 1 37 37 ARG HA H 37 2.726 2.726 3.087 -0.361 18518 12988 1 20 . 1 1 37 37 ARG C C 37 176.359 176.359 175.717 0.642 18518 12989 1 20 . 1 1 37 37 ARG CA C 37 56.359 56.359 56.152 0.207 18518 12990 1 20 . 1 1 37 37 ARG CB C 37 31.341 31.341 30.583 0.758 18518 12991 1 20 . 1 1 37 37 ARG H H 37 8.856 8.856 8.656 0.200 18518 12992 1 20 . 1 1 38 38 TYR N N 38 128.981 128.981 128.101 0.880 18518 12993 1 20 . 1 1 38 38 TYR HA H 38 4.352 4.352 4.171 0.181 18518 12994 1 20 . 1 1 38 38 TYR C C 38 177.316 177.316 176.321 0.995 18518 12995 1 20 . 1 1 38 38 TYR CA C 38 57.712 57.712 58.384 -0.672 18518 12996 1 20 . 1 1 38 38 TYR CB C 38 39.472 39.472 39.931 -0.459 18518 12997 1 20 . 1 1 38 38 TYR H H 38 8.628 8.628 8.393 0.235 18518 12998 1 20 . 1 1 39 39 LYS N N 39 130.635 130.635 126.200 4.435 18518 12999 1 20 . 1 1 39 39 LYS HA H 39 3.822 3.822 3.818 0.004 18518 13000 1 20 . 1 1 39 39 LYS CA C 39 58.887 58.887 58.517 0.370 18518 13001 1 20 . 1 1 39 39 LYS CB C 39 31.771 31.771 32.079 -0.308 18518 13002 1 20 . 1 1 39 39 LYS H H 39 8.594 8.594 8.298 0.296 18518 13003 1 20 . 1 1 40 40 GLY C C 40 173.447 173.447 174.688 -1.241 18518 13004 1 20 . 1 1 40 40 GLY CA C 40 44.663 44.663 44.167 0.496 18518 13005 1 20 . 1 1 40 40 GLY H H 40 5.188 5.188 6.520 -1.332 18518 13006 1 20 . 1 1 41 41 GLU N N 41 122.836 122.836 121.516 1.320 18518 13007 1 20 . 1 1 41 41 GLU HA H 41 4.257 4.257 4.379 -0.122 18518 13008 1 20 . 1 1 41 41 GLU C C 41 176.524 176.524 175.955 0.569 18518 13009 1 20 . 1 1 41 41 GLU CA C 41 56.525 56.525 56.569 -0.043 18518 13010 1 20 . 1 1 41 41 GLU CB C 41 30.985 30.985 30.242 0.743 18518 13011 1 20 . 1 1 41 41 GLU H H 41 7.380 7.380 7.579 -0.199 18518 13012 1 20 . 1 1 42 42 LYS N N 42 124.040 124.040 122.210 1.830 18518 13013 1 20 . 1 1 42 42 LYS HA H 42 4.675 4.675 4.486 0.189 18518 13014 1 20 . 1 1 42 42 LYS C C 42 177.538 177.538 177.312 0.226 18518 13015 1 20 . 1 1 42 42 LYS CA C 42 55.840 55.840 56.772 -0.932 18518 13016 1 20 . 1 1 42 42 LYS CB C 42 34.979 34.979 33.645 1.334 18518 13017 1 20 . 1 1 42 42 LYS H H 42 9.034 9.034 8.409 0.625 18518 13018 1 20 . 1 1 43 43 GLN N N 43 119.259 119.259 117.578 1.681 18518 13019 1 20 . 1 1 43 43 GLN HA H 43 4.542 4.542 4.303 0.239 18518 13020 1 20 . 1 1 43 43 GLN C C 43 177.336 177.336 176.101 1.235 18518 13021 1 20 . 1 1 43 43 GLN CA C 43 57.673 57.673 57.066 0.607 18518 13022 1 20 . 1 1 43 43 GLN CB C 43 30.782 30.782 30.188 0.594 18518 13023 1 20 . 1 1 43 43 GLN H H 43 8.435 8.435 8.769 -0.334 18518 13024 1 20 . 1 1 44 44 LEU N N 44 120.760 120.760 123.470 -2.710 18518 13025 1 20 . 1 1 44 44 LEU HA H 44 4.695 4.695 4.819 -0.124 18518 13026 1 20 . 1 1 44 44 LEU CA C 44 53.245 53.245 52.261 0.984 18518 13027 1 20 . 1 1 44 44 LEU CB C 44 43.596 43.596 41.840 1.756 18518 13028 1 20 . 1 1 44 44 LEU H H 44 9.126 9.126 8.256 0.870 18518 13029 1 20 . 1 1 45 45 PRO HA H 45 4.717 4.717 4.576 0.141 18518 13030 1 20 . 1 1 45 45 PRO C C 45 175.797 175.797 176.282 -0.485 18518 13031 1 20 . 1 1 45 45 PRO CA C 45 62.111 62.111 62.063 0.048 18518 13032 1 20 . 1 1 45 45 PRO CB C 45 32.592 32.592 32.376 0.216 18518 13033 1 20 . 1 1 46 46 VAL N N 46 119.052 119.052 120.468 -1.416 18518 13034 1 20 . 1 1 46 46 VAL HA H 46 3.867 3.867 4.206 -0.339 18518 13035 1 20 . 1 1 46 46 VAL C C 46 175.640 175.640 176.850 -1.210 18518 13036 1 20 . 1 1 46 46 VAL CA C 46 62.944 62.944 62.665 0.279 18518 13037 1 20 . 1 1 46 46 VAL CB C 46 32.799 32.799 32.328 0.471 18518 13038 1 20 . 1 1 46 46 VAL H H 46 8.543 8.543 8.356 0.187 18518 13039 1 20 . 1 1 47 47 LEU N N 47 130.203 130.203 127.509 2.694 18518 13040 1 20 . 1 1 47 47 LEU HA H 47 4.309 4.309 4.247 0.062 18518 13041 1 20 . 1 1 47 47 LEU C C 47 176.198 176.198 177.071 -0.873 18518 13042 1 20 . 1 1 47 47 LEU CA C 47 55.006 55.006 55.466 -0.460 18518 13043 1 20 . 1 1 47 47 LEU CB C 47 43.832 43.832 42.454 1.378 18518 13044 1 20 . 1 1 47 47 LEU H H 47 7.799 7.799 8.391 -0.592 18518 13045 1 20 . 1 1 48 48 ASP N N 48 122.403 122.403 120.344 2.059 18518 13046 1 20 . 1 1 48 48 ASP HA H 48 4.263 4.263 4.511 -0.248 18518 13047 1 20 . 1 1 48 48 ASP C C 48 175.294 175.294 176.135 -0.841 18518 13048 1 20 . 1 1 48 48 ASP CA C 48 55.832 55.832 56.118 -0.286 18518 13049 1 20 . 1 1 48 48 ASP CB C 48 40.184 40.184 41.236 -1.052 18518 13050 1 20 . 1 1 48 48 ASP H H 48 8.780 8.780 8.732 0.048 18518 13051 1 20 . 1 1 49 49 LYS N N 49 119.569 119.569 114.680 4.889 18518 13052 1 20 . 1 1 49 49 LYS HA H 49 4.585 4.585 4.527 0.058 18518 13053 1 20 . 1 1 49 49 LYS C C 49 174.678 174.678 175.513 -0.835 18518 13054 1 20 . 1 1 49 49 LYS CA C 49 53.652 53.652 55.292 -1.640 18518 13055 1 20 . 1 1 49 49 LYS CB C 49 35.945 35.945 35.238 0.707 18518 13056 1 20 . 1 1 49 49 LYS H H 49 7.280 7.280 7.727 -0.447 18518 13057 1 20 . 1 1 50 50 THR N N 50 110.862 110.862 112.168 -1.306 18518 13058 1 20 . 1 1 50 50 THR HA H 50 4.811 4.811 4.764 0.047 18518 13059 1 20 . 1 1 50 50 THR C C 50 172.425 172.425 174.245 -1.820 18518 13060 1 20 . 1 1 50 50 THR CA C 50 62.645 62.645 63.383 -0.738 18518 13061 1 20 . 1 1 50 50 THR CB C 50 71.648 71.648 70.360 1.288 18518 13062 1 20 . 1 1 50 50 THR H H 50 8.042 8.042 8.344 -0.302 18518 13063 1 20 . 1 1 51 51 LYS N N 51 120.008 120.008 123.182 -3.174 18518 13064 1 20 . 1 1 51 51 LYS HA H 51 4.625 4.625 4.957 -0.332 18518 13065 1 20 . 1 1 51 51 LYS C C 51 175.082 175.082 176.022 -0.940 18518 13066 1 20 . 1 1 51 51 LYS CA C 51 54.704 54.704 55.553 -0.850 18518 13067 1 20 . 1 1 51 51 LYS CB C 51 32.376 32.376 33.217 -0.841 18518 13068 1 20 . 1 1 51 51 LYS H H 51 7.119 7.119 7.558 -0.439 18518 13069 1 20 . 1 1 52 52 PHE N N 52 122.640 122.640 124.045 -1.405 18518 13070 1 20 . 1 1 52 52 PHE HA H 52 5.337 5.337 4.723 0.614 18518 13071 1 20 . 1 1 52 52 PHE C C 52 174.213 174.213 174.384 -0.171 18518 13072 1 20 . 1 1 52 52 PHE CA C 52 56.611 56.611 56.775 -0.164 18518 13073 1 20 . 1 1 52 52 PHE CB C 52 43.140 43.140 43.001 0.139 18518 13074 1 20 . 1 1 52 52 PHE H H 52 9.709 9.709 9.202 0.507 18518 13075 1 20 . 1 1 53 53 LEU N N 53 122.157 122.157 124.245 -2.088 18518 13076 1 20 . 1 1 53 53 LEU HA H 53 4.947 4.947 4.890 0.057 18518 13077 1 20 . 1 1 53 53 LEU C C 53 175.769 175.769 176.136 -0.367 18518 13078 1 20 . 1 1 53 53 LEU CA C 53 52.957 52.957 53.981 -1.024 18518 13079 1 20 . 1 1 53 53 LEU CB C 53 44.415 44.415 42.946 1.469 18518 13080 1 20 . 1 1 53 53 LEU H H 53 8.959 8.959 8.562 0.397 18518 13081 1 20 . 1 1 54 54 VAL N N 54 124.919 124.919 122.178 2.741 18518 13082 1 20 . 1 1 54 54 VAL HA H 54 4.559 4.559 4.726 -0.167 18518 13083 1 20 . 1 1 54 54 VAL CA C 54 59.130 59.130 58.173 0.957 18518 13084 1 20 . 1 1 54 54 VAL CB C 54 34.968 34.968 33.601 1.367 18518 13085 1 20 . 1 1 54 54 VAL H H 54 8.922 8.922 8.395 0.527 18518 13086 1 20 . 1 1 55 55 PRO HA H 55 4.441 4.441 4.917 -0.476 18518 13087 1 20 . 1 1 55 55 PRO C C 55 176.594 176.594 177.885 -1.291 18518 13088 1 20 . 1 1 55 55 PRO CA C 55 64.315 64.315 62.082 2.233 18518 13089 1 20 . 1 1 55 55 PRO CB C 55 32.665 32.665 32.690 -0.025 18518 13090 1 20 . 1 1 56 56 ASP N N 56 120.522 120.522 122.711 -2.189 18518 13091 1 20 . 1 1 56 56 ASP HA H 56 3.862 3.862 4.225 -0.363 18518 13092 1 20 . 1 1 56 56 ASP C C 56 175.809 175.809 177.174 -1.365 18518 13093 1 20 . 1 1 56 56 ASP CA C 56 56.749 56.749 56.920 -0.171 18518 13094 1 20 . 1 1 56 56 ASP CB C 56 40.510 40.510 40.453 0.057 18518 13095 1 20 . 1 1 56 56 ASP H H 56 8.347 8.347 8.355 -0.008 18518 13096 1 20 . 1 1 57 57 HIS N N 57 113.482 113.482 115.453 -1.971 18518 13097 1 20 . 1 1 57 57 HIS HA H 57 4.720 4.720 4.505 0.215 18518 13098 1 20 . 1 1 57 57 HIS C C 57 176.507 176.507 175.391 1.116 18518 13099 1 20 . 1 1 57 57 HIS CA C 57 55.589 55.589 56.551 -0.962 18518 13100 1 20 . 1 1 57 57 HIS CB C 57 30.643 30.643 29.501 1.142 18518 13101 1 20 . 1 1 57 57 HIS H H 57 7.557 7.557 8.147 -0.590 18518 13102 1 20 . 1 1 58 58 VAL N N 58 123.279 123.279 121.228 2.051 18518 13103 1 20 . 1 1 58 58 VAL HA H 58 3.836 3.836 4.110 -0.274 18518 13104 1 20 . 1 1 58 58 VAL C C 58 175.019 175.019 174.680 0.339 18518 13105 1 20 . 1 1 58 58 VAL CA C 58 62.823 62.823 60.725 2.098 18518 13106 1 20 . 1 1 58 58 VAL CB C 58 32.310 32.310 33.633 -1.323 18518 13107 1 20 . 1 1 58 58 VAL H H 58 7.345 7.345 7.288 0.057 18518 13108 1 20 . 1 1 59 59 ASN N N 59 123.781 123.781 123.911 -0.130 18518 13109 1 20 . 1 1 59 59 ASN HA H 59 5.126 5.126 4.799 0.327 18518 13110 1 20 . 1 1 59 59 ASN C C 59 176.558 176.558 176.154 0.404 18518 13111 1 20 . 1 1 59 59 ASN CA C 59 51.485 51.485 52.484 -0.999 18518 13112 1 20 . 1 1 59 59 ASN CB C 59 40.107 40.107 39.697 0.409 18518 13113 1 20 . 1 1 59 59 ASN H H 59 8.735 8.735 8.532 0.203 18518 13114 1 20 . 1 1 60 60 MET N N 60 117.453 117.453 118.658 -1.205 18518 13115 1 20 . 1 1 60 60 MET HA H 60 4.395 4.395 4.168 0.227 18518 13116 1 20 . 1 1 60 60 MET C C 60 178.144 178.144 178.066 0.078 18518 13117 1 20 . 1 1 60 60 MET CA C 60 57.097 57.097 58.924 -1.827 18518 13118 1 20 . 1 1 60 60 MET CB C 60 30.140 30.140 31.816 -1.676 18518 13119 1 20 . 1 1 60 60 MET H H 60 8.227 8.227 8.204 0.023 18518 13120 1 20 . 1 1 61 61 SER N N 61 114.216 114.216 114.964 -0.748 18518 13121 1 20 . 1 1 61 61 SER HA H 61 4.111 4.111 4.015 0.096 18518 13122 1 20 . 1 1 61 61 SER C C 61 177.335 177.335 176.679 0.656 18518 13123 1 20 . 1 1 61 61 SER CA C 61 61.590 61.590 62.106 -0.516 18518 13124 1 20 . 1 1 61 61 SER CB C 61 62.402 62.402 62.836 -0.433 18518 13125 1 20 . 1 1 61 61 SER H H 61 8.464 8.464 8.337 0.127 18518 13126 1 20 . 1 1 62 62 GLU N N 62 123.004 123.004 121.009 1.995 18518 13127 1 20 . 1 1 62 62 GLU HA H 62 4.047 4.047 4.073 -0.026 18518 13128 1 20 . 1 1 62 62 GLU C C 62 178.686 178.686 178.883 -0.197 18518 13129 1 20 . 1 1 62 62 GLU CA C 62 58.625 58.625 58.971 -0.346 18518 13130 1 20 . 1 1 62 62 GLU CB C 62 29.654 29.654 29.326 0.328 18518 13131 1 20 . 1 1 62 62 GLU H H 62 7.994 7.994 7.557 0.437 18518 13132 1 20 . 1 1 63 63 LEU N N 63 120.818 120.818 122.031 -1.213 18518 13133 1 20 . 1 1 63 63 LEU HA H 63 3.965 3.965 3.977 -0.012 18518 13134 1 20 . 1 1 63 63 LEU C C 63 178.046 178.046 178.841 -0.795 18518 13135 1 20 . 1 1 63 63 LEU CA C 63 57.920 57.920 57.868 0.052 18518 13136 1 20 . 1 1 63 63 LEU CB C 63 41.624 41.624 41.419 0.205 18518 13137 1 20 . 1 1 63 63 LEU H H 63 8.130 8.130 7.717 0.413 18518 13138 1 20 . 1 1 64 64 ILE N N 64 118.528 118.528 119.004 -0.476 18518 13139 1 20 . 1 1 64 64 ILE HA H 64 3.369 3.369 3.640 -0.271 18518 13140 1 20 . 1 1 64 64 ILE C C 64 177.127 177.127 177.988 -0.861 18518 13141 1 20 . 1 1 64 64 ILE CA C 64 66.678 66.678 63.910 2.768 18518 13142 1 20 . 1 1 64 64 ILE CB C 64 38.444 38.444 36.016 2.428 18518 13143 1 20 . 1 1 64 64 ILE H H 64 8.488 8.488 8.629 -0.141 18518 13144 1 20 . 1 1 65 65 LYS N N 65 118.336 118.336 121.090 -2.754 18518 13145 1 20 . 1 1 65 65 LYS HA H 65 3.701 3.701 4.013 -0.312 18518 13146 1 20 . 1 1 65 65 LYS C C 65 179.291 179.291 179.310 -0.019 18518 13147 1 20 . 1 1 65 65 LYS CA C 65 60.440 60.440 59.654 0.786 18518 13148 1 20 . 1 1 65 65 LYS CB C 65 32.371 32.371 32.013 0.358 18518 13149 1 20 . 1 1 65 65 LYS H H 65 7.347 7.347 7.804 -0.457 18518 13150 1 20 . 1 1 66 66 ILE N N 66 120.171 120.171 120.500 -0.329 18518 13151 1 20 . 1 1 66 66 ILE HA H 66 3.578 3.578 3.735 -0.157 18518 13152 1 20 . 1 1 66 66 ILE C C 66 178.873 178.873 178.188 0.685 18518 13153 1 20 . 1 1 66 66 ILE CA C 66 65.160 65.160 65.327 -0.167 18518 13154 1 20 . 1 1 66 66 ILE CB C 66 38.633 38.633 37.868 0.765 18518 13155 1 20 . 1 1 66 66 ILE H H 66 7.901 7.901 8.007 -0.106 18518 13156 1 20 . 1 1 67 67 ILE N N 67 121.185 121.185 121.148 0.037 18518 13157 1 20 . 1 1 67 67 ILE HA H 67 3.446 3.446 3.527 -0.081 18518 13158 1 20 . 1 1 67 67 ILE C C 67 177.150 177.150 177.680 -0.530 18518 13159 1 20 . 1 1 67 67 ILE CA C 67 62.806 62.806 64.861 -2.055 18518 13160 1 20 . 1 1 67 67 ILE CB C 67 34.995 34.995 37.214 -2.219 18518 13161 1 20 . 1 1 67 67 ILE H H 67 8.290 8.290 7.899 0.391 18518 13162 1 20 . 1 1 68 68 ARG N N 68 119.173 119.173 119.067 0.106 18518 13163 1 20 . 1 1 68 68 ARG HA H 68 2.931 2.931 3.835 -0.904 18518 13164 1 20 . 1 1 68 68 ARG C C 68 178.496 178.496 178.749 -0.253 18518 13165 1 20 . 1 1 68 68 ARG CA C 68 60.636 60.636 59.893 0.743 18518 13166 1 20 . 1 1 68 68 ARG CB C 68 30.440 30.440 29.881 0.559 18518 13167 1 20 . 1 1 68 68 ARG H H 68 8.438 8.438 8.333 0.105 18518 13168 1 20 . 1 1 69 69 ARG N N 69 116.511 116.511 119.368 -2.857 18518 13169 1 20 . 1 1 69 69 ARG HA H 69 4.134 4.134 4.005 0.129 18518 13170 1 20 . 1 1 69 69 ARG C C 69 180.262 180.262 178.948 1.314 18518 13171 1 20 . 1 1 69 69 ARG CA C 69 58.707 58.707 59.342 -0.635 18518 13172 1 20 . 1 1 69 69 ARG CB C 69 29.953 29.953 30.267 -0.314 18518 13173 1 20 . 1 1 69 69 ARG H H 69 7.497 7.497 8.381 -0.884 18518 13174 1 20 . 1 1 70 70 ARG N N 70 123.297 123.297 119.076 4.221 18518 13175 1 20 . 1 1 70 70 ARG HA H 70 4.016 4.016 4.127 -0.111 18518 13176 1 20 . 1 1 70 70 ARG C C 70 178.700 178.700 178.255 0.445 18518 13177 1 20 . 1 1 70 70 ARG CA C 70 59.460 59.460 58.579 0.881 18518 13178 1 20 . 1 1 70 70 ARG CB C 70 30.312 30.312 29.835 0.476 18518 13179 1 20 . 1 1 70 70 ARG H H 70 8.075 8.075 8.019 0.056 18518 13180 1 20 . 1 1 71 71 LEU N N 71 116.829 116.829 120.163 -3.334 18518 13181 1 20 . 1 1 71 71 LEU HA H 71 4.065 4.065 4.147 -0.082 18518 13182 1 20 . 1 1 71 71 LEU C C 71 174.956 174.956 176.221 -1.265 18518 13183 1 20 . 1 1 71 71 LEU CA C 71 55.126 55.126 55.608 -0.482 18518 13184 1 20 . 1 1 71 71 LEU CB C 71 43.246 43.246 42.285 0.961 18518 13185 1 20 . 1 1 71 71 LEU H H 71 7.719 7.719 8.087 -0.368 18518 13186 1 20 . 1 1 72 72 GLN N N 72 114.991 114.991 115.575 -0.584 18518 13187 1 20 . 1 1 72 72 GLN HA H 72 3.836 3.836 3.949 -0.113 18518 13188 1 20 . 1 1 72 72 GLN C C 72 175.683 175.683 175.116 0.567 18518 13189 1 20 . 1 1 72 72 GLN CA C 72 56.325 56.325 56.293 0.032 18518 13190 1 20 . 1 1 72 72 GLN CB C 72 26.004 26.004 25.738 0.266 18518 13191 1 20 . 1 1 72 72 GLN H H 72 7.744 7.744 7.503 0.241 18518 13192 1 20 . 1 1 73 73 LEU N N 73 115.045 115.045 119.623 -4.578 18518 13193 1 20 . 1 1 73 73 LEU HA H 73 4.236 4.236 4.128 0.108 18518 13194 1 20 . 1 1 73 73 LEU C C 73 178.762 178.762 177.108 1.654 18518 13195 1 20 . 1 1 73 73 LEU CA C 73 54.386 54.386 54.998 -0.612 18518 13196 1 20 . 1 1 73 73 LEU CB C 73 42.091 42.091 41.966 0.125 18518 13197 1 20 . 1 1 73 73 LEU H H 73 7.500 7.500 7.623 -0.123 18518 13198 1 20 . 1 1 74 74 ASN N N 74 121.700 121.700 122.929 -1.229 18518 13199 1 20 . 1 1 74 74 ASN HA H 74 4.690 4.690 4.524 0.166 18518 13200 1 20 . 1 1 74 74 ASN C C 74 176.617 176.617 175.774 0.843 18518 13201 1 20 . 1 1 74 74 ASN CA C 74 52.685 52.685 53.932 -1.247 18518 13202 1 20 . 1 1 74 74 ASN CB C 74 39.598 39.598 39.471 0.127 18518 13203 1 20 . 1 1 74 74 ASN H H 74 9.045 9.045 8.548 0.497 18518 13204 1 20 . 1 1 75 75 ALA N N 75 123.952 123.952 121.734 2.218 18518 13205 1 20 . 1 1 75 75 ALA HA H 75 3.964 3.964 4.302 -0.338 18518 13206 1 20 . 1 1 75 75 ALA C C 75 178.131 178.131 177.099 1.032 18518 13207 1 20 . 1 1 75 75 ALA CA C 75 54.868 54.868 53.418 1.450 18518 13208 1 20 . 1 1 75 75 ALA CB C 75 18.718 18.718 19.520 -0.802 18518 13209 1 20 . 1 1 75 75 ALA H H 75 8.784 8.784 8.492 0.292 18518 13210 1 20 . 1 1 76 76 ASN N N 76 112.295 112.295 115.194 -2.899 18518 13211 1 20 . 1 1 76 76 ASN HA H 76 4.580 4.580 4.747 -0.167 18518 13212 1 20 . 1 1 76 76 ASN C C 76 175.448 175.448 174.573 0.875 18518 13213 1 20 . 1 1 76 76 ASN CA C 76 53.214 53.214 53.094 0.120 18518 13214 1 20 . 1 1 76 76 ASN CB C 76 38.320 38.320 38.793 -0.473 18518 13215 1 20 . 1 1 76 76 ASN H H 76 8.391 8.391 8.136 0.255 18518 13216 1 20 . 1 1 77 77 GLN N N 77 120.577 120.577 118.982 1.595 18518 13217 1 20 . 1 1 77 77 GLN HA H 77 4.273 4.273 4.531 -0.258 18518 13218 1 20 . 1 1 77 77 GLN C C 77 175.045 175.045 173.798 1.247 18518 13219 1 20 . 1 1 77 77 GLN CA C 77 55.805 55.805 54.868 0.937 18518 13220 1 20 . 1 1 77 77 GLN CB C 77 30.157 30.157 30.961 -0.804 18518 13221 1 20 . 1 1 77 77 GLN H H 77 7.552 7.552 7.488 0.064 18518 13222 1 20 . 1 1 78 78 ALA N N 78 130.670 130.670 123.878 6.792 18518 13223 1 20 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.609 -0.438 18518 13224 1 20 . 1 1 78 78 ALA C C 78 176.512 176.512 175.808 0.704 18518 13225 1 20 . 1 1 78 78 ALA CA C 78 52.842 52.842 51.461 1.381 18518 13226 1 20 . 1 1 78 78 ALA CB C 78 20.060 20.060 20.659 -0.599 18518 13227 1 20 . 1 1 78 78 ALA H H 78 8.799 8.799 8.232 0.567 18518 13228 1 20 . 1 1 79 79 PHE N N 79 119.325 119.325 115.778 3.547 18518 13229 1 20 . 1 1 79 79 PHE HA H 79 4.434 4.434 4.806 -0.372 18518 13230 1 20 . 1 1 79 79 PHE C C 79 171.726 171.726 172.524 -0.798 18518 13231 1 20 . 1 1 79 79 PHE CA C 79 59.145 59.145 57.051 2.094 18518 13232 1 20 . 1 1 79 79 PHE CB C 79 42.171 42.171 41.153 1.018 18518 13233 1 20 . 1 1 79 79 PHE H H 79 7.664 7.664 7.815 -0.151 18518 13234 1 20 . 1 1 80 80 PHE N N 80 126.314 126.314 118.158 8.156 18518 13235 1 20 . 1 1 80 80 PHE HA H 80 4.392 4.392 4.619 -0.227 18518 13236 1 20 . 1 1 80 80 PHE C C 80 177.169 177.169 173.704 3.465 18518 13237 1 20 . 1 1 80 80 PHE CA C 80 56.653 56.653 56.841 -0.188 18518 13238 1 20 . 1 1 80 80 PHE CB C 80 41.933 41.933 43.098 -1.165 18518 13239 1 20 . 1 1 80 80 PHE H H 80 8.508 8.508 9.180 -0.672 18518 13240 1 20 . 1 1 81 81 LEU N N 81 121.426 121.426 124.010 -2.584 18518 13241 1 20 . 1 1 81 81 LEU HA H 81 4.851 4.851 5.036 -0.185 18518 13242 1 20 . 1 1 81 81 LEU C C 81 174.488 174.488 175.250 -0.762 18518 13243 1 20 . 1 1 81 81 LEU CA C 81 53.197 53.197 54.019 -0.822 18518 13244 1 20 . 1 1 81 81 LEU CB C 81 45.100 45.100 43.551 1.549 18518 13245 1 20 . 1 1 81 81 LEU H H 81 8.229 8.229 8.605 -0.376 18518 13246 1 20 . 1 1 82 82 LEU N N 82 125.155 125.155 127.283 -2.128 18518 13247 1 20 . 1 1 82 82 LEU HA H 82 4.833 4.833 4.689 0.144 18518 13248 1 20 . 1 1 82 82 LEU C C 82 177.166 177.166 175.636 1.530 18518 13249 1 20 . 1 1 82 82 LEU CA C 82 54.197 54.197 52.186 2.011 18518 13250 1 20 . 1 1 82 82 LEU CB C 82 43.442 43.442 42.775 0.667 18518 13251 1 20 . 1 1 82 82 LEU H H 82 9.400 9.400 9.154 0.246 18518 13252 1 20 . 1 1 83 83 VAL N N 83 123.886 123.886 122.685 1.201 18518 13253 1 20 . 1 1 83 83 VAL HA H 83 4.379 4.379 4.290 0.089 18518 13254 1 20 . 1 1 83 83 VAL C C 83 175.810 175.810 176.883 -1.073 18518 13255 1 20 . 1 1 83 83 VAL CA C 83 61.677 61.677 61.911 -0.234 18518 13256 1 20 . 1 1 83 83 VAL CB C 83 33.758 33.758 32.353 1.405 18518 13257 1 20 . 1 1 83 83 VAL H H 83 8.721 8.721 8.713 0.008 18518 13258 1 20 . 1 1 84 84 ASN N N 84 126.474 126.474 128.811 -2.337 18518 13259 1 20 . 1 1 84 84 ASN HA H 84 4.396 4.396 4.477 -0.081 18518 13260 1 20 . 1 1 84 84 ASN C C 84 175.164 175.164 175.034 0.130 18518 13261 1 20 . 1 1 84 84 ASN CA C 84 54.738 54.738 54.708 0.030 18518 13262 1 20 . 1 1 84 84 ASN CB C 84 37.950 37.950 37.566 0.384 18518 13263 1 20 . 1 1 84 84 ASN H H 84 9.707 9.707 9.359 0.348 18518 13264 1 20 . 1 1 85 85 GLY N N 85 101.296 101.296 104.783 -3.487 18518 13265 1 20 . 1 1 85 85 GLY C C 85 173.680 173.680 173.279 0.401 18518 13266 1 20 . 1 1 85 85 GLY CA C 85 45.603 45.603 44.869 0.734 18518 13267 1 20 . 1 1 85 85 GLY H H 85 8.644 8.644 8.394 0.250 18518 13268 1 20 . 1 1 86 86 HIS N N 86 117.238 117.238 118.228 -0.990 18518 13269 1 20 . 1 1 86 86 HIS HA H 86 5.017 5.017 4.957 0.060 18518 13270 1 20 . 1 1 86 86 HIS C C 86 173.841 173.841 174.176 -0.335 18518 13271 1 20 . 1 1 86 86 HIS CA C 86 53.796 53.796 54.415 -0.619 18518 13272 1 20 . 1 1 86 86 HIS CB C 86 31.280 31.280 32.765 -1.485 18518 13273 1 20 . 1 1 86 86 HIS H H 86 7.918 7.918 8.394 -0.476 18518 13274 1 20 . 1 1 87 87 SER N N 87 118.179 118.179 120.585 -2.406 18518 13275 1 20 . 1 1 87 87 SER HA H 87 4.699 4.699 4.483 0.216 18518 13276 1 20 . 1 1 87 87 SER C C 87 175.904 175.904 174.887 1.017 18518 13277 1 20 . 1 1 87 87 SER CA C 87 58.271 58.271 59.457 -1.186 18518 13278 1 20 . 1 1 87 87 SER CB C 87 63.735 63.735 62.173 1.562 18518 13279 1 20 . 1 1 87 87 SER H H 87 8.977 8.977 8.926 0.051 18518 13280 1 20 . 1 1 88 88 MET N N 88 125.472 125.472 123.872 1.600 18518 13281 1 20 . 1 1 88 88 MET HA H 88 4.830 4.830 4.740 0.089 18518 13282 1 20 . 1 1 88 88 MET C C 88 176.419 176.419 174.472 1.947 18518 13283 1 20 . 1 1 88 88 MET CA C 88 54.899 54.899 54.739 0.161 18518 13284 1 20 . 1 1 88 88 MET CB C 88 33.336 33.336 33.730 -0.395 18518 13285 1 20 . 1 1 88 88 MET H H 88 9.184 9.184 8.250 0.934 18518 13286 1 20 . 1 1 89 89 VAL N N 89 120.747 120.747 121.830 -1.083 18518 13287 1 20 . 1 1 89 89 VAL HA H 89 4.232 4.232 4.405 -0.173 18518 13288 1 20 . 1 1 89 89 VAL C C 89 175.958 175.958 174.626 1.332 18518 13289 1 20 . 1 1 89 89 VAL CA C 89 63.154 63.154 61.435 1.719 18518 13290 1 20 . 1 1 89 89 VAL CB C 89 31.878 31.878 33.346 -1.468 18518 13291 1 20 . 1 1 89 89 VAL H H 89 8.233 8.233 7.754 0.479 18518 13292 1 20 . 1 1 90 90 SER N N 90 117.362 117.362 123.832 -6.470 18518 13293 1 20 . 1 1 90 90 SER HA H 90 4.590 4.590 4.710 -0.120 18518 13294 1 20 . 1 1 90 90 SER C C 90 175.741 175.741 175.821 -0.080 18518 13295 1 20 . 1 1 90 90 SER CA C 90 57.717 57.717 56.977 0.740 18518 13296 1 20 . 1 1 90 90 SER CB C 90 63.223 63.223 64.520 -1.297 18518 13297 1 20 . 1 1 90 90 SER H H 90 8.482 8.482 8.462 0.020 18518 13298 1 20 . 1 1 91 91 VAL N N 91 120.466 120.466 120.672 -0.206 18518 13299 1 20 . 1 1 91 91 VAL HA H 91 4.047 4.047 3.753 0.294 18518 13300 1 20 . 1 1 91 91 VAL C C 91 176.329 176.329 176.471 -0.142 18518 13301 1 20 . 1 1 91 91 VAL CA C 91 63.492 63.492 64.701 -1.209 18518 13302 1 20 . 1 1 91 91 VAL CB C 91 32.568 32.568 31.340 1.228 18518 13303 1 20 . 1 1 91 91 VAL H H 91 8.188 8.188 8.739 -0.551 18518 13304 1 20 . 1 1 92 92 SER N N 92 116.398 116.398 115.326 1.072 18518 13305 1 20 . 1 1 92 92 SER HA H 92 4.636 4.636 4.522 0.114 18518 13306 1 20 . 1 1 92 92 SER C C 92 174.159 174.159 174.442 -0.283 18518 13307 1 20 . 1 1 92 92 SER CA C 92 57.805 57.805 58.886 -1.081 18518 13308 1 20 . 1 1 92 92 SER CB C 92 63.046 63.046 63.352 -0.306 18518 13309 1 20 . 1 1 92 92 SER H H 92 8.370 8.370 8.276 0.094 18518 13310 1 20 . 1 1 93 93 THR N N 93 119.211 119.211 119.273 -0.062 18518 13311 1 20 . 1 1 93 93 THR HA H 93 4.484 4.484 4.712 -0.228 18518 13312 1 20 . 1 1 93 93 THR CA C 93 60.884 60.884 60.336 0.548 18518 13313 1 20 . 1 1 93 93 THR CB C 93 70.609 70.609 69.302 1.307 18518 13314 1 20 . 1 1 93 93 THR H H 93 7.416 7.416 7.726 -0.310 18518 13315 1 20 . 1 1 94 94 PRO HA H 94 4.440 4.440 4.593 -0.153 18518 13316 1 20 . 1 1 94 94 PRO C C 94 178.775 178.775 176.917 1.858 18518 13317 1 20 . 1 1 94 94 PRO CA C 94 62.943 62.943 62.454 0.489 18518 13318 1 20 . 1 1 94 94 PRO CB C 94 32.649 32.649 32.448 0.201 18518 13319 1 20 . 1 1 95 95 ILE N N 95 124.174 124.174 123.809 0.365 18518 13320 1 20 . 1 1 95 95 ILE HA H 95 3.949 3.949 3.787 0.162 18518 13321 1 20 . 1 1 95 95 ILE C C 95 176.498 176.498 176.732 -0.234 18518 13322 1 20 . 1 1 95 95 ILE CA C 95 63.904 63.904 62.642 1.262 18518 13323 1 20 . 1 1 95 95 ILE CB C 95 38.182 38.182 38.195 -0.013 18518 13324 1 20 . 1 1 95 95 ILE H H 95 9.305 9.305 7.900 1.405 18518 13325 1 20 . 1 1 96 96 SER N N 96 116.920 116.920 116.452 0.468 18518 13326 1 20 . 1 1 96 96 SER HA H 96 4.029 4.029 4.130 -0.101 18518 13327 1 20 . 1 1 96 96 SER C C 96 176.574 176.574 176.253 0.321 18518 13328 1 20 . 1 1 96 96 SER CA C 96 61.356 61.356 62.454 -1.098 18518 13329 1 20 . 1 1 96 96 SER CB C 96 61.723 61.723 62.455 -0.732 18518 13330 1 20 . 1 1 96 96 SER H H 96 8.335 8.335 8.556 -0.221 18518 13331 1 20 . 1 1 97 97 GLU N N 97 123.255 123.255 122.570 0.685 18518 13332 1 20 . 1 1 97 97 GLU HA H 97 4.278 4.278 4.140 0.138 18518 13333 1 20 . 1 1 97 97 GLU C C 97 179.716 179.716 178.814 0.902 18518 13334 1 20 . 1 1 97 97 GLU CA C 97 58.792 58.792 58.797 -0.005 18518 13335 1 20 . 1 1 97 97 GLU CB C 97 29.562 29.562 29.271 0.291 18518 13336 1 20 . 1 1 97 97 GLU H H 97 7.376 7.376 7.752 -0.376 18518 13337 1 20 . 1 1 98 98 VAL N N 98 121.137 121.137 120.225 0.912 18518 13338 1 20 . 1 1 98 98 VAL HA H 98 3.802 3.802 3.688 0.114 18518 13339 1 20 . 1 1 98 98 VAL C C 98 177.637 177.637 177.964 -0.327 18518 13340 1 20 . 1 1 98 98 VAL CA C 98 65.824 65.824 67.224 -1.400 18518 13341 1 20 . 1 1 98 98 VAL CB C 98 32.154 32.154 31.378 0.775 18518 13342 1 20 . 1 1 98 98 VAL H H 98 7.387 7.387 7.821 -0.434 18518 13343 1 20 . 1 1 99 99 TYR N N 99 118.927 118.927 121.553 -2.626 18518 13344 1 20 . 1 1 99 99 TYR HA H 99 3.990 3.990 4.049 -0.059 18518 13345 1 20 . 1 1 99 99 TYR C C 99 176.081 176.081 176.959 -0.878 18518 13346 1 20 . 1 1 99 99 TYR CA C 99 62.223 62.223 61.650 0.573 18518 13347 1 20 . 1 1 99 99 TYR CB C 99 38.982 38.982 38.530 0.452 18518 13348 1 20 . 1 1 99 99 TYR H H 99 9.048 9.048 8.286 0.762 18518 13349 1 20 . 1 1 100 100 GLU N N 100 113.894 113.894 116.612 -2.718 18518 13350 1 20 . 1 1 100 100 GLU HA H 100 3.846 3.846 3.654 0.192 18518 13351 1 20 . 1 1 100 100 GLU C C 100 177.989 177.989 177.901 0.088 18518 13352 1 20 . 1 1 100 100 GLU CA C 100 59.087 59.087 58.266 0.821 18518 13353 1 20 . 1 1 100 100 GLU CB C 100 29.382 29.382 28.788 0.594 18518 13354 1 20 . 1 1 100 100 GLU H H 100 7.422 7.422 8.060 -0.638 18518 13355 1 20 . 1 1 101 101 SER N N 101 108.991 108.991 113.528 -4.537 18518 13356 1 20 . 1 1 101 101 SER HA H 101 4.524 4.524 4.374 0.150 18518 13357 1 20 . 1 1 101 101 SER C C 101 176.628 176.628 175.757 0.871 18518 13358 1 20 . 1 1 101 101 SER CA C 101 60.349 60.349 59.600 0.749 18518 13359 1 20 . 1 1 101 101 SER CB C 101 64.741 64.741 64.051 0.690 18518 13360 1 20 . 1 1 101 101 SER H H 101 7.424 7.424 7.737 -0.313 18518 13361 1 20 . 1 1 102 102 GLU N N 102 116.533 116.533 119.323 -2.790 18518 13362 1 20 . 1 1 102 102 GLU HA H 102 4.744 4.744 4.534 0.210 18518 13363 1 20 . 1 1 102 102 GLU C C 102 176.774 176.774 176.180 0.594 18518 13364 1 20 . 1 1 102 102 GLU CA C 102 55.581 55.581 54.936 0.645 18518 13365 1 20 . 1 1 102 102 GLU CB C 102 30.697 30.697 30.476 0.221 18518 13366 1 20 . 1 1 102 102 GLU H H 102 8.487 8.487 7.973 0.514 18518 13367 1 20 . 1 1 103 103 LYS N N 103 118.370 118.370 119.383 -1.013 18518 13368 1 20 . 1 1 103 103 LYS HA H 103 4.178 4.178 3.989 0.189 18518 13369 1 20 . 1 1 103 103 LYS C C 103 175.018 175.018 176.732 -1.714 18518 13370 1 20 . 1 1 103 103 LYS CA C 103 57.329 57.329 56.877 0.452 18518 13371 1 20 . 1 1 103 103 LYS CB C 103 32.186 32.186 31.659 0.527 18518 13372 1 20 . 1 1 103 103 LYS H H 103 7.831 7.831 7.582 0.249 18518 13373 1 20 . 1 1 104 104 ASP N N 104 123.500 123.500 124.463 -0.963 18518 13374 1 20 . 1 1 104 104 ASP HA H 104 4.755 4.755 4.574 0.181 18518 13375 1 20 . 1 1 104 104 ASP C C 104 177.383 177.383 177.938 -0.555 18518 13376 1 20 . 1 1 104 104 ASP CA C 104 53.846 53.846 54.337 -0.491 18518 13377 1 20 . 1 1 104 104 ASP CB C 104 43.411 43.411 42.113 1.298 18518 13378 1 20 . 1 1 104 104 ASP H H 104 9.041 9.041 8.335 0.706 18518 13379 1 20 . 1 1 105 105 GLU N N 105 125.448 125.448 120.194 5.254 18518 13380 1 20 . 1 1 105 105 GLU HA H 105 4.180 4.180 4.070 0.110 18518 13381 1 20 . 1 1 105 105 GLU C C 105 177.519 177.519 176.424 1.095 18518 13382 1 20 . 1 1 105 105 GLU CA C 105 59.529 59.529 59.026 0.502 18518 13383 1 20 . 1 1 105 105 GLU CB C 105 30.044 30.044 29.508 0.536 18518 13384 1 20 . 1 1 105 105 GLU H H 105 8.906 8.906 8.883 0.023 18518 13385 1 20 . 1 1 106 106 ASP N N 106 118.824 118.824 118.144 0.680 18518 13386 1 20 . 1 1 106 106 ASP HA H 106 4.179 4.179 4.635 -0.456 18518 13387 1 20 . 1 1 106 106 ASP C C 106 176.223 176.223 177.126 -0.903 18518 13388 1 20 . 1 1 106 106 ASP CA C 106 54.756 54.756 54.069 0.687 18518 13389 1 20 . 1 1 106 106 ASP CB C 106 39.999 39.999 40.337 -0.337 18518 13390 1 20 . 1 1 106 106 ASP H H 106 10.036 10.036 8.076 1.960 18518 13391 1 20 . 1 1 107 107 GLY N N 107 105.866 105.866 106.472 -0.606 18518 13392 1 20 . 1 1 107 107 GLY C C 107 175.136 175.136 173.646 1.490 18518 13393 1 20 . 1 1 107 107 GLY CA C 107 45.222 45.222 45.402 -0.180 18518 13394 1 20 . 1 1 107 107 GLY H H 107 8.001 8.001 8.028 -0.027 18518 13395 1 20 . 1 1 108 108 PHE N N 108 123.820 123.820 121.386 2.434 18518 13396 1 20 . 1 1 108 108 PHE HA H 108 4.662 4.662 5.063 -0.401 18518 13397 1 20 . 1 1 108 108 PHE C C 108 174.899 174.899 174.028 0.871 18518 13398 1 20 . 1 1 108 108 PHE CA C 108 60.238 60.238 55.256 4.982 18518 13399 1 20 . 1 1 108 108 PHE CB C 108 40.365 40.365 41.101 -0.736 18518 13400 1 20 . 1 1 108 108 PHE H H 108 9.912 9.912 7.783 2.129 18518 13401 1 20 . 1 1 109 109 LEU N N 109 120.130 120.130 124.388 -4.258 18518 13402 1 20 . 1 1 109 109 LEU HA H 109 5.030 5.030 4.643 0.387 18518 13403 1 20 . 1 1 109 109 LEU C C 109 173.916 173.916 174.857 -0.941 18518 13404 1 20 . 1 1 109 109 LEU CA C 109 53.424 53.424 53.931 -0.507 18518 13405 1 20 . 1 1 109 109 LEU CB C 109 45.203 45.203 43.675 1.528 18518 13406 1 20 . 1 1 109 109 LEU H H 109 7.997 7.997 8.568 -0.571 18518 13407 1 20 . 1 1 110 110 TYR N N 110 126.579 126.579 125.424 1.155 18518 13408 1 20 . 1 1 110 110 TYR HA H 110 5.003 5.003 4.554 0.449 18518 13409 1 20 . 1 1 110 110 TYR C C 110 176.671 176.671 174.759 1.912 18518 13410 1 20 . 1 1 110 110 TYR CA C 110 59.058 59.058 56.776 2.282 18518 13411 1 20 . 1 1 110 110 TYR CB C 110 39.556 39.556 38.537 1.019 18518 13412 1 20 . 1 1 110 110 TYR H H 110 9.377 9.377 8.878 0.499 18518 13413 1 20 . 1 1 111 111 MET N N 111 119.240 119.240 121.041 -1.801 18518 13414 1 20 . 1 1 111 111 MET HA H 111 5.486 5.486 5.152 0.334 18518 13415 1 20 . 1 1 111 111 MET C C 111 175.695 175.695 174.604 1.091 18518 13416 1 20 . 1 1 111 111 MET CA C 111 54.124 54.124 54.857 -0.733 18518 13417 1 20 . 1 1 111 111 MET CB C 111 36.960 36.960 37.586 -0.626 18518 13418 1 20 . 1 1 111 111 MET H H 111 9.658 9.658 8.739 0.919 18518 13419 1 20 . 1 1 112 112 VAL N N 112 119.865 119.865 119.013 0.852 18518 13420 1 20 . 1 1 112 112 VAL HA H 112 5.963 5.963 5.424 0.539 18518 13421 1 20 . 1 1 112 112 VAL C C 112 175.058 175.058 174.670 0.388 18518 13422 1 20 . 1 1 112 112 VAL CA C 112 58.911 58.911 59.985 -1.074 18518 13423 1 20 . 1 1 112 112 VAL CB C 112 36.051 36.051 35.256 0.795 18518 13424 1 20 . 1 1 112 112 VAL H H 112 8.794 8.794 9.134 -0.340 18518 13425 1 20 . 1 1 113 113 TYR N N 113 119.664 119.664 121.233 -1.569 18518 13426 1 20 . 1 1 113 113 TYR HA H 113 6.118 6.118 5.755 0.363 18518 13427 1 20 . 1 1 113 113 TYR C C 113 173.375 173.375 173.385 -0.010 18518 13428 1 20 . 1 1 113 113 TYR CA C 113 54.153 54.153 55.191 -1.038 18518 13429 1 20 . 1 1 113 113 TYR CB C 113 43.312 43.312 42.046 1.266 18518 13430 1 20 . 1 1 113 113 TYR H H 113 8.315 8.315 8.572 -0.257 18518 13431 1 20 . 1 1 114 114 ALA N N 114 119.763 119.763 122.501 -2.738 18518 13432 1 20 . 1 1 114 114 ALA HA H 114 4.800 4.800 5.015 -0.215 18518 13433 1 20 . 1 1 114 114 ALA C C 114 176.216 176.216 175.295 0.921 18518 13434 1 20 . 1 1 114 114 ALA CA C 114 51.132 51.132 51.783 -0.651 18518 13435 1 20 . 1 1 114 114 ALA CB C 114 24.596 24.596 22.264 2.332 18518 13436 1 20 . 1 1 114 114 ALA H H 114 8.465 8.465 9.008 -0.543 18518 13437 1 20 . 1 1 115 115 SER N N 115 114.763 114.763 115.862 -1.099 18518 13438 1 20 . 1 1 115 115 SER HA H 115 4.496 4.496 4.880 -0.384 18518 13439 1 20 . 1 1 115 115 SER C C 115 172.671 172.671 173.628 -0.957 18518 13440 1 20 . 1 1 115 115 SER CA C 115 58.651 58.651 57.387 1.264 18518 13441 1 20 . 1 1 115 115 SER CB C 115 63.526 63.526 61.679 1.847 18518 13442 1 20 . 1 1 115 115 SER H H 115 9.915 9.915 8.843 1.072 18518 13443 1 20 . 1 1 116 116 GLN N N 116 116.611 116.611 123.770 -7.159 18518 13444 1 20 . 1 1 116 116 GLN HA H 116 4.484 4.484 4.322 0.162 18518 13445 1 20 . 1 1 116 116 GLN C C 116 172.733 172.733 173.572 -0.839 18518 13446 1 20 . 1 1 116 116 GLN CA C 116 53.926 53.926 55.534 -1.608 18518 13447 1 20 . 1 1 116 116 GLN CB C 116 32.358 32.358 30.832 1.526 18518 13448 1 20 . 1 1 116 116 GLN H H 116 7.219 7.219 7.917 -0.698 18518 13449 1 20 . 1 1 117 117 GLU N N 117 117.623 117.623 120.683 -3.060 18518 13450 1 20 . 1 1 117 117 GLU HA H 117 3.287 3.287 1.983 1.304 18518 13451 1 20 . 1 1 117 117 GLU C C 117 175.168 175.168 175.309 -0.141 18518 13452 1 20 . 1 1 117 117 GLU CA C 117 56.882 56.882 57.358 -0.477 18518 13453 1 20 . 1 1 117 117 GLU CB C 117 30.522 30.522 29.709 0.813 18518 13454 1 20 . 1 1 117 117 GLU H H 117 7.882 7.882 8.409 -0.527 18518 13455 1 20 . 1 1 118 118 THR N N 118 109.820 109.820 109.324 0.496 18518 13456 1 20 . 1 1 118 118 THR HA H 118 4.066 4.066 4.070 -0.004 18518 13457 1 20 . 1 1 118 118 THR C C 118 172.355 172.355 173.318 -0.963 18518 13458 1 20 . 1 1 118 118 THR CA C 118 60.029 60.029 60.435 -0.406 18518 13459 1 20 . 1 1 118 118 THR CB C 118 70.480 70.480 69.280 1.200 18518 13460 1 20 . 1 1 118 118 THR H H 118 6.992 6.992 7.152 -0.160 18518 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 110 2.745 0.557 2.700 18518 2 1 1 "Average Difference" HA 121 0.280 0.044 0.277 18518 3 1 1 "Average Difference" C 109 1.058 -0.112 1.057 18518 4 1 1 "Average Difference" CA 117 0.996 -0.101 0.996 18518 5 1 1 "Average Difference" CB 113 1.073 -0.317 1.030 18518 6 1 1 "Average Difference" HN 111 0.572 -0.085 0.568 18518 7 1 2 "Average Difference" N 110 2.957 0.223 2.962 18518 8 1 2 "Average Difference" HA 121 0.283 0.039 0.281 18518 9 1 2 "Average Difference" C 109 1.111 -0.108 1.111 18518 10 1 2 "Average Difference" CA 117 1.049 -0.073 1.051 18518 11 1 2 "Average Difference" CB 113 0.991 -0.277 0.956 18518 12 1 2 "Average Difference" HN 111 0.579 -0.105 0.572 18518 13 1 3 "Average Difference" N 110 2.670 0.185 2.676 18518 14 1 3 "Average Difference" HA 121 0.280 0.024 0.280 18518 15 1 3 "Average Difference" C 109 1.077 -0.139 1.073 18518 16 1 3 "Average Difference" CA 117 0.990 -0.037 0.994 18518 17 1 3 "Average Difference" CB 113 0.991 -0.226 0.969 18518 18 1 3 "Average Difference" HN 111 0.543 -0.079 0.539 18518 19 1 4 "Average Difference" N 110 2.606 0.317 2.598 18518 20 1 4 "Average Difference" HA 121 0.262 0.027 0.262 18518 21 1 4 "Average Difference" C 109 1.021 -0.071 1.023 18518 22 1 4 "Average Difference" CA 117 1.038 -0.013 1.043 18518 23 1 4 "Average Difference" CB 113 0.965 -0.276 0.929 18518 24 1 4 "Average Difference" HN 111 0.547 -0.077 0.544 18518 25 1 5 "Average Difference" N 110 2.874 0.129 2.884 18518 26 1 5 "Average Difference" HA 121 0.283 0.046 0.280 18518 27 1 5 "Average Difference" C 109 1.095 -0.071 1.098 18518 28 1 5 "Average Difference" CA 117 1.019 -0.071 1.021 18518 29 1 5 "Average Difference" CB 113 1.035 -0.219 1.016 18518 30 1 5 "Average Difference" HN 111 0.577 -0.106 0.570 18518 31 1 6 "Average Difference" N 110 2.702 0.299 2.697 18518 32 1 6 "Average Difference" HA 121 0.255 0.025 0.255 18518 33 1 6 "Average Difference" C 109 1.065 -0.093 1.066 18518 34 1 6 "Average Difference" CA 117 1.125 -0.019 1.130 18518 35 1 6 "Average Difference" CB 113 1.001 -0.287 0.963 18518 36 1 6 "Average Difference" HN 111 0.568 -0.110 0.560 18518 37 1 7 "Average Difference" N 110 2.723 0.340 2.714 18518 38 1 7 "Average Difference" HA 121 0.294 0.022 0.295 18518 39 1 7 "Average Difference" C 109 1.081 -0.126 1.079 18518 40 1 7 "Average Difference" CA 117 0.980 -0.019 0.984 18518 41 1 7 "Average Difference" CB 113 1.004 -0.295 0.964 18518 42 1 7 "Average Difference" HN 111 0.530 -0.103 0.522 18518 43 1 8 "Average Difference" N 110 2.839 0.190 2.845 18518 44 1 8 "Average Difference" HA 121 0.284 0.038 0.283 18518 45 1 8 "Average Difference" C 109 1.074 -0.116 1.073 18518 46 1 8 "Average Difference" CA 117 1.030 -0.040 1.034 18518 47 1 8 "Average Difference" CB 113 1.013 -0.270 0.981 18518 48 1 8 "Average Difference" HN 111 0.538 -0.069 0.536 18518 49 1 9 "Average Difference" N 110 2.846 0.387 2.833 18518 50 1 9 "Average Difference" HA 121 0.282 0.005 0.284 18518 51 1 9 "Average Difference" C 109 1.097 -0.092 1.099 18518 52 1 9 "Average Difference" CA 117 1.094 0.009 1.099 18518 53 1 9 "Average Difference" CB 113 1.016 -0.284 0.980 18518 54 1 9 "Average Difference" HN 111 0.583 -0.137 0.569 18518 55 1 10 "Average Difference" N 110 2.922 0.383 2.910 18518 56 1 10 "Average Difference" HA 121 0.266 0.013 0.267 18518 57 1 10 "Average Difference" C 109 1.090 -0.100 1.091 18518 58 1 10 "Average Difference" CA 117 0.975 -0.096 0.974 18518 59 1 10 "Average Difference" CB 113 1.046 -0.303 1.005 18518 60 1 10 "Average Difference" HN 111 0.596 -0.092 0.591 18518 61 1 11 "Average Difference" N 110 2.810 0.272 2.810 18518 62 1 11 "Average Difference" HA 121 0.261 0.020 0.261 18518 63 1 11 "Average Difference" C 109 1.095 -0.094 1.096 18518 64 1 11 "Average Difference" CA 117 0.998 -0.002 1.003 18518 65 1 11 "Average Difference" CB 113 0.976 -0.252 0.948 18518 66 1 11 "Average Difference" HN 111 0.575 -0.084 0.571 18518 67 1 12 "Average Difference" N 110 2.700 0.300 2.696 18518 68 1 12 "Average Difference" HA 121 0.275 0.024 0.275 18518 69 1 12 "Average Difference" C 109 1.054 -0.102 1.054 18518 70 1 12 "Average Difference" CA 117 1.017 -0.062 1.020 18518 71 1 12 "Average Difference" CB 113 0.979 -0.271 0.945 18518 72 1 12 "Average Difference" HN 111 0.551 -0.081 0.548 18518 73 1 13 "Average Difference" N 110 2.757 0.410 2.739 18518 74 1 13 "Average Difference" HA 121 0.265 0.023 0.265 18518 75 1 13 "Average Difference" C 109 1.055 -0.090 1.056 18518 76 1 13 "Average Difference" CA 117 1.079 -0.085 1.081 18518 77 1 13 "Average Difference" CB 113 1.067 -0.200 1.052 18518 78 1 13 "Average Difference" HN 111 0.567 -0.086 0.563 18518 79 1 14 "Average Difference" N 110 2.593 0.371 2.578 18518 80 1 14 "Average Difference" HA 121 0.270 0.010 0.271 18518 81 1 14 "Average Difference" C 109 1.054 -0.054 1.057 18518 82 1 14 "Average Difference" CA 117 1.040 0.024 1.044 18518 83 1 14 "Average Difference" CB 113 1.037 -0.301 0.997 18518 84 1 14 "Average Difference" HN 111 0.580 -0.075 0.578 18518 85 1 15 "Average Difference" N 110 2.851 0.563 2.808 18518 86 1 15 "Average Difference" HA 121 0.302 0.026 0.302 18518 87 1 15 "Average Difference" C 109 1.042 -0.083 1.044 18518 88 1 15 "Average Difference" CA 117 1.097 -0.040 1.101 18518 89 1 15 "Average Difference" CB 113 1.082 -0.336 1.033 18518 90 1 15 "Average Difference" HN 111 0.575 -0.096 0.570 18518 91 1 16 "Average Difference" N 110 2.656 0.386 2.640 18518 92 1 16 "Average Difference" HA 121 0.277 0.005 0.279 18518 93 1 16 "Average Difference" C 109 1.048 -0.099 1.048 18518 94 1 16 "Average Difference" CA 117 1.064 -0.014 1.069 18518 95 1 16 "Average Difference" CB 113 1.080 -0.247 1.056 18518 96 1 16 "Average Difference" HN 111 0.528 -0.094 0.522 18518 97 1 17 "Average Difference" N 110 2.682 0.182 2.688 18518 98 1 17 "Average Difference" HA 121 0.274 0.033 0.273 18518 99 1 17 "Average Difference" C 109 1.091 -0.137 1.088 18518 100 1 17 "Average Difference" CA 117 1.115 -0.076 1.117 18518 101 1 17 "Average Difference" CB 113 1.049 -0.257 1.022 18518 102 1 17 "Average Difference" HN 111 0.594 -0.113 0.585 18518 103 1 18 "Average Difference" N 110 2.768 0.487 2.738 18518 104 1 18 "Average Difference" HA 121 0.284 0.043 0.282 18518 105 1 18 "Average Difference" C 109 1.037 -0.057 1.041 18518 106 1 18 "Average Difference" CA 117 1.035 -0.046 1.038 18518 107 1 18 "Average Difference" CB 113 0.949 -0.280 0.911 18518 108 1 18 "Average Difference" HN 111 0.551 -0.047 0.552 18518 109 1 19 "Average Difference" N 110 2.794 0.315 2.789 18518 110 1 19 "Average Difference" HA 121 0.288 0.035 0.287 18518 111 1 19 "Average Difference" C 109 1.060 -0.065 1.063 18518 112 1 19 "Average Difference" CA 117 1.011 -0.082 1.012 18518 113 1 19 "Average Difference" CB 113 0.927 -0.228 0.903 18518 114 1 19 "Average Difference" HN 111 0.539 -0.077 0.536 18518 115 1 20 "Average Difference" N 110 2.639 0.433 2.615 18518 116 1 20 "Average Difference" HA 121 0.286 -0.006 0.287 18518 117 1 20 "Average Difference" C 109 1.047 -0.100 1.047 18518 118 1 20 "Average Difference" CA 117 1.119 -0.081 1.121 18518 119 1 20 "Average Difference" CB 113 1.004 -0.310 0.959 18518 120 1 20 "Average Difference" HN 111 0.553 -0.082 0.550 18518 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 18518 _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 HA H 2 4.336 4.336 5.019 -0.683 18518 2 1 . 1 1 2 2 ALA C C 2 177.974 177.974 176.558 1.416 18518 3 1 . 1 1 2 2 ALA CA C 2 52.785 52.785 51.804 0.981 18518 4 1 . 1 1 2 2 ALA CB C 2 19.444 19.444 20.275 -0.831 18518 5 1 . 1 1 3 3 MET N N 3 119.311 119.311 121.049 -1.738 18518 6 1 . 1 1 3 3 MET HA H 3 4.451 4.451 4.713 -0.262 18518 7 1 . 1 1 3 3 MET C C 3 176.913 176.913 175.651 1.262 18518 8 1 . 1 1 3 3 MET CA C 3 55.679 55.679 55.032 0.647 18518 9 1 . 1 1 3 3 MET CB C 3 32.590 32.590 34.965 -2.374 18518 10 1 . 1 1 3 3 MET H H 3 8.638 8.638 8.572 0.066 18518 11 1 . 1 1 4 4 GLY N N 4 110.281 110.281 110.514 -0.233 18518 12 1 . 1 1 4 4 GLY C C 4 174.180 174.180 173.892 0.288 18518 13 1 . 1 1 4 4 GLY CA C 4 45.495 45.495 44.856 0.639 18518 14 1 . 1 1 4 4 GLY H H 4 8.552 8.552 8.517 0.035 18518 15 1 . 1 1 5 5 LYS N N 5 120.818 120.818 125.059 -4.241 18518 16 1 . 1 1 5 5 LYS HA H 5 4.509 4.509 4.445 0.064 18518 17 1 . 1 1 5 5 LYS C C 5 177.605 177.605 176.601 1.004 18518 18 1 . 1 1 5 5 LYS CA C 5 56.134 56.134 55.577 0.557 18518 19 1 . 1 1 5 5 LYS CB C 5 34.813 34.813 32.932 1.881 18518 20 1 . 1 1 5 5 LYS H H 5 8.133 8.133 8.185 -0.052 18518 21 1 . 1 1 6 6 THR N N 6 114.781 114.781 116.773 -1.992 18518 22 1 . 1 1 6 6 THR HA H 6 4.421 4.421 4.390 0.031 18518 23 1 . 1 1 6 6 THR C C 6 175.524 175.524 175.852 -0.328 18518 24 1 . 1 1 6 6 THR CA C 6 61.127 61.127 61.328 -0.201 18518 25 1 . 1 1 6 6 THR CB C 6 69.926 69.926 70.100 -0.174 18518 26 1 . 1 1 6 6 THR H H 6 8.483 8.483 8.200 0.283 18518 27 1 . 1 1 7 7 PHE N N 7 125.552 125.552 121.333 4.219 18518 28 1 . 1 1 7 7 PHE HA H 7 4.005 4.005 4.142 -0.137 18518 29 1 . 1 1 7 7 PHE C C 7 177.397 177.397 176.912 0.485 18518 30 1 . 1 1 7 7 PHE CA C 7 63.393 63.393 61.170 2.223 18518 31 1 . 1 1 7 7 PHE CB C 7 39.567 39.567 38.174 1.393 18518 32 1 . 1 1 7 7 PHE H H 7 10.245 10.245 9.039 1.206 18518 33 1 . 1 1 8 8 LYS N N 8 114.053 114.053 117.690 -3.637 18518 34 1 . 1 1 8 8 LYS HA H 8 3.835 3.835 3.798 0.037 18518 35 1 . 1 1 8 8 LYS C C 8 175.520 175.520 178.445 -2.925 18518 36 1 . 1 1 8 8 LYS CA C 8 59.993 59.993 58.355 1.638 18518 37 1 . 1 1 8 8 LYS CB C 8 33.689 33.689 31.392 2.298 18518 38 1 . 1 1 8 8 LYS H H 8 8.775 8.775 6.997 1.778 18518 39 1 . 1 1 9 9 GLN N N 9 113.516 113.516 117.897 -4.381 18518 40 1 . 1 1 9 9 GLN HA H 9 4.149 4.149 4.111 0.038 18518 41 1 . 1 1 9 9 GLN C C 9 177.615 177.615 177.787 -0.172 18518 42 1 . 1 1 9 9 GLN CA C 9 56.819 56.819 58.073 -1.254 18518 43 1 . 1 1 9 9 GLN CB C 9 30.019 30.019 28.955 1.064 18518 44 1 . 1 1 9 9 GLN H H 9 7.355 7.355 7.586 -0.231 18518 45 1 . 1 1 10 10 ARG N N 10 118.294 118.294 116.747 1.547 18518 46 1 . 1 1 10 10 ARG HA H 10 4.302 4.302 4.225 0.077 18518 47 1 . 1 1 10 10 ARG C C 10 179.380 179.380 177.063 2.317 18518 48 1 . 1 1 10 10 ARG CA C 10 57.268 57.268 57.204 0.064 18518 49 1 . 1 1 10 10 ARG CB C 10 31.642 31.642 30.753 0.889 18518 50 1 . 1 1 10 10 ARG H H 10 7.936 7.936 7.794 0.142 18518 51 1 . 1 1 11 11 ARG N N 11 121.137 121.137 119.778 1.359 18518 52 1 . 1 1 11 11 ARG HA H 11 4.680 4.680 4.719 -0.039 18518 53 1 . 1 1 11 11 ARG CA C 11 53.453 53.453 54.375 -0.922 18518 54 1 . 1 1 11 11 ARG CB C 11 32.938 32.938 32.064 0.874 18518 55 1 . 1 1 11 11 ARG H H 11 7.390 7.390 7.647 -0.257 18518 56 1 . 1 1 12 12 THR N N 12 116.819 116.819 119.597 -2.778 18518 57 1 . 1 1 12 12 THR HA H 12 4.359 4.359 4.309 0.050 18518 58 1 . 1 1 12 12 THR C C 12 174.989 174.989 176.058 -1.069 18518 59 1 . 1 1 12 12 THR CA C 12 61.748 61.748 62.824 -1.076 18518 60 1 . 1 1 12 12 THR CB C 12 71.068 71.068 70.063 1.005 18518 61 1 . 1 1 12 12 THR H H 12 8.953 8.953 8.543 0.411 18518 62 1 . 1 1 13 13 PHE N N 13 123.200 123.200 123.309 -0.109 18518 63 1 . 1 1 13 13 PHE HA H 13 4.028 4.028 4.197 -0.169 18518 64 1 . 1 1 13 13 PHE C C 13 176.029 176.029 177.063 -1.034 18518 65 1 . 1 1 13 13 PHE CA C 13 62.864 62.864 62.585 0.279 18518 66 1 . 1 1 13 13 PHE CB C 13 39.560 39.560 39.301 0.259 18518 67 1 . 1 1 13 13 PHE H H 13 9.284 9.284 8.984 0.300 18518 68 1 . 1 1 14 14 GLU N N 14 115.414 115.414 117.977 -2.563 18518 69 1 . 1 1 14 14 GLU HA H 14 3.794 3.794 3.969 -0.175 18518 70 1 . 1 1 14 14 GLU C C 14 180.081 180.081 179.040 1.041 18518 71 1 . 1 1 14 14 GLU CA C 14 60.619 60.619 59.978 0.641 18518 72 1 . 1 1 14 14 GLU CB C 14 28.852 28.852 28.882 -0.030 18518 73 1 . 1 1 14 14 GLU H H 14 8.973 8.973 8.815 0.158 18518 74 1 . 1 1 15 15 GLN N N 15 119.276 119.276 118.373 0.903 18518 75 1 . 1 1 15 15 GLN HA H 15 4.000 4.000 4.136 -0.136 18518 76 1 . 1 1 15 15 GLN C C 15 177.978 177.978 178.697 -0.719 18518 77 1 . 1 1 15 15 GLN CA C 15 58.835 58.835 58.701 0.134 18518 78 1 . 1 1 15 15 GLN CB C 15 29.370 29.370 28.264 1.107 18518 79 1 . 1 1 15 15 GLN H H 15 7.756 7.756 8.252 -0.496 18518 80 1 . 1 1 16 16 ARG N N 16 121.336 121.336 120.475 0.862 18518 81 1 . 1 1 16 16 ARG HA H 16 4.270 4.270 4.189 0.081 18518 82 1 . 1 1 16 16 ARG C C 16 177.416 177.416 178.713 -1.297 18518 83 1 . 1 1 16 16 ARG CA C 16 61.375 61.375 59.705 1.670 18518 84 1 . 1 1 16 16 ARG CB C 16 30.605 30.605 30.289 0.316 18518 85 1 . 1 1 16 16 ARG H H 16 8.645 8.645 8.057 0.588 18518 86 1 . 1 1 17 17 VAL N N 17 117.630 117.630 119.582 -1.952 18518 87 1 . 1 1 17 17 VAL HA H 17 3.857 3.857 3.673 0.184 18518 88 1 . 1 1 17 17 VAL C C 17 179.748 179.748 177.588 2.160 18518 89 1 . 1 1 17 17 VAL CA C 17 65.726 65.726 65.985 -0.259 18518 90 1 . 1 1 17 17 VAL CB C 17 32.194 32.194 31.601 0.593 18518 91 1 . 1 1 17 17 VAL H H 17 8.373 8.373 8.185 0.188 18518 92 1 . 1 1 18 18 GLU N N 18 120.864 120.864 119.822 1.042 18518 93 1 . 1 1 18 18 GLU HA H 18 4.302 4.302 3.932 0.370 18518 94 1 . 1 1 18 18 GLU C C 18 177.728 177.728 178.494 -0.766 18518 95 1 . 1 1 18 18 GLU CA C 18 58.486 58.486 59.889 -1.403 18518 96 1 . 1 1 18 18 GLU CB C 18 29.382 29.382 29.372 0.010 18518 97 1 . 1 1 18 18 GLU H H 18 7.368 7.368 8.160 -0.792 18518 98 1 . 1 1 19 19 ASP N N 19 121.425 121.425 120.176 1.249 18518 99 1 . 1 1 19 19 ASP HA H 19 4.434 4.434 4.430 0.004 18518 100 1 . 1 1 19 19 ASP C C 19 179.978 179.978 178.630 1.348 18518 101 1 . 1 1 19 19 ASP CA C 19 57.422 57.422 57.328 0.094 18518 102 1 . 1 1 19 19 ASP CB C 19 41.287 41.287 40.811 0.476 18518 103 1 . 1 1 19 19 ASP H H 19 8.671 8.671 8.049 0.622 18518 104 1 . 1 1 20 20 VAL N N 20 119.730 119.730 120.024 -0.294 18518 105 1 . 1 1 20 20 VAL HA H 20 3.205 3.205 3.383 -0.178 18518 106 1 . 1 1 20 20 VAL C C 20 176.284 176.284 177.635 -1.351 18518 107 1 . 1 1 20 20 VAL CA C 20 66.315 66.315 66.348 -0.033 18518 108 1 . 1 1 20 20 VAL CB C 20 31.107 31.107 31.297 -0.190 18518 109 1 . 1 1 20 20 VAL H H 20 7.999 7.999 8.029 -0.030 18518 110 1 . 1 1 21 21 ARG N N 21 121.455 121.455 119.660 1.795 18518 111 1 . 1 1 21 21 ARG HA H 21 3.814 3.814 3.959 -0.145 18518 112 1 . 1 1 21 21 ARG C C 21 180.120 180.120 178.656 1.464 18518 113 1 . 1 1 21 21 ARG CA C 21 59.830 59.830 58.864 0.966 18518 114 1 . 1 1 21 21 ARG CB C 21 29.946 29.946 29.145 0.800 18518 115 1 . 1 1 21 21 ARG H H 21 8.098 8.098 8.016 0.082 18518 116 1 . 1 1 22 22 LEU N N 22 117.826 117.826 121.182 -3.356 18518 117 1 . 1 1 22 22 LEU HA H 22 4.049 4.049 4.032 0.017 18518 118 1 . 1 1 22 22 LEU C C 22 180.115 180.115 178.655 1.460 18518 119 1 . 1 1 22 22 LEU CA C 22 57.790 57.790 57.963 -0.173 18518 120 1 . 1 1 22 22 LEU CB C 22 42.142 42.142 41.694 0.448 18518 121 1 . 1 1 22 22 LEU H H 22 8.207 8.207 8.114 0.093 18518 122 1 . 1 1 23 23 ILE N N 23 121.450 121.450 119.354 2.096 18518 123 1 . 1 1 23 23 ILE HA H 23 4.013 4.013 3.732 0.281 18518 124 1 . 1 1 23 23 ILE C C 23 178.149 178.149 178.186 -0.037 18518 125 1 . 1 1 23 23 ILE CA C 23 62.171 62.171 64.273 -2.102 18518 126 1 . 1 1 23 23 ILE CB C 23 38.106 38.106 37.308 0.798 18518 127 1 . 1 1 23 23 ILE H H 23 8.105 8.105 8.149 -0.044 18518 128 1 . 1 1 24 24 ARG N N 24 121.139 121.139 118.943 2.196 18518 129 1 . 1 1 24 24 ARG HA H 24 3.987 3.987 4.103 -0.116 18518 130 1 . 1 1 24 24 ARG C C 24 178.702 178.702 178.849 -0.147 18518 131 1 . 1 1 24 24 ARG CA C 24 57.718 57.718 58.909 -1.191 18518 132 1 . 1 1 24 24 ARG CB C 24 28.769 28.769 29.715 -0.946 18518 133 1 . 1 1 24 24 ARG H H 24 8.601 8.601 8.353 0.248 18518 134 1 . 1 1 25 25 GLU N N 25 118.054 118.054 119.144 -1.090 18518 135 1 . 1 1 25 25 GLU HA H 25 4.026 4.026 4.134 -0.108 18518 136 1 . 1 1 25 25 GLU C C 25 178.492 178.492 178.390 0.102 18518 137 1 . 1 1 25 25 GLU CA C 25 58.780 58.780 58.505 0.275 18518 138 1 . 1 1 25 25 GLU CB C 25 30.001 30.001 29.616 0.385 18518 139 1 . 1 1 25 25 GLU H H 25 7.423 7.423 7.810 -0.387 18518 140 1 . 1 1 26 26 GLN N N 26 116.350 116.350 116.855 -0.505 18518 141 1 . 1 1 26 26 GLN HA H 26 3.936 3.936 4.046 -0.110 18518 142 1 . 1 1 26 26 GLN C C 26 176.305 176.305 176.916 -0.611 18518 143 1 . 1 1 26 26 GLN CA C 26 57.503 57.503 57.429 0.074 18518 144 1 . 1 1 26 26 GLN CB C 26 30.207 30.207 29.507 0.700 18518 145 1 . 1 1 26 26 GLN H H 26 7.524 7.524 7.829 -0.305 18518 146 1 . 1 1 27 27 HIS N N 27 116.017 116.017 118.450 -2.433 18518 147 1 . 1 1 27 27 HIS HA H 27 4.930 4.930 5.100 -0.170 18518 148 1 . 1 1 27 27 HIS CA C 27 53.054 53.054 52.891 0.163 18518 149 1 . 1 1 27 27 HIS CB C 27 30.747 30.747 30.219 0.528 18518 150 1 . 1 1 27 27 HIS H H 27 8.284 8.284 8.175 0.109 18518 151 1 . 1 1 28 28 PRO HA H 28 4.581 4.581 4.580 0.001 18518 152 1 . 1 1 28 28 PRO CA C 28 64.919 64.919 64.453 0.466 18518 153 1 . 1 1 28 28 PRO CB C 28 32.455 32.455 32.197 0.258 18518 154 1 . 1 1 29 29 THR N N 29 107.011 107.011 107.057 -0.046 18518 155 1 . 1 1 29 29 THR HA H 29 4.599 4.599 4.429 0.170 18518 156 1 . 1 1 29 29 THR C C 29 172.884 172.884 173.941 -1.057 18518 157 1 . 1 1 29 29 THR CA C 29 60.810 60.810 61.533 -0.723 18518 158 1 . 1 1 29 29 THR CB C 29 68.531 68.531 68.628 -0.098 18518 159 1 . 1 1 29 29 THR H H 29 7.890 7.890 8.282 -0.392 18518 160 1 . 1 1 30 30 LYS N N 30 117.679 117.679 121.342 -3.663 18518 161 1 . 1 1 30 30 LYS HA H 30 4.858 4.858 4.957 -0.099 18518 162 1 . 1 1 30 30 LYS C C 30 174.310 174.310 174.764 -0.454 18518 163 1 . 1 1 30 30 LYS CA C 30 53.751 53.751 53.962 -0.211 18518 164 1 . 1 1 30 30 LYS CB C 30 35.804 35.804 35.756 0.048 18518 165 1 . 1 1 30 30 LYS H H 30 7.441 7.441 7.612 -0.171 18518 166 1 . 1 1 31 31 ILE N N 31 122.849 122.849 122.870 -0.021 18518 167 1 . 1 1 31 31 ILE HA H 31 4.105 4.105 4.322 -0.217 18518 168 1 . 1 1 31 31 ILE CA C 31 54.801 54.801 56.842 -2.041 18518 169 1 . 1 1 31 31 ILE CB C 31 38.265 38.265 38.691 -0.426 18518 170 1 . 1 1 31 31 ILE H H 31 9.304 9.304 8.900 0.403 18518 171 1 . 1 1 32 32 PRO HA H 32 5.159 5.159 4.912 0.247 18518 172 1 . 1 1 32 32 PRO C C 32 174.164 174.164 175.916 -1.752 18518 173 1 . 1 1 32 32 PRO CA C 32 61.503 61.503 62.102 -0.599 18518 174 1 . 1 1 32 32 PRO CB C 32 31.145 31.145 30.876 0.269 18518 175 1 . 1 1 33 33 VAL N N 33 125.606 125.606 124.032 1.574 18518 176 1 . 1 1 33 33 VAL HA H 33 5.213 5.213 5.074 0.139 18518 177 1 . 1 1 33 33 VAL C C 33 173.654 173.654 173.893 -0.239 18518 178 1 . 1 1 33 33 VAL CA C 33 60.044 60.044 59.241 0.803 18518 179 1 . 1 1 33 33 VAL CB C 33 35.604 35.604 35.986 -0.382 18518 180 1 . 1 1 33 33 VAL H H 33 9.424 9.424 8.645 0.779 18518 181 1 . 1 1 34 34 ILE N N 34 128.241 128.241 126.337 1.904 18518 182 1 . 1 1 34 34 ILE HA H 34 4.833 4.833 4.744 0.089 18518 183 1 . 1 1 34 34 ILE C C 34 175.605 175.605 174.878 0.727 18518 184 1 . 1 1 34 34 ILE CA C 34 56.765 56.765 58.435 -1.670 18518 185 1 . 1 1 34 34 ILE CB C 34 36.799 36.799 38.475 -1.676 18518 186 1 . 1 1 34 34 ILE H H 34 8.721 8.721 8.942 -0.221 18518 187 1 . 1 1 35 35 ILE N N 35 125.650 125.650 128.067 -2.417 18518 188 1 . 1 1 35 35 ILE HA H 35 4.836 4.836 4.724 0.112 18518 189 1 . 1 1 35 35 ILE C C 35 174.887 174.887 174.496 0.391 18518 190 1 . 1 1 35 35 ILE CA C 35 60.945 60.945 59.975 0.970 18518 191 1 . 1 1 35 35 ILE CB C 35 39.210 39.210 39.181 0.029 18518 192 1 . 1 1 35 35 ILE H H 35 9.034 9.034 8.965 0.069 18518 193 1 . 1 1 36 36 GLU N N 36 122.657 122.657 126.750 -4.093 18518 194 1 . 1 1 36 36 GLU HA H 36 4.861 4.861 4.840 0.022 18518 195 1 . 1 1 36 36 GLU C C 36 173.848 173.848 174.597 -0.749 18518 196 1 . 1 1 36 36 GLU CA C 36 53.932 53.932 54.117 -0.185 18518 197 1 . 1 1 36 36 GLU CB C 36 35.282 35.282 34.281 1.001 18518 198 1 . 1 1 36 36 GLU H H 36 8.303 8.303 8.530 -0.227 18518 199 1 . 1 1 37 37 ARG N N 37 123.228 123.228 125.445 -2.218 18518 200 1 . 1 1 37 37 ARG HA H 37 2.726 2.726 3.481 -0.755 18518 201 1 . 1 1 37 37 ARG C C 37 176.359 176.359 175.790 0.569 18518 202 1 . 1 1 37 37 ARG CA C 37 56.359 56.359 56.183 0.176 18518 203 1 . 1 1 37 37 ARG CB C 37 31.341 31.341 30.785 0.556 18518 204 1 . 1 1 37 37 ARG H H 37 8.856 8.856 8.626 0.230 18518 205 1 . 1 1 38 38 TYR N N 38 128.981 128.981 127.799 1.182 18518 206 1 . 1 1 38 38 TYR HA H 38 4.352 4.352 4.271 0.081 18518 207 1 . 1 1 38 38 TYR C C 38 177.316 177.316 176.591 0.725 18518 208 1 . 1 1 38 38 TYR CA C 38 57.712 57.712 58.184 -0.472 18518 209 1 . 1 1 38 38 TYR CB C 38 39.472 39.472 40.065 -0.593 18518 210 1 . 1 1 38 38 TYR H H 38 8.628 8.628 8.323 0.305 18518 211 1 . 1 1 39 39 LYS N N 39 130.635 130.635 125.899 4.736 18518 212 1 . 1 1 39 39 LYS HA H 39 3.822 3.822 3.815 0.007 18518 213 1 . 1 1 39 39 LYS CA C 39 58.887 58.887 58.111 0.776 18518 214 1 . 1 1 39 39 LYS CB C 39 31.771 31.771 31.890 -0.119 18518 215 1 . 1 1 39 39 LYS H H 39 8.594 8.594 8.085 0.509 18518 216 1 . 1 1 40 40 GLY C C 40 173.447 173.447 173.923 -0.476 18518 217 1 . 1 1 40 40 GLY CA C 40 44.663 44.663 44.048 0.615 18518 218 1 . 1 1 40 40 GLY H H 40 5.188 5.188 6.464 -1.276 18518 219 1 . 1 1 41 41 GLU N N 41 122.836 122.836 120.997 1.839 18518 220 1 . 1 1 41 41 GLU HA H 41 4.257 4.257 4.321 -0.064 18518 221 1 . 1 1 41 41 GLU C C 41 176.524 176.524 175.969 0.555 18518 222 1 . 1 1 41 41 GLU CA C 41 56.525 56.525 56.368 0.157 18518 223 1 . 1 1 41 41 GLU CB C 41 30.985 30.985 29.641 1.345 18518 224 1 . 1 1 41 41 GLU H H 41 7.380 7.380 7.493 -0.113 18518 225 1 . 1 1 42 42 LYS N N 42 124.040 124.040 125.082 -1.042 18518 226 1 . 1 1 42 42 LYS HA H 42 4.675 4.675 4.467 0.208 18518 227 1 . 1 1 42 42 LYS C C 42 177.538 177.538 177.183 0.355 18518 228 1 . 1 1 42 42 LYS CA C 42 55.840 55.840 56.759 -0.919 18518 229 1 . 1 1 42 42 LYS CB C 42 34.979 34.979 33.373 1.606 18518 230 1 . 1 1 42 42 LYS H H 42 9.034 9.034 8.545 0.489 18518 231 1 . 1 1 43 43 GLN N N 43 119.259 119.259 118.557 0.702 18518 232 1 . 1 1 43 43 GLN HA H 43 4.542 4.542 4.366 0.176 18518 233 1 . 1 1 43 43 GLN C C 43 177.336 177.336 176.251 1.085 18518 234 1 . 1 1 43 43 GLN CA C 43 57.673 57.673 56.919 0.754 18518 235 1 . 1 1 43 43 GLN CB C 43 30.782 30.782 29.860 0.921 18518 236 1 . 1 1 43 43 GLN H H 43 8.435 8.435 8.714 -0.279 18518 237 1 . 1 1 44 44 LEU N N 44 120.760 120.760 123.328 -2.568 18518 238 1 . 1 1 44 44 LEU HA H 44 4.695 4.695 4.711 -0.016 18518 239 1 . 1 1 44 44 LEU CA C 44 53.245 53.245 52.614 0.630 18518 240 1 . 1 1 44 44 LEU CB C 44 43.596 43.596 41.953 1.643 18518 241 1 . 1 1 44 44 LEU H H 44 9.126 9.126 8.223 0.903 18518 242 1 . 1 1 45 45 PRO HA H 45 4.717 4.717 4.576 0.141 18518 243 1 . 1 1 45 45 PRO C C 45 175.797 175.797 176.345 -0.548 18518 244 1 . 1 1 45 45 PRO CA C 45 62.111 62.111 62.246 -0.135 18518 245 1 . 1 1 45 45 PRO CB C 45 32.592 32.592 32.411 0.181 18518 246 1 . 1 1 46 46 VAL N N 46 119.052 119.052 120.729 -1.677 18518 247 1 . 1 1 46 46 VAL HA H 46 3.867 3.867 4.371 -0.504 18518 248 1 . 1 1 46 46 VAL C C 46 175.640 175.640 176.481 -0.841 18518 249 1 . 1 1 46 46 VAL CA C 46 62.944 62.944 61.934 1.010 18518 250 1 . 1 1 46 46 VAL CB C 46 32.799 32.799 32.917 -0.118 18518 251 1 . 1 1 46 46 VAL H H 46 8.543 8.543 8.252 0.291 18518 252 1 . 1 1 47 47 LEU N N 47 130.203 130.203 126.509 3.694 18518 253 1 . 1 1 47 47 LEU HA H 47 4.309 4.309 4.445 -0.136 18518 254 1 . 1 1 47 47 LEU C C 47 176.198 176.198 177.375 -1.176 18518 255 1 . 1 1 47 47 LEU CA C 47 55.006 55.006 55.119 -0.113 18518 256 1 . 1 1 47 47 LEU CB C 47 43.832 43.832 42.692 1.140 18518 257 1 . 1 1 47 47 LEU H H 47 7.799 7.799 8.498 -0.699 18518 258 1 . 1 1 48 48 ASP N N 48 122.403 122.403 121.675 0.728 18518 259 1 . 1 1 48 48 ASP HA H 48 4.263 4.263 4.539 -0.276 18518 260 1 . 1 1 48 48 ASP C C 48 175.294 175.294 175.804 -0.510 18518 261 1 . 1 1 48 48 ASP CA C 48 55.832 55.832 55.782 0.050 18518 262 1 . 1 1 48 48 ASP CB C 48 40.184 40.184 41.336 -1.152 18518 263 1 . 1 1 48 48 ASP H H 48 8.780 8.780 8.592 0.188 18518 264 1 . 1 1 49 49 LYS N N 49 119.569 119.569 116.588 2.981 18518 265 1 . 1 1 49 49 LYS HA H 49 4.585 4.585 4.525 0.060 18518 266 1 . 1 1 49 49 LYS C C 49 174.678 174.678 175.433 -0.755 18518 267 1 . 1 1 49 49 LYS CA C 49 53.652 53.652 55.277 -1.625 18518 268 1 . 1 1 49 49 LYS CB C 49 35.945 35.945 34.566 1.379 18518 269 1 . 1 1 49 49 LYS H H 49 7.280 7.280 7.607 -0.327 18518 270 1 . 1 1 50 50 THR N N 50 110.862 110.862 112.624 -1.762 18518 271 1 . 1 1 50 50 THR HA H 50 4.811 4.811 4.792 0.019 18518 272 1 . 1 1 50 50 THR C C 50 172.425 172.425 174.198 -1.773 18518 273 1 . 1 1 50 50 THR CA C 50 62.645 62.645 62.611 0.034 18518 274 1 . 1 1 50 50 THR CB C 50 71.648 71.648 70.315 1.333 18518 275 1 . 1 1 50 50 THR H H 50 8.042 8.042 8.248 -0.206 18518 276 1 . 1 1 51 51 LYS N N 51 120.008 120.008 122.606 -2.598 18518 277 1 . 1 1 51 51 LYS HA H 51 4.625 4.625 4.628 -0.003 18518 278 1 . 1 1 51 51 LYS C C 51 175.082 175.082 175.842 -0.760 18518 279 1 . 1 1 51 51 LYS CA C 51 54.704 54.704 56.417 -1.713 18518 280 1 . 1 1 51 51 LYS CB C 51 32.376 32.376 33.089 -0.713 18518 281 1 . 1 1 51 51 LYS H H 51 7.119 7.119 7.631 -0.512 18518 282 1 . 1 1 52 52 PHE N N 52 122.640 122.640 123.463 -0.823 18518 283 1 . 1 1 52 52 PHE HA H 52 5.337 5.337 4.749 0.588 18518 284 1 . 1 1 52 52 PHE C C 52 174.213 174.213 174.168 0.045 18518 285 1 . 1 1 52 52 PHE CA C 52 56.611 56.611 56.776 -0.165 18518 286 1 . 1 1 52 52 PHE CB C 52 43.140 43.140 43.247 -0.107 18518 287 1 . 1 1 52 52 PHE H H 52 9.709 9.709 9.216 0.493 18518 288 1 . 1 1 53 53 LEU N N 53 122.157 122.157 123.102 -0.945 18518 289 1 . 1 1 53 53 LEU HA H 53 4.947 4.947 4.975 -0.028 18518 290 1 . 1 1 53 53 LEU C C 53 175.769 175.769 175.631 0.138 18518 291 1 . 1 1 53 53 LEU CA C 53 52.957 52.957 53.842 -0.885 18518 292 1 . 1 1 53 53 LEU CB C 53 44.415 44.415 43.815 0.600 18518 293 1 . 1 1 53 53 LEU H H 53 8.959 8.959 8.457 0.502 18518 294 1 . 1 1 54 54 VAL N N 54 124.919 124.919 123.886 1.033 18518 295 1 . 1 1 54 54 VAL HA H 54 4.559 4.559 4.625 -0.066 18518 296 1 . 1 1 54 54 VAL CA C 54 59.130 59.130 58.274 0.856 18518 297 1 . 1 1 54 54 VAL CB C 54 34.968 34.968 33.824 1.144 18518 298 1 . 1 1 54 54 VAL H H 54 8.922 8.922 8.538 0.384 18518 299 1 . 1 1 55 55 PRO HA H 55 4.441 4.441 4.848 -0.407 18518 300 1 . 1 1 55 55 PRO C C 55 176.594 176.594 178.014 -1.420 18518 301 1 . 1 1 55 55 PRO CA C 55 64.315 64.315 62.140 2.175 18518 302 1 . 1 1 55 55 PRO CB C 55 32.665 32.665 32.186 0.479 18518 303 1 . 1 1 56 56 ASP N N 56 120.522 120.522 122.780 -2.258 18518 304 1 . 1 1 56 56 ASP HA H 56 3.862 3.862 4.218 -0.356 18518 305 1 . 1 1 56 56 ASP C C 56 175.809 175.809 176.662 -0.853 18518 306 1 . 1 1 56 56 ASP CA C 56 56.749 56.749 56.942 -0.193 18518 307 1 . 1 1 56 56 ASP CB C 56 40.510 40.510 40.482 0.028 18518 308 1 . 1 1 56 56 ASP H H 56 8.347 8.347 8.414 -0.067 18518 309 1 . 1 1 57 57 HIS N N 57 113.482 113.482 114.782 -1.300 18518 310 1 . 1 1 57 57 HIS HA H 57 4.720 4.720 4.610 0.110 18518 311 1 . 1 1 57 57 HIS C C 57 176.507 176.507 175.242 1.265 18518 312 1 . 1 1 57 57 HIS CA C 57 55.589 55.589 55.997 -0.408 18518 313 1 . 1 1 57 57 HIS CB C 57 30.643 30.643 29.689 0.954 18518 314 1 . 1 1 57 57 HIS H H 57 7.557 7.557 8.024 -0.467 18518 315 1 . 1 1 58 58 VAL N N 58 123.279 123.279 120.787 2.492 18518 316 1 . 1 1 58 58 VAL HA H 58 3.836 3.836 4.192 -0.356 18518 317 1 . 1 1 58 58 VAL C C 58 175.019 175.019 174.762 0.257 18518 318 1 . 1 1 58 58 VAL CA C 58 62.823 62.823 60.985 1.838 18518 319 1 . 1 1 58 58 VAL CB C 58 32.310 32.310 33.667 -1.357 18518 320 1 . 1 1 58 58 VAL H H 58 7.345 7.345 7.411 -0.066 18518 321 1 . 1 1 59 59 ASN N N 59 123.781 123.781 121.492 2.289 18518 322 1 . 1 1 59 59 ASN HA H 59 5.126 5.126 5.080 0.046 18518 323 1 . 1 1 59 59 ASN C C 59 176.558 176.558 176.436 0.122 18518 324 1 . 1 1 59 59 ASN CA C 59 51.485 51.485 51.806 -0.321 18518 325 1 . 1 1 59 59 ASN CB C 59 40.107 40.107 40.488 -0.381 18518 326 1 . 1 1 59 59 ASN H H 59 8.735 8.735 8.389 0.346 18518 327 1 . 1 1 60 60 MET N N 60 117.453 117.453 118.609 -1.156 18518 328 1 . 1 1 60 60 MET HA H 60 4.395 4.395 4.107 0.288 18518 329 1 . 1 1 60 60 MET C C 60 178.144 178.144 178.199 -0.055 18518 330 1 . 1 1 60 60 MET CA C 60 57.097 57.097 58.278 -1.181 18518 331 1 . 1 1 60 60 MET CB C 60 30.140 30.140 31.332 -1.192 18518 332 1 . 1 1 60 60 MET H H 60 8.227 8.227 8.531 -0.304 18518 333 1 . 1 1 61 61 SER N N 61 114.216 114.216 115.467 -1.251 18518 334 1 . 1 1 61 61 SER HA H 61 4.111 4.111 4.076 0.035 18518 335 1 . 1 1 61 61 SER C C 61 177.335 177.335 176.809 0.526 18518 336 1 . 1 1 61 61 SER CA C 61 61.590 61.590 62.352 -0.762 18518 337 1 . 1 1 61 61 SER CB C 61 62.402 62.402 62.754 -0.352 18518 338 1 . 1 1 61 61 SER H H 61 8.464 8.464 8.417 0.047 18518 339 1 . 1 1 62 62 GLU N N 62 123.004 123.004 121.185 1.819 18518 340 1 . 1 1 62 62 GLU HA H 62 4.047 4.047 4.104 -0.057 18518 341 1 . 1 1 62 62 GLU C C 62 178.686 178.686 178.777 -0.091 18518 342 1 . 1 1 62 62 GLU CA C 62 58.625 58.625 58.829 -0.204 18518 343 1 . 1 1 62 62 GLU CB C 62 29.654 29.654 29.281 0.372 18518 344 1 . 1 1 62 62 GLU H H 62 7.994 7.994 7.680 0.314 18518 345 1 . 1 1 63 63 LEU N N 63 120.818 120.818 122.037 -1.219 18518 346 1 . 1 1 63 63 LEU HA H 63 3.965 3.965 3.988 -0.023 18518 347 1 . 1 1 63 63 LEU C C 63 178.046 178.046 178.797 -0.751 18518 348 1 . 1 1 63 63 LEU CA C 63 57.920 57.920 58.011 -0.091 18518 349 1 . 1 1 63 63 LEU CB C 63 41.624 41.624 41.486 0.138 18518 350 1 . 1 1 63 63 LEU H H 63 8.130 8.130 7.832 0.298 18518 351 1 . 1 1 64 64 ILE N N 64 118.528 118.528 119.355 -0.827 18518 352 1 . 1 1 64 64 ILE HA H 64 3.369 3.369 3.585 -0.216 18518 353 1 . 1 1 64 64 ILE C C 64 177.127 177.127 177.749 -0.622 18518 354 1 . 1 1 64 64 ILE CA C 64 66.678 66.678 65.622 1.056 18518 355 1 . 1 1 64 64 ILE CB C 64 38.444 38.444 37.414 1.030 18518 356 1 . 1 1 64 64 ILE H H 64 8.488 8.488 8.597 -0.109 18518 357 1 . 1 1 65 65 LYS N N 65 118.336 118.336 120.807 -2.471 18518 358 1 . 1 1 65 65 LYS HA H 65 3.701 3.701 3.974 -0.273 18518 359 1 . 1 1 65 65 LYS C C 65 179.291 179.291 179.176 0.115 18518 360 1 . 1 1 65 65 LYS CA C 65 60.440 60.440 59.842 0.598 18518 361 1 . 1 1 65 65 LYS CB C 65 32.371 32.371 32.214 0.157 18518 362 1 . 1 1 65 65 LYS H H 65 7.347 7.347 7.708 -0.360 18518 363 1 . 1 1 66 66 ILE N N 66 120.171 120.171 120.303 -0.132 18518 364 1 . 1 1 66 66 ILE HA H 66 3.578 3.578 3.686 -0.108 18518 365 1 . 1 1 66 66 ILE C C 66 178.873 178.873 178.200 0.673 18518 366 1 . 1 1 66 66 ILE CA C 66 65.160 65.160 65.321 -0.161 18518 367 1 . 1 1 66 66 ILE CB C 66 38.633 38.633 37.907 0.726 18518 368 1 . 1 1 66 66 ILE H H 66 7.901 7.901 8.210 -0.308 18518 369 1 . 1 1 67 67 ILE N N 67 121.185 121.185 120.582 0.603 18518 370 1 . 1 1 67 67 ILE HA H 67 3.446 3.446 3.558 -0.112 18518 371 1 . 1 1 67 67 ILE C C 67 177.150 177.150 177.770 -0.620 18518 372 1 . 1 1 67 67 ILE CA C 67 62.806 62.806 64.570 -1.764 18518 373 1 . 1 1 67 67 ILE CB C 67 34.995 34.995 37.301 -2.307 18518 374 1 . 1 1 67 67 ILE H H 67 8.290 8.290 8.030 0.260 18518 375 1 . 1 1 68 68 ARG N N 68 119.173 119.173 118.808 0.365 18518 376 1 . 1 1 68 68 ARG HA H 68 2.931 2.931 3.755 -0.824 18518 377 1 . 1 1 68 68 ARG C C 68 178.496 178.496 178.672 -0.177 18518 378 1 . 1 1 68 68 ARG CA C 68 60.636 60.636 59.623 1.013 18518 379 1 . 1 1 68 68 ARG CB C 68 30.440 30.440 29.780 0.660 18518 380 1 . 1 1 68 68 ARG H H 68 8.438 8.438 8.344 0.094 18518 381 1 . 1 1 69 69 ARG N N 69 116.511 116.511 120.081 -3.570 18518 382 1 . 1 1 69 69 ARG HA H 69 4.134 4.134 3.994 0.140 18518 383 1 . 1 1 69 69 ARG C C 69 180.262 180.262 178.776 1.486 18518 384 1 . 1 1 69 69 ARG CA C 69 58.707 58.707 59.301 -0.594 18518 385 1 . 1 1 69 69 ARG CB C 69 29.953 29.953 30.159 -0.206 18518 386 1 . 1 1 69 69 ARG H H 69 7.497 7.497 8.305 -0.808 18518 387 1 . 1 1 70 70 ARG N N 70 123.297 123.297 118.680 4.617 18518 388 1 . 1 1 70 70 ARG HA H 70 4.016 4.016 4.127 -0.111 18518 389 1 . 1 1 70 70 ARG C C 70 178.700 178.700 178.311 0.389 18518 390 1 . 1 1 70 70 ARG CA C 70 59.460 59.460 58.552 0.908 18518 391 1 . 1 1 70 70 ARG CB C 70 30.312 30.312 29.770 0.542 18518 392 1 . 1 1 70 70 ARG H H 70 8.075 8.075 7.900 0.175 18518 393 1 . 1 1 71 71 LEU N N 71 116.829 116.829 119.148 -2.319 18518 394 1 . 1 1 71 71 LEU HA H 71 4.065 4.065 4.203 -0.138 18518 395 1 . 1 1 71 71 LEU C C 71 174.956 174.956 176.194 -1.238 18518 396 1 . 1 1 71 71 LEU CA C 71 55.126 55.126 55.434 -0.308 18518 397 1 . 1 1 71 71 LEU CB C 71 43.246 43.246 42.275 0.971 18518 398 1 . 1 1 71 71 LEU H H 71 7.719 7.719 7.920 -0.201 18518 399 1 . 1 1 72 72 GLN N N 72 114.991 114.991 114.525 0.466 18518 400 1 . 1 1 72 72 GLN HA H 72 3.836 3.836 3.884 -0.048 18518 401 1 . 1 1 72 72 GLN C C 72 175.683 175.683 175.262 0.421 18518 402 1 . 1 1 72 72 GLN CA C 72 56.325 56.325 56.163 0.162 18518 403 1 . 1 1 72 72 GLN CB C 72 26.004 26.004 25.830 0.174 18518 404 1 . 1 1 72 72 GLN H H 72 7.744 7.744 7.611 0.133 18518 405 1 . 1 1 73 73 LEU N N 73 115.045 115.045 118.697 -3.652 18518 406 1 . 1 1 73 73 LEU HA H 73 4.236 4.236 4.101 0.135 18518 407 1 . 1 1 73 73 LEU C C 73 178.762 178.762 177.134 1.628 18518 408 1 . 1 1 73 73 LEU CA C 73 54.386 54.386 55.051 -0.666 18518 409 1 . 1 1 73 73 LEU CB C 73 42.091 42.091 41.930 0.161 18518 410 1 . 1 1 73 73 LEU H H 73 7.500 7.500 7.633 -0.133 18518 411 1 . 1 1 74 74 ASN N N 74 121.700 121.700 121.625 0.075 18518 412 1 . 1 1 74 74 ASN HA H 74 4.690 4.690 4.564 0.126 18518 413 1 . 1 1 74 74 ASN C C 74 176.617 176.617 175.804 0.813 18518 414 1 . 1 1 74 74 ASN CA C 74 52.685 52.685 53.664 -0.979 18518 415 1 . 1 1 74 74 ASN CB C 74 39.598 39.598 39.617 -0.019 18518 416 1 . 1 1 74 74 ASN H H 74 9.045 9.045 8.457 0.588 18518 417 1 . 1 1 75 75 ALA N N 75 123.952 123.952 122.578 1.374 18518 418 1 . 1 1 75 75 ALA HA H 75 3.964 3.964 4.319 -0.355 18518 419 1 . 1 1 75 75 ALA C C 75 178.131 178.131 177.502 0.629 18518 420 1 . 1 1 75 75 ALA CA C 75 54.868 54.868 53.579 1.289 18518 421 1 . 1 1 75 75 ALA CB C 75 18.718 18.718 19.325 -0.607 18518 422 1 . 1 1 75 75 ALA H H 75 8.784 8.784 8.495 0.289 18518 423 1 . 1 1 76 76 ASN N N 76 112.295 112.295 115.829 -3.534 18518 424 1 . 1 1 76 76 ASN HA H 76 4.580 4.580 4.649 -0.069 18518 425 1 . 1 1 76 76 ASN C C 76 175.448 175.448 175.157 0.291 18518 426 1 . 1 1 76 76 ASN CA C 76 53.214 53.214 53.506 -0.292 18518 427 1 . 1 1 76 76 ASN CB C 76 38.320 38.320 38.760 -0.440 18518 428 1 . 1 1 76 76 ASN H H 76 8.391 8.391 8.400 -0.009 18518 429 1 . 1 1 77 77 GLN N N 77 120.577 120.577 118.611 1.966 18518 430 1 . 1 1 77 77 GLN HA H 77 4.273 4.273 4.604 -0.331 18518 431 1 . 1 1 77 77 GLN C C 77 175.045 175.045 173.889 1.156 18518 432 1 . 1 1 77 77 GLN CA C 77 55.805 55.805 54.932 0.874 18518 433 1 . 1 1 77 77 GLN CB C 77 30.157 30.157 30.893 -0.736 18518 434 1 . 1 1 77 77 GLN H H 77 7.552 7.552 7.512 0.040 18518 435 1 . 1 1 78 78 ALA N N 78 130.670 130.670 124.169 6.501 18518 436 1 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.591 -0.420 18518 437 1 . 1 1 78 78 ALA C C 78 176.512 176.512 175.566 0.946 18518 438 1 . 1 1 78 78 ALA CA C 78 52.842 52.842 51.340 1.502 18518 439 1 . 1 1 78 78 ALA CB C 78 20.060 20.060 21.234 -1.174 18518 440 1 . 1 1 78 78 ALA H H 78 8.799 8.799 8.594 0.205 18518 441 1 . 1 1 79 79 PHE N N 79 119.325 119.325 116.625 2.700 18518 442 1 . 1 1 79 79 PHE HA H 79 4.434 4.434 5.015 -0.581 18518 443 1 . 1 1 79 79 PHE C C 79 171.726 171.726 172.785 -1.059 18518 444 1 . 1 1 79 79 PHE CA C 79 59.145 59.145 55.864 3.281 18518 445 1 . 1 1 79 79 PHE CB C 79 42.171 42.171 41.556 0.615 18518 446 1 . 1 1 79 79 PHE H H 79 7.664 7.664 8.104 -0.440 18518 447 1 . 1 1 80 80 PHE N N 80 126.314 126.314 117.923 8.391 18518 448 1 . 1 1 80 80 PHE HA H 80 4.392 4.392 4.461 -0.069 18518 449 1 . 1 1 80 80 PHE C C 80 177.169 177.169 173.305 3.864 18518 450 1 . 1 1 80 80 PHE CA C 80 56.653 56.653 56.344 0.309 18518 451 1 . 1 1 80 80 PHE CB C 80 41.933 41.933 42.955 -1.022 18518 452 1 . 1 1 80 80 PHE H H 80 8.508 8.508 8.929 -0.421 18518 453 1 . 1 1 81 81 LEU N N 81 121.426 121.426 122.674 -1.248 18518 454 1 . 1 1 81 81 LEU HA H 81 4.851 4.851 5.098 -0.247 18518 455 1 . 1 1 81 81 LEU C C 81 174.488 174.488 175.006 -0.518 18518 456 1 . 1 1 81 81 LEU CA C 81 53.197 53.197 53.985 -0.788 18518 457 1 . 1 1 81 81 LEU CB C 81 45.100 45.100 44.178 0.922 18518 458 1 . 1 1 81 81 LEU H H 81 8.229 8.229 8.481 -0.252 18518 459 1 . 1 1 82 82 LEU N N 82 125.155 125.155 127.307 -2.152 18518 460 1 . 1 1 82 82 LEU HA H 82 4.833 4.833 4.570 0.263 18518 461 1 . 1 1 82 82 LEU C C 82 177.166 177.166 175.487 1.679 18518 462 1 . 1 1 82 82 LEU CA C 82 54.197 54.197 53.781 0.416 18518 463 1 . 1 1 82 82 LEU CB C 82 43.442 43.442 43.890 -0.448 18518 464 1 . 1 1 82 82 LEU H H 82 9.400 9.400 9.157 0.243 18518 465 1 . 1 1 83 83 VAL N N 83 123.886 123.886 121.975 1.911 18518 466 1 . 1 1 83 83 VAL HA H 83 4.379 4.379 4.399 -0.020 18518 467 1 . 1 1 83 83 VAL C C 83 175.810 175.810 176.622 -0.812 18518 468 1 . 1 1 83 83 VAL CA C 83 61.677 61.677 61.885 -0.208 18518 469 1 . 1 1 83 83 VAL CB C 83 33.758 33.758 32.204 1.554 18518 470 1 . 1 1 83 83 VAL H H 83 8.721 8.721 8.479 0.242 18518 471 1 . 1 1 84 84 ASN N N 84 126.474 126.474 126.961 -0.487 18518 472 1 . 1 1 84 84 ASN HA H 84 4.396 4.396 4.482 -0.086 18518 473 1 . 1 1 84 84 ASN C C 84 175.164 175.164 175.120 0.044 18518 474 1 . 1 1 84 84 ASN CA C 84 54.738 54.738 54.927 -0.189 18518 475 1 . 1 1 84 84 ASN CB C 84 37.950 37.950 37.837 0.113 18518 476 1 . 1 1 84 84 ASN H H 84 9.707 9.707 9.498 0.209 18518 477 1 . 1 1 85 85 GLY N N 85 101.296 101.296 104.521 -3.225 18518 478 1 . 1 1 85 85 GLY C C 85 173.680 173.680 173.165 0.515 18518 479 1 . 1 1 85 85 GLY CA C 85 45.603 45.603 44.907 0.696 18518 480 1 . 1 1 85 85 GLY H H 85 8.644 8.644 8.340 0.304 18518 481 1 . 1 1 86 86 HIS N N 86 117.238 117.238 117.878 -0.640 18518 482 1 . 1 1 86 86 HIS HA H 86 5.017 5.017 4.775 0.242 18518 483 1 . 1 1 86 86 HIS C C 86 173.841 173.841 173.975 -0.134 18518 484 1 . 1 1 86 86 HIS CA C 86 53.796 53.796 53.936 -0.140 18518 485 1 . 1 1 86 86 HIS CB C 86 31.280 31.280 32.001 -0.721 18518 486 1 . 1 1 86 86 HIS H H 86 7.918 7.918 8.201 -0.283 18518 487 1 . 1 1 87 87 SER N N 87 118.179 118.179 120.341 -2.162 18518 488 1 . 1 1 87 87 SER HA H 87 4.699 4.699 4.511 0.188 18518 489 1 . 1 1 87 87 SER C C 87 175.904 175.904 174.532 1.372 18518 490 1 . 1 1 87 87 SER CA C 87 58.271 58.271 58.311 -0.040 18518 491 1 . 1 1 87 87 SER CB C 87 63.735 63.735 62.134 1.601 18518 492 1 . 1 1 87 87 SER H H 87 8.977 8.977 8.816 0.161 18518 493 1 . 1 1 88 88 MET N N 88 125.472 125.472 122.785 2.687 18518 494 1 . 1 1 88 88 MET HA H 88 4.830 4.830 4.664 0.166 18518 495 1 . 1 1 88 88 MET C C 88 176.419 176.419 175.257 1.162 18518 496 1 . 1 1 88 88 MET CA C 88 54.899 54.899 55.397 -0.498 18518 497 1 . 1 1 88 88 MET CB C 88 33.336 33.336 33.455 -0.119 18518 498 1 . 1 1 88 88 MET H H 88 9.184 9.184 8.090 1.094 18518 499 1 . 1 1 89 89 VAL N N 89 120.747 120.747 120.710 0.037 18518 500 1 . 1 1 89 89 VAL HA H 89 4.232 4.232 4.289 -0.057 18518 501 1 . 1 1 89 89 VAL C C 89 175.958 175.958 175.354 0.604 18518 502 1 . 1 1 89 89 VAL CA C 89 63.154 63.154 61.304 1.850 18518 503 1 . 1 1 89 89 VAL CB C 89 31.878 31.878 33.392 -1.514 18518 504 1 . 1 1 89 89 VAL H H 89 8.233 8.233 7.609 0.624 18518 505 1 . 1 1 90 90 SER N N 90 117.362 117.362 120.001 -2.639 18518 506 1 . 1 1 90 90 SER HA H 90 4.590 4.590 4.638 -0.048 18518 507 1 . 1 1 90 90 SER C C 90 175.741 175.741 175.605 0.136 18518 508 1 . 1 1 90 90 SER CA C 90 57.717 57.717 57.593 0.125 18518 509 1 . 1 1 90 90 SER CB C 90 63.223 63.223 64.346 -1.122 18518 510 1 . 1 1 90 90 SER H H 90 8.482 8.482 8.403 0.079 18518 511 1 . 1 1 91 91 VAL N N 91 120.466 120.466 120.765 -0.299 18518 512 1 . 1 1 91 91 VAL HA H 91 4.047 4.047 3.928 0.119 18518 513 1 . 1 1 91 91 VAL C C 91 176.329 176.329 176.088 0.241 18518 514 1 . 1 1 91 91 VAL CA C 91 63.492 63.492 64.384 -0.892 18518 515 1 . 1 1 91 91 VAL CB C 91 32.568 32.568 31.814 0.754 18518 516 1 . 1 1 91 91 VAL H H 91 8.188 8.188 8.616 -0.428 18518 517 1 . 1 1 92 92 SER N N 92 116.398 116.398 113.948 2.450 18518 518 1 . 1 1 92 92 SER HA H 92 4.636 4.636 4.552 0.084 18518 519 1 . 1 1 92 92 SER C C 92 174.159 174.159 174.500 -0.341 18518 520 1 . 1 1 92 92 SER CA C 92 57.805 57.805 58.545 -0.740 18518 521 1 . 1 1 92 92 SER CB C 92 63.046 63.046 63.347 -0.301 18518 522 1 . 1 1 92 92 SER H H 92 8.370 8.370 8.111 0.259 18518 523 1 . 1 1 93 93 THR N N 93 119.211 119.211 119.810 -0.599 18518 524 1 . 1 1 93 93 THR HA H 93 4.484 4.484 4.571 -0.087 18518 525 1 . 1 1 93 93 THR CA C 93 60.884 60.884 61.102 -0.218 18518 526 1 . 1 1 93 93 THR CB C 93 70.609 70.609 68.974 1.635 18518 527 1 . 1 1 93 93 THR H H 93 7.416 7.416 7.540 -0.124 18518 528 1 . 1 1 94 94 PRO HA H 94 4.440 4.440 4.627 -0.187 18518 529 1 . 1 1 94 94 PRO C C 94 178.775 178.775 177.255 1.520 18518 530 1 . 1 1 94 94 PRO CA C 94 62.943 62.943 62.395 0.548 18518 531 1 . 1 1 94 94 PRO CB C 94 32.649 32.649 32.580 0.069 18518 532 1 . 1 1 95 95 ILE N N 95 124.174 124.174 123.760 0.414 18518 533 1 . 1 1 95 95 ILE HA H 95 3.949 3.949 3.819 0.130 18518 534 1 . 1 1 95 95 ILE C C 95 176.498 176.498 177.002 -0.504 18518 535 1 . 1 1 95 95 ILE CA C 95 63.904 63.904 62.651 1.253 18518 536 1 . 1 1 95 95 ILE CB C 95 38.182 38.182 38.111 0.071 18518 537 1 . 1 1 95 95 ILE H H 95 9.305 9.305 8.299 1.006 18518 538 1 . 1 1 96 96 SER N N 96 116.920 116.920 116.239 0.681 18518 539 1 . 1 1 96 96 SER HA H 96 4.029 4.029 4.112 -0.083 18518 540 1 . 1 1 96 96 SER C C 96 176.574 176.574 176.257 0.317 18518 541 1 . 1 1 96 96 SER CA C 96 61.356 61.356 62.337 -0.981 18518 542 1 . 1 1 96 96 SER CB C 96 61.723 61.723 62.654 -0.931 18518 543 1 . 1 1 96 96 SER H H 96 8.335 8.335 8.345 -0.010 18518 544 1 . 1 1 97 97 GLU N N 97 123.255 123.255 122.067 1.188 18518 545 1 . 1 1 97 97 GLU HA H 97 4.278 4.278 4.211 0.067 18518 546 1 . 1 1 97 97 GLU C C 97 179.716 179.716 178.994 0.722 18518 547 1 . 1 1 97 97 GLU CA C 97 58.792 58.792 58.860 -0.068 18518 548 1 . 1 1 97 97 GLU CB C 97 29.562 29.562 29.222 0.340 18518 549 1 . 1 1 97 97 GLU H H 97 7.376 7.376 7.834 -0.458 18518 550 1 . 1 1 98 98 VAL N N 98 121.137 121.137 120.783 0.354 18518 551 1 . 1 1 98 98 VAL HA H 98 3.802 3.802 3.675 0.127 18518 552 1 . 1 1 98 98 VAL C C 98 177.637 177.637 178.024 -0.387 18518 553 1 . 1 1 98 98 VAL CA C 98 65.824 65.824 66.517 -0.693 18518 554 1 . 1 1 98 98 VAL CB C 98 32.154 32.154 31.138 1.016 18518 555 1 . 1 1 98 98 VAL H H 98 7.387 7.387 7.863 -0.475 18518 556 1 . 1 1 99 99 TYR N N 99 118.927 118.927 121.585 -2.658 18518 557 1 . 1 1 99 99 TYR HA H 99 3.990 3.990 4.048 -0.058 18518 558 1 . 1 1 99 99 TYR C C 99 176.081 176.081 177.033 -0.952 18518 559 1 . 1 1 99 99 TYR CA C 99 62.223 62.223 61.476 0.747 18518 560 1 . 1 1 99 99 TYR CB C 99 38.982 38.982 38.438 0.544 18518 561 1 . 1 1 99 99 TYR H H 99 9.048 9.048 8.455 0.593 18518 562 1 . 1 1 100 100 GLU N N 100 113.894 113.894 116.526 -2.632 18518 563 1 . 1 1 100 100 GLU HA H 100 3.846 3.846 3.741 0.105 18518 564 1 . 1 1 100 100 GLU C C 100 177.989 177.989 178.441 -0.452 18518 565 1 . 1 1 100 100 GLU CA C 100 59.087 59.087 58.541 0.546 18518 566 1 . 1 1 100 100 GLU CB C 100 29.382 29.382 28.965 0.417 18518 567 1 . 1 1 100 100 GLU H H 100 7.422 7.422 8.113 -0.691 18518 568 1 . 1 1 101 101 SER N N 101 108.991 108.991 114.251 -5.260 18518 569 1 . 1 1 101 101 SER HA H 101 4.524 4.524 4.400 0.124 18518 570 1 . 1 1 101 101 SER C C 101 176.628 176.628 175.522 1.106 18518 571 1 . 1 1 101 101 SER CA C 101 60.349 60.349 60.346 0.003 18518 572 1 . 1 1 101 101 SER CB C 101 64.741 64.741 63.920 0.821 18518 573 1 . 1 1 101 101 SER H H 101 7.424 7.424 7.850 -0.426 18518 574 1 . 1 1 102 102 GLU N N 102 116.533 116.533 119.211 -2.678 18518 575 1 . 1 1 102 102 GLU HA H 102 4.744 4.744 4.578 0.166 18518 576 1 . 1 1 102 102 GLU C C 102 176.774 176.774 175.793 0.981 18518 577 1 . 1 1 102 102 GLU CA C 102 55.581 55.581 55.336 0.245 18518 578 1 . 1 1 102 102 GLU CB C 102 30.697 30.697 30.761 -0.064 18518 579 1 . 1 1 102 102 GLU H H 102 8.487 8.487 7.956 0.531 18518 580 1 . 1 1 103 103 LYS N N 103 118.370 118.370 119.975 -1.605 18518 581 1 . 1 1 103 103 LYS HA H 103 4.178 4.178 3.998 0.180 18518 582 1 . 1 1 103 103 LYS C C 103 175.018 175.018 176.663 -1.645 18518 583 1 . 1 1 103 103 LYS CA C 103 57.329 57.329 56.988 0.341 18518 584 1 . 1 1 103 103 LYS CB C 103 32.186 32.186 31.881 0.305 18518 585 1 . 1 1 103 103 LYS H H 103 7.831 7.831 7.638 0.193 18518 586 1 . 1 1 104 104 ASP N N 104 123.500 123.500 124.559 -1.058 18518 587 1 . 1 1 104 104 ASP HA H 104 4.755 4.755 4.679 0.076 18518 588 1 . 1 1 104 104 ASP C C 104 177.383 177.383 177.687 -0.304 18518 589 1 . 1 1 104 104 ASP CA C 104 53.846 53.846 53.919 -0.073 18518 590 1 . 1 1 104 104 ASP CB C 104 43.411 43.411 42.812 0.599 18518 591 1 . 1 1 104 104 ASP H H 104 9.041 9.041 8.200 0.841 18518 592 1 . 1 1 105 105 GLU N N 105 125.448 125.448 120.552 4.896 18518 593 1 . 1 1 105 105 GLU HA H 105 4.180 4.180 4.132 0.048 18518 594 1 . 1 1 105 105 GLU C C 105 177.519 177.519 176.808 0.711 18518 595 1 . 1 1 105 105 GLU CA C 105 59.529 59.529 58.888 0.641 18518 596 1 . 1 1 105 105 GLU CB C 105 30.044 30.044 29.652 0.392 18518 597 1 . 1 1 105 105 GLU H H 105 8.906 8.906 8.854 0.052 18518 598 1 . 1 1 106 106 ASP N N 106 118.824 118.824 117.348 1.476 18518 599 1 . 1 1 106 106 ASP HA H 106 4.179 4.179 4.569 -0.390 18518 600 1 . 1 1 106 106 ASP C C 106 176.223 176.223 176.916 -0.693 18518 601 1 . 1 1 106 106 ASP CA C 106 54.756 54.756 54.585 0.171 18518 602 1 . 1 1 106 106 ASP CB C 106 39.999 39.999 40.957 -0.957 18518 603 1 . 1 1 106 106 ASP H H 106 10.036 10.036 8.288 1.748 18518 604 1 . 1 1 107 107 GLY N N 107 105.866 105.866 106.326 -0.460 18518 605 1 . 1 1 107 107 GLY C C 107 175.136 175.136 173.984 1.151 18518 606 1 . 1 1 107 107 GLY CA C 107 45.222 45.222 45.296 -0.074 18518 607 1 . 1 1 107 107 GLY H H 107 8.001 8.001 7.848 0.153 18518 608 1 . 1 1 108 108 PHE N N 108 123.820 123.820 120.807 3.013 18518 609 1 . 1 1 108 108 PHE HA H 108 4.662 4.662 4.875 -0.213 18518 610 1 . 1 1 108 108 PHE C C 108 174.899 174.899 174.649 0.250 18518 611 1 . 1 1 108 108 PHE CA C 108 60.238 60.238 58.066 2.172 18518 612 1 . 1 1 108 108 PHE CB C 108 40.365 40.365 40.699 -0.334 18518 613 1 . 1 1 108 108 PHE H H 108 9.912 9.912 7.924 1.988 18518 614 1 . 1 1 109 109 LEU N N 109 120.130 120.130 122.926 -2.796 18518 615 1 . 1 1 109 109 LEU HA H 109 5.030 5.030 4.853 0.177 18518 616 1 . 1 1 109 109 LEU C C 109 173.916 173.916 174.811 -0.895 18518 617 1 . 1 1 109 109 LEU CA C 109 53.424 53.424 53.832 -0.408 18518 618 1 . 1 1 109 109 LEU CB C 109 45.203 45.203 44.308 0.895 18518 619 1 . 1 1 109 109 LEU H H 109 7.997 7.997 8.648 -0.651 18518 620 1 . 1 1 110 110 TYR N N 110 126.579 126.579 126.076 0.503 18518 621 1 . 1 1 110 110 TYR HA H 110 5.003 5.003 4.730 0.273 18518 622 1 . 1 1 110 110 TYR C C 110 176.671 176.671 175.242 1.429 18518 623 1 . 1 1 110 110 TYR CA C 110 59.058 59.058 58.048 1.010 18518 624 1 . 1 1 110 110 TYR CB C 110 39.556 39.556 39.661 -0.105 18518 625 1 . 1 1 110 110 TYR H H 110 9.377 9.377 8.801 0.576 18518 626 1 . 1 1 111 111 MET N N 111 119.240 119.240 121.347 -2.107 18518 627 1 . 1 1 111 111 MET HA H 111 5.486 5.486 5.276 0.210 18518 628 1 . 1 1 111 111 MET C C 111 175.695 175.695 174.529 1.166 18518 629 1 . 1 1 111 111 MET CA C 111 54.124 54.124 54.714 -0.590 18518 630 1 . 1 1 111 111 MET CB C 111 36.960 36.960 37.425 -0.465 18518 631 1 . 1 1 111 111 MET H H 111 9.658 9.658 9.004 0.654 18518 632 1 . 1 1 112 112 VAL N N 112 119.865 119.865 118.045 1.820 18518 633 1 . 1 1 112 112 VAL HA H 112 5.963 5.963 5.490 0.473 18518 634 1 . 1 1 112 112 VAL C C 112 175.058 175.058 174.376 0.682 18518 635 1 . 1 1 112 112 VAL CA C 112 58.911 58.911 59.769 -0.858 18518 636 1 . 1 1 112 112 VAL CB C 112 36.051 36.051 35.289 0.762 18518 637 1 . 1 1 112 112 VAL H H 112 8.794 8.794 9.043 -0.249 18518 638 1 . 1 1 113 113 TYR N N 113 119.664 119.664 120.443 -0.779 18518 639 1 . 1 1 113 113 TYR HA H 113 6.118 6.118 5.698 0.420 18518 640 1 . 1 1 113 113 TYR C C 113 173.375 173.375 173.492 -0.117 18518 641 1 . 1 1 113 113 TYR CA C 113 54.153 54.153 55.157 -1.004 18518 642 1 . 1 1 113 113 TYR CB C 113 43.312 43.312 41.853 1.459 18518 643 1 . 1 1 113 113 TYR H H 113 8.315 8.315 8.523 -0.208 18518 644 1 . 1 1 114 114 ALA N N 114 119.763 119.763 122.907 -3.144 18518 645 1 . 1 1 114 114 ALA HA H 114 4.800 4.800 4.971 -0.171 18518 646 1 . 1 1 114 114 ALA C C 114 176.216 176.216 175.158 1.058 18518 647 1 . 1 1 114 114 ALA CA C 114 51.132 51.132 51.881 -0.749 18518 648 1 . 1 1 114 114 ALA CB C 114 24.596 24.596 22.345 2.251 18518 649 1 . 1 1 114 114 ALA H H 114 8.465 8.465 8.894 -0.429 18518 650 1 . 1 1 115 115 SER N N 115 114.763 114.763 115.961 -1.198 18518 651 1 . 1 1 115 115 SER HA H 115 4.496 4.496 4.897 -0.401 18518 652 1 . 1 1 115 115 SER C C 115 172.671 172.671 173.703 -1.032 18518 653 1 . 1 1 115 115 SER CA C 115 58.651 58.651 57.599 1.052 18518 654 1 . 1 1 115 115 SER CB C 115 63.526 63.526 61.931 1.595 18518 655 1 . 1 1 115 115 SER H H 115 9.915 9.915 8.998 0.917 18518 656 1 . 1 1 116 116 GLN N N 116 116.611 116.611 123.746 -7.135 18518 657 1 . 1 1 116 116 GLN HA H 116 4.484 4.484 4.496 -0.012 18518 658 1 . 1 1 116 116 GLN C C 116 172.733 172.733 173.696 -0.963 18518 659 1 . 1 1 116 116 GLN CA C 116 53.926 53.926 55.825 -1.899 18518 660 1 . 1 1 116 116 GLN CB C 116 32.358 32.358 30.938 1.420 18518 661 1 . 1 1 116 116 GLN H H 116 7.219 7.219 8.000 -0.781 18518 662 1 . 1 1 117 117 GLU N N 117 117.623 117.623 121.060 -3.437 18518 663 1 . 1 1 117 117 GLU HA H 117 3.287 3.287 2.876 0.411 18518 664 1 . 1 1 117 117 GLU C C 117 175.168 175.168 175.522 -0.354 18518 665 1 . 1 1 117 117 GLU CA C 117 56.882 56.882 56.947 -0.065 18518 666 1 . 1 1 117 117 GLU CB C 117 30.522 30.522 29.667 0.855 18518 667 1 . 1 1 117 117 GLU H H 117 7.882 7.882 8.501 -0.619 18518 668 1 . 1 1 118 118 THR N N 118 109.820 109.820 110.287 -0.467 18518 669 1 . 1 1 118 118 THR HA H 118 4.066 4.066 4.307 -0.241 18518 670 1 . 1 1 118 118 THR C C 118 172.355 172.355 173.778 -1.423 18518 671 1 . 1 1 118 118 THR CA C 118 60.029 60.029 60.621 -0.592 18518 672 1 . 1 1 118 118 THR CB C 118 70.480 70.480 69.648 0.832 18518 673 1 . 1 1 118 118 THR H H 118 6.992 6.992 7.324 -0.332 18518 stop_ save_