NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20519 | 2fyj | 5961 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 1HT SER 1 34.029 -3.103 -6.014 2 2H SER 1 2HT SER 1 34.306 -4.757 -6.267 3 3H SER 1 3HT SER 1 35.010 -3.613 -7.298 4 HA SER 1 HA SER 1 36.570 -4.574 -5.678 5 1HB SER 1 2HB SER 1 36.032 -1.609 -5.360 6 2HB SER 1 1HB SER 1 37.571 -2.430 -5.091 7 HG SER 1 HG SER 1 37.598 -1.550 -7.135 8 H ALA 2 H ALA 2 36.713 -5.433 -3.710 9 HA ALA 2 HA ALA 2 34.763 -4.953 -1.691 10 1HB ALA 2 1HB ALA 2 36.129 -6.434 -0.299 11 2HB ALA 2 2HB ALA 2 37.419 -6.377 -1.503 12 3HB ALA 2 3HB ALA 2 35.871 -7.118 -1.905 13 H ARG 3 H ARG 3 34.753 -3.465 -0.135 14 HA ARG 3 HA ARG 3 35.358 -1.772 1.247 15 1HB ARG 3 2HB ARG 3 37.127 -2.970 2.213 16 2HB ARG 3 1HB ARG 3 38.058 -2.981 0.726 17 1HG ARG 3 2HG ARG 3 38.443 -0.537 1.016 18 2HG ARG 3 1HG ARG 3 37.635 -0.645 2.581 19 1HD ARG 3 2HD ARG 3 40.218 -0.800 2.494 20 2HD ARG 3 1HD ARG 3 39.330 -1.931 3.515 21 HE ARG 3 HE ARG 3 39.614 -3.592 1.745 22 1HH1 ARG 3 1HH1 ARG 3 41.701 -0.776 1.586 23 2HH1 ARG 3 2HH1 ARG 3 42.965 -1.631 0.754 24 1HH2 ARG 3 1HH2 ARG 3 41.286 -4.679 0.644 25 2HH2 ARG 3 2HH2 ARG 3 42.726 -3.819 0.200 26 H THR 4 H THR 4 38.072 -1.638 -1.036 27 HA THR 4 HA THR 4 37.019 0.542 -2.544 28 HB THR 4 HB THR 4 39.416 1.231 -0.822 29 HG1 THR 4 HG1 THR 4 36.682 1.454 -0.256 30 1HG2 THR 4 1HG2 THR 4 38.939 3.516 -1.569 31 2HG2 THR 4 2HG2 THR 4 37.559 2.933 -2.502 32 3HG2 THR 4 3HG2 THR 4 39.194 2.440 -2.943 33 H CYS 5 H CYS 5 40.159 -0.339 -1.354 34 HA CYS 5 HA CYS 5 41.249 -0.682 -4.023 35 1HB CYS 5 2HB CYS 5 42.308 0.488 -1.911 36 2HB CYS 5 1HB CYS 5 42.718 -1.150 -1.435 37 HA PRO 6 HA PRO 6 40.645 -5.075 -4.316 38 1HB PRO 6 2HB PRO 6 43.569 -5.175 -4.938 39 2HB PRO 6 1HB PRO 6 42.210 -5.906 -5.799 40 1HG PRO 6 2HG PRO 6 43.348 -3.721 -6.746 41 2HG PRO 6 1HG PRO 6 41.581 -3.889 -6.783 42 1HD PRO 6 2HD PRO 6 43.299 -2.260 -4.962 43 2HD PRO 6 1HD PRO 6 41.698 -1.887 -5.633 44 HA PRO 7 HA PRO 7 41.668 -7.253 -0.644 45 1HB PRO 7 2HB PRO 7 42.767 -9.616 -1.703 46 2HB PRO 7 1HB PRO 7 41.069 -9.316 -1.328 47 1HG PRO 7 2HG PRO 7 42.494 -9.139 -3.937 48 2HG PRO 7 1HG PRO 7 40.838 -9.668 -3.589 49 1HD PRO 7 2HD PRO 7 41.312 -7.264 -4.658 50 2HD PRO 7 1HD PRO 7 40.038 -7.486 -3.439 51 H ASN 8 H ASN 8 44.259 -7.837 -3.036 52 HA ASN 8 HA ASN 8 46.265 -7.874 -0.934 53 1HB ASN 8 2HB ASN 8 46.172 -9.367 -3.076 54 2HB ASN 8 1HB ASN 8 46.872 -7.965 -3.877 55 1HD2 ASN 8 1HD2 ASN 8 48.992 -7.335 -3.349 56 2HD2 ASN 8 2HD2 ASN 8 50.069 -8.393 -2.511 57 H GLN 9 H GLN 9 44.772 -5.433 -1.490 58 HA GLN 9 HA GLN 9 46.953 -3.635 -2.220 59 1HB GLN 9 2HB GLN 9 44.640 -4.154 -3.805 60 2HB GLN 9 1HB GLN 9 44.516 -2.521 -3.176 61 1HG GLN 9 2HG GLN 9 45.585 -2.374 -5.265 62 2HG GLN 9 1HG GLN 9 46.821 -2.106 -4.039 63 1HE2 GLN 9 1HE2 GLN 9 45.540 -5.270 -4.797 64 2HE2 GLN 9 2HE2 GLN 9 46.966 -5.888 -5.535 65 H PHE 10 H PHE 10 46.837 -1.626 -1.266 66 HA PHE 10 HA PHE 10 45.059 -1.541 1.062 67 1HB PHE 10 2HB PHE 10 47.223 -1.841 1.895 68 2HB PHE 10 1HB PHE 10 47.938 -0.776 0.692 69 HD1 PHE 10 HD1 PHE 10 45.758 -0.795 3.702 70 HD2 PHE 10 HD2 PHE 10 48.332 1.457 1.165 71 HE1 PHE 10 HE1 PHE 10 45.683 1.094 5.296 72 HE2 PHE 10 HE2 PHE 10 48.272 3.331 2.746 73 HZ PHE 10 HZ PHE 10 46.933 3.173 4.798 74 H SER 11 H SER 11 43.912 0.203 1.404 75 HA SER 11 HA SER 11 44.082 2.433 -0.412 76 1HB SER 11 2HB SER 11 41.738 2.901 0.516 77 2HB SER 11 1HB SER 11 41.909 1.445 -0.469 78 HG SER 11 HG SER 11 41.748 1.667 2.346 79 H CYS 12 H CYS 12 45.371 3.927 0.402 80 HA CYS 12 HA CYS 12 46.196 4.117 3.047 81 1HB CYS 12 2HB CYS 12 47.502 4.984 1.171 82 2HB CYS 12 1HB CYS 12 46.277 6.223 0.880 83 H ALA 13 H ALA 13 45.128 7.089 1.821 84 HA ALA 13 HA ALA 13 43.446 7.720 4.021 85 1HB ALA 13 1HB ALA 13 43.960 9.088 1.377 86 2HB ALA 13 2HB ALA 13 44.701 9.462 2.936 87 3HB ALA 13 3HB ALA 13 42.983 9.781 2.675 88 H SER 14 H SER 14 42.623 5.353 2.749 89 HA SER 14 HA SER 14 40.863 4.211 1.947 90 1HB SER 14 2HB SER 14 39.319 6.801 2.182 91 2HB SER 14 1HB SER 14 38.637 5.180 2.036 92 HG SER 14 HG SER 14 39.559 6.471 4.236 93 H GLY 15 H GLY 15 41.138 7.420 0.434 94 1HA GLY 15 2HA GLY 15 39.941 6.475 -2.021 95 2HA GLY 15 1HA GLY 15 40.594 8.080 -1.725 96 H ARG 16 H ARG 16 43.156 6.723 -0.751 97 HA ARG 16 HA ARG 16 44.346 6.546 -3.400 98 1HB ARG 16 2HB ARG 16 45.290 7.964 -1.527 99 2HB ARG 16 1HB ARG 16 45.718 6.466 -0.712 100 1HG ARG 16 2HG ARG 16 47.205 5.860 -2.487 101 2HG ARG 16 1HG ARG 16 46.678 7.241 -3.452 102 1HD ARG 16 2HD ARG 16 47.618 8.780 -1.862 103 2HD ARG 16 1HD ARG 16 48.009 7.460 -0.758 104 HE ARG 16 HE ARG 16 49.387 8.113 -3.255 105 1HH1 ARG 16 1HH1 ARG 16 49.122 6.172 -0.379 106 2HH1 ARG 16 2HH1 ARG 16 50.642 5.352 -0.609 107 1HH2 ARG 16 1HH2 ARG 16 51.397 7.029 -3.592 108 2HH2 ARG 16 2HH2 ARG 16 51.920 5.823 -2.447 109 H CYS 17 H CYS 17 45.332 4.663 -4.177 110 HA CYS 17 HA CYS 17 44.689 2.227 -2.683 111 1HB CYS 17 2HB CYS 17 42.843 2.721 -4.208 112 2HB CYS 17 1HB CYS 17 43.958 2.840 -5.557 113 H ILE 18 H ILE 18 46.611 1.407 -2.337 114 HA ILE 18 HA ILE 18 48.588 1.257 -4.527 115 HB ILE 18 HB ILE 18 50.326 1.879 -3.007 116 1HG1 ILE 18 2HG1 ILE 18 48.299 1.617 -0.780 117 2HG1 ILE 18 1HG1 ILE 18 49.522 0.405 -1.160 118 1HG2 ILE 18 1HG2 ILE 18 48.861 3.774 -3.646 119 2HG2 ILE 18 2HG2 ILE 18 49.569 3.999 -2.048 120 3HG2 ILE 18 3HG2 ILE 18 47.888 3.479 -2.198 121 1HD1 ILE 18 1HD1 ILE 18 50.296 1.674 0.681 122 2HD1 ILE 18 2HD1 ILE 18 49.953 3.190 -0.146 123 3HD1 ILE 18 3HD1 ILE 18 51.254 2.150 -0.724 124 HA PRO 19 HA PRO 19 48.821 -3.070 -3.317 125 1HB PRO 19 2HB PRO 19 51.744 -3.092 -3.435 126 2HB PRO 19 1HB PRO 19 50.577 -3.907 -4.481 127 1HG PRO 19 2HG PRO 19 52.089 -1.824 -5.322 128 2HG PRO 19 1HG PRO 19 50.458 -2.137 -5.943 129 1HD PRO 19 2HD PRO 19 51.361 -0.131 -3.910 130 2HD PRO 19 1HD PRO 19 50.158 0.040 -5.208 131 H ILE 20 H ILE 20 49.169 -4.359 -1.466 132 HA ILE 20 HA ILE 20 49.865 -2.858 0.891 133 HB ILE 20 HB ILE 20 49.263 -5.790 0.742 134 1HG1 ILE 20 2HG1 ILE 20 47.462 -3.392 0.991 135 2HG1 ILE 20 1HG1 ILE 20 47.334 -4.731 -0.142 136 1HG2 ILE 20 1HG2 ILE 20 49.219 -3.820 3.025 137 2HG2 ILE 20 2HG2 ILE 20 50.360 -5.145 2.796 138 3HG2 ILE 20 3HG2 ILE 20 48.661 -5.491 3.129 139 1HD1 ILE 20 1HD1 ILE 20 46.757 -4.787 2.810 140 2HD1 ILE 20 2HD1 ILE 20 46.757 -6.209 1.763 141 3HD1 ILE 20 3HD1 ILE 20 45.596 -4.910 1.484 142 H SER 21 H SER 21 51.704 -2.654 1.677 143 HA SER 21 HA SER 21 53.675 -4.063 2.589 144 1HB SER 21 2HB SER 21 53.846 -5.363 0.413 145 2HB SER 21 1HB SER 21 54.353 -3.867 -0.371 146 HG SER 21 HG SER 21 56.273 -4.095 0.461 147 H TRP 22 H TRP 22 52.653 -1.726 0.429 148 HA TRP 22 HA TRP 22 54.825 0.161 0.799 149 1HB TRP 22 2HB TRP 22 52.069 0.527 -0.385 150 2HB TRP 22 1HB TRP 22 53.362 1.710 -0.464 151 HD1 TRP 22 HD1 TRP 22 53.247 -2.058 -1.444 152 HE1 TRP 22 HE1 TRP 22 54.100 -2.242 -3.852 153 HE3 TRP 22 HE3 TRP 22 54.104 2.892 -2.389 154 HZ2 TRP 22 HZ2 TRP 22 55.037 -0.531 -5.891 155 HZ3 TRP 22 HZ3 TRP 22 54.986 3.534 -4.600 156 HH2 TRP 22 HH2 TRP 22 55.438 1.858 -6.311 157 H THR 23 H THR 23 52.288 -0.865 2.662 158 HA THR 23 HA THR 23 51.136 1.471 3.670 159 HB THR 23 HB THR 23 50.405 0.099 5.562 160 HG1 THR 23 HG1 THR 23 51.806 -1.368 6.185 161 1HG2 THR 23 1HG2 THR 23 49.242 -1.663 4.344 162 2HG2 THR 23 2HG2 THR 23 50.352 -1.479 2.987 163 3HG2 THR 23 3HG2 THR 23 49.248 -0.170 3.406 164 H CYS 24 H CYS 24 53.475 -0.595 5.196 165 HA CYS 24 HA CYS 24 54.511 1.553 6.795 166 1HB CYS 24 2HB CYS 24 55.089 -1.408 6.746 167 2HB CYS 24 1HB CYS 24 55.818 -0.266 7.875 168 H ASP 25 H ASP 25 55.566 2.798 5.227 169 HA ASP 25 HA ASP 25 57.775 1.462 3.787 170 1HB ASP 25 2HB ASP 25 55.881 2.008 2.305 171 2HB ASP 25 1HB ASP 25 55.992 3.694 2.789 172 H LEU 26 H LEU 26 56.729 4.075 5.731 173 HA LEU 26 HA LEU 26 57.836 5.656 6.872 174 1HB LEU 26 2HB LEU 26 60.238 4.441 5.552 175 2HB LEU 26 1HB LEU 26 60.367 5.977 6.387 176 HG LEU 26 HG LEU 26 59.407 3.412 7.662 177 1HD1 LEU 26 1HD1 LEU 26 61.574 3.450 8.823 178 2HD1 LEU 26 2HD1 LEU 26 62.073 4.809 7.816 179 3HD1 LEU 26 3HD1 LEU 26 61.748 3.239 7.083 180 1HD2 LEU 26 1HD2 LEU 26 59.648 4.650 9.752 181 2HD2 LEU 26 2HD2 LEU 26 58.485 5.435 8.685 182 3HD2 LEU 26 3HD2 LEU 26 60.110 6.098 8.852 183 H ASP 27 H ASP 27 56.439 6.932 5.664 184 HA ASP 27 HA ASP 27 56.144 9.043 4.885 185 1HB ASP 27 2HB ASP 27 59.095 8.815 4.535 186 2HB ASP 27 1HB ASP 27 58.245 10.166 3.793 187 H ASP 28 H ASP 28 58.360 7.377 2.599 188 HA ASP 28 HA ASP 28 57.913 9.171 0.571 189 1HB ASP 28 2HB ASP 28 59.665 7.258 0.793 190 2HB ASP 28 1HB ASP 28 58.503 6.334 -0.160 191 H ASP 29 H ASP 29 56.137 6.038 0.919 192 HA ASP 29 HA ASP 29 54.705 6.399 -1.464 193 1HB ASP 29 2HB ASP 29 54.762 4.195 -0.617 194 2HB ASP 29 1HB ASP 29 54.141 4.707 0.951 195 H CYS 30 H CYS 30 53.268 6.587 1.772 196 HA CYS 30 HA CYS 30 51.413 8.567 0.642 197 1HB CYS 30 2HB CYS 30 50.690 6.174 1.629 198 2HB CYS 30 1HB CYS 30 50.641 7.116 3.115 199 H GLY 31 H GLY 31 52.723 7.631 3.879 200 1HA GLY 31 2HA GLY 31 54.353 9.714 4.315 201 2HA GLY 31 1HA GLY 31 52.786 10.463 4.565 202 H ASP 32 H ASP 32 51.373 8.651 6.003 203 HA ASP 32 HA ASP 32 52.452 7.687 8.330 204 1HB ASP 32 2HB ASP 32 53.667 9.540 8.977 205 2HB ASP 32 1HB ASP 32 52.564 10.666 8.198 206 H ARG 33 H ARG 33 50.086 9.847 6.976 207 HA ARG 33 HA ARG 33 48.322 10.359 8.943 208 1HB ARG 33 2HB ARG 33 47.565 9.631 6.116 209 2HB ARG 33 1HB ARG 33 46.600 10.587 7.229 210 1HG ARG 33 2HG ARG 33 49.333 11.399 6.255 211 2HG ARG 33 1HG ARG 33 47.820 11.904 5.504 212 1HD ARG 33 2HD ARG 33 48.523 13.662 6.952 213 2HD ARG 33 1HD ARG 33 47.141 12.871 7.704 214 HE ARG 33 HE ARG 33 49.511 11.709 8.691 215 1HH1 ARG 33 1HH1 ARG 33 47.780 14.757 8.810 216 2HH1 ARG 33 2HH1 ARG 33 48.319 15.142 10.422 217 1HH2 ARG 33 1HH2 ARG 33 50.257 12.213 10.767 218 2HH2 ARG 33 2HH2 ARG 33 49.743 13.702 11.522 219 H SER 34 H SER 34 47.858 7.575 6.758 220 HA SER 34 HA SER 34 46.619 6.165 9.021 221 1HB SER 34 2HB SER 34 45.103 5.105 7.247 222 2HB SER 34 1HB SER 34 44.763 6.772 7.704 223 HG SER 34 HG SER 34 45.004 6.018 5.320 224 H ASP 35 H ASP 35 48.681 6.130 6.287 225 HA ASP 35 HA ASP 35 48.853 3.355 5.866 226 1HB ASP 35 2HB ASP 35 51.027 4.002 4.688 227 2HB ASP 35 1HB ASP 35 49.539 4.712 4.068 228 H GLU 36 H GLU 36 50.528 5.539 7.970 229 HA GLU 36 HA GLU 36 52.256 3.347 8.888 230 1HB GLU 36 2HB GLU 36 52.502 6.326 9.347 231 2HB GLU 36 1HB GLU 36 53.630 5.116 9.933 232 1HG GLU 36 2HG GLU 36 53.064 5.462 7.008 233 2HG GLU 36 1HG GLU 36 54.254 6.448 7.852 234 H SER 37 H SER 37 49.447 4.954 9.690 235 HA SER 37 HA SER 37 49.903 4.644 12.575 236 1HB SER 37 2HB SER 37 47.965 6.420 11.092 237 2HB SER 37 1HB SER 37 48.015 6.249 12.845 238 HG SER 37 HG SER 37 49.920 7.396 11.106 239 H ALA 38 H ALA 38 48.567 2.869 10.200 240 HA ALA 38 HA ALA 38 46.419 1.927 11.986 241 1HB ALA 38 1HB ALA 38 45.431 3.141 10.117 242 2HB ALA 38 2HB ALA 38 45.016 1.428 10.058 243 3HB ALA 38 3HB ALA 38 46.255 2.074 8.983 244 H SER 39 H SER 39 49.272 1.033 11.300 245 HA SER 39 HA SER 39 48.767 -1.755 11.434 246 1HB SER 39 2HB SER 39 49.901 -2.344 9.253 247 2HB SER 39 1HB SER 39 48.312 -1.599 9.073 248 HG SER 39 HG SER 39 50.861 -0.465 8.621 249 H CYS 40 H CYS 40 51.082 0.736 10.553 250 HA CYS 40 HA CYS 40 53.398 -0.742 10.927 251 1HB CYS 40 2HB CYS 40 52.969 2.234 11.039 252 2HB CYS 40 1HB CYS 40 54.513 1.418 10.780 253 H ALA 41 H ALA 41 54.077 -1.629 12.646 254 HA ALA 41 HA ALA 41 54.792 0.033 14.922 255 1HB ALA 41 1HB ALA 41 53.333 -2.606 15.199 256 2HB ALA 41 2HB ALA 41 52.724 -1.022 15.681 257 3HB ALA 41 3HB ALA 41 54.102 -1.733 16.522 258 H TYR 42 H TYR 42 56.341 -0.674 12.844 259 HA TYR 42 HA TYR 42 57.409 -3.365 13.197 260 1HB TYR 42 2HB TYR 42 58.429 -2.947 10.952 261 2HB TYR 42 1HB TYR 42 56.671 -2.870 10.985 262 HD1 TYR 42 HD1 TYR 42 55.520 -0.876 10.445 263 HD2 TYR 42 HD2 TYR 42 59.755 -0.834 10.761 264 HE1 TYR 42 HE1 TYR 42 55.574 1.334 9.381 265 HE2 TYR 42 HE2 TYR 42 59.818 1.386 9.704 266 HH TYR 42 HH TYR 42 56.837 3.147 8.949 267 HA PRO 43 HA PRO 43 61.561 -1.749 13.836 268 1HB PRO 43 2HB PRO 43 62.597 -3.990 14.861 269 2HB PRO 43 1HB PRO 43 61.488 -2.994 15.812 270 1HG PRO 43 2HG PRO 43 61.042 -5.630 14.558 271 2HG PRO 43 1HG PRO 43 60.194 -4.874 15.916 272 1HD PRO 43 2HD PRO 43 59.419 -4.958 13.124 273 2HD PRO 43 1HD PRO 43 58.509 -4.310 14.504 274 H THR 44 H THR 44 60.298 -3.297 11.383 275 HA THR 44 HA THR 44 62.808 -4.269 10.237 276 HB THR 44 HB THR 44 61.739 -6.211 11.330 277 HG1 THR 44 HG1 THR 44 61.946 -6.116 8.510 278 1HG2 THR 44 1HG2 THR 44 59.450 -5.691 9.419 279 2HG2 THR 44 2HG2 THR 44 59.398 -5.519 11.174 280 3HG2 THR 44 3HG2 THR 44 59.623 -7.112 10.449 281 H CYS 45 H CYS 45 60.876 -2.014 9.731 282 HA CYS 45 HA CYS 45 59.888 -0.908 8.019 283 1HB CYS 45 2HB CYS 45 61.086 -2.940 6.143 284 2HB CYS 45 1HB CYS 45 60.603 -1.281 5.772 285 H PHE 46 H PHE 46 59.666 -3.984 6.346 286 HA PHE 46 HA PHE 46 57.112 -4.652 7.355 287 1HB PHE 46 2HB PHE 46 56.829 -2.608 5.654 288 2HB PHE 46 1HB PHE 46 56.835 -3.930 4.486 289 HD1 PHE 46 HD1 PHE 46 55.505 -3.920 7.937 290 HD2 PHE 46 HD2 PHE 46 54.610 -4.027 3.784 291 HE1 PHE 46 HE1 PHE 46 53.155 -4.376 8.473 292 HE2 PHE 46 HE2 PHE 46 52.251 -4.485 4.304 293 HZ PHE 46 HZ PHE 46 51.516 -4.662 6.652 294 HA PRO 47 HA PRO 47 58.952 -8.304 5.663 295 1HB PRO 47 2HB PRO 47 57.447 -10.092 6.967 296 2HB PRO 47 1HB PRO 47 58.627 -9.083 7.815 297 1HG PRO 47 2HG PRO 47 55.660 -8.777 7.618 298 2HG PRO 47 1HG PRO 47 56.719 -8.549 9.020 299 1HD PRO 47 2HD PRO 47 55.757 -6.500 7.441 300 2HD PRO 47 1HD PRO 47 57.224 -6.402 8.436 301 H LEU 48 H LEU 48 56.684 -6.938 4.155 302 HA LEU 48 HA LEU 48 55.409 -9.316 3.026 303 1HB LEU 48 2HB LEU 48 54.845 -6.371 2.639 304 2HB LEU 48 1HB LEU 48 54.134 -7.609 1.620 305 HG LEU 48 HG LEU 48 53.693 -7.184 4.566 306 1HD1 LEU 48 1HD1 LEU 48 51.361 -6.972 3.887 307 2HD1 LEU 48 2HD1 LEU 48 51.820 -7.245 2.206 308 3HD1 LEU 48 3HD1 LEU 48 52.376 -5.797 3.048 309 1HD2 LEU 48 1HD2 LEU 48 52.269 -9.183 4.513 310 2HD2 LEU 48 2HD2 LEU 48 53.960 -9.573 4.201 311 3HD2 LEU 48 3HD2 LEU 48 52.810 -9.515 2.866 312 H THR 49 H THR 49 56.824 -6.348 1.658 313 HA THR 49 HA THR 49 58.772 -7.742 0.166 314 HB THR 49 HB THR 49 57.026 -8.508 -1.244 315 HG1 THR 49 HG1 THR 49 58.178 -6.219 -2.475 316 1HG2 THR 49 1HG2 THR 49 56.009 -5.676 -1.493 317 2HG2 THR 49 2HG2 THR 49 55.261 -6.946 -0.525 318 3HG2 THR 49 3HG2 THR 49 55.339 -7.105 -2.281 319 H GLN 50 H GLN 50 60.104 -6.216 1.033 320 HA GLN 50 HA GLN 50 60.056 -3.517 -0.036 321 1HB GLN 50 2HB GLN 50 59.756 -4.155 2.908 322 2HB GLN 50 1HB GLN 50 60.355 -2.606 2.338 323 1HG GLN 50 2HG GLN 50 57.696 -3.704 1.500 324 2HG GLN 50 1HG GLN 50 57.912 -2.747 2.966 325 1HE2 GLN 50 1HE2 GLN 50 58.391 -0.573 2.800 326 2HE2 GLN 50 2HE2 GLN 50 58.222 0.319 1.325 327 H PHE 51 H PHE 51 62.075 -2.329 0.669 328 HA PHE 51 HA PHE 51 64.227 -4.201 1.429 329 1HB PHE 51 2HB PHE 51 64.437 -3.411 -0.931 330 2HB PHE 51 1HB PHE 51 64.502 -1.754 -0.343 331 HD1 PHE 51 HD1 PHE 51 66.609 -0.801 -0.135 332 HD2 PHE 51 HD2 PHE 51 66.213 -5.019 0.257 333 HE1 PHE 51 HE1 PHE 51 69.030 -0.992 0.152 334 HE2 PHE 51 HE2 PHE 51 68.647 -5.219 0.528 335 HZ PHE 51 HZ PHE 51 70.062 -3.200 0.476 336 H THR 52 H THR 52 65.884 -3.315 2.782 337 HA THR 52 HA THR 52 64.930 -1.034 4.359 338 HB THR 52 HB THR 52 66.940 -3.149 5.172 339 HG1 THR 52 HG1 THR 52 64.300 -2.964 6.174 340 1HG2 THR 52 1HG2 THR 52 65.445 -1.084 6.786 341 2HG2 THR 52 2HG2 THR 52 67.157 -1.022 6.371 342 3HG2 THR 52 3HG2 THR 52 66.550 -2.295 7.431 343 H CYS 53 H CYS 53 65.807 0.700 3.417 344 HA CYS 53 HA CYS 53 68.293 1.004 2.235 345 1HB CYS 53 2HB CYS 53 66.487 2.647 2.145 346 2HB CYS 53 1HB CYS 53 66.731 3.010 3.849 347 H ASN 54 H ASN 54 70.331 1.623 2.963 348 HA ASN 54 HA ASN 54 70.914 0.543 5.573 349 1HB ASN 54 2HB ASN 54 72.623 1.423 3.261 350 2HB ASN 54 1HB ASN 54 73.327 0.998 4.818 351 1HD2 ASN 54 1HD2 ASN 54 71.341 -0.222 2.174 352 2HD2 ASN 54 2HD2 ASN 54 71.721 -1.888 2.429 353 H ASN 55 H ASN 55 70.497 3.676 4.241 354 HA ASN 55 HA ASN 55 71.968 5.123 6.161 355 1HB ASN 55 2HB ASN 55 71.105 6.065 4.026 356 2HB ASN 55 1HB ASN 55 69.474 5.973 4.674 357 1HD2 ASN 55 1HD2 ASN 55 72.586 7.524 4.967 358 2HD2 ASN 55 2HD2 ASN 55 72.029 8.908 5.838 359 H GLY 56 H GLY 56 69.262 3.179 6.481 360 1HA GLY 56 2HA GLY 56 68.455 2.756 8.745 361 2HA GLY 56 1HA GLY 56 68.540 4.491 9.027 362 H ARG 57 H ARG 57 67.477 4.206 5.988 363 HA ARG 57 HA ARG 57 64.712 4.688 6.751 364 1HB ARG 57 2HB ARG 57 65.749 4.647 3.932 365 2HB ARG 57 1HB ARG 57 64.429 5.592 4.608 366 1HG ARG 57 2HG ARG 57 65.840 7.179 5.487 367 2HG ARG 57 1HG ARG 57 67.222 6.079 5.539 368 1HD ARG 57 2HD ARG 57 67.210 6.066 3.046 369 2HD ARG 57 1HD ARG 57 65.977 7.326 3.092 370 HE ARG 57 HE ARG 57 68.017 8.321 4.610 371 1HH1 ARG 57 1HH1 ARG 57 67.778 7.087 1.341 372 2HH1 ARG 57 2HH1 ARG 57 69.074 8.070 0.739 373 1HH2 ARG 57 1HH2 ARG 57 69.726 9.631 3.798 374 2HH2 ARG 57 2HH2 ARG 57 70.178 9.503 2.127 375 H CYS 58 H CYS 58 62.972 3.587 5.524 376 HA CYS 58 HA CYS 58 63.769 0.964 4.467 377 1HB CYS 58 2HB CYS 58 61.101 1.892 5.570 378 2HB CYS 58 1HB CYS 58 61.450 0.275 4.953 379 H ILE 59 H ILE 59 63.033 0.421 2.384 380 HA ILE 59 HA ILE 59 61.582 2.528 0.981 381 HB ILE 59 HB ILE 59 63.090 2.333 -0.989 382 1HG1 ILE 59 2HG1 ILE 59 65.017 1.051 0.957 383 2HG1 ILE 59 1HG1 ILE 59 64.132 0.169 -0.286 384 1HG2 ILE 59 1HG2 ILE 59 64.848 3.800 -0.069 385 2HG2 ILE 59 2HG2 ILE 59 64.292 3.404 1.557 386 3HG2 ILE 59 3HG2 ILE 59 63.224 4.261 0.447 387 1HD1 ILE 59 1HD1 ILE 59 65.234 1.384 -2.031 388 2HD1 ILE 59 2HD1 ILE 59 66.455 0.747 -0.921 389 3HD1 ILE 59 3HD1 ILE 59 66.003 2.448 -0.849 390 H ASN 60 H ASN 60 60.771 1.849 -1.149 391 HA ASN 60 HA ASN 60 59.501 -0.672 -0.961 392 1HB ASN 60 2HB ASN 60 58.502 1.290 -2.101 393 2HB ASN 60 1HB ASN 60 59.704 1.133 -3.379 394 1HD2 ASN 60 1HD2 ASN 60 56.984 -0.383 -1.818 395 2HD2 ASN 60 2HD2 ASN 60 56.539 -1.390 -3.153 396 H ILE 61 H ILE 61 59.748 -2.535 -2.172 397 HA ILE 61 HA ILE 61 62.469 -3.284 -2.463 398 HB ILE 61 HB ILE 61 60.588 -4.742 -1.643 399 1HG1 ILE 61 2HG1 ILE 61 61.507 -6.803 -2.620 400 2HG1 ILE 61 1HG1 ILE 61 62.272 -5.866 -3.900 401 1HG2 ILE 61 1HG2 ILE 61 59.307 -5.970 -3.355 402 2HG2 ILE 61 2HG2 ILE 61 60.001 -4.932 -4.599 403 3HG2 ILE 61 3HG2 ILE 61 58.953 -4.244 -3.359 404 1HD1 ILE 61 1HD1 ILE 61 63.881 -6.505 -2.208 405 2HD1 ILE 61 2HD1 ILE 61 62.910 -5.721 -0.964 406 3HD1 ILE 61 3HD1 ILE 61 63.671 -4.755 -2.226 407 H ASN 62 H ASN 62 60.480 -1.756 -4.695 408 HA ASN 62 HA ASN 62 61.551 -3.258 -6.985 409 1HB ASN 62 2HB ASN 62 59.030 -2.878 -6.630 410 2HB ASN 62 1HB ASN 62 59.338 -1.219 -7.124 411 1HD2 ASN 62 1HD2 ASN 62 59.392 -4.559 -8.143 412 2HD2 ASN 62 2HD2 ASN 62 59.375 -4.240 -9.839 413 H TRP 63 H TRP 63 63.125 -1.267 -5.505 414 HA TRP 63 HA TRP 63 63.435 0.784 -7.599 415 1HB TRP 63 2HB TRP 63 64.321 0.861 -4.708 416 2HB TRP 63 1HB TRP 63 64.649 2.121 -5.889 417 HD1 TRP 63 HD1 TRP 63 61.198 0.735 -6.216 418 HE1 TRP 63 HE1 TRP 63 59.483 2.376 -5.232 419 HE3 TRP 63 HE3 TRP 63 64.406 3.907 -3.818 420 HZ2 TRP 63 HZ2 TRP 63 59.488 4.708 -3.643 421 HZ3 TRP 63 HZ3 TRP 63 63.472 5.820 -2.582 422 HH2 TRP 63 HH2 TRP 63 61.061 6.211 -2.497 423 H ARG 64 H ARG 64 64.531 -2.094 -6.994 424 HA ARG 64 HA ARG 64 67.330 -2.001 -7.062 425 1HB ARG 64 2HB ARG 64 65.715 -3.993 -8.661 426 2HB ARG 64 1HB ARG 64 67.289 -4.227 -7.922 427 1HG ARG 64 2HG ARG 64 64.721 -3.863 -6.397 428 2HG ARG 64 1HG ARG 64 65.449 -5.421 -6.781 429 1HD ARG 64 2HD ARG 64 66.834 -3.260 -5.203 430 2HD ARG 64 1HD ARG 64 65.903 -4.560 -4.468 431 HE ARG 64 HE ARG 64 67.911 -5.576 -6.207 432 1HH1 ARG 64 1HH1 ARG 64 67.419 -4.185 -3.029 433 2HH1 ARG 64 2HH1 ARG 64 68.874 -4.859 -2.369 434 1HH2 ARG 64 1HH2 ARG 64 69.821 -6.498 -5.298 435 2HH2 ARG 64 2HH2 ARG 64 70.209 -6.173 -3.636 436 H CYS 65 H CYS 65 68.485 -0.737 -8.483 437 HA CYS 65 HA CYS 65 67.599 -0.759 -11.290 438 1HB CYS 65 2HB CYS 65 67.681 1.480 -10.044 439 2HB CYS 65 1HB CYS 65 69.432 1.320 -10.125 440 H ASP 66 H ASP 66 70.646 -0.133 -9.629 441 HA ASP 66 HA ASP 66 72.261 -1.110 -11.740 442 1HB ASP 66 2HB ASP 66 74.118 -0.751 -10.269 443 2HB ASP 66 1HB ASP 66 72.957 0.524 -9.914 444 H ASN 67 H ASN 67 71.226 -2.430 -8.683 445 HA ASN 67 HA ASN 67 71.250 -5.129 -9.345 446 1HB ASN 67 2HB ASN 67 73.631 -5.121 -9.491 447 2HB ASN 67 1HB ASN 67 73.788 -4.064 -8.095 448 1HD2 ASN 67 1HD2 ASN 67 73.711 -4.920 -6.048 449 2HD2 ASN 67 2HD2 ASN 67 73.781 -6.620 -5.739 450 H ASP 68 H ASP 68 71.799 -2.617 -6.947 451 HA ASP 68 HA ASP 68 70.109 -4.136 -5.077 452 1HB ASP 68 2HB ASP 68 72.458 -3.344 -4.353 453 2HB ASP 68 1HB ASP 68 71.733 -1.739 -4.266 454 H ASN 69 H ASN 69 69.391 -1.778 -3.497 455 HA ASN 69 HA ASN 69 67.201 -1.056 -5.349 456 1HB ASN 69 2HB ASN 69 66.854 -2.668 -3.333 457 2HB ASN 69 1HB ASN 69 66.885 -1.196 -2.375 458 1HD2 ASN 69 1HD2 ASN 69 65.240 0.305 -2.623 459 2HD2 ASN 69 2HD2 ASN 69 63.717 -0.130 -3.323 460 H ASP 70 H ASP 70 67.241 0.987 -5.909 461 HA ASP 70 HA ASP 70 68.735 3.072 -5.110 462 1HB ASP 70 2HB ASP 70 66.070 2.850 -6.357 463 2HB ASP 70 1HB ASP 70 66.481 4.430 -5.706 464 H CYS 71 H CYS 71 69.051 4.149 -3.303 465 HA CYS 71 HA CYS 71 66.684 5.074 -1.849 466 1HB CYS 71 2HB CYS 71 67.599 3.152 -0.584 467 2HB CYS 71 1HB CYS 71 69.142 3.996 -0.453 468 H GLY 72 H GLY 72 70.255 5.356 -1.820 469 1HA GLY 72 2HA GLY 72 71.252 7.373 -2.727 470 2HA GLY 72 1HA GLY 72 69.867 8.265 -2.124 471 H ASP 73 H ASP 73 72.488 6.190 -0.909 472 HA ASP 73 HA ASP 73 73.493 8.346 0.674 473 1HB ASP 73 2HB ASP 73 73.433 6.975 2.830 474 2HB ASP 73 1HB ASP 73 71.921 7.716 2.315 475 H ASN 74 H ASN 74 73.792 4.854 1.234 476 HA ASN 74 HA ASN 74 76.241 4.677 -0.244 477 1HB ASN 74 2HB ASN 74 77.722 4.149 1.552 478 2HB ASN 74 1HB ASN 74 76.938 5.662 1.967 479 1HD2 ASN 74 1HD2 ASN 74 74.440 4.390 2.846 480 2HD2 ASN 74 2HD2 ASN 74 74.820 3.636 4.352 481 H SER 75 H SER 75 73.524 3.532 0.057 482 HA SER 75 HA SER 75 73.950 0.807 0.929 483 1HB SER 75 2HB SER 75 71.424 0.846 0.047 484 2HB SER 75 1HB SER 75 71.874 1.463 1.637 485 HG SER 75 HG SER 75 71.005 2.805 -0.614 486 H ASP 76 H ASP 76 71.755 1.474 -1.531 487 HA ASP 76 HA ASP 76 72.273 -0.646 -3.211 488 1HB ASP 76 2HB ASP 76 70.941 0.849 -4.853 489 2HB ASP 76 1HB ASP 76 70.172 0.374 -3.339 490 H GLU 77 H GLU 77 73.025 2.730 -3.637 491 HA GLU 77 HA GLU 77 75.424 2.604 -4.991 492 1HB GLU 77 2HB GLU 77 74.830 2.970 -7.311 493 2HB GLU 77 1HB GLU 77 74.093 1.465 -6.779 494 1HG GLU 77 2HG GLU 77 71.948 2.473 -6.636 495 2HG GLU 77 1HG GLU 77 72.618 4.088 -6.859 496 H ALA 78 H ALA 78 72.434 4.069 -4.232 497 HA ALA 78 HA ALA 78 72.158 6.011 -3.068 498 1HB ALA 78 1HB ALA 78 74.817 6.935 -4.151 499 2HB ALA 78 2HB ALA 78 74.538 6.206 -2.569 500 3HB ALA 78 3HB ALA 78 73.826 7.771 -2.955 501 H GLY 79 H GLY 79 71.641 5.289 -5.987 502 1HA GLY 79 2HA GLY 79 69.729 6.770 -6.761 503 2HA GLY 79 1HA GLY 79 70.940 8.037 -6.811 504 H CYS 80 H CYS 80 69.647 5.226 -8.346 505 HA CYS 80 HA CYS 80 71.513 5.014 -10.475 506 1HB CYS 80 2HB CYS 80 69.769 3.303 -9.818 507 2HB CYS 80 1HB CYS 80 68.559 4.349 -10.552 508 H SER 81 H SER 81 72.011 6.939 -11.406 509 HA SER 81 HA SER 81 69.797 8.736 -12.101 510 1HB SER 81 2HB SER 81 72.738 9.382 -11.801 511 2HB SER 81 1HB SER 81 71.422 10.541 -12.003 512 HG SER 81 HG SER 81 71.636 8.712 -9.831 513 H HIS 82 HN HIS 82 69.945 9.996 -14.038 514 HA HIS 82 HA HIS 82 71.802 9.274 -16.103 515 1HB HIS 82 2HB HIS 82 69.281 7.942 -15.996 516 2HB HIS 82 1HB HIS 82 69.255 9.048 -17.367 517 HD1 HIS 82 HD1 HIS 82 71.596 6.361 -15.984 518 HD2 HIS 82 HD2 HIS 82 70.336 8.007 -19.587 519 HE1 HIS 82 HE1 HIS 82 72.691 4.996 -17.811 Start of MODEL 2 1 1H SER 1 1HT SER 1 43.546 -0.885 2.590 2 2H SER 1 2HT SER 1 44.009 -1.798 3.941 3 3H SER 1 3HT SER 1 42.525 -2.093 3.191 4 HA SER 1 HA SER 1 45.174 -2.493 1.954 5 1HB SER 1 2HB SER 1 43.220 -4.623 2.823 6 2HB SER 1 1HB SER 1 44.897 -4.830 2.312 7 HG SER 1 HG SER 1 45.349 -4.665 4.356 8 H ALA 2 H ALA 2 41.992 -4.062 1.618 9 HA ALA 2 HA ALA 2 42.099 -3.363 -1.238 10 1HB ALA 2 1HB ALA 2 42.450 -5.753 -0.819 11 2HB ALA 2 2HB ALA 2 40.958 -5.454 -1.707 12 3HB ALA 2 3HB ALA 2 40.896 -5.826 0.017 13 H ARG 3 H ARG 3 40.389 -2.479 -2.168 14 HA ARG 3 HA ARG 3 37.717 -2.831 -1.631 15 1HB ARG 3 2HB ARG 3 37.002 -0.758 -0.555 16 2HB ARG 3 1HB ARG 3 38.069 -1.658 0.511 17 1HG ARG 3 2HG ARG 3 39.861 -0.157 0.126 18 2HG ARG 3 1HG ARG 3 39.013 0.615 -1.216 19 1HD ARG 3 2HD ARG 3 38.981 1.954 0.872 20 2HD ARG 3 1HD ARG 3 37.376 1.538 0.272 21 HE ARG 3 HE ARG 3 38.204 -0.398 2.139 22 1HH1 ARG 3 1HH1 ARG 3 37.165 2.944 1.984 23 2HH1 ARG 3 2HH1 ARG 3 36.508 2.947 3.590 24 1HH2 ARG 3 1HH2 ARG 3 37.329 -0.401 4.256 25 2HH2 ARG 3 2HH2 ARG 3 36.612 1.042 4.889 26 H THR 4 H THR 4 40.302 -0.860 -2.790 27 HA THR 4 HA THR 4 38.608 0.027 -5.029 28 HB THR 4 HB THR 4 40.914 1.581 -3.828 29 HG1 THR 4 HG1 THR 4 38.138 1.600 -3.285 30 1HG2 THR 4 1HG2 THR 4 39.954 3.460 -5.120 31 2HG2 THR 4 2HG2 THR 4 38.761 2.360 -5.809 32 3HG2 THR 4 3HG2 THR 4 40.474 2.134 -6.162 33 H CYS 5 H CYS 5 41.328 -1.684 -4.041 34 HA CYS 5 HA CYS 5 42.593 -1.444 -6.677 35 1HB CYS 5 2HB CYS 5 44.004 -1.577 -4.000 36 2HB CYS 5 1HB CYS 5 44.790 -1.555 -5.575 37 HA PRO 6 HA PRO 6 42.837 -5.874 -6.974 38 1HB PRO 6 2HB PRO 6 45.708 -5.515 -7.648 39 2HB PRO 6 1HB PRO 6 44.430 -6.320 -8.564 40 1HG PRO 6 2HG PRO 6 45.353 -3.942 -9.319 41 2HG PRO 6 1HG PRO 6 43.625 -4.329 -9.441 42 1HD PRO 6 2HD PRO 6 45.058 -2.662 -7.412 43 2HD PRO 6 1HD PRO 6 43.476 -2.399 -8.174 44 HA PRO 7 HA PRO 7 44.346 -7.747 -3.337 45 1HB PRO 7 2HB PRO 7 45.771 -9.771 -4.991 46 2HB PRO 7 1HB PRO 7 44.590 -10.000 -3.696 47 1HG PRO 7 2HG PRO 7 43.876 -10.335 -6.229 48 2HG PRO 7 1HG PRO 7 42.784 -9.533 -5.086 49 1HD PRO 7 2HD PRO 7 44.514 -8.339 -7.208 50 2HD PRO 7 1HD PRO 7 42.874 -7.884 -6.703 51 H ASN 8 H ASN 8 46.868 -7.423 -5.825 52 HA ASN 8 HA ASN 8 48.895 -7.472 -3.731 53 1HB ASN 8 2HB ASN 8 50.526 -7.816 -5.377 54 2HB ASN 8 1HB ASN 8 49.155 -8.788 -5.888 55 1HD2 ASN 8 1HD2 ASN 8 51.279 -6.247 -6.657 56 2HD2 ASN 8 2HD2 ASN 8 50.633 -5.870 -8.210 57 H GLN 9 H GLN 9 46.911 -5.276 -4.437 58 HA GLN 9 HA GLN 9 48.838 -3.065 -4.519 59 1HB GLN 9 2HB GLN 9 46.329 -3.457 -6.050 60 2HB GLN 9 1HB GLN 9 46.527 -1.873 -5.309 61 1HG GLN 9 2HG GLN 9 47.299 -2.068 -7.672 62 2HG GLN 9 1HG GLN 9 48.484 -1.443 -6.529 63 1HE2 GLN 9 1HE2 GLN 9 47.512 -4.261 -8.340 64 2HE2 GLN 9 2HE2 GLN 9 49.030 -5.072 -8.286 65 H PHE 10 H PHE 10 47.975 -1.141 -3.424 66 HA PHE 10 HA PHE 10 46.262 -1.928 -1.188 67 1HB PHE 10 2HB PHE 10 48.469 -1.677 -0.355 68 2HB PHE 10 1HB PHE 10 48.702 -0.165 -1.227 69 HD1 PHE 10 HD1 PHE 10 46.442 -1.647 1.348 70 HD2 PHE 10 HD2 PHE 10 48.473 1.815 -0.061 71 HE1 PHE 10 HE1 PHE 10 45.630 -0.380 3.301 72 HE2 PHE 10 HE2 PHE 10 47.655 3.090 1.877 73 HZ PHE 10 HZ PHE 10 46.236 1.991 3.561 74 H SER 11 H SER 11 44.469 -0.938 -1.189 75 HA SER 11 HA SER 11 44.160 1.641 -2.439 76 1HB SER 11 2HB SER 11 41.660 1.109 -2.066 77 2HB SER 11 1HB SER 11 42.515 0.215 -3.317 78 HG SER 11 HG SER 11 42.862 -1.259 -1.263 79 H CYS 12 H CYS 12 44.366 3.230 -1.227 80 HA CYS 12 HA CYS 12 44.325 3.093 1.611 81 1HB CYS 12 2HB CYS 12 45.827 4.556 0.245 82 2HB CYS 12 1HB CYS 12 44.425 5.537 -0.158 83 H ALA 13 H ALA 13 43.121 5.667 2.144 84 HA ALA 13 HA ALA 13 40.505 4.823 2.693 85 1HB ALA 13 1HB ALA 13 40.114 7.084 3.511 86 2HB ALA 13 2HB ALA 13 41.600 7.630 2.729 87 3HB ALA 13 3HB ALA 13 41.675 6.473 4.059 88 H SER 14 H SER 14 39.628 4.140 0.789 89 HA SER 14 HA SER 14 38.327 4.258 -1.065 90 1HB SER 14 2HB SER 14 37.210 6.607 0.464 91 2HB SER 14 1HB SER 14 36.361 5.626 -0.731 92 HG SER 14 HG SER 14 35.977 5.063 1.526 93 H GLY 15 H GLY 15 40.179 4.924 -2.425 94 1HA GLY 15 2HA GLY 15 39.462 6.374 -4.513 95 2HA GLY 15 1HA GLY 15 39.931 7.667 -3.421 96 H ARG 16 H ARG 16 42.153 6.260 -2.225 97 HA ARG 16 HA ARG 16 44.073 6.791 -4.324 98 1HB ARG 16 2HB ARG 16 44.381 6.104 -1.401 99 2HB ARG 16 1HB ARG 16 45.756 6.209 -2.487 100 1HG ARG 16 2HG ARG 16 45.604 8.263 -1.306 101 2HG ARG 16 1HG ARG 16 45.094 8.575 -2.965 102 1HD ARG 16 2HD ARG 16 42.908 7.818 -1.189 103 2HD ARG 16 1HD ARG 16 43.726 9.299 -0.697 104 HE ARG 16 HE ARG 16 43.305 9.741 -3.307 105 1HH1 ARG 16 1HH1 ARG 16 41.151 8.635 -0.761 106 2HH1 ARG 16 2HH1 ARG 16 39.738 9.308 -1.503 107 1HH2 ARG 16 1HH2 ARG 16 41.451 10.641 -4.260 108 2HH2 ARG 16 2HH2 ARG 16 39.910 10.463 -3.474 109 H CYS 17 H CYS 17 45.495 5.285 -5.196 110 HA CYS 17 HA CYS 17 44.957 2.483 -4.633 111 1HB CYS 17 2HB CYS 17 43.456 3.479 -6.550 112 2HB CYS 17 1HB CYS 17 44.927 3.306 -7.508 113 H ILE 18 H ILE 18 46.952 2.095 -3.973 114 HA ILE 18 HA ILE 18 49.165 2.624 -5.848 115 HB ILE 18 HB ILE 18 50.528 3.301 -4.064 116 1HG1 ILE 18 2HG1 ILE 18 48.554 1.990 -2.184 117 2HG1 ILE 18 1HG1 ILE 18 50.105 1.299 -2.667 118 1HG2 ILE 18 1HG2 ILE 18 48.650 4.886 -4.391 119 2HG2 ILE 18 2HG2 ILE 18 49.249 4.896 -2.731 120 3HG2 ILE 18 3HG2 ILE 18 47.749 4.044 -3.124 121 1HD1 ILE 18 1HD1 ILE 18 50.304 2.283 -0.490 122 2HD1 ILE 18 2HD1 ILE 18 49.662 3.813 -1.093 123 3HD1 ILE 18 3HD1 ILE 18 51.233 3.234 -1.653 124 HA PRO 19 HA PRO 19 49.934 -1.777 -5.098 125 1HB PRO 19 2HB PRO 19 52.806 -1.533 -4.817 126 2HB PRO 19 1HB PRO 19 51.872 -2.152 -6.187 127 1HG PRO 19 2HG PRO 19 53.287 0.182 -6.275 128 2HG PRO 19 1HG PRO 19 51.834 -0.117 -7.244 129 1HD PRO 19 2HD PRO 19 52.113 1.409 -4.674 130 2HD PRO 19 1HD PRO 19 51.179 1.824 -6.131 131 H ILE 20 H ILE 20 50.619 -3.371 -3.543 132 HA ILE 20 HA ILE 20 50.042 -2.657 -0.914 133 HB ILE 20 HB ILE 20 51.114 -5.110 -2.216 134 1HG1 ILE 20 2HG1 ILE 20 48.702 -4.617 -2.190 135 2HG1 ILE 20 1HG1 ILE 20 49.084 -6.106 -1.334 136 1HG2 ILE 20 1HG2 ILE 20 51.215 -6.320 -0.097 137 2HG2 ILE 20 2HG2 ILE 20 50.965 -4.806 0.772 138 3HG2 ILE 20 3HG2 ILE 20 52.427 -5.043 -0.183 139 1HD1 ILE 20 1HD1 ILE 20 48.492 -3.437 -0.077 140 2HD1 ILE 20 2HD1 ILE 20 48.915 -4.910 0.797 141 3HD1 ILE 20 3HD1 ILE 20 47.418 -4.835 -0.133 142 H SER 21 H SER 21 53.144 -2.858 -2.505 143 HA SER 21 HA SER 21 54.703 -3.099 -0.139 144 1HB SER 21 2HB SER 21 55.560 -2.180 -2.891 145 2HB SER 21 1HB SER 21 56.590 -2.871 -1.635 146 HG SER 21 HG SER 21 55.112 -4.760 -1.805 147 H TRP 22 H TRP 22 52.838 -0.640 -0.597 148 HA TRP 22 HA TRP 22 54.882 1.453 -0.157 149 1HB TRP 22 2HB TRP 22 52.279 1.693 -1.656 150 2HB TRP 22 1HB TRP 22 53.356 3.035 -1.298 151 HD1 TRP 22 HD1 TRP 22 53.954 -0.428 -2.921 152 HE1 TRP 22 HE1 TRP 22 55.223 -0.054 -5.092 153 HE3 TRP 22 HE3 TRP 22 54.250 4.652 -2.810 154 HZ2 TRP 22 HZ2 TRP 22 56.258 2.116 -6.598 155 HZ3 TRP 22 HZ3 TRP 22 55.399 5.810 -4.649 156 HH2 TRP 22 HH2 TRP 22 56.383 4.570 -6.508 157 H THR 23 H THR 23 53.020 -0.113 1.792 158 HA THR 23 HA THR 23 51.314 1.963 2.797 159 HB THR 23 HB THR 23 50.908 0.392 4.672 160 HG1 THR 23 HG1 THR 23 53.224 -0.531 4.160 161 1HG2 THR 23 1HG2 THR 23 49.589 0.198 2.598 162 2HG2 THR 23 2HG2 THR 23 49.823 -1.369 3.373 163 3HG2 THR 23 3HG2 THR 23 50.778 -0.936 1.954 164 H CYS 24 H CYS 24 51.768 1.750 5.514 165 HA CYS 24 HA CYS 24 53.365 3.535 6.463 166 1HB CYS 24 2HB CYS 24 52.815 0.790 7.357 167 2HB CYS 24 1HB CYS 24 54.031 1.702 8.253 168 H ASP 25 H ASP 25 55.231 4.063 5.312 169 HA ASP 25 HA ASP 25 57.502 2.574 6.334 170 1HB ASP 25 2HB ASP 25 58.759 3.033 4.146 171 2HB ASP 25 1HB ASP 25 57.623 1.699 4.172 172 H LEU 26 H LEU 26 57.627 5.205 4.035 173 HA LEU 26 HA LEU 26 58.209 7.104 6.178 174 1HB LEU 26 2HB LEU 26 60.105 6.616 3.875 175 2HB LEU 26 1HB LEU 26 60.276 7.857 5.098 176 HG LEU 26 HG LEU 26 60.409 4.885 5.627 177 1HD1 LEU 26 1HD1 LEU 26 62.789 5.238 5.935 178 2HD1 LEU 26 2HD1 LEU 26 62.610 6.938 5.502 179 3HD1 LEU 26 3HD1 LEU 26 62.301 5.684 4.300 180 1HD2 LEU 26 1HD2 LEU 26 61.245 5.535 7.826 181 2HD2 LEU 26 2HD2 LEU 26 59.614 6.155 7.553 182 3HD2 LEU 26 3HD2 LEU 26 61.003 7.236 7.421 183 H ASP 27 H ASP 27 56.522 6.419 3.441 184 HA ASP 27 HA ASP 27 56.821 9.077 2.253 185 1HB ASP 27 2HB ASP 27 56.813 6.918 0.852 186 2HB ASP 27 1HB ASP 27 55.075 6.896 1.137 187 H ASP 28 H ASP 28 54.694 10.025 1.376 188 HA ASP 28 HA ASP 28 52.945 10.227 3.745 189 1HB ASP 28 2HB ASP 28 54.616 12.068 3.548 190 2HB ASP 28 1HB ASP 28 53.923 12.495 1.990 191 H ASP 29 H ASP 29 52.712 8.918 0.933 192 HA ASP 29 HA ASP 29 50.712 10.290 -0.487 193 1HB ASP 29 2HB ASP 29 50.349 8.326 -1.724 194 2HB ASP 29 1HB ASP 29 52.024 8.175 -1.208 195 H CYS 30 H CYS 30 50.564 8.030 2.152 196 HA CYS 30 HA CYS 30 47.997 9.199 2.916 197 1HB CYS 30 2HB CYS 30 48.544 6.274 2.520 198 2HB CYS 30 1HB CYS 30 47.363 6.805 3.717 199 H GLY 31 H GLY 31 50.659 9.681 3.827 200 1HA GLY 31 2HA GLY 31 51.179 8.291 6.273 201 2HA GLY 31 1HA GLY 31 51.945 9.778 5.738 202 H ASP 32 H ASP 32 48.651 8.847 6.574 203 HA ASP 32 HA ASP 32 48.230 10.281 8.894 204 1HB ASP 32 2HB ASP 32 48.736 12.352 7.767 205 2HB ASP 32 1HB ASP 32 47.738 11.911 6.385 206 H ARG 33 H ARG 33 46.991 9.450 5.730 207 HA ARG 33 HA ARG 33 44.238 9.408 6.510 208 1HB ARG 33 2HB ARG 33 45.567 8.291 4.040 209 2HB ARG 33 1HB ARG 33 43.842 8.539 4.258 210 1HG ARG 33 2HG ARG 33 45.843 10.772 4.370 211 2HG ARG 33 1HG ARG 33 45.055 10.255 2.880 212 1HD ARG 33 2HD ARG 33 43.493 11.772 3.419 213 2HD ARG 33 1HD ARG 33 42.921 10.545 4.546 214 HE ARG 33 HE ARG 33 44.653 11.807 6.101 215 1HH1 ARG 33 1HH1 ARG 33 42.339 13.168 3.847 216 2HH1 ARG 33 2HH1 ARG 33 42.150 14.643 4.734 217 1HH2 ARG 33 1HH2 ARG 33 44.415 13.710 7.277 218 2HH2 ARG 33 2HH2 ARG 33 43.340 14.961 6.703 219 H SER 34 H SER 34 45.189 7.845 8.349 220 HA SER 34 HA SER 34 44.545 5.959 9.428 221 1HB SER 34 2HB SER 34 43.293 5.099 6.819 222 2HB SER 34 1HB SER 34 43.000 4.380 8.402 223 HG SER 34 HG SER 34 42.623 7.036 8.523 224 H ASP 35 H ASP 35 46.220 5.616 6.371 225 HA ASP 35 HA ASP 35 46.956 2.918 6.560 226 1HB ASP 35 2HB ASP 35 47.275 4.159 4.499 227 2HB ASP 35 1HB ASP 35 48.473 5.194 5.275 228 H GLU 36 H GLU 36 48.113 5.641 8.271 229 HA GLU 36 HA GLU 36 50.569 4.253 9.082 230 1HB GLU 36 2HB GLU 36 49.703 7.137 9.369 231 2HB GLU 36 1HB GLU 36 51.220 6.495 9.979 232 1HG GLU 36 2HG GLU 36 50.435 6.393 7.082 233 2HG GLU 36 1HG GLU 36 51.334 7.730 7.793 234 H SER 37 H SER 37 47.757 3.814 9.998 235 HA SER 37 HA SER 37 48.509 3.607 12.808 236 1HB SER 37 2HB SER 37 45.788 4.582 11.897 237 2HB SER 37 1HB SER 37 46.290 4.308 13.565 238 HG SER 37 HG SER 37 48.089 5.904 12.546 239 H ALA 38 H ALA 38 48.065 2.001 10.195 240 HA ALA 38 HA ALA 38 46.597 -0.184 11.469 241 1HB ALA 38 1HB ALA 38 44.977 1.042 10.102 242 2HB ALA 38 2HB ALA 38 45.253 -0.588 9.493 243 3HB ALA 38 3HB ALA 38 45.996 0.791 8.686 244 H SER 39 H SER 39 48.885 0.886 9.012 245 HA SER 39 HA SER 39 49.457 -1.923 8.356 246 1HB SER 39 2HB SER 39 50.427 0.526 6.873 247 2HB SER 39 1HB SER 39 50.389 -1.141 6.297 248 HG SER 39 HG SER 39 48.611 0.623 5.818 249 H CYS 40 H CYS 40 50.744 0.796 9.969 250 HA CYS 40 HA CYS 40 53.478 0.407 9.703 251 1HB CYS 40 2HB CYS 40 51.852 1.597 11.939 252 2HB CYS 40 1HB CYS 40 53.610 1.614 11.928 253 H ALA 41 H ALA 41 54.097 -1.670 9.821 254 HA ALA 41 HA ALA 41 54.555 -2.655 12.523 255 1HB ALA 41 1HB ALA 41 53.422 -4.397 10.329 256 2HB ALA 41 2HB ALA 41 52.532 -3.824 11.739 257 3HB ALA 41 3HB ALA 41 53.889 -4.926 11.945 258 H TYR 42 H TYR 42 56.296 -1.313 10.873 259 HA TYR 42 HA TYR 42 57.946 -3.402 9.638 260 1HB TYR 42 2HB TYR 42 58.920 -1.524 8.250 261 2HB TYR 42 1HB TYR 42 57.235 -1.901 7.925 262 HD1 TYR 42 HD1 TYR 42 59.517 0.680 8.354 263 HD2 TYR 42 HD2 TYR 42 55.526 -0.395 9.372 264 HE1 TYR 42 HE1 TYR 42 58.952 3.055 8.634 265 HE2 TYR 42 HE2 TYR 42 54.953 1.977 9.649 266 HH TYR 42 HH TYR 42 56.848 4.476 8.549 267 HA PRO 43 HA PRO 43 60.826 -1.964 12.883 268 1HB PRO 43 2HB PRO 43 61.504 -4.728 13.299 269 2HB PRO 43 1HB PRO 43 60.676 -3.636 14.410 270 1HG PRO 43 2HG PRO 43 59.498 -5.818 13.219 271 2HG PRO 43 1HG PRO 43 58.612 -4.407 13.823 272 1HD PRO 43 2HD PRO 43 59.429 -5.081 11.021 273 2HD PRO 43 1HD PRO 43 57.914 -4.364 11.615 274 H THR 44 H THR 44 60.895 -3.972 10.117 275 HA THR 44 HA THR 44 63.738 -3.359 9.695 276 HB THR 44 HB THR 44 63.520 -5.739 10.290 277 HG1 THR 44 HG1 THR 44 64.188 -5.080 7.616 278 1HG2 THR 44 1HG2 THR 44 62.303 -7.284 8.807 279 2HG2 THR 44 2HG2 THR 44 61.687 -5.904 7.899 280 3HG2 THR 44 3HG2 THR 44 61.221 -6.124 9.585 281 H CYS 45 H CYS 45 61.138 -2.162 8.882 282 HA CYS 45 HA CYS 45 60.046 -1.304 7.102 283 1HB CYS 45 2HB CYS 45 62.597 -1.877 5.592 284 2HB CYS 45 1HB CYS 45 61.339 -0.732 5.133 285 H PHE 46 H PHE 46 58.968 -3.530 7.458 286 HA PHE 46 HA PHE 46 58.176 -4.466 4.920 287 1HB PHE 46 2HB PHE 46 60.324 -5.714 5.128 288 2HB PHE 46 1HB PHE 46 59.724 -6.456 6.600 289 HD1 PHE 46 HD1 PHE 46 56.906 -7.090 5.731 290 HD2 PHE 46 HD2 PHE 46 60.638 -7.526 3.719 291 HE1 PHE 46 HE1 PHE 46 55.970 -8.928 4.418 292 HE2 PHE 46 HE2 PHE 46 59.703 -9.375 2.395 293 HZ PHE 46 HZ PHE 46 57.371 -10.087 2.746 294 HA PRO 47 HA PRO 47 55.008 -5.709 7.847 295 1HB PRO 47 2HB PRO 47 53.048 -4.081 6.995 296 2HB PRO 47 1HB PRO 47 54.278 -3.539 8.139 297 1HG PRO 47 2HG PRO 47 53.915 -2.836 5.308 298 2HG PRO 47 1HG PRO 47 54.789 -1.972 6.580 299 1HD PRO 47 2HD PRO 47 55.848 -3.728 4.546 300 2HD PRO 47 1HD PRO 47 56.735 -2.776 5.753 301 H LEU 48 H LEU 48 55.449 -5.577 4.478 302 HA LEU 48 HA LEU 48 53.456 -7.618 3.961 303 1HB LEU 48 2HB LEU 48 53.298 -4.872 2.727 304 2HB LEU 48 1HB LEU 48 52.443 -6.276 2.105 305 HG LEU 48 HG LEU 48 52.114 -5.447 4.958 306 1HD1 LEU 48 1HD1 LEU 48 50.564 -4.375 2.591 307 2HD1 LEU 48 2HD1 LEU 48 51.635 -3.445 3.638 308 3HD1 LEU 48 3HD1 LEU 48 50.145 -4.128 4.284 309 1HD2 LEU 48 1HD2 LEU 48 49.918 -6.531 4.645 310 2HD2 LEU 48 2HD2 LEU 48 51.268 -7.620 4.322 311 3HD2 LEU 48 3HD2 LEU 48 50.367 -6.912 2.982 312 H THR 49 H THR 49 55.604 -5.290 2.316 313 HA THR 49 HA THR 49 57.210 -7.311 1.136 314 HB THR 49 HB THR 49 56.526 -6.307 -1.270 315 HG1 THR 49 HG1 THR 49 53.945 -6.783 -0.385 316 1HG2 THR 49 1HG2 THR 49 55.327 -8.393 -1.709 317 2HG2 THR 49 2HG2 THR 49 55.192 -8.685 0.026 318 3HG2 THR 49 3HG2 THR 49 56.778 -8.683 -0.746 319 H GLN 50 H GLN 50 58.704 -5.811 2.195 320 HA GLN 50 HA GLN 50 59.413 -3.631 0.403 321 1HB GLN 50 2HB GLN 50 59.209 -3.160 3.377 322 2HB GLN 50 1HB GLN 50 59.622 -1.984 2.140 323 1HG GLN 50 2HG GLN 50 57.304 -2.358 1.203 324 2HG GLN 50 1HG GLN 50 56.954 -3.236 2.692 325 1HE2 GLN 50 1HE2 GLN 50 57.462 -0.161 1.248 326 2HE2 GLN 50 2HE2 GLN 50 57.063 0.805 2.624 327 H PHE 51 H PHE 51 61.509 -2.591 1.296 328 HA PHE 51 HA PHE 51 63.251 -4.617 2.520 329 1HB PHE 51 2HB PHE 51 63.522 -4.595 0.022 330 2HB PHE 51 1HB PHE 51 63.971 -2.901 0.124 331 HD1 PHE 51 HD1 PHE 51 66.183 -2.268 0.581 332 HD2 PHE 51 HD2 PHE 51 64.984 -6.310 1.122 333 HE1 PHE 51 HE1 PHE 51 68.534 -2.921 0.852 334 HE2 PHE 51 HE2 PHE 51 67.338 -6.977 1.398 335 HZ PHE 51 HZ PHE 51 69.120 -5.276 1.259 336 H THR 52 H THR 52 65.084 -3.633 3.651 337 HA THR 52 HA THR 52 64.539 -0.816 4.247 338 HB THR 52 HB THR 52 64.398 -2.331 6.211 339 HG1 THR 52 HG1 THR 52 64.942 -0.236 6.694 340 1HG2 THR 52 1HG2 THR 52 67.365 -2.705 5.803 341 2HG2 THR 52 2HG2 THR 52 66.135 -3.949 5.569 342 3HG2 THR 52 3HG2 THR 52 66.420 -3.284 7.177 343 H CYS 53 H CYS 53 65.757 0.491 3.131 344 HA CYS 53 HA CYS 53 68.262 -0.068 2.013 345 1HB CYS 53 2HB CYS 53 66.648 1.920 1.624 346 2HB CYS 53 1HB CYS 53 67.460 2.658 3.003 347 H ASN 54 H ASN 54 70.249 -0.301 2.948 348 HA ASN 54 HA ASN 54 70.435 -0.559 5.720 349 1HB ASN 54 2HB ASN 54 72.650 -1.191 5.447 350 2HB ASN 54 1HB ASN 54 71.940 -1.580 3.889 351 1HD2 ASN 54 1HD2 ASN 54 71.928 1.046 2.779 352 2HD2 ASN 54 2HD2 ASN 54 73.573 1.513 2.521 353 H ASN 55 H ASN 55 70.644 2.299 3.881 354 HA ASN 55 HA ASN 55 72.182 3.701 5.861 355 1HB ASN 55 2HB ASN 55 72.331 4.126 3.358 356 2HB ASN 55 1HB ASN 55 70.774 4.932 3.500 357 1HD2 ASN 55 1HD2 ASN 55 71.946 6.785 2.682 358 2HD2 ASN 55 2HD2 ASN 55 72.833 7.771 3.791 359 H GLY 56 H GLY 56 69.262 2.546 6.084 360 1HA GLY 56 2HA GLY 56 68.151 3.056 8.158 361 2HA GLY 56 1HA GLY 56 68.513 4.751 7.888 362 H ARG 57 H ARG 57 67.479 3.449 5.003 363 HA ARG 57 HA ARG 57 64.902 4.781 5.404 364 1HB ARG 57 2HB ARG 57 66.214 3.979 2.805 365 2HB ARG 57 1HB ARG 57 64.710 4.867 2.963 366 1HG ARG 57 2HG ARG 57 66.210 6.540 2.498 367 2HG ARG 57 1HG ARG 57 66.163 6.581 4.262 368 1HD ARG 57 2HD ARG 57 68.237 5.582 4.470 369 2HD ARG 57 1HD ARG 57 68.179 4.888 2.851 370 HE ARG 57 HE ARG 57 68.655 7.749 3.435 371 1HH1 ARG 57 1HH1 ARG 57 68.941 4.945 1.376 372 2HH1 ARG 57 2HH1 ARG 57 70.133 5.656 0.326 373 1HH2 ARG 57 1HH2 ARG 57 70.167 8.730 2.025 374 2HH2 ARG 57 2HH2 ARG 57 70.814 7.816 0.689 375 H CYS 58 H CYS 58 62.986 3.863 4.436 376 HA CYS 58 HA CYS 58 63.083 0.938 4.150 377 1HB CYS 58 2HB CYS 58 60.680 2.716 4.637 378 2HB CYS 58 1HB CYS 58 60.673 0.957 4.567 379 H ILE 59 H ILE 59 62.981 0.229 2.094 380 HA ILE 59 HA ILE 59 61.783 2.043 0.129 381 HB ILE 59 HB ILE 59 63.198 1.126 -1.606 382 1HG1 ILE 59 2HG1 ILE 59 64.605 -0.450 0.562 383 2HG1 ILE 59 1HG1 ILE 59 63.458 -1.144 -0.581 384 1HG2 ILE 59 1HG2 ILE 59 65.348 2.040 -0.889 385 2HG2 ILE 59 2HG2 ILE 59 64.792 2.032 0.784 386 3HG2 ILE 59 3HG2 ILE 59 64.002 3.073 -0.401 387 1HD1 ILE 59 1HD1 ILE 59 66.071 0.172 -1.285 388 2HD1 ILE 59 2HD1 ILE 59 64.922 -0.515 -2.434 389 3HD1 ILE 59 3HD1 ILE 59 65.742 -1.560 -1.273 390 H ASN 60 H ASN 60 61.023 0.760 -1.900 391 HA ASN 60 HA ASN 60 59.132 -1.199 -0.977 392 1HB ASN 60 2HB ASN 60 59.768 -0.427 -3.836 393 2HB ASN 60 1HB ASN 60 58.322 -1.249 -3.266 394 1HD2 ASN 60 1HD2 ASN 60 57.906 0.422 -0.953 395 2HD2 ASN 60 2HD2 ASN 60 57.407 1.969 -1.536 396 H ILE 61 H ILE 61 58.968 -3.376 -1.894 397 HA ILE 61 HA ILE 61 61.518 -4.685 -1.837 398 HB ILE 61 HB ILE 61 59.088 -5.450 -1.025 399 1HG1 ILE 61 2HG1 ILE 61 61.244 -6.573 -0.517 400 2HG1 ILE 61 1HG1 ILE 61 59.915 -7.693 -0.753 401 1HG2 ILE 61 1HG2 ILE 61 58.140 -7.149 -2.488 402 2HG2 ILE 61 2HG2 ILE 61 59.344 -6.764 -3.719 403 3HG2 ILE 61 3HG2 ILE 61 58.141 -5.559 -3.255 404 1HD1 ILE 61 1HD1 ILE 61 61.944 -8.521 -1.745 405 2HD1 ILE 61 2HD1 ILE 61 62.077 -7.068 -2.737 406 3HD1 ILE 61 3HD1 ILE 61 60.740 -8.192 -2.991 407 H ASN 62 H ASN 62 59.558 -3.351 -4.232 408 HA ASN 62 HA ASN 62 60.438 -5.153 -6.348 409 1HB ASN 62 2HB ASN 62 58.816 -3.865 -7.748 410 2HB ASN 62 1HB ASN 62 58.087 -4.625 -6.336 411 1HD2 ASN 62 1HD2 ASN 62 59.028 -1.617 -7.805 412 2HD2 ASN 62 2HD2 ASN 62 58.152 -0.592 -6.721 413 H TRP 63 H TRP 63 62.447 -3.462 -5.190 414 HA TRP 63 HA TRP 63 62.955 -1.572 -7.391 415 1HB TRP 63 2HB TRP 63 63.963 -1.680 -4.552 416 2HB TRP 63 1HB TRP 63 64.753 -0.696 -5.777 417 HD1 TRP 63 HD1 TRP 63 60.931 -0.923 -5.729 418 HE1 TRP 63 HE1 TRP 63 59.979 1.375 -5.051 419 HE3 TRP 63 HE3 TRP 63 65.293 1.426 -4.441 420 HZ2 TRP 63 HZ2 TRP 63 60.947 3.838 -4.112 421 HZ3 TRP 63 HZ3 TRP 63 65.187 3.760 -3.669 422 HH2 TRP 63 HH2 TRP 63 63.059 4.941 -3.508 423 H ARG 64 H ARG 64 63.546 -4.635 -6.619 424 HA ARG 64 HA ARG 64 66.314 -4.967 -7.168 425 1HB ARG 64 2HB ARG 64 64.263 -7.018 -7.965 426 2HB ARG 64 1HB ARG 64 65.883 -7.264 -7.344 427 1HG ARG 64 2HG ARG 64 63.723 -6.119 -5.621 428 2HG ARG 64 1HG ARG 64 63.891 -7.858 -5.857 429 1HD ARG 64 2HD ARG 64 66.001 -5.999 -4.770 430 2HD ARG 64 1HD ARG 64 65.014 -7.112 -3.824 431 HE ARG 64 HE ARG 64 66.659 -8.265 -5.937 432 1HH1 ARG 64 1HH1 ARG 64 66.161 -7.632 -2.548 433 2HH1 ARG 64 2HH1 ARG 64 67.453 -8.657 -2.019 434 1HH2 ARG 64 1HH2 ARG 64 68.341 -9.679 -5.258 435 2HH2 ARG 64 2HH2 ARG 64 68.676 -9.852 -3.563 436 H CYS 65 H CYS 65 66.911 -3.794 -9.034 437 HA CYS 65 HA CYS 65 65.415 -4.312 -11.480 438 1HB CYS 65 2HB CYS 65 67.749 -2.478 -10.927 439 2HB CYS 65 1HB CYS 65 66.973 -2.647 -12.499 440 H ASP 66 H ASP 66 68.065 -5.548 -9.848 441 HA ASP 66 HA ASP 66 68.699 -7.366 -11.939 442 1HB ASP 66 2HB ASP 66 71.144 -6.668 -12.065 443 2HB ASP 66 1HB ASP 66 69.995 -5.624 -12.892 444 H ASN 67 H ASN 67 70.746 -6.021 -9.324 445 HA ASN 67 HA ASN 67 71.099 -8.695 -8.333 446 1HB ASN 67 2HB ASN 67 73.088 -7.373 -8.523 447 2HB ASN 67 1HB ASN 67 72.379 -6.073 -7.576 448 1HD2 ASN 67 1HD2 ASN 67 72.555 -6.097 -5.424 449 2HD2 ASN 67 2HD2 ASN 67 73.335 -7.355 -4.521 450 H ASP 68 H ASP 68 70.683 -5.712 -6.385 451 HA ASP 68 HA ASP 68 68.663 -7.207 -4.827 452 1HB ASP 68 2HB ASP 68 71.049 -6.807 -3.788 453 2HB ASP 68 1HB ASP 68 70.443 -5.176 -3.514 454 H ASN 69 H ASN 69 68.448 -4.723 -3.075 455 HA ASN 69 HA ASN 69 66.362 -3.576 -4.808 456 1HB ASN 69 2HB ASN 69 66.531 -4.303 -1.972 457 2HB ASN 69 1HB ASN 69 65.811 -2.722 -2.252 458 1HD2 ASN 69 1HD2 ASN 69 64.712 -5.332 -1.339 459 2HD2 ASN 69 2HD2 ASN 69 63.364 -5.628 -2.383 460 H ASP 70 H ASP 70 66.636 -1.668 -5.566 461 HA ASP 70 HA ASP 70 69.047 -0.405 -5.489 462 1HB ASP 70 2HB ASP 70 67.191 -0.244 -7.206 463 2HB ASP 70 1HB ASP 70 66.507 1.028 -6.191 464 H CYS 71 H CYS 71 69.998 1.141 -4.503 465 HA CYS 71 HA CYS 71 68.585 3.070 -2.844 466 1HB CYS 71 2HB CYS 71 70.596 1.101 -1.820 467 2HB CYS 71 1HB CYS 71 70.520 2.711 -1.116 468 H GLY 72 H GLY 72 71.808 1.909 -3.792 469 1HA GLY 72 2HA GLY 72 73.425 3.166 -4.975 470 2HA GLY 72 1HA GLY 72 72.537 4.633 -4.591 471 H ASP 73 H ASP 73 72.627 2.887 -1.816 472 HA ASP 73 HA ASP 73 74.903 4.466 -0.814 473 1HB ASP 73 2HB ASP 73 72.679 3.152 0.775 474 2HB ASP 73 1HB ASP 73 73.872 4.290 1.381 475 H ASN 74 H ASN 74 75.231 1.950 -2.190 476 HA ASN 74 HA ASN 74 76.450 0.034 -2.055 477 1HB ASN 74 2HB ASN 74 77.281 1.287 0.563 478 2HB ASN 74 1HB ASN 74 77.905 -0.268 0.032 479 1HD2 ASN 74 1HD2 ASN 74 77.208 2.483 -2.059 480 2HD2 ASN 74 2HD2 ASN 74 78.845 2.763 -2.528 481 H SER 75 H SER 75 73.703 0.306 -0.938 482 HA SER 75 HA SER 75 73.537 -1.658 1.164 483 1HB SER 75 2HB SER 75 72.020 0.388 0.875 484 2HB SER 75 1HB SER 75 71.268 -0.505 -0.447 485 HG SER 75 HG SER 75 70.888 -2.203 1.166 486 H ASP 76 H ASP 76 71.899 -1.307 -1.830 487 HA ASP 76 HA ASP 76 71.505 -4.070 -2.362 488 1HB ASP 76 2HB ASP 76 70.747 -3.072 -4.601 489 2HB ASP 76 1HB ASP 76 69.877 -2.537 -3.167 490 H GLU 77 H GLU 77 73.268 -1.521 -4.015 491 HA GLU 77 HA GLU 77 75.685 -2.469 -4.559 492 1HB GLU 77 2HB GLU 77 75.741 -3.861 -6.457 493 2HB GLU 77 1HB GLU 77 74.484 -4.558 -5.452 494 1HG GLU 77 2HG GLU 77 73.989 -2.740 -7.804 495 2HG GLU 77 1HG GLU 77 73.943 -4.499 -7.867 496 H ALA 78 H ALA 78 72.854 -0.897 -5.589 497 HA ALA 78 HA ALA 78 72.452 1.046 -6.697 498 1HB ALA 78 1HB ALA 78 75.448 1.374 -6.792 499 2HB ALA 78 2HB ALA 78 74.395 1.948 -5.499 500 3HB ALA 78 3HB ALA 78 74.248 2.623 -7.121 501 H GLY 79 H GLY 79 72.322 -1.269 -8.108 502 1HA GLY 79 2HA GLY 79 73.814 -0.896 -10.599 503 2HA GLY 79 1HA GLY 79 72.828 -2.285 -10.174 504 H CYS 80 H CYS 80 70.650 -0.284 -9.343 505 HA CYS 80 HA CYS 80 69.435 -0.284 -11.980 506 1HB CYS 80 2HB CYS 80 68.204 -1.132 -9.992 507 2HB CYS 80 1HB CYS 80 68.215 0.496 -9.325 508 H SER 81 H SER 81 69.890 2.118 -9.359 509 HA SER 81 HA SER 81 69.210 4.279 -11.123 510 1HB SER 81 2HB SER 81 70.356 4.221 -8.328 511 2HB SER 81 1HB SER 81 69.995 5.714 -9.194 512 HG SER 81 HG SER 81 68.290 3.882 -8.004 513 H HIS 82 HN HIS 82 70.511 4.760 -12.748 514 HA HIS 82 HA HIS 82 73.279 5.470 -12.131 515 1HB HIS 82 2HB HIS 82 73.399 3.240 -13.139 516 2HB HIS 82 1HB HIS 82 72.415 3.778 -14.494 517 HD1 HIS 82 HD1 HIS 82 73.621 5.824 -15.931 518 HD2 HIS 82 HD2 HIS 82 76.052 3.408 -13.582 519 HE1 HIS 82 HE1 HIS 82 75.974 6.096 -16.828 Start of MODEL 3 1 1H SER 1 1HT SER 1 39.336 -9.083 3.480 2 2H SER 1 2HT SER 1 38.741 -9.801 2.068 3 3H SER 1 3HT SER 1 37.824 -8.626 2.871 4 HA SER 1 HA SER 1 40.437 -8.187 1.560 5 1HB SER 1 2HB SER 1 37.685 -7.218 0.741 6 2HB SER 1 1HB SER 1 39.196 -7.002 -0.146 7 HG SER 1 HG SER 1 38.141 -8.735 -1.052 8 H ALA 2 H ALA 2 40.625 -5.700 1.180 9 HA ALA 2 HA ALA 2 40.374 -4.429 3.756 10 1HB ALA 2 1HB ALA 2 42.411 -4.136 2.435 11 2HB ALA 2 2HB ALA 2 41.626 -2.592 2.756 12 3HB ALA 2 3HB ALA 2 41.472 -3.343 1.169 13 H ARG 3 H ARG 3 39.863 -2.728 0.779 14 HA ARG 3 HA ARG 3 37.026 -2.586 1.020 15 1HB ARG 3 2HB ARG 3 36.750 -0.221 1.410 16 2HB ARG 3 1HB ARG 3 37.640 -0.927 2.745 17 1HG ARG 3 2HG ARG 3 39.051 0.464 0.491 18 2HG ARG 3 1HG ARG 3 38.370 1.360 1.849 19 1HD ARG 3 2HD ARG 3 39.728 -0.427 3.251 20 2HD ARG 3 1HD ARG 3 40.680 -0.524 1.769 21 HE ARG 3 HE ARG 3 40.214 2.151 2.814 22 1HH1 ARG 3 1HH1 ARG 3 42.410 -0.556 2.559 23 2HH1 ARG 3 2HH1 ARG 3 43.785 0.346 3.097 24 1HH2 ARG 3 1HH2 ARG 3 42.027 3.343 3.559 25 2HH2 ARG 3 2HH2 ARG 3 43.567 2.557 3.678 26 H THR 4 H THR 4 39.999 -1.780 -0.514 27 HA THR 4 HA THR 4 38.687 -1.823 -3.093 28 HB THR 4 HB THR 4 40.551 0.484 -2.474 29 HG1 THR 4 HG1 THR 4 37.803 0.227 -1.981 30 1HG2 THR 4 1HG2 THR 4 39.540 1.468 -4.479 31 2HG2 THR 4 2HG2 THR 4 38.509 0.048 -4.659 32 3HG2 THR 4 3HG2 THR 4 40.258 -0.103 -4.833 33 H CYS 5 H CYS 5 40.386 -1.958 -4.837 34 HA CYS 5 HA CYS 5 42.361 -2.566 -5.752 35 1HB CYS 5 2HB CYS 5 43.406 -2.111 -2.962 36 2HB CYS 5 1HB CYS 5 44.434 -2.624 -4.298 37 HA PRO 6 HA PRO 6 42.327 -6.936 -5.253 38 1HB PRO 6 2HB PRO 6 44.267 -7.583 -6.995 39 2HB PRO 6 1HB PRO 6 42.736 -6.881 -7.535 40 1HG PRO 6 2HG PRO 6 45.395 -5.566 -7.143 41 2HG PRO 6 1HG PRO 6 44.234 -5.369 -8.468 42 1HD PRO 6 2HD PRO 6 44.464 -3.626 -6.370 43 2HD PRO 6 1HD PRO 6 42.973 -3.863 -7.300 44 HA PRO 7 HA PRO 7 45.598 -8.528 -2.608 45 1HB PRO 7 2HB PRO 7 46.614 -10.662 -4.063 46 2HB PRO 7 1HB PRO 7 45.205 -10.729 -2.998 47 1HG PRO 7 2HG PRO 7 45.319 -10.435 -5.973 48 2HG PRO 7 1HG PRO 7 44.190 -11.370 -4.975 49 1HD PRO 7 2HD PRO 7 43.475 -9.017 -6.041 50 2HD PRO 7 1HD PRO 7 42.930 -9.504 -4.422 51 H ASN 8 H ASN 8 47.832 -8.495 -2.317 52 HA ASN 8 HA ASN 8 49.966 -7.791 -2.612 53 1HB ASN 8 2HB ASN 8 49.699 -9.376 -4.694 54 2HB ASN 8 1HB ASN 8 49.706 -7.865 -5.594 55 1HD2 ASN 8 1HD2 ASN 8 51.602 -6.627 -5.660 56 2HD2 ASN 8 2HD2 ASN 8 53.133 -7.273 -5.187 57 H GLN 9 H GLN 9 47.476 -6.060 -2.934 58 HA GLN 9 HA GLN 9 48.868 -3.653 -3.840 59 1HB GLN 9 2HB GLN 9 46.591 -4.854 -5.108 60 2HB GLN 9 1HB GLN 9 46.091 -3.342 -4.375 61 1HG GLN 9 2HG GLN 9 46.696 -2.898 -6.624 62 2HG GLN 9 1HG GLN 9 47.936 -2.204 -5.582 63 1HE2 GLN 9 1HE2 GLN 9 47.762 -5.628 -6.177 64 2HE2 GLN 9 2HE2 GLN 9 49.165 -5.737 -7.166 65 H PHE 10 H PHE 10 47.830 -1.705 -3.010 66 HA PHE 10 HA PHE 10 46.226 -2.138 -0.600 67 1HB PHE 10 2HB PHE 10 48.474 -1.800 0.215 68 2HB PHE 10 1HB PHE 10 48.703 -0.415 -0.844 69 HD1 PHE 10 HD1 PHE 10 48.712 1.618 0.217 70 HD2 PHE 10 HD2 PHE 10 46.226 -1.487 1.738 71 HE1 PHE 10 HE1 PHE 10 47.904 3.126 1.980 72 HE2 PHE 10 HE2 PHE 10 45.423 0.018 3.507 73 HZ PHE 10 HZ PHE 10 46.259 2.335 3.623 74 H SER 11 H SER 11 44.829 -0.436 -0.139 75 HA SER 11 HA SER 11 44.205 1.186 -2.445 76 1HB SER 11 2HB SER 11 41.911 1.190 -1.023 77 2HB SER 11 1HB SER 11 42.297 -0.021 -2.247 78 HG SER 11 HG SER 11 42.609 -1.480 -0.740 79 H CYS 12 H CYS 12 45.037 3.107 -2.140 80 HA CYS 12 HA CYS 12 45.237 4.418 0.344 81 1HB CYS 12 2HB CYS 12 46.655 5.010 -1.583 82 2HB CYS 12 1HB CYS 12 45.235 5.603 -2.438 83 H ALA 13 H ALA 13 44.025 6.134 1.145 84 HA ALA 13 HA ALA 13 41.542 5.753 1.779 85 1HB ALA 13 1HB ALA 13 42.459 8.518 1.048 86 2HB ALA 13 2HB ALA 13 42.889 7.663 2.532 87 3HB ALA 13 3HB ALA 13 41.207 8.087 2.215 88 H SER 14 H SER 14 40.191 4.813 0.411 89 HA SER 14 HA SER 14 38.561 4.556 -1.142 90 1HB SER 14 2HB SER 14 37.977 7.378 -0.237 91 2HB SER 14 1HB SER 14 36.825 6.255 -0.964 92 HG SER 14 HG SER 14 37.060 6.473 1.497 93 H GLY 15 H GLY 15 40.189 4.544 -2.932 94 1HA GLY 15 2HA GLY 15 39.116 5.355 -5.197 95 2HA GLY 15 1HA GLY 15 39.857 6.860 -4.685 96 H ARG 16 H ARG 16 42.248 5.692 -3.567 97 HA ARG 16 HA ARG 16 43.562 5.456 -6.160 98 1HB ARG 16 2HB ARG 16 44.701 6.099 -3.436 99 2HB ARG 16 1HB ARG 16 45.656 5.969 -4.906 100 1HG ARG 16 2HG ARG 16 45.307 8.264 -4.615 101 2HG ARG 16 1HG ARG 16 44.148 7.790 -5.857 102 1HD ARG 16 2HD ARG 16 42.548 7.462 -3.810 103 2HD ARG 16 1HD ARG 16 43.675 8.559 -3.015 104 HE ARG 16 HE ARG 16 43.070 9.806 -5.365 105 1HH1 ARG 16 1HH1 ARG 16 41.210 8.580 -2.661 106 2HH1 ARG 16 2HH1 ARG 16 39.881 9.659 -2.920 107 1HH2 ARG 16 1HH2 ARG 16 41.328 11.242 -5.719 108 2HH2 ARG 16 2HH2 ARG 16 39.959 11.201 -4.646 109 H CYS 17 H CYS 17 45.464 3.998 -6.321 110 HA CYS 17 HA CYS 17 45.125 1.532 -4.803 111 1HB CYS 17 2HB CYS 17 43.769 1.729 -7.122 112 2HB CYS 17 1HB CYS 17 45.333 1.228 -7.759 113 H ILE 18 H ILE 18 47.070 1.019 -4.146 114 HA ILE 18 HA ILE 18 49.377 1.654 -5.861 115 HB ILE 18 HB ILE 18 50.635 2.336 -3.915 116 1HG1 ILE 18 2HG1 ILE 18 48.873 2.537 -1.805 117 2HG1 ILE 18 1HG1 ILE 18 48.475 0.971 -2.499 118 1HG2 ILE 18 1HG2 ILE 18 47.889 3.576 -3.765 119 2HG2 ILE 18 2HG2 ILE 18 49.164 4.055 -4.893 120 3HG2 ILE 18 3HG2 ILE 18 49.386 4.285 -3.156 121 1HD1 ILE 18 1HD1 ILE 18 50.819 0.297 -2.283 122 2HD1 ILE 18 2HD1 ILE 18 50.105 0.739 -0.732 123 3HD1 ILE 18 3HD1 ILE 18 51.188 1.860 -1.555 124 HA PRO 19 HA PRO 19 50.438 -2.619 -5.000 125 1HB PRO 19 2HB PRO 19 53.283 -1.976 -5.042 126 2HB PRO 19 1HB PRO 19 52.339 -2.955 -6.172 127 1HG PRO 19 2HG PRO 19 53.368 -0.518 -6.806 128 2HG PRO 19 1HG PRO 19 51.899 -1.178 -7.543 129 1HD PRO 19 2HD PRO 19 52.184 0.878 -5.389 130 2HD PRO 19 1HD PRO 19 51.004 0.789 -6.714 131 H ILE 20 H ILE 20 50.481 -3.598 -3.054 132 HA ILE 20 HA ILE 20 50.656 -2.023 -0.733 133 HB ILE 20 HB ILE 20 49.334 -4.130 -1.061 134 1HG1 ILE 20 2HG1 ILE 20 50.979 -3.975 1.461 135 2HG1 ILE 20 1HG1 ILE 20 49.561 -2.992 1.114 136 1HG2 ILE 20 1HG2 ILE 20 50.405 -6.254 -0.424 137 2HG2 ILE 20 2HG2 ILE 20 51.963 -5.432 -0.389 138 3HG2 ILE 20 3HG2 ILE 20 51.078 -5.578 -1.907 139 1HD1 ILE 20 1HD1 ILE 20 49.604 -5.984 1.391 140 2HD1 ILE 20 2HD1 ILE 20 48.183 -4.999 1.056 141 3HD1 ILE 20 3HD1 ILE 20 49.022 -4.835 2.596 142 H SER 21 H SER 21 52.058 -2.273 1.094 143 HA SER 21 HA SER 21 54.062 -2.444 2.170 144 1HB SER 21 2HB SER 21 54.329 -4.589 0.664 145 2HB SER 21 1HB SER 21 55.463 -3.573 -0.221 146 HG SER 21 HG SER 21 56.087 -3.226 2.280 147 H TRP 22 H TRP 22 53.175 -0.645 -0.295 148 HA TRP 22 HA TRP 22 55.590 1.027 -0.249 149 1HB TRP 22 2HB TRP 22 52.934 1.303 -1.653 150 2HB TRP 22 1HB TRP 22 54.142 2.581 -1.654 151 HD1 TRP 22 HD1 TRP 22 55.361 -0.990 -1.968 152 HE1 TRP 22 HE1 TRP 22 56.229 -1.371 -4.352 153 HE3 TRP 22 HE3 TRP 22 53.749 3.355 -4.110 154 HZ2 TRP 22 HZ2 TRP 22 56.247 -0.002 -6.831 155 HZ3 TRP 22 HZ3 TRP 22 54.239 3.748 -6.498 156 HH2 TRP 22 HH2 TRP 22 55.457 2.103 -7.824 157 H THR 23 H THR 23 53.428 0.444 2.010 158 HA THR 23 HA THR 23 52.529 3.203 2.376 159 HB THR 23 HB THR 23 50.607 2.022 1.885 160 HG1 THR 23 HG1 THR 23 50.761 3.013 4.199 161 1HG2 THR 23 1HG2 THR 23 51.425 -0.220 1.839 162 2HG2 THR 23 2HG2 THR 23 50.013 -0.185 2.895 163 3HG2 THR 23 3HG2 THR 23 51.632 -0.248 3.587 164 H CYS 24 H CYS 24 51.860 0.961 4.849 165 HA CYS 24 HA CYS 24 53.079 2.594 6.805 166 1HB CYS 24 2HB CYS 24 51.805 -0.120 7.073 167 2HB CYS 24 1HB CYS 24 52.060 1.046 8.369 168 H ASP 25 H ASP 25 55.235 1.855 5.372 169 HA ASP 25 HA ASP 25 56.729 0.213 7.189 170 1HB ASP 25 2HB ASP 25 57.446 -1.395 5.339 171 2HB ASP 25 1HB ASP 25 55.880 -1.647 6.088 172 H LEU 26 H LEU 26 56.942 2.880 6.285 173 HA LEU 26 HA LEU 26 58.680 4.314 6.071 174 1HB LEU 26 2HB LEU 26 60.404 1.855 5.708 175 2HB LEU 26 1HB LEU 26 60.998 3.482 5.974 176 HG LEU 26 HG LEU 26 59.378 1.855 7.947 177 1HD1 LEU 26 1HD1 LEU 26 61.462 1.841 9.248 178 2HD1 LEU 26 2HD1 LEU 26 62.290 2.632 7.908 179 3HD1 LEU 26 3HD1 LEU 26 61.635 1.010 7.703 180 1HD2 LEU 26 1HD2 LEU 26 60.671 4.564 8.257 181 2HD2 LEU 26 2HD2 LEU 26 59.807 3.663 9.505 182 3HD2 LEU 26 3HD2 LEU 26 58.940 4.270 8.095 183 H ASP 27 H ASP 27 57.157 3.077 3.781 184 HA ASP 27 HA ASP 27 58.921 4.029 1.617 185 1HB ASP 27 2HB ASP 27 57.798 1.640 1.617 186 2HB ASP 27 1HB ASP 27 56.363 2.534 1.125 187 H ASP 28 H ASP 28 56.770 4.689 -0.231 188 HA ASP 28 HA ASP 28 55.123 6.523 1.315 189 1HB ASP 28 2HB ASP 28 55.786 8.543 0.238 190 2HB ASP 28 1HB ASP 28 57.241 7.770 0.844 191 H ASP 29 H ASP 29 53.148 6.314 0.660 192 HA ASP 29 HA ASP 29 52.643 6.763 -2.164 193 1HB ASP 29 2HB ASP 29 50.815 5.172 -2.299 194 2HB ASP 29 1HB ASP 29 52.297 4.345 -1.859 195 H CYS 30 H CYS 30 50.251 6.165 0.324 196 HA CYS 30 HA CYS 30 50.047 8.796 1.261 197 1HB CYS 30 2HB CYS 30 47.654 9.154 0.386 198 2HB CYS 30 1HB CYS 30 48.997 9.547 -0.686 199 H GLY 31 H GLY 31 48.765 5.592 0.825 200 1HA GLY 31 2HA GLY 31 47.651 4.205 2.256 201 2HA GLY 31 1HA GLY 31 48.252 5.235 3.547 202 H ASP 32 H ASP 32 47.014 6.822 4.362 203 HA ASP 32 HA ASP 32 44.300 7.217 3.325 204 1HB ASP 32 2HB ASP 32 44.907 6.174 6.098 205 2HB ASP 32 1HB ASP 32 43.390 6.972 5.701 206 H ARG 33 H ARG 33 46.704 8.763 3.419 207 HA ARG 33 HA ARG 33 47.561 10.786 3.989 208 1HB ARG 33 2HB ARG 33 45.185 11.599 3.688 209 2HB ARG 33 1HB ARG 33 44.953 11.360 5.416 210 1HG ARG 33 2HG ARG 33 46.780 12.952 5.852 211 2HG ARG 33 1HG ARG 33 46.917 13.229 4.116 212 1HD ARG 33 2HD ARG 33 44.476 13.754 5.805 213 2HD ARG 33 1HD ARG 33 45.592 14.978 5.203 214 HE ARG 33 HE ARG 33 44.408 13.345 3.142 215 1HH1 ARG 33 1HH1 ARG 33 44.025 16.197 5.113 216 2HH1 ARG 33 2HH1 ARG 33 42.957 16.993 4.005 217 1HH2 ARG 33 1HH2 ARG 33 43.001 14.375 1.651 218 2HH2 ARG 33 2HH2 ARG 33 42.372 15.947 2.017 219 H SER 34 H SER 34 47.402 8.343 5.610 220 HA SER 34 HA SER 34 48.753 9.307 7.971 221 1HB SER 34 2HB SER 34 46.276 7.558 8.180 222 2HB SER 34 1HB SER 34 47.348 7.976 9.517 223 HG SER 34 HG SER 34 46.585 10.208 8.249 224 H ASP 35 H ASP 35 49.248 7.902 5.472 225 HA ASP 35 HA ASP 35 49.339 5.131 5.612 226 1HB ASP 35 2HB ASP 35 51.275 5.393 3.962 227 2HB ASP 35 1HB ASP 35 49.741 6.138 3.520 228 H GLU 36 H GLU 36 51.401 7.410 7.122 229 HA GLU 36 HA GLU 36 53.304 5.282 7.769 230 1HB GLU 36 2HB GLU 36 53.587 8.169 7.312 231 2HB GLU 36 1HB GLU 36 54.539 7.530 8.649 232 1HG GLU 36 2HG GLU 36 54.571 6.568 5.803 233 2HG GLU 36 1HG GLU 36 55.839 7.485 6.623 234 H SER 37 H SER 37 52.478 4.285 9.457 235 HA SER 37 HA SER 37 52.465 3.759 11.656 236 1HB SER 37 2HB SER 37 54.563 5.030 11.745 237 2HB SER 37 1HB SER 37 53.658 6.512 12.040 238 HG SER 37 HG SER 37 52.784 5.249 13.932 239 H ALA 38 H ALA 38 50.382 5.857 10.356 240 HA ALA 38 HA ALA 38 49.062 6.366 12.931 241 1HB ALA 38 1HB ALA 38 48.684 7.897 10.367 242 2HB ALA 38 2HB ALA 38 49.704 8.402 11.714 243 3HB ALA 38 3HB ALA 38 47.959 8.267 11.931 244 H SER 39 H SER 39 48.834 4.630 10.042 245 HA SER 39 HA SER 39 45.968 4.162 10.472 246 1HB SER 39 2HB SER 39 46.119 3.089 8.169 247 2HB SER 39 1HB SER 39 46.366 4.836 8.221 248 HG SER 39 HG SER 39 47.951 3.217 7.081 249 H CYS 40 H CYS 40 48.977 2.429 9.708 250 HA CYS 40 HA CYS 40 47.744 -0.069 10.545 251 1HB CYS 40 2HB CYS 40 50.526 0.310 9.450 252 2HB CYS 40 1HB CYS 40 49.581 -1.173 9.514 253 H ALA 41 H ALA 41 48.284 -1.125 12.375 254 HA ALA 41 HA ALA 41 49.955 0.089 14.334 255 1HB ALA 41 1HB ALA 41 49.590 -1.960 15.610 256 2HB ALA 41 2HB ALA 41 48.876 -2.726 14.191 257 3HB ALA 41 3HB ALA 41 48.081 -1.344 14.942 258 H TYR 42 H TYR 42 51.895 0.429 13.391 259 HA TYR 42 HA TYR 42 53.401 -0.916 11.677 260 1HB TYR 42 2HB TYR 42 53.865 1.080 13.637 261 2HB TYR 42 1HB TYR 42 55.224 -0.039 13.674 262 HD1 TYR 42 HD1 TYR 42 56.988 0.425 12.294 263 HD2 TYR 42 HD2 TYR 42 53.096 1.692 11.147 264 HE1 TYR 42 HE1 TYR 42 57.933 1.473 10.289 265 HE2 TYR 42 HE2 TYR 42 54.017 2.746 9.134 266 HH TYR 42 HH TYR 42 56.255 3.679 8.389 267 HA PRO 43 HA PRO 43 54.959 -4.582 13.767 268 1HB PRO 43 2HB PRO 43 54.959 -6.171 11.614 269 2HB PRO 43 1HB PRO 43 53.466 -5.873 12.517 270 1HG PRO 43 2HG PRO 43 54.367 -4.747 9.910 271 2HG PRO 43 1HG PRO 43 52.732 -5.155 10.450 272 1HD PRO 43 2HD PRO 43 53.885 -2.595 10.423 273 2HD PRO 43 1HD PRO 43 52.394 -3.061 11.261 274 H THR 44 H THR 44 55.770 -2.417 11.416 275 HA THR 44 HA THR 44 57.688 -1.553 10.659 276 HB THR 44 HB THR 44 59.092 -3.503 12.475 277 HG1 THR 44 HG1 THR 44 58.045 -2.175 13.834 278 1HG2 THR 44 1HG2 THR 44 61.006 -2.060 12.171 279 2HG2 THR 44 2HG2 THR 44 60.050 -0.959 11.173 280 3HG2 THR 44 3HG2 THR 44 60.414 -2.586 10.587 281 H CYS 45 H CYS 45 57.323 -2.263 8.597 282 HA CYS 45 HA CYS 45 58.303 -2.824 6.629 283 1HB CYS 45 2HB CYS 45 60.429 -4.223 8.249 284 2HB CYS 45 1HB CYS 45 60.537 -3.726 6.566 285 H PHE 46 H PHE 46 57.850 -4.327 5.203 286 HA PHE 46 HA PHE 46 57.711 -7.122 6.020 287 1HB PHE 46 2HB PHE 46 55.443 -6.797 4.405 288 2HB PHE 46 1HB PHE 46 55.481 -7.210 6.112 289 HD1 PHE 46 HD1 PHE 46 55.546 -5.196 7.775 290 HD2 PHE 46 HD2 PHE 46 54.370 -4.893 3.694 291 HE1 PHE 46 HE1 PHE 46 54.329 -3.122 8.287 292 HE2 PHE 46 HE2 PHE 46 53.159 -2.816 4.186 293 HZ PHE 46 HZ PHE 46 53.125 -1.926 6.490 294 HA PRO 47 HA PRO 47 59.510 -7.565 2.028 295 1HB PRO 47 2HB PRO 47 58.956 -10.405 2.145 296 2HB PRO 47 1HB PRO 47 60.496 -9.568 2.345 297 1HG PRO 47 2HG PRO 47 59.235 -10.856 4.384 298 2HG PRO 47 1HG PRO 47 60.285 -9.447 4.624 299 1HD PRO 47 2HD PRO 47 57.290 -9.582 4.509 300 2HD PRO 47 1HD PRO 47 58.336 -8.681 5.631 301 H LEU 48 H LEU 48 56.653 -6.891 1.989 302 HA LEU 48 HA LEU 48 55.356 -8.690 0.163 303 1HB LEU 48 2HB LEU 48 54.687 -5.780 0.662 304 2HB LEU 48 1HB LEU 48 53.646 -6.990 -0.062 305 HG LEU 48 HG LEU 48 54.575 -7.010 2.816 306 1HD1 LEU 48 1HD1 LEU 48 52.258 -6.410 3.336 307 2HD1 LEU 48 2HD1 LEU 48 51.905 -6.273 1.613 308 3HD1 LEU 48 3HD1 LEU 48 53.044 -5.159 2.374 309 1HD2 LEU 48 1HD2 LEU 48 54.143 -9.245 1.909 310 2HD2 LEU 48 2HD2 LEU 48 52.545 -8.721 1.385 311 3HD2 LEU 48 3HD2 LEU 48 52.932 -8.779 3.104 312 H THR 49 H THR 49 57.085 -5.628 -0.080 313 HA THR 49 HA THR 49 58.061 -6.302 -2.689 314 HB THR 49 HB THR 49 55.755 -5.396 -3.165 315 HG1 THR 49 HG1 THR 49 57.136 -5.217 -4.852 316 1HG2 THR 49 1HG2 THR 49 56.941 -2.795 -2.191 317 2HG2 THR 49 2HG2 THR 49 55.647 -3.701 -1.400 318 3HG2 THR 49 3HG2 THR 49 55.381 -2.983 -2.991 319 H GLN 50 H GLN 50 59.424 -5.953 -0.401 320 HA GLN 50 HA GLN 50 60.600 -3.274 -0.584 321 1HB GLN 50 2HB GLN 50 60.083 -4.864 1.938 322 2HB GLN 50 1HB GLN 50 61.021 -3.380 1.863 323 1HG GLN 50 2HG GLN 50 58.845 -2.386 0.843 324 2HG GLN 50 1HG GLN 50 58.085 -3.786 1.608 325 1HE2 GLN 50 1HE2 GLN 50 59.527 -0.717 2.083 326 2HE2 GLN 50 2HE2 GLN 50 59.279 -0.618 3.792 327 H PHE 51 H PHE 51 62.745 -3.169 0.384 328 HA PHE 51 HA PHE 51 64.204 -5.717 0.505 329 1HB PHE 51 2HB PHE 51 64.762 -4.588 -1.626 330 2HB PHE 51 1HB PHE 51 65.192 -3.129 -0.743 331 HD1 PHE 51 HD1 PHE 51 67.370 -2.805 -0.006 332 HD2 PHE 51 HD2 PHE 51 66.106 -6.709 -1.122 333 HE1 PHE 51 HE1 PHE 51 69.689 -3.608 0.200 334 HE2 PHE 51 HE2 PHE 51 68.417 -7.525 -0.915 335 HZ PHE 51 HZ PHE 51 70.209 -5.969 -0.255 336 H THR 52 H THR 52 66.151 -5.491 1.942 337 HA THR 52 HA THR 52 65.501 -3.582 4.070 338 HB THR 52 HB THR 52 67.140 -6.114 4.304 339 HG1 THR 52 HG1 THR 52 64.586 -5.942 5.413 340 1HG2 THR 52 1HG2 THR 52 67.590 -4.458 6.049 341 2HG2 THR 52 2HG2 THR 52 66.715 -5.839 6.709 342 3HG2 THR 52 3HG2 THR 52 65.862 -4.332 6.384 343 H CYS 53 H CYS 53 66.656 -1.804 3.505 344 HA CYS 53 HA CYS 53 69.287 -1.651 2.613 345 1HB CYS 53 2HB CYS 53 67.491 0.200 3.046 346 2HB CYS 53 1HB CYS 53 68.229 0.277 4.643 347 H ASN 54 H ASN 54 71.183 -2.160 3.537 348 HA ASN 54 HA ASN 54 71.214 -3.668 5.889 349 1HB ASN 54 2HB ASN 54 73.398 -4.122 5.403 350 2HB ASN 54 1HB ASN 54 72.895 -3.492 3.840 351 1HD2 ASN 54 1HD2 ASN 54 73.344 -1.239 3.407 352 2HD2 ASN 54 2HD2 ASN 54 74.738 -0.504 4.122 353 H ASN 55 H ASN 55 71.696 -0.237 5.420 354 HA ASN 55 HA ASN 55 72.807 0.159 8.017 355 1HB ASN 55 2HB ASN 55 71.964 1.991 5.809 356 2HB ASN 55 1HB ASN 55 72.302 2.644 7.411 357 1HD2 ASN 55 1HD2 ASN 55 74.090 3.782 6.611 358 2HD2 ASN 55 2HD2 ASN 55 75.571 2.985 6.225 359 H GLY 56 H GLY 56 69.921 -0.953 7.557 360 1HA GLY 56 2HA GLY 56 68.632 -1.172 9.578 361 2HA GLY 56 1HA GLY 56 68.975 0.510 9.935 362 H ARG 57 H ARG 57 68.277 0.670 6.794 363 HA ARG 57 HA ARG 57 65.529 1.464 7.371 364 1HB ARG 57 2HB ARG 57 67.070 1.733 4.792 365 2HB ARG 57 1HB ARG 57 65.564 2.532 5.206 366 1HG ARG 57 2HG ARG 57 66.574 4.059 6.554 367 2HG ARG 57 1HG ARG 57 67.938 2.990 6.927 368 1HD ARG 57 2HD ARG 57 68.581 3.207 4.491 369 2HD ARG 57 1HD ARG 57 67.401 4.516 4.392 370 HE ARG 57 HE ARG 57 68.770 5.591 6.215 371 1HH1 ARG 57 1HH1 ARG 57 70.152 3.341 3.911 372 2HH1 ARG 57 2HH1 ARG 57 71.762 3.994 4.030 373 1HH2 ARG 57 1HH2 ARG 57 70.913 6.445 6.380 374 2HH2 ARG 57 2HH2 ARG 57 72.191 5.733 5.430 375 H CYS 58 H CYS 58 63.733 0.708 6.167 376 HA CYS 58 HA CYS 58 64.223 -1.655 4.495 377 1HB CYS 58 2HB CYS 58 61.539 -0.695 5.487 378 2HB CYS 58 1HB CYS 58 61.987 -2.305 4.928 379 H ILE 59 H ILE 59 64.166 -1.295 2.342 380 HA ILE 59 HA ILE 59 62.953 1.233 1.487 381 HB ILE 59 HB ILE 59 64.447 1.235 -0.449 382 1HG1 ILE 59 2HG1 ILE 59 65.878 -1.096 0.825 383 2HG1 ILE 59 1HG1 ILE 59 64.705 -1.291 -0.476 384 1HG2 ILE 59 1HG2 ILE 59 65.125 2.416 1.564 385 2HG2 ILE 59 2HG2 ILE 59 66.532 1.735 0.741 386 3HG2 ILE 59 3HG2 ILE 59 65.884 0.950 2.182 387 1HD1 ILE 59 1HD1 ILE 59 66.996 -1.292 -1.294 388 2HD1 ILE 59 2HD1 ILE 59 67.235 0.323 -0.628 389 3HD1 ILE 59 3HD1 ILE 59 66.076 0.070 -1.936 390 H ASN 60 H ASN 60 62.413 1.124 -0.983 391 HA ASN 60 HA ASN 60 60.432 -0.922 -1.323 392 1HB ASN 60 2HB ASN 60 60.428 1.546 -2.157 393 2HB ASN 60 1HB ASN 60 61.378 0.925 -3.503 394 1HD2 ASN 60 1HD2 ASN 60 58.307 1.205 -2.070 395 2HD2 ASN 60 2HD2 ASN 60 57.405 0.373 -3.301 396 H ILE 61 H ILE 61 60.448 -2.661 -2.799 397 HA ILE 61 HA ILE 61 63.053 -3.685 -3.374 398 HB ILE 61 HB ILE 61 60.953 -5.069 -2.826 399 1HG1 ILE 61 2HG1 ILE 61 62.770 -5.844 -5.122 400 2HG1 ILE 61 1HG1 ILE 61 63.149 -6.008 -3.412 401 1HG2 ILE 61 1HG2 ILE 61 59.742 -5.894 -4.820 402 2HG2 ILE 61 2HG2 ILE 61 60.584 -4.694 -5.800 403 3HG2 ILE 61 3HG2 ILE 61 59.477 -4.176 -4.532 404 1HD1 ILE 61 1HD1 ILE 61 61.352 -7.628 -3.161 405 2HD1 ILE 61 2HD1 ILE 61 62.504 -8.134 -4.398 406 3HD1 ILE 61 3HD1 ILE 61 60.949 -7.450 -4.868 407 H ASN 62 H ASN 62 60.850 -1.711 -5.038 408 HA ASN 62 HA ASN 62 61.643 -2.532 -7.707 409 1HB ASN 62 2HB ASN 62 59.294 -1.679 -6.852 410 2HB ASN 62 1HB ASN 62 59.986 -0.095 -7.168 411 1HD2 ASN 62 1HD2 ASN 62 61.548 -0.927 -9.457 412 2HD2 ASN 62 2HD2 ASN 62 60.426 -1.226 -10.736 413 H TRP 63 H TRP 63 63.523 -1.233 -5.727 414 HA TRP 63 HA TRP 63 64.317 1.065 -7.376 415 1HB TRP 63 2HB TRP 63 65.102 0.328 -4.552 416 2HB TRP 63 1HB TRP 63 65.831 1.646 -5.457 417 HD1 TRP 63 HD1 TRP 63 62.185 1.514 -6.118 418 HE1 TRP 63 HE1 TRP 63 60.963 3.319 -4.743 419 HE3 TRP 63 HE3 TRP 63 65.977 2.804 -2.955 420 HZ2 TRP 63 HZ2 TRP 63 61.545 5.058 -2.603 421 HZ3 TRP 63 HZ3 TRP 63 65.567 4.549 -1.262 422 HH2 TRP 63 HH2 TRP 63 63.394 5.653 -1.092 423 H ARG 64 H ARG 64 64.795 -2.102 -7.351 424 HA ARG 64 HA ARG 64 67.640 -2.206 -7.866 425 1HB ARG 64 2HB ARG 64 65.622 -4.099 -9.090 426 2HB ARG 64 1HB ARG 64 67.287 -4.418 -8.651 427 1HG ARG 64 2HG ARG 64 65.118 -3.928 -6.638 428 2HG ARG 64 1HG ARG 64 65.533 -5.524 -7.249 429 1HD ARG 64 2HD ARG 64 67.428 -3.663 -5.818 430 2HD ARG 64 1HD ARG 64 66.568 -5.000 -5.067 431 HE ARG 64 HE ARG 64 69.020 -5.155 -6.372 432 1HH1 ARG 64 1HH1 ARG 64 65.967 -6.887 -6.393 433 2HH1 ARG 64 2HH1 ARG 64 66.699 -8.416 -6.740 434 1HH2 ARG 64 1HH2 ARG 64 69.993 -7.152 -6.795 435 2HH2 ARG 64 2HH2 ARG 64 68.995 -8.570 -6.971 436 H CYS 65 H CYS 65 68.333 -0.862 -9.543 437 HA CYS 65 HA CYS 65 66.483 -0.563 -11.806 438 1HB CYS 65 2HB CYS 65 68.472 1.395 -10.690 439 2HB CYS 65 1HB CYS 65 67.606 1.638 -12.200 440 H ASP 66 H ASP 66 69.873 0.278 -11.511 441 HA ASP 66 HA ASP 66 70.238 -0.452 -14.277 442 1HB ASP 66 2HB ASP 66 72.504 0.553 -13.957 443 2HB ASP 66 1HB ASP 66 71.177 1.638 -13.561 444 H ASN 67 H ASN 67 71.664 -1.441 -11.174 445 HA ASN 67 HA ASN 67 72.362 -3.959 -12.456 446 1HB ASN 67 2HB ASN 67 74.118 -2.414 -10.547 447 2HB ASN 67 1HB ASN 67 74.426 -4.070 -11.057 448 1HD2 ASN 67 1HD2 ASN 67 74.388 -0.727 -12.005 449 2HD2 ASN 67 2HD2 ASN 67 75.282 -0.933 -13.471 450 H ASP 68 H ASP 68 72.232 -2.392 -9.242 451 HA ASP 68 HA ASP 68 70.453 -4.596 -8.456 452 1HB ASP 68 2HB ASP 68 72.887 -4.713 -7.495 453 2HB ASP 68 1HB ASP 68 72.330 -3.420 -6.433 454 H ASN 69 H ASN 69 70.847 -2.840 -5.741 455 HA ASN 69 HA ASN 69 68.253 -1.563 -6.308 456 1HB ASN 69 2HB ASN 69 68.793 -3.426 -4.476 457 2HB ASN 69 1HB ASN 69 69.289 -2.029 -3.537 458 1HD2 ASN 69 1HD2 ASN 69 67.190 -0.337 -4.777 459 2HD2 ASN 69 2HD2 ASN 69 65.728 -0.829 -3.993 460 H ASP 70 H ASP 70 68.310 0.052 -3.848 461 HA ASP 70 HA ASP 70 70.380 1.997 -4.433 462 1HB ASP 70 2HB ASP 70 68.148 2.218 -5.921 463 2HB ASP 70 1HB ASP 70 67.648 3.143 -4.505 464 H CYS 71 H CYS 71 71.092 2.634 -2.551 465 HA CYS 71 HA CYS 71 69.171 3.397 -0.474 466 1HB CYS 71 2HB CYS 71 71.380 1.434 -0.237 467 2HB CYS 71 1HB CYS 71 71.186 2.565 1.096 468 H GLY 72 H GLY 72 72.683 3.402 -1.150 469 1HA GLY 72 2HA GLY 72 73.472 5.741 -1.768 470 2HA GLY 72 1HA GLY 72 72.737 6.202 -0.241 471 H ASP 73 H ASP 73 73.587 3.945 1.311 472 HA ASP 73 HA ASP 73 76.406 4.724 1.486 473 1HB ASP 73 2HB ASP 73 76.018 4.144 4.004 474 2HB ASP 73 1HB ASP 73 75.545 5.711 3.365 475 H ASN 74 H ASN 74 76.551 2.842 0.009 476 HA ASN 74 HA ASN 74 77.641 0.878 -0.338 477 1HB ASN 74 2HB ASN 74 78.957 1.965 1.646 478 2HB ASN 74 1HB ASN 74 78.231 0.678 2.599 479 1HD2 ASN 74 1HD2 ASN 74 78.320 -1.329 0.508 480 2HD2 ASN 74 2HD2 ASN 74 79.984 -1.745 0.288 481 H SER 75 H SER 75 74.849 0.751 0.198 482 HA SER 75 HA SER 75 74.488 -1.721 1.684 483 1HB SER 75 2HB SER 75 72.873 0.228 1.830 484 2HB SER 75 1HB SER 75 72.403 -0.134 0.170 485 HG SER 75 HG SER 75 71.093 -1.538 0.985 486 H ASP 76 H ASP 76 72.205 -1.844 -0.543 487 HA ASP 76 HA ASP 76 72.893 -3.981 -2.091 488 1HB ASP 76 2HB ASP 76 71.314 -2.659 -3.792 489 2HB ASP 76 1HB ASP 76 70.687 -3.321 -2.278 490 H GLU 77 H GLU 77 73.071 -0.598 -3.120 491 HA GLU 77 HA GLU 77 75.533 -0.813 -4.491 492 1HB GLU 77 2HB GLU 77 74.437 -2.137 -6.115 493 2HB GLU 77 1HB GLU 77 73.005 -1.116 -6.091 494 1HG GLU 77 2HG GLU 77 74.357 0.705 -7.088 495 2HG GLU 77 1HG GLU 77 75.710 -0.418 -7.204 496 H ALA 78 H ALA 78 72.406 0.696 -4.919 497 HA ALA 78 HA ALA 78 71.703 2.832 -5.151 498 1HB ALA 78 1HB ALA 78 72.852 4.634 -4.020 499 2HB ALA 78 2HB ALA 78 74.280 3.623 -3.807 500 3HB ALA 78 3HB ALA 78 72.775 3.214 -2.980 501 H GLY 79 H GLY 79 71.924 2.463 -7.428 502 1HA GLY 79 2HA GLY 79 73.848 4.357 -8.609 503 2HA GLY 79 1HA GLY 79 73.659 2.753 -9.309 504 H CYS 80 H CYS 80 70.775 3.811 -8.023 505 HA CYS 80 HA CYS 80 69.709 4.253 -10.710 506 1HB CYS 80 2HB CYS 80 68.701 2.524 -9.250 507 2HB CYS 80 1HB CYS 80 68.303 3.766 -8.075 508 H SER 81 H SER 81 70.445 5.901 -7.788 509 HA SER 81 HA SER 81 68.631 8.073 -8.055 510 1HB SER 81 2HB SER 81 70.892 8.919 -6.589 511 2HB SER 81 1HB SER 81 69.352 8.346 -5.953 512 HG SER 81 HG SER 81 70.158 6.317 -5.743 513 H HIS 82 HN HIS 82 68.709 9.700 -9.460 514 HA HIS 82 HA HIS 82 71.283 10.493 -10.610 515 1HB HIS 82 2HB HIS 82 70.263 8.907 -12.172 516 2HB HIS 82 1HB HIS 82 68.777 9.846 -12.187 517 HD1 HIS 82 HD1 HIS 82 69.059 12.342 -13.278 518 HD2 HIS 82 HD2 HIS 82 72.072 9.588 -14.047 519 HE1 HIS 82 HE1 HIS 82 70.302 13.197 -15.313 Start of MODEL 4 1 1H SER 1 1HT SER 1 41.137 -4.528 0.216 2 2H SER 1 2HT SER 1 41.995 -5.259 -1.042 3 3H SER 1 3HT SER 1 42.623 -5.270 0.530 4 HA SER 1 HA SER 1 41.715 -7.413 -0.070 5 1HB SER 1 2HB SER 1 39.999 -6.050 2.017 6 2HB SER 1 1HB SER 1 40.467 -7.752 1.951 7 HG SER 1 HG SER 1 42.202 -7.221 3.003 8 H ALA 2 H ALA 2 38.822 -5.507 0.729 9 HA ALA 2 HA ALA 2 37.613 -6.191 -1.844 10 1HB ALA 2 1HB ALA 2 36.904 -7.977 -0.323 11 2HB ALA 2 2HB ALA 2 35.542 -6.947 -0.770 12 3HB ALA 2 3HB ALA 2 36.299 -6.772 0.814 13 H ARG 3 H ARG 3 36.253 -4.600 -2.589 14 HA ARG 3 HA ARG 3 35.469 -2.482 -2.859 15 1HB ARG 3 2HB ARG 3 34.034 -2.762 -0.946 16 2HB ARG 3 1HB ARG 3 35.377 -2.526 0.163 17 1HG ARG 3 2HG ARG 3 35.435 -0.189 -1.240 18 2HG ARG 3 1HG ARG 3 33.708 -0.551 -1.224 19 1HD ARG 3 2HD ARG 3 33.777 -0.795 1.207 20 2HD ARG 3 1HD ARG 3 35.504 -0.438 1.193 21 HE ARG 3 HE ARG 3 33.335 1.451 0.607 22 1HH1 ARG 3 1HH1 ARG 3 36.729 0.832 1.238 23 2HH1 ARG 3 2HH1 ARG 3 37.108 2.505 1.492 24 1HH2 ARG 3 1HH2 ARG 3 33.849 3.659 0.957 25 2HH2 ARG 3 2HH2 ARG 3 35.485 4.109 1.338 26 H THR 4 H THR 4 37.524 -2.341 0.020 27 HA THR 4 HA THR 4 38.936 -0.028 -0.937 28 HB THR 4 HB THR 4 39.648 -1.791 1.416 29 HG1 THR 4 HG1 THR 4 38.129 -0.742 2.595 30 1HG2 THR 4 1HG2 THR 4 41.323 -0.109 0.825 31 2HG2 THR 4 2HG2 THR 4 40.541 0.300 2.353 32 3HG2 THR 4 3HG2 THR 4 40.090 1.151 0.874 33 H CYS 5 H CYS 5 39.533 -1.194 -2.955 34 HA CYS 5 HA CYS 5 41.192 -1.901 -4.324 35 1HB CYS 5 2HB CYS 5 42.546 -0.982 -2.058 36 2HB CYS 5 1HB CYS 5 43.236 -2.574 -2.362 37 HA PRO 6 HA PRO 6 40.845 -6.341 -4.564 38 1HB PRO 6 2HB PRO 6 43.694 -6.311 -5.458 39 2HB PRO 6 1HB PRO 6 42.279 -7.048 -6.219 40 1HG PRO 6 2HG PRO 6 43.314 -4.804 -7.182 41 2HG PRO 6 1HG PRO 6 41.554 -5.040 -7.126 42 1HD PRO 6 2HD PRO 6 43.316 -3.389 -5.367 43 2HD PRO 6 1HD PRO 6 41.670 -3.057 -5.948 44 HA PRO 7 HA PRO 7 42.438 -8.685 -1.162 45 1HB PRO 7 2HB PRO 7 44.138 -10.226 -3.086 46 2HB PRO 7 1HB PRO 7 43.112 -10.816 -1.772 47 1HG PRO 7 2HG PRO 7 42.281 -10.928 -4.297 48 2HG PRO 7 1HG PRO 7 41.161 -10.519 -2.987 49 1HD PRO 7 2HD PRO 7 42.337 -8.779 -5.080 50 2HD PRO 7 1HD PRO 7 40.799 -8.621 -4.211 51 H ASN 8 H ASN 8 45.243 -8.613 -3.389 52 HA ASN 8 HA ASN 8 47.014 -8.057 -1.159 53 1HB ASN 8 2HB ASN 8 47.518 -9.703 -3.044 54 2HB ASN 8 1HB ASN 8 47.772 -8.299 -4.074 55 1HD2 ASN 8 1HD2 ASN 8 49.657 -7.157 -3.899 56 2HD2 ASN 8 2HD2 ASN 8 50.969 -7.626 -2.880 57 H GLN 9 H GLN 9 45.081 -6.046 -1.942 58 HA GLN 9 HA GLN 9 46.919 -3.889 -2.681 59 1HB GLN 9 2HB GLN 9 44.458 -4.719 -4.028 60 2HB GLN 9 1HB GLN 9 44.507 -3.009 -3.634 61 1HG GLN 9 2HG GLN 9 45.440 -2.950 -5.684 62 2HG GLN 9 1HG GLN 9 46.890 -3.166 -4.708 63 1HE2 GLN 9 1HE2 GLN 9 47.880 -5.218 -4.666 64 2HE2 GLN 9 2HE2 GLN 9 47.579 -6.389 -5.894 65 H PHE 10 H PHE 10 46.261 -1.802 -2.021 66 HA PHE 10 HA PHE 10 44.392 -1.670 0.228 67 1HB PHE 10 2HB PHE 10 46.506 -1.947 1.305 68 2HB PHE 10 1HB PHE 10 47.299 -0.844 0.188 69 HD1 PHE 10 HD1 PHE 10 44.834 -1.017 2.948 70 HD2 PHE 10 HD2 PHE 10 47.447 1.431 0.647 71 HE1 PHE 10 HE1 PHE 10 44.480 0.838 4.524 72 HE2 PHE 10 HE2 PHE 10 47.093 3.289 2.215 73 HZ PHE 10 HZ PHE 10 45.620 2.993 4.156 74 H SER 11 H SER 11 43.189 0.154 0.152 75 HA SER 11 HA SER 11 43.799 2.075 -1.923 76 1HB SER 11 2HB SER 11 41.206 1.395 -0.548 77 2HB SER 11 1HB SER 11 41.386 2.763 -1.644 78 HG SER 11 HG SER 11 41.720 1.397 -3.313 79 H CYS 12 H CYS 12 44.716 3.880 -1.283 80 HA CYS 12 HA CYS 12 44.604 5.050 1.249 81 1HB CYS 12 2HB CYS 12 46.229 5.952 -0.229 82 2HB CYS 12 1HB CYS 12 45.039 6.222 -1.497 83 H ALA 13 H ALA 13 43.330 6.909 1.943 84 HA ALA 13 HA ALA 13 40.888 6.257 2.577 85 1HB ALA 13 1HB ALA 13 41.981 8.318 3.311 86 2HB ALA 13 2HB ALA 13 40.281 8.576 2.912 87 3HB ALA 13 3HB ALA 13 41.543 9.083 1.785 88 H SER 14 H SER 14 39.792 5.080 1.113 89 HA SER 14 HA SER 14 38.542 4.556 -0.741 90 1HB SER 14 2HB SER 14 36.883 6.826 0.352 91 2HB SER 14 1HB SER 14 36.322 5.357 -0.451 92 HG SER 14 HG SER 14 37.319 5.697 2.156 93 H GLY 15 H GLY 15 40.105 5.334 -2.329 94 1HA GLY 15 2HA GLY 15 38.830 6.725 -4.390 95 2HA GLY 15 1HA GLY 15 39.873 7.868 -3.554 96 H ARG 16 H ARG 16 41.987 6.249 -2.879 97 HA ARG 16 HA ARG 16 43.225 5.864 -5.491 98 1HB ARG 16 2HB ARG 16 44.451 5.830 -2.721 99 2HB ARG 16 1HB ARG 16 45.343 5.723 -4.230 100 1HG ARG 16 2HG ARG 16 45.567 7.947 -3.493 101 2HG ARG 16 1HG ARG 16 44.402 7.988 -4.816 102 1HD ARG 16 2HD ARG 16 42.563 8.100 -3.231 103 2HD ARG 16 1HD ARG 16 43.680 7.965 -1.875 104 HE ARG 16 HE ARG 16 44.458 10.178 -3.357 105 1HH1 ARG 16 1HH1 ARG 16 41.666 9.138 -1.517 106 2HH1 ARG 16 2HH1 ARG 16 41.195 10.743 -1.080 107 1HH2 ARG 16 1HH2 ARG 16 43.851 12.310 -2.759 108 2HH2 ARG 16 2HH2 ARG 16 42.446 12.550 -1.774 109 H CYS 17 H CYS 17 44.977 3.887 -5.252 110 HA CYS 17 HA CYS 17 44.004 1.593 -3.877 111 1HB CYS 17 2HB CYS 17 42.411 2.098 -5.928 112 2HB CYS 17 1HB CYS 17 43.691 1.315 -6.844 113 H ILE 18 H ILE 18 46.072 1.217 -3.272 114 HA ILE 18 HA ILE 18 48.100 0.827 -5.375 115 HB ILE 18 HB ILE 18 49.738 1.587 -3.857 116 1HG1 ILE 18 2HG1 ILE 18 47.777 1.382 -1.568 117 2HG1 ILE 18 1HG1 ILE 18 48.837 0.052 -2.025 118 1HG2 ILE 18 1HG2 ILE 18 48.238 3.407 -4.555 119 2HG2 ILE 18 2HG2 ILE 18 48.898 3.694 -2.944 120 3HG2 ILE 18 3HG2 ILE 18 47.237 3.123 -3.130 121 1HD1 ILE 18 1HD1 ILE 18 49.800 1.271 -0.215 122 2HD1 ILE 18 2HD1 ILE 18 49.674 2.776 -1.123 123 3HD1 ILE 18 3HD1 ILE 18 50.769 1.505 -1.672 124 HA PRO 19 HA PRO 19 48.455 -3.397 -3.774 125 1HB PRO 19 2HB PRO 19 51.388 -3.245 -3.913 126 2HB PRO 19 1HB PRO 19 50.278 -4.260 -4.836 127 1HG PRO 19 2HG PRO 19 51.605 -2.223 -5.974 128 2HG PRO 19 1HG PRO 19 49.957 -2.657 -6.470 129 1HD PRO 19 2HD PRO 19 50.871 -0.458 -4.637 130 2HD PRO 19 1HD PRO 19 49.664 -0.402 -5.941 131 H ILE 20 H ILE 20 48.668 -4.376 -1.785 132 HA ILE 20 HA ILE 20 49.114 -2.949 0.562 133 HB ILE 20 HB ILE 20 49.459 -5.920 0.076 134 1HG1 ILE 20 2HG1 ILE 20 47.178 -4.863 -0.356 135 2HG1 ILE 20 1HG1 ILE 20 47.213 -6.191 0.800 136 1HG2 ILE 20 1HG2 ILE 20 49.190 -4.429 2.680 137 2HG2 ILE 20 2HG2 ILE 20 50.618 -5.289 2.104 138 3HG2 ILE 20 3HG2 ILE 20 49.149 -6.181 2.499 139 1HD1 ILE 20 1HD1 ILE 20 47.143 -4.603 2.641 140 2HD1 ILE 20 2HD1 ILE 20 45.775 -4.375 1.551 141 3HD1 ILE 20 3HD1 ILE 20 47.144 -3.264 1.494 142 H SER 21 H SER 21 51.291 -4.567 -1.548 143 HA SER 21 HA SER 21 53.532 -5.001 0.010 144 1HB SER 21 2HB SER 21 53.495 -4.252 -2.914 145 2HB SER 21 1HB SER 21 54.651 -5.295 -2.085 146 HG SER 21 HG SER 21 53.289 -6.913 -2.194 147 H TRP 22 H TRP 22 52.228 -2.025 -0.709 148 HA TRP 22 HA TRP 22 54.801 -0.645 -0.959 149 1HB TRP 22 2HB TRP 22 51.996 0.265 -1.554 150 2HB TRP 22 1HB TRP 22 53.395 1.328 -1.625 151 HD1 TRP 22 HD1 TRP 22 53.357 -2.260 -3.013 152 HE1 TRP 22 HE1 TRP 22 53.707 -2.132 -5.538 153 HE3 TRP 22 HE3 TRP 22 53.222 2.805 -3.610 154 HZ2 TRP 22 HZ2 TRP 22 53.905 -0.178 -7.542 155 HZ3 TRP 22 HZ3 TRP 22 53.500 3.732 -5.876 156 HH2 TRP 22 HH2 TRP 22 53.835 2.268 -7.802 157 H THR 23 H THR 23 51.987 -0.885 1.024 158 HA THR 23 HA THR 23 51.645 1.377 2.356 159 HB THR 23 HB THR 23 51.197 0.023 4.451 160 HG1 THR 23 HG1 THR 23 51.762 -2.199 2.750 161 1HG2 THR 23 1HG2 THR 23 49.989 -0.959 1.861 162 2HG2 THR 23 2HG2 THR 23 49.460 0.451 2.778 163 3HG2 THR 23 3HG2 THR 23 49.290 -1.163 3.468 164 H CYS 24 H CYS 24 53.838 -0.964 3.729 165 HA CYS 24 HA CYS 24 55.292 1.047 5.137 166 1HB CYS 24 2HB CYS 24 54.550 -1.171 6.098 167 2HB CYS 24 1HB CYS 24 55.731 -1.938 5.048 168 H ASP 25 H ASP 25 56.134 2.036 3.024 169 HA ASP 25 HA ASP 25 58.729 0.785 2.529 170 1HB ASP 25 2HB ASP 25 58.592 0.575 0.266 171 2HB ASP 25 1HB ASP 25 56.914 0.274 0.676 172 H LEU 26 H LEU 26 57.180 3.338 3.585 173 HA LEU 26 HA LEU 26 58.193 5.082 4.585 174 1HB LEU 26 2HB LEU 26 60.428 4.398 2.767 175 2HB LEU 26 1HB LEU 26 60.362 6.041 3.376 176 HG LEU 26 HG LEU 26 60.396 3.547 5.085 177 1HD1 LEU 26 1HD1 LEU 26 62.670 4.229 5.652 178 2HD1 LEU 26 2HD1 LEU 26 62.556 5.570 4.512 179 3HD1 LEU 26 3HD1 LEU 26 62.509 3.908 3.924 180 1HD2 LEU 26 1HD2 LEU 26 60.601 6.462 5.839 181 2HD2 LEU 26 2HD2 LEU 26 60.736 5.090 6.938 182 3HD2 LEU 26 3HD2 LEU 26 59.207 5.420 6.124 183 H ASP 27 H ASP 27 56.128 5.763 3.701 184 HA ASP 27 HA ASP 27 55.142 7.821 3.586 185 1HB ASP 27 2HB ASP 27 57.578 8.680 3.896 186 2HB ASP 27 1HB ASP 27 57.512 9.012 2.169 187 H ASP 28 H ASP 28 55.260 9.726 1.564 188 HA ASP 28 HA ASP 28 54.537 10.323 -0.458 189 1HB ASP 28 2HB ASP 28 56.350 8.750 -1.281 190 2HB ASP 28 1HB ASP 28 55.064 7.575 -1.551 191 H ASP 29 H ASP 29 53.345 7.032 0.270 192 HA ASP 29 HA ASP 29 50.881 7.527 -1.142 193 1HB ASP 29 2HB ASP 29 52.202 5.235 -0.270 194 2HB ASP 29 1HB ASP 29 50.763 5.310 0.742 195 H CYS 30 H CYS 30 48.863 6.531 0.523 196 HA CYS 30 HA CYS 30 48.926 8.228 2.880 197 1HB CYS 30 2HB CYS 30 46.740 9.328 2.160 198 2HB CYS 30 1HB CYS 30 48.245 9.905 1.463 199 H GLY 31 H GLY 31 48.758 5.707 3.351 200 1HA GLY 31 2HA GLY 31 46.082 4.735 3.607 201 2HA GLY 31 1HA GLY 31 47.469 4.209 4.555 202 H ASP 32 H ASP 32 48.064 6.887 5.421 203 HA ASP 32 HA ASP 32 45.789 7.694 7.065 204 1HB ASP 32 2HB ASP 32 47.395 7.874 9.056 205 2HB ASP 32 1HB ASP 32 46.870 6.254 8.623 206 H ARG 33 H ARG 33 49.018 8.225 5.958 207 HA ARG 33 HA ARG 33 48.694 10.849 5.040 208 1HB ARG 33 2HB ARG 33 48.738 11.494 7.400 209 2HB ARG 33 1HB ARG 33 50.174 10.512 7.669 210 1HG ARG 33 2HG ARG 33 51.304 12.000 5.933 211 2HG ARG 33 1HG ARG 33 49.925 13.079 6.144 212 1HD ARG 33 2HD ARG 33 51.798 12.153 8.317 213 2HD ARG 33 1HD ARG 33 51.817 13.739 7.549 214 HE ARG 33 HE ARG 33 49.284 13.085 8.725 215 1HH1 ARG 33 1HH1 ARG 33 52.474 14.349 9.364 216 2HH1 ARG 33 2HH1 ARG 33 51.991 15.268 10.760 217 1HH2 ARG 33 1HH2 ARG 33 48.626 14.291 10.581 218 2HH2 ARG 33 2HH2 ARG 33 49.803 15.219 11.450 219 H SER 34 H SER 34 50.715 8.382 6.408 220 HA SER 34 HA SER 34 52.439 8.403 4.042 221 1HB SER 34 2HB SER 34 53.506 8.261 6.879 222 2HB SER 34 1HB SER 34 54.455 8.224 5.394 223 HG SER 34 HG SER 34 54.424 10.311 5.359 224 H ASP 35 H ASP 35 50.331 6.780 5.779 225 HA ASP 35 HA ASP 35 49.616 4.617 5.727 226 1HB ASP 35 2HB ASP 35 52.193 4.021 4.275 227 2HB ASP 35 1HB ASP 35 50.897 2.862 4.552 228 H GLU 36 H GLU 36 52.580 5.502 7.098 229 HA GLU 36 HA GLU 36 52.955 2.847 8.272 230 1HB GLU 36 2HB GLU 36 54.880 5.091 7.686 231 2HB GLU 36 1HB GLU 36 55.321 3.631 8.564 232 1HG GLU 36 2HG GLU 36 55.250 2.317 6.724 233 2HG GLU 36 1HG GLU 36 53.961 3.255 5.972 234 H SER 37 H SER 37 51.172 4.940 9.327 235 HA SER 37 HA SER 37 52.262 4.652 12.037 236 1HB SER 37 2HB SER 37 50.885 6.697 12.655 237 2HB SER 37 1HB SER 37 52.309 7.008 11.662 238 HG SER 37 HG SER 37 50.110 6.506 10.135 239 H ALA 38 H ALA 38 49.969 3.721 9.853 240 HA ALA 38 HA ALA 38 48.178 2.883 12.008 241 1HB ALA 38 1HB ALA 38 47.311 3.712 9.248 242 2HB ALA 38 2HB ALA 38 47.102 4.655 10.723 243 3HB ALA 38 3HB ALA 38 46.254 3.121 10.531 244 H SER 39 H SER 39 49.819 1.957 9.081 245 HA SER 39 HA SER 39 48.653 -0.718 9.427 246 1HB SER 39 2HB SER 39 49.364 -1.223 7.145 247 2HB SER 39 1HB SER 39 48.373 0.234 7.167 248 HG SER 39 HG SER 39 50.158 1.468 6.818 249 H CYS 40 H CYS 40 51.754 0.879 8.725 250 HA CYS 40 HA CYS 40 53.124 -1.520 9.691 251 1HB CYS 40 2HB CYS 40 53.781 -0.345 7.501 252 2HB CYS 40 1HB CYS 40 54.497 0.895 8.531 253 H ALA 41 H ALA 41 54.139 -1.587 11.611 254 HA ALA 41 HA ALA 41 54.044 0.824 13.265 255 1HB ALA 41 1HB ALA 41 54.462 -0.677 15.146 256 2HB ALA 41 2HB ALA 41 54.617 -2.036 14.034 257 3HB ALA 41 3HB ALA 41 53.070 -1.206 14.204 258 H TYR 42 H TYR 42 56.133 -0.691 11.241 259 HA TYR 42 HA TYR 42 58.377 -0.898 10.971 260 1HB TYR 42 2HB TYR 42 57.910 1.858 11.976 261 2HB TYR 42 1HB TYR 42 59.581 1.305 11.893 262 HD1 TYR 42 HD1 TYR 42 56.488 1.500 9.819 263 HD2 TYR 42 HD2 TYR 42 60.744 1.464 9.894 264 HE1 TYR 42 HE1 TYR 42 56.527 1.942 7.388 265 HE2 TYR 42 HE2 TYR 42 60.795 1.936 7.487 266 HH TYR 42 HH TYR 42 58.137 2.999 5.764 267 HA PRO 43 HA PRO 43 59.642 -1.977 15.290 268 1HB PRO 43 2HB PRO 43 58.660 -4.447 15.636 269 2HB PRO 43 1HB PRO 43 57.659 -3.014 15.894 270 1HG PRO 43 2HG PRO 43 57.606 -4.974 13.685 271 2HG PRO 43 1HG PRO 43 56.310 -3.939 14.301 272 1HD PRO 43 2HD PRO 43 57.991 -3.498 12.016 273 2HD PRO 43 1HD PRO 43 56.702 -2.452 12.641 274 H THR 44 H THR 44 59.993 -3.245 12.196 275 HA THR 44 HA THR 44 62.585 -4.277 12.510 276 HB THR 44 HB THR 44 61.469 -6.088 13.757 277 HG1 THR 44 HG1 THR 44 62.416 -6.815 11.169 278 1HG2 THR 44 1HG2 THR 44 59.897 -6.557 11.217 279 2HG2 THR 44 2HG2 THR 44 59.246 -5.949 12.739 280 3HG2 THR 44 3HG2 THR 44 59.877 -7.592 12.647 281 H CYS 45 H CYS 45 61.186 -2.565 10.761 282 HA CYS 45 HA CYS 45 60.610 -2.114 8.617 283 1HB CYS 45 2HB CYS 45 62.249 -4.593 8.011 284 2HB CYS 45 1HB CYS 45 61.693 -3.423 6.813 285 H PHE 46 H PHE 46 60.053 -4.177 6.511 286 HA PHE 46 HA PHE 46 57.732 -5.473 7.751 287 1HB PHE 46 2HB PHE 46 57.407 -3.116 6.501 288 2HB PHE 46 1HB PHE 46 57.251 -4.203 5.124 289 HD1 PHE 46 HD1 PHE 46 55.048 -4.438 4.570 290 HD2 PHE 46 HD2 PHE 46 56.146 -4.424 8.674 291 HE1 PHE 46 HE1 PHE 46 52.720 -4.886 5.182 292 HE2 PHE 46 HE2 PHE 46 53.814 -4.881 9.307 293 HZ PHE 46 HZ PHE 46 52.089 -5.109 7.561 294 HA PRO 47 HA PRO 47 59.311 -8.705 5.200 295 1HB PRO 47 2HB PRO 47 57.356 -10.491 6.248 296 2HB PRO 47 1HB PRO 47 59.028 -10.291 6.772 297 1HG PRO 47 2HG PRO 47 56.799 -9.648 8.283 298 2HG PRO 47 1HG PRO 47 58.429 -9.010 8.551 299 1HD PRO 47 2HD PRO 47 56.103 -7.749 7.157 300 2HD PRO 47 1HD PRO 47 57.325 -7.007 8.216 301 H LEU 48 H LEU 48 56.715 -7.048 4.314 302 HA LEU 48 HA LEU 48 55.253 -8.975 2.781 303 1HB LEU 48 2HB LEU 48 55.423 -5.970 2.665 304 2HB LEU 48 1HB LEU 48 54.544 -6.867 1.445 305 HG LEU 48 HG LEU 48 53.942 -6.734 4.394 306 1HD1 LEU 48 1HD1 LEU 48 51.836 -5.761 3.589 307 2HD1 LEU 48 2HD1 LEU 48 52.444 -5.839 1.936 308 3HD1 LEU 48 3HD1 LEU 48 53.235 -4.798 3.120 309 1HD2 LEU 48 1HD2 LEU 48 53.567 -9.013 3.565 310 2HD2 LEU 48 2HD2 LEU 48 52.571 -8.370 2.259 311 3HD2 LEU 48 3HD2 LEU 48 52.048 -8.196 3.934 312 H THR 49 H THR 49 57.731 -6.584 2.002 313 HA THR 49 HA THR 49 59.016 -7.980 -0.013 314 HB THR 49 HB THR 49 56.996 -7.966 -1.302 315 HG1 THR 49 HG1 THR 49 58.779 -7.488 -2.568 316 1HG2 THR 49 1HG2 THR 49 56.846 -4.985 -0.855 317 2HG2 THR 49 2HG2 THR 49 55.824 -6.197 -0.082 318 3HG2 THR 49 3HG2 THR 49 55.735 -5.954 -1.827 319 H GLN 50 H GLN 50 60.825 -6.984 0.801 320 HA GLN 50 HA GLN 50 61.097 -4.122 0.495 321 1HB GLN 50 2HB GLN 50 60.296 -5.317 2.974 322 2HB GLN 50 1HB GLN 50 61.910 -4.652 3.154 323 1HG GLN 50 2HG GLN 50 61.058 -2.489 2.295 324 2HG GLN 50 1HG GLN 50 59.435 -3.184 2.296 325 1HE2 GLN 50 1HE2 GLN 50 58.740 -1.649 3.810 326 2HE2 GLN 50 2HE2 GLN 50 59.194 -1.759 5.475 327 H PHE 51 H PHE 51 63.200 -3.371 0.891 328 HA PHE 51 HA PHE 51 65.291 -5.412 1.282 329 1HB PHE 51 2HB PHE 51 65.242 -4.490 -1.059 330 2HB PHE 51 1HB PHE 51 65.504 -2.885 -0.392 331 HD1 PHE 51 HD1 PHE 51 67.663 -2.156 0.244 332 HD2 PHE 51 HD2 PHE 51 67.013 -6.211 -0.864 333 HE1 PHE 51 HE1 PHE 51 70.088 -2.514 0.154 334 HE2 PHE 51 HE2 PHE 51 69.441 -6.579 -0.955 335 HZ PHE 51 HZ PHE 51 70.984 -4.729 -0.446 336 H THR 52 H THR 52 66.899 -4.774 2.782 337 HA THR 52 HA THR 52 66.076 -2.433 4.345 338 HB THR 52 HB THR 52 67.768 -4.749 5.294 339 HG1 THR 52 HG1 THR 52 64.963 -4.332 5.631 340 1HG2 THR 52 1HG2 THR 52 67.091 -3.947 7.526 341 2HG2 THR 52 2HG2 THR 52 66.234 -2.605 6.768 342 3HG2 THR 52 3HG2 THR 52 67.987 -2.720 6.630 343 H CYS 53 H CYS 53 67.254 -0.726 3.625 344 HA CYS 53 HA CYS 53 69.948 -0.720 2.910 345 1HB CYS 53 2HB CYS 53 68.313 1.372 4.317 346 2HB CYS 53 1HB CYS 53 69.964 1.647 3.768 347 H ASN 54 H ASN 54 71.888 -0.457 4.021 348 HA ASN 54 HA ASN 54 72.064 -2.086 6.305 349 1HB ASN 54 2HB ASN 54 74.043 -0.356 4.862 350 2HB ASN 54 1HB ASN 54 74.479 -1.126 6.384 351 1HD2 ASN 54 1HD2 ASN 54 72.316 -2.538 3.992 352 2HD2 ASN 54 2HD2 ASN 54 73.374 -3.828 3.544 353 H ASN 55 H ASN 55 71.799 1.382 5.980 354 HA ASN 55 HA ASN 55 72.599 2.148 8.552 355 1HB ASN 55 2HB ASN 55 71.197 3.355 6.332 356 2HB ASN 55 1HB ASN 55 70.464 3.835 7.858 357 1HD2 ASN 55 1HD2 ASN 55 73.308 3.965 5.855 358 2HD2 ASN 55 2HD2 ASN 55 74.122 5.193 6.775 359 H GLY 56 H GLY 56 69.852 0.396 7.526 360 1HA GLY 56 2HA GLY 56 68.553 -0.773 9.199 361 2HA GLY 56 1HA GLY 56 68.691 0.648 10.225 362 H ARG 57 H ARG 57 68.202 1.629 7.093 363 HA ARG 57 HA ARG 57 65.398 2.185 7.674 364 1HB ARG 57 2HB ARG 57 65.573 4.023 6.326 365 2HB ARG 57 1HB ARG 57 67.270 3.844 6.735 366 1HG ARG 57 2HG ARG 57 67.192 2.329 4.531 367 2HG ARG 57 1HG ARG 57 65.886 3.462 4.162 368 1HD ARG 57 2HD ARG 57 67.508 5.305 4.813 369 2HD ARG 57 1HD ARG 57 68.764 4.070 4.790 370 HE ARG 57 HE ARG 57 68.128 3.732 2.396 371 1HH1 ARG 57 1HH1 ARG 57 67.516 6.771 4.014 372 2HH1 ARG 57 2HH1 ARG 57 67.651 7.721 2.574 373 1HH2 ARG 57 1HH2 ARG 57 68.338 4.990 0.475 374 2HH2 ARG 57 2HH2 ARG 57 68.116 6.707 0.559 375 H CYS 58 H CYS 58 63.719 1.584 6.210 376 HA CYS 58 HA CYS 58 64.458 -0.886 4.812 377 1HB CYS 58 2HB CYS 58 61.659 -0.237 5.626 378 2HB CYS 58 1HB CYS 58 62.471 -1.798 5.546 379 H ILE 59 H ILE 59 64.338 -0.834 2.655 380 HA ILE 59 HA ILE 59 62.698 1.278 1.492 381 HB ILE 59 HB ILE 59 64.037 1.144 -0.540 382 1HG1 ILE 59 2HG1 ILE 59 65.997 -0.589 0.943 383 2HG1 ILE 59 1HG1 ILE 59 64.712 -1.293 -0.036 384 1HG2 ILE 59 1HG2 ILE 59 66.046 2.209 0.340 385 2HG2 ILE 59 2HG2 ILE 59 65.671 1.604 1.952 386 3HG2 ILE 59 3HG2 ILE 59 64.601 2.773 1.178 387 1HD1 ILE 59 1HD1 ILE 59 66.787 0.636 -1.042 388 2HD1 ILE 59 2HD1 ILE 59 65.556 -0.193 -2.003 389 3HD1 ILE 59 3HD1 ILE 59 66.845 -1.116 -1.227 390 H ASN 60 H ASN 60 61.701 0.779 -0.619 391 HA ASN 60 HA ASN 60 60.242 -1.669 -0.478 392 1HB ASN 60 2HB ASN 60 59.385 0.572 -1.305 393 2HB ASN 60 1HB ASN 60 60.332 0.311 -2.761 394 1HD2 ASN 60 1HD2 ASN 60 57.432 0.609 -2.263 395 2HD2 ASN 60 2HD2 ASN 60 56.705 -0.785 -3.004 396 H ILE 61 H ILE 61 60.434 -3.502 -1.724 397 HA ILE 61 HA ILE 61 63.018 -4.085 -2.741 398 HB ILE 61 HB ILE 61 60.818 -5.583 -1.917 399 1HG1 ILE 61 2HG1 ILE 61 63.170 -6.074 -1.460 400 2HG1 ILE 61 1HG1 ILE 61 62.344 -7.487 -2.101 401 1HG2 ILE 61 1HG2 ILE 61 59.911 -5.633 -4.164 402 2HG2 ILE 61 2HG2 ILE 61 60.480 -7.233 -3.689 403 3HG2 ILE 61 3HG2 ILE 61 61.443 -6.247 -4.787 404 1HD1 ILE 61 1HD1 ILE 61 63.341 -7.073 -4.293 405 2HD1 ILE 61 2HD1 ILE 61 64.566 -7.265 -3.038 406 3HD1 ILE 61 3HD1 ILE 61 64.168 -5.658 -3.641 407 H ASN 62 H ASN 62 60.335 -2.604 -4.124 408 HA ASN 62 HA ASN 62 60.695 -3.586 -6.819 409 1HB ASN 62 2HB ASN 62 58.468 -2.958 -5.790 410 2HB ASN 62 1HB ASN 62 58.974 -1.277 -5.895 411 1HD2 ASN 62 1HD2 ASN 62 59.749 -3.704 -8.310 412 2HD2 ASN 62 2HD2 ASN 62 58.765 -3.038 -9.560 413 H TRP 63 H TRP 63 62.793 -1.908 -5.297 414 HA TRP 63 HA TRP 63 63.051 0.257 -7.268 415 1HB TRP 63 2HB TRP 63 64.355 -0.019 -4.554 416 2HB TRP 63 1HB TRP 63 64.623 1.313 -5.669 417 HD1 TRP 63 HD1 TRP 63 61.025 0.407 -5.665 418 HE1 TRP 63 HE1 TRP 63 59.682 2.056 -4.209 419 HE3 TRP 63 HE3 TRP 63 64.897 2.721 -3.283 420 HZ2 TRP 63 HZ2 TRP 63 60.200 4.065 -2.305 421 HZ3 TRP 63 HZ3 TRP 63 64.396 4.494 -1.651 422 HH2 TRP 63 HH2 TRP 63 62.092 5.152 -1.173 423 H ARG 64 H ARG 64 63.900 -2.752 -7.207 424 HA ARG 64 HA ARG 64 66.700 -2.691 -7.762 425 1HB ARG 64 2HB ARG 64 64.808 -4.616 -9.107 426 2HB ARG 64 1HB ARG 64 66.476 -4.868 -8.627 427 1HG ARG 64 2HG ARG 64 64.278 -4.510 -6.624 428 2HG ARG 64 1HG ARG 64 64.693 -6.081 -7.309 429 1HD ARG 64 2HD ARG 64 66.590 -4.264 -5.827 430 2HD ARG 64 1HD ARG 64 65.768 -5.659 -5.133 431 HE ARG 64 HE ARG 64 67.228 -6.443 -7.420 432 1HH1 ARG 64 1HH1 ARG 64 67.667 -5.484 -4.080 433 2HH1 ARG 64 2HH1 ARG 64 69.236 -6.216 -3.937 434 1HH2 ARG 64 1HH2 ARG 64 69.289 -7.465 -7.209 435 2HH2 ARG 64 2HH2 ARG 64 70.161 -7.325 -5.709 436 H CYS 65 H CYS 65 67.089 -0.909 -9.138 437 HA CYS 65 HA CYS 65 65.457 -0.462 -11.442 438 1HB CYS 65 2HB CYS 65 67.088 1.370 -11.916 439 2HB CYS 65 1HB CYS 65 66.363 1.452 -10.313 440 H ASP 66 H ASP 66 68.842 -1.305 -11.030 441 HA ASP 66 HA ASP 66 68.890 -2.198 -13.835 442 1HB ASP 66 2HB ASP 66 71.269 -1.668 -13.840 443 2HB ASP 66 1HB ASP 66 70.342 -0.262 -13.326 444 H ASN 67 H ASN 67 70.399 -2.875 -10.690 445 HA ASN 67 HA ASN 67 70.386 -5.712 -11.334 446 1HB ASN 67 2HB ASN 67 72.635 -4.982 -11.868 447 2HB ASN 67 1HB ASN 67 72.768 -4.155 -10.319 448 1HD2 ASN 67 1HD2 ASN 67 73.226 -5.314 -8.495 449 2HD2 ASN 67 2HD2 ASN 67 73.690 -6.978 -8.525 450 H ASP 68 H ASP 68 71.168 -3.348 -8.763 451 HA ASP 68 HA ASP 68 69.888 -5.236 -6.909 452 1HB ASP 68 2HB ASP 68 72.377 -4.504 -6.574 453 2HB ASP 68 1HB ASP 68 71.656 -3.039 -5.901 454 H ASN 69 H ASN 69 69.715 -3.132 -4.808 455 HA ASN 69 HA ASN 69 67.112 -2.173 -5.845 456 1HB ASN 69 2HB ASN 69 67.334 -4.026 -4.052 457 2HB ASN 69 1HB ASN 69 67.751 -2.715 -2.959 458 1HD2 ASN 69 1HD2 ASN 69 65.965 -0.770 -4.009 459 2HD2 ASN 69 2HD2 ASN 69 64.361 -1.286 -3.602 460 H ASP 70 H ASP 70 67.124 -0.051 -6.177 461 HA ASP 70 HA ASP 70 68.778 1.926 -5.483 462 1HB ASP 70 2HB ASP 70 65.818 1.916 -5.857 463 2HB ASP 70 1HB ASP 70 66.568 3.386 -5.256 464 H CYS 71 H CYS 71 69.746 2.082 -3.605 465 HA CYS 71 HA CYS 71 68.095 2.745 -1.263 466 1HB CYS 71 2HB CYS 71 68.678 0.500 -0.824 467 2HB CYS 71 1HB CYS 71 70.313 0.712 -1.444 468 H GLY 72 H GLY 72 71.438 2.608 -2.516 469 1HA GLY 72 2HA GLY 72 72.966 4.346 -2.676 470 2HA GLY 72 1HA GLY 72 71.778 5.422 -1.962 471 H ASP 73 H ASP 73 72.014 2.763 -0.009 472 HA ASP 73 HA ASP 73 73.969 4.099 1.698 473 1HB ASP 73 2HB ASP 73 71.939 4.485 2.773 474 2HB ASP 73 1HB ASP 73 71.279 2.919 2.318 475 H ASN 74 H ASN 74 75.402 2.685 0.463 476 HA ASN 74 HA ASN 74 77.028 1.097 0.617 477 1HB ASN 74 2HB ASN 74 75.691 0.425 3.246 478 2HB ASN 74 1HB ASN 74 77.253 -0.190 2.723 479 1HD2 ASN 74 1HD2 ASN 74 75.519 2.536 4.002 480 2HD2 ASN 74 2HD2 ASN 74 76.906 3.524 4.297 481 H SER 75 H SER 75 73.919 0.384 0.091 482 HA SER 75 HA SER 75 74.103 -2.492 0.339 483 1HB SER 75 2HB SER 75 71.775 -0.781 -0.495 484 2HB SER 75 1HB SER 75 71.718 -2.493 -0.063 485 HG SER 75 HG SER 75 72.709 -0.558 1.748 486 H ASP 76 H ASP 76 72.268 -0.867 -2.024 487 HA ASP 76 HA ASP 76 72.529 -2.737 -4.025 488 1HB ASP 76 2HB ASP 76 71.651 -0.847 -5.496 489 2HB ASP 76 1HB ASP 76 70.686 -1.252 -4.085 490 H GLU 77 H GLU 77 73.939 0.479 -3.969 491 HA GLU 77 HA GLU 77 76.409 0.000 -5.047 492 1HB GLU 77 2HB GLU 77 75.769 0.953 -7.477 493 2HB GLU 77 1HB GLU 77 75.952 -0.753 -7.132 494 1HG GLU 77 2HG GLU 77 74.006 -0.445 -8.466 495 2HG GLU 77 1HG GLU 77 73.502 -0.921 -6.850 496 H ALA 78 H ALA 78 73.688 2.041 -4.654 497 HA ALA 78 HA ALA 78 73.487 4.235 -4.066 498 1HB ALA 78 1HB ALA 78 76.456 4.055 -3.573 499 2HB ALA 78 2HB ALA 78 75.190 3.653 -2.413 500 3HB ALA 78 3HB ALA 78 75.377 5.315 -2.972 501 H GLY 79 H GLY 79 74.085 3.564 -6.913 502 1HA GLY 79 2HA GLY 79 75.044 6.256 -7.675 503 2HA GLY 79 1HA GLY 79 75.676 4.829 -8.478 504 H CYS 80 H CYS 80 72.800 3.694 -8.163 505 HA CYS 80 HA CYS 80 71.976 4.270 -10.792 506 1HB CYS 80 2HB CYS 80 71.406 2.203 -9.519 507 2HB CYS 80 1HB CYS 80 70.289 3.150 -8.544 508 H SER 81 H SER 81 70.686 5.429 -7.680 509 HA SER 81 HA SER 81 68.852 7.200 -9.060 510 1HB SER 81 2HB SER 81 68.735 7.755 -6.329 511 2HB SER 81 1HB SER 81 67.667 6.679 -7.231 512 HG SER 81 HG SER 81 68.800 4.950 -6.596 513 H HIS 82 HN HIS 82 69.398 9.158 -9.688 514 HA HIS 82 HA HIS 82 71.023 10.836 -7.970 515 1HB HIS 82 2HB HIS 82 72.415 11.568 -9.960 516 2HB HIS 82 1HB HIS 82 72.778 9.975 -9.315 517 HD1 HIS 82 HD1 HIS 82 70.051 10.843 -11.834 518 HD2 HIS 82 HD2 HIS 82 73.583 8.670 -11.533 519 HE1 HIS 82 HE1 HIS 82 70.317 9.598 -14.026 Start of MODEL 5 1 1H SER 1 1HT SER 1 36.721 -6.555 -2.638 2 2H SER 1 2HT SER 1 36.141 -8.142 -2.577 3 3H SER 1 3HT SER 1 37.244 -7.687 -3.779 4 HA SER 1 HA SER 1 38.318 -8.975 -2.047 5 1HB SER 1 2HB SER 1 39.166 -6.065 -1.940 6 2HB SER 1 1HB SER 1 40.192 -7.488 -1.759 7 HG SER 1 HG SER 1 39.924 -6.246 -3.932 8 H ALA 2 H ALA 2 39.475 -8.342 0.207 9 HA ALA 2 HA ALA 2 37.357 -7.917 2.124 10 1HB ALA 2 1HB ALA 2 39.107 -8.338 3.803 11 2HB ALA 2 2HB ALA 2 40.318 -8.354 2.523 12 3HB ALA 2 3HB ALA 2 39.069 -9.597 2.564 13 H ARG 3 H ARG 3 38.652 -5.829 0.245 14 HA ARG 3 HA ARG 3 38.393 -3.564 1.937 15 1HB ARG 3 2HB ARG 3 40.717 -4.406 2.470 16 2HB ARG 3 1HB ARG 3 41.140 -4.135 0.788 17 1HG ARG 3 2HG ARG 3 40.780 -1.760 1.033 18 2HG ARG 3 1HG ARG 3 40.212 -1.986 2.690 19 1HD ARG 3 2HD ARG 3 42.568 -1.227 2.557 20 2HD ARG 3 1HD ARG 3 42.382 -2.778 3.375 21 HE ARG 3 HE ARG 3 43.051 -2.829 0.532 22 1HH1 ARG 3 1HH1 ARG 3 44.103 -3.191 3.857 23 2HH1 ARG 3 2HH1 ARG 3 45.555 -4.038 3.436 24 1HH2 ARG 3 1HH2 ARG 3 44.965 -3.962 -0.024 25 2HH2 ARG 3 2HH2 ARG 3 46.037 -4.480 1.234 26 H THR 4 H THR 4 38.994 -1.552 0.513 27 HA THR 4 HA THR 4 37.519 -1.621 -1.818 28 HB THR 4 HB THR 4 39.731 0.356 -1.298 29 HG1 THR 4 HG1 THR 4 37.095 0.697 -0.343 30 1HG2 THR 4 1HG2 THR 4 38.228 1.918 -2.425 31 2HG2 THR 4 2HG2 THR 4 37.026 0.643 -2.613 32 3HG2 THR 4 3HG2 THR 4 38.567 0.533 -3.460 33 H CYS 5 H CYS 5 41.017 -1.598 -1.475 34 HA CYS 5 HA CYS 5 41.317 -2.280 -4.295 35 1HB CYS 5 2HB CYS 5 43.330 -1.417 -2.223 36 2HB CYS 5 1HB CYS 5 43.757 -1.891 -3.869 37 HA PRO 6 HA PRO 6 42.028 -6.588 -3.680 38 1HB PRO 6 2HB PRO 6 44.293 -6.254 -5.583 39 2HB PRO 6 1HB PRO 6 42.901 -7.341 -5.665 40 1HG PRO 6 2HG PRO 6 43.001 -5.203 -7.222 41 2HG PRO 6 1HG PRO 6 41.478 -5.672 -6.440 42 1HD PRO 6 2HD PRO 6 43.421 -3.516 -5.670 43 2HD PRO 6 1HD PRO 6 41.643 -3.469 -5.707 44 HA PRO 7 HA PRO 7 45.158 -7.356 -0.718 45 1HB PRO 7 2HB PRO 7 45.942 -9.823 -2.167 46 2HB PRO 7 1HB PRO 7 45.358 -9.624 -0.511 47 1HG PRO 7 2HG PRO 7 43.785 -10.657 -2.396 48 2HG PRO 7 1HG PRO 7 43.133 -9.559 -1.165 49 1HD PRO 7 2HD PRO 7 43.824 -9.005 -4.024 50 2HD PRO 7 1HD PRO 7 42.439 -8.435 -3.069 51 H ASN 8 H ASN 8 46.194 -7.615 -4.079 52 HA ASN 8 HA ASN 8 49.007 -7.628 -3.404 53 1HB ASN 8 2HB ASN 8 47.719 -8.614 -5.525 54 2HB ASN 8 1HB ASN 8 48.093 -7.017 -6.166 55 1HD2 ASN 8 1HD2 ASN 8 50.253 -6.426 -6.477 56 2HD2 ASN 8 2HD2 ASN 8 51.511 -7.607 -6.548 57 H GLN 9 H GLN 9 46.840 -5.318 -3.124 58 HA GLN 9 HA GLN 9 48.798 -3.233 -3.405 59 1HB GLN 9 2HB GLN 9 47.011 -1.762 -4.560 60 2HB GLN 9 1HB GLN 9 47.946 -2.886 -5.534 61 1HG GLN 9 2HG GLN 9 45.513 -4.091 -4.537 62 2HG GLN 9 1HG GLN 9 45.198 -2.622 -5.464 63 1HE2 GLN 9 1HE2 GLN 9 47.981 -4.629 -6.045 64 2HE2 GLN 9 2HE2 GLN 9 47.456 -5.261 -7.567 65 H PHE 10 H PHE 10 47.181 -1.051 -2.912 66 HA PHE 10 HA PHE 10 45.798 -1.717 -0.429 67 1HB PHE 10 2HB PHE 10 48.067 -1.398 0.325 68 2HB PHE 10 1HB PHE 10 48.217 0.091 -0.600 69 HD1 PHE 10 HD1 PHE 10 47.982 2.077 0.505 70 HD2 PHE 10 HD2 PHE 10 46.096 -1.387 2.105 71 HE1 PHE 10 HE1 PHE 10 47.196 3.395 2.424 72 HE2 PHE 10 HE2 PHE 10 45.330 -0.079 4.054 73 HZ PHE 10 HZ PHE 10 45.867 2.329 4.197 74 H SER 11 H SER 11 44.400 -0.082 0.277 75 HA SER 11 HA SER 11 43.712 1.808 -1.817 76 1HB SER 11 2HB SER 11 41.397 1.700 -0.798 77 2HB SER 11 1HB SER 11 41.944 0.205 -1.561 78 HG SER 11 HG SER 11 42.179 0.779 1.206 79 H CYS 12 H CYS 12 44.491 3.759 -1.251 80 HA CYS 12 HA CYS 12 44.649 4.772 1.351 81 1HB CYS 12 2HB CYS 12 45.718 5.988 -0.450 82 2HB CYS 12 1HB CYS 12 44.177 6.223 -1.263 83 H ALA 13 H ALA 13 43.153 6.247 2.432 84 HA ALA 13 HA ALA 13 41.161 4.960 3.448 85 1HB ALA 13 1HB ALA 13 41.753 7.222 4.138 86 2HB ALA 13 2HB ALA 13 40.004 7.014 4.052 87 3HB ALA 13 3HB ALA 13 40.856 7.879 2.771 88 H SER 14 H SER 14 40.249 3.547 2.036 89 HA SER 14 HA SER 14 38.990 2.760 0.279 90 1HB SER 14 2HB SER 14 36.979 4.149 2.053 91 2HB SER 14 1HB SER 14 36.653 2.802 0.959 92 HG SER 14 HG SER 14 37.995 1.509 2.183 93 H GLY 15 H GLY 15 40.003 4.401 -1.230 94 1HA GLY 15 2HA GLY 15 37.943 5.320 -2.950 95 2HA GLY 15 1HA GLY 15 38.704 6.676 -2.128 96 H ARG 16 H ARG 16 41.316 5.865 -2.003 97 HA ARG 16 HA ARG 16 42.084 6.000 -4.817 98 1HB ARG 16 2HB ARG 16 43.765 6.330 -2.315 99 2HB ARG 16 1HB ARG 16 44.355 6.511 -3.959 100 1HG ARG 16 2HG ARG 16 44.017 8.692 -3.264 101 2HG ARG 16 1HG ARG 16 42.558 8.334 -4.189 102 1HD ARG 16 2HD ARG 16 41.372 7.841 -2.079 103 2HD ARG 16 1HD ARG 16 42.825 8.265 -1.173 104 HE ARG 16 HE ARG 16 41.470 10.216 -2.921 105 1HH1 ARG 16 1HH1 ARG 16 42.809 9.297 0.176 106 2HH1 ARG 16 2HH1 ARG 16 42.534 10.842 0.908 107 1HH2 ARG 16 1HH2 ARG 16 41.103 12.276 -1.964 108 2HH2 ARG 16 2HH2 ARG 16 41.554 12.545 -0.314 109 H CYS 17 H CYS 17 44.224 4.707 -5.283 110 HA CYS 17 HA CYS 17 44.149 2.056 -4.086 111 1HB CYS 17 2HB CYS 17 42.517 2.460 -6.198 112 2HB CYS 17 1HB CYS 17 44.006 2.028 -7.039 113 H ILE 18 H ILE 18 46.251 1.999 -3.556 114 HA ILE 18 HA ILE 18 48.265 2.655 -5.612 115 HB ILE 18 HB ILE 18 49.769 3.243 -3.832 116 1HG1 ILE 18 2HG1 ILE 18 47.700 2.501 -1.787 117 2HG1 ILE 18 1HG1 ILE 18 48.847 1.307 -2.390 118 1HG2 ILE 18 1HG2 ILE 18 48.033 4.936 -4.377 119 2HG2 ILE 18 2HG2 ILE 18 48.608 5.052 -2.713 120 3HG2 ILE 18 3HG2 ILE 18 47.047 4.301 -3.055 121 1HD1 ILE 18 1HD1 ILE 18 50.692 2.694 -1.651 122 2HD1 ILE 18 2HD1 ILE 18 49.605 2.281 -0.320 123 3HD1 ILE 18 3HD1 ILE 18 49.543 3.888 -1.040 124 HA PRO 19 HA PRO 19 49.650 -1.625 -5.171 125 1HB PRO 19 2HB PRO 19 52.453 -0.766 -4.916 126 2HB PRO 19 1HB PRO 19 51.685 -1.713 -6.193 127 1HG PRO 19 2HG PRO 19 52.503 0.815 -6.603 128 2HG PRO 19 1HG PRO 19 51.051 0.164 -7.384 129 1HD PRO 19 2HD PRO 19 51.269 1.945 -4.983 130 2HD PRO 19 1HD PRO 19 50.134 2.031 -6.350 131 H ILE 20 H ILE 20 50.653 -3.122 -3.620 132 HA ILE 20 HA ILE 20 50.376 -2.071 -0.938 133 HB ILE 20 HB ILE 20 49.424 -4.263 -1.752 134 1HG1 ILE 20 2HG1 ILE 20 49.831 -5.413 0.408 135 2HG1 ILE 20 1HG1 ILE 20 51.108 -4.251 0.748 136 1HG2 ILE 20 1HG2 ILE 20 52.257 -5.202 -1.360 137 2HG2 ILE 20 2HG2 ILE 20 51.394 -5.119 -2.897 138 3HG2 ILE 20 3HG2 ILE 20 50.859 -6.239 -1.642 139 1HD1 ILE 20 1HD1 ILE 20 49.055 -3.688 1.917 140 2HD1 ILE 20 2HD1 ILE 20 48.192 -3.605 0.380 141 3HD1 ILE 20 3HD1 ILE 20 49.472 -2.444 0.737 142 H SER 21 H SER 21 51.937 -2.729 0.762 143 HA SER 21 HA SER 21 53.981 -2.635 1.731 144 1HB SER 21 2HB SER 21 54.528 -4.454 -0.003 145 2HB SER 21 1HB SER 21 55.279 -3.164 -0.937 146 HG SER 21 HG SER 21 56.442 -2.735 1.157 147 H TRP 22 H TRP 22 52.628 -0.567 -0.042 148 HA TRP 22 HA TRP 22 54.793 1.441 0.026 149 1HB TRP 22 2HB TRP 22 52.013 1.515 -1.153 150 2HB TRP 22 1HB TRP 22 53.074 2.914 -1.088 151 HD1 TRP 22 HD1 TRP 22 53.935 -0.687 -2.209 152 HE1 TRP 22 HE1 TRP 22 54.827 -0.561 -4.601 153 HE3 TRP 22 HE3 TRP 22 53.315 4.307 -3.054 154 HZ2 TRP 22 HZ2 TRP 22 55.244 1.392 -6.607 155 HZ3 TRP 22 HZ3 TRP 22 53.979 5.227 -5.239 156 HH2 TRP 22 HH2 TRP 22 54.921 3.796 -6.976 157 H THR 23 H THR 23 52.801 0.131 2.103 158 HA THR 23 HA THR 23 51.260 2.373 3.013 159 HB THR 23 HB THR 23 50.297 0.740 4.585 160 HG1 THR 23 HG1 THR 23 52.622 -0.504 4.153 161 1HG2 THR 23 1HG2 THR 23 50.606 -0.402 1.805 162 2HG2 THR 23 2HG2 THR 23 49.422 0.817 2.288 163 3HG2 THR 23 3HG2 THR 23 49.340 -0.811 2.964 164 H CYS 24 H CYS 24 51.699 0.684 5.639 165 HA CYS 24 HA CYS 24 53.240 2.411 7.157 166 1HB CYS 24 2HB CYS 24 52.535 -0.487 7.504 167 2HB CYS 24 1HB CYS 24 53.145 0.560 8.788 168 H ASP 25 H ASP 25 55.143 2.559 5.603 169 HA ASP 25 HA ASP 25 57.238 0.822 6.530 170 1HB ASP 25 2HB ASP 25 57.909 0.417 4.009 171 2HB ASP 25 1HB ASP 25 56.831 -0.675 4.861 172 H LEU 26 H LEU 26 56.509 3.651 6.528 173 HA LEU 26 HA LEU 26 57.894 5.386 7.034 174 1HB LEU 26 2HB LEU 26 60.010 3.764 5.637 175 2HB LEU 26 1HB LEU 26 60.308 5.351 6.318 176 HG LEU 26 HG LEU 26 59.362 2.970 7.918 177 1HD1 LEU 26 1HD1 LEU 26 61.618 2.617 7.035 178 2HD1 LEU 26 2HD1 LEU 26 61.636 2.871 8.780 179 3HD1 LEU 26 3HD1 LEU 26 62.118 4.176 7.696 180 1HD2 LEU 26 1HD2 LEU 26 59.930 4.339 9.842 181 2HD2 LEU 26 2HD2 LEU 26 58.727 5.153 8.840 182 3HD2 LEU 26 3HD2 LEU 26 60.417 5.661 8.779 183 H ASP 27 H ASP 27 56.383 4.948 4.386 184 HA ASP 27 HA ASP 27 57.551 7.386 3.222 185 1HB ASP 27 2HB ASP 27 57.588 5.098 1.832 186 2HB ASP 27 1HB ASP 27 55.972 5.654 1.397 187 H ASP 28 H ASP 28 55.867 8.621 1.893 188 HA ASP 28 HA ASP 28 53.697 8.968 3.847 189 1HB ASP 28 2HB ASP 28 55.310 10.831 3.556 190 2HB ASP 28 1HB ASP 28 54.808 10.975 1.877 191 H ASP 29 H ASP 29 52.445 7.305 2.799 192 HA ASP 29 HA ASP 29 51.041 8.259 0.399 193 1HB ASP 29 2HB ASP 29 51.430 5.584 1.632 194 2HB ASP 29 1HB ASP 29 49.863 5.878 0.885 195 H CYS 30 H CYS 30 48.798 6.384 1.665 196 HA CYS 30 HA CYS 30 47.813 7.823 3.832 197 1HB CYS 30 2HB CYS 30 45.916 8.988 2.782 198 2HB CYS 30 1HB CYS 30 47.465 9.649 2.265 199 H GLY 31 H GLY 31 45.865 7.027 4.560 200 1HA GLY 31 2HA GLY 31 44.171 5.204 3.297 201 2HA GLY 31 1HA GLY 31 45.439 4.292 4.126 202 H ASP 32 H ASP 32 45.961 6.047 6.142 203 HA ASP 32 HA ASP 32 43.418 6.223 7.651 204 1HB ASP 32 2HB ASP 32 44.817 6.249 9.706 205 2HB ASP 32 1HB ASP 32 45.007 4.770 8.780 206 H ARG 33 H ARG 33 46.299 7.854 6.638 207 HA ARG 33 HA ARG 33 45.185 10.435 6.548 208 1HB ARG 33 2HB ARG 33 45.321 10.334 8.978 209 2HB ARG 33 1HB ARG 33 46.996 9.816 8.891 210 1HG ARG 33 2HG ARG 33 47.552 12.008 7.856 211 2HG ARG 33 1HG ARG 33 45.884 12.511 8.152 212 1HD ARG 33 2HD ARG 33 46.181 12.153 10.538 213 2HD ARG 33 1HD ARG 33 47.826 11.585 10.265 214 HE ARG 33 HE ARG 33 47.419 14.214 9.245 215 1HH1 ARG 33 1HH1 ARG 33 48.052 12.400 12.173 216 2HH1 ARG 33 2HH1 ARG 33 48.792 13.737 12.996 217 1HH2 ARG 33 1HH2 ARG 33 48.415 15.982 10.345 218 2HH2 ARG 33 2HH2 ARG 33 48.990 15.758 11.971 219 H SER 34 H SER 34 48.297 9.049 7.537 220 HA SER 34 HA SER 34 49.478 9.909 4.983 221 1HB SER 34 2HB SER 34 50.770 10.024 7.722 222 2HB SER 34 1HB SER 34 51.574 10.403 6.198 223 HG SER 34 HG SER 34 50.515 12.242 6.058 224 H ASP 35 H ASP 35 48.515 7.407 6.748 225 HA ASP 35 HA ASP 35 48.791 5.174 6.594 226 1HB ASP 35 2HB ASP 35 49.605 6.106 4.146 227 2HB ASP 35 1HB ASP 35 50.958 5.097 4.664 228 H GLU 36 H GLU 36 50.384 6.848 8.354 229 HA GLU 36 HA GLU 36 52.328 4.787 9.059 230 1HB GLU 36 2HB GLU 36 52.833 7.739 8.856 231 2HB GLU 36 1HB GLU 36 53.786 6.734 9.941 232 1HG GLU 36 2HG GLU 36 53.509 6.365 6.971 233 2HG GLU 36 1HG GLU 36 54.896 7.065 7.809 234 H SER 37 H SER 37 49.824 4.851 10.118 235 HA SER 37 HA SER 37 50.497 5.308 12.911 236 1HB SER 37 2HB SER 37 48.024 6.522 11.650 237 2HB SER 37 1HB SER 37 48.373 6.490 13.380 238 HG SER 37 HG SER 37 50.498 7.464 12.100 239 H ALA 38 H ALA 38 47.763 4.358 10.809 240 HA ALA 38 HA ALA 38 46.335 2.936 12.714 241 1HB ALA 38 1HB ALA 38 46.389 2.366 9.757 242 2HB ALA 38 2HB ALA 38 45.456 3.648 10.531 243 3HB ALA 38 3HB ALA 38 45.099 1.958 10.890 244 H SER 39 H SER 39 48.264 1.356 10.132 245 HA SER 39 HA SER 39 48.297 -1.047 11.840 246 1HB SER 39 2HB SER 39 47.150 -1.270 9.634 247 2HB SER 39 1HB SER 39 48.658 -0.844 8.826 248 HG SER 39 HG SER 39 49.524 -2.729 10.104 249 H CYS 40 H CYS 40 50.151 1.450 11.285 250 HA CYS 40 HA CYS 40 52.568 0.239 10.357 251 1HB CYS 40 2HB CYS 40 52.231 3.036 11.398 252 2HB CYS 40 1HB CYS 40 53.316 2.447 10.137 253 H ALA 41 H ALA 41 51.718 -0.842 12.862 254 HA ALA 41 HA ALA 41 53.758 0.153 14.710 255 1HB ALA 41 1HB ALA 41 52.865 -1.502 16.284 256 2HB ALA 41 2HB ALA 41 51.766 -2.100 15.041 257 3HB ALA 41 3HB ALA 41 51.584 -0.460 15.665 258 H TYR 42 H TYR 42 55.435 -0.396 13.116 259 HA TYR 42 HA TYR 42 55.903 -3.291 12.878 260 1HB TYR 42 2HB TYR 42 57.071 -2.742 10.723 261 2HB TYR 42 1HB TYR 42 55.336 -2.463 10.715 262 HD1 TYR 42 HD1 TYR 42 58.622 -0.740 10.988 263 HD2 TYR 42 HD2 TYR 42 54.464 -0.344 10.190 264 HE1 TYR 42 HE1 TYR 42 59.002 1.553 10.185 265 HE2 TYR 42 HE2 TYR 42 54.833 1.944 9.383 266 HH TYR 42 HH TYR 42 56.327 3.684 9.378 267 HA PRO 43 HA PRO 43 60.084 -2.317 14.204 268 1HB PRO 43 2HB PRO 43 60.723 -4.803 14.963 269 2HB PRO 43 1HB PRO 43 59.608 -3.817 15.915 270 1HG PRO 43 2HG PRO 43 59.058 -6.160 14.213 271 2HG PRO 43 1HG PRO 43 58.116 -5.504 15.560 272 1HD PRO 43 2HD PRO 43 57.724 -5.102 12.723 273 2HD PRO 43 1HD PRO 43 56.723 -4.517 14.068 274 H THR 44 H THR 44 59.050 -3.404 11.396 275 HA THR 44 HA THR 44 61.656 -4.245 10.395 276 HB THR 44 HB THR 44 60.553 -6.333 11.133 277 HG1 THR 44 HG1 THR 44 60.993 -5.866 8.376 278 1HG2 THR 44 1HG2 THR 44 58.538 -7.137 9.976 279 2HG2 THR 44 2HG2 THR 44 58.420 -5.605 9.111 280 3HG2 THR 44 3HG2 THR 44 58.216 -5.645 10.863 281 H CYS 45 H CYS 45 59.565 -2.016 10.000 282 HA CYS 45 HA CYS 45 58.394 -0.922 8.393 283 1HB CYS 45 2HB CYS 45 60.422 -2.268 6.593 284 2HB CYS 45 1HB CYS 45 59.359 -0.955 6.102 285 H PHE 46 H PHE 46 58.600 -2.648 5.582 286 HA PHE 46 HA PHE 46 56.283 -4.301 6.313 287 1HB PHE 46 2HB PHE 46 56.155 -1.990 4.798 288 2HB PHE 46 1HB PHE 46 56.153 -3.280 3.595 289 HD1 PHE 46 HD1 PHE 46 53.964 -3.340 2.853 290 HD2 PHE 46 HD2 PHE 46 54.760 -3.321 7.024 291 HE1 PHE 46 HE1 PHE 46 51.591 -3.777 3.300 292 HE2 PHE 46 HE2 PHE 46 52.396 -3.755 7.499 293 HZ PHE 46 HZ PHE 46 50.795 -3.980 5.633 294 HA PRO 47 HA PRO 47 58.950 -7.220 4.221 295 1HB PRO 47 2HB PRO 47 57.894 -9.433 5.284 296 2HB PRO 47 1HB PRO 47 58.872 -8.329 6.257 297 1HG PRO 47 2HG PRO 47 55.901 -8.624 6.132 298 2HG PRO 47 1HG PRO 47 56.944 -8.368 7.543 299 1HD PRO 47 2HD PRO 47 55.520 -6.373 6.253 300 2HD PRO 47 1HD PRO 47 56.953 -6.100 7.262 301 H LEU 48 H LEU 48 56.563 -6.085 2.860 302 HA LEU 48 HA LEU 48 55.340 -8.467 1.705 303 1HB LEU 48 2HB LEU 48 54.652 -5.538 1.464 304 2HB LEU 48 1HB LEU 48 53.896 -6.777 0.479 305 HG LEU 48 HG LEU 48 53.704 -6.436 3.465 306 1HD1 LEU 48 1HD1 LEU 48 51.295 -6.400 2.977 307 2HD1 LEU 48 2HD1 LEU 48 51.657 -6.523 1.257 308 3HD1 LEU 48 3HD1 LEU 48 52.162 -5.095 2.164 309 1HD2 LEU 48 1HD2 LEU 48 54.056 -8.803 3.021 310 2HD2 LEU 48 2HD2 LEU 48 52.773 -8.778 1.811 311 3HD2 LEU 48 3HD2 LEU 48 52.390 -8.495 3.509 312 H THR 49 H THR 49 56.848 -5.467 0.446 313 HA THR 49 HA THR 49 58.459 -6.933 -1.368 314 HB THR 49 HB THR 49 56.491 -7.283 -2.641 315 HG1 THR 49 HG1 THR 49 57.197 -6.516 -4.519 316 1HG2 THR 49 1HG2 THR 49 55.052 -5.567 -1.644 317 2HG2 THR 49 2HG2 THR 49 55.000 -5.523 -3.408 318 3HG2 THR 49 3HG2 THR 49 55.937 -4.320 -2.524 319 H GLN 50 H GLN 50 60.043 -5.700 -0.410 320 HA GLN 50 HA GLN 50 60.644 -3.225 -1.620 321 1HB GLN 50 2HB GLN 50 60.556 -1.765 0.330 322 2HB GLN 50 1HB GLN 50 58.958 -2.388 -0.043 323 1HG GLN 50 2HG GLN 50 59.104 -3.962 1.767 324 2HG GLN 50 1HG GLN 50 60.766 -3.475 2.093 325 1HE2 GLN 50 1HE2 GLN 50 58.303 -1.185 1.197 326 2HE2 GLN 50 2HE2 GLN 50 58.188 -0.412 2.737 327 H PHE 51 H PHE 51 62.432 -2.142 0.144 328 HA PHE 51 HA PHE 51 64.204 -4.301 1.030 329 1HB PHE 51 2HB PHE 51 64.785 -3.778 -1.347 330 2HB PHE 51 1HB PHE 51 65.097 -2.114 -0.874 331 HD1 PHE 51 HD1 PHE 51 66.213 -5.606 -0.336 332 HD2 PHE 51 HD2 PHE 51 67.203 -1.479 -0.058 333 HE1 PHE 51 HE1 PHE 51 68.545 -6.198 0.166 334 HE2 PHE 51 HE2 PHE 51 69.520 -2.059 0.461 335 HZ PHE 51 HZ PHE 51 70.205 -4.421 0.574 336 H THR 52 H THR 52 65.987 -3.429 2.428 337 HA THR 52 HA THR 52 65.055 -0.995 3.784 338 HB THR 52 HB THR 52 66.818 -3.180 4.914 339 HG1 THR 52 HG1 THR 52 64.091 -2.723 5.558 340 1HG2 THR 52 1HG2 THR 52 66.283 -2.159 7.064 341 2HG2 THR 52 2HG2 THR 52 65.312 -0.931 6.254 342 3HG2 THR 52 3HG2 THR 52 67.057 -0.986 6.000 343 H CYS 53 H CYS 53 66.164 0.728 3.134 344 HA CYS 53 HA CYS 53 68.835 0.686 2.198 345 1HB CYS 53 2HB CYS 53 67.139 2.395 1.589 346 2HB CYS 53 1HB CYS 53 67.283 3.045 3.219 347 H ASN 54 H ASN 54 70.758 1.292 3.171 348 HA ASN 54 HA ASN 54 70.924 0.724 5.972 349 1HB ASN 54 2HB ASN 54 72.959 1.520 3.904 350 2HB ASN 54 1HB ASN 54 73.383 1.445 5.610 351 1HD2 ASN 54 1HD2 ASN 54 71.073 -0.723 4.129 352 2HD2 ASN 54 2HD2 ASN 54 72.049 -2.142 4.238 353 H ASN 55 H ASN 55 70.245 3.504 4.224 354 HA ASN 55 HA ASN 55 71.224 5.512 5.912 355 1HB ASN 55 2HB ASN 55 70.209 5.788 3.614 356 2HB ASN 55 1HB ASN 55 68.634 5.528 4.346 357 1HD2 ASN 55 1HD2 ASN 55 71.348 7.684 4.040 358 2HD2 ASN 55 2HD2 ASN 55 70.549 9.080 4.702 359 H GLY 56 H GLY 56 69.083 3.035 6.515 360 1HA GLY 56 2HA GLY 56 68.091 2.640 8.633 361 2HA GLY 56 1HA GLY 56 67.998 4.382 8.883 362 H ARG 57 H ARG 57 67.140 4.075 5.818 363 HA ARG 57 HA ARG 57 64.303 4.267 6.509 364 1HB ARG 57 2HB ARG 57 64.053 5.446 4.465 365 2HB ARG 57 1HB ARG 57 65.569 6.021 5.151 366 1HG ARG 57 2HG ARG 57 66.679 4.230 3.717 367 2HG ARG 57 1HG ARG 57 65.143 4.162 2.855 368 1HD ARG 57 2HD ARG 57 66.774 6.641 3.285 369 2HD ARG 57 1HD ARG 57 66.806 5.662 1.818 370 HE ARG 57 HE ARG 57 64.152 6.458 2.466 371 1HH1 ARG 57 1HH1 ARG 57 67.144 7.647 1.086 372 2HH1 ARG 57 2HH1 ARG 57 66.365 8.848 0.111 373 1HH2 ARG 57 1HH2 ARG 57 63.119 8.041 1.174 374 2HH2 ARG 57 2HH2 ARG 57 64.074 9.075 0.165 375 H CYS 58 H CYS 58 62.741 3.157 5.088 376 HA CYS 58 HA CYS 58 63.903 0.776 3.827 377 1HB CYS 58 2HB CYS 58 61.165 1.246 5.007 378 2HB CYS 58 1HB CYS 58 61.530 -0.133 3.969 379 H ILE 59 H ILE 59 63.570 0.387 1.718 380 HA ILE 59 HA ILE 59 62.339 2.597 0.218 381 HB ILE 59 HB ILE 59 64.004 2.158 -1.555 382 1HG1 ILE 59 2HG1 ILE 59 65.316 0.359 0.492 383 2HG1 ILE 59 1HG1 ILE 59 64.402 -0.224 -0.892 384 1HG2 ILE 59 1HG2 ILE 59 65.952 3.110 -0.369 385 2HG2 ILE 59 2HG2 ILE 59 65.133 2.798 1.163 386 3HG2 ILE 59 3HG2 ILE 59 64.439 3.934 0.007 387 1HD1 ILE 59 1HD1 ILE 59 66.781 -0.319 -1.319 388 2HD1 ILE 59 2HD1 ILE 59 66.916 1.409 -1.001 389 3HD1 ILE 59 3HD1 ILE 59 66.001 0.838 -2.398 390 H ASN 60 H ASN 60 61.956 1.811 -2.182 391 HA ASN 60 HA ASN 60 60.277 -0.538 -1.972 392 1HB ASN 60 2HB ASN 60 59.560 1.567 -3.158 393 2HB ASN 60 1HB ASN 60 60.746 1.189 -4.406 394 1HD2 ASN 60 1HD2 ASN 60 57.726 0.264 -2.935 395 2HD2 ASN 60 2HD2 ASN 60 57.223 -0.812 -4.190 396 H ILE 61 H ILE 61 60.413 -2.343 -3.448 397 HA ILE 61 HA ILE 61 63.132 -3.257 -3.599 398 HB ILE 61 HB ILE 61 61.142 -4.636 -2.856 399 1HG1 ILE 61 2HG1 ILE 61 62.887 -5.796 -5.044 400 2HG1 ILE 61 1HG1 ILE 61 63.364 -5.598 -3.360 401 1HG2 ILE 61 1HG2 ILE 61 59.611 -4.040 -4.639 402 2HG2 ILE 61 2HG2 ILE 61 59.869 -5.784 -4.603 403 3HG2 ILE 61 3HG2 ILE 61 60.670 -4.800 -5.828 404 1HD1 ILE 61 1HD1 ILE 61 61.135 -7.351 -4.364 405 2HD1 ILE 61 2HD1 ILE 61 61.615 -7.149 -2.681 406 3HD1 ILE 61 3HD1 ILE 61 62.728 -7.888 -3.831 407 H ASN 62 H ASN 62 61.518 -1.346 -5.676 408 HA ASN 62 HA ASN 62 62.278 -2.760 -8.122 409 1HB ASN 62 2HB ASN 62 60.052 -1.376 -7.595 410 2HB ASN 62 1HB ASN 62 61.040 -0.052 -8.202 411 1HD2 ASN 62 1HD2 ASN 62 58.650 -1.241 -9.335 412 2HD2 ASN 62 2HD2 ASN 62 59.086 -1.778 -10.916 413 H TRP 63 H TRP 63 64.225 -1.512 -6.209 414 HA TRP 63 HA TRP 63 65.426 0.499 -8.003 415 1HB TRP 63 2HB TRP 63 65.804 0.059 -5.036 416 2HB TRP 63 1HB TRP 63 66.769 1.180 -5.988 417 HD1 TRP 63 HD1 TRP 63 63.239 1.246 -7.140 418 HE1 TRP 63 HE1 TRP 63 62.034 3.321 -6.219 419 HE3 TRP 63 HE3 TRP 63 66.683 2.703 -3.664 420 HZ2 TRP 63 HZ2 TRP 63 62.482 5.309 -4.275 421 HZ3 TRP 63 HZ3 TRP 63 66.220 4.706 -2.317 422 HH2 TRP 63 HH2 TRP 63 64.163 5.982 -2.617 423 H ARG 64 H ARG 64 65.510 -2.626 -7.489 424 HA ARG 64 HA ARG 64 68.197 -3.392 -7.462 425 1HB ARG 64 2HB ARG 64 66.023 -4.606 -9.183 426 2HB ARG 64 1HB ARG 64 67.494 -5.395 -8.637 427 1HG ARG 64 2HG ARG 64 65.351 -4.428 -6.765 428 2HG ARG 64 1HG ARG 64 65.380 -6.049 -7.457 429 1HD ARG 64 2HD ARG 64 67.544 -4.819 -5.743 430 2HD ARG 64 1HD ARG 64 66.354 -6.007 -5.208 431 HE ARG 64 HE ARG 64 68.202 -6.665 -7.393 432 1HH1 ARG 64 1HH1 ARG 64 66.934 -7.256 -4.195 433 2HH1 ARG 64 2HH1 ARG 64 67.944 -8.631 -3.900 434 1HH2 ARG 64 1HH2 ARG 64 69.529 -8.510 -7.035 435 2HH2 ARG 64 2HH2 ARG 64 69.394 -9.367 -5.533 436 H CYS 65 H CYS 65 69.528 -1.993 -8.624 437 HA CYS 65 HA CYS 65 68.791 -1.109 -11.253 438 1HB CYS 65 2HB CYS 65 70.081 0.319 -9.649 439 2HB CYS 65 1HB CYS 65 71.448 -0.772 -9.848 440 H ASP 66 H ASP 66 71.057 -3.355 -9.885 441 HA ASP 66 HA ASP 66 71.401 -4.716 -12.399 442 1HB ASP 66 2HB ASP 66 73.886 -4.432 -12.403 443 2HB ASP 66 1HB ASP 66 73.009 -2.944 -12.732 444 H ASN 67 H ASN 67 73.056 -4.352 -9.245 445 HA ASN 67 HA ASN 67 73.286 -7.220 -9.038 446 1HB ASN 67 2HB ASN 67 75.174 -5.806 -8.346 447 2HB ASN 67 1HB ASN 67 74.158 -5.060 -7.118 448 1HD2 ASN 67 1HD2 ASN 67 74.715 -5.741 -5.189 449 2HD2 ASN 67 2HD2 ASN 67 75.113 -7.377 -4.771 450 H ASP 68 H ASP 68 72.455 -4.920 -6.503 451 HA ASP 68 HA ASP 68 70.049 -6.519 -5.931 452 1HB ASP 68 2HB ASP 68 72.072 -6.750 -4.306 453 2HB ASP 68 1HB ASP 68 71.615 -5.143 -3.757 454 H ASN 69 H ASN 69 69.762 -4.339 -3.651 455 HA ASN 69 HA ASN 69 68.163 -2.702 -5.498 456 1HB ASN 69 2HB ASN 69 67.210 -4.242 -3.591 457 2HB ASN 69 1HB ASN 69 67.573 -2.847 -2.580 458 1HD2 ASN 69 1HD2 ASN 69 66.400 -0.977 -2.842 459 2HD2 ASN 69 2HD2 ASN 69 64.934 -0.921 -3.760 460 H ASP 70 H ASP 70 68.439 -0.651 -5.679 461 HA ASP 70 HA ASP 70 70.727 0.666 -4.727 462 1HB ASP 70 2HB ASP 70 69.082 0.943 -6.818 463 2HB ASP 70 1HB ASP 70 68.445 2.226 -5.791 464 H CYS 71 H CYS 71 69.859 3.300 -4.376 465 HA CYS 71 HA CYS 71 67.787 3.853 -2.641 466 1HB CYS 71 2HB CYS 71 68.992 2.391 -1.009 467 2HB CYS 71 1HB CYS 71 70.348 3.513 -1.064 468 H GLY 72 H GLY 72 71.067 4.539 -3.617 469 1HA GLY 72 2HA GLY 72 71.964 6.596 -4.249 470 2HA GLY 72 1HA GLY 72 70.523 7.396 -3.635 471 H ASP 73 H ASP 73 71.618 5.174 -1.450 472 HA ASP 73 HA ASP 73 73.158 7.169 0.059 473 1HB ASP 73 2HB ASP 73 71.052 6.911 1.162 474 2HB ASP 73 1HB ASP 73 71.102 5.162 0.998 475 H ASN 74 H ASN 74 72.468 3.733 0.554 476 HA ASN 74 HA ASN 74 74.893 2.669 -0.308 477 1HB ASN 74 2HB ASN 74 75.724 4.091 1.647 478 2HB ASN 74 1HB ASN 74 74.853 2.986 2.699 479 1HD2 ASN 74 1HD2 ASN 74 75.584 0.843 2.904 480 2HD2 ASN 74 2HD2 ASN 74 77.188 0.390 2.445 481 H SER 75 H SER 75 72.632 1.616 -0.825 482 HA SER 75 HA SER 75 71.851 -0.281 1.232 483 1HB SER 75 2HB SER 75 70.681 0.443 -1.427 484 2HB SER 75 1HB SER 75 70.092 -0.923 -0.478 485 HG SER 75 HG SER 75 68.951 1.073 -0.152 486 H ASP 76 H ASP 76 71.548 -1.146 -2.063 487 HA ASP 76 HA ASP 76 72.727 -3.633 -1.950 488 1HB ASP 76 2HB ASP 76 71.376 -3.066 -3.821 489 2HB ASP 76 1HB ASP 76 72.380 -1.678 -4.219 490 H GLU 77 H GLU 77 74.049 -0.719 -3.373 491 HA GLU 77 HA GLU 77 76.717 -1.456 -2.459 492 1HB GLU 77 2HB GLU 77 77.273 -0.046 -4.715 493 2HB GLU 77 1HB GLU 77 77.224 -1.800 -4.633 494 1HG GLU 77 2HG GLU 77 75.997 -1.063 -6.552 495 2HG GLU 77 1HG GLU 77 74.870 -1.740 -5.382 496 H ALA 78 H ALA 78 74.733 1.116 -3.743 497 HA ALA 78 HA ALA 78 74.809 2.839 -1.585 498 1HB ALA 78 1HB ALA 78 76.928 3.543 -3.615 499 2HB ALA 78 2HB ALA 78 77.211 3.058 -1.944 500 3HB ALA 78 3HB ALA 78 76.389 4.577 -2.293 501 H GLY 79 H GLY 79 75.286 3.038 -5.105 502 1HA GLY 79 2HA GLY 79 72.705 4.021 -5.665 503 2HA GLY 79 1HA GLY 79 73.827 5.369 -5.547 504 H CYS 80 H CYS 80 72.708 2.752 -7.433 505 HA CYS 80 HA CYS 80 74.850 2.669 -9.336 506 1HB CYS 80 2HB CYS 80 73.508 0.711 -9.045 507 2HB CYS 80 1HB CYS 80 72.021 1.614 -9.302 508 H SER 81 H SER 81 72.435 4.886 -8.700 509 HA SER 81 HA SER 81 72.123 5.750 -11.470 510 1HB SER 81 2HB SER 81 70.875 6.854 -8.944 511 2HB SER 81 1HB SER 81 70.426 7.263 -10.602 512 HG SER 81 HG SER 81 70.385 4.586 -9.741 513 H HIS 82 HN HIS 82 73.923 6.755 -12.116 514 HA HIS 82 HA HIS 82 75.317 8.496 -12.502 515 1HB HIS 82 2HB HIS 82 73.778 9.826 -10.270 516 2HB HIS 82 1HB HIS 82 75.071 10.615 -11.166 517 HD1 HIS 82 HD1 HIS 82 74.580 11.016 -13.786 518 HD2 HIS 82 HD2 HIS 82 71.333 9.845 -11.464 519 HE1 HIS 82 HE1 HIS 82 72.505 11.560 -15.131 Start of MODEL 6 1 1H SER 1 1HT SER 1 27.670 -4.435 5.499 2 2H SER 1 2HT SER 1 27.324 -5.862 4.661 3 3H SER 1 3HT SER 1 27.490 -4.407 3.821 4 HA SER 1 HA SER 1 29.650 -5.730 5.340 5 1HB SER 1 2HB SER 1 29.277 -5.560 2.338 6 2HB SER 1 1HB SER 1 30.533 -6.441 3.207 7 HG SER 1 HG SER 1 29.138 -8.017 2.953 8 H ALA 2 H ALA 2 31.798 -4.832 4.621 9 HA ALA 2 HA ALA 2 31.566 -1.909 4.420 10 1HB ALA 2 1HB ALA 2 33.837 -1.842 5.310 11 2HB ALA 2 2HB ALA 2 33.915 -3.605 5.266 12 3HB ALA 2 3HB ALA 2 32.782 -2.800 6.351 13 H ARG 3 H ARG 3 33.684 -0.965 3.338 14 HA ARG 3 HA ARG 3 34.512 -2.465 0.996 15 1HB ARG 3 2HB ARG 3 33.812 -0.876 -0.622 16 2HB ARG 3 1HB ARG 3 32.406 -1.208 0.365 17 1HG ARG 3 2HG ARG 3 34.162 1.221 0.685 18 2HG ARG 3 1HG ARG 3 32.685 1.178 -0.270 19 1HD ARG 3 2HD ARG 3 31.887 2.034 1.699 20 2HD ARG 3 1HD ARG 3 31.642 0.311 1.986 21 HE ARG 3 HE ARG 3 34.202 1.116 2.899 22 1HH1 ARG 3 1HH1 ARG 3 30.804 1.328 3.734 23 2HH1 ARG 3 2HH1 ARG 3 31.101 1.494 5.433 24 1HH2 ARG 3 1HH2 ARG 3 34.593 1.324 5.135 25 2HH2 ARG 3 2HH2 ARG 3 33.261 1.489 6.232 26 H THR 4 H THR 4 36.544 -1.939 0.331 27 HA THR 4 HA THR 4 37.775 0.506 1.319 28 HB THR 4 HB THR 4 39.839 -0.919 1.950 29 HG1 THR 4 HG1 THR 4 39.262 -3.021 2.694 30 1HG2 THR 4 1HG2 THR 4 38.546 0.361 3.581 31 2HG2 THR 4 2HG2 THR 4 39.039 -1.196 4.249 32 3HG2 THR 4 3HG2 THR 4 37.381 -0.960 3.702 33 H CYS 5 H CYS 5 39.337 -2.357 0.121 34 HA CYS 5 HA CYS 5 39.781 -1.320 -2.535 35 1HB CYS 5 2HB CYS 5 41.408 -0.170 -0.821 36 2HB CYS 5 1HB CYS 5 42.227 -1.729 -0.826 37 HA PRO 6 HA PRO 6 39.995 -5.665 -3.342 38 1HB PRO 6 2HB PRO 6 42.326 -5.264 -5.122 39 2HB PRO 6 1HB PRO 6 40.732 -5.925 -5.491 40 1HG PRO 6 2HG PRO 6 41.440 -3.499 -6.328 41 2HG PRO 6 1HG PRO 6 39.784 -3.829 -5.769 42 1HD PRO 6 2HD PRO 6 42.047 -2.486 -4.334 43 2HD PRO 6 1HD PRO 6 40.327 -2.040 -4.382 44 HA PRO 7 HA PRO 7 43.082 -7.860 -1.025 45 1HB PRO 7 2HB PRO 7 43.894 -9.817 -2.846 46 2HB PRO 7 1HB PRO 7 42.520 -9.945 -1.746 47 1HG PRO 7 2HG PRO 7 42.574 -9.205 -4.632 48 2HG PRO 7 1HG PRO 7 41.379 -10.163 -3.737 49 1HD PRO 7 2HD PRO 7 40.889 -7.619 -4.427 50 2HD PRO 7 1HD PRO 7 40.332 -8.278 -2.876 51 H ASN 8 H ASN 8 45.176 -7.506 -0.608 52 HA ASN 8 HA ASN 8 47.362 -6.927 -0.807 53 1HB ASN 8 2HB ASN 8 47.264 -8.672 -2.711 54 2HB ASN 8 1HB ASN 8 47.227 -7.286 -3.795 55 1HD2 ASN 8 1HD2 ASN 8 49.075 -6.036 -4.042 56 2HD2 ASN 8 2HD2 ASN 8 50.615 -6.537 -3.446 57 H GLN 9 H GLN 9 44.961 -5.147 -1.385 58 HA GLN 9 HA GLN 9 46.491 -2.867 -2.405 59 1HB GLN 9 2HB GLN 9 44.025 -3.969 -3.451 60 2HB GLN 9 1HB GLN 9 43.802 -2.312 -2.920 61 1HG GLN 9 2HG GLN 9 44.376 -2.218 -5.201 62 2HG GLN 9 1HG GLN 9 45.787 -1.682 -4.295 63 1HE2 GLN 9 1HE2 GLN 9 44.854 -5.015 -4.533 64 2HE2 GLN 9 2HE2 GLN 9 46.163 -5.521 -5.517 65 H PHE 10 H PHE 10 46.072 -0.924 -1.473 66 HA PHE 10 HA PHE 10 44.371 -0.938 0.919 67 1HB PHE 10 2HB PHE 10 46.647 -1.091 1.683 68 2HB PHE 10 1HB PHE 10 47.156 0.180 0.578 69 HD1 PHE 10 HD1 PHE 10 47.360 2.320 1.340 70 HD2 PHE 10 HD2 PHE 10 44.855 -0.394 3.461 71 HE1 PHE 10 HE1 PHE 10 47.011 3.999 3.101 72 HE2 PHE 10 HE2 PHE 10 44.501 1.295 5.222 73 HZ PHE 10 HZ PHE 10 45.592 3.508 5.035 74 H SER 11 H SER 11 43.194 0.903 1.217 75 HA SER 11 HA SER 11 43.046 2.616 -1.119 76 1HB SER 11 2HB SER 11 41.041 1.280 -0.722 77 2HB SER 11 1HB SER 11 40.945 1.880 0.931 78 HG SER 11 HG SER 11 40.547 3.312 -1.482 79 H CYS 12 H CYS 12 43.846 4.602 -0.854 80 HA CYS 12 HA CYS 12 44.170 5.896 1.608 81 1HB CYS 12 2HB CYS 12 43.821 7.148 -1.128 82 2HB CYS 12 1HB CYS 12 44.260 8.040 0.320 83 H ALA 13 H ALA 13 42.875 7.195 2.771 84 HA ALA 13 HA ALA 13 40.536 6.481 3.522 85 1HB ALA 13 1HB ALA 13 41.103 9.392 3.062 86 2HB ALA 13 2HB ALA 13 41.667 8.430 4.431 87 3HB ALA 13 3HB ALA 13 39.941 8.730 4.219 88 H SER 14 H SER 14 39.187 5.536 2.142 89 HA SER 14 HA SER 14 37.482 5.244 0.693 90 1HB SER 14 2HB SER 14 36.592 7.887 1.856 91 2HB SER 14 1HB SER 14 35.558 6.644 1.146 92 HG SER 14 HG SER 14 36.942 6.633 3.588 93 H GLY 15 H GLY 15 38.810 5.486 -1.197 94 1HA GLY 15 2HA GLY 15 37.488 6.600 -3.245 95 2HA GLY 15 1HA GLY 15 38.445 7.959 -2.681 96 H ARG 16 H ARG 16 40.793 6.507 -1.979 97 HA ARG 16 HA ARG 16 41.807 6.175 -4.697 98 1HB ARG 16 2HB ARG 16 43.326 6.441 -2.092 99 2HB ARG 16 1HB ARG 16 44.028 6.442 -3.703 100 1HG ARG 16 2HG ARG 16 43.984 8.692 -3.073 101 2HG ARG 16 1HG ARG 16 42.600 8.508 -4.148 102 1HD ARG 16 2HD ARG 16 41.146 8.274 -2.129 103 2HD ARG 16 1HD ARG 16 42.550 8.618 -1.119 104 HE ARG 16 HE ARG 16 42.464 10.724 -2.827 105 1HH1 ARG 16 1HH1 ARG 16 40.126 9.264 -0.664 106 2HH1 ARG 16 2HH1 ARG 16 39.260 10.737 -0.399 107 1HH2 ARG 16 1HH2 ARG 16 41.326 12.682 -2.457 108 2HH2 ARG 16 2HH2 ARG 16 39.937 12.684 -1.421 109 H CYS 17 H CYS 17 43.873 4.492 -4.515 110 HA CYS 17 HA CYS 17 43.407 2.147 -3.023 111 1HB CYS 17 2HB CYS 17 41.833 2.418 -5.433 112 2HB CYS 17 1HB CYS 17 42.935 1.051 -5.564 113 H ILE 18 H ILE 18 45.560 2.091 -2.699 114 HA ILE 18 HA ILE 18 47.300 1.851 -5.064 115 HB ILE 18 HB ILE 18 48.996 2.924 -3.887 116 1HG1 ILE 18 2HG1 ILE 18 47.585 2.252 -1.296 117 2HG1 ILE 18 1HG1 ILE 18 48.940 1.347 -1.971 118 1HG2 ILE 18 1HG2 ILE 18 46.527 4.037 -2.537 119 2HG2 ILE 18 2HG2 ILE 18 47.069 4.463 -4.164 120 3HG2 ILE 18 3HG2 ILE 18 48.066 4.872 -2.766 121 1HD1 ILE 18 1HD1 ILE 18 50.362 3.310 -1.765 122 2HD1 ILE 18 2HD1 ILE 18 49.670 2.845 -0.209 123 3HD1 ILE 18 3HD1 ILE 18 49.007 4.217 -1.096 124 HA PRO 19 HA PRO 19 48.090 -2.342 -3.710 125 1HB PRO 19 2HB PRO 19 50.904 -2.032 -4.520 126 2HB PRO 19 1HB PRO 19 49.667 -3.119 -5.161 127 1HG PRO 19 2HG PRO 19 50.570 -1.005 -6.566 128 2HG PRO 19 1HG PRO 19 48.888 -1.557 -6.672 129 1HD PRO 19 2HD PRO 19 50.032 0.755 -5.152 130 2HD PRO 19 1HD PRO 19 48.516 0.650 -6.074 131 H ILE 20 H ILE 20 48.863 -3.343 -1.844 132 HA ILE 20 HA ILE 20 50.005 -1.595 0.131 133 HB ILE 20 HB ILE 20 49.647 -4.537 0.472 134 1HG1 ILE 20 2HG1 ILE 20 47.602 -2.340 0.778 135 2HG1 ILE 20 1HG1 ILE 20 47.526 -3.704 -0.329 136 1HG2 ILE 20 1HG2 ILE 20 49.348 -3.905 2.840 137 2HG2 ILE 20 2HG2 ILE 20 49.646 -2.223 2.402 138 3HG2 ILE 20 3HG2 ILE 20 50.921 -3.423 2.205 139 1HD1 ILE 20 1HD1 ILE 20 47.390 -3.838 2.668 140 2HD1 ILE 20 2HD1 ILE 20 47.351 -5.226 1.578 141 3HD1 ILE 20 3HD1 ILE 20 46.045 -4.037 1.544 142 H SER 21 H SER 21 51.867 -1.384 -1.453 143 HA SER 21 HA SER 21 54.075 -2.774 -0.155 144 1HB SER 21 2HB SER 21 53.756 -4.018 -2.268 145 2HB SER 21 1HB SER 21 53.790 -2.506 -3.172 146 HG SER 21 HG SER 21 55.982 -2.425 -1.841 147 H TRP 22 H TRP 22 52.467 -0.183 -0.609 148 HA TRP 22 HA TRP 22 54.651 1.561 -1.547 149 1HB TRP 22 2HB TRP 22 51.667 1.970 -1.627 150 2HB TRP 22 1HB TRP 22 52.838 3.203 -2.081 151 HD1 TRP 22 HD1 TRP 22 52.612 -0.538 -3.083 152 HE1 TRP 22 HE1 TRP 22 52.688 -0.669 -5.636 153 HE3 TRP 22 HE3 TRP 22 52.777 4.444 -4.139 154 HZ2 TRP 22 HZ2 TRP 22 52.809 1.097 -7.836 155 HZ3 TRP 22 HZ3 TRP 22 52.874 5.148 -6.500 156 HH2 TRP 22 HH2 TRP 22 52.887 3.505 -8.310 157 H THR 23 H THR 23 52.334 1.115 0.985 158 HA THR 23 HA THR 23 52.453 3.623 2.187 159 HB THR 23 HB THR 23 51.541 2.537 4.195 160 HG1 THR 23 HG1 THR 23 52.660 0.608 4.279 161 1HG2 THR 23 1HG2 THR 23 50.064 2.995 2.255 162 2HG2 THR 23 2HG2 THR 23 49.542 1.599 3.196 163 3HG2 THR 23 3HG2 THR 23 50.380 1.361 1.664 164 H CYS 24 H CYS 24 54.638 0.996 2.329 165 HA CYS 24 HA CYS 24 56.169 2.193 4.460 166 1HB CYS 24 2HB CYS 24 55.479 -0.344 4.241 167 2HB CYS 24 1HB CYS 24 56.942 -0.417 3.259 168 H ASP 25 H ASP 25 56.075 2.985 1.421 169 HA ASP 25 HA ASP 25 58.641 2.170 0.372 170 1HB ASP 25 2HB ASP 25 56.445 3.952 -0.597 171 2HB ASP 25 1HB ASP 25 58.033 4.092 -1.335 172 H LEU 26 H LEU 26 57.422 4.909 2.098 173 HA LEU 26 HA LEU 26 58.306 6.862 2.806 174 1HB LEU 26 2HB LEU 26 60.939 5.617 1.966 175 2HB LEU 26 1HB LEU 26 60.815 7.202 2.703 176 HG LEU 26 HG LEU 26 59.973 4.604 3.994 177 1HD1 LEU 26 1HD1 LEU 26 62.345 6.398 4.491 178 2HD1 LEU 26 2HD1 LEU 26 62.380 4.780 3.791 179 3HD1 LEU 26 3HD1 LEU 26 61.892 5.002 5.471 180 1HD2 LEU 26 1HD2 LEU 26 59.732 5.978 6.024 181 2HD2 LEU 26 2HD2 LEU 26 58.597 6.447 4.758 182 3HD2 LEU 26 3HD2 LEU 26 60.032 7.426 5.061 183 H ASP 27 H ASP 27 57.417 6.237 0.057 184 HA ASP 27 HA ASP 27 58.684 8.502 -1.345 185 1HB ASP 27 2HB ASP 27 58.996 6.079 -2.297 186 2HB ASP 27 1HB ASP 27 57.331 6.271 -2.837 187 H ASP 28 H ASP 28 57.005 9.070 -3.304 188 HA ASP 28 HA ASP 28 55.080 10.521 -1.764 189 1HB ASP 28 2HB ASP 28 56.356 11.530 -3.610 190 2HB ASP 28 1HB ASP 28 55.541 10.469 -4.751 191 H ASP 29 H ASP 29 53.511 9.069 -1.007 192 HA ASP 29 HA ASP 29 51.469 8.529 -3.045 193 1HB ASP 29 2HB ASP 29 52.761 6.467 -2.034 194 2HB ASP 29 1HB ASP 29 51.741 6.764 -0.629 195 H CYS 30 H CYS 30 49.588 7.587 -1.027 196 HA CYS 30 HA CYS 30 49.445 9.866 0.812 197 1HB CYS 30 2HB CYS 30 46.876 9.548 0.666 198 2HB CYS 30 1HB CYS 30 47.695 10.477 -0.578 199 H GLY 31 H GLY 31 48.632 6.525 0.105 200 1HA GLY 31 2HA GLY 31 47.927 4.784 1.418 201 2HA GLY 31 1HA GLY 31 48.871 5.535 2.701 202 H ASP 32 H ASP 32 47.868 7.245 3.887 203 HA ASP 32 HA ASP 32 44.990 7.561 3.692 204 1HB ASP 32 2HB ASP 32 45.150 5.674 5.282 205 2HB ASP 32 1HB ASP 32 46.253 6.612 6.285 206 H ARG 33 H ARG 33 46.437 9.402 2.876 207 HA ARG 33 HA ARG 33 47.096 11.570 3.061 208 1HB ARG 33 2HB ARG 33 45.589 12.576 4.403 209 2HB ARG 33 1HB ARG 33 45.483 11.169 5.453 210 1HG ARG 33 2HG ARG 33 47.889 12.134 6.176 211 2HG ARG 33 1HG ARG 33 47.059 13.629 5.741 212 1HD ARG 33 2HD ARG 33 46.832 12.981 8.149 213 2HD ARG 33 1HD ARG 33 45.296 13.184 7.306 214 HE ARG 33 HE ARG 33 45.254 10.710 7.105 215 1HH1 ARG 33 1HH1 ARG 33 47.257 12.164 9.568 216 2HH1 ARG 33 2HH1 ARG 33 47.189 10.789 10.616 217 1HH2 ARG 33 1HH2 ARG 33 45.166 8.876 8.444 218 2HH2 ARG 33 2HH2 ARG 33 45.996 8.911 9.975 219 H SER 34 H SER 34 47.997 9.479 5.758 220 HA SER 34 HA SER 34 50.790 10.190 5.311 221 1HB SER 34 2HB SER 34 49.550 10.084 8.078 222 2HB SER 34 1HB SER 34 51.235 10.436 7.692 223 HG SER 34 HG SER 34 50.013 12.162 6.291 224 H ASP 35 H ASP 35 50.603 8.137 4.203 225 HA ASP 35 HA ASP 35 50.133 5.717 5.679 226 1HB ASP 35 2HB ASP 35 51.053 4.601 3.647 227 2HB ASP 35 1HB ASP 35 49.735 5.717 3.296 228 H GLU 36 H GLU 36 52.684 7.858 5.422 229 HA GLU 36 HA GLU 36 54.703 5.810 5.968 230 1HB GLU 36 2HB GLU 36 54.982 8.713 5.172 231 2HB GLU 36 1HB GLU 36 56.342 7.672 5.566 232 1HG GLU 36 2HG GLU 36 54.387 7.203 3.325 233 2HG GLU 36 1HG GLU 36 55.991 7.912 3.150 234 H SER 37 H SER 37 53.391 5.770 8.018 235 HA SER 37 HA SER 37 55.049 6.560 10.097 236 1HB SER 37 2HB SER 37 53.389 8.125 11.277 237 2HB SER 37 1HB SER 37 54.279 8.808 9.919 238 HG SER 37 HG SER 37 52.490 9.005 8.823 239 H ALA 38 H ALA 38 51.502 6.366 9.773 240 HA ALA 38 HA ALA 38 51.532 4.378 11.934 241 1HB ALA 38 1HB ALA 38 49.208 4.999 12.316 242 2HB ALA 38 2HB ALA 38 49.266 6.089 10.930 243 3HB ALA 38 3HB ALA 38 50.259 6.413 12.352 244 H SER 39 H SER 39 51.731 4.050 8.795 245 HA SER 39 HA SER 39 49.537 2.114 8.594 246 1HB SER 39 2HB SER 39 51.155 3.338 6.358 247 2HB SER 39 1HB SER 39 49.776 2.256 6.173 248 HG SER 39 HG SER 39 48.510 3.858 7.254 249 H CYS 40 H CYS 40 53.055 2.414 7.957 250 HA CYS 40 HA CYS 40 53.155 -0.452 7.486 251 1HB CYS 40 2HB CYS 40 54.549 0.941 6.064 252 2HB CYS 40 1HB CYS 40 55.377 1.602 7.471 253 H ALA 41 H ALA 41 53.882 1.811 10.031 254 HA ALA 41 HA ALA 41 54.507 1.584 12.194 255 1HB ALA 41 1HB ALA 41 54.174 -1.384 11.790 256 2HB ALA 41 2HB ALA 41 52.903 -0.272 12.295 257 3HB ALA 41 3HB ALA 41 54.297 -0.548 13.338 258 H TYR 42 H TYR 42 56.069 -0.360 9.845 259 HA TYR 42 HA TYR 42 58.216 -0.747 9.311 260 1HB TYR 42 2HB TYR 42 58.935 1.442 11.248 261 2HB TYR 42 1HB TYR 42 59.879 0.874 9.878 262 HD1 TYR 42 HD1 TYR 42 58.795 1.186 7.525 263 HD2 TYR 42 HD2 TYR 42 57.530 3.254 11.018 264 HE1 TYR 42 HE1 TYR 42 57.741 2.921 6.102 265 HE2 TYR 42 HE2 TYR 42 56.490 4.985 9.628 266 HH TYR 42 HH TYR 42 56.508 4.790 6.086 267 HA PRO 43 HA PRO 43 59.191 -3.173 13.185 268 1HB PRO 43 2HB PRO 43 58.681 -5.479 11.455 269 2HB PRO 43 1HB PRO 43 58.035 -5.138 13.061 270 1HG PRO 43 2HG PRO 43 56.501 -5.062 10.841 271 2HG PRO 43 1HG PRO 43 56.211 -4.001 12.232 272 1HD PRO 43 2HD PRO 43 57.557 -3.397 9.627 273 2HD PRO 43 1HD PRO 43 56.426 -2.399 10.568 274 H THR 44 H THR 44 59.715 -3.395 9.776 275 HA THR 44 HA THR 44 62.580 -3.328 10.133 276 HB THR 44 HB THR 44 61.428 -5.510 8.393 277 HG1 THR 44 HG1 THR 44 61.898 -5.504 11.158 278 1HG2 THR 44 1HG2 THR 44 63.705 -4.647 8.002 279 2HG2 THR 44 2HG2 THR 44 63.666 -6.358 8.431 280 3HG2 THR 44 3HG2 THR 44 64.140 -5.152 9.632 281 H CYS 45 H CYS 45 60.200 -1.890 9.049 282 HA CYS 45 HA CYS 45 59.276 -0.870 7.252 283 1HB CYS 45 2HB CYS 45 62.107 -1.057 6.207 284 2HB CYS 45 1HB CYS 45 60.827 -0.107 5.453 285 H PHE 46 H PHE 46 59.637 -3.894 7.360 286 HA PHE 46 HA PHE 46 58.717 -4.351 4.639 287 1HB PHE 46 2HB PHE 46 61.006 -4.946 4.425 288 2HB PHE 46 1HB PHE 46 61.002 -5.816 5.955 289 HD1 PHE 46 HD1 PHE 46 58.375 -6.083 3.408 290 HD2 PHE 46 HD2 PHE 46 61.806 -7.892 5.133 291 HE1 PHE 46 HE1 PHE 46 57.833 -8.157 2.246 292 HE2 PHE 46 HE2 PHE 46 61.298 -9.993 3.952 293 HZ PHE 46 HZ PHE 46 59.303 -10.136 2.503 294 HA PRO 47 HA PRO 47 56.059 -7.078 6.998 295 1HB PRO 47 2HB PRO 47 53.804 -5.614 7.020 296 2HB PRO 47 1HB PRO 47 55.074 -5.374 8.224 297 1HG PRO 47 2HG PRO 47 54.260 -3.632 6.012 298 2HG PRO 47 1HG PRO 47 55.224 -3.248 7.445 299 1HD PRO 47 2HD PRO 47 56.128 -3.892 4.745 300 2HD PRO 47 1HD PRO 47 57.065 -3.260 6.114 301 H LEU 48 H LEU 48 56.406 -5.892 3.944 302 HA LEU 48 HA LEU 48 54.061 -7.311 2.867 303 1HB LEU 48 2HB LEU 48 55.002 -4.837 1.484 304 2HB LEU 48 1HB LEU 48 53.392 -5.524 1.572 305 HG LEU 48 HG LEU 48 54.696 -4.269 3.957 306 1HD1 LEU 48 1HD1 LEU 48 53.042 -2.890 1.834 307 2HD1 LEU 48 2HD1 LEU 48 54.730 -2.566 2.232 308 3HD1 LEU 48 3HD1 LEU 48 53.460 -2.192 3.399 309 1HD2 LEU 48 1HD2 LEU 48 52.740 -5.644 4.382 310 2HD2 LEU 48 2HD2 LEU 48 51.816 -4.742 3.179 311 3HD2 LEU 48 3HD2 LEU 48 52.361 -3.944 4.655 312 H THR 49 H THR 49 56.654 -5.391 1.415 313 HA THR 49 HA THR 49 58.282 -7.501 0.567 314 HB THR 49 HB THR 49 56.423 -8.123 -0.871 315 HG1 THR 49 HG1 THR 49 57.591 -8.281 -2.721 316 1HG2 THR 49 1HG2 THR 49 55.590 -6.665 -2.650 317 2HG2 THR 49 2HG2 THR 49 56.619 -5.357 -2.068 318 3HG2 THR 49 3HG2 THR 49 55.301 -5.956 -1.060 319 H GLN 50 H GLN 50 59.857 -6.129 1.304 320 HA GLN 50 HA GLN 50 60.294 -3.601 -0.122 321 1HB GLN 50 2HB GLN 50 60.346 -3.753 2.890 322 2HB GLN 50 1HB GLN 50 60.385 -2.316 1.883 323 1HG GLN 50 2HG GLN 50 57.988 -4.070 1.769 324 2HG GLN 50 1HG GLN 50 58.223 -3.053 3.186 325 1HE2 GLN 50 1HE2 GLN 50 59.545 -0.956 1.647 326 2HE2 GLN 50 2HE2 GLN 50 58.292 -0.152 0.773 327 H PHE 51 H PHE 51 62.366 -2.550 0.813 328 HA PHE 51 HA PHE 51 64.243 -4.482 1.980 329 1HB PHE 51 2HB PHE 51 64.723 -4.292 -0.469 330 2HB PHE 51 1HB PHE 51 64.980 -2.566 -0.253 331 HD1 PHE 51 HD1 PHE 51 66.195 -5.857 0.996 332 HD2 PHE 51 HD2 PHE 51 67.149 -1.793 0.149 333 HE1 PHE 51 HE1 PHE 51 68.558 -6.302 1.498 334 HE2 PHE 51 HE2 PHE 51 69.498 -2.223 0.667 335 HZ PHE 51 HZ PHE 51 70.215 -4.483 1.341 336 H THR 52 H THR 52 66.019 -3.370 3.156 337 HA THR 52 HA THR 52 65.113 -0.745 4.119 338 HB THR 52 HB THR 52 66.862 -2.650 5.669 339 HG1 THR 52 HG1 THR 52 64.224 -2.620 6.408 340 1HG2 THR 52 1HG2 THR 52 64.975 -0.434 6.485 341 2HG2 THR 52 2HG2 THR 52 66.736 -0.343 6.465 342 3HG2 THR 52 3HG2 THR 52 65.923 -1.434 7.589 343 H CYS 53 H CYS 53 66.350 0.780 3.125 344 HA CYS 53 HA CYS 53 68.970 0.586 2.233 345 1HB CYS 53 2HB CYS 53 67.839 3.037 3.552 346 2HB CYS 53 1HB CYS 53 69.054 2.953 2.279 347 H ASN 54 H ASN 54 70.967 0.616 3.180 348 HA ASN 54 HA ASN 54 71.049 0.023 5.976 349 1HB ASN 54 2HB ASN 54 73.333 -0.504 5.719 350 2HB ASN 54 1HB ASN 54 72.551 -1.036 4.236 351 1HD2 ASN 54 1HD2 ASN 54 73.018 -0.006 2.331 352 2HD2 ASN 54 2HD2 ASN 54 74.318 1.113 2.168 353 H ASN 55 H ASN 55 71.325 2.902 4.159 354 HA ASN 55 HA ASN 55 72.887 4.296 6.111 355 1HB ASN 55 2HB ASN 55 72.896 4.822 3.644 356 2HB ASN 55 1HB ASN 55 71.291 5.512 3.856 357 1HD2 ASN 55 1HD2 ASN 55 71.924 7.545 3.267 358 2HD2 ASN 55 2HD2 ASN 55 72.921 8.543 4.262 359 H GLY 56 H GLY 56 69.924 3.122 6.365 360 1HA GLY 56 2HA GLY 56 68.806 3.638 8.455 361 2HA GLY 56 1HA GLY 56 69.131 5.333 8.147 362 H ARG 57 H ARG 57 68.289 4.339 5.206 363 HA ARG 57 HA ARG 57 65.536 5.224 5.577 364 1HB ARG 57 2HB ARG 57 66.959 4.539 3.008 365 2HB ARG 57 1HB ARG 57 65.456 5.432 3.176 366 1HG ARG 57 2HG ARG 57 66.511 7.343 3.871 367 2HG ARG 57 1HG ARG 57 67.947 6.474 4.435 368 1HD ARG 57 2HD ARG 57 68.556 7.609 2.426 369 2HD ARG 57 1HD ARG 57 68.419 5.887 2.049 370 HE ARG 57 HE ARG 57 65.969 7.220 1.546 371 1HH1 ARG 57 1HH1 ARG 57 69.175 6.781 0.247 372 2HH1 ARG 57 2HH1 ARG 57 68.689 7.036 -1.398 373 1HH2 ARG 57 1HH2 ARG 57 65.313 7.573 -0.629 374 2HH2 ARG 57 2HH2 ARG 57 66.495 7.474 -1.894 375 H CYS 58 H CYS 58 64.032 4.083 3.847 376 HA CYS 58 HA CYS 58 64.459 1.198 3.773 377 1HB CYS 58 2HB CYS 58 61.835 2.487 4.574 378 2HB CYS 58 1HB CYS 58 62.196 0.763 4.527 379 H ILE 59 H ILE 59 63.560 0.242 1.878 380 HA ILE 59 HA ILE 59 62.372 2.165 0.016 381 HB ILE 59 HB ILE 59 63.561 0.926 -1.842 382 1HG1 ILE 59 2HG1 ILE 59 65.611 0.233 0.234 383 2HG1 ILE 59 1HG1 ILE 59 64.298 -0.884 -0.128 384 1HG2 ILE 59 1HG2 ILE 59 65.581 2.296 -1.639 385 2HG2 ILE 59 2HG2 ILE 59 65.160 2.639 0.041 386 3HG2 ILE 59 3HG2 ILE 59 64.110 3.193 -1.264 387 1HD1 ILE 59 1HD1 ILE 59 66.303 -1.435 -1.381 388 2HD1 ILE 59 2HD1 ILE 59 66.310 0.176 -2.102 389 3HD1 ILE 59 3HD1 ILE 59 64.998 -0.946 -2.459 390 H ASN 60 H ASN 60 61.799 0.854 -2.084 391 HA ASN 60 HA ASN 60 59.933 -1.233 -1.336 392 1HB ASN 60 2HB ASN 60 59.455 0.633 -3.014 393 2HB ASN 60 1HB ASN 60 60.555 -0.194 -4.110 394 1HD2 ASN 60 1HD2 ASN 60 57.457 -0.186 -2.622 395 2HD2 ASN 60 2HD2 ASN 60 56.790 -1.519 -3.520 396 H ILE 61 H ILE 61 59.947 -3.315 -2.570 397 HA ILE 61 HA ILE 61 62.624 -4.383 -2.479 398 HB ILE 61 HB ILE 61 60.259 -5.416 -1.774 399 1HG1 ILE 61 2HG1 ILE 61 62.549 -6.330 -1.305 400 2HG1 ILE 61 1HG1 ILE 61 61.308 -7.553 -1.530 401 1HG2 ILE 61 1HG2 ILE 61 60.716 -6.578 -4.512 402 2HG2 ILE 61 2HG2 ILE 61 59.388 -5.514 -4.043 403 3HG2 ILE 61 3HG2 ILE 61 59.521 -7.124 -3.331 404 1HD1 ILE 61 1HD1 ILE 61 62.126 -7.914 -3.825 405 2HD1 ILE 61 2HD1 ILE 61 63.360 -8.227 -2.605 406 3HD1 ILE 61 3HD1 ILE 61 63.397 -6.727 -3.533 407 H ASN 62 H ASN 62 60.714 -3.010 -4.895 408 HA ASN 62 HA ASN 62 61.593 -4.745 -7.041 409 1HB ASN 62 2HB ASN 62 59.837 -2.302 -6.962 410 2HB ASN 62 1HB ASN 62 60.331 -3.051 -8.476 411 1HD2 ASN 62 1HD2 ASN 62 58.380 -3.348 -5.622 412 2HD2 ASN 62 2HD2 ASN 62 57.466 -4.720 -6.153 413 H TRP 63 H TRP 63 63.469 -2.929 -5.455 414 HA TRP 63 HA TRP 63 64.649 -1.534 -7.757 415 1HB TRP 63 2HB TRP 63 65.079 -1.150 -4.785 416 2HB TRP 63 1HB TRP 63 66.050 -0.354 -6.015 417 HD1 TRP 63 HD1 TRP 63 62.392 -0.547 -6.903 418 HE1 TRP 63 HE1 TRP 63 61.310 1.768 -6.599 419 HE3 TRP 63 HE3 TRP 63 66.185 1.816 -4.423 420 HZ2 TRP 63 HZ2 TRP 63 61.974 4.254 -5.474 421 HZ3 TRP 63 HZ3 TRP 63 65.880 4.166 -3.772 422 HH2 TRP 63 HH2 TRP 63 63.814 5.358 -4.287 423 H ARG 64 H ARG 64 64.702 -4.386 -6.343 424 HA ARG 64 HA ARG 64 67.456 -5.016 -6.046 425 1HB ARG 64 2HB ARG 64 65.592 -6.367 -5.082 426 2HB ARG 64 1HB ARG 64 65.120 -6.838 -6.706 427 1HG ARG 64 2HG ARG 64 66.326 -8.663 -6.000 428 2HG ARG 64 1HG ARG 64 67.548 -7.739 -6.877 429 1HD ARG 64 2HD ARG 64 68.217 -6.725 -4.671 430 2HD ARG 64 1HD ARG 64 67.141 -7.889 -3.893 431 HE ARG 64 HE ARG 64 69.260 -8.884 -5.659 432 1HH1 ARG 64 1HH1 ARG 64 67.910 -8.596 -2.447 433 2HH1 ARG 64 2HH1 ARG 64 69.118 -9.592 -1.713 434 1HH2 ARG 64 1HH2 ARG 64 70.835 -10.222 -4.705 435 2HH2 ARG 64 2HH2 ARG 64 70.776 -10.532 -2.999 436 H CYS 65 H CYS 65 68.581 -4.293 -7.831 437 HA CYS 65 HA CYS 65 67.590 -4.888 -10.481 438 1HB CYS 65 2HB CYS 65 69.983 -3.339 -9.516 439 2HB CYS 65 1HB CYS 65 69.610 -3.588 -11.216 440 H ASP 66 H ASP 66 70.921 -4.935 -9.545 441 HA ASP 66 HA ASP 66 71.232 -7.406 -11.093 442 1HB ASP 66 2HB ASP 66 73.602 -6.556 -11.400 443 2HB ASP 66 1HB ASP 66 72.337 -5.614 -12.176 444 H ASN 67 H ASN 67 72.783 -5.725 -8.337 445 HA ASN 67 HA ASN 67 73.805 -8.269 -7.424 446 1HB ASN 67 2HB ASN 67 74.135 -5.540 -6.172 447 2HB ASN 67 1HB ASN 67 74.985 -7.003 -5.696 448 1HD2 ASN 67 1HD2 ASN 67 74.760 -4.438 -7.969 449 2HD2 ASN 67 2HD2 ASN 67 76.199 -4.799 -8.850 450 H ASP 68 H ASP 68 72.324 -5.580 -5.680 451 HA ASP 68 HA ASP 68 70.438 -7.456 -4.440 452 1HB ASP 68 2HB ASP 68 72.576 -6.854 -3.022 453 2HB ASP 68 1HB ASP 68 71.740 -5.329 -2.759 454 H ASN 69 H ASN 69 69.774 -5.050 -2.637 455 HA ASN 69 HA ASN 69 67.892 -3.960 -4.617 456 1HB ASN 69 2HB ASN 69 67.333 -5.324 -2.379 457 2HB ASN 69 1HB ASN 69 67.397 -3.702 -1.699 458 1HD2 ASN 69 1HD2 ASN 69 65.180 -5.597 -2.083 459 2HD2 ASN 69 2HD2 ASN 69 63.985 -4.729 -2.977 460 H ASP 70 H ASP 70 67.836 -1.888 -5.038 461 HA ASP 70 HA ASP 70 70.110 -0.324 -4.480 462 1HB ASP 70 2HB ASP 70 68.324 -0.434 -6.466 463 2HB ASP 70 1HB ASP 70 67.663 0.942 -5.590 464 H CYS 71 H CYS 71 69.037 2.271 -4.415 465 HA CYS 71 HA CYS 71 67.059 3.054 -2.772 466 1HB CYS 71 2HB CYS 71 68.096 1.720 -0.926 467 2HB CYS 71 1HB CYS 71 69.515 2.758 -1.020 468 H GLY 72 H GLY 72 70.324 3.483 -3.833 469 1HA GLY 72 2HA GLY 72 71.114 5.422 -4.901 470 2HA GLY 72 1HA GLY 72 69.823 6.341 -4.144 471 H ASP 73 H ASP 73 70.884 4.685 -1.635 472 HA ASP 73 HA ASP 73 72.884 6.719 -0.900 473 1HB ASP 73 2HB ASP 73 72.269 6.220 1.430 474 2HB ASP 73 1HB ASP 73 70.868 6.729 0.496 475 H ASN 74 H ASN 74 73.237 4.166 -2.367 476 HA ASN 74 HA ASN 74 74.752 2.499 -2.555 477 1HB ASN 74 2HB ASN 74 76.230 4.364 -1.491 478 2HB ASN 74 1HB ASN 74 76.108 3.404 -0.026 479 1HD2 ASN 74 1HD2 ASN 74 76.153 0.833 -1.351 480 2HD2 ASN 74 2HD2 ASN 74 77.761 0.608 -1.943 481 H SER 75 H SER 75 72.294 2.046 -1.199 482 HA SER 75 HA SER 75 72.698 0.306 0.975 483 1HB SER 75 2HB SER 75 70.461 0.575 -0.999 484 2HB SER 75 1HB SER 75 70.441 -0.648 0.274 485 HG SER 75 HG SER 75 70.643 2.177 0.618 486 H ASP 76 H ASP 76 71.510 -0.856 -2.117 487 HA ASP 76 HA ASP 76 72.994 -3.235 -2.040 488 1HB ASP 76 2HB ASP 76 71.097 -3.021 -3.545 489 2HB ASP 76 1HB ASP 76 71.910 -1.729 -4.431 490 H GLU 77 H GLU 77 73.369 -0.417 -4.086 491 HA GLU 77 HA GLU 77 76.160 -0.093 -3.673 492 1HB GLU 77 2HB GLU 77 76.535 -0.362 -6.285 493 2HB GLU 77 1HB GLU 77 76.744 -1.704 -5.176 494 1HG GLU 77 2HG GLU 77 75.528 -2.362 -7.178 495 2HG GLU 77 1HG GLU 77 74.548 -2.553 -5.729 496 H ALA 78 H ALA 78 73.272 0.671 -5.426 497 HA ALA 78 HA ALA 78 72.271 2.684 -5.810 498 1HB ALA 78 1HB ALA 78 73.243 4.779 -5.080 499 2HB ALA 78 2HB ALA 78 74.779 3.978 -4.753 500 3HB ALA 78 3HB ALA 78 73.353 3.573 -3.799 501 H GLY 79 H GLY 79 73.749 1.214 -7.755 502 1HA GLY 79 2HA GLY 79 74.596 3.444 -9.510 503 2HA GLY 79 1HA GLY 79 75.291 1.832 -9.583 504 H CYS 80 H CYS 80 72.013 1.568 -8.967 505 HA CYS 80 HA CYS 80 71.496 1.111 -11.824 506 1HB CYS 80 2HB CYS 80 71.324 -0.931 -10.535 507 2HB CYS 80 1HB CYS 80 70.221 -0.163 -9.397 508 H SER 81 H SER 81 69.469 1.799 -8.944 509 HA SER 81 HA SER 81 67.731 3.308 -10.772 510 1HB SER 81 2HB SER 81 67.071 2.027 -8.115 511 2HB SER 81 1HB SER 81 65.926 2.850 -9.175 512 HG SER 81 HG SER 81 67.423 0.511 -9.789 513 H HIS 82 HN HIS 82 69.402 5.085 -10.389 514 HA HIS 82 HA HIS 82 68.096 7.096 -8.910 515 1HB HIS 82 2HB HIS 82 70.018 5.627 -7.390 516 2HB HIS 82 1HB HIS 82 70.675 7.232 -7.695 517 HD1 HIS 82 HD1 HIS 82 67.419 5.728 -6.390 518 HD2 HIS 82 HD2 HIS 82 69.815 9.095 -5.955 519 HE1 HIS 82 HE1 HIS 82 66.380 7.105 -4.536 Start of MODEL 7 1 1H SER 1 1HT SER 1 35.667 -5.335 5.470 2 2H SER 1 2HT SER 1 37.149 -5.226 4.662 3 3H SER 1 3HT SER 1 36.779 -6.605 5.571 4 HA SER 1 HA SER 1 36.555 -6.988 3.185 5 1HB SER 1 2HB SER 1 33.895 -7.026 4.636 6 2HB SER 1 1HB SER 1 34.417 -8.104 3.340 7 HG SER 1 HG SER 1 34.684 -9.139 5.322 8 H ALA 2 H ALA 2 35.669 -6.410 1.221 9 HA ALA 2 HA ALA 2 34.771 -5.098 -0.391 10 1HB ALA 2 1HB ALA 2 32.652 -5.249 0.828 11 2HB ALA 2 2HB ALA 2 32.859 -3.668 0.077 12 3HB ALA 2 3HB ALA 2 33.117 -3.858 1.809 13 H ARG 3 H ARG 3 35.215 -3.147 -1.378 14 HA ARG 3 HA ARG 3 36.377 -1.247 -1.823 15 1HB ARG 3 2HB ARG 3 34.876 -0.338 -0.016 16 2HB ARG 3 1HB ARG 3 36.165 -0.654 1.135 17 1HG ARG 3 2HG ARG 3 37.622 0.857 -0.281 18 2HG ARG 3 1HG ARG 3 36.151 1.314 -1.139 19 1HD ARG 3 2HD ARG 3 36.632 1.615 1.825 20 2HD ARG 3 1HD ARG 3 36.713 2.911 0.635 21 HE ARG 3 HE ARG 3 34.195 1.600 0.554 22 1HH1 ARG 3 1HH1 ARG 3 36.066 3.906 2.392 23 2HH1 ARG 3 2HH1 ARG 3 34.685 4.734 3.027 24 1HH2 ARG 3 1HH2 ARG 3 32.349 2.678 1.389 25 2HH2 ARG 3 2HH2 ARG 3 32.555 4.030 2.450 26 H THR 4 H THR 4 37.654 -3.786 -0.645 27 HA THR 4 HA THR 4 40.076 -2.710 0.554 28 HB THR 4 HB THR 4 40.622 -5.211 0.776 29 HG1 THR 4 HG1 THR 4 39.187 -6.213 -0.529 30 1HG2 THR 4 1HG2 THR 4 39.905 -3.820 2.651 31 2HG2 THR 4 2HG2 THR 4 39.193 -5.431 2.754 32 3HG2 THR 4 3HG2 THR 4 38.218 -4.069 2.202 33 H CYS 5 H CYS 5 39.263 -2.708 -2.439 34 HA CYS 5 HA CYS 5 40.340 -2.701 -4.425 35 1HB CYS 5 2HB CYS 5 42.647 -2.814 -2.518 36 2HB CYS 5 1HB CYS 5 42.935 -2.943 -4.250 37 HA PRO 6 HA PRO 6 40.873 -6.896 -5.827 38 1HB PRO 6 2HB PRO 6 43.014 -6.229 -7.694 39 2HB PRO 6 1HB PRO 6 41.336 -6.651 -8.037 40 1HG PRO 6 2HG PRO 6 42.329 -4.163 -8.435 41 2HG PRO 6 1HG PRO 6 40.637 -4.468 -8.000 42 1HD PRO 6 2HD PRO 6 42.915 -3.586 -6.265 43 2HD PRO 6 1HD PRO 6 41.227 -3.026 -6.284 44 HA PRO 7 HA PRO 7 44.373 -9.083 -4.090 45 1HB PRO 7 2HB PRO 7 44.823 -10.324 -6.762 46 2HB PRO 7 1HB PRO 7 44.625 -11.094 -5.183 47 1HG PRO 7 2HG PRO 7 42.650 -11.129 -6.971 48 2HG PRO 7 1HG PRO 7 42.313 -10.922 -5.244 49 1HD PRO 7 2HD PRO 7 42.307 -8.900 -7.434 50 2HD PRO 7 1HD PRO 7 41.251 -9.027 -6.012 51 H ASN 8 H ASN 8 46.532 -8.765 -3.867 52 HA ASN 8 HA ASN 8 48.634 -7.945 -4.161 53 1HB ASN 8 2HB ASN 8 48.313 -9.202 -6.431 54 2HB ASN 8 1HB ASN 8 48.160 -7.581 -7.102 55 1HD2 ASN 8 1HD2 ASN 8 49.969 -6.230 -7.135 56 2HD2 ASN 8 2HD2 ASN 8 51.567 -6.831 -6.871 57 H GLN 9 H GLN 9 46.110 -6.276 -4.000 58 HA GLN 9 HA GLN 9 47.320 -3.705 -4.695 59 1HB GLN 9 2HB GLN 9 44.973 -4.831 -5.880 60 2HB GLN 9 1HB GLN 9 44.483 -3.482 -4.874 61 1HG GLN 9 2HG GLN 9 44.840 -2.672 -7.076 62 2HG GLN 9 1HG GLN 9 46.139 -2.068 -6.048 63 1HE2 GLN 9 1HE2 GLN 9 46.047 -5.374 -7.179 64 2HE2 GLN 9 2HE2 GLN 9 47.377 -5.244 -8.262 65 H PHE 10 H PHE 10 46.926 -2.109 -3.251 66 HA PHE 10 HA PHE 10 45.677 -2.950 -0.738 67 1HB PHE 10 2HB PHE 10 48.000 -2.552 -0.386 68 2HB PHE 10 1HB PHE 10 47.963 -1.060 -1.318 69 HD1 PHE 10 HD1 PHE 10 45.846 -2.336 1.471 70 HD2 PHE 10 HD2 PHE 10 48.497 0.713 0.095 71 HE1 PHE 10 HE1 PHE 10 45.443 -1.056 3.529 72 HE2 PHE 10 HE2 PHE 10 48.076 1.996 2.147 73 HZ PHE 10 HZ PHE 10 46.551 1.114 3.864 74 H SER 11 H SER 11 44.167 -1.715 0.146 75 HA SER 11 HA SER 11 43.105 0.462 -1.429 76 1HB SER 11 2HB SER 11 41.015 0.025 -0.120 77 2HB SER 11 1HB SER 11 41.540 -1.351 -1.093 78 HG SER 11 HG SER 11 42.135 -0.997 1.664 79 H CYS 12 H CYS 12 43.865 2.239 -0.788 80 HA CYS 12 HA CYS 12 44.922 2.743 1.788 81 1HB CYS 12 2HB CYS 12 45.256 3.762 -0.706 82 2HB CYS 12 1HB CYS 12 44.279 5.016 0.041 83 H ALA 13 H ALA 13 44.150 5.310 2.363 84 HA ALA 13 HA ALA 13 41.805 5.067 3.813 85 1HB ALA 13 1HB ALA 13 43.091 7.584 2.781 86 2HB ALA 13 2HB ALA 13 43.478 6.756 4.286 87 3HB ALA 13 3HB ALA 13 41.894 7.501 4.072 88 H SER 14 H SER 14 40.233 4.159 2.441 89 HA SER 14 HA SER 14 38.126 4.378 1.681 90 1HB SER 14 2HB SER 14 38.732 7.330 1.561 91 2HB SER 14 1HB SER 14 37.138 6.614 1.300 92 HG SER 14 HG SER 14 38.517 7.041 3.637 93 H GLY 15 H GLY 15 40.203 6.584 -0.287 94 1HA GLY 15 2HA GLY 15 38.612 5.622 -2.585 95 2HA GLY 15 1HA GLY 15 39.252 7.246 -2.448 96 H ARG 16 H ARG 16 41.768 5.409 -1.416 97 HA ARG 16 HA ARG 16 42.926 5.559 -4.099 98 1HB ARG 16 2HB ARG 16 44.240 5.181 -1.412 99 2HB ARG 16 1HB ARG 16 45.107 5.155 -2.935 100 1HG ARG 16 2HG ARG 16 44.519 7.479 -3.333 101 2HG ARG 16 1HG ARG 16 43.572 7.506 -1.840 102 1HD ARG 16 2HD ARG 16 45.544 7.086 -0.524 103 2HD ARG 16 1HD ARG 16 46.516 6.874 -1.977 104 HE ARG 16 HE ARG 16 45.274 9.474 -1.681 105 1HH1 ARG 16 1HH1 ARG 16 48.104 7.498 -1.159 106 2HH1 ARG 16 2HH1 ARG 16 49.188 8.842 -0.974 107 1HH2 ARG 16 1HH2 ARG 16 46.719 11.274 -1.405 108 2HH2 ARG 16 2HH2 ARG 16 48.404 10.973 -1.066 109 H CYS 17 H CYS 17 44.046 3.799 -5.034 110 HA CYS 17 HA CYS 17 43.654 1.154 -3.871 111 1HB CYS 17 2HB CYS 17 41.720 1.903 -5.505 112 2HB CYS 17 1HB CYS 17 42.911 1.547 -6.752 113 H ILE 18 H ILE 18 45.824 0.781 -3.707 114 HA ILE 18 HA ILE 18 47.493 1.531 -6.032 115 HB ILE 18 HB ILE 18 49.150 2.362 -4.609 116 1HG1 ILE 18 2HG1 ILE 18 47.784 0.876 -2.355 117 2HG1 ILE 18 1HG1 ILE 18 49.325 0.453 -3.100 118 1HG2 ILE 18 1HG2 ILE 18 47.130 3.768 -4.573 119 2HG2 ILE 18 2HG2 ILE 18 48.039 3.890 -3.067 120 3HG2 ILE 18 3HG2 ILE 18 46.570 2.908 -3.135 121 1HD1 ILE 18 1HD1 ILE 18 50.268 2.569 -2.272 122 2HD1 ILE 18 2HD1 ILE 18 49.706 1.510 -0.978 123 3HD1 ILE 18 3HD1 ILE 18 48.734 2.898 -1.463 124 HA PRO 19 HA PRO 19 48.952 -2.711 -6.047 125 1HB PRO 19 2HB PRO 19 51.616 -1.647 -6.732 126 2HB PRO 19 1HB PRO 19 50.578 -2.760 -7.639 127 1HG PRO 19 2HG PRO 19 50.964 -0.214 -8.426 128 2HG PRO 19 1HG PRO 19 49.423 -1.054 -8.670 129 1HD PRO 19 2HD PRO 19 50.166 0.995 -6.627 130 2HD PRO 19 1HD PRO 19 48.632 0.768 -7.492 131 H ILE 20 H ILE 20 49.783 -3.989 -4.419 132 HA ILE 20 HA ILE 20 51.057 -2.621 -2.217 133 HB ILE 20 HB ILE 20 50.820 -5.584 -2.340 134 1HG1 ILE 20 2HG1 ILE 20 48.639 -3.608 -1.661 135 2HG1 ILE 20 1HG1 ILE 20 48.605 -4.821 -2.932 136 1HG2 ILE 20 1HG2 ILE 20 50.753 -3.536 -0.141 137 2HG2 ILE 20 2HG2 ILE 20 52.091 -4.613 -0.542 138 3HG2 ILE 20 3HG2 ILE 20 50.585 -5.277 0.094 139 1HD1 ILE 20 1HD1 ILE 20 48.602 -6.589 -1.277 140 2HD1 ILE 20 2HD1 ILE 20 47.258 -5.475 -1.013 141 3HD1 ILE 20 3HD1 ILE 20 48.690 -5.389 0.013 142 H SER 21 H SER 21 53.018 -2.001 -3.113 143 HA SER 21 HA SER 21 55.027 -4.024 -2.628 144 1HB SER 21 2HB SER 21 54.720 -4.156 -5.078 145 2HB SER 21 1HB SER 21 54.976 -2.418 -5.205 146 HG SER 21 HG SER 21 57.063 -3.130 -3.979 147 H TRP 22 H TRP 22 53.722 -1.259 -1.877 148 HA TRP 22 HA TRP 22 56.165 0.023 -1.068 149 1HB TRP 22 2HB TRP 22 55.648 2.156 -2.387 150 2HB TRP 22 1HB TRP 22 56.402 0.815 -3.234 151 HD1 TRP 22 HD1 TRP 22 54.825 -0.567 -4.969 152 HE1 TRP 22 HE1 TRP 22 52.790 0.204 -6.341 153 HE3 TRP 22 HE3 TRP 22 53.590 3.640 -2.326 154 HZ2 TRP 22 HZ2 TRP 22 50.919 2.310 -6.310 155 HZ3 TRP 22 HZ3 TRP 22 51.668 4.977 -3.071 156 HH2 TRP 22 HH2 TRP 22 50.361 4.321 -5.020 157 H THR 23 H THR 23 53.586 -0.701 0.247 158 HA THR 23 HA THR 23 52.479 1.715 1.177 159 HB THR 23 HB THR 23 51.908 0.368 3.255 160 HG1 THR 23 HG1 THR 23 53.769 -1.245 2.099 161 1HG2 THR 23 1HG2 THR 23 51.201 -0.866 0.579 162 2HG2 THR 23 2HG2 THR 23 50.397 0.523 1.315 163 3HG2 THR 23 3HG2 THR 23 50.307 -1.061 2.088 164 H CYS 24 H CYS 24 54.109 -0.196 3.512 165 HA CYS 24 HA CYS 24 55.300 1.712 5.042 166 1HB CYS 24 2HB CYS 24 54.936 -0.630 5.638 167 2HB CYS 24 1HB CYS 24 56.174 -1.130 4.501 168 H ASP 25 H ASP 25 56.249 3.216 3.480 169 HA ASP 25 HA ASP 25 58.938 2.458 2.579 170 1HB ASP 25 2HB ASP 25 57.588 1.870 0.711 171 2HB ASP 25 1HB ASP 25 56.648 3.346 0.834 172 H LEU 26 H LEU 26 56.868 4.709 3.924 173 HA LEU 26 HA LEU 26 57.204 6.745 4.827 174 1HB LEU 26 2HB LEU 26 59.951 6.410 3.668 175 2HB LEU 26 1HB LEU 26 59.447 7.928 4.387 176 HG LEU 26 HG LEU 26 59.428 5.279 5.845 177 1HD1 LEU 26 1HD1 LEU 26 61.398 6.122 7.014 178 2HD1 LEU 26 2HD1 LEU 26 61.424 7.536 5.959 179 3HD1 LEU 26 3HD1 LEU 26 61.709 5.929 5.288 180 1HD2 LEU 26 1HD2 LEU 26 59.110 8.116 6.816 181 2HD2 LEU 26 2HD2 LEU 26 59.158 6.676 7.831 182 3HD2 LEU 26 3HD2 LEU 26 57.827 6.912 6.698 183 H ASP 27 H ASP 27 56.330 6.130 1.971 184 HA ASP 27 HA ASP 27 56.538 8.894 0.976 185 1HB ASP 27 2HB ASP 27 57.239 6.892 -0.525 186 2HB ASP 27 1HB ASP 27 55.510 6.600 -0.682 187 H ASP 28 H ASP 28 54.332 9.079 -0.618 188 HA ASP 28 HA ASP 28 52.435 9.611 1.525 189 1HB ASP 28 2HB ASP 28 53.123 11.420 -0.043 190 2HB ASP 28 1HB ASP 28 52.367 10.529 -1.358 191 H ASP 29 H ASP 29 51.911 7.241 1.633 192 HA ASP 29 HA ASP 29 49.362 7.137 0.197 193 1HB ASP 29 2HB ASP 29 49.392 4.769 -0.042 194 2HB ASP 29 1HB ASP 29 50.924 5.356 -0.666 195 H CYS 30 H CYS 30 48.678 4.695 1.986 196 HA CYS 30 HA CYS 30 48.444 5.867 4.546 197 1HB CYS 30 2HB CYS 30 46.004 6.533 4.339 198 2HB CYS 30 1HB CYS 30 47.191 7.607 3.616 199 H GLY 31 H GLY 31 48.853 3.559 4.946 200 1HA GLY 31 2HA GLY 31 46.662 1.741 4.841 201 2HA GLY 31 1HA GLY 31 48.042 1.638 5.930 202 H ASP 32 H ASP 32 47.452 4.446 6.745 203 HA ASP 32 HA ASP 32 44.889 4.294 8.111 204 1HB ASP 32 2HB ASP 32 46.171 3.434 9.901 205 2HB ASP 32 1HB ASP 32 47.558 4.444 9.509 206 H ARG 33 H ARG 33 47.869 6.197 8.167 207 HA ARG 33 HA ARG 33 46.309 8.580 7.442 208 1HB ARG 33 2HB ARG 33 47.587 8.160 9.816 209 2HB ARG 33 1HB ARG 33 48.841 8.973 8.890 210 1HG ARG 33 2HG ARG 33 47.537 10.550 10.181 211 2HG ARG 33 1HG ARG 33 47.330 10.812 8.448 212 1HD ARG 33 2HD ARG 33 45.230 10.909 9.877 213 2HD ARG 33 1HD ARG 33 45.180 9.879 8.447 214 HE ARG 33 HE ARG 33 45.885 8.106 10.321 215 1HH1 ARG 33 1HH1 ARG 33 43.442 10.613 10.422 216 2HH1 ARG 33 2HH1 ARG 33 42.351 9.686 11.394 217 1HH2 ARG 33 1HH2 ARG 33 44.452 6.864 11.562 218 2HH2 ARG 33 2HH2 ARG 33 42.933 7.553 12.050 219 H SER 34 H SER 34 49.779 8.020 7.798 220 HA SER 34 HA SER 34 50.128 8.536 4.922 221 1HB SER 34 2HB SER 34 52.499 9.083 5.576 222 2HB SER 34 1HB SER 34 51.302 10.172 6.280 223 HG SER 34 HG SER 34 53.075 8.571 7.517 224 H ASP 35 H ASP 35 49.471 6.092 6.556 225 HA ASP 35 HA ASP 35 49.822 3.845 6.470 226 1HB ASP 35 2HB ASP 35 50.294 4.024 4.091 227 2HB ASP 35 1HB ASP 35 51.964 4.480 4.443 228 H GLU 36 H GLU 36 52.130 6.044 7.483 229 HA GLU 36 HA GLU 36 53.996 3.953 8.309 230 1HB GLU 36 2HB GLU 36 54.404 6.950 8.334 231 2HB GLU 36 1HB GLU 36 55.636 5.717 8.579 232 1HG GLU 36 2HG GLU 36 54.114 6.254 6.035 233 2HG GLU 36 1HG GLU 36 55.801 6.647 6.355 234 H SER 37 H SER 37 52.229 3.439 9.855 235 HA SER 37 HA SER 37 53.129 4.057 12.425 236 1HB SER 37 2HB SER 37 51.941 6.210 11.982 237 2HB SER 37 1HB SER 37 50.441 5.302 11.794 238 HG SER 37 HG SER 37 51.848 5.955 14.078 239 H ALA 38 H ALA 38 49.805 3.499 11.204 240 HA ALA 38 HA ALA 38 49.575 1.380 13.172 241 1HB ALA 38 1HB ALA 38 47.872 3.141 13.045 242 2HB ALA 38 2HB ALA 38 47.197 1.528 12.821 243 3HB ALA 38 3HB ALA 38 47.441 2.584 11.430 244 H SER 39 H SER 39 50.339 1.453 9.903 245 HA SER 39 HA SER 39 49.093 -1.168 9.497 246 1HB SER 39 2HB SER 39 49.805 -0.624 7.020 247 2HB SER 39 1HB SER 39 48.342 0.073 7.715 248 HG SER 39 HG SER 39 50.279 1.386 6.618 249 H CYS 40 H CYS 40 52.211 0.532 8.939 250 HA CYS 40 HA CYS 40 53.472 -2.067 8.623 251 1HB CYS 40 2HB CYS 40 54.196 -0.195 7.193 252 2HB CYS 40 1HB CYS 40 54.751 0.670 8.625 253 H ALA 41 H ALA 41 53.556 0.638 10.916 254 HA ALA 41 HA ALA 41 54.061 0.756 13.121 255 1HB ALA 41 1HB ALA 41 54.157 -1.223 14.500 256 2HB ALA 41 2HB ALA 41 54.302 -2.245 13.069 257 3HB ALA 41 3HB ALA 41 52.813 -1.346 13.359 258 H TYR 42 H TYR 42 56.139 -0.597 10.869 259 HA TYR 42 HA TYR 42 58.365 -0.689 10.586 260 1HB TYR 42 2HB TYR 42 58.016 1.672 12.369 261 2HB TYR 42 1HB TYR 42 59.651 1.122 12.004 262 HD1 TYR 42 HD1 TYR 42 60.318 3.032 10.677 263 HD2 TYR 42 HD2 TYR 42 56.827 0.824 9.681 264 HE1 TYR 42 HE1 TYR 42 60.238 4.148 8.492 265 HE2 TYR 42 HE2 TYR 42 56.734 1.929 7.495 266 HH TYR 42 HH TYR 42 57.502 3.823 6.373 267 HA PRO 43 HA PRO 43 59.851 -3.027 14.230 268 1HB PRO 43 2HB PRO 43 58.598 -5.388 14.171 269 2HB PRO 43 1HB PRO 43 57.883 -4.003 14.999 270 1HG PRO 43 2HG PRO 43 57.110 -5.270 12.445 271 2HG PRO 43 1HG PRO 43 56.132 -4.314 13.571 272 1HD PRO 43 2HD PRO 43 57.406 -3.444 11.142 273 2HD PRO 43 1HD PRO 43 56.416 -2.490 12.261 274 H THR 44 H THR 44 59.492 -3.222 11.002 275 HA THR 44 HA THR 44 61.816 -4.757 10.480 276 HB THR 44 HB THR 44 59.256 -5.997 9.456 277 HG1 THR 44 HG1 THR 44 60.562 -6.377 11.884 278 1HG2 THR 44 1HG2 THR 44 62.096 -6.992 9.572 279 2HG2 THR 44 2HG2 THR 44 61.255 -6.420 8.131 280 3HG2 THR 44 3HG2 THR 44 60.721 -7.892 8.938 281 H CYS 45 H CYS 45 58.856 -3.323 9.419 282 HA CYS 45 HA CYS 45 58.342 -1.872 7.768 283 1HB CYS 45 2HB CYS 45 61.237 -2.105 6.925 284 2HB CYS 45 1HB CYS 45 60.053 -1.009 6.208 285 H PHE 46 H PHE 46 58.660 -4.941 7.592 286 HA PHE 46 HA PHE 46 58.111 -5.043 4.704 287 1HB PHE 46 2HB PHE 46 60.172 -6.291 5.487 288 2HB PHE 46 1HB PHE 46 59.100 -7.353 6.379 289 HD1 PHE 46 HD1 PHE 46 56.952 -7.966 4.555 290 HD2 PHE 46 HD2 PHE 46 61.095 -7.399 3.751 291 HE1 PHE 46 HE1 PHE 46 56.764 -9.415 2.591 292 HE2 PHE 46 HE2 PHE 46 60.907 -8.841 1.772 293 HZ PHE 46 HZ PHE 46 58.738 -9.855 1.189 294 HA PRO 47 HA PRO 47 54.210 -6.580 6.503 295 1HB PRO 47 2HB PRO 47 52.832 -4.739 4.785 296 2HB PRO 47 1HB PRO 47 52.836 -4.774 6.548 297 1HG PRO 47 2HG PRO 47 53.979 -2.778 5.032 298 2HG PRO 47 1HG PRO 47 54.444 -3.165 6.698 299 1HD PRO 47 2HD PRO 47 55.778 -3.916 4.128 300 2HD PRO 47 1HD PRO 47 56.498 -3.459 5.687 301 H LEU 48 H LEU 48 55.109 -5.414 3.356 302 HA LEU 48 HA LEU 48 54.544 -7.904 2.047 303 1HB LEU 48 2HB LEU 48 52.830 -5.475 1.583 304 2HB LEU 48 1HB LEU 48 52.995 -6.741 0.383 305 HG LEU 48 HG LEU 48 52.122 -7.442 3.160 306 1HD1 LEU 48 1HD1 LEU 48 49.791 -7.150 2.468 307 2HD1 LEU 48 2HD1 LEU 48 50.338 -6.428 0.952 308 3HD1 LEU 48 3HD1 LEU 48 50.664 -5.614 2.483 309 1HD2 LEU 48 1HD2 LEU 48 52.702 -9.233 1.615 310 2HD2 LEU 48 2HD2 LEU 48 51.549 -8.603 0.437 311 3HD2 LEU 48 3HD2 LEU 48 50.978 -9.247 1.977 312 H THR 49 H THR 49 56.575 -7.930 1.220 313 HA THR 49 HA THR 49 58.258 -7.568 -0.235 314 HB THR 49 HB THR 49 57.684 -6.535 -2.447 315 HG1 THR 49 HG1 THR 49 55.739 -5.415 -1.215 316 1HG2 THR 49 1HG2 THR 49 56.201 -8.374 -3.133 317 2HG2 THR 49 2HG2 THR 49 55.882 -8.734 -1.436 318 3HG2 THR 49 3HG2 THR 49 57.507 -8.930 -2.089 319 H GLN 50 H GLN 50 59.475 -6.290 1.124 320 HA GLN 50 HA GLN 50 59.696 -3.482 0.419 321 1HB GLN 50 2HB GLN 50 59.093 -4.451 3.218 322 2HB GLN 50 1HB GLN 50 59.642 -2.829 2.827 323 1HG GLN 50 2HG GLN 50 57.119 -4.019 1.720 324 2HG GLN 50 1HG GLN 50 57.182 -3.103 3.225 325 1HE2 GLN 50 1HE2 GLN 50 59.281 -1.345 2.162 326 2HE2 GLN 50 2HE2 GLN 50 58.461 -0.232 1.139 327 H PHE 51 H PHE 51 61.580 -2.510 1.650 328 HA PHE 51 HA PHE 51 63.538 -4.514 2.526 329 1HB PHE 51 2HB PHE 51 63.963 -3.782 0.143 330 2HB PHE 51 1HB PHE 51 64.223 -2.155 0.763 331 HD1 PHE 51 HD1 PHE 51 66.233 -1.583 1.947 332 HD2 PHE 51 HD2 PHE 51 65.543 -5.565 0.623 333 HE1 PHE 51 HE1 PHE 51 68.598 -2.123 2.350 334 HE2 PHE 51 HE2 PHE 51 67.905 -6.116 1.022 335 HZ PHE 51 HZ PHE 51 69.433 -4.396 1.892 336 H THR 52 H THR 52 65.049 -3.718 4.057 337 HA THR 52 HA THR 52 64.185 -1.238 5.366 338 HB THR 52 HB THR 52 65.945 -3.325 6.637 339 HG1 THR 52 HG1 THR 52 63.242 -3.464 7.219 340 1HG2 THR 52 1HG2 THR 52 64.914 -2.465 8.697 341 2HG2 THR 52 2HG2 THR 52 63.953 -1.338 7.741 342 3HG2 THR 52 3HG2 THR 52 65.707 -1.183 7.784 343 H CYS 53 H CYS 53 65.409 0.312 4.326 344 HA CYS 53 HA CYS 53 68.074 0.097 3.519 345 1HB CYS 53 2HB CYS 53 66.507 1.933 2.916 346 2HB CYS 53 1HB CYS 53 66.724 2.589 4.537 347 H ASN 54 H ASN 54 70.031 0.412 4.497 348 HA ASN 54 HA ASN 54 70.185 -0.213 7.241 349 1HB ASN 54 2HB ASN 54 72.446 -0.438 6.930 350 2HB ASN 54 1HB ASN 54 71.913 -0.536 5.258 351 1HD2 ASN 54 1HD2 ASN 54 72.111 1.355 3.944 352 2HD2 ASN 54 2HD2 ASN 54 73.305 2.544 4.310 353 H ASN 55 H ASN 55 70.326 2.845 5.523 354 HA ASN 55 HA ASN 55 71.227 4.223 7.882 355 1HB ASN 55 2HB ASN 55 72.136 4.727 5.609 356 2HB ASN 55 1HB ASN 55 70.565 5.403 5.189 357 1HD2 ASN 55 1HD2 ASN 55 71.873 7.322 4.762 358 2HD2 ASN 55 2HD2 ASN 55 72.227 8.388 6.082 359 H GLY 56 H GLY 56 68.702 3.053 8.190 360 1HA GLY 56 2HA GLY 56 67.206 3.866 9.804 361 2HA GLY 56 1HA GLY 56 67.473 5.495 9.206 362 H ARG 57 H ARG 57 67.032 4.110 6.412 363 HA ARG 57 HA ARG 57 64.221 4.850 6.437 364 1HB ARG 57 2HB ARG 57 65.858 4.111 4.025 365 2HB ARG 57 1HB ARG 57 64.379 5.060 4.079 366 1HG ARG 57 2HG ARG 57 65.456 6.951 4.783 367 2HG ARG 57 1HG ARG 57 66.802 6.048 5.496 368 1HD ARG 57 2HD ARG 57 67.444 5.352 3.191 369 2HD ARG 57 1HD ARG 57 66.226 6.469 2.569 370 HE ARG 57 HE ARG 57 67.536 8.253 3.716 371 1HH1 ARG 57 1HH1 ARG 57 69.026 5.252 2.749 372 2HH1 ARG 57 2HH1 ARG 57 70.631 5.913 2.663 373 1HH2 ARG 57 1HH2 ARG 57 69.652 9.153 3.574 374 2HH2 ARG 57 2HH2 ARG 57 70.985 8.121 3.138 375 H CYS 58 H CYS 58 62.685 3.568 5.147 376 HA CYS 58 HA CYS 58 63.471 0.766 4.757 377 1HB CYS 58 2HB CYS 58 60.777 1.738 5.745 378 2HB CYS 58 1HB CYS 58 61.222 0.066 5.413 379 H ILE 59 H ILE 59 63.322 0.286 2.608 380 HA ILE 59 HA ILE 59 61.814 2.259 1.063 381 HB ILE 59 HB ILE 59 63.359 2.091 -0.767 382 1HG1 ILE 59 2HG1 ILE 59 65.041 0.220 0.914 383 2HG1 ILE 59 1HG1 ILE 59 63.971 -0.324 -0.374 384 1HG2 ILE 59 1HG2 ILE 59 63.850 3.720 0.949 385 2HG2 ILE 59 2HG2 ILE 59 65.346 3.077 0.271 386 3HG2 ILE 59 3HG2 ILE 59 64.785 2.524 1.849 387 1HD1 ILE 59 1HD1 ILE 59 66.357 1.487 -0.671 388 2HD1 ILE 59 2HD1 ILE 59 65.265 1.036 -1.979 389 3HD1 ILE 59 3HD1 ILE 59 66.239 -0.197 -1.176 390 H ASN 60 H ASN 60 60.978 1.663 -0.966 391 HA ASN 60 HA ASN 60 59.475 -0.624 -1.220 392 1HB ASN 60 2HB ASN 60 59.301 1.498 -2.544 393 2HB ASN 60 1HB ASN 60 60.702 0.986 -3.468 394 1HD2 ASN 60 1HD2 ASN 60 58.042 1.599 -4.374 395 2HD2 ASN 60 2HD2 ASN 60 57.460 0.181 -5.173 396 H ILE 61 H ILE 61 59.795 -2.662 -1.955 397 HA ILE 61 HA ILE 61 62.456 -3.671 -2.086 398 HB ILE 61 HB ILE 61 60.119 -4.773 -1.383 399 1HG1 ILE 61 2HG1 ILE 61 62.410 -5.661 -0.952 400 2HG1 ILE 61 1HG1 ILE 61 61.222 -6.913 -1.284 401 1HG2 ILE 61 1HG2 ILE 61 59.436 -6.475 -3.020 402 2HG2 ILE 61 2HG2 ILE 61 60.541 -5.768 -4.196 403 3HG2 ILE 61 3HG2 ILE 61 59.169 -4.833 -3.603 404 1HD1 ILE 61 1HD1 ILE 61 62.083 -7.158 -3.536 405 2HD1 ILE 61 2HD1 ILE 61 63.373 -7.358 -2.349 406 3HD1 ILE 61 3HD1 ILE 61 63.234 -5.852 -3.255 407 H ASN 62 H ASN 62 60.310 -2.383 -4.381 408 HA ASN 62 HA ASN 62 61.293 -3.917 -6.644 409 1HB ASN 62 2HB ASN 62 58.874 -3.188 -6.311 410 2HB ASN 62 1HB ASN 62 59.403 -1.560 -6.703 411 1HD2 ASN 62 1HD2 ASN 62 58.964 -4.798 -7.916 412 2HD2 ASN 62 2HD2 ASN 62 58.986 -4.386 -9.592 413 H TRP 63 H TRP 63 63.058 -2.052 -5.097 414 HA TRP 63 HA TRP 63 63.822 -0.264 -7.304 415 1HB TRP 63 2HB TRP 63 64.492 -0.186 -4.366 416 2HB TRP 63 1HB TRP 63 65.290 0.835 -5.558 417 HD1 TRP 63 HD1 TRP 63 61.816 0.603 -6.641 418 HE1 TRP 63 HE1 TRP 63 60.454 2.643 -5.864 419 HE3 TRP 63 HE3 TRP 63 65.068 2.471 -3.194 420 HZ2 TRP 63 HZ2 TRP 63 60.728 4.771 -4.024 421 HZ3 TRP 63 HZ3 TRP 63 64.454 4.512 -1.964 422 HH2 TRP 63 HH2 TRP 63 62.325 5.639 -2.373 423 H ARG 64 H ARG 64 64.353 -3.240 -6.326 424 HA ARG 64 HA ARG 64 67.131 -3.639 -6.386 425 1HB ARG 64 2HB ARG 64 64.938 -5.458 -7.425 426 2HB ARG 64 1HB ARG 64 66.598 -5.940 -7.112 427 1HG ARG 64 2HG ARG 64 64.874 -4.823 -4.934 428 2HG ARG 64 1HG ARG 64 64.814 -6.531 -5.379 429 1HD ARG 64 2HD ARG 64 67.223 -6.708 -4.978 430 2HD ARG 64 1HD ARG 64 67.272 -5.007 -4.521 431 HE ARG 64 HE ARG 64 65.549 -5.852 -2.751 432 1HH1 ARG 64 1HH1 ARG 64 68.401 -7.526 -3.924 433 2HH1 ARG 64 2HH1 ARG 64 68.753 -8.260 -2.387 434 1HH2 ARG 64 1HH2 ARG 64 66.019 -6.853 -0.730 435 2HH2 ARG 64 2HH2 ARG 64 67.403 -7.892 -0.590 436 H CYS 65 H CYS 65 68.305 -2.646 -7.943 437 HA CYS 65 HA CYS 65 67.249 -2.489 -10.643 438 1HB CYS 65 2HB CYS 65 68.216 -0.478 -9.640 439 2HB CYS 65 1HB CYS 65 69.751 -1.315 -9.421 440 H ASP 66 H ASP 66 70.315 -3.365 -9.204 441 HA ASP 66 HA ASP 66 70.945 -5.078 -11.493 442 1HB ASP 66 2HB ASP 66 73.242 -5.044 -10.559 443 2HB ASP 66 1HB ASP 66 72.629 -3.416 -10.851 444 H ASN 67 H ASN 67 71.062 -5.155 -7.952 445 HA ASN 67 HA ASN 67 70.234 -7.922 -7.969 446 1HB ASN 67 2HB ASN 67 72.740 -7.954 -8.021 447 2HB ASN 67 1HB ASN 67 72.733 -7.058 -6.505 448 1HD2 ASN 67 1HD2 ASN 67 70.450 -9.596 -7.330 449 2HD2 ASN 67 2HD2 ASN 67 70.993 -10.719 -6.135 450 H ASP 68 H ASP 68 71.202 -5.094 -6.057 451 HA ASP 68 HA ASP 68 69.041 -5.810 -4.193 452 1HB ASP 68 2HB ASP 68 71.592 -5.615 -3.425 453 2HB ASP 68 1HB ASP 68 71.153 -3.911 -3.304 454 H ASN 69 H ASN 69 68.486 -3.523 -2.913 455 HA ASN 69 HA ASN 69 67.389 -2.022 -5.204 456 1HB ASN 69 2HB ASN 69 65.531 -1.439 -3.481 457 2HB ASN 69 1HB ASN 69 65.537 -3.013 -4.261 458 1HD2 ASN 69 1HD2 ASN 69 67.636 -1.964 -1.640 459 2HD2 ASN 69 2HD2 ASN 69 67.032 -3.105 -0.487 460 H ASP 70 H ASP 70 67.798 -0.028 -5.451 461 HA ASP 70 HA ASP 70 69.906 1.198 -4.178 462 1HB ASP 70 2HB ASP 70 68.408 1.626 -6.411 463 2HB ASP 70 1HB ASP 70 67.996 3.022 -5.418 464 H CYS 71 H CYS 71 70.123 2.250 -2.315 465 HA CYS 71 HA CYS 71 67.856 3.905 -1.432 466 1HB CYS 71 2HB CYS 71 68.221 1.875 0.014 467 2HB CYS 71 1HB CYS 71 69.784 2.558 0.455 468 H GLY 72 H GLY 72 70.737 4.150 -2.811 469 1HA GLY 72 2HA GLY 72 71.674 6.262 -3.225 470 2HA GLY 72 1HA GLY 72 70.999 6.841 -1.719 471 H ASP 73 H ASP 73 72.119 5.126 0.173 472 HA ASP 73 HA ASP 73 74.935 5.920 -0.158 473 1HB ASP 73 2HB ASP 73 74.872 5.901 2.460 474 2HB ASP 73 1HB ASP 73 74.264 7.283 1.560 475 H ASN 74 H ASN 74 74.760 3.654 -1.212 476 HA ASN 74 HA ASN 74 75.763 1.619 -1.281 477 1HB ASN 74 2HB ASN 74 77.162 2.786 1.125 478 2HB ASN 74 1HB ASN 74 77.625 1.256 0.392 479 1HD2 ASN 74 1HD2 ASN 74 77.104 2.129 -2.336 480 2HD2 ASN 74 2HD2 ASN 74 78.371 3.235 -2.732 481 H SER 75 H SER 75 73.298 1.934 0.450 482 HA SER 75 HA SER 75 73.464 0.093 2.576 483 1HB SER 75 2HB SER 75 71.632 1.793 2.176 484 2HB SER 75 1HB SER 75 71.033 0.732 0.901 485 HG SER 75 HG SER 75 70.861 -0.916 2.556 486 H ASP 76 H ASP 76 71.941 -0.173 -0.492 487 HA ASP 76 HA ASP 76 71.999 -3.047 -0.654 488 1HB ASP 76 2HB ASP 76 71.111 -2.387 -3.007 489 2HB ASP 76 1HB ASP 76 70.122 -1.950 -1.613 490 H GLU 77 H GLU 77 73.238 -0.380 -2.512 491 HA GLU 77 HA GLU 77 75.860 -1.240 -2.868 492 1HB GLU 77 2HB GLU 77 75.767 -1.703 -5.341 493 2HB GLU 77 1HB GLU 77 75.061 -2.958 -4.342 494 1HG GLU 77 2HG GLU 77 73.498 -2.840 -5.983 495 2HG GLU 77 1HG GLU 77 72.828 -1.667 -4.855 496 H ALA 78 H ALA 78 73.099 0.456 -4.073 497 HA ALA 78 HA ALA 78 72.712 2.565 -4.782 498 1HB ALA 78 1HB ALA 78 75.057 3.214 -3.015 499 2HB ALA 78 2HB ALA 78 73.383 3.042 -2.492 500 3HB ALA 78 3HB ALA 78 73.835 4.345 -3.587 501 H GLY 79 H GLY 79 73.200 2.233 -6.958 502 1HA GLY 79 2HA GLY 79 74.969 4.061 -8.083 503 2HA GLY 79 1HA GLY 79 75.818 2.525 -8.009 504 H CYS 80 H CYS 80 73.117 1.136 -8.389 505 HA CYS 80 HA CYS 80 73.361 1.002 -11.239 506 1HB CYS 80 2HB CYS 80 72.819 -0.974 -9.812 507 2HB CYS 80 1HB CYS 80 71.238 -0.263 -9.495 508 H SER 81 H SER 81 70.940 2.395 -9.010 509 HA SER 81 HA SER 81 69.181 2.970 -11.243 510 1HB SER 81 2HB SER 81 68.265 2.242 -9.065 511 2HB SER 81 1HB SER 81 68.884 3.721 -8.330 512 HG SER 81 HG SER 81 67.480 4.912 -9.601 513 H HIS 82 HN HIS 82 69.259 4.725 -12.419 514 HA HIS 82 HA HIS 82 69.979 7.283 -11.202 515 1HB HIS 82 2HB HIS 82 71.234 6.045 -13.638 516 2HB HIS 82 1HB HIS 82 71.111 7.793 -13.502 517 HD1 HIS 82 HD1 HIS 82 72.602 4.877 -11.536 518 HD2 HIS 82 HD2 HIS 82 73.142 8.949 -12.161 519 HE1 HIS 82 HE1 HIS 82 74.748 5.496 -10.357 Start of MODEL 8 1 1H SER 1 1HT SER 1 30.433 -7.579 0.274 2 2H SER 1 2HT SER 1 31.425 -8.893 -0.146 3 3H SER 1 3HT SER 1 30.041 -8.547 -1.057 4 HA SER 1 HA SER 1 32.082 -7.853 -2.168 5 1HB SER 1 2HB SER 1 30.299 -5.551 -1.331 6 2HB SER 1 1HB SER 1 31.234 -5.678 -2.825 7 HG SER 1 HG SER 1 29.069 -6.245 -3.187 8 H ALA 2 H ALA 2 33.875 -6.446 -2.236 9 HA ALA 2 HA ALA 2 34.734 -5.451 0.393 10 1HB ALA 2 1HB ALA 2 36.216 -7.123 -0.604 11 2HB ALA 2 2HB ALA 2 37.015 -5.553 -0.494 12 3HB ALA 2 3HB ALA 2 36.390 -6.117 -2.044 13 H ARG 3 H ARG 3 36.569 -3.578 -0.208 14 HA ARG 3 HA ARG 3 35.443 -1.748 -2.165 15 1HB ARG 3 2HB ARG 3 34.826 -0.041 -0.717 16 2HB ARG 3 1HB ARG 3 34.316 -1.465 0.179 17 1HG ARG 3 2HG ARG 3 36.366 -1.362 1.510 18 2HG ARG 3 1HG ARG 3 36.869 0.072 0.611 19 1HD ARG 3 2HD ARG 3 34.543 0.996 1.379 20 2HD ARG 3 1HD ARG 3 34.689 -0.246 2.627 21 HE ARG 3 HE ARG 3 36.716 1.860 2.202 22 1HH1 ARG 3 1HH1 ARG 3 34.853 -0.214 4.322 23 2HH1 ARG 3 2HH1 ARG 3 35.437 0.541 5.772 24 1HH2 ARG 3 1HH2 ARG 3 37.494 2.858 4.097 25 2HH2 ARG 3 2HH2 ARG 3 36.928 2.312 5.642 26 H THR 4 H THR 4 36.838 -0.048 -2.709 27 HA THR 4 HA THR 4 38.785 1.002 -3.138 28 HB THR 4 HB THR 4 40.129 1.666 -1.100 29 HG1 THR 4 HG1 THR 4 39.331 -0.277 0.112 30 1HG2 THR 4 1HG2 THR 4 38.348 3.130 -0.232 31 2HG2 THR 4 2HG2 THR 4 37.150 2.160 -1.090 32 3HG2 THR 4 3HG2 THR 4 38.357 3.073 -1.995 33 H CYS 5 H CYS 5 39.870 -0.411 -4.454 34 HA CYS 5 HA CYS 5 41.840 -1.283 -5.163 35 1HB CYS 5 2HB CYS 5 42.528 -0.161 -2.637 36 2HB CYS 5 1HB CYS 5 43.329 -1.721 -2.771 37 HA PRO 6 HA PRO 6 41.301 -5.663 -4.487 38 1HB PRO 6 2HB PRO 6 43.826 -6.025 -5.920 39 2HB PRO 6 1HB PRO 6 42.196 -6.497 -6.405 40 1HG PRO 6 2HG PRO 6 43.553 -4.503 -7.626 41 2HG PRO 6 1HG PRO 6 41.788 -4.494 -7.459 42 1HD PRO 6 2HD PRO 6 43.853 -3.033 -5.856 43 2HD PRO 6 1HD PRO 6 42.282 -2.461 -6.457 44 HA PRO 7 HA PRO 7 43.826 -6.870 -1.069 45 1HB PRO 7 2HB PRO 7 44.252 -9.511 -2.350 46 2HB PRO 7 1HB PRO 7 43.541 -9.119 -0.780 47 1HG PRO 7 2HG PRO 7 42.002 -9.906 -2.804 48 2HG PRO 7 1HG PRO 7 41.463 -8.633 -1.692 49 1HD PRO 7 2HD PRO 7 42.571 -8.384 -4.465 50 2HD PRO 7 1HD PRO 7 41.229 -7.503 -3.705 51 H ASN 8 H ASN 8 45.150 -7.347 -4.271 52 HA ASN 8 HA ASN 8 47.859 -7.743 -3.258 53 1HB ASN 8 2HB ASN 8 46.741 -8.744 -5.452 54 2HB ASN 8 1HB ASN 8 47.274 -7.215 -6.144 55 1HD2 ASN 8 1HD2 ASN 8 49.512 -6.759 -6.218 56 2HD2 ASN 8 2HD2 ASN 8 50.676 -8.034 -6.155 57 H GLN 9 H GLN 9 46.068 -5.266 -3.100 58 HA GLN 9 HA GLN 9 48.028 -3.290 -3.946 59 1HB GLN 9 2HB GLN 9 45.415 -3.710 -5.101 60 2HB GLN 9 1HB GLN 9 45.465 -2.149 -4.303 61 1HG GLN 9 2HG GLN 9 46.051 -1.774 -6.535 62 2HG GLN 9 1HG GLN 9 47.538 -1.653 -5.601 63 1HE2 GLN 9 1HE2 GLN 9 45.993 -4.679 -6.457 64 2HE2 GLN 9 2HE2 GLN 9 47.218 -5.223 -7.538 65 H PHE 10 H PHE 10 47.156 -1.082 -3.039 66 HA PHE 10 HA PHE 10 45.778 -1.441 -0.491 67 1HB PHE 10 2HB PHE 10 48.077 -1.516 0.185 68 2HB PHE 10 1HB PHE 10 48.489 -0.153 -0.852 69 HD1 PHE 10 HD1 PHE 10 46.412 -1.067 2.083 70 HD2 PHE 10 HD2 PHE 10 48.491 1.999 -0.017 71 HE1 PHE 10 HE1 PHE 10 45.959 0.493 3.933 72 HE2 PHE 10 HE2 PHE 10 48.043 3.564 1.830 73 HZ PHE 10 HZ PHE 10 46.776 2.819 3.805 74 H SER 11 H SER 11 44.586 0.357 0.083 75 HA SER 11 HA SER 11 44.311 2.333 -2.012 76 1HB SER 11 2HB SER 11 42.002 2.646 -1.091 77 2HB SER 11 1HB SER 11 42.310 1.025 -1.717 78 HG SER 11 HG SER 11 42.759 1.611 1.000 79 H CYS 12 H CYS 12 45.360 4.163 -1.515 80 HA CYS 12 HA CYS 12 45.788 5.238 1.010 81 1HB CYS 12 2HB CYS 12 46.957 6.349 -0.681 82 2HB CYS 12 1HB CYS 12 45.546 6.451 -1.726 83 H ALA 13 H ALA 13 44.662 7.054 2.034 84 HA ALA 13 HA ALA 13 42.576 6.250 3.331 85 1HB ALA 13 1HB ALA 13 42.780 9.095 2.391 86 2HB ALA 13 2HB ALA 13 43.658 8.382 3.748 87 3HB ALA 13 3HB ALA 13 41.900 8.531 3.812 88 H SER 14 H SER 14 41.308 4.912 1.961 89 HA SER 14 HA SER 14 39.415 4.314 0.865 90 1HB SER 14 2HB SER 14 38.342 6.701 2.381 91 2HB SER 14 1HB SER 14 37.396 5.345 1.769 92 HG SER 14 HG SER 14 39.345 5.345 3.817 93 H GLY 15 H GLY 15 41.021 5.949 -0.812 94 1HA GLY 15 2HA GLY 15 38.928 6.888 -2.606 95 2HA GLY 15 1HA GLY 15 40.069 8.106 -2.061 96 H ARG 16 H ARG 16 42.435 6.717 -2.083 97 HA ARG 16 HA ARG 16 42.829 6.521 -4.965 98 1HB ARG 16 2HB ARG 16 44.816 6.737 -2.696 99 2HB ARG 16 1HB ARG 16 45.267 6.587 -4.387 100 1HG ARG 16 2HG ARG 16 45.435 8.868 -3.926 101 2HG ARG 16 1HG ARG 16 43.898 8.703 -4.774 102 1HD ARG 16 2HD ARG 16 42.733 8.706 -2.594 103 2HD ARG 16 1HD ARG 16 44.279 8.954 -1.784 104 HE ARG 16 HE ARG 16 43.166 10.886 -3.711 105 1HH1 ARG 16 1HH1 ARG 16 44.724 10.139 -0.666 106 2HH1 ARG 16 2HH1 ARG 16 44.842 11.797 -0.174 107 1HH2 ARG 16 1HH2 ARG 16 43.329 13.076 -3.078 108 2HH2 ARG 16 2HH2 ARG 16 44.039 13.476 -1.550 109 H CYS 17 H CYS 17 44.604 4.864 -5.605 110 HA CYS 17 HA CYS 17 44.325 2.347 -4.170 111 1HB CYS 17 2HB CYS 17 42.429 2.626 -5.865 112 2HB CYS 17 1HB CYS 17 43.659 2.512 -7.114 113 H ILE 18 H ILE 18 46.372 1.825 -3.878 114 HA ILE 18 HA ILE 18 48.325 2.314 -6.034 115 HB ILE 18 HB ILE 18 49.980 2.921 -4.375 116 1HG1 ILE 18 2HG1 ILE 18 48.899 3.244 -1.941 117 2HG1 ILE 18 1HG1 ILE 18 47.957 1.859 -2.472 118 1HG2 ILE 18 1HG2 ILE 18 48.404 4.684 -5.092 119 2HG2 ILE 18 2HG2 ILE 18 49.036 4.950 -3.465 120 3HG2 ILE 18 3HG2 ILE 18 47.404 4.317 -3.681 121 1HD1 ILE 18 1HD1 ILE 18 49.820 1.072 -1.230 122 2HD1 ILE 18 2HD1 ILE 18 50.934 2.039 -2.192 123 3HD1 ILE 18 3HD1 ILE 18 50.094 0.674 -2.927 124 HA PRO 19 HA PRO 19 49.266 -2.004 -5.414 125 1HB PRO 19 2HB PRO 19 51.818 -2.157 -6.291 126 2HB PRO 19 1HB PRO 19 50.448 -1.915 -7.383 127 1HG PRO 19 2HG PRO 19 52.436 0.060 -6.361 128 2HG PRO 19 1HG PRO 19 51.673 -0.046 -7.956 129 1HD PRO 19 2HD PRO 19 50.901 1.700 -5.952 130 2HD PRO 19 1HD PRO 19 49.868 1.179 -7.295 131 H ILE 20 H ILE 20 50.102 -3.362 -3.902 132 HA ILE 20 HA ILE 20 51.057 -2.418 -1.465 133 HB ILE 20 HB ILE 20 51.080 -5.113 -2.754 134 1HG1 ILE 20 2HG1 ILE 20 48.929 -4.209 -2.049 135 2HG1 ILE 20 1HG1 ILE 20 49.363 -5.607 -1.071 136 1HG2 ILE 20 1HG2 ILE 20 51.713 -6.146 -0.630 137 2HG2 ILE 20 2HG2 ILE 20 52.032 -4.544 0.033 138 3HG2 ILE 20 3HG2 ILE 20 53.010 -5.155 -1.301 139 1HD1 ILE 20 1HD1 ILE 20 49.642 -2.725 -0.254 140 2HD1 ILE 20 2HD1 ILE 20 50.089 -4.120 0.729 141 3HD1 ILE 20 3HD1 ILE 20 48.400 -3.850 0.295 142 H SER 21 H SER 21 53.123 -2.795 -0.420 143 HA SER 21 HA SER 21 55.423 -2.906 -0.261 144 1HB SER 21 2HB SER 21 55.640 -4.132 -2.423 145 2HB SER 21 1HB SER 21 55.550 -2.597 -3.280 146 HG SER 21 HG SER 21 57.521 -3.254 -1.343 147 H TRP 22 H TRP 22 53.388 -0.641 -1.550 148 HA TRP 22 HA TRP 22 55.402 1.505 -1.598 149 1HB TRP 22 2HB TRP 22 52.528 1.409 -2.494 150 2HB TRP 22 1HB TRP 22 53.493 2.877 -2.515 151 HD1 TRP 22 HD1 TRP 22 54.508 -0.668 -3.726 152 HE1 TRP 22 HE1 TRP 22 55.210 -0.491 -6.194 153 HE3 TRP 22 HE3 TRP 22 53.445 4.261 -4.508 154 HZ2 TRP 22 HZ2 TRP 22 55.299 1.479 -8.211 155 HZ3 TRP 22 HZ3 TRP 22 53.866 5.215 -6.740 156 HH2 TRP 22 HH2 TRP 22 54.771 3.855 -8.550 157 H THR 23 H THR 23 53.384 0.141 0.631 158 HA THR 23 HA THR 23 52.458 2.508 1.902 159 HB THR 23 HB THR 23 51.686 1.040 3.684 160 HG1 THR 23 HG1 THR 23 53.257 -0.461 3.944 161 1HG2 THR 23 1HG2 THR 23 51.282 -0.258 0.986 162 2HG2 THR 23 2HG2 THR 23 50.366 1.121 1.602 163 3HG2 THR 23 3HG2 THR 23 50.249 -0.448 2.401 164 H CYS 24 H CYS 24 55.035 0.217 2.587 165 HA CYS 24 HA CYS 24 55.782 1.720 4.938 166 1HB CYS 24 2HB CYS 24 55.381 -0.732 5.054 167 2HB CYS 24 1HB CYS 24 56.797 -0.965 4.036 168 H ASP 25 H ASP 25 56.546 2.643 2.145 169 HA ASP 25 HA ASP 25 59.465 2.469 2.503 170 1HB ASP 25 2HB ASP 25 59.646 3.000 0.056 171 2HB ASP 25 1HB ASP 25 58.943 1.435 0.431 172 H LEU 26 H LEU 26 57.231 4.439 3.391 173 HA LEU 26 HA LEU 26 57.420 6.470 4.327 174 1HB LEU 26 2HB LEU 26 60.107 6.540 2.974 175 2HB LEU 26 1HB LEU 26 59.457 7.921 3.831 176 HG LEU 26 HG LEU 26 59.234 6.119 5.800 177 1HD1 LEU 26 1HD1 LEU 26 61.559 5.135 4.159 178 2HD1 LEU 26 2HD1 LEU 26 60.061 4.259 4.472 179 3HD1 LEU 26 3HD1 LEU 26 61.160 4.630 5.801 180 1HD2 LEU 26 1HD2 LEU 26 61.376 6.929 6.637 181 2HD2 LEU 26 2HD2 LEU 26 60.445 8.236 5.904 182 3HD2 LEU 26 3HD2 LEU 26 61.794 7.513 5.027 183 H ASP 27 H ASP 27 55.652 7.201 3.346 184 HA ASP 27 HA ASP 27 54.610 9.051 2.534 185 1HB ASP 27 2HB ASP 27 56.986 10.050 2.745 186 2HB ASP 27 1HB ASP 27 57.043 9.881 0.994 187 H ASP 28 H ASP 28 54.686 10.281 0.062 188 HA ASP 28 HA ASP 28 53.748 10.154 -1.978 189 1HB ASP 28 2HB ASP 28 55.763 8.753 -2.522 190 2HB ASP 28 1HB ASP 28 54.780 7.324 -2.203 191 H ASP 29 H ASP 29 53.279 7.029 -0.345 192 HA ASP 29 HA ASP 29 50.580 6.717 -1.256 193 1HB ASP 29 2HB ASP 29 52.279 4.941 -0.413 194 2HB ASP 29 1HB ASP 29 51.750 5.418 1.195 195 H CYS 30 H CYS 30 48.888 6.328 0.747 196 HA CYS 30 HA CYS 30 49.121 8.193 2.873 197 1HB CYS 30 2HB CYS 30 47.263 9.725 2.008 198 2HB CYS 30 1HB CYS 30 48.900 9.953 1.406 199 H GLY 31 H GLY 31 48.275 5.533 2.749 200 1HA GLY 31 2HA GLY 31 45.432 5.378 3.043 201 2HA GLY 31 1HA GLY 31 46.606 4.216 3.655 202 H ASP 32 H ASP 32 48.100 5.574 5.393 203 HA ASP 32 HA ASP 32 46.251 6.395 7.502 204 1HB ASP 32 2HB ASP 32 47.948 4.985 8.326 205 2HB ASP 32 1HB ASP 32 49.192 5.766 7.359 206 H ARG 33 H ARG 33 49.135 7.616 5.920 207 HA ARG 33 HA ARG 33 48.152 10.267 5.593 208 1HB ARG 33 2HB ARG 33 50.022 9.647 7.838 209 2HB ARG 33 1HB ARG 33 50.350 11.089 6.886 210 1HG ARG 33 2HG ARG 33 48.450 12.153 7.591 211 2HG ARG 33 1HG ARG 33 47.602 10.644 7.933 212 1HD ARG 33 2HD ARG 33 49.969 11.618 9.514 213 2HD ARG 33 1HD ARG 33 48.296 11.967 9.952 214 HE ARG 33 HE ARG 33 48.947 9.153 9.565 215 1HH1 ARG 33 1HH1 ARG 33 48.698 11.786 11.857 216 2HH1 ARG 33 2HH1 ARG 33 48.391 10.757 13.211 217 1HH2 ARG 33 1HH2 ARG 33 48.495 7.786 11.329 218 2HH2 ARG 33 2HH2 ARG 33 48.280 8.477 12.915 219 H SER 34 H SER 34 51.306 8.743 6.126 220 HA SER 34 HA SER 34 51.677 8.697 3.219 221 1HB SER 34 2HB SER 34 53.854 9.035 5.298 222 2HB SER 34 1HB SER 34 54.079 9.007 3.550 223 HG SER 34 HG SER 34 53.848 11.101 3.718 224 H ASP 35 H ASP 35 51.027 7.015 5.870 225 HA ASP 35 HA ASP 35 50.689 4.815 6.247 226 1HB ASP 35 2HB ASP 35 52.051 4.463 3.597 227 2HB ASP 35 1HB ASP 35 51.456 3.113 4.569 228 H GLU 36 H GLU 36 52.852 6.103 7.449 229 HA GLU 36 HA GLU 36 54.776 3.903 7.712 230 1HB GLU 36 2HB GLU 36 54.800 6.688 8.897 231 2HB GLU 36 1HB GLU 36 56.036 5.474 9.194 232 1HG GLU 36 2HG GLU 36 56.814 7.016 7.538 233 2HG GLU 36 1HG GLU 36 56.542 5.447 6.790 234 H SER 37 H SER 37 52.330 5.630 9.393 235 HA SER 37 HA SER 37 52.575 3.839 11.694 236 1HB SER 37 2HB SER 37 50.830 5.537 12.646 237 2HB SER 37 1HB SER 37 52.525 6.016 12.545 238 HG SER 37 HG SER 37 50.491 6.637 10.644 239 H ALA 38 H ALA 38 50.931 2.488 12.245 240 HA ALA 38 HA ALA 38 48.994 1.348 12.221 241 1HB ALA 38 1HB ALA 38 47.836 3.642 10.655 242 2HB ALA 38 2HB ALA 38 47.917 3.547 12.414 243 3HB ALA 38 3HB ALA 38 46.932 2.393 11.514 244 H SER 39 H SER 39 50.432 2.227 9.259 245 HA SER 39 HA SER 39 49.000 0.050 7.915 246 1HB SER 39 2HB SER 39 50.932 2.049 6.708 247 2HB SER 39 1HB SER 39 49.867 0.945 5.838 248 HG SER 39 HG SER 39 48.895 2.957 5.873 249 H CYS 40 H CYS 40 52.325 1.301 8.225 250 HA CYS 40 HA CYS 40 53.287 -1.448 7.956 251 1HB CYS 40 2HB CYS 40 54.449 0.271 6.606 252 2HB CYS 40 1HB CYS 40 54.935 1.087 8.098 253 H ALA 41 H ALA 41 53.504 1.315 10.160 254 HA ALA 41 HA ALA 41 53.689 1.467 12.415 255 1HB ALA 41 1HB ALA 41 53.492 -0.460 13.870 256 2HB ALA 41 2HB ALA 41 53.701 -1.548 12.497 257 3HB ALA 41 3HB ALA 41 52.266 -0.528 12.605 258 H TYR 42 H TYR 42 55.855 -0.036 10.395 259 HA TYR 42 HA TYR 42 58.083 -0.362 10.334 260 1HB TYR 42 2HB TYR 42 57.858 2.076 12.078 261 2HB TYR 42 1HB TYR 42 59.429 1.412 11.640 262 HD1 TYR 42 HD1 TYR 42 59.524 3.905 10.665 263 HD2 TYR 42 HD2 TYR 42 57.159 0.750 9.073 264 HE1 TYR 42 HE1 TYR 42 59.417 5.075 8.510 265 HE2 TYR 42 HE2 TYR 42 57.035 1.925 6.923 266 HH TYR 42 HH TYR 42 59.023 4.531 6.144 267 HA PRO 43 HA PRO 43 58.696 -2.660 14.314 268 1HB PRO 43 2HB PRO 43 58.040 -5.127 12.964 269 2HB PRO 43 1HB PRO 43 57.250 -4.411 14.370 270 1HG PRO 43 2HG PRO 43 56.079 -4.667 11.898 271 2HG PRO 43 1HG PRO 43 55.603 -3.464 13.106 272 1HD PRO 43 2HD PRO 43 57.331 -3.142 10.687 273 2HD PRO 43 1HD PRO 43 56.124 -2.028 11.368 274 H THR 44 H THR 44 59.101 -3.646 10.962 275 HA THR 44 HA THR 44 61.989 -3.631 11.266 276 HB THR 44 HB THR 44 61.374 -5.985 11.691 277 HG1 THR 44 HG1 THR 44 62.690 -5.369 9.250 278 1HG2 THR 44 1HG2 THR 44 59.276 -6.078 10.449 279 2HG2 THR 44 2HG2 THR 44 60.374 -7.344 9.905 280 3HG2 THR 44 3HG2 THR 44 60.153 -5.893 8.927 281 H CYS 45 H CYS 45 59.545 -2.342 9.888 282 HA CYS 45 HA CYS 45 58.976 -1.337 7.963 283 1HB CYS 45 2HB CYS 45 61.924 -1.671 7.478 284 2HB CYS 45 1HB CYS 45 60.861 -0.801 6.376 285 H PHE 46 H PHE 46 59.051 -4.402 8.075 286 HA PHE 46 HA PHE 46 58.371 -4.604 5.247 287 1HB PHE 46 2HB PHE 46 60.441 -5.712 5.202 288 2HB PHE 46 1HB PHE 46 60.156 -6.507 6.741 289 HD1 PHE 46 HD1 PHE 46 57.550 -6.481 4.118 290 HD2 PHE 46 HD2 PHE 46 60.781 -8.637 5.875 291 HE1 PHE 46 HE1 PHE 46 56.828 -8.516 2.949 292 HE2 PHE 46 HE2 PHE 46 60.058 -10.673 4.707 293 HZ PHE 46 HZ PHE 46 58.078 -10.618 3.248 294 HA PRO 47 HA PRO 47 54.902 -6.659 7.158 295 1HB PRO 47 2HB PRO 47 52.969 -5.029 6.270 296 2HB PRO 47 1HB PRO 47 53.864 -4.681 7.752 297 1HG PRO 47 2HG PRO 47 54.055 -3.397 5.091 298 2HG PRO 47 1HG PRO 47 54.419 -2.731 6.691 299 1HD PRO 47 2HD PRO 47 56.255 -3.768 4.767 300 2HD PRO 47 1HD PRO 47 56.615 -3.187 6.404 301 H LEU 48 H LEU 48 55.536 -5.224 4.053 302 HA LEU 48 HA LEU 48 54.476 -7.502 2.614 303 1HB LEU 48 2HB LEU 48 53.295 -4.735 2.326 304 2HB LEU 48 1HB LEU 48 53.009 -6.053 1.204 305 HG LEU 48 HG LEU 48 52.378 -6.340 4.120 306 1HD1 LEU 48 1HD1 LEU 48 50.070 -5.699 3.620 307 2HD1 LEU 48 2HD1 LEU 48 50.534 -5.296 1.968 308 3HD1 LEU 48 3HD1 LEU 48 51.177 -4.359 3.317 309 1HD2 LEU 48 1HD2 LEU 48 51.320 -7.692 1.638 310 2HD2 LEU 48 2HD2 LEU 48 50.823 -8.042 3.294 311 3HD2 LEU 48 3HD2 LEU 48 52.478 -8.374 2.778 312 H THR 49 H THR 49 56.618 -7.703 1.865 313 HA THR 49 HA THR 49 58.258 -7.537 0.343 314 HB THR 49 HB THR 49 57.607 -6.488 -1.900 315 HG1 THR 49 HG1 THR 49 55.740 -5.376 -0.673 316 1HG2 THR 49 1HG2 THR 49 56.228 -8.417 -2.498 317 2HG2 THR 49 2HG2 THR 49 55.954 -8.751 -0.789 318 3HG2 THR 49 3HG2 THR 49 57.577 -8.893 -1.466 319 H GLN 50 H GLN 50 59.690 -6.299 1.440 320 HA GLN 50 HA GLN 50 59.934 -3.501 0.644 321 1HB GLN 50 2HB GLN 50 59.986 -4.412 3.529 322 2HB GLN 50 1HB GLN 50 60.245 -2.775 2.952 323 1HG GLN 50 2HG GLN 50 57.665 -4.225 2.484 324 2HG GLN 50 1HG GLN 50 57.991 -3.343 3.974 325 1HE2 GLN 50 1HE2 GLN 50 59.576 -1.302 2.561 326 2HE2 GLN 50 2HE2 GLN 50 58.420 -0.299 1.763 327 H PHE 51 H PHE 51 62.041 -2.596 1.372 328 HA PHE 51 HA PHE 51 63.981 -4.564 2.340 329 1HB PHE 51 2HB PHE 51 64.288 -4.347 -0.149 330 2HB PHE 51 1HB PHE 51 64.630 -2.635 0.092 331 HD1 PHE 51 HD1 PHE 51 66.851 -1.988 0.298 332 HD2 PHE 51 HD2 PHE 51 65.746 -5.967 1.326 333 HE1 PHE 51 HE1 PHE 51 69.201 -2.516 0.739 334 HE2 PHE 51 HE2 PHE 51 68.106 -6.503 1.770 335 HZ PHE 51 HZ PHE 51 69.836 -4.777 1.476 336 H THR 52 H THR 52 65.760 -3.566 3.486 337 HA THR 52 HA THR 52 65.106 -0.868 4.428 338 HB THR 52 HB THR 52 66.871 -2.911 5.790 339 HG1 THR 52 HG1 THR 52 64.397 -2.366 6.885 340 1HG2 THR 52 1HG2 THR 52 65.550 -0.391 6.797 341 2HG2 THR 52 2HG2 THR 52 67.266 -0.585 6.444 342 3HG2 THR 52 3HG2 THR 52 66.527 -1.497 7.761 343 H CYS 53 H CYS 53 66.265 0.619 3.408 344 HA CYS 53 HA CYS 53 68.603 0.251 1.957 345 1HB CYS 53 2HB CYS 53 67.243 2.230 1.707 346 2HB CYS 53 1HB CYS 53 67.608 2.720 3.358 347 H ASN 54 H ASN 54 70.779 0.814 2.358 348 HA ASN 54 HA ASN 54 71.695 -0.247 4.833 349 1HB ASN 54 2HB ASN 54 73.156 1.001 2.499 350 2HB ASN 54 1HB ASN 54 73.967 0.259 3.882 351 1HD2 ASN 54 1HD2 ASN 54 72.095 -0.274 1.025 352 2HD2 ASN 54 2HD2 ASN 54 72.330 -1.981 0.936 353 H ASN 55 H ASN 55 70.967 2.935 3.787 354 HA ASN 55 HA ASN 55 72.689 4.197 5.707 355 1HB ASN 55 2HB ASN 55 72.152 6.225 4.756 356 2HB ASN 55 1HB ASN 55 72.005 5.127 3.390 357 1HD2 ASN 55 1HD2 ASN 55 70.807 7.723 3.904 358 2HD2 ASN 55 2HD2 ASN 55 69.107 7.481 3.807 359 H GLY 56 H GLY 56 69.568 2.876 5.685 360 1HA GLY 56 2HA GLY 56 68.665 2.697 8.017 361 2HA GLY 56 1HA GLY 56 68.863 4.438 8.089 362 H ARG 57 H ARG 57 67.895 4.211 5.034 363 HA ARG 57 HA ARG 57 65.184 4.886 5.593 364 1HB ARG 57 2HB ARG 57 66.420 4.038 2.974 365 2HB ARG 57 1HB ARG 57 64.842 4.769 3.160 366 1HG ARG 57 2HG ARG 57 65.720 6.855 3.624 367 2HG ARG 57 1HG ARG 57 67.311 6.195 4.048 368 1HD ARG 57 2HD ARG 57 67.584 5.435 1.723 369 2HD ARG 57 1HD ARG 57 66.047 6.189 1.310 370 HE ARG 57 HE ARG 57 68.581 7.550 1.893 371 1HH1 ARG 57 1HH1 ARG 57 65.188 7.771 1.022 372 2HH1 ARG 57 2HH1 ARG 57 65.331 9.372 0.384 373 1HH2 ARG 57 1HH2 ARG 57 68.788 9.607 1.036 374 2HH2 ARG 57 2HH2 ARG 57 67.401 10.421 0.364 375 H CYS 58 H CYS 58 63.289 3.724 5.070 376 HA CYS 58 HA CYS 58 63.652 0.844 4.605 377 1HB CYS 58 2HB CYS 58 61.167 2.305 5.544 378 2HB CYS 58 1HB CYS 58 61.410 0.563 5.476 379 H ILE 59 H ILE 59 63.299 0.207 2.526 380 HA ILE 59 HA ILE 59 62.054 2.252 0.840 381 HB ILE 59 HB ILE 59 63.574 1.695 -0.969 382 1HG1 ILE 59 2HG1 ILE 59 64.985 -0.064 1.045 383 2HG1 ILE 59 1HG1 ILE 59 64.015 -0.652 -0.303 384 1HG2 ILE 59 1HG2 ILE 59 65.599 2.688 -0.008 385 2HG2 ILE 59 2HG2 ILE 59 64.966 2.394 1.612 386 3HG2 ILE 59 3HG2 ILE 59 64.138 3.517 0.534 387 1HD1 ILE 59 1HD1 ILE 59 65.552 0.459 -1.860 388 2HD1 ILE 59 2HD1 ILE 59 66.345 -0.760 -0.866 389 3HD1 ILE 59 3HD1 ILE 59 66.551 0.952 -0.491 390 H ASN 60 H ASN 60 61.577 1.414 -1.397 391 HA ASN 60 HA ASN 60 59.544 -0.583 -1.174 392 1HB ASN 60 2HB ASN 60 59.522 1.550 -2.591 393 2HB ASN 60 1HB ASN 60 60.596 0.701 -3.699 394 1HD2 ASN 60 1HD2 ASN 60 57.403 1.141 -2.594 395 2HD2 ASN 60 2HD2 ASN 60 56.641 0.023 -3.686 396 H ILE 61 H ILE 61 59.507 -2.651 -2.124 397 HA ILE 61 HA ILE 61 62.059 -3.917 -2.326 398 HB ILE 61 HB ILE 61 59.642 -4.780 -1.568 399 1HG1 ILE 61 2HG1 ILE 61 61.869 -5.899 -1.235 400 2HG1 ILE 61 1HG1 ILE 61 60.522 -7.004 -1.460 401 1HG2 ILE 61 1HG2 ILE 61 58.584 -4.752 -3.693 402 2HG2 ILE 61 2HG2 ILE 61 58.817 -6.437 -3.229 403 3HG2 ILE 61 3HG2 ILE 61 59.885 -5.696 -4.417 404 1HD1 ILE 61 1HD1 ILE 61 61.204 -7.368 -3.767 405 2HD1 ILE 61 2HD1 ILE 61 62.503 -7.756 -2.638 406 3HD1 ILE 61 3HD1 ILE 61 62.547 -6.247 -3.550 407 H ASN 62 H ASN 62 60.154 -2.281 -4.600 408 HA ASN 62 HA ASN 62 60.938 -3.904 -6.875 409 1HB ASN 62 2HB ASN 62 59.280 -1.409 -6.581 410 2HB ASN 62 1HB ASN 62 59.785 -1.991 -8.163 411 1HD2 ASN 62 1HD2 ASN 62 57.673 -2.370 -8.791 412 2HD2 ASN 62 2HD2 ASN 62 56.748 -3.694 -8.181 413 H TRP 63 H TRP 63 62.941 -2.386 -5.211 414 HA TRP 63 HA TRP 63 64.101 -0.713 -7.338 415 1HB TRP 63 2HB TRP 63 64.645 -0.768 -4.366 416 2HB TRP 63 1HB TRP 63 65.561 0.199 -5.516 417 HD1 TRP 63 HD1 TRP 63 61.966 0.234 -6.436 418 HE1 TRP 63 HE1 TRP 63 60.857 2.427 -5.671 419 HE3 TRP 63 HE3 TRP 63 65.642 1.965 -3.364 420 HZ2 TRP 63 HZ2 TRP 63 61.459 4.602 -3.987 421 HZ3 TRP 63 HZ3 TRP 63 65.304 4.107 -2.204 422 HH2 TRP 63 HH2 TRP 63 63.258 5.399 -2.508 423 H ARG 64 H ARG 64 64.196 -3.722 -6.118 424 HA ARG 64 HA ARG 64 66.945 -4.377 -6.074 425 1HB ARG 64 2HB ARG 64 64.878 -5.717 -5.249 426 2HB ARG 64 1HB ARG 64 64.768 -6.287 -6.905 427 1HG ARG 64 2HG ARG 64 66.003 -7.975 -5.997 428 2HG ARG 64 1HG ARG 64 67.307 -6.897 -6.497 429 1HD ARG 64 2HD ARG 64 67.600 -7.775 -4.192 430 2HD ARG 64 1HD ARG 64 67.516 -6.013 -4.254 431 HE ARG 64 HE ARG 64 64.954 -6.721 -3.776 432 1HH1 ARG 64 1HH1 ARG 64 67.978 -7.591 -2.233 433 2HH1 ARG 64 2HH1 ARG 64 67.271 -7.739 -0.661 434 1HH2 ARG 64 1HH2 ARG 64 64.030 -6.919 -1.702 435 2HH2 ARG 64 2HH2 ARG 64 65.019 -7.375 -0.357 436 H CYS 65 H CYS 65 67.927 -3.426 -7.869 437 HA CYS 65 HA CYS 65 66.895 -3.795 -10.517 438 1HB CYS 65 2HB CYS 65 69.249 -2.401 -9.340 439 2HB CYS 65 1HB CYS 65 69.293 -2.800 -11.050 440 H ASP 66 H ASP 66 70.173 -4.373 -9.490 441 HA ASP 66 HA ASP 66 70.354 -6.495 -11.488 442 1HB ASP 66 2HB ASP 66 72.843 -6.099 -11.173 443 2HB ASP 66 1HB ASP 66 71.925 -4.749 -11.837 444 H ASN 67 H ASN 67 71.667 -5.877 -8.210 445 HA ASN 67 HA ASN 67 71.599 -8.760 -7.832 446 1HB ASN 67 2HB ASN 67 73.689 -8.803 -6.824 447 2HB ASN 67 1HB ASN 67 73.912 -7.612 -8.099 448 1HD2 ASN 67 1HD2 ASN 67 73.845 -5.361 -7.518 449 2HD2 ASN 67 2HD2 ASN 67 74.225 -4.880 -5.894 450 H ASP 68 H ASP 68 71.386 -5.605 -6.177 451 HA ASP 68 HA ASP 68 69.478 -6.924 -4.399 452 1HB ASP 68 2HB ASP 68 71.758 -6.619 -3.280 453 2HB ASP 68 1HB ASP 68 71.407 -4.892 -3.295 454 H ASN 69 H ASN 69 69.227 -4.263 -2.881 455 HA ASN 69 HA ASN 69 66.984 -3.683 -4.711 456 1HB ASN 69 2HB ASN 69 66.767 -4.867 -2.401 457 2HB ASN 69 1HB ASN 69 66.904 -3.237 -1.754 458 1HD2 ASN 69 1HD2 ASN 69 65.273 -1.725 -2.253 459 2HD2 ASN 69 2HD2 ASN 69 63.690 -2.238 -2.732 460 H ASP 70 H ASP 70 69.575 -2.066 -4.490 461 HA ASP 70 HA ASP 70 70.072 0.150 -4.836 462 1HB ASP 70 2HB ASP 70 67.827 -0.355 -6.198 463 2HB ASP 70 1HB ASP 70 67.191 0.851 -5.087 464 H CYS 71 H CYS 71 68.638 2.501 -4.327 465 HA CYS 71 HA CYS 71 67.171 2.842 -2.054 466 1HB CYS 71 2HB CYS 71 68.912 1.912 -0.675 467 2HB CYS 71 1HB CYS 71 70.109 2.994 -1.378 468 H GLY 72 H GLY 72 70.256 4.411 -2.948 469 1HA GLY 72 2HA GLY 72 69.821 6.431 -4.495 470 2HA GLY 72 1HA GLY 72 68.792 6.958 -3.172 471 H ASP 73 H ASP 73 70.508 5.981 -1.090 472 HA ASP 73 HA ASP 73 73.069 7.161 -1.448 473 1HB ASP 73 2HB ASP 73 72.984 8.921 0.065 474 2HB ASP 73 1HB ASP 73 71.424 9.060 -0.723 475 H ASN 74 H ASN 74 74.109 5.540 -0.912 476 HA ASN 74 HA ASN 74 75.157 3.935 0.349 477 1HB ASN 74 2HB ASN 74 73.201 4.672 2.550 478 2HB ASN 74 1HB ASN 74 74.563 3.573 2.727 479 1HD2 ASN 74 1HD2 ASN 74 73.528 6.859 2.547 480 2HD2 ASN 74 2HD2 ASN 74 75.057 7.574 2.925 481 H SER 75 H SER 75 73.768 3.120 -1.510 482 HA SER 75 HA SER 75 71.371 1.678 -0.756 483 1HB SER 75 2HB SER 75 72.570 1.790 -3.487 484 2HB SER 75 1HB SER 75 70.876 1.682 -3.013 485 HG SER 75 HG SER 75 72.047 3.840 -3.719 486 H ASP 76 H ASP 76 71.185 -0.339 -2.419 487 HA ASP 76 HA ASP 76 72.726 -2.519 -1.867 488 1HB ASP 76 2HB ASP 76 70.872 -2.884 -3.235 489 2HB ASP 76 1HB ASP 76 71.316 -1.599 -4.353 490 H GLU 77 H GLU 77 73.156 -0.621 -4.846 491 HA GLU 77 HA GLU 77 76.035 -1.123 -4.720 492 1HB GLU 77 2HB GLU 77 75.652 -0.295 -7.270 493 2HB GLU 77 1HB GLU 77 75.607 -1.975 -6.764 494 1HG GLU 77 2HG GLU 77 73.733 -1.443 -8.221 495 2HG GLU 77 1HG GLU 77 73.176 -1.881 -6.609 496 H ALA 78 H ALA 78 73.754 1.349 -5.736 497 HA ALA 78 HA ALA 78 75.116 3.485 -4.476 498 1HB ALA 78 1HB ALA 78 75.505 3.333 -7.466 499 2HB ALA 78 2HB ALA 78 76.764 3.090 -6.256 500 3HB ALA 78 3HB ALA 78 75.990 4.667 -6.417 501 H GLY 79 H GLY 79 73.200 2.732 -7.405 502 1HA GLY 79 2HA GLY 79 70.811 3.853 -6.708 503 2HA GLY 79 1HA GLY 79 71.763 5.227 -7.253 504 H CYS 80 H CYS 80 70.319 2.188 -8.179 505 HA CYS 80 HA CYS 80 70.819 2.674 -11.012 506 1HB CYS 80 2HB CYS 80 71.105 0.411 -10.527 507 2HB CYS 80 1HB CYS 80 69.771 0.383 -9.379 508 H SER 81 H SER 81 68.183 2.470 -8.689 509 HA SER 81 HA SER 81 66.120 2.906 -10.622 510 1HB SER 81 2HB SER 81 65.753 1.679 -8.496 511 2HB SER 81 1HB SER 81 66.018 3.179 -7.608 512 HG SER 81 HG SER 81 64.194 4.047 -8.656 513 H HIS 82 HN HIS 82 65.371 4.754 -11.408 514 HA HIS 82 HA HIS 82 65.692 7.226 -9.901 515 1HB HIS 82 2HB HIS 82 67.645 7.044 -11.459 516 2HB HIS 82 1HB HIS 82 66.518 6.977 -12.809 517 HD1 HIS 82 HD1 HIS 82 64.896 9.229 -12.937 518 HD2 HIS 82 HD2 HIS 82 68.473 9.527 -10.847 519 HE1 HIS 82 HE1 HIS 82 65.423 11.701 -12.778 Start of MODEL 9 1 1H SER 1 1HT SER 1 38.124 -10.874 3.248 2 2H SER 1 2HT SER 1 36.598 -10.159 3.400 3 3H SER 1 3HT SER 1 37.782 -9.876 4.571 4 HA SER 1 HA SER 1 39.136 -8.694 3.013 5 1HB SER 1 2HB SER 1 36.877 -9.132 1.045 6 2HB SER 1 1HB SER 1 38.425 -8.341 0.733 7 HG SER 1 HG SER 1 38.521 -10.461 -0.006 8 H ALA 2 H ALA 2 38.492 -6.446 2.078 9 HA ALA 2 HA ALA 2 36.028 -5.421 3.261 10 1HB ALA 2 1HB ALA 2 37.745 -5.124 4.992 11 2HB ALA 2 2HB ALA 2 37.192 -3.571 4.360 12 3HB ALA 2 3HB ALA 2 38.747 -4.232 3.847 13 H ARG 3 H ARG 3 36.349 -2.754 2.749 14 HA ARG 3 HA ARG 3 36.431 -2.743 -0.165 15 1HB ARG 3 2HB ARG 3 35.217 -0.725 -0.096 16 2HB ARG 3 1HB ARG 3 34.555 -1.676 1.222 17 1HG ARG 3 2HG ARG 3 35.872 -0.407 2.822 18 2HG ARG 3 1HG ARG 3 36.587 0.526 1.503 19 1HD ARG 3 2HD ARG 3 34.194 1.153 0.882 20 2HD ARG 3 1HD ARG 3 33.735 0.509 2.458 21 HE ARG 3 HE ARG 3 35.855 2.439 2.600 22 1HH1 ARG 3 1HH1 ARG 3 32.388 2.016 2.462 23 2HH1 ARG 3 2HH1 ARG 3 32.035 3.566 3.147 24 1HH2 ARG 3 1HH2 ARG 3 35.410 4.514 3.482 25 2HH2 ARG 3 2HH2 ARG 3 33.760 4.992 3.726 26 H THR 4 H THR 4 38.744 -2.713 1.882 27 HA THR 4 HA THR 4 40.108 -0.229 1.366 28 HB THR 4 HB THR 4 41.416 -2.654 2.564 29 HG1 THR 4 HG1 THR 4 40.378 -1.613 4.599 30 1HG2 THR 4 1HG2 THR 4 42.709 -0.570 2.298 31 2HG2 THR 4 2HG2 THR 4 42.480 -0.984 3.996 32 3HG2 THR 4 3HG2 THR 4 41.508 0.291 3.262 33 H CYS 5 H CYS 5 39.455 -1.718 -0.984 34 HA CYS 5 HA CYS 5 40.293 -2.426 -2.946 35 1HB CYS 5 2HB CYS 5 42.793 -1.336 -1.707 36 2HB CYS 5 1HB CYS 5 42.870 -2.210 -3.239 37 HA PRO 6 HA PRO 6 41.153 -6.688 -2.385 38 1HB PRO 6 2HB PRO 6 42.687 -6.864 -4.860 39 2HB PRO 6 1HB PRO 6 41.087 -7.508 -4.495 40 1HG PRO 6 2HG PRO 6 41.543 -5.436 -6.202 41 2HG PRO 6 1HG PRO 6 40.026 -5.664 -5.316 42 1HD PRO 6 2HD PRO 6 42.272 -3.779 -4.798 43 2HD PRO 6 1HD PRO 6 40.531 -3.564 -4.527 44 HA PRO 7 HA PRO 7 45.191 -7.571 -0.724 45 1HB PRO 7 2HB PRO 7 45.140 -10.038 -2.410 46 2HB PRO 7 1HB PRO 7 45.462 -9.866 -0.680 47 1HG PRO 7 2HG PRO 7 43.116 -10.793 -1.517 48 2HG PRO 7 1HG PRO 7 43.207 -9.675 -0.144 49 1HD PRO 7 2HD PRO 7 42.372 -9.150 -2.963 50 2HD PRO 7 1HD PRO 7 41.738 -8.471 -1.450 51 H ASN 8 H ASN 8 47.263 -7.202 -1.256 52 HA ASN 8 HA ASN 8 49.165 -6.851 -2.451 53 1HB ASN 8 2HB ASN 8 48.480 -8.718 -3.978 54 2HB ASN 8 1HB ASN 8 47.652 -7.532 -4.978 55 1HD2 ASN 8 1HD2 ASN 8 48.835 -6.242 -6.338 56 2HD2 ASN 8 2HD2 ASN 8 50.531 -6.430 -6.586 57 H GLN 9 H GLN 9 46.246 -5.285 -2.721 58 HA GLN 9 HA GLN 9 47.733 -2.871 -3.361 59 1HB GLN 9 2HB GLN 9 45.794 -1.943 -4.647 60 2HB GLN 9 1HB GLN 9 46.682 -3.221 -5.456 61 1HG GLN 9 2HG GLN 9 44.383 -4.137 -3.908 62 2HG GLN 9 1HG GLN 9 43.985 -3.061 -5.245 63 1HE2 GLN 9 1HE2 GLN 9 46.722 -5.195 -5.224 64 2HE2 GLN 9 2HE2 GLN 9 46.153 -6.278 -6.439 65 H PHE 10 H PHE 10 46.218 -0.898 -2.882 66 HA PHE 10 HA PHE 10 44.862 -1.336 -0.325 67 1HB PHE 10 2HB PHE 10 47.132 -0.991 0.351 68 2HB PHE 10 1HB PHE 10 47.348 0.307 -0.811 69 HD1 PHE 10 HD1 PHE 10 47.526 2.387 0.045 70 HD2 PHE 10 HD2 PHE 10 45.084 -0.462 2.068 71 HE1 PHE 10 HE1 PHE 10 47.010 4.055 1.791 72 HE2 PHE 10 HE2 PHE 10 44.575 1.202 3.813 73 HZ PHE 10 HZ PHE 10 45.541 3.461 3.672 74 H SER 11 H SER 11 43.547 0.501 0.295 75 HA SER 11 HA SER 11 42.848 2.132 -2.005 76 1HB SER 11 2HB SER 11 40.617 2.327 -1.059 77 2HB SER 11 1HB SER 11 41.069 0.624 -1.143 78 HG SER 11 HG SER 11 41.660 2.014 1.208 79 H CYS 12 H CYS 12 43.837 4.052 -1.861 80 HA CYS 12 HA CYS 12 44.330 5.493 0.485 81 1HB CYS 12 2HB CYS 12 43.785 6.454 -2.320 82 2HB CYS 12 1HB CYS 12 44.131 7.564 -0.999 83 H ALA 13 H ALA 13 43.135 7.247 1.431 84 HA ALA 13 HA ALA 13 41.004 6.463 2.706 85 1HB ALA 13 1HB ALA 13 42.118 8.603 3.097 86 2HB ALA 13 2HB ALA 13 40.361 8.745 3.158 87 3HB ALA 13 3HB ALA 13 41.243 9.296 1.732 88 H SER 14 H SER 14 39.602 5.197 1.663 89 HA SER 14 HA SER 14 37.724 4.577 0.571 90 1HB SER 14 2HB SER 14 36.831 7.279 1.592 91 2HB SER 14 1HB SER 14 35.764 5.955 1.116 92 HG SER 14 HG SER 14 37.525 6.117 3.321 93 H GLY 15 H GLY 15 38.801 4.724 -1.557 94 1HA GLY 15 2HA GLY 15 37.048 5.335 -3.479 95 2HA GLY 15 1HA GLY 15 37.812 6.896 -3.225 96 H ARG 16 H ARG 16 40.451 5.849 -2.715 97 HA ARG 16 HA ARG 16 41.149 5.479 -5.520 98 1HB ARG 16 2HB ARG 16 42.908 6.152 -3.155 99 2HB ARG 16 1HB ARG 16 43.450 6.055 -4.823 100 1HG ARG 16 2HG ARG 16 43.186 8.342 -4.400 101 2HG ARG 16 1HG ARG 16 41.750 7.887 -5.315 102 1HD ARG 16 2HD ARG 16 40.501 7.688 -3.184 103 2HD ARG 16 1HD ARG 16 41.931 8.254 -2.322 104 HE ARG 16 HE ARG 16 41.486 10.204 -4.151 105 1HH1 ARG 16 1HH1 ARG 16 39.475 8.689 -1.709 106 2HH1 ARG 16 2HH1 ARG 16 38.470 10.079 -1.490 107 1HH2 ARG 16 1HH2 ARG 16 40.158 12.057 -3.842 108 2HH2 ARG 16 2HH2 ARG 16 38.854 11.986 -2.706 109 H CYS 17 H CYS 17 43.196 4.058 -5.861 110 HA CYS 17 HA CYS 17 43.252 1.684 -4.190 111 1HB CYS 17 2HB CYS 17 41.389 1.635 -6.132 112 2HB CYS 17 1HB CYS 17 42.789 1.101 -7.065 113 H ILE 18 H ILE 18 45.361 1.371 -3.972 114 HA ILE 18 HA ILE 18 47.157 1.993 -6.230 115 HB ILE 18 HB ILE 18 48.753 2.945 -4.705 116 1HG1 ILE 18 2HG1 ILE 18 47.705 3.194 -2.220 117 2HG1 ILE 18 1HG1 ILE 18 47.066 1.615 -2.665 118 1HG2 ILE 18 1HG2 ILE 18 46.966 4.456 -5.394 119 2HG2 ILE 18 2HG2 ILE 18 47.520 4.835 -3.761 120 3HG2 ILE 18 3HG2 ILE 18 46.005 3.966 -3.997 121 1HD1 ILE 18 1HD1 ILE 18 49.404 0.914 -3.188 122 2HD1 ILE 18 2HD1 ILE 18 49.109 1.299 -1.495 123 3HD1 ILE 18 3HD1 ILE 18 49.951 2.455 -2.526 124 HA PRO 19 HA PRO 19 48.821 -2.128 -5.484 125 1HB PRO 19 2HB PRO 19 51.369 -1.078 -6.530 126 2HB PRO 19 1HB PRO 19 50.348 -2.375 -7.161 127 1HG PRO 19 2HG PRO 19 50.553 -0.009 -8.411 128 2HG PRO 19 1HG PRO 19 49.035 -0.925 -8.390 129 1HD PRO 19 2HD PRO 19 49.838 1.450 -6.746 130 2HD PRO 19 1HD PRO 19 48.278 1.089 -7.516 131 H ILE 20 H ILE 20 49.722 -2.960 -3.640 132 HA ILE 20 HA ILE 20 50.853 -1.239 -1.678 133 HB ILE 20 HB ILE 20 51.059 -4.229 -1.777 134 1HG1 ILE 20 2HG1 ILE 20 48.694 -3.190 -1.837 135 2HG1 ILE 20 1HG1 ILE 20 49.024 -4.421 -0.622 136 1HG2 ILE 20 1HG2 ILE 20 51.305 -4.055 0.667 137 2HG2 ILE 20 2HG2 ILE 20 51.315 -2.299 0.512 138 3HG2 ILE 20 3HG2 ILE 20 52.610 -3.256 -0.210 139 1HD1 ILE 20 1HD1 ILE 20 49.373 -2.672 1.044 140 2HD1 ILE 20 2HD1 ILE 20 47.769 -2.580 0.316 141 3HD1 ILE 20 3HD1 ILE 20 49.029 -1.448 -0.178 142 H SER 21 H SER 21 52.566 -0.302 -2.995 143 HA SER 21 HA SER 21 55.051 -1.636 -2.288 144 1HB SER 21 2HB SER 21 54.707 -2.237 -4.662 145 2HB SER 21 1HB SER 21 54.492 -0.538 -5.062 146 HG SER 21 HG SER 21 56.745 -0.489 -3.912 147 H TRP 22 H TRP 22 53.055 0.739 -1.958 148 HA TRP 22 HA TRP 22 55.064 2.909 -2.060 149 1HB TRP 22 2HB TRP 22 52.111 3.314 -2.518 150 2HB TRP 22 1HB TRP 22 53.396 4.484 -2.763 151 HD1 TRP 22 HD1 TRP 22 55.034 1.892 -4.370 152 HE1 TRP 22 HE1 TRP 22 54.430 1.630 -6.841 153 HE3 TRP 22 HE3 TRP 22 50.696 4.591 -4.430 154 HZ2 TRP 22 HZ2 TRP 22 52.400 2.488 -8.619 155 HZ3 TRP 22 HZ3 TRP 22 49.489 4.839 -6.562 156 HH2 TRP 22 HH2 TRP 22 50.324 3.809 -8.617 157 H THR 23 H THR 23 52.700 1.320 -0.193 158 HA THR 23 HA THR 23 51.806 3.473 1.388 159 HB THR 23 HB THR 23 50.830 1.600 2.776 160 HG1 THR 23 HG1 THR 23 52.636 0.220 1.313 161 1HG2 THR 23 1HG2 THR 23 50.366 1.558 -0.200 162 2HG2 THR 23 2HG2 THR 23 49.580 2.632 0.957 163 3HG2 THR 23 3HG2 THR 23 49.270 0.896 1.009 164 H CYS 24 H CYS 24 52.640 0.698 3.089 165 HA CYS 24 HA CYS 24 53.679 2.141 5.274 166 1HB CYS 24 2HB CYS 24 53.409 -0.791 4.671 167 2HB CYS 24 1HB CYS 24 53.857 -0.151 6.248 168 H ASP 25 H ASP 25 55.520 2.778 3.412 169 HA ASP 25 HA ASP 25 57.884 1.358 4.350 170 1HB ASP 25 2HB ASP 25 58.745 1.053 2.045 171 2HB ASP 25 1HB ASP 25 57.330 0.074 2.402 172 H LEU 26 H LEU 26 56.644 4.078 4.506 173 HA LEU 26 HA LEU 26 57.541 6.086 5.023 174 1HB LEU 26 2HB LEU 26 60.125 4.860 4.082 175 2HB LEU 26 1HB LEU 26 60.005 6.473 4.757 176 HG LEU 26 HG LEU 26 59.341 3.904 6.210 177 1HD1 LEU 26 1HD1 LEU 26 61.339 4.419 7.535 178 2HD1 LEU 26 2HD1 LEU 26 61.673 5.798 6.488 179 3HD1 LEU 26 3HD1 LEU 26 61.730 4.163 5.833 180 1HD2 LEU 26 1HD2 LEU 26 59.402 6.758 7.181 181 2HD2 LEU 26 2HD2 LEU 26 59.149 5.329 8.185 182 3HD2 LEU 26 3HD2 LEU 26 57.962 5.768 6.956 183 H ASP 27 H ASP 27 56.536 5.315 2.283 184 HA ASP 27 HA ASP 27 57.542 7.786 1.031 185 1HB ASP 27 2HB ASP 27 57.977 5.572 -0.232 186 2HB ASP 27 1HB ASP 27 56.249 5.583 -0.566 187 H ASP 28 H ASP 28 55.560 8.264 -0.811 188 HA ASP 28 HA ASP 28 53.277 8.734 0.993 189 1HB ASP 28 2HB ASP 28 54.732 10.713 0.950 190 2HB ASP 28 1HB ASP 28 54.627 10.758 -0.803 191 H ASP 29 H ASP 29 51.793 7.410 0.016 192 HA ASP 29 HA ASP 29 51.209 8.042 -2.795 193 1HB ASP 29 2HB ASP 29 50.347 5.826 -3.124 194 2HB ASP 29 1HB ASP 29 51.950 5.696 -2.414 195 H CYS 30 H CYS 30 49.836 7.452 0.351 196 HA CYS 30 HA CYS 30 47.285 8.542 -0.629 197 1HB CYS 30 2HB CYS 30 47.850 6.938 1.872 198 2HB CYS 30 1HB CYS 30 46.287 7.632 1.456 199 H GLY 31 H GLY 31 49.964 9.098 1.486 200 1HA GLY 31 2HA GLY 31 50.607 11.261 2.138 201 2HA GLY 31 1HA GLY 31 48.960 11.811 1.864 202 H ASP 32 H ASP 32 50.601 9.420 3.940 203 HA ASP 32 HA ASP 32 50.747 9.222 6.207 204 1HB ASP 32 2HB ASP 32 51.120 11.501 6.592 205 2HB ASP 32 1HB ASP 32 49.501 11.953 6.079 206 H ARG 33 H ARG 33 47.770 9.640 4.614 207 HA ARG 33 HA ARG 33 46.120 8.890 6.862 208 1HB ARG 33 2HB ARG 33 45.373 9.197 3.955 209 2HB ARG 33 1HB ARG 33 44.259 9.090 5.312 210 1HG ARG 33 2HG ARG 33 46.300 11.263 5.000 211 2HG ARG 33 1HG ARG 33 44.643 11.390 4.410 212 1HD ARG 33 2HD ARG 33 44.621 12.454 6.506 213 2HD ARG 33 1HD ARG 33 43.920 10.863 6.796 214 HE ARG 33 HE ARG 33 46.784 11.278 7.331 215 1HH1 ARG 33 1HH1 ARG 33 43.548 10.764 8.574 216 2HH1 ARG 33 2HH1 ARG 33 44.091 10.333 10.157 217 1HH2 ARG 33 1HH2 ARG 33 47.508 10.751 9.385 218 2HH2 ARG 33 2HH2 ARG 33 46.364 10.324 10.630 219 H SER 34 H SER 34 47.183 6.897 7.270 220 HA SER 34 HA SER 34 46.695 4.699 7.622 221 1HB SER 34 2HB SER 34 45.036 4.891 5.106 222 2HB SER 34 1HB SER 34 45.155 3.458 6.128 223 HG SER 34 HG SER 34 44.154 4.542 7.768 224 H ASP 35 H ASP 35 48.174 6.068 4.931 225 HA ASP 35 HA ASP 35 49.267 3.545 4.003 226 1HB ASP 35 2HB ASP 35 50.504 4.940 2.370 227 2HB ASP 35 1HB ASP 35 48.766 5.200 2.316 228 H GLU 36 H GLU 36 50.305 6.369 5.747 229 HA GLU 36 HA GLU 36 52.849 5.014 6.304 230 1HB GLU 36 2HB GLU 36 52.090 7.854 6.015 231 2HB GLU 36 1HB GLU 36 53.269 7.491 7.271 232 1HG GLU 36 2HG GLU 36 53.529 6.604 4.415 233 2HG GLU 36 1HG GLU 36 54.254 8.071 5.070 234 H SER 37 H SER 37 52.491 3.754 7.948 235 HA SER 37 HA SER 37 52.611 3.178 10.138 236 1HB SER 37 2HB SER 37 53.852 5.291 10.459 237 2HB SER 37 1HB SER 37 52.326 6.127 10.749 238 HG SER 37 HG SER 37 52.194 4.200 12.410 239 H ALA 38 H ALA 38 49.948 5.108 9.047 240 HA ALA 38 HA ALA 38 48.296 4.559 11.348 241 1HB ALA 38 1HB ALA 38 47.587 5.780 8.686 242 2HB ALA 38 2HB ALA 38 48.055 6.657 10.143 243 3HB ALA 38 3HB ALA 38 46.551 5.740 10.115 244 H SER 39 H SER 39 49.310 2.252 10.085 245 HA SER 39 HA SER 39 46.945 0.694 9.984 246 1HB SER 39 2HB SER 39 46.903 1.580 7.661 247 2HB SER 39 1HB SER 39 48.510 0.908 7.390 248 HG SER 39 HG SER 39 47.529 -0.870 6.888 249 H CYS 40 H CYS 40 50.278 0.688 8.736 250 HA CYS 40 HA CYS 40 50.727 -1.947 9.891 251 1HB CYS 40 2HB CYS 40 52.660 -0.251 8.311 252 2HB CYS 40 1HB CYS 40 52.768 -1.976 8.629 253 H ALA 41 H ALA 41 51.973 -2.313 11.652 254 HA ALA 41 HA ALA 41 52.550 -0.063 13.340 255 1HB ALA 41 1HB ALA 41 53.146 -1.740 15.012 256 2HB ALA 41 2HB ALA 41 53.058 -3.002 13.780 257 3HB ALA 41 3HB ALA 41 51.601 -2.122 14.246 258 H TYR 42 H TYR 42 54.271 -1.740 11.004 259 HA TYR 42 HA TYR 42 56.400 -1.724 10.247 260 1HB TYR 42 2HB TYR 42 56.643 0.689 12.053 261 2HB TYR 42 1HB TYR 42 57.867 0.192 10.892 262 HD1 TYR 42 HD1 TYR 42 56.939 2.874 10.657 263 HD2 TYR 42 HD2 TYR 42 55.126 -0.675 9.165 264 HE1 TYR 42 HE1 TYR 42 55.783 4.191 8.925 265 HE2 TYR 42 HE2 TYR 42 53.976 0.633 7.442 266 HH TYR 42 HH TYR 42 54.756 3.829 6.673 267 HA PRO 43 HA PRO 43 58.176 -4.002 13.823 268 1HB PRO 43 2HB PRO 43 58.744 -6.039 11.810 269 2HB PRO 43 1HB PRO 43 57.812 -6.183 13.300 270 1HG PRO 43 2HG PRO 43 56.674 -6.290 10.841 271 2HG PRO 43 1HG PRO 43 55.831 -5.664 12.270 272 1HD PRO 43 2HD PRO 43 57.162 -4.166 10.043 273 2HD PRO 43 1HD PRO 43 55.631 -3.818 10.876 274 H THR 44 H THR 44 59.134 -3.565 10.496 275 HA THR 44 HA THR 44 61.603 -2.354 11.068 276 HB THR 44 HB THR 44 62.328 -4.649 11.632 277 HG1 THR 44 HG1 THR 44 63.360 -3.522 9.236 278 1HG2 THR 44 1HG2 THR 44 62.393 -6.407 9.930 279 2HG2 THR 44 2HG2 THR 44 61.562 -5.346 8.790 280 3HG2 THR 44 3HG2 THR 44 60.736 -5.898 10.248 281 H CYS 45 H CYS 45 59.272 -1.880 9.589 282 HA CYS 45 HA CYS 45 58.359 -1.416 7.568 283 1HB CYS 45 2HB CYS 45 61.229 -1.664 6.638 284 2HB CYS 45 1HB CYS 45 59.909 -1.144 5.600 285 H PHE 46 H PHE 46 58.870 -2.459 5.034 286 HA PHE 46 HA PHE 46 58.565 -4.238 3.696 287 1HB PHE 46 2HB PHE 46 60.768 -4.889 4.488 288 2HB PHE 46 1HB PHE 46 60.063 -5.675 5.895 289 HD1 PHE 46 HD1 PHE 46 60.832 -7.870 5.570 290 HD2 PHE 46 HD2 PHE 46 58.786 -5.856 2.429 291 HE1 PHE 46 HE1 PHE 46 60.663 -9.983 4.329 292 HE2 PHE 46 HE2 PHE 46 58.618 -7.965 1.181 293 HZ PHE 46 HZ PHE 46 59.559 -10.039 2.131 294 HA PRO 47 HA PRO 47 54.994 -6.276 5.596 295 1HB PRO 47 2HB PRO 47 53.037 -4.432 5.249 296 2HB PRO 47 1HB PRO 47 54.018 -4.517 6.715 297 1HG PRO 47 2HG PRO 47 53.994 -2.483 4.645 298 2HG PRO 47 1HG PRO 47 54.782 -2.449 6.228 299 1HD PRO 47 2HD PRO 47 55.924 -3.073 3.595 300 2HD PRO 47 1HD PRO 47 56.754 -2.666 5.112 301 H LEU 48 H LEU 48 56.241 -5.430 2.836 302 HA LEU 48 HA LEU 48 54.104 -6.478 1.185 303 1HB LEU 48 2HB LEU 48 54.784 -4.584 -0.509 304 2HB LEU 48 1HB LEU 48 53.549 -4.316 0.708 305 HG LEU 48 HG LEU 48 56.038 -3.644 1.866 306 1HD1 LEU 48 1HD1 LEU 48 55.581 -2.272 -0.777 307 2HD1 LEU 48 2HD1 LEU 48 56.870 -3.427 -0.454 308 3HD1 LEU 48 3HD1 LEU 48 56.831 -1.881 0.398 309 1HD2 LEU 48 1HD2 LEU 48 53.746 -1.913 0.919 310 2HD2 LEU 48 2HD2 LEU 48 55.001 -1.424 2.057 311 3HD2 LEU 48 3HD2 LEU 48 53.871 -2.705 2.491 312 H THR 49 H THR 49 57.198 -4.860 0.558 313 HA THR 49 HA THR 49 58.721 -7.069 -0.074 314 HB THR 49 HB THR 49 57.107 -7.509 -1.860 315 HG1 THR 49 HG1 THR 49 58.611 -7.829 -3.427 316 1HG2 THR 49 1HG2 THR 49 56.313 -5.234 -2.274 317 2HG2 THR 49 2HG2 THR 49 56.839 -6.021 -3.761 318 3HG2 THR 49 3HG2 THR 49 57.873 -4.822 -2.987 319 H GLN 50 H GLN 50 60.427 -6.049 0.695 320 HA GLN 50 HA GLN 50 61.222 -3.448 -0.368 321 1HB GLN 50 2HB GLN 50 60.689 -4.063 2.540 322 2HB GLN 50 1HB GLN 50 61.617 -2.675 2.000 323 1HG GLN 50 2HG GLN 50 58.760 -3.199 1.231 324 2HG GLN 50 1HG GLN 50 59.264 -2.180 2.580 325 1HE2 GLN 50 1HE2 GLN 50 60.376 -0.249 2.136 326 2HE2 GLN 50 2HE2 GLN 50 60.243 0.535 0.604 327 H PHE 51 H PHE 51 63.387 -2.884 0.105 328 HA PHE 51 HA PHE 51 65.069 -5.030 1.225 329 1HB PHE 51 2HB PHE 51 65.621 -4.256 -1.100 330 2HB PHE 51 1HB PHE 51 65.903 -2.644 -0.462 331 HD1 PHE 51 HD1 PHE 51 67.189 -6.065 -0.664 332 HD2 PHE 51 HD2 PHE 51 67.917 -2.136 0.771 333 HE1 PHE 51 HE1 PHE 51 69.532 -6.660 -0.216 334 HE2 PHE 51 HE2 PHE 51 70.248 -2.713 1.220 335 HZ PHE 51 HZ PHE 51 71.070 -4.984 0.727 336 H THR 52 H THR 52 66.830 -4.216 2.703 337 HA THR 52 HA THR 52 65.725 -2.063 4.352 338 HB THR 52 HB THR 52 67.665 -4.221 5.203 339 HG1 THR 52 HG1 THR 52 65.403 -4.751 6.298 340 1HG2 THR 52 1HG2 THR 52 65.927 -2.313 6.779 341 2HG2 THR 52 2HG2 THR 52 67.681 -2.227 6.609 342 3HG2 THR 52 3HG2 THR 52 66.944 -3.581 7.465 343 H CYS 53 H CYS 53 66.678 -0.223 3.810 344 HA CYS 53 HA CYS 53 69.289 0.124 2.844 345 1HB CYS 53 2HB CYS 53 67.553 1.767 2.505 346 2HB CYS 53 1HB CYS 53 67.393 2.016 4.240 347 H ASN 54 H ASN 54 71.206 0.116 3.846 348 HA ASN 54 HA ASN 54 71.471 -0.629 6.530 349 1HB ASN 54 2HB ASN 54 73.806 -0.566 6.224 350 2HB ASN 54 1HB ASN 54 73.154 -0.982 4.646 351 1HD2 ASN 54 1HD2 ASN 54 72.364 1.612 3.835 352 2HD2 ASN 54 2HD2 ASN 54 73.778 2.572 3.610 353 H ASN 55 H ASN 55 71.151 2.510 5.142 354 HA ASN 55 HA ASN 55 72.444 3.966 7.193 355 1HB ASN 55 2HB ASN 55 71.787 4.650 4.750 356 2HB ASN 55 1HB ASN 55 70.272 5.140 5.500 357 1HD2 ASN 55 1HD2 ASN 55 73.649 5.748 5.191 358 2HD2 ASN 55 2HD2 ASN 55 73.664 7.286 5.991 359 H GLY 56 H GLY 56 69.678 2.166 7.279 360 1HA GLY 56 2HA GLY 56 68.572 2.019 9.436 361 2HA GLY 56 1HA GLY 56 68.647 3.773 9.528 362 H ARG 57 H ARG 57 67.901 3.384 6.437 363 HA ARG 57 HA ARG 57 65.049 3.685 6.984 364 1HB ARG 57 2HB ARG 57 66.337 3.947 4.276 365 2HB ARG 57 1HB ARG 57 64.798 4.594 4.814 366 1HG ARG 57 2HG ARG 57 65.981 6.505 4.893 367 2HG ARG 57 1HG ARG 57 66.422 5.893 6.491 368 1HD ARG 57 2HD ARG 57 68.484 5.036 5.685 369 2HD ARG 57 1HD ARG 57 68.020 5.315 4.008 370 HE ARG 57 HE ARG 57 68.409 7.556 5.875 371 1HH1 ARG 57 1HH1 ARG 57 69.206 5.873 2.906 372 2HH1 ARG 57 2HH1 ARG 57 70.204 7.151 2.297 373 1HH2 ARG 57 1HH2 ARG 57 69.741 9.246 5.076 374 2HH2 ARG 57 2HH2 ARG 57 70.509 9.068 3.534 375 H CYS 58 H CYS 58 63.652 2.774 5.092 376 HA CYS 58 HA CYS 58 64.620 0.118 4.276 377 1HB CYS 58 2HB CYS 58 62.125 -0.481 4.277 378 2HB CYS 58 1HB CYS 58 62.913 -0.341 5.845 379 H ILE 59 H ILE 59 64.571 -0.217 2.118 380 HA ILE 59 HA ILE 59 63.425 1.968 0.528 381 HB ILE 59 HB ILE 59 65.106 1.267 -1.235 382 1HG1 ILE 59 2HG1 ILE 59 66.421 -0.085 1.131 383 2HG1 ILE 59 1HG1 ILE 59 65.635 -0.930 -0.196 384 1HG2 ILE 59 1HG2 ILE 59 66.926 2.541 -0.171 385 2HG2 ILE 59 2HG2 ILE 59 66.090 2.409 1.376 386 3HG2 ILE 59 3HG2 ILE 59 65.352 3.304 0.046 387 1HD1 ILE 59 1HD1 ILE 59 68.097 -0.842 -0.398 388 2HD1 ILE 59 2HD1 ILE 59 67.997 0.911 -0.523 389 3HD1 ILE 59 3HD1 ILE 59 67.261 -0.107 -1.764 390 H ASN 60 H ASN 60 62.626 1.398 -1.608 391 HA ASN 60 HA ASN 60 60.845 -0.794 -1.494 392 1HB ASN 60 2HB ASN 60 61.689 0.979 -3.788 393 2HB ASN 60 1HB ASN 60 60.470 -0.277 -3.951 394 1HD2 ASN 60 1HD2 ASN 60 59.246 0.105 -1.401 395 2HD2 ASN 60 2HD2 ASN 60 58.410 1.626 -1.450 396 H ILE 61 H ILE 61 60.825 -2.712 -2.715 397 HA ILE 61 HA ILE 61 63.400 -3.917 -2.960 398 HB ILE 61 HB ILE 61 61.256 -5.061 -2.241 399 1HG1 ILE 61 2HG1 ILE 61 61.903 -7.216 -3.264 400 2HG1 ILE 61 1HG1 ILE 61 62.919 -6.352 -4.413 401 1HG2 ILE 61 1HG2 ILE 61 60.805 -5.232 -5.216 402 2HG2 ILE 61 2HG2 ILE 61 59.864 -4.250 -4.095 403 3HG2 ILE 61 3HG2 ILE 61 59.838 -6.008 -3.956 404 1HD1 ILE 61 1HD1 ILE 61 64.295 -5.533 -2.573 405 2HD1 ILE 61 2HD1 ILE 61 64.239 -7.295 -2.615 406 3HD1 ILE 61 3HD1 ILE 61 63.279 -6.408 -1.430 407 H ASN 62 H ASN 62 61.941 -1.798 -4.939 408 HA ASN 62 HA ASN 62 62.862 -3.089 -7.414 409 1HB ASN 62 2HB ASN 62 61.286 -1.517 -8.585 410 2HB ASN 62 1HB ASN 62 60.508 -2.722 -7.569 411 1HD2 ASN 62 1HD2 ASN 62 58.660 -1.631 -7.209 412 2HD2 ASN 62 2HD2 ASN 62 58.565 -0.165 -6.301 413 H TRP 63 H TRP 63 64.503 -1.600 -5.524 414 HA TRP 63 HA TRP 63 65.377 0.637 -7.239 415 1HB TRP 63 2HB TRP 63 66.011 -0.020 -4.347 416 2HB TRP 63 1HB TRP 63 66.831 1.247 -5.253 417 HD1 TRP 63 HD1 TRP 63 63.065 0.778 -5.668 418 HE1 TRP 63 HE1 TRP 63 61.842 2.812 -4.674 419 HE3 TRP 63 HE3 TRP 63 67.032 3.096 -3.447 420 HZ2 TRP 63 HZ2 TRP 63 62.476 5.086 -3.143 421 HZ3 TRP 63 HZ3 TRP 63 66.635 5.200 -2.236 422 HH2 TRP 63 HH2 TRP 63 64.407 6.174 -2.086 423 H ARG 64 H ARG 64 65.662 -2.464 -6.983 424 HA ARG 64 HA ARG 64 68.385 -3.055 -7.452 425 1HB ARG 64 2HB ARG 64 65.887 -4.364 -8.569 426 2HB ARG 64 1HB ARG 64 67.496 -5.061 -8.601 427 1HG ARG 64 2HG ARG 64 66.306 -4.330 -5.975 428 2HG ARG 64 1HG ARG 64 65.740 -5.781 -6.803 429 1HD ARG 64 2HD ARG 64 68.649 -5.208 -6.286 430 2HD ARG 64 1HD ARG 64 67.636 -6.096 -5.154 431 HE ARG 64 HE ARG 64 67.591 -7.898 -6.616 432 1HH1 ARG 64 1HH1 ARG 64 69.264 -5.202 -8.120 433 2HH1 ARG 64 2HH1 ARG 64 70.076 -6.198 -9.285 434 1HH2 ARG 64 1HH2 ARG 64 68.666 -9.196 -8.168 435 2HH2 ARG 64 2HH2 ARG 64 69.727 -8.452 -9.317 436 H CYS 65 H CYS 65 69.175 -1.320 -8.876 437 HA CYS 65 HA CYS 65 67.863 -1.164 -11.462 438 1HB CYS 65 2HB CYS 65 69.270 0.731 -11.952 439 2HB CYS 65 1HB CYS 65 68.590 0.927 -10.342 440 H ASP 66 H ASP 66 70.849 -2.318 -10.081 441 HA ASP 66 HA ASP 66 71.291 -3.815 -12.544 442 1HB ASP 66 2HB ASP 66 73.712 -3.272 -12.550 443 2HB ASP 66 1HB ASP 66 72.683 -1.884 -12.863 444 H ASN 67 H ASN 67 73.407 -3.455 -9.673 445 HA ASN 67 HA ASN 67 73.885 -6.256 -9.694 446 1HB ASN 67 2HB ASN 67 75.624 -4.645 -9.007 447 2HB ASN 67 1HB ASN 67 74.657 -4.218 -7.599 448 1HD2 ASN 67 1HD2 ASN 67 74.724 -5.477 -5.809 449 2HD2 ASN 67 2HD2 ASN 67 75.690 -6.912 -5.679 450 H ASP 68 H ASP 68 72.760 -4.296 -6.936 451 HA ASP 68 HA ASP 68 70.531 -6.169 -6.637 452 1HB ASP 68 2HB ASP 68 72.433 -6.794 -5.045 453 2HB ASP 68 1HB ASP 68 72.096 -5.278 -4.213 454 H ASN 69 H ASN 69 70.231 -4.507 -3.927 455 HA ASN 69 HA ASN 69 68.608 -2.446 -5.307 456 1HB ASN 69 2HB ASN 69 67.576 -4.460 -4.004 457 2HB ASN 69 1HB ASN 69 68.006 -3.533 -2.573 458 1HD2 ASN 69 1HD2 ASN 69 66.983 -1.555 -2.210 459 2HD2 ASN 69 2HD2 ASN 69 65.471 -1.171 -2.960 460 H ASP 70 H ASP 70 69.117 -0.339 -4.877 461 HA ASP 70 HA ASP 70 70.897 0.092 -2.575 462 1HB ASP 70 2HB ASP 70 71.976 1.782 -3.694 463 2HB ASP 70 1HB ASP 70 71.723 0.554 -4.925 464 H CYS 71 H CYS 71 71.000 2.537 -2.016 465 HA CYS 71 HA CYS 71 68.273 3.398 -1.343 466 1HB CYS 71 2HB CYS 71 69.102 2.017 0.487 467 2HB CYS 71 1HB CYS 71 70.586 2.956 0.558 468 H GLY 72 H GLY 72 71.221 4.224 -2.620 469 1HA GLY 72 2HA GLY 72 71.742 6.368 -3.427 470 2HA GLY 72 1HA GLY 72 70.659 7.060 -2.233 471 H ASP 73 H ASP 73 72.229 5.131 -0.262 472 HA ASP 73 HA ASP 73 74.336 7.122 0.208 473 1HB ASP 73 2HB ASP 73 74.191 6.603 2.562 474 2HB ASP 73 1HB ASP 73 72.576 6.949 1.956 475 H ASN 74 H ASN 74 73.771 3.643 0.846 476 HA ASN 74 HA ASN 74 76.144 2.749 -0.360 477 1HB ASN 74 2HB ASN 74 77.009 4.021 1.731 478 2HB ASN 74 1HB ASN 74 76.331 2.692 2.656 479 1HD2 ASN 74 1HD2 ASN 74 77.033 0.669 0.658 480 2HD2 ASN 74 2HD2 ASN 74 78.744 0.469 0.761 481 H SER 75 H SER 75 73.782 1.777 -0.758 482 HA SER 75 HA SER 75 73.100 -0.230 1.221 483 1HB SER 75 2HB SER 75 71.353 1.223 0.182 484 2HB SER 75 1HB SER 75 71.673 0.411 -1.351 485 HG SER 75 HG SER 75 70.716 -1.368 -0.638 486 H ASP 76 H ASP 76 72.405 -0.917 -2.052 487 HA ASP 76 HA ASP 76 73.595 -3.443 -2.104 488 1HB ASP 76 2HB ASP 76 71.900 -3.029 -3.679 489 2HB ASP 76 1HB ASP 76 72.668 -1.546 -4.243 490 H GLU 77 H GLU 77 74.604 -0.472 -3.733 491 HA GLU 77 HA GLU 77 77.394 -1.313 -3.411 492 1HB GLU 77 2HB GLU 77 77.595 0.340 -5.540 493 2HB GLU 77 1HB GLU 77 77.434 -1.401 -5.674 494 1HG GLU 77 2HG GLU 77 75.962 -0.241 -7.230 495 2HG GLU 77 1HG GLU 77 75.042 -1.175 -6.055 496 H ALA 78 H ALA 78 75.307 1.425 -3.954 497 HA ALA 78 HA ALA 78 76.163 2.888 -1.705 498 1HB ALA 78 1HB ALA 78 77.311 4.751 -2.826 499 2HB ALA 78 2HB ALA 78 77.275 3.849 -4.341 500 3HB ALA 78 3HB ALA 78 78.209 3.241 -2.976 501 H GLY 79 H GLY 79 75.450 4.005 -5.011 502 1HA GLY 79 2HA GLY 79 72.749 4.722 -4.265 503 2HA GLY 79 1HA GLY 79 73.846 6.087 -4.421 504 H CYS 80 H CYS 80 71.864 3.865 -6.036 505 HA CYS 80 HA CYS 80 72.904 4.582 -8.681 506 1HB CYS 80 2HB CYS 80 72.356 2.221 -8.186 507 2HB CYS 80 1HB CYS 80 70.698 2.682 -7.844 508 H SER 81 H SER 81 70.845 5.742 -6.397 509 HA SER 81 HA SER 81 68.720 6.655 -8.141 510 1HB SER 81 2HB SER 81 69.217 7.128 -5.192 511 2HB SER 81 1HB SER 81 67.758 7.582 -6.072 512 HG SER 81 HG SER 81 68.757 4.934 -5.805 513 H HIS 82 HN HIS 82 71.189 7.657 -8.920 514 HA HIS 82 HA HIS 82 72.033 9.580 -9.775 515 1HB HIS 82 2HB HIS 82 69.687 10.912 -8.423 516 2HB HIS 82 1HB HIS 82 70.818 11.735 -9.488 517 HD1 HIS 82 HD1 HIS 82 67.799 9.596 -9.521 518 HD2 HIS 82 HD2 HIS 82 70.660 10.931 -12.221 519 HE1 HIS 82 HE1 HIS 82 66.844 9.187 -11.826 Start of MODEL 10 1 1H SER 1 1HT SER 1 38.515 -6.160 -3.332 2 2H SER 1 2HT SER 1 38.262 -4.488 -3.380 3 3H SER 1 3HT SER 1 37.676 -5.468 -4.629 4 HA SER 1 HA SER 1 36.174 -6.570 -3.101 5 1HB SER 1 2HB SER 1 37.611 -6.146 -1.085 6 2HB SER 1 1HB SER 1 37.100 -4.461 -1.123 7 HG SER 1 HG SER 1 35.909 -6.289 0.181 8 H ALA 2 H ALA 2 34.435 -4.784 -1.719 9 HA ALA 2 HA ALA 2 33.059 -3.645 -3.877 10 1HB ALA 2 1HB ALA 2 31.942 -4.320 -1.834 11 2HB ALA 2 2HB ALA 2 31.613 -2.622 -2.183 12 3HB ALA 2 3HB ALA 2 32.787 -3.058 -0.941 13 H ARG 3 H ARG 3 35.446 -2.344 -1.756 14 HA ARG 3 HA ARG 3 35.674 -0.026 -3.486 15 1HB ARG 3 2HB ARG 3 34.215 0.775 -1.685 16 2HB ARG 3 1HB ARG 3 35.398 0.264 -0.486 17 1HG ARG 3 2HG ARG 3 35.446 2.693 -0.939 18 2HG ARG 3 1HG ARG 3 36.983 1.896 -1.286 19 1HD ARG 3 2HD ARG 3 36.187 1.739 -3.691 20 2HD ARG 3 1HD ARG 3 34.891 2.842 -3.233 21 HE ARG 3 HE ARG 3 36.829 4.347 -2.501 22 1HH1 ARG 3 1HH1 ARG 3 37.007 2.088 -5.158 23 2HH1 ARG 3 2HH1 ARG 3 38.155 3.025 -6.051 24 1HH2 ARG 3 1HH2 ARG 3 38.341 5.581 -3.647 25 2HH2 ARG 3 2HH2 ARG 3 38.931 5.025 -5.181 26 H THR 4 H THR 4 36.969 -1.878 -0.777 27 HA THR 4 HA THR 4 39.530 -0.718 -0.827 28 HB THR 4 HB THR 4 40.093 -3.049 0.301 29 HG1 THR 4 HG1 THR 4 38.007 -3.658 1.385 30 1HG2 THR 4 1HG2 THR 4 39.359 -2.120 2.438 31 2HG2 THR 4 2HG2 THR 4 38.317 -0.977 1.593 32 3HG2 THR 4 3HG2 THR 4 40.068 -0.858 1.425 33 H CYS 5 H CYS 5 41.417 -1.372 -1.653 34 HA CYS 5 HA CYS 5 41.438 -2.348 -4.263 35 1HB CYS 5 2HB CYS 5 43.647 -1.853 -2.266 36 2HB CYS 5 1HB CYS 5 43.936 -2.271 -3.956 37 HA PRO 6 HA PRO 6 41.968 -6.780 -4.032 38 1HB PRO 6 2HB PRO 6 44.412 -6.457 -5.687 39 2HB PRO 6 1HB PRO 6 42.966 -7.425 -5.994 40 1HG PRO 6 2HG PRO 6 43.419 -5.166 -7.340 41 2HG PRO 6 1HG PRO 6 41.779 -5.617 -6.837 42 1HD PRO 6 2HD PRO 6 43.646 -3.608 -5.655 43 2HD PRO 6 1HD PRO 6 41.885 -3.525 -5.867 44 HA PRO 7 HA PRO 7 44.780 -7.699 -0.788 45 1HB PRO 7 2HB PRO 7 45.410 -10.269 -2.121 46 2HB PRO 7 1HB PRO 7 44.734 -9.969 -0.516 47 1HG PRO 7 2HG PRO 7 43.201 -10.888 -2.492 48 2HG PRO 7 1HG PRO 7 42.580 -9.697 -1.334 49 1HD PRO 7 2HD PRO 7 43.531 -9.294 -4.143 50 2HD PRO 7 1HD PRO 7 42.141 -8.569 -3.310 51 H ASN 8 H ASN 8 45.951 -7.684 -4.016 52 HA ASN 8 HA ASN 8 48.726 -8.108 -3.303 53 1HB ASN 8 2HB ASN 8 47.477 -8.560 -5.595 54 2HB ASN 8 1HB ASN 8 47.883 -6.874 -5.893 55 1HD2 ASN 8 1HD2 ASN 8 50.421 -7.005 -4.437 56 2HD2 ASN 8 2HD2 ASN 8 51.493 -7.918 -5.442 57 H GLN 9 H GLN 9 46.563 -5.635 -2.960 58 HA GLN 9 HA GLN 9 48.671 -3.682 -2.612 59 1HB GLN 9 2HB GLN 9 47.196 -1.946 -3.817 60 2HB GLN 9 1HB GLN 9 48.159 -3.037 -4.800 61 1HG GLN 9 2HG GLN 9 45.527 -4.112 -4.274 62 2HG GLN 9 1HG GLN 9 45.450 -2.524 -5.038 63 1HE2 GLN 9 1HE2 GLN 9 48.132 -4.677 -5.544 64 2HE2 GLN 9 2HE2 GLN 9 47.771 -5.067 -7.186 65 H PHE 10 H PHE 10 46.990 -1.493 -2.233 66 HA PHE 10 HA PHE 10 45.272 -2.207 0.011 67 1HB PHE 10 2HB PHE 10 47.401 -2.187 1.077 68 2HB PHE 10 1HB PHE 10 47.908 -0.747 0.211 69 HD1 PHE 10 HD1 PHE 10 47.501 1.389 1.055 70 HD2 PHE 10 HD2 PHE 10 45.663 -1.990 2.876 71 HE1 PHE 10 HE1 PHE 10 46.806 2.789 2.941 72 HE2 PHE 10 HE2 PHE 10 44.956 -0.579 4.776 73 HZ PHE 10 HZ PHE 10 45.531 1.824 4.804 74 H SER 11 H SER 11 44.180 -0.203 0.849 75 HA SER 11 HA SER 11 43.751 1.637 -1.357 76 1HB SER 11 2HB SER 11 41.889 0.777 0.852 77 2HB SER 11 1HB SER 11 41.522 2.052 -0.314 78 HG SER 11 HG SER 11 41.825 0.466 -1.963 79 H CYS 12 H CYS 12 45.035 3.321 -0.982 80 HA CYS 12 HA CYS 12 45.354 4.586 1.495 81 1HB CYS 12 2HB CYS 12 46.862 5.285 -0.169 82 2HB CYS 12 1HB CYS 12 45.574 5.584 -1.331 83 H ALA 13 H ALA 13 44.230 6.180 2.497 84 HA ALA 13 HA ALA 13 41.731 5.858 3.072 85 1HB ALA 13 1HB ALA 13 43.169 7.552 4.083 86 2HB ALA 13 2HB ALA 13 41.529 8.140 3.813 87 3HB ALA 13 3HB ALA 13 42.835 8.633 2.731 88 H SER 14 H SER 14 40.234 5.253 1.666 89 HA SER 14 HA SER 14 38.198 5.609 0.764 90 1HB SER 14 2HB SER 14 38.971 8.525 0.739 91 2HB SER 14 1HB SER 14 37.356 7.890 0.427 92 HG SER 14 HG SER 14 37.438 8.447 2.571 93 H GLY 15 H GLY 15 40.781 7.393 -0.939 94 1HA GLY 15 2HA GLY 15 39.196 7.006 -3.400 95 2HA GLY 15 1HA GLY 15 40.296 8.343 -3.138 96 H ARG 16 H ARG 16 42.413 6.472 -2.079 97 HA ARG 16 HA ARG 16 43.434 6.137 -4.799 98 1HB ARG 16 2HB ARG 16 44.943 6.250 -2.189 99 2HB ARG 16 1HB ARG 16 45.670 6.131 -3.782 100 1HG ARG 16 2HG ARG 16 45.871 8.380 -3.250 101 2HG ARG 16 1HG ARG 16 44.449 8.332 -4.290 102 1HD ARG 16 2HD ARG 16 43.003 8.368 -2.316 103 2HD ARG 16 1HD ARG 16 44.424 8.402 -1.275 104 HE ARG 16 HE ARG 16 43.776 10.566 -3.170 105 1HH1 ARG 16 1HH1 ARG 16 44.906 9.436 -0.060 106 2HH1 ARG 16 2HH1 ARG 16 45.108 11.028 0.594 107 1HH2 ARG 16 1HH2 ARG 16 44.027 12.681 -2.303 108 2HH2 ARG 16 2HH2 ARG 16 44.603 12.876 -0.683 109 H CYS 17 H CYS 17 45.162 4.405 -5.026 110 HA CYS 17 HA CYS 17 44.458 1.895 -3.681 111 1HB CYS 17 2HB CYS 17 43.260 2.316 -5.999 112 2HB CYS 17 1HB CYS 17 44.840 1.890 -6.657 113 H ILE 18 H ILE 18 46.456 1.702 -2.701 114 HA ILE 18 HA ILE 18 48.834 2.177 -4.378 115 HB ILE 18 HB ILE 18 50.028 2.858 -2.414 116 1HG1 ILE 18 2HG1 ILE 18 48.225 3.041 -0.328 117 2HG1 ILE 18 1HG1 ILE 18 47.878 1.460 -1.017 118 1HG2 ILE 18 1HG2 ILE 18 47.281 4.078 -2.306 119 2HG2 ILE 18 2HG2 ILE 18 48.567 4.549 -3.423 120 3HG2 ILE 18 3HG2 ILE 18 48.771 4.797 -1.687 121 1HD1 ILE 18 1HD1 ILE 18 49.487 1.199 0.719 122 2HD1 ILE 18 2HD1 ILE 18 50.516 2.453 0.025 123 3HD1 ILE 18 3HD1 ILE 18 50.290 0.921 -0.829 124 HA PRO 19 HA PRO 19 49.723 -2.144 -4.044 125 1HB PRO 19 2HB PRO 19 52.573 -1.294 -4.087 126 2HB PRO 19 1HB PRO 19 51.713 -2.421 -5.143 127 1HG PRO 19 2HG PRO 19 52.370 0.009 -6.011 128 2HG PRO 19 1HG PRO 19 50.813 -0.720 -6.447 129 1HD PRO 19 2HD PRO 19 51.412 1.377 -4.396 130 2HD PRO 19 1HD PRO 19 50.047 1.263 -5.527 131 H ILE 20 H ILE 20 50.519 -3.670 -2.580 132 HA ILE 20 HA ILE 20 50.520 -2.948 0.125 133 HB ILE 20 HB ILE 20 51.153 -5.408 -1.409 134 1HG1 ILE 20 2HG1 ILE 20 48.830 -4.789 -0.928 135 2HG1 ILE 20 1HG1 ILE 20 49.266 -6.312 -0.156 136 1HG2 ILE 20 1HG2 ILE 20 51.608 -5.195 1.545 137 2HG2 ILE 20 2HG2 ILE 20 52.830 -5.507 0.316 138 3HG2 ILE 20 3HG2 ILE 20 51.566 -6.698 0.617 139 1HD1 ILE 20 1HD1 ILE 20 49.124 -3.623 1.196 140 2HD1 ILE 20 2HD1 ILE 20 49.548 -5.152 1.969 141 3HD1 ILE 20 3HD1 ILE 20 47.926 -4.914 1.315 142 H SER 21 H SER 21 52.123 -2.990 1.702 143 HA SER 21 HA SER 21 54.158 -2.822 2.685 144 1HB SER 21 2HB SER 21 55.344 -3.254 -0.054 145 2HB SER 21 1HB SER 21 56.231 -3.254 1.472 146 HG SER 21 HG SER 21 55.367 -5.336 0.430 147 H TRP 22 H TRP 22 53.148 -0.990 0.072 148 HA TRP 22 HA TRP 22 55.010 1.147 0.160 149 1HB TRP 22 2HB TRP 22 52.149 0.997 -0.729 150 2HB TRP 22 1HB TRP 22 53.014 2.525 -0.730 151 HD1 TRP 22 HD1 TRP 22 54.157 -0.971 -1.988 152 HE1 TRP 22 HE1 TRP 22 54.886 -0.703 -4.433 153 HE3 TRP 22 HE3 TRP 22 53.086 3.980 -2.619 154 HZ2 TRP 22 HZ2 TRP 22 55.021 1.351 -6.381 155 HZ3 TRP 22 HZ3 TRP 22 53.544 5.025 -4.791 156 HH2 TRP 22 HH2 TRP 22 54.491 3.737 -6.638 157 H THR 23 H THR 23 52.165 0.430 1.972 158 HA THR 23 HA THR 23 51.696 2.896 3.156 159 HB THR 23 HB THR 23 49.875 1.639 3.555 160 HG1 THR 23 HG1 THR 23 51.131 2.041 5.711 161 1HG2 THR 23 1HG2 THR 23 50.626 -0.380 2.488 162 2HG2 THR 23 2HG2 THR 23 49.918 -0.812 4.046 163 3HG2 THR 23 3HG2 THR 23 51.670 -0.770 3.857 164 H CYS 24 H CYS 24 53.293 0.133 4.673 165 HA CYS 24 HA CYS 24 54.553 1.887 6.566 166 1HB CYS 24 2HB CYS 24 54.935 -1.075 6.180 167 2HB CYS 24 1HB CYS 24 55.447 -0.119 7.567 168 H ASP 25 H ASP 25 55.966 3.120 5.284 169 HA ASP 25 HA ASP 25 58.056 1.647 3.796 170 1HB ASP 25 2HB ASP 25 56.672 2.964 2.291 171 2HB ASP 25 1HB ASP 25 56.907 4.397 3.282 172 H LEU 26 H LEU 26 57.566 4.836 5.280 173 HA LEU 26 HA LEU 26 59.371 4.531 7.374 174 1HB LEU 26 2HB LEU 26 60.855 4.810 5.097 175 2HB LEU 26 1HB LEU 26 60.666 6.488 5.564 176 HG LEU 26 HG LEU 26 61.867 4.298 7.259 177 1HD1 LEU 26 1HD1 LEU 26 63.152 6.712 5.985 178 2HD1 LEU 26 2HD1 LEU 26 63.257 5.067 5.363 179 3HD1 LEU 26 3HD1 LEU 26 63.957 5.459 6.933 180 1HD2 LEU 26 1HD2 LEU 26 60.708 5.910 8.651 181 2HD2 LEU 26 2HD2 LEU 26 61.540 7.237 7.841 182 3HD2 LEU 26 3HD2 LEU 26 62.454 6.089 8.820 183 H ASP 27 H ASP 27 58.005 6.713 5.004 184 HA ASP 27 HA ASP 27 56.939 8.313 7.237 185 1HB ASP 27 2HB ASP 27 58.708 9.396 5.567 186 2HB ASP 27 1HB ASP 27 57.289 9.558 4.539 187 H ASP 28 H ASP 28 54.835 9.463 6.469 188 HA ASP 28 HA ASP 28 53.055 7.348 5.859 189 1HB ASP 28 2HB ASP 28 52.256 9.126 7.257 190 2HB ASP 28 1HB ASP 28 52.599 10.331 6.024 191 H ASP 29 H ASP 29 52.590 6.478 3.973 192 HA ASP 29 HA ASP 29 53.088 7.799 1.485 193 1HB ASP 29 2HB ASP 29 52.993 5.262 1.914 194 2HB ASP 29 1HB ASP 29 51.244 5.448 1.905 195 H CYS 30 H CYS 30 49.985 6.401 2.185 196 HA CYS 30 HA CYS 30 48.907 8.676 3.423 197 1HB CYS 30 2HB CYS 30 47.257 9.379 1.809 198 2HB CYS 30 1HB CYS 30 48.891 9.667 1.234 199 H GLY 31 H GLY 31 48.967 5.604 3.294 200 1HA GLY 31 2HA GLY 31 46.644 4.413 2.538 201 2HA GLY 31 1HA GLY 31 47.572 3.902 3.937 202 H ASP 32 H ASP 32 47.156 5.786 5.786 203 HA ASP 32 HA ASP 32 44.257 6.252 5.849 204 1HB ASP 32 2HB ASP 32 44.877 4.256 7.267 205 2HB ASP 32 1HB ASP 32 45.814 5.349 8.282 206 H ARG 33 H ARG 33 46.499 7.930 5.135 207 HA ARG 33 HA ARG 33 47.206 10.094 5.436 208 1HB ARG 33 2HB ARG 33 45.075 10.321 7.568 209 2HB ARG 33 1HB ARG 33 45.739 11.606 6.558 210 1HG ARG 33 2HG ARG 33 44.473 11.051 4.770 211 2HG ARG 33 1HG ARG 33 44.500 9.327 5.170 212 1HD ARG 33 2HD ARG 33 42.920 11.385 6.722 213 2HD ARG 33 1HD ARG 33 42.248 10.459 5.379 214 HE ARG 33 HE ARG 33 43.151 8.492 6.936 215 1HH1 ARG 33 1HH1 ARG 33 41.337 11.359 7.803 216 2HH1 ARG 33 2HH1 ARG 33 40.521 10.590 9.120 217 1HH2 ARG 33 1HH2 ARG 33 42.100 7.469 8.649 218 2HH2 ARG 33 2HH2 ARG 33 40.973 8.372 9.626 219 H SER 34 H SER 34 48.054 7.841 6.942 220 HA SER 34 HA SER 34 49.959 8.690 8.677 221 1HB SER 34 2HB SER 34 48.069 9.536 10.097 222 2HB SER 34 1HB SER 34 47.440 7.891 10.187 223 HG SER 34 HG SER 34 49.449 7.299 11.172 224 H ASP 35 H ASP 35 49.373 6.756 6.624 225 HA ASP 35 HA ASP 35 48.881 4.169 7.775 226 1HB ASP 35 2HB ASP 35 49.551 3.212 5.671 227 2HB ASP 35 1HB ASP 35 48.509 4.598 5.406 228 H GLU 36 H GLU 36 51.292 5.937 8.663 229 HA GLU 36 HA GLU 36 53.313 3.805 8.763 230 1HB GLU 36 2HB GLU 36 53.366 6.776 9.093 231 2HB GLU 36 1HB GLU 36 54.579 5.814 9.926 232 1HG GLU 36 2HG GLU 36 54.068 5.634 6.976 233 2HG GLU 36 1HG GLU 36 55.261 6.715 7.698 234 H SER 37 H SER 37 50.694 4.634 10.387 235 HA SER 37 HA SER 37 51.714 3.635 12.908 236 1HB SER 37 2HB SER 37 50.264 6.289 12.707 237 2HB SER 37 1HB SER 37 50.665 5.456 14.209 238 HG SER 37 HG SER 37 52.848 5.691 12.641 239 H ALA 38 H ALA 38 50.142 2.686 14.177 240 HA ALA 38 HA ALA 38 48.243 1.626 14.711 241 1HB ALA 38 1HB ALA 38 47.126 3.813 14.456 242 2HB ALA 38 2HB ALA 38 46.076 2.459 14.039 243 3HB ALA 38 3HB ALA 38 46.816 3.424 12.763 244 H SER 39 H SER 39 49.519 1.652 11.673 245 HA SER 39 HA SER 39 48.171 -0.873 11.048 246 1HB SER 39 2HB SER 39 49.488 -0.585 8.849 247 2HB SER 39 1HB SER 39 48.169 0.556 9.127 248 HG SER 39 HG SER 39 50.323 1.425 8.439 249 H CYS 40 H CYS 40 51.411 0.489 10.607 250 HA CYS 40 HA CYS 40 52.576 -1.925 11.765 251 1HB CYS 40 2HB CYS 40 53.727 0.362 10.190 252 2HB CYS 40 1HB CYS 40 54.746 -0.821 11.013 253 H ALA 41 H ALA 41 53.805 -1.943 13.612 254 HA ALA 41 HA ALA 41 53.864 0.530 15.192 255 1HB ALA 41 1HB ALA 41 54.427 -0.924 17.084 256 2HB ALA 41 2HB ALA 41 54.438 -2.319 16.004 257 3HB ALA 41 3HB ALA 41 52.936 -1.442 16.293 258 H TYR 42 H TYR 42 55.635 -1.061 13.011 259 HA TYR 42 HA TYR 42 57.760 -1.161 12.321 260 1HB TYR 42 2HB TYR 42 57.467 1.514 13.511 261 2HB TYR 42 1HB TYR 42 59.128 0.977 13.258 262 HD1 TYR 42 HD1 TYR 42 55.870 0.946 11.411 263 HD2 TYR 42 HD2 TYR 42 60.091 1.499 11.219 264 HE1 TYR 42 HE1 TYR 42 55.693 1.456 9.006 265 HE2 TYR 42 HE2 TYR 42 59.917 2.006 8.828 266 HH TYR 42 HH TYR 42 57.053 2.765 7.322 267 HA PRO 43 HA PRO 43 59.893 -2.919 15.924 268 1HB PRO 43 2HB PRO 43 60.015 -5.447 15.015 269 2HB PRO 43 1HB PRO 43 58.607 -4.853 15.902 270 1HG PRO 43 2HG PRO 43 58.968 -5.234 12.963 271 2HG PRO 43 1HG PRO 43 57.549 -5.566 13.973 272 1HD PRO 43 2HD PRO 43 57.866 -3.312 12.409 273 2HD PRO 43 1HD PRO 43 56.808 -3.410 13.828 274 H THR 44 H THR 44 60.081 -3.065 12.475 275 HA THR 44 HA THR 44 62.936 -2.559 12.572 276 HB THR 44 HB THR 44 63.169 -4.098 10.517 277 HG1 THR 44 HG1 THR 44 61.466 -5.943 11.253 278 1HG2 THR 44 1HG2 THR 44 63.640 -6.056 11.888 279 2HG2 THR 44 2HG2 THR 44 62.715 -5.362 13.219 280 3HG2 THR 44 3HG2 THR 44 64.210 -4.591 12.689 281 H CYS 45 H CYS 45 60.877 -3.420 9.911 282 HA CYS 45 HA CYS 45 60.477 -0.708 9.025 283 1HB CYS 45 2HB CYS 45 62.254 -2.561 7.434 284 2HB CYS 45 1HB CYS 45 61.540 -1.090 6.789 285 H PHE 46 H PHE 46 60.632 -3.961 7.687 286 HA PHE 46 HA PHE 46 58.635 -3.375 5.762 287 1HB PHE 46 2HB PHE 46 59.182 -5.367 4.777 288 2HB PHE 46 1HB PHE 46 60.639 -5.097 5.721 289 HD1 PHE 46 HD1 PHE 46 57.739 -7.165 5.202 290 HD2 PHE 46 HD2 PHE 46 61.007 -6.389 7.809 291 HE1 PHE 46 HE1 PHE 46 57.403 -9.360 6.245 292 HE2 PHE 46 HE2 PHE 46 60.686 -8.590 8.863 293 HZ PHE 46 HZ PHE 46 58.886 -10.082 8.082 294 HA PRO 47 HA PRO 47 55.136 -5.102 7.974 295 1HB PRO 47 2HB PRO 47 53.242 -4.261 6.315 296 2HB PRO 47 1HB PRO 47 54.088 -3.105 7.352 297 1HG PRO 47 2HG PRO 47 54.490 -3.692 4.445 298 2HG PRO 47 1HG PRO 47 54.490 -2.129 5.281 299 1HD PRO 47 2HD PRO 47 56.757 -3.575 4.581 300 2HD PRO 47 1HD PRO 47 56.704 -2.305 5.822 301 H LEU 48 H LEU 48 56.200 -5.510 4.725 302 HA LEU 48 HA LEU 48 55.074 -8.151 4.500 303 1HB LEU 48 2HB LEU 48 54.120 -5.855 2.775 304 2HB LEU 48 1HB LEU 48 53.986 -7.537 2.267 305 HG LEU 48 HG LEU 48 52.913 -7.403 4.877 306 1HD1 LEU 48 1HD1 LEU 48 51.106 -5.777 4.581 307 2HD1 LEU 48 2HD1 LEU 48 51.846 -5.227 3.078 308 3HD1 LEU 48 3HD1 LEU 48 52.689 -5.000 4.611 309 1HD2 LEU 48 1HD2 LEU 48 50.852 -8.076 3.745 310 2HD2 LEU 48 2HD2 LEU 48 52.249 -8.963 3.133 311 3HD2 LEU 48 3HD2 LEU 48 51.563 -7.639 2.190 312 H THR 49 H THR 49 56.346 -5.642 2.282 313 HA THR 49 HA THR 49 58.599 -7.353 1.640 314 HB THR 49 HB THR 49 58.216 -6.968 -0.829 315 HG1 THR 49 HG1 THR 49 56.255 -6.293 -1.532 316 1HG2 THR 49 1HG2 THR 49 56.153 -8.656 0.583 317 2HG2 THR 49 2HG2 THR 49 57.802 -9.150 0.199 318 3HG2 THR 49 3HG2 THR 49 56.654 -8.824 -1.100 319 H GLN 50 H GLN 50 59.913 -5.890 2.528 320 HA GLN 50 HA GLN 50 60.251 -3.325 1.159 321 1HB GLN 50 2HB GLN 50 60.255 -3.798 4.143 322 2HB GLN 50 1HB GLN 50 60.893 -2.345 3.396 323 1HG GLN 50 2HG GLN 50 58.059 -3.239 3.002 324 2HG GLN 50 1HG GLN 50 58.560 -2.232 4.360 325 1HE2 GLN 50 1HE2 GLN 50 59.288 -0.141 3.970 326 2HE2 GLN 50 2HE2 GLN 50 58.943 0.690 2.498 327 H PHE 51 H PHE 51 62.385 -2.544 1.163 328 HA PHE 51 HA PHE 51 64.471 -4.450 2.000 329 1HB PHE 51 2HB PHE 51 64.419 -3.784 -0.418 330 2HB PHE 51 1HB PHE 51 64.648 -2.115 0.065 331 HD1 PHE 51 HD1 PHE 51 66.829 -1.580 1.366 332 HD2 PHE 51 HD2 PHE 51 66.244 -5.121 -0.908 333 HE1 PHE 51 HE1 PHE 51 69.260 -1.865 1.202 334 HE2 PHE 51 HE2 PHE 51 68.669 -5.417 -1.077 335 HZ PHE 51 HZ PHE 51 70.189 -3.793 -0.021 336 H THR 52 H THR 52 66.172 -3.599 3.327 337 HA THR 52 HA THR 52 65.510 -1.029 4.580 338 HB THR 52 HB THR 52 67.134 -3.292 5.764 339 HG1 THR 52 HG1 THR 52 64.441 -2.959 5.501 340 1HG2 THR 52 1HG2 THR 52 67.608 -1.068 6.702 341 2HG2 THR 52 2HG2 THR 52 66.797 -2.108 7.872 342 3HG2 THR 52 3HG2 THR 52 65.889 -0.849 7.036 343 H CYS 53 H CYS 53 66.724 0.482 3.522 344 HA CYS 53 HA CYS 53 69.295 0.201 2.500 345 1HB CYS 53 2HB CYS 53 68.050 2.588 3.851 346 2HB CYS 53 1HB CYS 53 69.561 2.651 2.954 347 H ASN 54 H ASN 54 71.297 0.052 3.310 348 HA ASN 54 HA ASN 54 71.675 -0.945 5.866 349 1HB ASN 54 2HB ASN 54 74.150 -0.494 5.406 350 2HB ASN 54 1HB ASN 54 73.286 -1.561 4.306 351 1HD2 ASN 54 1HD2 ASN 54 73.142 -1.054 2.215 352 2HD2 ASN 54 2HD2 ASN 54 73.842 0.361 1.501 353 H ASN 55 H ASN 55 71.733 2.387 4.837 354 HA ASN 55 HA ASN 55 73.143 3.284 7.144 355 1HB ASN 55 2HB ASN 55 72.019 4.517 4.742 356 2HB ASN 55 1HB ASN 55 71.948 5.536 6.175 357 1HD2 ASN 55 1HD2 ASN 55 74.053 3.800 3.997 358 2HD2 ASN 55 2HD2 ASN 55 75.494 4.654 4.412 359 H GLY 56 H GLY 56 70.191 1.981 7.003 360 1HA GLY 56 2HA GLY 56 69.052 1.760 9.108 361 2HA GLY 56 1HA GLY 56 69.454 3.436 9.454 362 H ARG 57 H ARG 57 68.493 3.147 6.281 363 HA ARG 57 HA ARG 57 65.887 4.275 6.936 364 1HB ARG 57 2HB ARG 57 67.254 4.051 4.245 365 2HB ARG 57 1HB ARG 57 65.736 4.869 4.548 366 1HG ARG 57 2HG ARG 57 67.424 6.513 4.350 367 2HG ARG 57 1HG ARG 57 66.969 6.428 6.051 368 1HD ARG 57 2HD ARG 57 68.966 5.517 6.679 369 2HD ARG 57 1HD ARG 57 69.214 4.719 5.129 370 HE ARG 57 HE ARG 57 70.022 6.769 4.234 371 1HH1 ARG 57 1HH1 ARG 57 69.466 6.860 7.695 372 2HH1 ARG 57 2HH1 ARG 57 70.587 8.148 7.967 373 1HH2 ARG 57 1HH2 ARG 57 71.534 8.402 4.582 374 2HH2 ARG 57 2HH2 ARG 57 71.763 9.047 6.184 375 H CYS 58 H CYS 58 63.971 3.462 6.008 376 HA CYS 58 HA CYS 58 64.125 0.664 5.118 377 1HB CYS 58 2HB CYS 58 61.652 2.146 6.029 378 2HB CYS 58 1HB CYS 58 61.894 0.408 5.921 379 H ILE 59 H ILE 59 63.438 0.186 3.047 380 HA ILE 59 HA ILE 59 62.060 2.310 1.599 381 HB ILE 59 HB ILE 59 63.332 1.712 -0.470 382 1HG1 ILE 59 2HG1 ILE 59 65.325 0.485 1.433 383 2HG1 ILE 59 1HG1 ILE 59 64.163 -0.477 0.528 384 1HG2 ILE 59 1HG2 ILE 59 63.770 3.735 0.778 385 2HG2 ILE 59 2HG2 ILE 59 65.266 3.077 0.113 386 3HG2 ILE 59 3HG2 ILE 59 64.891 2.870 1.825 387 1HD1 ILE 59 1HD1 ILE 59 65.106 0.320 -1.564 388 2HD1 ILE 59 2HD1 ILE 59 66.342 -0.436 -0.558 389 3HD1 ILE 59 3HD1 ILE 59 66.260 1.322 -0.677 390 H ASN 60 H ASN 60 60.968 1.527 -0.399 391 HA ASN 60 HA ASN 60 59.458 -0.812 0.119 392 1HB ASN 60 2HB ASN 60 59.777 0.722 -2.467 393 2HB ASN 60 1HB ASN 60 58.579 -0.530 -2.186 394 1HD2 ASN 60 1HD2 ASN 60 57.990 0.310 0.530 395 2HD2 ASN 60 2HD2 ASN 60 57.113 1.799 0.402 396 H ILE 61 H ILE 61 59.461 -2.834 -0.930 397 HA ILE 61 HA ILE 61 61.997 -3.816 -1.787 398 HB ILE 61 HB ILE 61 60.042 -5.150 -0.726 399 1HG1 ILE 61 2HG1 ILE 61 60.794 -7.224 -1.901 400 2HG1 ILE 61 1HG1 ILE 61 61.624 -6.210 -3.075 401 1HG2 ILE 61 1HG2 ILE 61 58.642 -6.326 -2.414 402 2HG2 ILE 61 2HG2 ILE 61 59.235 -5.198 -3.630 403 3HG2 ILE 61 3HG2 ILE 61 58.287 -4.604 -2.266 404 1HD1 ILE 61 1HD1 ILE 61 63.182 -7.047 -1.439 405 2HD1 ILE 61 2HD1 ILE 61 62.215 -6.362 -0.133 406 3HD1 ILE 61 3HD1 ILE 61 63.022 -5.299 -1.287 407 H ASN 62 H ASN 62 59.903 -1.817 -3.261 408 HA ASN 62 HA ASN 62 59.920 -3.031 -5.928 409 1HB ASN 62 2HB ASN 62 58.334 -0.724 -4.778 410 2HB ASN 62 1HB ASN 62 58.169 -1.341 -6.419 411 1HD2 ASN 62 1HD2 ASN 62 56.452 -1.231 -3.869 412 2HD2 ASN 62 2HD2 ASN 62 55.796 -2.829 -3.765 413 H TRP 63 H TRP 63 62.165 -1.466 -4.549 414 HA TRP 63 HA TRP 63 62.461 0.707 -6.517 415 1HB TRP 63 2HB TRP 63 63.784 0.252 -3.832 416 2HB TRP 63 1HB TRP 63 64.285 1.512 -4.954 417 HD1 TRP 63 HD1 TRP 63 60.546 0.880 -4.595 418 HE1 TRP 63 HE1 TRP 63 59.470 2.874 -3.365 419 HE3 TRP 63 HE3 TRP 63 64.797 3.345 -3.164 420 HZ2 TRP 63 HZ2 TRP 63 60.307 5.177 -1.988 421 HZ3 TRP 63 HZ3 TRP 63 64.563 5.445 -1.893 422 HH2 TRP 63 HH2 TRP 63 62.367 6.337 -1.319 423 H ARG 64 H ARG 64 63.010 -2.295 -6.596 424 HA ARG 64 HA ARG 64 65.732 -2.773 -7.053 425 1HB ARG 64 2HB ARG 64 63.331 -4.022 -8.413 426 2HB ARG 64 1HB ARG 64 64.966 -4.660 -8.467 427 1HG ARG 64 2HG ARG 64 63.508 -4.276 -5.874 428 2HG ARG 64 1HG ARG 64 63.316 -5.732 -6.848 429 1HD ARG 64 2HD ARG 64 65.738 -6.123 -6.724 430 2HD ARG 64 1HD ARG 64 65.922 -4.673 -5.735 431 HE ARG 64 HE ARG 64 64.229 -5.996 -4.232 432 1HH1 ARG 64 1HH1 ARG 64 66.930 -7.313 -6.036 433 2HH1 ARG 64 2HH1 ARG 64 67.369 -8.443 -4.792 434 1HH2 ARG 64 1HH2 ARG 64 64.780 -7.530 -2.623 435 2HH2 ARG 64 2HH2 ARG 64 66.138 -8.574 -2.864 436 H CYS 65 H CYS 65 66.615 -0.988 -8.200 437 HA CYS 65 HA CYS 65 65.613 -0.358 -10.826 438 1HB CYS 65 2HB CYS 65 68.095 0.528 -9.356 439 2HB CYS 65 1HB CYS 65 67.635 1.118 -10.947 440 H ASP 66 H ASP 66 68.322 -2.019 -9.417 441 HA ASP 66 HA ASP 66 69.128 -2.938 -12.094 442 1HB ASP 66 2HB ASP 66 70.946 -2.367 -9.739 443 2HB ASP 66 1HB ASP 66 71.440 -2.831 -11.366 444 H ASN 67 H ASN 67 69.819 -3.748 -8.677 445 HA ASN 67 HA ASN 67 69.307 -6.544 -9.358 446 1HB ASN 67 2HB ASN 67 71.661 -6.431 -9.178 447 2HB ASN 67 1HB ASN 67 71.582 -5.366 -7.781 448 1HD2 ASN 67 1HD2 ASN 67 71.426 -6.192 -5.795 449 2HD2 ASN 67 2HD2 ASN 67 71.417 -7.884 -5.433 450 H ASP 68 H ASP 68 69.984 -4.696 -6.418 451 HA ASP 68 HA ASP 68 67.562 -5.835 -5.199 452 1HB ASP 68 2HB ASP 68 70.266 -5.293 -4.177 453 2HB ASP 68 1HB ASP 68 68.981 -4.709 -3.124 454 H ASN 69 H ASN 69 67.763 -3.761 -3.047 455 HA ASN 69 HA ASN 69 66.561 -1.578 -4.631 456 1HB ASN 69 2HB ASN 69 65.897 -2.320 -1.779 457 2HB ASN 69 1HB ASN 69 65.074 -1.135 -2.780 458 1HD2 ASN 69 1HD2 ASN 69 63.798 -1.860 -4.485 459 2HD2 ASN 69 2HD2 ASN 69 63.121 -3.456 -4.481 460 H ASP 70 H ASP 70 67.087 0.546 -4.143 461 HA ASP 70 HA ASP 70 68.758 1.004 -1.779 462 1HB ASP 70 2HB ASP 70 70.454 2.014 -2.899 463 2HB ASP 70 1HB ASP 70 69.939 0.907 -4.160 464 H CYS 71 H CYS 71 69.104 3.725 -1.988 465 HA CYS 71 HA CYS 71 66.453 4.865 -2.289 466 1HB CYS 71 2HB CYS 71 66.674 5.820 0.095 467 2HB CYS 71 1HB CYS 71 66.124 4.161 -0.098 468 H GLY 72 H GLY 72 69.357 5.843 -0.453 469 1HA GLY 72 2HA GLY 72 70.186 7.639 -2.539 470 2HA GLY 72 1HA GLY 72 69.455 8.467 -1.175 471 H ASP 73 H ASP 73 71.079 5.628 -0.269 472 HA ASP 73 HA ASP 73 73.383 7.236 0.591 473 1HB ASP 73 2HB ASP 73 72.577 4.551 1.721 474 2HB ASP 73 1HB ASP 73 73.671 5.738 2.420 475 H ASN 74 H ASN 74 72.892 3.776 0.213 476 HA ASN 74 HA ASN 74 74.211 3.293 -2.157 477 1HB ASN 74 2HB ASN 74 76.174 4.265 -0.769 478 2HB ASN 74 1HB ASN 74 76.100 2.762 0.141 479 1HD2 ASN 74 1HD2 ASN 74 75.449 1.103 -2.170 480 2HD2 ASN 74 2HD2 ASN 74 76.889 1.006 -3.114 481 H SER 75 H SER 75 72.175 2.024 -1.708 482 HA SER 75 HA SER 75 72.568 -0.209 0.089 483 1HB SER 75 2HB SER 75 70.091 0.457 -1.474 484 2HB SER 75 1HB SER 75 70.224 -0.665 -0.118 485 HG SER 75 HG SER 75 69.432 1.598 0.270 486 H ASP 76 H ASP 76 70.729 -0.465 -2.857 487 HA ASP 76 HA ASP 76 71.895 -2.925 -3.572 488 1HB ASP 76 2HB ASP 76 69.691 -2.290 -4.386 489 2HB ASP 76 1HB ASP 76 70.397 -0.968 -5.318 490 H GLU 77 H GLU 77 72.173 0.279 -5.070 491 HA GLU 77 HA GLU 77 74.924 -0.261 -5.822 492 1HB GLU 77 2HB GLU 77 74.657 -0.073 -8.130 493 2HB GLU 77 1HB GLU 77 73.293 -1.059 -7.643 494 1HG GLU 77 2HG GLU 77 73.280 1.837 -8.452 495 2HG GLU 77 1HG GLU 77 72.522 0.477 -9.271 496 H ALA 78 H ALA 78 72.298 1.969 -5.523 497 HA ALA 78 HA ALA 78 72.181 4.140 -4.919 498 1HB ALA 78 1HB ALA 78 74.024 3.682 -3.360 499 2HB ALA 78 2HB ALA 78 74.080 5.319 -4.013 500 3HB ALA 78 3HB ALA 78 75.180 4.086 -4.631 501 H GLY 79 H GLY 79 71.732 3.850 -7.402 502 1HA GLY 79 2HA GLY 79 72.083 6.242 -8.599 503 2HA GLY 79 1HA GLY 79 73.562 5.400 -9.036 504 H CYS 80 H CYS 80 70.042 4.820 -8.968 505 HA CYS 80 HA CYS 80 69.856 2.875 -10.908 506 1HB CYS 80 2HB CYS 80 67.882 5.142 -10.566 507 2HB CYS 80 1HB CYS 80 67.549 3.553 -11.237 508 H SER 81 H SER 81 70.605 6.222 -11.336 509 HA SER 81 HA SER 81 71.125 5.779 -14.136 510 1HB SER 81 2HB SER 81 69.155 7.920 -13.292 511 2HB SER 81 1HB SER 81 69.786 7.695 -14.923 512 HG SER 81 HG SER 81 68.827 5.358 -14.150 513 H HIS 82 HN HIS 82 70.766 8.313 -11.670 514 HA HIS 82 HA HIS 82 73.555 8.921 -11.747 515 1HB HIS 82 2HB HIS 82 73.168 11.375 -12.270 516 2HB HIS 82 1HB HIS 82 73.043 10.275 -13.634 517 HD1 HIS 82 HD1 HIS 82 70.344 11.260 -11.114 518 HD2 HIS 82 HD2 HIS 82 71.170 11.405 -15.188 519 HE1 HIS 82 HE1 HIS 82 68.293 12.254 -12.227 Start of MODEL 11 1 1H SER 1 1HT SER 1 34.418 0.493 -11.067 2 2H SER 1 2HT SER 1 35.114 -0.983 -10.623 3 3H SER 1 3HT SER 1 36.070 0.412 -10.699 4 HA SER 1 HA SER 1 34.987 1.368 -8.847 5 1HB SER 1 2HB SER 1 33.227 -1.097 -8.831 6 2HB SER 1 1HB SER 1 33.116 0.283 -7.737 7 HG SER 1 HG SER 1 31.619 0.238 -9.601 8 H ALA 2 H ALA 2 35.783 0.967 -6.759 9 HA ALA 2 HA ALA 2 36.760 -1.670 -6.080 10 1HB ALA 2 1HB ALA 2 38.683 0.637 -6.387 11 2HB ALA 2 2HB ALA 2 38.611 -0.793 -7.416 12 3HB ALA 2 3HB ALA 2 39.072 -0.951 -5.722 13 H ARG 3 H ARG 3 37.706 -1.675 -3.862 14 HA ARG 3 HA ARG 3 37.021 0.633 -2.223 15 1HB ARG 3 2HB ARG 3 35.677 -2.001 -2.071 16 2HB ARG 3 1HB ARG 3 36.165 -1.297 -0.534 17 1HG ARG 3 2HG ARG 3 34.923 0.759 -1.136 18 2HG ARG 3 1HG ARG 3 34.366 -0.052 -2.603 19 1HD ARG 3 2HD ARG 3 33.199 -1.700 -1.333 20 2HD ARG 3 1HD ARG 3 33.916 -1.128 0.172 21 HE ARG 3 HE ARG 3 32.522 0.999 -0.974 22 1HH1 ARG 3 1HH1 ARG 3 31.843 -2.141 0.405 23 2HH1 ARG 3 2HH1 ARG 3 30.279 -1.693 0.999 24 1HH2 ARG 3 1HH2 ARG 3 30.454 1.609 -0.187 25 2HH2 ARG 3 2HH2 ARG 3 29.487 0.451 0.664 26 H THR 4 H THR 4 38.556 -2.538 -2.462 27 HA THR 4 HA THR 4 40.440 -1.696 -0.369 28 HB THR 4 HB THR 4 40.998 -4.173 -0.259 29 HG1 THR 4 HG1 THR 4 40.093 -5.192 -1.915 30 1HG2 THR 4 1HG2 THR 4 39.649 -3.074 1.453 31 2HG2 THR 4 2HG2 THR 4 39.046 -4.701 1.140 32 3HG2 THR 4 3HG2 THR 4 38.197 -3.303 0.479 33 H CYS 5 H CYS 5 40.225 -1.580 -3.543 34 HA CYS 5 HA CYS 5 41.695 -1.347 -5.250 35 1HB CYS 5 2HB CYS 5 43.196 -0.788 -2.962 36 2HB CYS 5 1HB CYS 5 44.180 -1.946 -3.853 37 HA PRO 6 HA PRO 6 42.548 -5.465 -6.671 38 1HB PRO 6 2HB PRO 6 44.586 -5.140 -8.425 39 2HB PRO 6 1HB PRO 6 42.942 -4.589 -8.765 40 1HG PRO 6 2HG PRO 6 45.307 -3.024 -7.812 41 2HG PRO 6 1HG PRO 6 44.102 -2.596 -9.041 42 1HD PRO 6 2HD PRO 6 44.030 -1.647 -6.500 43 2HD PRO 6 1HD PRO 6 42.570 -1.905 -7.475 44 HA PRO 7 HA PRO 7 45.815 -7.605 -4.519 45 1HB PRO 7 2HB PRO 7 46.772 -8.610 -7.162 46 2HB PRO 7 1HB PRO 7 46.410 -9.505 -5.681 47 1HG PRO 7 2HG PRO 7 44.712 -9.540 -7.728 48 2HG PRO 7 1HG PRO 7 44.118 -9.461 -6.059 49 1HD PRO 7 2HD PRO 7 44.273 -7.313 -8.122 50 2HD PRO 7 1HD PRO 7 43.055 -7.581 -6.860 51 H ASN 8 H ASN 8 47.806 -7.119 -3.845 52 HA ASN 8 HA ASN 8 49.889 -6.235 -3.684 53 1HB ASN 8 2HB ASN 8 50.120 -7.361 -6.008 54 2HB ASN 8 1HB ASN 8 49.957 -5.730 -6.650 55 1HD2 ASN 8 1HD2 ASN 8 51.623 -4.252 -6.347 56 2HD2 ASN 8 2HD2 ASN 8 53.189 -4.727 -5.790 57 H GLN 9 H GLN 9 47.306 -4.677 -3.907 58 HA GLN 9 HA GLN 9 48.561 -2.033 -4.133 59 1HB GLN 9 2HB GLN 9 46.266 -3.059 -5.562 60 2HB GLN 9 1HB GLN 9 45.812 -1.681 -4.572 61 1HG GLN 9 2HG GLN 9 46.383 -0.886 -6.727 62 2HG GLN 9 1HG GLN 9 47.648 -0.395 -5.606 63 1HE2 GLN 9 1HE2 GLN 9 47.337 -3.637 -6.855 64 2HE2 GLN 9 2HE2 GLN 9 48.756 -3.610 -7.825 65 H PHE 10 H PHE 10 46.832 -0.404 -3.127 66 HA PHE 10 HA PHE 10 45.637 -1.422 -0.686 67 1HB PHE 10 2HB PHE 10 47.941 -1.111 0.008 68 2HB PHE 10 1HB PHE 10 47.980 0.499 -0.695 69 HD1 PHE 10 HD1 PHE 10 47.397 2.354 0.554 70 HD2 PHE 10 HD2 PHE 10 46.390 -1.521 1.986 71 HE1 PHE 10 HE1 PHE 10 46.706 3.332 2.696 72 HE2 PHE 10 HE2 PHE 10 45.706 -0.548 4.150 73 HZ PHE 10 HZ PHE 10 45.863 1.888 4.501 74 H SER 11 H SER 11 43.976 -0.090 -0.031 75 HA SER 11 HA SER 11 43.481 2.201 -1.726 76 1HB SER 11 2HB SER 11 41.614 0.379 -0.247 77 2HB SER 11 1HB SER 11 41.088 1.957 -0.833 78 HG SER 11 HG SER 11 41.780 1.278 -2.931 79 H CYS 12 H CYS 12 43.971 4.047 -0.907 80 HA CYS 12 HA CYS 12 44.194 4.774 1.761 81 1HB CYS 12 2HB CYS 12 45.061 6.129 -0.097 82 2HB CYS 12 1HB CYS 12 43.417 6.479 -0.613 83 H ALA 13 H ALA 13 42.782 5.690 3.211 84 HA ALA 13 HA ALA 13 40.580 4.472 3.869 85 1HB ALA 13 1HB ALA 13 40.810 7.458 4.117 86 2HB ALA 13 2HB ALA 13 41.574 6.275 5.181 87 3HB ALA 13 3HB ALA 13 39.815 6.398 5.115 88 H SER 14 H SER 14 39.175 3.746 2.437 89 HA SER 14 HA SER 14 37.376 3.643 1.061 90 1HB SER 14 2HB SER 14 36.506 5.892 2.875 91 2HB SER 14 1HB SER 14 35.438 4.882 1.904 92 HG SER 14 HG SER 14 36.791 4.307 4.254 93 H GLY 15 H GLY 15 38.647 4.443 -0.814 94 1HA GLY 15 2HA GLY 15 37.112 5.717 -2.555 95 2HA GLY 15 1HA GLY 15 37.779 7.091 -1.691 96 H ARG 16 H ARG 16 40.418 6.130 -1.321 97 HA ARG 16 HA ARG 16 41.297 6.708 -4.041 98 1HB ARG 16 2HB ARG 16 42.887 6.782 -1.470 99 2HB ARG 16 1HB ARG 16 43.429 7.348 -3.040 100 1HG ARG 16 2HG ARG 16 42.851 9.290 -1.884 101 2HG ARG 16 1HG ARG 16 41.473 8.989 -2.941 102 1HD ARG 16 2HD ARG 16 40.297 7.923 -1.034 103 2HD ARG 16 1HD ARG 16 41.658 8.334 0.008 104 HE ARG 16 HE ARG 16 40.953 10.727 -1.021 105 1HH1 ARG 16 1HH1 ARG 16 39.116 8.204 0.586 106 2HH1 ARG 16 2HH1 ARG 16 37.938 9.300 1.218 107 1HH2 ARG 16 1HH2 ARG 16 39.392 12.174 -0.179 108 2HH2 ARG 16 2HH2 ARG 16 38.097 11.548 0.794 109 H CYS 17 H CYS 17 43.652 5.668 -4.425 110 HA CYS 17 HA CYS 17 43.768 2.908 -3.630 111 1HB CYS 17 2HB CYS 17 42.239 3.604 -5.923 112 2HB CYS 17 1HB CYS 17 43.721 2.842 -6.494 113 H ILE 18 H ILE 18 45.838 2.762 -3.217 114 HA ILE 18 HA ILE 18 47.766 3.888 -5.139 115 HB ILE 18 HB ILE 18 49.210 4.446 -3.322 116 1HG1 ILE 18 2HG1 ILE 18 47.320 3.130 -1.384 117 2HG1 ILE 18 1HG1 ILE 18 48.654 2.246 -2.124 118 1HG2 ILE 18 1HG2 ILE 18 47.312 5.990 -3.563 119 2HG2 ILE 18 2HG2 ILE 18 47.830 5.878 -1.880 120 3HG2 ILE 18 3HG2 ILE 18 46.379 5.022 -2.415 121 1HD1 ILE 18 1HD1 ILE 18 50.248 3.761 -1.139 122 2HD1 ILE 18 2HD1 ILE 18 49.193 3.092 0.108 123 3HD1 ILE 18 3HD1 ILE 18 48.938 4.738 -0.470 124 HA PRO 19 HA PRO 19 49.429 -0.301 -5.131 125 1HB PRO 19 2HB PRO 19 52.190 0.563 -5.212 126 2HB PRO 19 1HB PRO 19 51.200 -0.091 -6.519 127 1HG PRO 19 2HG PRO 19 52.077 2.499 -6.431 128 2HG PRO 19 1HG PRO 19 50.611 1.978 -7.281 129 1HD PRO 19 2HD PRO 19 50.885 3.282 -4.598 130 2HD PRO 19 1HD PRO 19 49.674 3.559 -5.871 131 H ILE 20 H ILE 20 50.701 -1.825 -3.876 132 HA ILE 20 HA ILE 20 50.907 -1.081 -1.108 133 HB ILE 20 HB ILE 20 50.228 -3.386 -2.173 134 1HG1 ILE 20 2HG1 ILE 20 50.835 -4.501 -0.058 135 2HG1 ILE 20 1HG1 ILE 20 51.914 -3.159 0.316 136 1HG2 ILE 20 1HG2 ILE 20 53.197 -3.740 -1.864 137 2HG2 ILE 20 2HG2 ILE 20 52.284 -3.810 -3.371 138 3HG2 ILE 20 3HG2 ILE 20 52.034 -5.039 -2.131 139 1HD1 ILE 20 1HD1 ILE 20 49.822 -2.954 1.520 140 2HD1 ILE 20 2HD1 ILE 20 48.925 -3.002 0.002 141 3HD1 ILE 20 3HD1 ILE 20 49.992 -1.643 0.352 142 H SER 21 H SER 21 52.976 -1.959 0.058 143 HA SER 21 HA SER 21 55.182 -1.717 0.511 144 1HB SER 21 2HB SER 21 55.557 -2.686 -1.801 145 2HB SER 21 1HB SER 21 55.644 -1.032 -2.403 146 HG SER 21 HG SER 21 57.473 -2.497 -0.925 147 H TRP 22 H TRP 22 53.031 0.485 -0.228 148 HA TRP 22 HA TRP 22 54.829 2.808 -0.056 149 1HB TRP 22 2HB TRP 22 51.912 2.601 -0.786 150 2HB TRP 22 1HB TRP 22 52.744 4.134 -0.559 151 HD1 TRP 22 HD1 TRP 22 53.865 1.008 -2.572 152 HE1 TRP 22 HE1 TRP 22 54.377 1.766 -4.957 153 HE3 TRP 22 HE3 TRP 22 52.600 5.940 -2.164 154 HZ2 TRP 22 HZ2 TRP 22 54.285 4.134 -6.490 155 HZ3 TRP 22 HZ3 TRP 22 52.845 7.385 -4.138 156 HH2 TRP 22 HH2 TRP 22 53.668 6.501 -6.254 157 H THR 23 H THR 23 52.510 1.047 1.770 158 HA THR 23 HA THR 23 51.418 3.174 3.221 159 HB THR 23 HB THR 23 50.393 1.471 4.641 160 HG1 THR 23 HG1 THR 23 51.385 -0.372 4.882 161 1HG2 THR 23 1HG2 THR 23 49.381 1.927 2.482 162 2HG2 THR 23 2HG2 THR 23 49.219 0.219 2.894 163 3HG2 THR 23 3HG2 THR 23 50.432 0.727 1.719 164 H CYS 24 H CYS 24 53.211 0.562 4.654 165 HA CYS 24 HA CYS 24 53.751 2.185 6.967 166 1HB CYS 24 2HB CYS 24 54.258 -0.737 6.484 167 2HB CYS 24 1HB CYS 24 54.232 0.084 8.041 168 H ASP 25 H ASP 25 55.571 3.514 6.071 169 HA ASP 25 HA ASP 25 58.020 2.073 6.585 170 1HB ASP 25 2HB ASP 25 59.152 3.117 4.514 171 2HB ASP 25 1HB ASP 25 58.205 1.650 4.330 172 H LEU 26 H LEU 26 57.684 5.287 4.974 173 HA LEU 26 HA LEU 26 58.786 6.416 7.434 174 1HB LEU 26 2HB LEU 26 60.335 6.184 4.885 175 2HB LEU 26 1HB LEU 26 60.661 7.492 6.007 176 HG LEU 26 HG LEU 26 60.822 4.546 6.672 177 1HD1 LEU 26 1HD1 LEU 26 62.994 6.589 6.206 178 2HD1 LEU 26 2HD1 LEU 26 62.592 5.237 5.145 179 3HD1 LEU 26 3HD1 LEU 26 63.237 4.933 6.759 180 1HD2 LEU 26 1HD2 LEU 26 61.866 5.325 8.748 181 2HD2 LEU 26 2HD2 LEU 26 60.203 5.893 8.596 182 3HD2 LEU 26 3HD2 LEU 26 61.545 6.994 8.281 183 H ASP 27 H ASP 27 57.328 7.131 4.245 184 HA ASP 27 HA ASP 27 57.197 9.888 5.243 185 1HB ASP 27 2HB ASP 27 57.411 10.799 2.977 186 2HB ASP 27 1HB ASP 27 58.831 9.913 3.501 187 H ASP 28 H ASP 28 55.625 9.914 2.253 188 HA ASP 28 HA ASP 28 53.259 10.400 3.958 189 1HB ASP 28 2HB ASP 28 54.483 12.448 3.307 190 2HB ASP 28 1HB ASP 28 54.189 12.061 1.617 191 H ASP 29 H ASP 29 52.182 8.473 3.376 192 HA ASP 29 HA ASP 29 50.765 8.827 0.825 193 1HB ASP 29 2HB ASP 29 51.731 6.388 2.179 194 2HB ASP 29 1HB ASP 29 50.084 6.298 1.559 195 H CYS 30 H CYS 30 48.830 6.724 2.043 196 HA CYS 30 HA CYS 30 47.692 7.914 4.303 197 1HB CYS 30 2HB CYS 30 45.664 8.887 3.375 198 2HB CYS 30 1HB CYS 30 47.083 9.709 2.744 199 H GLY 31 H GLY 31 47.552 5.819 5.019 200 1HA GLY 31 2HA GLY 31 45.578 4.073 3.798 201 2HA GLY 31 1HA GLY 31 46.340 3.855 5.380 202 H ASP 32 H ASP 32 45.929 6.331 6.396 203 HA ASP 32 HA ASP 32 43.270 7.311 5.977 204 1HB ASP 32 2HB ASP 32 42.733 5.475 7.561 205 2HB ASP 32 1HB ASP 32 43.881 6.148 8.714 206 H ARG 33 H ARG 33 44.928 8.834 5.358 207 HA ARG 33 HA ARG 33 46.132 10.717 5.545 208 1HB ARG 33 2HB ARG 33 45.486 12.306 7.045 209 2HB ARG 33 1HB ARG 33 44.127 11.204 7.190 210 1HG ARG 33 2HG ARG 33 45.679 10.185 9.098 211 2HG ARG 33 1HG ARG 33 46.271 11.849 9.120 212 1HD ARG 33 2HD ARG 33 44.468 11.625 10.703 213 2HD ARG 33 1HD ARG 33 43.937 12.636 9.360 214 HE ARG 33 HE ARG 33 43.226 9.769 9.608 215 1HH1 ARG 33 1HH1 ARG 33 42.396 13.078 8.805 216 2HH1 ARG 33 2HH1 ARG 33 40.755 12.687 8.381 217 1HH2 ARG 33 1HH2 ARG 33 41.106 9.243 9.036 218 2HH2 ARG 33 2HH2 ARG 33 40.027 10.499 8.496 219 H SER 34 H SER 34 46.500 8.449 8.185 220 HA SER 34 HA SER 34 49.383 8.685 7.857 221 1HB SER 34 2HB SER 34 48.041 8.713 10.573 222 2HB SER 34 1HB SER 34 49.778 8.731 10.267 223 HG SER 34 HG SER 34 48.864 10.722 8.881 224 H ASP 35 H ASP 35 49.059 6.729 6.705 225 HA ASP 35 HA ASP 35 48.340 4.331 8.192 226 1HB ASP 35 2HB ASP 35 49.186 3.154 6.118 227 2HB ASP 35 1HB ASP 35 47.793 4.203 5.898 228 H GLU 36 H GLU 36 50.317 5.967 9.248 229 HA GLU 36 HA GLU 36 52.797 4.439 8.896 230 1HB GLU 36 2HB GLU 36 52.176 7.254 9.602 231 2HB GLU 36 1HB GLU 36 53.558 6.528 10.411 232 1HG GLU 36 2HG GLU 36 53.182 6.589 7.431 233 2HG GLU 36 1HG GLU 36 54.137 7.758 8.347 234 H SER 37 H SER 37 52.777 2.805 10.202 235 HA SER 37 HA SER 37 52.938 1.567 12.088 236 1HB SER 37 2HB SER 37 52.980 4.246 13.497 237 2HB SER 37 1HB SER 37 53.380 2.697 14.241 238 HG SER 37 HG SER 37 54.719 3.854 12.013 239 H ALA 38 H ALA 38 50.313 2.860 11.053 240 HA ALA 38 HA ALA 38 48.646 2.448 13.411 241 1HB ALA 38 1HB ALA 38 46.827 3.376 12.077 242 2HB ALA 38 2HB ALA 38 47.879 3.421 10.662 243 3HB ALA 38 3HB ALA 38 48.226 4.448 12.054 244 H SER 39 H SER 39 50.073 0.422 11.627 245 HA SER 39 HA SER 39 48.026 -1.569 11.721 246 1HB SER 39 2HB SER 39 48.299 -2.126 9.240 247 2HB SER 39 1HB SER 39 47.356 -0.679 9.601 248 HG SER 39 HG SER 39 49.528 -0.876 8.100 249 H CYS 40 H CYS 40 51.131 -0.739 10.223 250 HA CYS 40 HA CYS 40 52.106 -3.447 10.713 251 1HB CYS 40 2HB CYS 40 53.594 -1.231 9.328 252 2HB CYS 40 1HB CYS 40 53.853 -2.966 9.195 253 H ALA 41 H ALA 41 53.351 -3.959 12.367 254 HA ALA 41 HA ALA 41 54.710 -1.876 13.887 255 1HB ALA 41 1HB ALA 41 55.322 -3.666 15.424 256 2HB ALA 41 2HB ALA 41 54.645 -4.866 14.323 257 3HB ALA 41 3HB ALA 41 53.587 -3.692 15.109 258 H TYR 42 H TYR 42 56.301 -1.145 12.585 259 HA TYR 42 HA TYR 42 57.696 -2.559 10.648 260 1HB TYR 42 2HB TYR 42 58.814 -0.177 12.139 261 2HB TYR 42 1HB TYR 42 59.243 -0.705 10.522 262 HD1 TYR 42 HD1 TYR 42 58.717 2.003 10.595 263 HD2 TYR 42 HD2 TYR 42 55.847 -1.134 10.590 264 HE1 TYR 42 HE1 TYR 42 57.027 3.555 9.702 265 HE2 TYR 42 HE2 TYR 42 54.162 0.405 9.698 266 HH TYR 42 HH TYR 42 54.918 3.538 8.526 267 HA PRO 43 HA PRO 43 60.755 -4.587 13.296 268 1HB PRO 43 2HB PRO 43 61.099 -6.764 11.762 269 2HB PRO 43 1HB PRO 43 59.698 -6.594 12.822 270 1HG PRO 43 2HG PRO 43 59.883 -6.307 9.873 271 2HG PRO 43 1HG PRO 43 58.541 -6.895 10.866 272 1HD PRO 43 2HD PRO 43 58.810 -4.315 9.761 273 2HD PRO 43 1HD PRO 43 57.629 -4.824 10.984 274 H THR 44 H THR 44 60.658 -3.652 10.010 275 HA THR 44 HA THR 44 63.290 -2.663 9.906 276 HB THR 44 HB THR 44 63.886 -5.056 9.748 277 HG1 THR 44 HG1 THR 44 64.217 -3.433 7.447 278 1HG2 THR 44 1HG2 THR 44 62.187 -5.071 7.245 279 2HG2 THR 44 2HG2 THR 44 61.793 -5.884 8.759 280 3HG2 THR 44 3HG2 THR 44 63.196 -6.399 7.825 281 H CYS 45 H CYS 45 60.454 -2.065 9.308 282 HA CYS 45 HA CYS 45 59.064 -1.145 7.788 283 1HB CYS 45 2HB CYS 45 61.641 -0.742 6.275 284 2HB CYS 45 1HB CYS 45 60.087 -0.134 5.718 285 H PHE 46 H PHE 46 57.612 -2.199 6.683 286 HA PHE 46 HA PHE 46 58.135 -3.689 4.354 287 1HB PHE 46 2HB PHE 46 59.007 -5.277 6.107 288 2HB PHE 46 1HB PHE 46 57.373 -5.376 6.746 289 HD1 PHE 46 HD1 PHE 46 59.565 -6.237 3.937 290 HD2 PHE 46 HD2 PHE 46 55.683 -6.677 5.628 291 HE1 PHE 46 HE1 PHE 46 59.094 -8.071 2.374 292 HE2 PHE 46 HE2 PHE 46 55.206 -8.517 4.066 293 HZ PHE 46 HZ PHE 46 56.915 -9.216 2.436 294 HA PRO 47 HA PRO 47 53.708 -2.487 4.816 295 1HB PRO 47 2HB PRO 47 53.650 -0.818 2.713 296 2HB PRO 47 1HB PRO 47 54.151 -0.267 4.314 297 1HG PRO 47 2HG PRO 47 55.821 -0.984 1.953 298 2HG PRO 47 1HG PRO 47 56.018 0.349 3.104 299 1HD PRO 47 2HD PRO 47 57.438 -1.993 3.209 300 2HD PRO 47 1HD PRO 47 57.117 -0.957 4.612 301 H LEU 48 H LEU 48 54.716 -4.832 3.929 302 HA LEU 48 HA LEU 48 54.556 -6.524 2.454 303 1HB LEU 48 2HB LEU 48 52.680 -4.645 1.026 304 2HB LEU 48 1HB LEU 48 53.079 -6.240 0.415 305 HG LEU 48 HG LEU 48 52.243 -7.070 2.736 306 1HD1 LEU 48 1HD1 LEU 48 50.464 -5.673 3.681 307 2HD1 LEU 48 2HD1 LEU 48 50.886 -4.381 2.557 308 3HD1 LEU 48 3HD1 LEU 48 52.042 -4.891 3.788 309 1HD2 LEU 48 1HD2 LEU 48 51.193 -7.597 0.621 310 2HD2 LEU 48 2HD2 LEU 48 50.383 -6.030 0.610 311 3HD2 LEU 48 3HD2 LEU 48 49.967 -7.226 1.836 312 H THR 49 H THR 49 56.308 -7.011 1.436 313 HA THR 49 HA THR 49 57.963 -7.130 -0.066 314 HB THR 49 HB THR 49 57.579 -6.450 -2.354 315 HG1 THR 49 HG1 THR 49 55.902 -4.599 -1.183 316 1HG2 THR 49 1HG2 THR 49 54.989 -7.349 -1.095 317 2HG2 THR 49 2HG2 THR 49 56.333 -8.402 -1.542 318 3HG2 THR 49 3HG2 THR 49 55.439 -7.532 -2.790 319 H GLN 50 H GLN 50 59.430 -5.945 1.312 320 HA GLN 50 HA GLN 50 60.346 -3.510 0.045 321 1HB GLN 50 2HB GLN 50 59.034 -3.491 2.682 322 2HB GLN 50 1HB GLN 50 60.559 -2.619 2.599 323 1HG GLN 50 2HG GLN 50 59.342 -1.726 0.356 324 2HG GLN 50 1HG GLN 50 57.957 -2.013 1.408 325 1HE2 GLN 50 1HE2 GLN 50 57.643 0.282 1.271 326 2HE2 GLN 50 2HE2 GLN 50 58.532 1.332 2.318 327 H PHE 51 H PHE 51 62.261 -2.605 1.214 328 HA PHE 51 HA PHE 51 63.981 -4.566 2.539 329 1HB PHE 51 2HB PHE 51 64.412 -4.693 0.064 330 2HB PHE 51 1HB PHE 51 64.799 -2.977 0.077 331 HD1 PHE 51 HD1 PHE 51 65.876 -6.222 1.602 332 HD2 PHE 51 HD2 PHE 51 66.987 -2.309 0.369 333 HE1 PHE 51 HE1 PHE 51 68.235 -6.733 2.077 334 HE2 PHE 51 HE2 PHE 51 69.319 -2.788 0.859 335 HZ PHE 51 HZ PHE 51 69.965 -5.015 1.713 336 H THR 52 H THR 52 66.173 -3.162 3.089 337 HA THR 52 HA THR 52 65.366 -0.407 3.650 338 HB THR 52 HB THR 52 64.880 -1.626 5.701 339 HG1 THR 52 HG1 THR 52 66.160 0.532 5.601 340 1HG2 THR 52 1HG2 THR 52 67.794 -2.409 5.702 341 2HG2 THR 52 2HG2 THR 52 66.438 -3.502 5.424 342 3HG2 THR 52 3HG2 THR 52 66.641 -2.727 6.997 343 H CYS 53 H CYS 53 66.828 0.932 2.836 344 HA CYS 53 HA CYS 53 69.447 0.280 2.070 345 1HB CYS 53 2HB CYS 53 68.655 3.007 3.040 346 2HB CYS 53 1HB CYS 53 69.859 2.587 1.829 347 H ASN 54 H ASN 54 71.476 0.532 3.065 348 HA ASN 54 HA ASN 54 71.573 0.172 5.882 349 1HB ASN 54 2HB ASN 54 73.767 0.786 3.900 350 2HB ASN 54 1HB ASN 54 74.058 0.465 5.607 351 1HD2 ASN 54 1HD2 ASN 54 73.424 -0.871 2.532 352 2HD2 ASN 54 2HD2 ASN 54 73.415 -2.533 3.000 353 H ASN 55 H ASN 55 71.399 2.953 3.926 354 HA ASN 55 HA ASN 55 72.530 4.879 5.615 355 1HB ASN 55 2HB ASN 55 71.746 5.178 3.218 356 2HB ASN 55 1HB ASN 55 70.110 5.283 3.854 357 1HD2 ASN 55 1HD2 ASN 55 73.172 6.841 3.547 358 2HD2 ASN 55 2HD2 ASN 55 72.679 8.393 4.125 359 H GLY 56 H GLY 56 69.778 2.926 6.011 360 1HA GLY 56 2HA GLY 56 68.530 2.902 8.060 361 2HA GLY 56 1HA GLY 56 68.801 4.636 8.203 362 H ARG 57 H ARG 57 68.101 3.715 5.062 363 HA ARG 57 HA ARG 57 65.456 4.922 5.236 364 1HB ARG 57 2HB ARG 57 67.184 4.118 2.900 365 2HB ARG 57 1HB ARG 57 65.571 4.797 2.734 366 1HG ARG 57 2HG ARG 57 66.227 6.882 3.370 367 2HG ARG 57 1HG ARG 57 67.588 6.283 4.329 368 1HD ARG 57 2HD ARG 57 68.826 5.734 2.340 369 2HD ARG 57 1HD ARG 57 67.446 6.145 1.323 370 HE ARG 57 HE ARG 57 68.046 8.418 2.790 371 1HH1 ARG 57 1HH1 ARG 57 69.760 6.375 0.527 372 2HH1 ARG 57 2HH1 ARG 57 70.594 7.698 -0.239 373 1HH2 ARG 57 1HH2 ARG 57 69.185 10.166 1.813 374 2HH2 ARG 57 2HH2 ARG 57 70.272 9.847 0.504 375 H CYS 58 H CYS 58 63.599 3.922 4.343 376 HA CYS 58 HA CYS 58 63.777 0.999 4.136 377 1HB CYS 58 2HB CYS 58 61.316 2.698 4.602 378 2HB CYS 58 1HB CYS 58 61.442 0.948 4.756 379 H ILE 59 H ILE 59 63.489 0.122 2.139 380 HA ILE 59 HA ILE 59 62.455 1.938 0.090 381 HB ILE 59 HB ILE 59 64.031 0.766 -1.521 382 1HG1 ILE 59 2HG1 ILE 59 65.451 0.157 1.082 383 2HG1 ILE 59 1HG1 ILE 59 64.761 -1.033 -0.018 384 1HG2 ILE 59 1HG2 ILE 59 64.241 3.069 -0.967 385 2HG2 ILE 59 2HG2 ILE 59 65.849 2.337 -0.922 386 3HG2 ILE 59 3HG2 ILE 59 64.993 2.677 0.582 387 1HD1 ILE 59 1HD1 ILE 59 66.365 -0.554 -1.691 388 2HD1 ILE 59 2HD1 ILE 59 67.252 -0.707 -0.172 389 3HD1 ILE 59 3HD1 ILE 59 66.919 0.885 -0.841 390 H ASN 60 H ASN 60 61.688 0.925 -1.871 391 HA ASN 60 HA ASN 60 59.915 -1.233 -1.271 392 1HB ASN 60 2HB ASN 60 60.574 -0.048 -3.979 393 2HB ASN 60 1HB ASN 60 59.173 -1.031 -3.582 394 1HD2 ASN 60 1HD2 ASN 60 58.624 0.270 -1.061 395 2HD2 ASN 60 2HD2 ASN 60 58.010 1.842 -1.435 396 H ILE 61 H ILE 61 59.913 -3.311 -2.297 397 HA ILE 61 HA ILE 61 62.525 -4.442 -2.377 398 HB ILE 61 HB ILE 61 60.403 -5.580 -1.556 399 1HG1 ILE 61 2HG1 ILE 61 62.011 -7.161 -3.564 400 2HG1 ILE 61 1HG1 ILE 61 62.626 -6.692 -1.983 401 1HG2 ILE 61 1HG2 ILE 61 60.035 -5.981 -4.516 402 2HG2 ILE 61 2HG2 ILE 61 58.960 -5.111 -3.420 403 3HG2 ILE 61 3HG2 ILE 61 59.158 -6.857 -3.261 404 1HD1 ILE 61 1HD1 ILE 61 61.822 -8.983 -2.006 405 2HD1 ILE 61 2HD1 ILE 61 60.221 -8.423 -2.488 406 3HD1 ILE 61 3HD1 ILE 61 60.871 -7.981 -0.908 407 H ASN 62 H ASN 62 60.752 -2.830 -4.681 408 HA ASN 62 HA ASN 62 61.637 -4.382 -6.970 409 1HB ASN 62 2HB ASN 62 60.034 -1.824 -6.795 410 2HB ASN 62 1HB ASN 62 60.399 -2.671 -8.294 411 1HD2 ASN 62 1HD2 ASN 62 57.820 -2.061 -7.102 412 2HD2 ASN 62 2HD2 ASN 62 57.024 -3.576 -6.872 413 H TRP 63 H TRP 63 63.331 -2.617 -5.040 414 HA TRP 63 HA TRP 63 64.696 -1.026 -7.111 415 1HB TRP 63 2HB TRP 63 64.865 -0.854 -4.090 416 2HB TRP 63 1HB TRP 63 65.779 0.151 -5.207 417 HD1 TRP 63 HD1 TRP 63 62.020 -0.570 -5.674 418 HE1 TRP 63 HE1 TRP 63 60.730 1.649 -5.445 419 HE3 TRP 63 HE3 TRP 63 65.857 2.456 -4.205 420 HZ2 TRP 63 HZ2 TRP 63 61.267 4.315 -4.738 421 HZ3 TRP 63 HZ3 TRP 63 65.384 4.831 -3.766 422 HH2 TRP 63 HH2 TRP 63 63.138 5.736 -4.024 423 H ARG 64 H ARG 64 64.661 -3.936 -6.052 424 HA ARG 64 HA ARG 64 67.438 -4.592 -5.695 425 1HB ARG 64 2HB ARG 64 65.418 -5.943 -4.891 426 2HB ARG 64 1HB ARG 64 65.159 -6.389 -6.567 427 1HG ARG 64 2HG ARG 64 66.440 -8.151 -6.156 428 2HG ARG 64 1HG ARG 64 67.806 -7.031 -6.124 429 1HD ARG 64 2HD ARG 64 67.713 -8.472 -4.116 430 2HD ARG 64 1HD ARG 64 67.588 -6.756 -3.729 431 HE ARG 64 HE ARG 64 64.994 -7.655 -3.958 432 1HH1 ARG 64 1HH1 ARG 64 67.783 -8.475 -1.968 433 2HH1 ARG 64 2HH1 ARG 64 66.806 -8.946 -0.611 434 1HH2 ARG 64 1HH2 ARG 64 63.732 -8.287 -2.152 435 2HH2 ARG 64 2HH2 ARG 64 64.517 -8.844 -0.714 436 H CYS 65 H CYS 65 68.707 -3.994 -7.439 437 HA CYS 65 HA CYS 65 67.564 -4.458 -10.112 438 1HB CYS 65 2HB CYS 65 69.414 -2.215 -9.330 439 2HB CYS 65 1HB CYS 65 68.614 -2.432 -10.883 440 H ASP 66 H ASP 66 70.691 -3.673 -8.715 441 HA ASP 66 HA ASP 66 72.043 -4.837 -10.966 442 1HB ASP 66 2HB ASP 66 73.309 -3.722 -8.465 443 2HB ASP 66 1HB ASP 66 73.993 -3.804 -10.087 444 H ASN 67 H ASN 67 72.508 -5.277 -7.462 445 HA ASN 67 HA ASN 67 72.976 -8.109 -7.987 446 1HB ASN 67 2HB ASN 67 75.040 -7.250 -7.217 447 2HB ASN 67 1HB ASN 67 74.258 -6.248 -6.000 448 1HD2 ASN 67 1HD2 ASN 67 73.786 -7.069 -4.040 449 2HD2 ASN 67 2HD2 ASN 67 74.241 -8.668 -3.537 450 H ASP 68 H ASP 68 71.938 -5.849 -5.517 451 HA ASP 68 HA ASP 68 69.671 -7.589 -4.873 452 1HB ASP 68 2HB ASP 68 71.595 -7.873 -3.204 453 2HB ASP 68 1HB ASP 68 71.296 -6.208 -2.725 454 H ASN 69 H ASN 69 69.323 -5.418 -2.593 455 HA ASN 69 HA ASN 69 67.655 -3.797 -4.413 456 1HB ASN 69 2HB ASN 69 66.662 -5.431 -2.714 457 2HB ASN 69 1HB ASN 69 67.203 -4.310 -1.476 458 1HD2 ASN 69 1HD2 ASN 69 66.586 -1.887 -2.842 459 2HD2 ASN 69 2HD2 ASN 69 64.860 -1.782 -2.918 460 H ASP 70 H ASP 70 67.914 -1.632 -4.485 461 HA ASP 70 HA ASP 70 69.548 -0.379 -2.374 462 1HB ASP 70 2HB ASP 70 70.603 -0.999 -4.739 463 2HB ASP 70 1HB ASP 70 69.908 0.568 -5.143 464 H CYS 71 H CYS 71 69.767 2.133 -3.457 465 HA CYS 71 HA CYS 71 67.196 3.256 -4.034 466 1HB CYS 71 2HB CYS 71 67.152 4.569 -1.843 467 2HB CYS 71 1HB CYS 71 66.677 2.875 -1.764 468 H GLY 72 H GLY 72 70.209 4.143 -2.302 469 1HA GLY 72 2HA GLY 72 71.495 5.590 -4.190 470 2HA GLY 72 1HA GLY 72 70.263 6.709 -3.627 471 H ASP 73 H ASP 73 72.285 4.340 -1.903 472 HA ASP 73 HA ASP 73 73.948 6.447 -0.846 473 1HB ASP 73 2HB ASP 73 73.616 5.522 1.540 474 2HB ASP 73 1HB ASP 73 72.386 6.600 0.898 475 H ASN 74 H ASN 74 73.252 3.184 0.281 476 HA ASN 74 HA ASN 74 75.185 1.840 -1.226 477 1HB ASN 74 2HB ASN 74 76.656 3.200 0.422 478 2HB ASN 74 1HB ASN 74 76.030 2.121 1.662 479 1HD2 ASN 74 1HD2 ASN 74 75.967 -0.216 -0.128 480 2HD2 ASN 74 2HD2 ASN 74 77.612 -0.685 -0.348 481 H SER 75 H SER 75 72.770 1.179 -1.068 482 HA SER 75 HA SER 75 72.045 -0.269 1.298 483 1HB SER 75 2HB SER 75 70.380 1.007 -0.023 484 2HB SER 75 1HB SER 75 70.635 -0.111 -1.362 485 HG SER 75 HG SER 75 69.566 -1.644 -0.321 486 H ASP 76 H ASP 76 71.977 -1.259 -2.029 487 HA ASP 76 HA ASP 76 72.933 -3.920 -1.340 488 1HB ASP 76 2HB ASP 76 71.166 -3.941 -2.914 489 2HB ASP 76 1HB ASP 76 71.879 -2.630 -3.848 490 H GLU 77 H GLU 77 73.652 -1.300 -3.581 491 HA GLU 77 HA GLU 77 76.484 -1.447 -3.137 492 1HB GLU 77 2HB GLU 77 76.922 -1.845 -5.662 493 2HB GLU 77 1HB GLU 77 76.642 -3.214 -4.601 494 1HG GLU 77 2HG GLU 77 75.475 -3.553 -6.649 495 2HG GLU 77 1HG GLU 77 74.304 -3.286 -5.364 496 H ALA 78 H ALA 78 73.846 0.313 -3.828 497 HA ALA 78 HA ALA 78 73.566 2.536 -4.113 498 1HB ALA 78 1HB ALA 78 75.447 4.059 -4.203 499 2HB ALA 78 2HB ALA 78 76.552 2.711 -4.472 500 3HB ALA 78 3HB ALA 78 75.689 2.853 -2.940 501 H GLY 79 H GLY 79 73.615 0.544 -6.322 502 1HA GLY 79 2HA GLY 79 74.263 2.310 -8.587 503 2HA GLY 79 1HA GLY 79 74.018 0.572 -8.675 504 H CYS 80 H CYS 80 72.306 0.120 -9.824 505 HA CYS 80 HA CYS 80 70.322 0.319 -10.917 506 1HB CYS 80 2HB CYS 80 69.647 -0.439 -8.622 507 2HB CYS 80 1HB CYS 80 69.313 1.242 -8.216 508 H SER 81 H SER 81 72.009 2.703 -10.945 509 HA SER 81 HA SER 81 69.965 4.801 -11.202 510 1HB SER 81 2HB SER 81 72.944 5.087 -10.755 511 2HB SER 81 1HB SER 81 71.794 6.417 -10.886 512 HG SER 81 HG SER 81 71.542 4.362 -8.944 513 H HIS 82 HN HIS 82 70.972 2.667 -13.129 514 HA HIS 82 HA HIS 82 71.079 4.369 -15.445 515 1HB HIS 82 2HB HIS 82 73.468 4.288 -14.794 516 2HB HIS 82 1HB HIS 82 73.418 2.531 -14.838 517 HD1 HIS 82 HD1 HIS 82 72.777 1.547 -17.328 518 HD2 HIS 82 HD2 HIS 82 74.259 5.418 -17.080 519 HE1 HIS 82 HE1 HIS 82 73.653 2.120 -19.634 Start of MODEL 12 1 1H SER 1 1HT SER 1 41.150 -2.514 -7.257 2 2H SER 1 2HT SER 1 40.424 -3.393 -6.006 3 3H SER 1 3HT SER 1 39.501 -2.314 -6.923 4 HA SER 1 HA SER 1 39.735 -3.644 -8.874 5 1HB SER 1 2HB SER 1 41.314 -5.558 -7.139 6 2HB SER 1 1HB SER 1 40.980 -5.722 -8.864 7 HG SER 1 HG SER 1 42.740 -4.630 -9.159 8 H ALA 2 H ALA 2 39.723 -5.497 -5.824 9 HA ALA 2 HA ALA 2 36.998 -6.390 -6.351 10 1HB ALA 2 1HB ALA 2 38.606 -8.013 -5.455 11 2HB ALA 2 2HB ALA 2 37.296 -7.735 -4.308 12 3HB ALA 2 3HB ALA 2 38.870 -6.983 -4.049 13 H ARG 3 H ARG 3 36.694 -6.355 -3.249 14 HA ARG 3 HA ARG 3 35.466 -3.825 -2.964 15 1HB ARG 3 2HB ARG 3 34.937 -5.813 -1.547 16 2HB ARG 3 1HB ARG 3 36.501 -5.633 -0.767 17 1HG ARG 3 2HG ARG 3 34.768 -4.685 0.621 18 2HG ARG 3 1HG ARG 3 35.836 -3.404 0.034 19 1HD ARG 3 2HD ARG 3 34.212 -2.860 -1.716 20 2HD ARG 3 1HD ARG 3 33.149 -4.141 -1.132 21 HE ARG 3 HE ARG 3 33.526 -2.583 1.054 22 1HH1 ARG 3 1HH1 ARG 3 32.514 -1.929 -2.225 23 2HH1 ARG 3 2HH1 ARG 3 31.492 -0.600 -1.790 24 1HH2 ARG 3 1HH2 ARG 3 32.165 -0.827 1.650 25 2HH2 ARG 3 2HH2 ARG 3 31.286 0.025 0.426 26 H THR 4 H THR 4 38.675 -5.016 -2.528 27 HA THR 4 HA THR 4 39.623 -2.303 -1.952 28 HB THR 4 HB THR 4 41.448 -3.397 -0.563 29 HG1 THR 4 HG1 THR 4 40.964 -5.502 0.210 30 1HG2 THR 4 1HG2 THR 4 39.567 -2.213 0.469 31 2HG2 THR 4 2HG2 THR 4 40.063 -3.601 1.435 32 3HG2 THR 4 3HG2 THR 4 38.616 -3.697 0.433 33 H CYS 5 H CYS 5 42.401 -3.281 -1.949 34 HA CYS 5 HA CYS 5 42.757 -3.448 -4.826 35 1HB CYS 5 2HB CYS 5 44.658 -2.822 -2.560 36 2HB CYS 5 1HB CYS 5 45.140 -2.913 -4.255 37 HA PRO 6 HA PRO 6 44.182 -7.665 -5.064 38 1HB PRO 6 2HB PRO 6 46.813 -6.667 -6.040 39 2HB PRO 6 1HB PRO 6 45.711 -7.837 -6.774 40 1HG PRO 6 2HG PRO 6 45.905 -5.378 -7.759 41 2HG PRO 6 1HG PRO 6 44.331 -6.186 -7.649 42 1HD PRO 6 2HD PRO 6 45.490 -4.052 -5.910 43 2HD PRO 6 1HD PRO 6 43.821 -4.260 -6.479 44 HA PRO 7 HA PRO 7 46.468 -8.716 -1.440 45 1HB PRO 7 2HB PRO 7 47.822 -10.853 -2.988 46 2HB PRO 7 1HB PRO 7 46.829 -10.972 -1.531 47 1HG PRO 7 2HG PRO 7 45.881 -11.752 -3.901 48 2HG PRO 7 1HG PRO 7 44.838 -10.918 -2.732 49 1HD PRO 7 2HD PRO 7 46.175 -9.848 -5.186 50 2HD PRO 7 1HD PRO 7 44.543 -9.529 -4.562 51 H ASN 8 H ASN 8 48.302 -8.356 -4.419 52 HA ASN 8 HA ASN 8 50.746 -7.889 -2.894 53 1HB ASN 8 2HB ASN 8 51.932 -7.968 -4.985 54 2HB ASN 8 1HB ASN 8 50.844 -9.347 -4.899 55 1HD2 ASN 8 1HD2 ASN 8 51.702 -6.505 -6.577 56 2HD2 ASN 8 2HD2 ASN 8 50.528 -6.637 -7.838 57 H GLN 9 H GLN 9 48.268 -6.167 -3.196 58 HA GLN 9 HA GLN 9 49.691 -3.646 -3.658 59 1HB GLN 9 2HB GLN 9 47.494 -4.651 -5.158 60 2HB GLN 9 1HB GLN 9 46.868 -3.369 -4.136 61 1HG GLN 9 2HG GLN 9 47.500 -2.515 -6.308 62 2HG GLN 9 1HG GLN 9 48.513 -1.824 -5.041 63 1HE2 GLN 9 1HE2 GLN 9 48.905 -5.059 -6.206 64 2HE2 GLN 9 2HE2 GLN 9 50.429 -4.813 -6.966 65 H PHE 10 H PHE 10 48.206 -1.850 -2.621 66 HA PHE 10 HA PHE 10 46.898 -2.881 -0.223 67 1HB PHE 10 2HB PHE 10 49.150 -2.351 0.497 68 2HB PHE 10 1HB PHE 10 49.052 -0.761 -0.251 69 HD1 PHE 10 HD1 PHE 10 47.244 -2.830 2.283 70 HD2 PHE 10 HD2 PHE 10 48.559 1.035 1.081 71 HE1 PHE 10 HE1 PHE 10 46.337 -1.870 4.368 72 HE2 PHE 10 HE2 PHE 10 47.665 1.990 3.159 73 HZ PHE 10 HZ PHE 10 46.548 0.546 4.803 74 H SER 11 H SER 11 45.187 -1.635 0.453 75 HA SER 11 HA SER 11 44.363 0.357 -1.484 76 1HB SER 11 2HB SER 11 42.987 -1.731 -1.307 77 2HB SER 11 1HB SER 11 42.585 -1.258 0.340 78 HG SER 11 HG SER 11 42.154 0.545 -1.777 79 H CYS 12 H CYS 12 44.853 2.275 -0.697 80 HA CYS 12 HA CYS 12 44.796 3.013 2.007 81 1HB CYS 12 2HB CYS 12 45.981 4.351 0.357 82 2HB CYS 12 1HB CYS 12 44.473 4.706 -0.473 83 H ALA 13 H ALA 13 43.236 4.025 3.224 84 HA ALA 13 HA ALA 13 41.021 2.741 3.617 85 1HB ALA 13 1HB ALA 13 41.093 5.735 3.849 86 2HB ALA 13 2HB ALA 13 41.758 4.591 5.019 87 3HB ALA 13 3HB ALA 13 40.017 4.644 4.730 88 H SER 14 H SER 14 39.916 1.913 1.998 89 HA SER 14 HA SER 14 38.434 1.679 0.310 90 1HB SER 14 2HB SER 14 36.233 2.839 0.840 91 2HB SER 14 1HB SER 14 36.908 1.805 2.096 92 HG SER 14 HG SER 14 37.662 4.480 2.153 93 H GLY 15 H GLY 15 39.783 2.616 -1.338 94 1HA GLY 15 2HA GLY 15 38.383 3.893 -3.218 95 2HA GLY 15 1HA GLY 15 38.931 5.251 -2.248 96 H ARG 16 H ARG 16 41.491 4.310 -1.597 97 HA ARG 16 HA ARG 16 42.725 4.915 -4.166 98 1HB ARG 16 2HB ARG 16 43.976 4.904 -1.416 99 2HB ARG 16 1HB ARG 16 44.729 5.481 -2.892 100 1HG ARG 16 2HG ARG 16 44.051 7.416 -1.778 101 2HG ARG 16 1HG ARG 16 42.817 7.170 -3.017 102 1HD ARG 16 2HD ARG 16 41.377 6.103 -1.316 103 2HD ARG 16 1HD ARG 16 42.602 6.437 -0.091 104 HE ARG 16 HE ARG 16 42.105 8.875 -1.126 105 1HH1 ARG 16 1HH1 ARG 16 40.011 6.372 0.147 106 2HH1 ARG 16 2HH1 ARG 16 38.788 7.481 0.660 107 1HH2 ARG 16 1HH2 ARG 16 40.485 10.342 -0.435 108 2HH2 ARG 16 2HH2 ARG 16 39.065 9.733 0.347 109 H CYS 17 H CYS 17 44.901 3.832 -4.573 110 HA CYS 17 HA CYS 17 44.959 1.043 -3.763 111 1HB CYS 17 2HB CYS 17 43.431 1.620 -5.911 112 2HB CYS 17 1HB CYS 17 44.995 1.424 -6.697 113 H ILE 18 H ILE 18 46.996 1.213 -3.023 114 HA ILE 18 HA ILE 18 49.079 2.174 -4.873 115 HB ILE 18 HB ILE 18 50.326 2.948 -3.005 116 1HG1 ILE 18 2HG1 ILE 18 48.403 1.496 -1.182 117 2HG1 ILE 18 1HG1 ILE 18 49.950 0.822 -1.696 118 1HG2 ILE 18 1HG2 ILE 18 48.323 4.330 -3.432 119 2HG2 ILE 18 2HG2 ILE 18 48.807 4.364 -1.736 120 3HG2 ILE 18 3HG2 ILE 18 47.435 3.375 -2.239 121 1HD1 ILE 18 1HD1 ILE 18 51.101 2.693 -0.663 122 2HD1 ILE 18 2HD1 ILE 18 50.116 1.794 0.497 123 3HD1 ILE 18 3HD1 ILE 18 49.547 3.341 -0.129 124 HA PRO 19 HA PRO 19 50.812 -1.986 -4.463 125 1HB PRO 19 2HB PRO 19 53.493 -0.926 -3.872 126 2HB PRO 19 1HB PRO 19 52.941 -1.878 -5.254 127 1HG PRO 19 2HG PRO 19 53.595 0.736 -5.475 128 2HG PRO 19 1HG PRO 19 52.323 -0.012 -6.460 129 1HD PRO 19 2HD PRO 19 52.073 1.710 -4.023 130 2HD PRO 19 1HD PRO 19 51.093 1.708 -5.504 131 H ILE 20 H ILE 20 51.407 -3.449 -2.815 132 HA ILE 20 HA ILE 20 50.899 -2.519 -0.176 133 HB ILE 20 HB ILE 20 50.290 -4.804 -1.164 134 1HG1 ILE 20 2HG1 ILE 20 51.624 -4.814 1.543 135 2HG1 ILE 20 1HG1 ILE 20 50.043 -4.107 1.230 136 1HG2 ILE 20 1HG2 ILE 20 51.921 -6.602 -0.806 137 2HG2 ILE 20 2HG2 ILE 20 53.130 -5.394 -0.368 138 3HG2 ILE 20 3HG2 ILE 20 52.475 -5.429 -2.004 139 1HD1 ILE 20 1HD1 ILE 20 49.190 -6.292 0.572 140 2HD1 ILE 20 2HD1 ILE 20 49.837 -6.312 2.210 141 3HD1 ILE 20 3HD1 ILE 20 50.769 -7.010 0.883 142 H SER 21 H SER 21 52.338 -3.133 1.643 143 HA SER 21 HA SER 21 54.269 -2.931 2.799 144 1HB SER 21 2HB SER 21 55.184 -4.487 0.980 145 2HB SER 21 1HB SER 21 55.838 -3.030 0.231 146 HG SER 21 HG SER 21 57.316 -2.923 1.709 147 H TRP 22 H TRP 22 53.226 -0.883 0.388 148 HA TRP 22 HA TRP 22 54.943 1.365 1.015 149 1HB TRP 22 2HB TRP 22 52.352 1.061 -0.489 150 2HB TRP 22 1HB TRP 22 52.987 2.649 -0.085 151 HD1 TRP 22 HD1 TRP 22 54.370 -0.525 -1.823 152 HE1 TRP 22 HE1 TRP 22 55.718 0.251 -3.848 153 HE3 TRP 22 HE3 TRP 22 53.821 4.512 -1.281 154 HZ2 TRP 22 HZ2 TRP 22 56.477 2.682 -5.085 155 HZ3 TRP 22 HZ3 TRP 22 54.884 6.001 -2.931 156 HH2 TRP 22 HH2 TRP 22 56.181 5.099 -4.791 157 H THR 23 H THR 23 53.282 -0.195 3.049 158 HA THR 23 HA THR 23 51.336 1.668 3.981 159 HB THR 23 HB THR 23 51.043 0.037 5.829 160 HG1 THR 23 HG1 THR 23 52.399 -1.655 6.056 161 1HG2 THR 23 1HG2 THR 23 51.155 -1.174 3.051 162 2HG2 THR 23 2HG2 THR 23 49.818 -0.230 3.716 163 3HG2 THR 23 3HG2 THR 23 50.221 -1.799 4.414 164 H CYS 24 H CYS 24 53.672 0.206 6.120 165 HA CYS 24 HA CYS 24 54.421 2.812 7.075 166 1HB CYS 24 2HB CYS 24 54.899 0.050 8.093 167 2HB CYS 24 1HB CYS 24 55.779 1.435 8.745 168 H ASP 25 H ASP 25 55.867 3.802 5.826 169 HA ASP 25 HA ASP 25 58.207 2.284 4.859 170 1HB ASP 25 2HB ASP 25 56.525 2.474 3.069 171 2HB ASP 25 1HB ASP 25 56.497 4.218 3.271 172 H LEU 26 H LEU 26 57.109 4.739 6.679 173 HA LEU 26 HA LEU 26 58.148 6.390 7.829 174 1HB LEU 26 2HB LEU 26 60.491 5.749 6.065 175 2HB LEU 26 1HB LEU 26 60.500 7.120 7.156 176 HG LEU 26 HG LEU 26 60.248 4.215 7.930 177 1HD1 LEU 26 1HD1 LEU 26 62.396 4.579 9.017 178 2HD1 LEU 26 2HD1 LEU 26 62.421 6.242 8.433 179 3HD1 LEU 26 3HD1 LEU 26 62.499 4.905 7.286 180 1HD2 LEU 26 1HD2 LEU 26 60.283 5.001 10.240 181 2HD2 LEU 26 2HD2 LEU 26 58.868 5.608 9.381 182 3HD2 LEU 26 3HD2 LEU 26 60.242 6.673 9.679 183 H ASP 27 H ASP 27 56.933 6.486 4.922 184 HA ASP 27 HA ASP 27 57.008 9.418 4.935 185 1HB ASP 27 2HB ASP 27 58.428 8.398 3.035 186 2HB ASP 27 1HB ASP 27 56.893 7.894 2.336 187 H ASP 28 H ASP 28 55.037 10.202 5.137 188 HA ASP 28 HA ASP 28 52.870 8.328 5.367 189 1HB ASP 28 2HB ASP 28 53.327 10.197 6.997 190 2HB ASP 28 1HB ASP 28 52.789 11.328 5.765 191 H ASP 29 H ASP 29 52.071 7.663 3.436 192 HA ASP 29 HA ASP 29 51.322 9.630 1.426 193 1HB ASP 29 2HB ASP 29 51.591 6.690 1.483 194 2HB ASP 29 1HB ASP 29 50.259 7.292 0.506 195 H CYS 30 H CYS 30 49.561 6.910 2.798 196 HA CYS 30 HA CYS 30 47.814 8.483 4.292 197 1HB CYS 30 2HB CYS 30 45.677 8.100 3.128 198 2HB CYS 30 1HB CYS 30 46.750 9.168 2.234 199 H GLY 31 H GLY 31 47.503 5.526 2.326 200 1HA GLY 31 2HA GLY 31 47.022 3.368 2.935 201 2HA GLY 31 1HA GLY 31 47.987 3.707 4.361 202 H ASP 32 H ASP 32 47.014 4.136 6.283 203 HA ASP 32 HA ASP 32 44.259 3.267 6.580 204 1HB ASP 32 2HB ASP 32 45.952 4.557 8.730 205 2HB ASP 32 1HB ASP 32 44.625 3.424 8.935 206 H ARG 33 H ARG 33 46.105 6.073 6.368 207 HA ARG 33 HA ARG 33 44.517 8.093 5.744 208 1HB ARG 33 2HB ARG 33 42.994 8.134 7.528 209 2HB ARG 33 1HB ARG 33 44.175 7.505 8.671 210 1HG ARG 33 2HG ARG 33 43.755 9.775 9.251 211 2HG ARG 33 1HG ARG 33 45.373 9.672 8.534 212 1HD ARG 33 2HD ARG 33 44.462 10.447 6.395 213 2HD ARG 33 1HD ARG 33 42.861 10.583 7.121 214 HE ARG 33 HE ARG 33 43.564 12.468 8.291 215 1HH1 ARG 33 1HH1 ARG 33 46.241 11.069 6.488 216 2HH1 ARG 33 2HH1 ARG 33 47.219 12.496 6.607 217 1HH2 ARG 33 1HH2 ARG 33 44.853 14.345 8.423 218 2HH2 ARG 33 2HH2 ARG 33 46.425 14.357 7.702 219 H SER 34 H SER 34 46.515 7.201 8.402 220 HA SER 34 HA SER 34 48.800 8.537 7.193 221 1HB SER 34 2HB SER 34 48.040 8.557 10.130 222 2HB SER 34 1HB SER 34 49.657 8.952 9.546 223 HG SER 34 HG SER 34 48.690 10.607 8.277 224 H ASP 35 H ASP 35 49.399 6.691 6.305 225 HA ASP 35 HA ASP 35 49.018 4.116 7.359 226 1HB ASP 35 2HB ASP 35 50.707 3.470 5.474 227 2HB ASP 35 1HB ASP 35 49.103 4.068 5.079 228 H GLU 36 H GLU 36 50.993 6.096 8.764 229 HA GLU 36 HA GLU 36 53.081 4.089 9.279 230 1HB GLU 36 2HB GLU 36 52.898 7.027 9.997 231 2HB GLU 36 1HB GLU 36 54.159 5.959 10.596 232 1HG GLU 36 2HG GLU 36 53.641 6.531 7.688 233 2HG GLU 36 1HG GLU 36 54.847 7.352 8.676 234 H SER 37 H SER 37 50.465 3.590 10.096 235 HA SER 37 HA SER 37 50.700 3.843 13.014 236 1HB SER 37 2HB SER 37 48.097 3.927 11.476 237 2HB SER 37 1HB SER 37 48.314 4.160 13.211 238 HG SER 37 HG SER 37 49.201 5.839 11.100 239 H ALA 38 H ALA 38 48.583 2.066 10.700 240 HA ALA 38 HA ALA 38 48.231 0.040 12.715 241 1HB ALA 38 1HB ALA 38 47.129 0.155 9.921 242 2HB ALA 38 2HB ALA 38 46.370 0.849 11.354 243 3HB ALA 38 3HB ALA 38 46.576 -0.899 11.227 244 H SER 39 H SER 39 50.450 0.359 10.173 245 HA SER 39 HA SER 39 50.707 -2.564 9.949 246 1HB SER 39 2HB SER 39 50.298 -1.372 7.829 247 2HB SER 39 1HB SER 39 51.745 -0.403 8.101 248 HG SER 39 HG SER 39 52.324 -3.027 8.306 249 H CYS 40 H CYS 40 52.216 0.245 11.127 250 HA CYS 40 HA CYS 40 54.910 -0.458 10.982 251 1HB CYS 40 2HB CYS 40 53.437 1.343 12.902 252 2HB CYS 40 1HB CYS 40 55.190 1.212 12.834 253 H ALA 41 H ALA 41 55.201 -2.612 11.613 254 HA ALA 41 HA ALA 41 55.211 -3.024 14.512 255 1HB ALA 41 1HB ALA 41 55.869 -5.334 14.006 256 2HB ALA 41 2HB ALA 41 55.907 -4.942 12.287 257 3HB ALA 41 3HB ALA 41 54.381 -4.892 13.170 258 H TYR 42 H TYR 42 57.215 -2.697 11.724 259 HA TYR 42 HA TYR 42 59.413 -2.323 11.355 260 1HB TYR 42 2HB TYR 42 58.733 -0.590 13.689 261 2HB TYR 42 1HB TYR 42 60.393 -0.642 13.107 262 HD1 TYR 42 HD1 TYR 42 61.043 0.670 11.299 263 HD2 TYR 42 HD2 TYR 42 56.901 -0.016 11.962 264 HE1 TYR 42 HE1 TYR 42 60.496 2.296 9.535 265 HE2 TYR 42 HE2 TYR 42 56.345 1.608 10.206 266 HH TYR 42 HH TYR 42 57.340 3.534 9.081 267 HA PRO 43 HA PRO 43 61.553 -5.235 14.200 268 1HB PRO 43 2HB PRO 43 62.015 -6.785 11.771 269 2HB PRO 43 1HB PRO 43 61.305 -7.312 13.299 270 1HG PRO 43 2HG PRO 43 59.872 -7.085 11.006 271 2HG PRO 43 1HG PRO 43 59.170 -6.857 12.616 272 1HD PRO 43 2HD PRO 43 60.025 -4.798 10.615 273 2HD PRO 43 1HD PRO 43 58.598 -4.819 11.675 274 H THR 44 H THR 44 61.817 -3.579 11.251 275 HA THR 44 HA THR 44 64.353 -2.534 11.781 276 HB THR 44 HB THR 44 65.460 -4.440 11.038 277 HG1 THR 44 HG1 THR 44 66.156 -2.575 9.876 278 1HG2 THR 44 1HG2 THR 44 63.363 -5.540 10.134 279 2HG2 THR 44 2HG2 THR 44 64.860 -5.877 9.268 280 3HG2 THR 44 3HG2 THR 44 63.706 -4.723 8.607 281 H CYS 45 H CYS 45 62.662 -3.384 8.815 282 HA CYS 45 HA CYS 45 61.491 -0.773 8.585 283 1HB CYS 45 2HB CYS 45 63.769 -1.608 6.846 284 2HB CYS 45 1HB CYS 45 62.432 -0.743 6.091 285 H PHE 46 H PHE 46 61.447 -4.032 8.142 286 HA PHE 46 HA PHE 46 59.617 -3.949 5.873 287 1HB PHE 46 2HB PHE 46 60.810 -5.726 5.209 288 2HB PHE 46 1HB PHE 46 61.648 -5.807 6.749 289 HD1 PHE 46 HD1 PHE 46 58.372 -6.754 5.211 290 HD2 PHE 46 HD2 PHE 46 61.417 -7.693 8.033 291 HE1 PHE 46 HE1 PHE 46 57.233 -8.868 5.727 292 HE2 PHE 46 HE2 PHE 46 60.280 -9.810 8.558 293 HZ PHE 46 HZ PHE 46 58.186 -10.402 7.401 294 HA PRO 47 HA PRO 47 56.354 -5.122 8.702 295 1HB PRO 47 2HB PRO 47 54.406 -3.678 7.553 296 2HB PRO 47 1HB PRO 47 55.571 -2.950 8.662 297 1HG PRO 47 2HG PRO 47 55.357 -2.688 5.729 298 2HG PRO 47 1HG PRO 47 56.077 -1.586 6.913 299 1HD PRO 47 2HD PRO 47 57.417 -3.489 5.237 300 2HD PRO 47 1HD PRO 47 58.130 -2.403 6.444 301 H LEU 48 H LEU 48 56.854 -5.275 5.321 302 HA LEU 48 HA LEU 48 55.080 -7.558 5.054 303 1HB LEU 48 2HB LEU 48 54.781 -5.031 3.432 304 2HB LEU 48 1HB LEU 48 54.083 -6.571 2.957 305 HG LEU 48 HG LEU 48 53.492 -5.366 5.637 306 1HD1 LEU 48 1HD1 LEU 48 52.908 -3.675 3.982 307 2HD1 LEU 48 2HD1 LEU 48 51.462 -4.402 4.684 308 3HD1 LEU 48 3HD1 LEU 48 51.992 -4.874 3.070 309 1HD2 LEU 48 1HD2 LEU 48 51.446 -6.721 5.413 310 2HD2 LEU 48 2HD2 LEU 48 52.911 -7.699 5.334 311 3HD2 LEU 48 3HD2 LEU 48 52.028 -7.312 3.858 312 H THR 49 H THR 49 57.203 -5.346 3.187 313 HA THR 49 HA THR 49 59.107 -7.296 2.633 314 HB THR 49 HB THR 49 57.356 -8.326 1.257 315 HG1 THR 49 HG1 THR 49 58.692 -8.751 -0.369 316 1HG2 THR 49 1HG2 THR 49 56.047 -6.370 0.622 317 2HG2 THR 49 2HG2 THR 49 56.554 -7.269 -0.808 318 3HG2 THR 49 3HG2 THR 49 57.384 -5.777 -0.364 319 H GLN 50 H GLN 50 60.626 -5.802 2.981 320 HA GLN 50 HA GLN 50 60.648 -3.340 1.412 321 1HB GLN 50 2HB GLN 50 60.641 -3.526 4.418 322 2HB GLN 50 1HB GLN 50 61.181 -2.096 3.557 323 1HG GLN 50 2HG GLN 50 58.456 -3.252 3.123 324 2HG GLN 50 1HG GLN 50 58.798 -2.149 4.455 325 1HE2 GLN 50 1HE2 GLN 50 59.283 -0.021 4.022 326 2HE2 GLN 50 2HE2 GLN 50 58.967 0.725 2.493 327 H PHE 51 H PHE 51 62.619 -2.024 2.009 328 HA PHE 51 HA PHE 51 64.929 -3.622 2.876 329 1HB PHE 51 2HB PHE 51 64.940 -3.436 0.389 330 2HB PHE 51 1HB PHE 51 64.866 -1.686 0.532 331 HD1 PHE 51 HD1 PHE 51 66.983 -4.644 0.845 332 HD2 PHE 51 HD2 PHE 51 66.818 -0.410 1.190 333 HE1 PHE 51 HE1 PHE 51 69.438 -4.554 0.837 334 HE2 PHE 51 HE2 PHE 51 69.271 -0.305 1.211 335 HZ PHE 51 HZ PHE 51 70.586 -2.381 1.034 336 H THR 52 H THR 52 66.572 -2.233 3.940 337 HA THR 52 HA THR 52 65.363 0.311 4.782 338 HB THR 52 HB THR 52 65.725 -1.302 6.631 339 HG1 THR 52 HG1 THR 52 65.848 0.978 7.033 340 1HG2 THR 52 1HG2 THR 52 67.984 -1.792 7.400 341 2HG2 THR 52 2HG2 THR 52 68.653 -0.918 6.021 342 3HG2 THR 52 3HG2 THR 52 67.738 -2.406 5.765 343 H CYS 53 H CYS 53 66.184 2.029 3.797 344 HA CYS 53 HA CYS 53 68.702 2.336 2.674 345 1HB CYS 53 2HB CYS 53 67.038 4.329 4.193 346 2HB CYS 53 1HB CYS 53 68.512 4.751 3.328 347 H ASN 54 H ASN 54 70.734 2.434 3.432 348 HA ASN 54 HA ASN 54 71.291 1.962 6.182 349 1HB ASN 54 2HB ASN 54 73.058 2.683 3.842 350 2HB ASN 54 1HB ASN 54 73.696 2.461 5.468 351 1HD2 ASN 54 1HD2 ASN 54 72.173 0.905 2.755 352 2HD2 ASN 54 2HD2 ASN 54 72.553 -0.713 3.215 353 H ASN 55 H ASN 55 70.693 4.737 4.319 354 HA ASN 55 HA ASN 55 71.853 6.722 5.920 355 1HB ASN 55 2HB ASN 55 70.861 7.033 3.632 356 2HB ASN 55 1HB ASN 55 69.266 6.884 4.358 357 1HD2 ASN 55 1HD2 ASN 55 71.951 8.917 3.770 358 2HD2 ASN 55 2HD2 ASN 55 71.294 10.353 4.473 359 H GLY 56 H GLY 56 69.252 4.558 6.470 360 1HA GLY 56 2HA GLY 56 68.531 4.357 8.792 361 2HA GLY 56 1HA GLY 56 68.458 6.110 8.852 362 H ARG 57 H ARG 57 67.314 5.178 5.886 363 HA ARG 57 HA ARG 57 64.566 5.626 6.796 364 1HB ARG 57 2HB ARG 57 65.661 5.638 3.979 365 2HB ARG 57 1HB ARG 57 64.016 6.045 4.444 366 1HG ARG 57 2HG ARG 57 64.679 8.154 4.534 367 2HG ARG 57 1HG ARG 57 65.600 7.724 5.977 368 1HD ARG 57 2HD ARG 57 67.065 8.815 4.417 369 2HD ARG 57 1HD ARG 57 67.502 7.108 4.524 370 HE ARG 57 HE ARG 57 65.813 7.182 2.408 371 1HH1 ARG 57 1HH1 ARG 57 68.643 9.043 3.257 372 2HH1 ARG 57 2HH1 ARG 57 69.215 9.170 1.616 373 1HH2 ARG 57 1HH2 ARG 57 66.572 7.381 0.220 374 2HH2 ARG 57 2HH2 ARG 57 68.049 8.253 -0.078 375 H CYS 58 H CYS 58 62.905 4.467 5.321 376 HA CYS 58 HA CYS 58 63.724 1.680 4.870 377 1HB CYS 58 2HB CYS 58 60.940 2.716 5.496 378 2HB CYS 58 1HB CYS 58 61.416 1.029 5.329 379 H ILE 59 H ILE 59 63.255 0.823 2.839 380 HA ILE 59 HA ILE 59 61.586 2.437 1.091 381 HB ILE 59 HB ILE 59 63.012 1.999 -0.865 382 1HG1 ILE 59 2HG1 ILE 59 65.173 1.224 1.086 383 2HG1 ILE 59 1HG1 ILE 59 64.203 0.039 0.215 384 1HG2 ILE 59 1HG2 ILE 59 63.119 4.144 0.219 385 2HG2 ILE 59 2HG2 ILE 59 64.719 3.681 -0.366 386 3HG2 ILE 59 3HG2 ILE 59 64.331 3.545 1.350 387 1HD1 ILE 59 1HD1 ILE 59 66.344 0.440 -0.882 388 2HD1 ILE 59 2HD1 ILE 59 65.937 2.146 -1.059 389 3HD1 ILE 59 3HD1 ILE 59 64.991 0.920 -1.911 390 H ASN 60 H ASN 60 61.060 1.159 -0.970 391 HA ASN 60 HA ASN 60 59.867 -1.310 -0.321 392 1HB ASN 60 2HB ASN 60 60.295 0.242 -2.825 393 2HB ASN 60 1HB ASN 60 59.911 -1.465 -2.990 394 1HD2 ASN 60 1HD2 ASN 60 58.689 0.529 -0.369 395 2HD2 ASN 60 2HD2 ASN 60 57.048 0.529 -0.909 396 H ILE 61 H ILE 61 60.397 -3.428 -0.892 397 HA ILE 61 HA ILE 61 63.212 -3.996 -1.126 398 HB ILE 61 HB ILE 61 61.506 -5.391 0.167 399 1HG1 ILE 61 2HG1 ILE 61 63.347 -6.774 -1.806 400 2HG1 ILE 61 1HG1 ILE 61 63.828 -6.100 -0.252 401 1HG2 ILE 61 1HG2 ILE 61 60.370 -7.142 -1.100 402 2HG2 ILE 61 2HG2 ILE 61 60.970 -6.444 -2.605 403 3HG2 ILE 61 3HG2 ILE 61 59.834 -5.539 -1.604 404 1HD1 ILE 61 1HD1 ILE 61 61.931 -8.395 -0.679 405 2HD1 ILE 61 2HD1 ILE 61 62.399 -7.722 0.883 406 3HD1 ILE 61 3HD1 ILE 61 63.606 -8.505 -0.139 407 H ASN 62 H ASN 62 60.887 -3.146 -3.315 408 HA ASN 62 HA ASN 62 61.593 -5.050 -5.403 409 1HB ASN 62 2HB ASN 62 59.220 -4.319 -4.908 410 2HB ASN 62 1HB ASN 62 59.648 -2.741 -5.557 411 1HD2 ASN 62 1HD2 ASN 62 60.877 -5.752 -6.843 412 2HD2 ASN 62 2HD2 ASN 62 60.019 -5.682 -8.338 413 H TRP 63 H TRP 63 63.363 -2.755 -4.351 414 HA TRP 63 HA TRP 63 63.744 -1.370 -6.913 415 1HB TRP 63 2HB TRP 63 64.408 -0.500 -4.106 416 2HB TRP 63 1HB TRP 63 64.983 0.351 -5.541 417 HD1 TRP 63 HD1 TRP 63 61.889 -0.545 -6.813 418 HE1 TRP 63 HE1 TRP 63 60.011 1.146 -6.347 419 HE3 TRP 63 HE3 TRP 63 64.087 2.026 -3.032 420 HZ2 TRP 63 HZ2 TRP 63 59.539 3.311 -4.601 421 HZ3 TRP 63 HZ3 TRP 63 62.866 3.908 -2.002 422 HH2 TRP 63 HH2 TRP 63 60.638 4.532 -2.775 423 H ARG 64 H ARG 64 64.809 -3.950 -5.428 424 HA ARG 64 HA ARG 64 67.632 -3.804 -5.606 425 1HB ARG 64 2HB ARG 64 66.426 -5.577 -4.381 426 2HB ARG 64 1HB ARG 64 65.783 -6.183 -5.898 427 1HG ARG 64 2HG ARG 64 67.539 -7.620 -5.333 428 2HG ARG 64 1HG ARG 64 68.183 -6.575 -6.598 429 1HD ARG 64 2HD ARG 64 69.827 -6.832 -4.849 430 2HD ARG 64 1HD ARG 64 69.238 -5.171 -4.856 431 HE ARG 64 HE ARG 64 67.666 -6.415 -3.020 432 1HH1 ARG 64 1HH1 ARG 64 71.110 -6.273 -3.504 433 2HH1 ARG 64 2HH1 ARG 64 71.494 -6.112 -1.816 434 1HH2 ARG 64 1HH2 ARG 64 68.147 -6.309 -0.763 435 2HH2 ARG 64 2HH2 ARG 64 69.799 -6.190 -0.252 436 H CYS 65 H CYS 65 68.509 -3.081 -7.520 437 HA CYS 65 HA CYS 65 67.412 -4.227 -9.996 438 1HB CYS 65 2HB CYS 65 68.611 -1.502 -9.552 439 2HB CYS 65 1HB CYS 65 68.136 -2.136 -11.123 440 H ASP 66 H ASP 66 70.319 -2.387 -9.334 441 HA ASP 66 HA ASP 66 71.778 -3.806 -11.308 442 1HB ASP 66 2HB ASP 66 72.809 -1.880 -9.215 443 2HB ASP 66 1HB ASP 66 73.634 -2.357 -10.695 444 H ASN 67 H ASN 67 72.867 -3.353 -7.935 445 HA ASN 67 HA ASN 67 73.157 -6.235 -7.804 446 1HB ASN 67 2HB ASN 67 75.292 -6.051 -6.576 447 2HB ASN 67 1HB ASN 67 75.399 -5.478 -8.227 448 1HD2 ASN 67 1HD2 ASN 67 74.179 -3.708 -5.378 449 2HD2 ASN 67 2HD2 ASN 67 75.395 -2.488 -5.436 450 H ASP 68 H ASP 68 72.383 -3.268 -6.218 451 HA ASP 68 HA ASP 68 71.359 -4.907 -4.005 452 1HB ASP 68 2HB ASP 68 73.460 -3.468 -3.463 453 2HB ASP 68 1HB ASP 68 72.327 -2.116 -3.467 454 H ASN 69 H ASN 69 70.108 -2.646 -2.678 455 HA ASN 69 HA ASN 69 67.793 -2.577 -4.519 456 1HB ASN 69 2HB ASN 69 67.691 -3.913 -2.350 457 2HB ASN 69 1HB ASN 69 67.740 -2.372 -1.507 458 1HD2 ASN 69 1HD2 ASN 69 66.020 -0.894 -1.872 459 2HD2 ASN 69 2HD2 ASN 69 64.442 -1.492 -2.271 460 H ASP 70 H ASP 70 67.591 -0.643 -5.417 461 HA ASP 70 HA ASP 70 69.128 1.553 -4.791 462 1HB ASP 70 2HB ASP 70 67.635 0.907 -6.890 463 2HB ASP 70 1HB ASP 70 66.535 2.050 -6.118 464 H CYS 71 H CYS 71 69.105 2.723 -3.042 465 HA CYS 71 HA CYS 71 66.548 3.586 -1.884 466 1HB CYS 71 2HB CYS 71 67.853 2.646 -0.179 467 2HB CYS 71 1HB CYS 71 69.340 3.346 -0.808 468 H GLY 72 H GLY 72 69.587 4.726 -3.257 469 1HA GLY 72 2HA GLY 72 69.158 6.734 -4.695 470 2HA GLY 72 1HA GLY 72 68.434 7.442 -3.266 471 H ASP 73 H ASP 73 70.649 6.310 -1.523 472 HA ASP 73 HA ASP 73 72.901 7.830 -2.454 473 1HB ASP 73 2HB ASP 73 72.933 9.336 -0.454 474 2HB ASP 73 1HB ASP 73 71.653 9.671 -1.613 475 H ASN 74 H ASN 74 74.075 6.054 -2.274 476 HA ASN 74 HA ASN 74 75.962 5.198 -1.334 477 1HB ASN 74 2HB ASN 74 75.144 6.752 1.123 478 2HB ASN 74 1HB ASN 74 76.687 5.939 0.910 479 1HD2 ASN 74 1HD2 ASN 74 74.766 8.688 0.117 480 2HD2 ASN 74 2HD2 ASN 74 75.996 9.569 -0.718 481 H SER 75 H SER 75 73.016 4.226 -0.624 482 HA SER 75 HA SER 75 73.687 2.475 1.584 483 1HB SER 75 2HB SER 75 71.125 2.822 0.030 484 2HB SER 75 1HB SER 75 71.308 1.787 1.449 485 HG SER 75 HG SER 75 71.899 4.562 1.499 486 H ASP 76 H ASP 76 71.879 1.874 -1.249 487 HA ASP 76 HA ASP 76 72.707 -0.819 -1.608 488 1HB ASP 76 2HB ASP 76 71.357 -0.403 -3.773 489 2HB ASP 76 1HB ASP 76 70.509 -0.237 -2.235 490 H GLU 77 H GLU 77 73.010 2.083 -3.586 491 HA GLU 77 HA GLU 77 75.600 1.945 -4.429 492 1HB GLU 77 2HB GLU 77 75.610 0.841 -6.564 493 2HB GLU 77 1HB GLU 77 74.989 -0.303 -5.386 494 1HG GLU 77 2HG GLU 77 72.857 1.210 -6.611 495 2HG GLU 77 1HG GLU 77 73.852 0.398 -7.817 496 H ALA 78 H ALA 78 72.291 2.526 -5.170 497 HA ALA 78 HA ALA 78 71.132 4.165 -6.211 498 1HB ALA 78 1HB ALA 78 72.021 6.426 -6.211 499 2HB ALA 78 2HB ALA 78 73.633 5.811 -5.842 500 3HB ALA 78 3HB ALA 78 72.328 5.631 -4.666 501 H GLY 79 H GLY 79 70.930 3.098 -8.189 502 1HA GLY 79 2HA GLY 79 72.299 4.386 -10.387 503 2HA GLY 79 1HA GLY 79 72.793 2.721 -10.146 504 H CYS 80 H CYS 80 69.778 2.447 -9.178 505 HA CYS 80 HA CYS 80 68.986 1.192 -11.597 506 1HB CYS 80 2HB CYS 80 68.280 0.403 -9.366 507 2HB CYS 80 1HB CYS 80 67.311 1.859 -9.164 508 H SER 81 H SER 81 68.550 2.357 -13.343 509 HA SER 81 HA SER 81 66.412 4.333 -13.212 510 1HB SER 81 2HB SER 81 68.565 5.578 -13.000 511 2HB SER 81 1HB SER 81 69.076 4.901 -14.545 512 HG SER 81 HG SER 81 67.617 6.128 -15.586 513 H HIS 82 HN HIS 82 65.905 5.045 -15.566 514 HA HIS 82 HA HIS 82 66.197 2.741 -17.371 515 1HB HIS 82 2HB HIS 82 63.903 2.898 -16.292 516 2HB HIS 82 1HB HIS 82 63.696 4.436 -17.120 517 HD1 HIS 82 HD1 HIS 82 64.778 3.655 -19.928 518 HD2 HIS 82 HD2 HIS 82 62.205 1.315 -17.647 519 HE1 HIS 82 HE1 HIS 82 63.548 2.151 -21.554 Start of MODEL 13 1 1H SER 1 1HT SER 1 27.258 -3.050 -5.021 2 2H SER 1 2HT SER 1 27.197 -2.188 -6.473 3 3H SER 1 3HT SER 1 27.454 -1.365 -5.019 4 HA SER 1 HA SER 1 29.292 -3.255 -6.361 5 1HB SER 1 2HB SER 1 29.566 -0.314 -5.685 6 2HB SER 1 1HB SER 1 30.768 -1.305 -6.516 7 HG SER 1 HG SER 1 29.051 0.084 -7.718 8 H ALA 2 H ALA 2 31.609 -2.611 -5.202 9 HA ALA 2 HA ALA 2 31.169 -3.186 -2.347 10 1HB ALA 2 1HB ALA 2 33.345 -4.285 -4.129 11 2HB ALA 2 2HB ALA 2 31.939 -5.174 -3.542 12 3HB ALA 2 3HB ALA 2 33.161 -4.604 -2.405 13 H ARG 3 H ARG 3 33.712 -3.049 -1.412 14 HA ARG 3 HA ARG 3 34.766 -0.423 -2.178 15 1HB ARG 3 2HB ARG 3 33.736 -1.235 0.522 16 2HB ARG 3 1HB ARG 3 35.063 -0.092 0.407 17 1HG ARG 3 2HG ARG 3 33.654 1.384 -0.974 18 2HG ARG 3 1HG ARG 3 32.318 0.247 -0.782 19 1HD ARG 3 2HD ARG 3 32.216 0.626 1.561 20 2HD ARG 3 1HD ARG 3 33.743 1.507 1.548 21 HE ARG 3 HE ARG 3 31.822 2.785 -0.109 22 1HH1 ARG 3 1HH1 ARG 3 32.631 2.255 3.265 23 2HH1 ARG 3 2HH1 ARG 3 31.976 3.774 3.785 24 1HH2 ARG 3 1HH2 ARG 3 30.937 4.777 0.571 25 2HH2 ARG 3 2HH2 ARG 3 31.011 5.212 2.253 26 H THR 4 H THR 4 36.596 -0.236 -0.080 27 HA THR 4 HA THR 4 38.648 -0.788 0.605 28 HB THR 4 HB THR 4 39.170 -3.114 1.209 29 HG1 THR 4 HG1 THR 4 37.220 -3.668 -0.586 30 1HG2 THR 4 1HG2 THR 4 36.389 -2.221 1.980 31 2HG2 THR 4 2HG2 THR 4 37.896 -1.721 2.746 32 3HG2 THR 4 3HG2 THR 4 37.371 -3.399 2.851 33 H CYS 5 H CYS 5 40.399 -2.894 -0.025 34 HA CYS 5 HA CYS 5 40.920 -2.489 -2.885 35 1HB CYS 5 2HB CYS 5 41.981 -0.733 -1.260 36 2HB CYS 5 1HB CYS 5 43.069 -2.035 -0.817 37 HA PRO 6 HA PRO 6 41.922 -6.780 -2.590 38 1HB PRO 6 2HB PRO 6 43.869 -6.495 -4.759 39 2HB PRO 6 1HB PRO 6 42.313 -7.325 -4.757 40 1HG PRO 6 2HG PRO 6 42.746 -5.032 -6.125 41 2HG PRO 6 1HG PRO 6 41.167 -5.456 -5.438 42 1HD PRO 6 2HD PRO 6 43.238 -3.556 -4.417 43 2HD PRO 6 1HD PRO 6 41.467 -3.407 -4.416 44 HA PRO 7 HA PRO 7 45.824 -7.753 -0.569 45 1HB PRO 7 2HB PRO 7 46.322 -9.770 -2.697 46 2HB PRO 7 1HB PRO 7 46.333 -9.961 -0.939 47 1HG PRO 7 2HG PRO 7 44.298 -10.874 -2.396 48 2HG PRO 7 1HG PRO 7 44.023 -10.116 -0.818 49 1HD PRO 7 2HD PRO 7 43.587 -9.009 -3.556 50 2HD PRO 7 1HD PRO 7 42.635 -8.775 -2.075 51 H ASN 8 H ASN 8 48.102 -7.523 -0.807 52 HA ASN 8 HA ASN 8 50.012 -6.547 -1.581 53 1HB ASN 8 2HB ASN 8 49.682 -7.972 -3.635 54 2HB ASN 8 1HB ASN 8 48.800 -6.629 -4.359 55 1HD2 ASN 8 1HD2 ASN 8 50.145 -5.992 -5.947 56 2HD2 ASN 8 2HD2 ASN 8 51.783 -5.506 -5.719 57 H GLN 9 H GLN 9 47.086 -5.298 -1.488 58 HA GLN 9 HA GLN 9 47.921 -2.593 -2.203 59 1HB GLN 9 2HB GLN 9 45.744 -4.159 -3.361 60 2HB GLN 9 1HB GLN 9 45.198 -2.632 -2.697 61 1HG GLN 9 2HG GLN 9 45.657 -2.192 -4.931 62 2HG GLN 9 1HG GLN 9 47.024 -1.532 -4.039 63 1HE2 GLN 9 1HE2 GLN 9 46.640 -4.962 -4.611 64 2HE2 GLN 9 2HE2 GLN 9 47.931 -5.116 -5.734 65 H PHE 10 H PHE 10 46.549 -0.987 -1.255 66 HA PHE 10 HA PHE 10 45.359 -1.772 1.287 67 1HB PHE 10 2HB PHE 10 47.533 -1.182 1.990 68 2HB PHE 10 1HB PHE 10 47.664 0.103 0.796 69 HD1 PHE 10 HD1 PHE 10 45.859 -0.864 3.890 70 HD2 PHE 10 HD2 PHE 10 47.245 2.296 1.396 71 HE1 PHE 10 HE1 PHE 10 45.142 0.794 5.580 72 HE2 PHE 10 HE2 PHE 10 46.532 3.945 3.067 73 HZ PHE 10 HZ PHE 10 45.457 3.211 5.147 74 H SER 11 H SER 11 43.571 -0.660 1.692 75 HA SER 11 HA SER 11 42.863 1.564 -0.002 76 1HB SER 11 2HB SER 11 40.532 1.156 0.898 77 2HB SER 11 1HB SER 11 41.190 -0.161 -0.076 78 HG SER 11 HG SER 11 41.438 -0.102 2.743 79 H CYS 12 H CYS 12 43.306 3.397 0.784 80 HA CYS 12 HA CYS 12 44.283 3.892 3.332 81 1HB CYS 12 2HB CYS 12 45.068 5.311 1.698 82 2HB CYS 12 1HB CYS 12 43.486 5.534 0.969 83 H ALA 13 H ALA 13 42.023 6.304 2.690 84 HA ALA 13 HA ALA 13 40.501 5.681 5.069 85 1HB ALA 13 1HB ALA 13 40.321 8.037 3.190 86 2HB ALA 13 2HB ALA 13 41.279 7.969 4.668 87 3HB ALA 13 3HB ALA 13 39.519 7.899 4.761 88 H SER 14 H SER 14 40.025 3.724 3.418 89 HA SER 14 HA SER 14 38.683 2.580 2.018 90 1HB SER 14 2HB SER 14 36.252 2.835 2.408 91 2HB SER 14 1HB SER 14 37.177 2.731 3.901 92 HG SER 14 HG SER 14 37.000 5.292 3.292 93 H GLY 15 H GLY 15 39.725 5.275 1.111 94 1HA GLY 15 2HA GLY 15 37.879 5.650 -1.159 95 2HA GLY 15 1HA GLY 15 38.863 6.940 -0.475 96 H ARG 16 H ARG 16 41.331 6.169 -0.361 97 HA ARG 16 HA ARG 16 42.124 5.700 -3.074 98 1HB ARG 16 2HB ARG 16 43.647 6.124 -0.524 99 2HB ARG 16 1HB ARG 16 44.476 5.569 -1.971 100 1HG ARG 16 2HG ARG 16 44.784 7.778 -2.272 101 2HG ARG 16 1HG ARG 16 43.178 7.681 -2.987 102 1HD ARG 16 2HD ARG 16 42.173 8.365 -0.893 103 2HD ARG 16 1HD ARG 16 43.755 8.403 -0.119 104 HE ARG 16 HE ARG 16 42.726 10.311 -2.085 105 1HH1 ARG 16 1HH1 ARG 16 45.338 9.304 0.027 106 2HH1 ARG 16 2HH1 ARG 16 46.155 10.830 -0.046 107 1HH2 ARG 16 1HH2 ARG 16 43.803 12.331 -2.178 108 2HH2 ARG 16 2HH2 ARG 16 45.276 12.554 -1.294 109 H CYS 17 H CYS 17 42.794 3.899 -3.998 110 HA CYS 17 HA CYS 17 43.143 1.485 -2.354 111 1HB CYS 17 2HB CYS 17 41.135 1.417 -3.786 112 2HB CYS 17 1HB CYS 17 42.127 1.717 -5.201 113 H ILE 18 H ILE 18 45.302 1.403 -2.114 114 HA ILE 18 HA ILE 18 47.023 2.171 -4.387 115 HB ILE 18 HB ILE 18 48.424 3.413 -2.852 116 1HG1 ILE 18 2HG1 ILE 18 47.140 3.513 -0.410 117 2HG1 ILE 18 1HG1 ILE 18 46.991 1.815 -0.844 118 1HG2 ILE 18 1HG2 ILE 18 46.903 5.125 -2.072 119 2HG2 ILE 18 2HG2 ILE 18 45.548 3.992 -2.145 120 3HG2 ILE 18 3HG2 ILE 18 46.344 4.525 -3.636 121 1HD1 ILE 18 1HD1 ILE 18 49.443 1.749 -1.154 122 2HD1 ILE 18 2HD1 ILE 18 48.934 2.110 0.494 123 3HD1 ILE 18 3HD1 ILE 18 49.520 3.405 -0.549 124 HA PRO 19 HA PRO 19 49.163 -1.686 -3.459 125 1HB PRO 19 2HB PRO 19 51.648 -0.381 -4.332 126 2HB PRO 19 1HB PRO 19 50.829 -1.796 -4.999 127 1HG PRO 19 2HG PRO 19 50.881 0.581 -6.286 128 2HG PRO 19 1HG PRO 19 49.520 -0.547 -6.411 129 1HD PRO 19 2HD PRO 19 49.750 1.975 -4.824 130 2HD PRO 19 1HD PRO 19 48.346 1.293 -5.670 131 H ILE 20 H ILE 20 50.234 -2.395 -1.632 132 HA ILE 20 HA ILE 20 50.290 -0.552 0.501 133 HB ILE 20 HB ILE 20 51.428 -3.357 0.435 134 1HG1 ILE 20 2HG1 ILE 20 48.692 -2.215 0.965 135 2HG1 ILE 20 1HG1 ILE 20 49.147 -3.518 -0.123 136 1HG2 ILE 20 1HG2 ILE 20 51.152 -3.317 2.874 137 2HG2 ILE 20 2HG2 ILE 20 50.591 -1.648 2.798 138 3HG2 ILE 20 3HG2 ILE 20 52.251 -2.040 2.354 139 1HD1 ILE 20 1HD1 ILE 20 49.619 -4.941 1.821 140 2HD1 ILE 20 2HD1 ILE 20 47.944 -4.380 1.772 141 3HD1 ILE 20 3HD1 ILE 20 49.090 -3.630 2.879 142 H SER 21 H SER 21 52.727 -1.272 -1.764 143 HA SER 21 HA SER 21 54.954 -0.490 -0.102 144 1HB SER 21 2HB SER 21 54.667 -0.816 -3.098 145 2HB SER 21 1HB SER 21 56.188 -0.468 -2.277 146 HG SER 21 HG SER 21 56.201 -2.454 -1.419 147 H TRP 22 H TRP 22 52.528 1.262 -0.564 148 HA TRP 22 HA TRP 22 53.994 3.706 -1.312 149 1HB TRP 22 2HB TRP 22 51.037 3.150 -1.584 150 2HB TRP 22 1HB TRP 22 51.778 4.718 -1.867 151 HD1 TRP 22 HD1 TRP 22 53.322 1.443 -3.144 152 HE1 TRP 22 HE1 TRP 22 53.294 1.475 -5.696 153 HE3 TRP 22 HE3 TRP 22 50.621 5.710 -3.852 154 HZ2 TRP 22 HZ2 TRP 22 52.263 3.108 -7.774 155 HZ3 TRP 22 HZ3 TRP 22 50.153 6.442 -6.153 156 HH2 TRP 22 HH2 TRP 22 50.956 5.167 -8.075 157 H THR 23 H THR 23 52.366 2.101 1.201 158 HA THR 23 HA THR 23 51.609 4.548 2.560 159 HB THR 23 HB THR 23 49.837 3.175 2.935 160 HG1 THR 23 HG1 THR 23 50.905 3.672 5.001 161 1HG2 THR 23 1HG2 THR 23 51.679 0.783 3.136 162 2HG2 THR 23 2HG2 THR 23 50.757 1.247 1.708 163 3HG2 THR 23 3HG2 THR 23 49.917 0.747 3.176 164 H CYS 24 H CYS 24 53.006 1.653 3.964 165 HA CYS 24 HA CYS 24 54.300 3.079 6.024 166 1HB CYS 24 2HB CYS 24 54.621 0.194 5.197 167 2HB CYS 24 1HB CYS 24 55.091 0.898 6.740 168 H ASP 25 H ASP 25 55.373 4.249 3.858 169 HA ASP 25 HA ASP 25 57.970 2.923 3.392 170 1HB ASP 25 2HB ASP 25 56.342 4.585 1.460 171 2HB ASP 25 1HB ASP 25 57.932 3.903 1.123 172 H LEU 26 H LEU 26 57.003 5.072 5.299 173 HA LEU 26 HA LEU 26 58.072 6.727 6.412 174 1HB LEU 26 2HB LEU 26 60.166 6.435 4.259 175 2HB LEU 26 1HB LEU 26 60.303 7.553 5.604 176 HG LEU 26 HG LEU 26 60.088 4.544 5.860 177 1HD1 LEU 26 1HD1 LEU 26 62.428 4.646 6.530 178 2HD1 LEU 26 2HD1 LEU 26 62.452 6.385 6.223 179 3HD1 LEU 26 3HD1 LEU 26 62.218 5.254 4.888 180 1HD2 LEU 26 1HD2 LEU 26 60.630 6.666 7.938 181 2HD2 LEU 26 2HD2 LEU 26 60.612 4.923 8.204 182 3HD2 LEU 26 3HD2 LEU 26 59.126 5.760 7.759 183 H ASP 27 H ASP 27 56.103 7.056 4.359 184 HA ASP 27 HA ASP 27 56.075 9.900 4.319 185 1HB ASP 27 2HB ASP 27 57.444 9.434 2.257 186 2HB ASP 27 1HB ASP 27 56.061 8.562 1.600 187 H ASP 28 H ASP 28 54.158 9.984 5.238 188 HA ASP 28 HA ASP 28 52.172 7.988 5.051 189 1HB ASP 28 2HB ASP 28 52.686 9.735 6.919 190 2HB ASP 28 1HB ASP 28 51.655 10.809 5.986 191 H ASP 29 H ASP 29 51.174 7.637 3.101 192 HA ASP 29 HA ASP 29 50.583 9.760 1.300 193 1HB ASP 29 2HB ASP 29 49.461 8.138 -0.104 194 2HB ASP 29 1HB ASP 29 50.961 7.448 0.481 195 H CYS 30 H CYS 30 48.585 7.734 3.341 196 HA CYS 30 HA CYS 30 47.380 9.889 4.554 197 1HB CYS 30 2HB CYS 30 45.006 9.556 3.794 198 2HB CYS 30 1HB CYS 30 46.069 10.349 2.642 199 H GLY 31 H GLY 31 46.075 6.745 3.504 200 1HA GLY 31 2HA GLY 31 45.025 5.100 4.716 201 2HA GLY 31 1HA GLY 31 46.242 5.402 5.950 202 H ASP 32 H ASP 32 45.819 6.796 7.609 203 HA ASP 32 HA ASP 32 43.134 8.008 7.746 204 1HB ASP 32 2HB ASP 32 43.260 5.869 9.138 205 2HB ASP 32 1HB ASP 32 44.447 6.696 10.142 206 H ARG 33 H ARG 33 45.596 9.041 6.922 207 HA ARG 33 HA ARG 33 47.030 10.785 7.174 208 1HB ARG 33 2HB ARG 33 45.514 11.450 9.707 209 2HB ARG 33 1HB ARG 33 46.537 12.529 8.756 210 1HG ARG 33 2HG ARG 33 44.953 12.896 7.211 211 2HG ARG 33 1HG ARG 33 44.366 11.229 7.291 212 1HD ARG 33 2HD ARG 33 43.816 13.363 9.365 213 2HD ARG 33 1HD ARG 33 42.697 12.895 8.085 214 HE ARG 33 HE ARG 33 43.626 10.769 9.860 215 1HH1 ARG 33 1HH1 ARG 33 41.092 13.056 9.080 216 2HH1 ARG 33 2HH1 ARG 33 39.864 12.189 9.935 217 1HH2 ARG 33 1HH2 ARG 33 42.019 9.608 10.997 218 2HH2 ARG 33 2HH2 ARG 33 40.389 10.217 11.023 219 H SER 34 H SER 34 47.176 8.170 8.301 220 HA SER 34 HA SER 34 49.589 8.272 9.757 221 1HB SER 34 2HB SER 34 47.077 7.448 11.246 222 2HB SER 34 1HB SER 34 48.714 7.123 11.810 223 HG SER 34 HG SER 34 48.389 9.737 11.175 224 H ASP 35 H ASP 35 48.288 7.126 7.349 225 HA ASP 35 HA ASP 35 47.581 4.468 7.436 226 1HB ASP 35 2HB ASP 35 48.597 4.132 5.235 227 2HB ASP 35 1HB ASP 35 47.685 5.633 5.320 228 H GLU 36 H GLU 36 50.808 5.710 7.724 229 HA GLU 36 HA GLU 36 51.755 2.967 8.171 230 1HB GLU 36 2HB GLU 36 53.987 3.790 7.629 231 2HB GLU 36 1HB GLU 36 52.854 4.099 6.323 232 1HG GLU 36 2HG GLU 36 52.959 6.352 6.574 233 2HG GLU 36 1HG GLU 36 53.257 6.257 8.309 234 H SER 37 H SER 37 51.826 6.195 9.418 235 HA SER 37 HA SER 37 53.809 5.820 11.369 236 1HB SER 37 2HB SER 37 52.768 7.971 12.335 237 2HB SER 37 1HB SER 37 53.415 8.037 10.695 238 HG SER 37 HG SER 37 51.458 8.281 9.908 239 H ALA 38 H ALA 38 50.321 5.370 11.494 240 HA ALA 38 HA ALA 38 50.604 4.612 14.328 241 1HB ALA 38 1HB ALA 38 49.035 6.463 13.879 242 2HB ALA 38 2HB ALA 38 48.257 5.059 14.611 243 3HB ALA 38 3HB ALA 38 48.070 5.373 12.885 244 H SER 39 H SER 39 50.673 3.156 11.455 245 HA SER 39 HA SER 39 49.014 0.900 12.362 246 1HB SER 39 2HB SER 39 49.731 1.507 9.492 247 2HB SER 39 1HB SER 39 48.558 0.329 10.084 248 HG SER 39 HG SER 39 48.148 2.864 9.468 249 H CYS 40 H CYS 40 52.032 1.705 10.546 250 HA CYS 40 HA CYS 40 52.783 -1.087 10.762 251 1HB CYS 40 2HB CYS 40 53.698 1.248 9.163 252 2HB CYS 40 1HB CYS 40 54.862 -0.042 9.484 253 H ALA 41 H ALA 41 53.448 -1.557 12.783 254 HA ALA 41 HA ALA 41 55.470 0.028 14.096 255 1HB ALA 41 1HB ALA 41 55.567 -1.802 15.713 256 2HB ALA 41 2HB ALA 41 54.549 -2.796 14.673 257 3HB ALA 41 3HB ALA 41 53.892 -1.333 15.403 258 H TYR 42 H TYR 42 57.080 0.209 12.572 259 HA TYR 42 HA TYR 42 57.905 -1.758 10.783 260 1HB TYR 42 2HB TYR 42 59.423 0.646 11.813 261 2HB TYR 42 1HB TYR 42 59.883 -0.303 10.407 262 HD1 TYR 42 HD1 TYR 42 57.247 1.951 11.755 263 HD2 TYR 42 HD2 TYR 42 58.885 0.089 8.290 264 HE1 TYR 42 HE1 TYR 42 55.878 3.397 10.329 265 HE2 TYR 42 HE2 TYR 42 57.483 1.522 6.862 266 HH TYR 42 HH TYR 42 55.952 4.270 7.984 267 HA PRO 43 HA PRO 43 60.639 -4.042 13.561 268 1HB PRO 43 2HB PRO 43 60.406 -6.417 12.326 269 2HB PRO 43 1HB PRO 43 59.155 -5.811 13.415 270 1HG PRO 43 2HG PRO 43 59.188 -5.933 10.443 271 2HG PRO 43 1HG PRO 43 57.824 -6.094 11.562 272 1HD PRO 43 2HD PRO 43 58.527 -3.788 10.116 273 2HD PRO 43 1HD PRO 43 57.385 -3.869 11.470 274 H THR 44 H THR 44 60.514 -4.145 10.043 275 HA THR 44 HA THR 44 63.318 -3.500 9.843 276 HB THR 44 HB THR 44 63.305 -5.988 9.981 277 HG1 THR 44 HG1 THR 44 64.037 -4.880 7.456 278 1HG2 THR 44 1HG2 THR 44 61.715 -5.838 7.416 279 2HG2 THR 44 2HG2 THR 44 61.125 -6.426 8.971 280 3HG2 THR 44 3HG2 THR 44 62.399 -7.302 8.124 281 H CYS 45 H CYS 45 60.509 -2.581 9.185 282 HA CYS 45 HA CYS 45 59.300 -1.574 7.565 283 1HB CYS 45 2HB CYS 45 61.994 -1.304 6.217 284 2HB CYS 45 1HB CYS 45 60.541 -0.411 5.781 285 H PHE 46 H PHE 46 58.258 -3.605 7.158 286 HA PHE 46 HA PHE 46 58.138 -4.229 4.419 287 1HB PHE 46 2HB PHE 46 60.131 -5.493 4.683 288 2HB PHE 46 1HB PHE 46 59.590 -6.180 6.204 289 HD1 PHE 46 HD1 PHE 46 59.439 -8.427 6.013 290 HD2 PHE 46 HD2 PHE 46 57.995 -6.043 2.774 291 HE1 PHE 46 HE1 PHE 46 58.686 -10.458 4.851 292 HE2 PHE 46 HE2 PHE 46 57.254 -8.079 1.625 293 HZ PHE 46 HZ PHE 46 57.600 -10.288 2.660 294 HA PRO 47 HA PRO 47 54.355 -5.684 6.471 295 1HB PRO 47 2HB PRO 47 52.692 -3.736 5.751 296 2HB PRO 47 1HB PRO 47 53.796 -3.515 7.114 297 1HG PRO 47 2HG PRO 47 53.943 -2.401 4.360 298 2HG PRO 47 1HG PRO 47 54.510 -1.702 5.884 299 1HD PRO 47 2HD PRO 47 56.048 -3.089 3.943 300 2HD PRO 47 1HD PRO 47 56.581 -2.536 5.543 301 H LEU 48 H LEU 48 55.562 -5.048 3.435 302 HA LEU 48 HA LEU 48 53.635 -6.755 2.127 303 1HB LEU 48 2HB LEU 48 52.545 -4.605 1.833 304 2HB LEU 48 1HB LEU 48 54.037 -3.888 1.235 305 HG LEU 48 HG LEU 48 53.930 -5.755 -0.551 306 1HD1 LEU 48 1HD1 LEU 48 51.049 -5.630 0.317 307 2HD1 LEU 48 2HD1 LEU 48 52.125 -7.025 0.416 308 3HD1 LEU 48 3HD1 LEU 48 51.641 -6.395 -1.160 309 1HD2 LEU 48 1HD2 LEU 48 52.517 -4.301 -2.000 310 2HD2 LEU 48 2HD2 LEU 48 53.784 -3.439 -1.126 311 3HD2 LEU 48 3HD2 LEU 48 52.116 -3.345 -0.566 312 H THR 49 H THR 49 56.202 -4.417 1.421 313 HA THR 49 HA THR 49 57.872 -6.147 -0.003 314 HB THR 49 HB THR 49 55.537 -5.006 -1.449 315 HG1 THR 49 HG1 THR 49 55.950 -7.291 -1.000 316 1HG2 THR 49 1HG2 THR 49 56.687 -5.063 -3.602 317 2HG2 THR 49 2HG2 THR 49 58.228 -5.250 -2.760 318 3HG2 THR 49 3HG2 THR 49 57.271 -3.781 -2.547 319 H GLN 50 H GLN 50 59.488 -5.008 0.905 320 HA GLN 50 HA GLN 50 60.115 -2.383 -0.155 321 1HB GLN 50 2HB GLN 50 60.113 -2.777 2.839 322 2HB GLN 50 1HB GLN 50 60.423 -1.294 1.955 323 1HG GLN 50 2HG GLN 50 58.034 -1.342 1.217 324 2HG GLN 50 1HG GLN 50 57.788 -2.699 2.317 325 1HE2 GLN 50 1HE2 GLN 50 58.158 0.700 2.013 326 2HE2 GLN 50 2HE2 GLN 50 57.916 1.080 3.688 327 H PHE 51 H PHE 51 62.302 -1.716 0.999 328 HA PHE 51 HA PHE 51 63.931 -4.092 1.547 329 1HB PHE 51 2HB PHE 51 64.271 -3.307 -0.818 330 2HB PHE 51 1HB PHE 51 64.806 -1.759 -0.181 331 HD1 PHE 51 HD1 PHE 51 67.045 -1.443 0.506 332 HD2 PHE 51 HD2 PHE 51 65.598 -5.366 -0.276 333 HE1 PHE 51 HE1 PHE 51 69.337 -2.310 0.649 334 HE2 PHE 51 HE2 PHE 51 67.889 -6.234 -0.151 335 HZ PHE 51 HZ PHE 51 69.763 -4.714 0.324 336 H THR 52 H THR 52 65.661 -3.683 3.000 337 HA THR 52 HA THR 52 65.259 -1.242 4.569 338 HB THR 52 HB THR 52 66.800 -3.630 5.537 339 HG1 THR 52 HG1 THR 52 63.989 -3.366 5.905 340 1HG2 THR 52 1HG2 THR 52 65.064 -1.587 6.921 341 2HG2 THR 52 2HG2 THR 52 66.825 -1.572 6.861 342 3HG2 THR 52 3HG2 THR 52 65.982 -2.866 7.713 343 H CYS 53 H CYS 53 66.624 0.225 3.642 344 HA CYS 53 HA CYS 53 69.142 -0.397 2.564 345 1HB CYS 53 2HB CYS 53 67.845 1.630 2.066 346 2HB CYS 53 1HB CYS 53 68.207 2.226 3.683 347 H ASN 54 H ASN 54 71.113 -0.545 3.361 348 HA ASN 54 HA ASN 54 71.465 -1.004 6.142 349 1HB ASN 54 2HB ASN 54 73.449 -0.777 3.873 350 2HB ASN 54 1HB ASN 54 73.881 -1.270 5.509 351 1HD2 ASN 54 1HD2 ASN 54 72.029 -2.114 2.656 352 2HD2 ASN 54 2HD2 ASN 54 71.926 -3.808 2.996 353 H ASN 55 H ASN 55 71.697 1.778 4.170 354 HA ASN 55 HA ASN 55 73.329 3.419 5.731 355 1HB ASN 55 2HB ASN 55 72.742 4.169 3.556 356 2HB ASN 55 1HB ASN 55 71.024 3.961 3.866 357 1HD2 ASN 55 1HD2 ASN 55 73.841 5.947 4.497 358 2HD2 ASN 55 2HD2 ASN 55 72.953 7.356 4.990 359 H GLY 56 H GLY 56 70.188 2.141 6.263 360 1HA GLY 56 2HA GLY 56 69.470 2.093 8.609 361 2HA GLY 56 1HA GLY 56 69.936 3.789 8.705 362 H ARG 57 H ARG 57 68.793 3.645 5.780 363 HA ARG 57 HA ARG 57 66.157 4.588 6.588 364 1HB ARG 57 2HB ARG 57 66.550 6.156 5.049 365 2HB ARG 57 1HB ARG 57 68.096 5.409 4.694 366 1HG ARG 57 2HG ARG 57 66.017 3.985 3.359 367 2HG ARG 57 1HG ARG 57 65.887 5.712 3.001 368 1HD ARG 57 2HD ARG 57 68.159 3.821 2.475 369 2HD ARG 57 1HD ARG 57 67.326 4.890 1.351 370 HE ARG 57 HE ARG 57 68.861 6.163 3.474 371 1HH1 ARG 57 1HH1 ARG 57 68.669 5.217 0.100 372 2HH1 ARG 57 2HH1 ARG 57 70.026 6.181 -0.384 373 1HH2 ARG 57 1HH2 ARG 57 70.668 7.425 2.839 374 2HH2 ARG 57 2HH2 ARG 57 71.167 7.428 1.177 375 H CYS 58 H CYS 58 64.254 3.834 5.381 376 HA CYS 58 HA CYS 58 64.633 1.099 4.368 377 1HB CYS 58 2HB CYS 58 62.086 2.427 5.327 378 2HB CYS 58 1HB CYS 58 62.288 0.731 4.897 379 H ILE 59 H ILE 59 64.428 0.802 2.233 380 HA ILE 59 HA ILE 59 63.012 2.874 0.745 381 HB ILE 59 HB ILE 59 64.324 2.268 -1.255 382 1HG1 ILE 59 2HG1 ILE 59 65.961 0.593 0.664 383 2HG1 ILE 59 1HG1 ILE 59 64.944 -0.026 -0.633 384 1HG2 ILE 59 1HG2 ILE 59 64.968 4.164 0.101 385 2HG2 ILE 59 2HG2 ILE 59 66.392 3.369 -0.569 386 3HG2 ILE 59 3HG2 ILE 59 65.961 3.122 1.122 387 1HD1 ILE 59 1HD1 ILE 59 67.397 1.686 -0.969 388 2HD1 ILE 59 2HD1 ILE 59 66.370 1.100 -2.277 389 3HD1 ILE 59 3HD1 ILE 59 67.274 -0.044 -1.283 390 H ASN 60 H ASN 60 62.584 1.638 -1.676 391 HA ASN 60 HA ASN 60 60.664 -0.412 -0.850 392 1HB ASN 60 2HB ASN 60 61.013 0.836 -3.587 393 2HB ASN 60 1HB ASN 60 59.682 -0.191 -3.067 394 1HD2 ASN 60 1HD2 ASN 60 58.151 0.652 -1.600 395 2HD2 ASN 60 2HD2 ASN 60 57.963 2.351 -1.372 396 H ILE 61 H ILE 61 60.471 -2.383 -2.209 397 HA ILE 61 HA ILE 61 63.049 -3.605 -2.472 398 HB ILE 61 HB ILE 61 60.550 -4.543 -1.865 399 1HG1 ILE 61 2HG1 ILE 61 62.686 -5.551 -1.209 400 2HG1 ILE 61 1HG1 ILE 61 61.568 -6.765 -1.810 401 1HG2 ILE 61 1HG2 ILE 61 59.884 -6.159 -3.550 402 2HG2 ILE 61 2HG2 ILE 61 61.165 -5.586 -4.620 403 3HG2 ILE 61 3HG2 ILE 61 59.830 -4.517 -4.192 404 1HD1 ILE 61 1HD1 ILE 61 62.758 -6.776 -3.954 405 2HD1 ILE 61 2HD1 ILE 61 63.806 -7.192 -2.598 406 3HD1 ILE 61 3HD1 ILE 61 63.888 -5.584 -3.313 407 H ASN 62 H ASN 62 61.277 -1.646 -4.436 408 HA ASN 62 HA ASN 62 62.094 -2.897 -6.956 409 1HB ASN 62 2HB ASN 62 60.203 -0.595 -6.410 410 2HB ASN 62 1HB ASN 62 60.621 -1.175 -8.015 411 1HD2 ASN 62 1HD2 ASN 62 58.593 -1.773 -8.576 412 2HD2 ASN 62 2HD2 ASN 62 57.751 -3.097 -7.855 413 H TRP 63 H TRP 63 64.044 -1.621 -5.207 414 HA TRP 63 HA TRP 63 64.741 0.777 -6.777 415 1HB TRP 63 2HB TRP 63 65.460 -0.064 -3.975 416 2HB TRP 63 1HB TRP 63 66.395 1.158 -4.830 417 HD1 TRP 63 HD1 TRP 63 62.538 0.737 -4.604 418 HE1 TRP 63 HE1 TRP 63 61.545 2.957 -3.748 419 HE3 TRP 63 HE3 TRP 63 66.860 3.323 -3.883 420 HZ2 TRP 63 HZ2 TRP 63 62.477 5.467 -2.884 421 HZ3 TRP 63 HZ3 TRP 63 66.738 5.636 -3.051 422 HH2 TRP 63 HH2 TRP 63 64.589 6.690 -2.560 423 H ARG 64 H ARG 64 65.170 -2.257 -7.094 424 HA ARG 64 HA ARG 64 67.993 -2.571 -7.438 425 1HB ARG 64 2HB ARG 64 65.842 -4.049 -8.963 426 2HB ARG 64 1HB ARG 64 67.468 -4.598 -8.598 427 1HG ARG 64 2HG ARG 64 65.583 -4.080 -6.358 428 2HG ARG 64 1HG ARG 64 65.402 -5.545 -7.322 429 1HD ARG 64 2HD ARG 64 67.905 -5.889 -6.895 430 2HD ARG 64 1HD ARG 64 67.719 -4.677 -5.628 431 HE ARG 64 HE ARG 64 65.749 -6.456 -5.088 432 1HH1 ARG 64 1HH1 ARG 64 69.157 -6.835 -5.730 433 2HH1 ARG 64 2HH1 ARG 64 69.392 -8.069 -4.531 434 1HH2 ARG 64 1HH2 ARG 64 66.016 -8.144 -3.537 435 2HH2 ARG 64 2HH2 ARG 64 67.583 -8.845 -3.306 436 H CYS 65 H CYS 65 68.912 -0.981 -8.787 437 HA CYS 65 HA CYS 65 67.548 -0.499 -11.324 438 1HB CYS 65 2HB CYS 65 69.112 1.367 -11.634 439 2HB CYS 65 1HB CYS 65 68.238 1.492 -10.113 440 H ASP 66 H ASP 66 70.236 -2.135 -10.017 441 HA ASP 66 HA ASP 66 70.821 -3.191 -12.662 442 1HB ASP 66 2HB ASP 66 73.278 -3.017 -12.281 443 2HB ASP 66 1HB ASP 66 72.477 -1.468 -12.484 444 H ASN 67 H ASN 67 71.791 -3.491 -9.214 445 HA ASN 67 HA ASN 67 71.467 -6.370 -9.585 446 1HB ASN 67 2HB ASN 67 73.854 -5.863 -9.478 447 2HB ASN 67 1HB ASN 67 73.618 -5.047 -7.937 448 1HD2 ASN 67 1HD2 ASN 67 73.547 -6.204 -6.097 449 2HD2 ASN 67 2HD2 ASN 67 73.712 -7.932 -6.028 450 H ASP 68 H ASP 68 72.079 -4.258 -6.744 451 HA ASP 68 HA ASP 68 69.688 -5.501 -5.548 452 1HB ASP 68 2HB ASP 68 72.125 -5.619 -4.458 453 2HB ASP 68 1HB ASP 68 71.642 -4.045 -3.828 454 H ASN 69 H ASN 69 69.665 -3.385 -3.422 455 HA ASN 69 HA ASN 69 67.950 -1.677 -5.096 456 1HB ASN 69 2HB ASN 69 67.787 -2.340 -2.153 457 2HB ASN 69 1HB ASN 69 66.698 -1.239 -2.990 458 1HD2 ASN 69 1HD2 ASN 69 67.745 -4.536 -2.647 459 2HD2 ASN 69 2HD2 ASN 69 66.334 -5.250 -3.356 460 H ASP 70 H ASP 70 68.533 0.242 -5.460 461 HA ASP 70 HA ASP 70 70.977 1.266 -4.715 462 1HB ASP 70 2HB ASP 70 69.577 1.788 -6.753 463 2HB ASP 70 1HB ASP 70 68.696 2.923 -5.729 464 H CYS 71 H CYS 71 71.683 2.183 -3.013 465 HA CYS 71 HA CYS 71 69.997 4.183 -1.658 466 1HB CYS 71 2HB CYS 71 72.156 2.409 -0.527 467 2HB CYS 71 1HB CYS 71 71.501 3.803 0.324 468 H GLY 72 H GLY 72 72.955 3.408 -3.238 469 1HA GLY 72 2HA GLY 72 74.640 4.771 -4.010 470 2HA GLY 72 1HA GLY 72 73.782 6.151 -3.335 471 H ASP 73 H ASP 73 74.091 3.806 -0.988 472 HA ASP 73 HA ASP 73 76.669 4.746 -0.035 473 1HB ASP 73 2HB ASP 73 75.242 6.436 0.882 474 2HB ASP 73 1HB ASP 73 74.081 5.235 1.441 475 H ASN 74 H ASN 74 77.119 2.518 -0.480 476 HA ASN 74 HA ASN 74 77.954 0.589 0.376 477 1HB ASN 74 2HB ASN 74 77.344 2.018 2.962 478 2HB ASN 74 1HB ASN 74 78.264 0.519 2.864 479 1HD2 ASN 74 1HD2 ASN 74 78.285 3.941 2.358 480 2HD2 ASN 74 2HD2 ASN 74 79.969 4.066 1.972 481 H SER 75 H SER 75 74.833 0.912 0.210 482 HA SER 75 HA SER 75 74.057 -1.137 2.102 483 1HB SER 75 2HB SER 75 72.634 0.859 1.808 484 2HB SER 75 1HB SER 75 72.367 0.392 0.128 485 HG SER 75 HG SER 75 70.998 -1.101 0.747 486 H ASP 76 H ASP 76 72.778 -0.750 -1.067 487 HA ASP 76 HA ASP 76 72.480 -3.416 -1.741 488 1HB ASP 76 2HB ASP 76 72.475 -2.363 -4.133 489 2HB ASP 76 1HB ASP 76 71.244 -1.855 -2.972 490 H GLU 77 H GLU 77 74.871 -1.161 -2.966 491 HA GLU 77 HA GLU 77 77.110 -2.818 -2.954 492 1HB GLU 77 2HB GLU 77 77.324 -3.333 -5.374 493 2HB GLU 77 1HB GLU 77 76.007 -4.201 -4.601 494 1HG GLU 77 2HG GLU 77 75.215 -1.648 -5.817 495 2HG GLU 77 1HG GLU 77 75.824 -2.847 -6.958 496 H ALA 78 H ALA 78 75.359 -0.120 -4.139 497 HA ALA 78 HA ALA 78 75.960 2.033 -4.527 498 1HB ALA 78 1HB ALA 78 78.251 2.829 -4.196 499 2HB ALA 78 2HB ALA 78 78.810 1.165 -4.019 500 3HB ALA 78 3HB ALA 78 77.714 1.858 -2.825 501 H GLY 79 H GLY 79 75.561 0.067 -6.469 502 1HA GLY 79 2HA GLY 79 77.526 0.491 -8.564 503 2HA GLY 79 1HA GLY 79 76.096 -0.524 -8.661 504 H CYS 80 H CYS 80 74.678 0.146 -10.087 505 HA CYS 80 HA CYS 80 73.496 1.474 -11.507 506 1HB CYS 80 2HB CYS 80 73.049 2.370 -8.915 507 2HB CYS 80 1HB CYS 80 73.382 3.848 -9.813 508 H SER 81 H SER 81 76.431 1.677 -11.521 509 HA SER 81 HA SER 81 77.134 4.426 -11.880 510 1HB SER 81 2HB SER 81 78.735 1.965 -12.595 511 2HB SER 81 1HB SER 81 79.355 3.592 -12.308 512 HG SER 81 HG SER 81 77.951 2.950 -10.177 513 H HIS 82 HN HIS 82 76.281 1.767 -13.982 514 HA HIS 82 HA HIS 82 75.808 1.624 -16.184 515 1HB HIS 82 2HB HIS 82 75.752 4.639 -15.976 516 2HB HIS 82 1HB HIS 82 75.318 3.757 -17.436 517 HD1 HIS 82 HD1 HIS 82 74.095 4.359 -13.897 518 HD2 HIS 82 HD2 HIS 82 72.814 2.647 -17.464 519 HE1 HIS 82 HE1 HIS 82 71.629 3.883 -13.615 Start of MODEL 14 1 1H SER 1 1HT SER 1 34.431 -4.176 -2.613 2 2H SER 1 2HT SER 1 35.583 -5.043 -3.499 3 3H SER 1 3HT SER 1 36.075 -3.844 -2.405 4 HA SER 1 HA SER 1 34.707 -6.367 -1.709 5 1HB SER 1 2HB SER 1 37.545 -5.533 -1.065 6 2HB SER 1 1HB SER 1 36.799 -7.112 -0.809 7 HG SER 1 HG SER 1 36.971 -7.564 -2.898 8 H ALA 2 H ALA 2 36.922 -4.120 -0.044 9 HA ALA 2 HA ALA 2 34.828 -3.736 1.990 10 1HB ALA 2 1HB ALA 2 36.617 -5.211 2.807 11 2HB ALA 2 2HB ALA 2 36.564 -3.690 3.697 12 3HB ALA 2 3HB ALA 2 37.803 -3.951 2.468 13 H ARG 3 H ARG 3 35.702 -1.779 3.483 14 HA ARG 3 HA ARG 3 35.698 0.505 1.706 15 1HB ARG 3 2HB ARG 3 34.360 0.251 3.895 16 2HB ARG 3 1HB ARG 3 35.875 0.592 4.718 17 1HG ARG 3 2HG ARG 3 35.981 2.727 3.370 18 2HG ARG 3 1HG ARG 3 34.315 2.395 2.892 19 1HD ARG 3 2HD ARG 3 34.247 3.873 4.765 20 2HD ARG 3 1HD ARG 3 33.729 2.283 5.318 21 HE ARG 3 HE ARG 3 36.500 2.559 5.724 22 1HH1 ARG 3 1HH1 ARG 3 33.453 3.753 7.002 23 2HH1 ARG 3 2HH1 ARG 3 34.109 4.067 8.581 24 1HH2 ARG 3 1HH2 ARG 3 37.339 2.990 7.807 25 2HH2 ARG 3 2HH2 ARG 3 36.296 3.625 9.045 26 H THR 4 H THR 4 38.091 -1.327 2.122 27 HA THR 4 HA THR 4 40.058 0.804 2.462 28 HB THR 4 HB THR 4 40.003 -0.302 4.627 29 HG1 THR 4 HG1 THR 4 42.275 -1.051 3.080 30 1HG2 THR 4 1HG2 THR 4 40.510 -2.675 4.893 31 2HG2 THR 4 2HG2 THR 4 40.574 -2.867 3.140 32 3HG2 THR 4 3HG2 THR 4 39.053 -2.447 3.928 33 H CYS 5 H CYS 5 38.933 -0.497 0.154 34 HA CYS 5 HA CYS 5 39.587 -1.289 -1.863 35 1HB CYS 5 2HB CYS 5 42.284 -0.951 -0.578 36 2HB CYS 5 1HB CYS 5 42.125 -1.682 -2.174 37 HA PRO 6 HA PRO 6 39.805 -5.779 -1.743 38 1HB PRO 6 2HB PRO 6 42.255 -5.736 -3.433 39 2HB PRO 6 1HB PRO 6 40.742 -6.614 -3.670 40 1HG PRO 6 2HG PRO 6 41.286 -4.467 -5.132 41 2HG PRO 6 1HG PRO 6 39.640 -4.753 -4.530 42 1HD PRO 6 2HD PRO 6 41.725 -2.854 -3.534 43 2HD PRO 6 1HD PRO 6 39.969 -2.632 -3.672 44 HA PRO 7 HA PRO 7 42.585 -7.000 1.460 45 1HB PRO 7 2HB PRO 7 42.903 -9.625 0.117 46 2HB PRO 7 1HB PRO 7 42.309 -9.254 1.739 47 1HG PRO 7 2HG PRO 7 40.643 -10.023 -0.202 48 2HG PRO 7 1HG PRO 7 40.164 -8.797 0.988 49 1HD PRO 7 2HD PRO 7 41.046 -8.457 -1.851 50 2HD PRO 7 1HD PRO 7 39.776 -7.597 -0.957 51 H ASN 8 H ASN 8 43.618 -7.577 -1.845 52 HA ASN 8 HA ASN 8 46.421 -7.811 -1.052 53 1HB ASN 8 2HB ASN 8 45.217 -9.188 -2.925 54 2HB ASN 8 1HB ASN 8 45.447 -7.741 -3.899 55 1HD2 ASN 8 1HD2 ASN 8 47.527 -7.147 -4.515 56 2HD2 ASN 8 2HD2 ASN 8 48.861 -8.236 -4.399 57 H GLN 9 H GLN 9 44.640 -5.371 -0.898 58 HA GLN 9 HA GLN 9 46.385 -3.494 -2.297 59 1HB GLN 9 2HB GLN 9 43.660 -4.056 -3.000 60 2HB GLN 9 1HB GLN 9 43.758 -2.430 -2.347 61 1HG GLN 9 2HG GLN 9 44.010 -2.248 -4.682 62 2HG GLN 9 1HG GLN 9 45.597 -1.975 -3.971 63 1HE2 GLN 9 1HE2 GLN 9 44.180 -5.153 -4.275 64 2HE2 GLN 9 2HE2 GLN 9 45.260 -5.733 -5.484 65 H PHE 10 H PHE 10 45.719 -1.225 -1.588 66 HA PHE 10 HA PHE 10 44.813 -1.140 1.187 67 1HB PHE 10 2HB PHE 10 47.222 -1.205 1.356 68 2HB PHE 10 1HB PHE 10 47.392 0.010 0.096 69 HD1 PHE 10 HD1 PHE 10 45.852 -0.425 3.470 70 HD2 PHE 10 HD2 PHE 10 47.770 2.196 0.711 71 HE1 PHE 10 HE1 PHE 10 45.896 1.355 5.179 72 HE2 PHE 10 HE2 PHE 10 47.797 3.953 2.394 73 HZ PHE 10 HZ PHE 10 46.881 3.554 4.626 74 H SER 11 H SER 11 43.938 0.936 1.736 75 HA SER 11 HA SER 11 43.122 2.420 -0.613 76 1HB SER 11 2HB SER 11 41.312 1.269 0.697 77 2HB SER 11 1HB SER 11 41.699 2.337 2.049 78 HG SER 11 HG SER 11 41.184 3.471 -0.463 79 H CYS 12 H CYS 12 44.451 4.071 -0.818 80 HA CYS 12 HA CYS 12 45.577 5.643 1.182 81 1HB CYS 12 2HB CYS 12 46.258 5.820 -1.153 82 2HB CYS 12 1HB CYS 12 44.671 6.428 -1.594 83 H ALA 13 H ALA 13 44.921 7.558 2.149 84 HA ALA 13 HA ALA 13 42.848 7.528 3.696 85 1HB ALA 13 1HB ALA 13 43.593 10.097 2.334 86 2HB ALA 13 2HB ALA 13 44.514 9.337 3.635 87 3HB ALA 13 3HB ALA 13 42.873 9.914 3.934 88 H SER 14 H SER 14 40.997 6.645 3.058 89 HA SER 14 HA SER 14 38.887 6.468 2.283 90 1HB SER 14 2HB SER 14 37.526 8.547 2.715 91 2HB SER 14 1HB SER 14 38.483 7.961 4.074 92 HG SER 14 HG SER 14 39.752 9.785 2.431 93 H GLY 15 H GLY 15 39.692 6.071 0.030 94 1HA GLY 15 2HA GLY 15 37.845 6.712 -1.731 95 2HA GLY 15 1HA GLY 15 38.764 8.211 -1.747 96 H ARG 16 H ARG 16 41.342 6.913 -1.432 97 HA ARG 16 HA ARG 16 41.623 6.276 -4.262 98 1HB ARG 16 2HB ARG 16 43.672 7.016 -2.168 99 2HB ARG 16 1HB ARG 16 44.078 6.585 -3.821 100 1HG ARG 16 2HG ARG 16 44.075 8.940 -3.740 101 2HG ARG 16 1HG ARG 16 42.593 8.476 -4.573 102 1HD ARG 16 2HD ARG 16 41.521 8.641 -2.202 103 2HD ARG 16 1HD ARG 16 42.951 9.602 -1.818 104 HE ARG 16 HE ARG 16 42.120 10.843 -4.006 105 1HH1 ARG 16 1HH1 ARG 16 40.326 9.778 -1.198 106 2HH1 ARG 16 2HH1 ARG 16 39.050 10.924 -1.419 107 1HH2 ARG 16 1HH2 ARG 16 40.440 12.364 -4.311 108 2HH2 ARG 16 2HH2 ARG 16 39.091 12.376 -3.211 109 H CYS 17 H CYS 17 43.274 4.559 -4.830 110 HA CYS 17 HA CYS 17 43.094 2.280 -3.008 111 1HB CYS 17 2HB CYS 17 41.224 2.505 -4.924 112 2HB CYS 17 1HB CYS 17 42.498 1.746 -5.873 113 H ILE 18 H ILE 18 45.080 1.487 -2.827 114 HA ILE 18 HA ILE 18 46.911 1.626 -5.130 115 HB ILE 18 HB ILE 18 48.734 2.372 -3.721 116 1HG1 ILE 18 2HG1 ILE 18 47.773 3.153 -1.306 117 2HG1 ILE 18 1HG1 ILE 18 46.866 1.668 -1.555 118 1HG2 ILE 18 1HG2 ILE 18 47.194 4.098 -4.596 119 2HG2 ILE 18 2HG2 ILE 18 48.001 4.576 -3.102 120 3HG2 ILE 18 3HG2 ILE 18 46.321 4.041 -3.061 121 1HD1 ILE 18 1HD1 ILE 18 48.856 1.197 -0.310 122 2HD1 ILE 18 2HD1 ILE 18 49.853 1.979 -1.532 123 3HD1 ILE 18 3HD1 ILE 18 49.002 0.483 -1.917 124 HA PRO 19 HA PRO 19 47.571 -2.642 -3.965 125 1HB PRO 19 2HB PRO 19 50.276 -2.342 -5.147 126 2HB PRO 19 1HB PRO 19 48.969 -3.455 -5.586 127 1HG PRO 19 2HG PRO 19 49.507 -1.428 -7.194 128 2HG PRO 19 1HG PRO 19 47.815 -1.808 -6.805 129 1HD PRO 19 2HD PRO 19 49.600 0.257 -5.512 130 2HD PRO 19 1HD PRO 19 47.990 0.497 -6.237 131 H ILE 20 H ILE 20 48.548 -3.794 -2.328 132 HA ILE 20 HA ILE 20 49.467 -2.457 -0.102 133 HB ILE 20 HB ILE 20 49.671 -5.311 -0.967 134 1HG1 ILE 20 2HG1 ILE 20 47.500 -4.383 -0.259 135 2HG1 ILE 20 1HG1 ILE 20 48.058 -5.657 0.823 136 1HG2 ILE 20 1HG2 ILE 20 50.698 -4.252 1.659 137 2HG2 ILE 20 2HG2 ILE 20 51.674 -4.956 0.370 138 3HG2 ILE 20 3HG2 ILE 20 50.504 -5.952 1.237 139 1HD1 ILE 20 1HD1 ILE 20 48.274 -2.698 1.347 140 2HD1 ILE 20 2HD1 ILE 20 48.776 -3.990 2.440 141 3HD1 ILE 20 3HD1 ILE 20 47.072 -3.785 2.044 142 H SER 21 H SER 21 51.289 -3.434 -2.860 143 HA SER 21 HA SER 21 53.883 -3.524 -1.679 144 1HB SER 21 2HB SER 21 54.535 -3.422 -4.166 145 2HB SER 21 1HB SER 21 53.559 -4.794 -3.638 146 HG SER 21 HG SER 21 52.633 -2.436 -4.921 147 H TRP 22 H TRP 22 52.239 -0.968 -1.438 148 HA TRP 22 HA TRP 22 54.142 0.910 -2.671 149 1HB TRP 22 2HB TRP 22 51.149 1.163 -2.577 150 2HB TRP 22 1HB TRP 22 52.220 2.479 -3.032 151 HD1 TRP 22 HD1 TRP 22 52.369 -1.191 -4.203 152 HE1 TRP 22 HE1 TRP 22 52.190 -1.222 -6.739 153 HE3 TRP 22 HE3 TRP 22 51.603 3.793 -5.006 154 HZ2 TRP 22 HZ2 TRP 22 51.779 0.623 -8.854 155 HZ3 TRP 22 HZ3 TRP 22 51.327 4.581 -7.324 156 HH2 TRP 22 HH2 TRP 22 51.410 3.025 -9.206 157 H THR 23 H THR 23 52.007 0.328 0.015 158 HA THR 23 HA THR 23 52.451 3.005 1.003 159 HB THR 23 HB THR 23 50.164 2.254 1.042 160 HG1 THR 23 HG1 THR 23 51.088 3.560 2.819 161 1HG2 THR 23 1HG2 THR 23 49.419 0.422 2.482 162 2HG2 THR 23 2HG2 THR 23 51.095 0.065 2.900 163 3HG2 THR 23 3HG2 THR 23 50.534 -0.152 1.242 164 H CYS 24 H CYS 24 53.119 -0.275 2.014 165 HA CYS 24 HA CYS 24 54.259 0.671 4.489 166 1HB CYS 24 2HB CYS 24 53.876 -2.161 3.530 167 2HB CYS 24 1HB CYS 24 54.389 -1.672 5.142 168 H ASP 25 H ASP 25 55.808 1.647 2.604 169 HA ASP 25 HA ASP 25 58.275 0.182 3.057 170 1HB ASP 25 2HB ASP 25 58.985 0.448 0.672 171 2HB ASP 25 1HB ASP 25 57.705 -0.726 0.933 172 H LEU 26 H LEU 26 56.842 2.736 3.734 173 HA LEU 26 HA LEU 26 57.590 4.634 4.659 174 1HB LEU 26 2HB LEU 26 60.221 3.911 3.401 175 2HB LEU 26 1HB LEU 26 59.975 5.402 4.288 176 HG LEU 26 HG LEU 26 59.642 2.625 5.422 177 1HD1 LEU 26 1HD1 LEU 26 61.661 3.148 6.718 178 2HD1 LEU 26 2HD1 LEU 26 61.821 4.671 5.842 179 3HD1 LEU 26 3HD1 LEU 26 61.982 3.140 4.986 180 1HD2 LEU 26 1HD2 LEU 26 58.151 4.207 6.485 181 2HD2 LEU 26 2HD2 LEU 26 59.488 5.327 6.744 182 3HD2 LEU 26 3HD2 LEU 26 59.469 3.776 7.578 183 H ASP 27 H ASP 27 55.962 5.399 3.265 184 HA ASP 27 HA ASP 27 55.213 7.308 2.274 185 1HB ASP 27 2HB ASP 27 57.107 8.549 3.050 186 2HB ASP 27 1HB ASP 27 58.150 7.835 1.829 187 H ASP 28 H ASP 28 54.175 7.441 0.424 188 HA ASP 28 HA ASP 28 55.404 7.782 -2.030 189 1HB ASP 28 2HB ASP 28 55.843 5.337 -1.995 190 2HB ASP 28 1HB ASP 28 54.106 5.052 -1.892 191 H ASP 29 H ASP 29 52.447 6.155 -0.849 192 HA ASP 29 HA ASP 29 50.905 7.823 -2.661 193 1HB ASP 29 2HB ASP 29 48.968 6.378 -1.961 194 2HB ASP 29 1HB ASP 29 50.276 5.540 -2.780 195 H CYS 30 H CYS 30 50.001 6.795 0.574 196 HA CYS 30 HA CYS 30 50.254 9.322 1.775 197 1HB CYS 30 2HB CYS 30 48.016 10.045 2.057 198 2HB CYS 30 1HB CYS 30 48.214 9.772 0.319 199 H GLY 31 H GLY 31 48.874 6.127 1.630 200 1HA GLY 31 2HA GLY 31 48.223 4.633 3.217 201 2HA GLY 31 1HA GLY 31 49.403 5.409 4.262 202 H ASP 32 H ASP 32 48.802 6.902 5.647 203 HA ASP 32 HA ASP 32 45.927 7.343 6.093 204 1HB ASP 32 2HB ASP 32 46.702 6.316 8.057 205 2HB ASP 32 1HB ASP 32 48.279 7.087 7.954 206 H ARG 33 H ARG 33 49.008 8.903 6.845 207 HA ARG 33 HA ARG 33 48.251 11.228 5.222 208 1HB ARG 33 2HB ARG 33 49.452 11.394 7.990 209 2HB ARG 33 1HB ARG 33 49.092 12.753 6.933 210 1HG ARG 33 2HG ARG 33 46.785 12.480 7.187 211 2HG ARG 33 1HG ARG 33 46.968 10.847 7.833 212 1HD ARG 33 2HD ARG 33 47.942 11.706 9.863 213 2HD ARG 33 1HD ARG 33 47.943 13.345 9.213 214 HE ARG 33 HE ARG 33 45.628 13.457 9.555 215 1HH1 ARG 33 1HH1 ARG 33 46.816 10.263 10.355 216 2HH1 ARG 33 2HH1 ARG 33 45.490 9.912 11.419 217 1HH2 ARG 33 1HH2 ARG 33 43.883 12.968 10.987 218 2HH2 ARG 33 2HH2 ARG 33 43.853 11.432 11.790 219 H SER 34 H SER 34 50.639 9.188 6.673 220 HA SER 34 HA SER 34 52.602 9.990 4.666 221 1HB SER 34 2HB SER 34 53.259 9.629 7.605 222 2HB SER 34 1HB SER 34 54.395 10.046 6.322 223 HG SER 34 HG SER 34 52.650 11.862 6.071 224 H ASP 35 H ASP 35 50.696 7.831 5.219 225 HA ASP 35 HA ASP 35 50.465 5.661 4.714 226 1HB ASP 35 2HB ASP 35 53.393 5.312 4.182 227 2HB ASP 35 1HB ASP 35 52.017 4.460 3.473 228 H GLU 36 H GLU 36 53.045 6.409 6.878 229 HA GLU 36 HA GLU 36 52.986 3.670 7.930 230 1HB GLU 36 2HB GLU 36 55.027 5.822 8.505 231 2HB GLU 36 1HB GLU 36 55.167 4.101 8.837 232 1HG GLU 36 2HG GLU 36 55.011 5.321 6.091 233 2HG GLU 36 1HG GLU 36 56.499 4.845 6.905 234 H SER 37 H SER 37 50.864 4.430 8.935 235 HA SER 37 HA SER 37 51.468 5.093 11.681 236 1HB SER 37 2HB SER 37 49.463 6.752 10.130 237 2HB SER 37 1HB SER 37 49.830 6.906 11.849 238 HG SER 37 HG SER 37 52.134 7.069 10.597 239 H ALA 38 H ALA 38 50.732 3.261 12.498 240 HA ALA 38 HA ALA 38 49.313 1.696 13.284 241 1HB ALA 38 1HB ALA 38 47.143 3.640 12.506 242 2HB ALA 38 2HB ALA 38 48.027 3.646 14.032 243 3HB ALA 38 3HB ALA 38 46.980 2.285 13.625 244 H SER 39 H SER 39 49.776 2.157 10.237 245 HA SER 39 HA SER 39 47.833 0.167 9.325 246 1HB SER 39 2HB SER 39 48.825 0.919 7.034 247 2HB SER 39 1HB SER 39 47.731 2.021 7.874 248 HG SER 39 HG SER 39 49.942 2.782 7.034 249 H CYS 40 H CYS 40 51.173 1.056 8.526 250 HA CYS 40 HA CYS 40 51.888 -1.751 8.327 251 1HB CYS 40 2HB CYS 40 53.653 0.635 7.803 252 2HB CYS 40 1HB CYS 40 53.759 -0.984 7.110 253 H ALA 41 H ALA 41 53.476 1.130 9.709 254 HA ALA 41 HA ALA 41 54.428 1.560 11.727 255 1HB ALA 41 1HB ALA 41 53.264 0.718 13.691 256 2HB ALA 41 2HB ALA 41 52.433 -0.480 12.700 257 3HB ALA 41 3HB ALA 41 52.116 1.240 12.456 258 H TYR 42 H TYR 42 55.668 -0.536 10.133 259 HA TYR 42 HA TYR 42 56.485 -2.659 11.845 260 1HB TYR 42 2HB TYR 42 58.281 -2.930 9.993 261 2HB TYR 42 1HB TYR 42 56.592 -3.201 9.580 262 HD1 TYR 42 HD1 TYR 42 55.424 -1.720 8.083 263 HD2 TYR 42 HD2 TYR 42 59.447 -0.920 9.205 264 HE1 TYR 42 HE1 TYR 42 55.597 -0.068 6.275 265 HE2 TYR 42 HE2 TYR 42 59.627 0.738 7.407 266 HH TYR 42 HH TYR 42 56.902 1.847 5.630 267 HA PRO 43 HA PRO 43 59.572 -0.157 13.907 268 1HB PRO 43 2HB PRO 43 59.941 -1.761 16.011 269 2HB PRO 43 1HB PRO 43 58.445 -0.841 15.812 270 1HG PRO 43 2HG PRO 43 58.975 -3.735 15.291 271 2HG PRO 43 1HG PRO 43 57.537 -2.962 15.984 272 1HD PRO 43 2HD PRO 43 57.816 -3.774 13.334 273 2HD PRO 43 1HD PRO 43 56.617 -2.612 13.931 274 H THR 44 H THR 44 60.027 -2.750 12.027 275 HA THR 44 HA THR 44 62.901 -2.862 12.559 276 HB THR 44 HB THR 44 61.954 -4.757 13.782 277 HG1 THR 44 HG1 THR 44 63.425 -5.339 11.428 278 1HG2 THR 44 1HG2 THR 44 59.898 -5.075 12.492 279 2HG2 THR 44 2HG2 THR 44 60.807 -6.583 12.597 280 3HG2 THR 44 3HG2 THR 44 60.841 -5.635 11.111 281 H CYS 45 H CYS 45 60.860 -1.905 10.457 282 HA CYS 45 HA CYS 45 60.594 -1.789 8.208 283 1HB CYS 45 2HB CYS 45 63.175 -1.790 8.303 284 2HB CYS 45 1HB CYS 45 63.062 -3.477 7.818 285 H PHE 46 H PHE 46 59.600 -3.035 6.539 286 HA PHE 46 HA PHE 46 58.949 -5.731 7.523 287 1HB PHE 46 2HB PHE 46 57.131 -3.970 7.637 288 2HB PHE 46 1HB PHE 46 57.139 -3.971 5.872 289 HD1 PHE 46 HD1 PHE 46 56.237 -5.797 4.634 290 HD2 PHE 46 HD2 PHE 46 56.376 -5.930 8.876 291 HE1 PHE 46 HE1 PHE 46 54.746 -7.741 4.596 292 HE2 PHE 46 HE2 PHE 46 54.884 -7.884 8.871 293 HZ PHE 46 HZ PHE 46 54.058 -8.800 6.726 294 HA PRO 47 HA PRO 47 60.455 -7.214 3.611 295 1HB PRO 47 2HB PRO 47 59.015 -9.691 4.202 296 2HB PRO 47 1HB PRO 47 60.753 -9.405 4.093 297 1HG PRO 47 2HG PRO 47 59.514 -9.924 6.433 298 2HG PRO 47 1HG PRO 47 60.936 -8.869 6.325 299 1HD PRO 47 2HD PRO 47 58.038 -8.132 6.537 300 2HD PRO 47 1HD PRO 47 59.444 -7.419 7.360 301 H LEU 48 H LEU 48 57.921 -5.702 3.526 302 HA LEU 48 HA LEU 48 56.265 -7.241 1.707 303 1HB LEU 48 2HB LEU 48 56.113 -4.483 2.833 304 2HB LEU 48 1HB LEU 48 55.370 -4.735 1.262 305 HG LEU 48 HG LEU 48 54.673 -6.172 3.823 306 1HD1 LEU 48 1HD1 LEU 48 53.866 -3.887 3.754 307 2HD1 LEU 48 2HD1 LEU 48 52.528 -5.022 3.575 308 3HD1 LEU 48 3HD1 LEU 48 53.156 -4.169 2.165 309 1HD2 LEU 48 1HD2 LEU 48 54.473 -7.688 1.948 310 2HD2 LEU 48 2HD2 LEU 48 53.559 -6.484 1.042 311 3HD2 LEU 48 3HD2 LEU 48 52.868 -7.199 2.498 312 H THR 49 H THR 49 57.604 -4.015 1.247 313 HA THR 49 HA THR 49 58.633 -4.801 -1.355 314 HB THR 49 HB THR 49 57.251 -3.024 -2.456 315 HG1 THR 49 HG1 THR 49 56.351 -1.727 -0.976 316 1HG2 THR 49 1HG2 THR 49 55.186 -4.382 -2.489 317 2HG2 THR 49 2HG2 THR 49 55.766 -5.275 -1.077 318 3HG2 THR 49 3HG2 THR 49 56.633 -5.381 -2.612 319 H GLN 50 H GLN 50 60.034 -3.943 0.894 320 HA GLN 50 HA GLN 50 60.972 -1.329 -0.041 321 1HB GLN 50 2HB GLN 50 61.493 -0.805 2.409 322 2HB GLN 50 1HB GLN 50 59.813 -0.709 1.901 323 1HG GLN 50 2HG GLN 50 59.558 -3.040 2.814 324 2HG GLN 50 1HG GLN 50 61.147 -2.813 3.549 325 1HE2 GLN 50 1HE2 GLN 50 60.562 0.106 3.831 326 2HE2 GLN 50 2HE2 GLN 50 59.508 0.230 5.195 327 H PHE 51 H PHE 51 63.123 -0.912 0.150 328 HA PHE 51 HA PHE 51 64.858 -3.242 0.640 329 1HB PHE 51 2HB PHE 51 65.038 -2.419 -1.641 330 2HB PHE 51 1HB PHE 51 65.211 -0.763 -1.079 331 HD1 PHE 51 HD1 PHE 51 66.909 -4.083 -0.901 332 HD2 PHE 51 HD2 PHE 51 67.327 0.158 -0.893 333 HE1 PHE 51 HE1 PHE 51 69.354 -4.317 -0.997 334 HE2 PHE 51 HE2 PHE 51 69.765 -0.078 -0.974 335 HZ PHE 51 HZ PHE 51 70.784 -2.310 -1.038 336 H THR 52 H THR 52 66.763 -2.852 1.946 337 HA THR 52 HA THR 52 66.255 -0.626 3.787 338 HB THR 52 HB THR 52 67.906 -3.099 4.301 339 HG1 THR 52 HG1 THR 52 65.245 -2.623 5.187 340 1HG2 THR 52 1HG2 THR 52 66.683 -1.075 6.175 341 2HG2 THR 52 2HG2 THR 52 68.389 -1.194 5.760 342 3HG2 THR 52 3HG2 THR 52 67.611 -2.499 6.653 343 H CYS 53 H CYS 53 67.403 1.076 3.024 344 HA CYS 53 HA CYS 53 69.986 1.019 1.985 345 1HB CYS 53 2HB CYS 53 68.469 3.007 2.092 346 2HB CYS 53 1HB CYS 53 68.919 3.174 3.785 347 H ASN 54 H ASN 54 72.038 0.880 2.810 348 HA ASN 54 HA ASN 54 72.345 -0.410 5.292 349 1HB ASN 54 2HB ASN 54 74.650 -0.502 4.871 350 2HB ASN 54 1HB ASN 54 73.910 -0.541 3.281 351 1HD2 ASN 54 1HD2 ASN 54 73.380 2.273 3.062 352 2HD2 ASN 54 2HD2 ASN 54 74.902 3.069 2.905 353 H ASN 55 H ASN 55 71.885 2.833 4.629 354 HA ASN 55 HA ASN 55 73.266 4.083 6.724 355 1HB ASN 55 2HB ASN 55 72.115 5.226 4.805 356 2HB ASN 55 1HB ASN 55 70.575 4.835 5.559 357 1HD2 ASN 55 1HD2 ASN 55 73.329 6.872 5.549 358 2HD2 ASN 55 2HD2 ASN 55 72.795 7.960 6.793 359 H GLY 56 H GLY 56 70.351 2.211 6.527 360 1HA GLY 56 2HA GLY 56 69.753 1.063 8.655 361 2HA GLY 56 1HA GLY 56 69.845 2.656 9.401 362 H ARG 57 H ARG 57 68.733 3.431 6.553 363 HA ARG 57 HA ARG 57 65.977 3.458 7.506 364 1HB ARG 57 2HB ARG 57 66.018 5.585 6.821 365 2HB ARG 57 1HB ARG 57 67.684 5.381 6.306 366 1HG ARG 57 2HG ARG 57 65.879 4.309 4.342 367 2HG ARG 57 1HG ARG 57 65.484 5.989 4.720 368 1HD ARG 57 2HD ARG 57 68.109 4.870 3.758 369 2HD ARG 57 1HD ARG 57 67.045 6.001 2.924 370 HE ARG 57 HE ARG 57 67.744 7.239 5.281 371 1HH1 ARG 57 1HH1 ARG 57 69.381 6.041 2.441 372 2HH1 ARG 57 2HH1 ARG 57 70.772 7.066 2.644 373 1HH2 ARG 57 1HH2 ARG 57 69.581 8.637 5.515 374 2HH2 ARG 57 2HH2 ARG 57 70.871 8.531 4.359 375 H CYS 58 H CYS 58 64.269 2.834 6.021 376 HA CYS 58 HA CYS 58 65.256 1.050 3.910 377 1HB CYS 58 2HB CYS 58 62.591 1.160 5.335 378 2HB CYS 58 1HB CYS 58 62.903 0.129 3.942 379 H ILE 59 H ILE 59 64.341 1.106 1.862 380 HA ILE 59 HA ILE 59 62.892 3.558 1.233 381 HB ILE 59 HB ILE 59 64.047 3.654 -0.934 382 1HG1 ILE 59 2HG1 ILE 59 65.938 1.589 0.179 383 2HG1 ILE 59 1HG1 ILE 59 64.598 1.169 -0.883 384 1HG2 ILE 59 1HG2 ILE 59 66.200 4.467 -0.108 385 2HG2 ILE 59 2HG2 ILE 59 65.906 3.679 1.443 386 3HG2 ILE 59 3HG2 ILE 59 64.871 5.008 0.916 387 1HD1 ILE 59 1HD1 ILE 59 65.522 2.575 -2.625 388 2HD1 ILE 59 2HD1 ILE 59 66.694 1.366 -2.097 389 3HD1 ILE 59 3HD1 ILE 59 66.853 3.039 -1.562 390 H ASN 60 H ASN 60 61.903 3.265 -1.135 391 HA ASN 60 HA ASN 60 60.228 0.986 -1.129 392 1HB ASN 60 2HB ASN 60 59.584 3.100 -2.205 393 2HB ASN 60 1HB ASN 60 60.872 2.901 -3.386 394 1HD2 ASN 60 1HD2 ASN 60 57.746 1.809 -2.320 395 2HD2 ASN 60 2HD2 ASN 60 57.354 0.928 -3.767 396 H ILE 61 H ILE 61 60.379 -0.958 -2.176 397 HA ILE 61 HA ILE 61 62.991 -1.936 -2.665 398 HB ILE 61 HB ILE 61 60.580 -3.049 -2.023 399 1HG1 ILE 61 2HG1 ILE 61 62.764 -3.909 -1.368 400 2HG1 ILE 61 1HG1 ILE 61 61.747 -5.195 -2.003 401 1HG2 ILE 61 1HG2 ILE 61 61.215 -3.969 -4.822 402 2HG2 ILE 61 2HG2 ILE 61 59.774 -3.100 -4.297 403 3HG2 ILE 61 3HG2 ILE 61 60.067 -4.746 -3.730 404 1HD1 ILE 61 1HD1 ILE 61 62.963 -5.082 -4.126 405 2HD1 ILE 61 2HD1 ILE 61 64.017 -5.448 -2.760 406 3HD1 ILE 61 3HD1 ILE 61 64.002 -3.825 -3.450 407 H ASN 62 H ASN 62 61.030 -0.176 -4.738 408 HA ASN 62 HA ASN 62 61.961 -1.655 -7.104 409 1HB ASN 62 2HB ASN 62 59.425 -0.990 -6.523 410 2HB ASN 62 1HB ASN 62 59.906 0.460 -7.402 411 1HD2 ASN 62 1HD2 ASN 62 60.628 0.247 -9.558 412 2HD2 ASN 62 2HD2 ASN 62 60.151 -1.112 -10.510 413 H TRP 63 H TRP 63 63.607 0.240 -5.612 414 HA TRP 63 HA TRP 63 63.994 2.326 -7.659 415 1HB TRP 63 2HB TRP 63 64.910 2.188 -4.779 416 2HB TRP 63 1HB TRP 63 65.399 3.451 -5.905 417 HD1 TRP 63 HD1 TRP 63 61.952 2.858 -6.797 418 HE1 TRP 63 HE1 TRP 63 60.348 4.487 -5.614 419 HE3 TRP 63 HE3 TRP 63 65.109 4.621 -3.216 420 HZ2 TRP 63 HZ2 TRP 63 60.422 6.294 -3.443 421 HZ3 TRP 63 HZ3 TRP 63 64.278 6.300 -1.615 422 HH2 TRP 63 HH2 TRP 63 61.981 7.119 -1.729 423 H ARG 64 H ARG 64 64.641 -0.357 -7.987 424 HA ARG 64 HA ARG 64 67.461 -0.775 -7.612 425 1HB ARG 64 2HB ARG 64 65.582 -2.512 -7.544 426 2HB ARG 64 1HB ARG 64 65.575 -2.409 -9.296 427 1HG ARG 64 2HG ARG 64 67.032 -4.091 -9.172 428 2HG ARG 64 1HG ARG 64 68.210 -2.831 -8.790 429 1HD ARG 64 2HD ARG 64 68.324 -4.665 -7.181 430 2HD ARG 64 1HD ARG 64 67.806 -3.164 -6.412 431 HE ARG 64 HE ARG 64 65.453 -4.208 -6.860 432 1HH1 ARG 64 1HH1 ARG 64 68.363 -5.817 -5.758 433 2HH1 ARG 64 2HH1 ARG 64 67.504 -7.084 -4.935 434 1HH2 ARG 64 1HH2 ARG 64 64.307 -5.859 -5.772 435 2HH2 ARG 64 2HH2 ARG 64 65.180 -7.106 -4.943 436 H CYS 65 H CYS 65 68.799 0.426 -8.940 437 HA CYS 65 HA CYS 65 68.203 0.700 -11.743 438 1HB CYS 65 2HB CYS 65 69.564 2.432 -10.674 439 2HB CYS 65 1HB CYS 65 70.765 1.231 -10.216 440 H ASP 66 H ASP 66 69.816 -1.496 -9.677 441 HA ASP 66 HA ASP 66 70.535 -3.230 -11.891 442 1HB ASP 66 2HB ASP 66 72.893 -3.412 -11.061 443 2HB ASP 66 1HB ASP 66 72.492 -1.848 -11.758 444 H ASN 67 H ASN 67 71.928 -3.292 -8.667 445 HA ASN 67 HA ASN 67 70.565 -5.823 -8.174 446 1HB ASN 67 2HB ASN 67 72.989 -6.090 -8.489 447 2HB ASN 67 1HB ASN 67 73.287 -4.909 -7.220 448 1HD2 ASN 67 1HD2 ASN 67 73.029 -5.489 -5.069 449 2HD2 ASN 67 2HD2 ASN 67 72.849 -7.146 -4.588 450 H ASP 68 H ASP 68 71.557 -2.745 -6.902 451 HA ASP 68 HA ASP 68 69.954 -3.251 -4.487 452 1HB ASP 68 2HB ASP 68 72.419 -1.552 -4.866 453 2HB ASP 68 1HB ASP 68 71.364 -1.391 -3.464 454 H ASN 69 H ASN 69 69.452 -0.782 -3.559 455 HA ASN 69 HA ASN 69 67.875 0.324 -5.784 456 1HB ASN 69 2HB ASN 69 66.904 -0.264 -2.979 457 2HB ASN 69 1HB ASN 69 65.971 0.566 -4.221 458 1HD2 ASN 69 1HD2 ASN 69 67.365 -2.483 -3.244 459 2HD2 ASN 69 2HD2 ASN 69 66.416 -3.465 -4.301 460 H ASP 70 H ASP 70 67.821 2.437 -5.971 461 HA ASP 70 HA ASP 70 69.638 4.169 -4.942 462 1HB ASP 70 2HB ASP 70 66.841 4.760 -5.925 463 2HB ASP 70 1HB ASP 70 68.045 6.003 -5.631 464 H CYS 71 H CYS 71 69.922 4.116 -2.718 465 HA CYS 71 HA CYS 71 67.751 5.378 -1.173 466 1HB CYS 71 2HB CYS 71 68.466 4.261 0.766 467 2HB CYS 71 1HB CYS 71 68.559 3.042 -0.498 468 H GLY 72 H GLY 72 70.999 5.649 -2.300 469 1HA GLY 72 2HA GLY 72 71.925 7.835 -2.556 470 2HA GLY 72 1HA GLY 72 71.050 8.339 -1.118 471 H ASP 73 H ASP 73 72.306 5.461 -0.230 472 HA ASP 73 HA ASP 73 74.667 6.798 0.899 473 1HB ASP 73 2HB ASP 73 72.798 4.751 1.995 474 2HB ASP 73 1HB ASP 73 74.469 4.745 2.548 475 H ASN 74 H ASN 74 74.615 5.548 -1.699 476 HA ASN 74 HA ASN 74 76.252 4.657 -2.976 477 1HB ASN 74 2HB ASN 74 77.722 4.486 -0.349 478 2HB ASN 74 1HB ASN 74 78.444 4.092 -1.906 479 1HD2 ASN 74 1HD2 ASN 74 79.102 6.187 0.043 480 2HD2 ASN 74 2HD2 ASN 74 79.025 7.673 -0.832 481 H SER 75 H SER 75 74.298 2.858 -1.307 482 HA SER 75 HA SER 75 75.688 0.322 -1.499 483 1HB SER 75 2HB SER 75 72.728 0.737 -1.105 484 2HB SER 75 1HB SER 75 73.697 -0.657 -0.629 485 HG SER 75 HG SER 75 74.818 1.321 0.587 486 H ASP 76 H ASP 76 72.884 1.792 -2.907 487 HA ASP 76 HA ASP 76 72.305 0.040 -4.967 488 1HB ASP 76 2HB ASP 76 71.427 2.362 -5.963 489 2HB ASP 76 1HB ASP 76 70.623 1.526 -4.629 490 H GLU 77 H GLU 77 73.964 3.170 -5.233 491 HA GLU 77 HA GLU 77 74.568 2.777 -7.994 492 1HB GLU 77 2HB GLU 77 75.408 4.939 -6.063 493 2HB GLU 77 1HB GLU 77 75.698 4.981 -7.799 494 1HG GLU 77 2HG GLU 77 73.023 4.952 -6.419 495 2HG GLU 77 1HG GLU 77 73.771 6.313 -7.256 496 H ALA 78 H ALA 78 75.812 1.073 -5.790 497 HA ALA 78 HA ALA 78 78.618 1.302 -6.083 498 1HB ALA 78 1HB ALA 78 77.595 -0.143 -4.392 499 2HB ALA 78 2HB ALA 78 78.704 -1.051 -5.419 500 3HB ALA 78 3HB ALA 78 76.963 -1.191 -5.664 501 H GLY 79 H GLY 79 76.104 0.264 -8.205 502 1HA GLY 79 2HA GLY 79 78.129 -0.195 -10.287 503 2HA GLY 79 1HA GLY 79 76.846 -1.376 -10.064 504 H CYS 80 H CYS 80 74.617 -0.548 -10.209 505 HA CYS 80 HA CYS 80 72.973 0.264 -11.527 506 1HB CYS 80 2HB CYS 80 73.309 2.228 -10.122 507 2HB CYS 80 1HB CYS 80 74.543 2.827 -11.220 508 H SER 81 H SER 81 74.989 2.673 -13.049 509 HA SER 81 HA SER 81 75.762 1.200 -15.318 510 1HB SER 81 2HB SER 81 74.099 2.182 -16.936 511 2HB SER 81 1HB SER 81 73.417 0.989 -15.828 512 HG SER 81 HG SER 81 72.672 2.761 -14.537 513 H HIS 82 HN HIS 82 75.842 3.012 -17.290 514 HA HIS 82 HA HIS 82 76.808 5.512 -16.122 515 1HB HIS 82 2HB HIS 82 78.754 5.455 -17.737 516 2HB HIS 82 1HB HIS 82 78.846 4.309 -16.408 517 HD1 HIS 82 HD1 HIS 82 78.294 4.446 -20.144 518 HD2 HIS 82 HD2 HIS 82 78.927 1.655 -17.130 519 HE1 HIS 82 HE1 HIS 82 78.788 2.258 -21.300 Start of MODEL 15 1 1H SER 1 1HT SER 1 38.936 -5.708 -1.970 2 2H SER 1 2HT SER 1 37.777 -5.394 -0.780 3 3H SER 1 3HT SER 1 38.180 -4.197 -1.907 4 HA SER 1 HA SER 1 37.277 -5.503 -3.691 5 1HB SER 1 2HB SER 1 35.902 -7.544 -2.979 6 2HB SER 1 1HB SER 1 37.655 -7.728 -2.969 7 HG SER 1 HG SER 1 36.053 -8.219 -0.986 8 H ALA 2 H ALA 2 35.325 -6.116 -0.773 9 HA ALA 2 HA ALA 2 33.194 -4.468 -1.806 10 1HB ALA 2 1HB ALA 2 32.686 -6.520 -0.575 11 2HB ALA 2 2HB ALA 2 31.995 -5.111 0.225 12 3HB ALA 2 3HB ALA 2 33.458 -5.855 0.865 13 H ARG 3 H ARG 3 33.730 -2.367 -1.848 14 HA ARG 3 HA ARG 3 34.089 -0.242 -1.156 15 1HB ARG 3 2HB ARG 3 32.629 -0.668 0.749 16 2HB ARG 3 1HB ARG 3 33.968 -1.369 1.645 17 1HG ARG 3 2HG ARG 3 35.125 0.800 1.587 18 2HG ARG 3 1HG ARG 3 33.743 1.491 0.738 19 1HD ARG 3 2HD ARG 3 32.310 1.002 2.643 20 2HD ARG 3 1HD ARG 3 33.668 0.252 3.483 21 HE ARG 3 HE ARG 3 34.547 2.767 2.917 22 1HH1 ARG 3 1HH1 ARG 3 31.762 1.474 4.577 23 2HH1 ARG 3 2HH1 ARG 3 31.613 2.818 5.660 24 1HH2 ARG 3 1HH2 ARG 3 34.377 4.559 4.352 25 2HH2 ARG 3 2HH2 ARG 3 33.103 4.576 5.534 26 H THR 4 H THR 4 35.992 -2.672 0.529 27 HA THR 4 HA THR 4 38.292 -1.050 0.887 28 HB THR 4 HB THR 4 39.437 -3.329 1.145 29 HG1 THR 4 HG1 THR 4 37.184 -4.691 1.620 30 1HG2 THR 4 1HG2 THR 4 37.055 -2.724 2.908 31 2HG2 THR 4 2HG2 THR 4 38.645 -1.979 3.048 32 3HG2 THR 4 3HG2 THR 4 38.452 -3.707 3.348 33 H CYS 5 H CYS 5 40.307 -1.261 -0.205 34 HA CYS 5 HA CYS 5 40.083 -1.174 -3.021 35 1HB CYS 5 2HB CYS 5 42.362 -1.030 -1.079 36 2HB CYS 5 1HB CYS 5 42.640 -1.059 -2.813 37 HA PRO 6 HA PRO 6 41.016 -5.243 -4.562 38 1HB PRO 6 2HB PRO 6 43.514 -4.178 -5.798 39 2HB PRO 6 1HB PRO 6 42.177 -5.059 -6.547 40 1HG PRO 6 2HG PRO 6 42.423 -2.455 -6.939 41 2HG PRO 6 1HG PRO 6 40.820 -3.161 -6.645 42 1HD PRO 6 2HD PRO 6 42.615 -1.665 -4.771 43 2HD PRO 6 1HD PRO 6 40.854 -1.539 -4.980 44 HA PRO 7 HA PRO 7 43.859 -7.349 -1.967 45 1HB PRO 7 2HB PRO 7 44.704 -9.452 -3.451 46 2HB PRO 7 1HB PRO 7 43.054 -9.314 -2.830 47 1HG PRO 7 2HG PRO 7 44.115 -8.681 -5.559 48 2HG PRO 7 1HG PRO 7 42.633 -9.545 -5.112 49 1HD PRO 7 2HD PRO 7 42.632 -6.946 -5.859 50 2HD PRO 7 1HD PRO 7 41.482 -7.597 -4.675 51 H ASN 8 H ASN 8 45.097 -5.441 -4.202 52 HA ASN 8 HA ASN 8 47.848 -5.994 -3.343 53 1HB ASN 8 2HB ASN 8 47.519 -6.746 -5.733 54 2HB ASN 8 1HB ASN 8 47.121 -5.080 -6.142 55 1HD2 ASN 8 1HD2 ASN 8 48.831 -4.740 -7.492 56 2HD2 ASN 8 2HD2 ASN 8 50.473 -4.700 -6.965 57 H GLN 9 H GLN 9 45.477 -4.164 -2.750 58 HA GLN 9 HA GLN 9 46.810 -1.586 -3.073 59 1HB GLN 9 2HB GLN 9 44.705 -2.453 -4.713 60 2HB GLN 9 1HB GLN 9 43.968 -1.381 -3.550 61 1HG GLN 9 2HG GLN 9 44.480 0.099 -5.195 62 2HG GLN 9 1HG GLN 9 45.937 0.204 -4.210 63 1HE2 GLN 9 1HE2 GLN 9 46.919 -2.397 -5.083 64 2HE2 GLN 9 2HE2 GLN 9 47.477 -2.177 -6.696 65 H PHE 10 H PHE 10 46.327 -0.168 -1.449 66 HA PHE 10 HA PHE 10 44.815 -1.268 0.813 67 1HB PHE 10 2HB PHE 10 47.104 -0.947 1.415 68 2HB PHE 10 1HB PHE 10 47.155 0.642 0.665 69 HD1 PHE 10 HD1 PHE 10 45.128 -1.099 3.295 70 HD2 PHE 10 HD2 PHE 10 47.238 2.424 2.146 71 HE1 PHE 10 HE1 PHE 10 44.601 -0.059 5.468 72 HE2 PHE 10 HE2 PHE 10 46.694 3.456 4.288 73 HZ PHE 10 HZ PHE 10 45.387 2.237 5.964 74 H SER 11 H SER 11 43.237 -0.095 1.708 75 HA SER 11 HA SER 11 42.374 2.255 0.253 76 1HB SER 11 2HB SER 11 40.121 1.671 1.344 77 2HB SER 11 1HB SER 11 40.697 0.601 0.065 78 HG SER 11 HG SER 11 40.938 0.176 2.866 79 H CYS 12 H CYS 12 43.365 3.792 1.239 80 HA CYS 12 HA CYS 12 43.642 4.139 4.032 81 1HB CYS 12 2HB CYS 12 45.153 5.184 2.422 82 2HB CYS 12 1HB CYS 12 43.817 6.066 1.701 83 H ALA 13 H ALA 13 42.763 6.545 4.755 84 HA ALA 13 HA ALA 13 40.177 6.712 5.369 85 1HB ALA 13 1HB ALA 13 41.740 8.502 5.871 86 2HB ALA 13 2HB ALA 13 40.292 9.167 5.113 87 3HB ALA 13 3HB ALA 13 41.773 8.978 4.169 88 H SER 14 H SER 14 38.219 6.867 4.439 89 HA SER 14 HA SER 14 37.838 5.636 2.055 90 1HB SER 14 2HB SER 14 35.962 7.547 3.457 91 2HB SER 14 1HB SER 14 35.484 6.467 2.146 92 HG SER 14 HG SER 14 36.832 5.093 4.024 93 H GLY 15 H GLY 15 38.985 6.338 0.401 94 1HA GLY 15 2HA GLY 15 38.009 7.952 -1.526 95 2HA GLY 15 1HA GLY 15 38.898 9.071 -0.499 96 H ARG 16 H ARG 16 40.950 7.144 0.255 97 HA ARG 16 HA ARG 16 42.509 7.325 -2.199 98 1HB ARG 16 2HB ARG 16 43.306 6.768 0.651 99 2HB ARG 16 1HB ARG 16 44.429 6.657 -0.694 100 1HG ARG 16 2HG ARG 16 43.835 9.061 -1.210 101 2HG ARG 16 1HG ARG 16 43.032 9.093 0.362 102 1HD ARG 16 2HD ARG 16 45.333 9.948 0.492 103 2HD ARG 16 1HD ARG 16 45.110 8.491 1.461 104 HE ARG 16 HE ARG 16 46.015 7.518 -0.891 105 1HH1 ARG 16 1HH1 ARG 16 47.281 10.006 1.253 106 2HH1 ARG 16 2HH1 ARG 16 48.937 9.728 0.783 107 1HH2 ARG 16 1HH2 ARG 16 48.198 7.171 -1.473 108 2HH2 ARG 16 2HH2 ARG 16 49.460 8.111 -0.729 109 H CYS 17 H CYS 17 43.665 5.610 -3.059 110 HA CYS 17 HA CYS 17 43.167 2.903 -2.131 111 1HB CYS 17 2HB CYS 17 41.299 3.718 -3.769 112 2HB CYS 17 1HB CYS 17 42.541 3.510 -5.003 113 H ILE 18 H ILE 18 45.309 2.453 -1.923 114 HA ILE 18 HA ILE 18 47.133 3.408 -4.054 115 HB ILE 18 HB ILE 18 48.717 4.004 -2.410 116 1HG1 ILE 18 2HG1 ILE 18 47.037 2.494 -0.398 117 2HG1 ILE 18 1HG1 ILE 18 48.542 1.902 -1.099 118 1HG2 ILE 18 1HG2 ILE 18 47.526 5.475 -0.883 119 2HG2 ILE 18 2HG2 ILE 18 46.029 4.577 -1.147 120 3HG2 ILE 18 3HG2 ILE 18 46.748 5.505 -2.468 121 1HD1 ILE 18 1HD1 ILE 18 49.709 3.818 -0.090 122 2HD1 ILE 18 2HD1 ILE 18 48.954 2.755 1.098 123 3HD1 ILE 18 3HD1 ILE 18 48.196 4.294 0.682 124 HA PRO 19 HA PRO 19 48.721 -0.835 -4.329 125 1HB PRO 19 2HB PRO 19 51.371 0.499 -4.512 126 2HB PRO 19 1HB PRO 19 50.634 -0.690 -5.592 127 1HG PRO 19 2HG PRO 19 50.820 1.885 -6.294 128 2HG PRO 19 1HG PRO 19 49.404 0.910 -6.731 129 1HD PRO 19 2HD PRO 19 49.700 2.983 -4.603 130 2HD PRO 19 1HD PRO 19 48.302 2.608 -5.631 131 H ILE 20 H ILE 20 49.214 -2.152 -2.587 132 HA ILE 20 HA ILE 20 49.914 -0.898 -0.112 133 HB ILE 20 HB ILE 20 49.977 -3.851 -0.529 134 1HG1 ILE 20 2HG1 ILE 20 47.579 -2.082 -0.054 135 2HG1 ILE 20 1HG1 ILE 20 47.849 -3.150 -1.426 136 1HG2 ILE 20 1HG2 ILE 20 49.341 -3.882 1.835 137 2HG2 ILE 20 2HG2 ILE 20 49.334 -2.119 1.848 138 3HG2 ILE 20 3HG2 ILE 20 50.841 -2.994 1.578 139 1HD1 ILE 20 1HD1 ILE 20 47.694 -5.085 0.036 140 2HD1 ILE 20 2HD1 ILE 20 46.242 -4.087 0.134 141 3HD1 ILE 20 3HD1 ILE 20 47.447 -4.019 1.418 142 H SER 21 H SER 21 51.915 0.005 -0.827 143 HA SER 21 HA SER 21 54.053 -1.741 0.138 144 1HB SER 21 2HB SER 21 54.375 -1.774 -2.276 145 2HB SER 21 1HB SER 21 54.195 -0.021 -2.361 146 HG SER 21 HG SER 21 56.108 -0.032 -0.870 147 H TRP 22 H TRP 22 52.196 0.763 0.564 148 HA TRP 22 HA TRP 22 54.277 2.785 1.035 149 1HB TRP 22 2HB TRP 22 51.334 3.189 0.542 150 2HB TRP 22 1HB TRP 22 52.510 4.475 0.781 151 HD1 TRP 22 HD1 TRP 22 54.329 2.142 -1.236 152 HE1 TRP 22 HE1 TRP 22 54.153 2.650 -3.738 153 HE3 TRP 22 HE3 TRP 22 50.375 5.372 -1.136 154 HZ2 TRP 22 HZ2 TRP 22 52.574 4.225 -5.459 155 HZ3 TRP 22 HZ3 TRP 22 49.599 6.342 -3.257 156 HH2 TRP 22 HH2 TRP 22 50.677 5.780 -5.379 157 H THR 23 H THR 23 51.098 2.046 2.364 158 HA THR 23 HA THR 23 51.161 3.480 4.645 159 HB THR 23 HB THR 23 49.150 2.376 4.210 160 HG1 THR 23 HG1 THR 23 49.897 2.374 6.514 161 1HG2 THR 23 1HG2 THR 23 50.648 -0.244 4.334 162 2HG2 THR 23 2HG2 THR 23 50.008 0.523 2.880 163 3HG2 THR 23 3HG2 THR 23 48.906 -0.075 4.119 164 H CYS 24 H CYS 24 52.727 0.417 4.198 165 HA CYS 24 HA CYS 24 53.681 0.411 6.914 166 1HB CYS 24 2HB CYS 24 52.529 -1.583 5.915 167 2HB CYS 24 1HB CYS 24 53.917 -1.772 4.853 168 H ASP 25 H ASP 25 54.849 2.333 4.945 169 HA ASP 25 HA ASP 25 57.566 1.239 5.121 170 1HB ASP 25 2HB ASP 25 58.319 2.732 3.283 171 2HB ASP 25 1HB ASP 25 57.226 1.459 2.793 172 H LEU 26 H LEU 26 56.257 4.592 4.827 173 HA LEU 26 HA LEU 26 57.317 5.280 7.402 174 1HB LEU 26 2HB LEU 26 58.886 5.947 4.954 175 2HB LEU 26 1HB LEU 26 58.853 7.096 6.277 176 HG LEU 26 HG LEU 26 59.779 4.229 6.492 177 1HD1 LEU 26 1HD1 LEU 26 62.015 5.174 6.701 178 2HD1 LEU 26 2HD1 LEU 26 61.370 6.793 6.437 179 3HD1 LEU 26 3HD1 LEU 26 61.296 5.589 5.149 180 1HD2 LEU 26 1HD2 LEU 26 59.869 6.492 8.492 181 2HD2 LEU 26 2HD2 LEU 26 60.587 4.896 8.708 182 3HD2 LEU 26 3HD2 LEU 26 58.838 5.062 8.577 183 H ASP 27 H ASP 27 55.530 6.184 4.551 184 HA ASP 27 HA ASP 27 54.479 8.527 5.869 185 1HB ASP 27 2HB ASP 27 56.706 9.317 5.107 186 2HB ASP 27 1HB ASP 27 56.267 8.921 3.455 187 H ASP 28 H ASP 28 53.103 9.846 4.348 188 HA ASP 28 HA ASP 28 52.094 10.315 2.333 189 1HB ASP 28 2HB ASP 28 53.269 8.659 1.018 190 2HB ASP 28 1HB ASP 28 52.238 7.380 1.655 191 H ASP 29 H ASP 29 50.699 7.111 3.318 192 HA ASP 29 HA ASP 29 48.173 8.336 2.659 193 1HB ASP 29 2HB ASP 29 47.186 6.078 2.960 194 2HB ASP 29 1HB ASP 29 48.458 6.178 1.754 195 H CYS 30 H CYS 30 48.048 5.982 5.215 196 HA CYS 30 HA CYS 30 47.603 7.808 7.312 197 1HB CYS 30 2HB CYS 30 45.164 7.690 7.485 198 2HB CYS 30 1HB CYS 30 45.651 8.454 5.973 199 H GLY 31 H GLY 31 47.060 4.687 5.842 200 1HA GLY 31 2HA GLY 31 46.730 2.594 6.690 201 2HA GLY 31 1HA GLY 31 47.736 3.139 8.026 202 H ASP 32 H ASP 32 46.827 3.824 9.859 203 HA ASP 32 HA ASP 32 43.928 3.388 10.233 204 1HB ASP 32 2HB ASP 32 46.173 2.566 12.101 205 2HB ASP 32 1HB ASP 32 44.463 2.493 12.502 206 H ARG 33 H ARG 33 44.644 5.824 9.671 207 HA ARG 33 HA ARG 33 44.857 8.005 10.314 208 1HB ARG 33 2HB ARG 33 43.420 7.847 12.193 209 2HB ARG 33 1HB ARG 33 44.554 6.832 13.078 210 1HG ARG 33 2HG ARG 33 46.135 8.831 13.008 211 2HG ARG 33 1HG ARG 33 44.720 9.776 12.538 212 1HD ARG 33 2HD ARG 33 43.565 9.039 14.580 213 2HD ARG 33 1HD ARG 33 44.999 8.127 15.049 214 HE ARG 33 HE ARG 33 44.785 11.065 14.930 215 1HH1 ARG 33 1HH1 ARG 33 46.532 8.195 15.946 216 2HH1 ARG 33 2HH1 ARG 33 47.568 9.068 17.033 217 1HH2 ARG 33 1HH2 ARG 33 46.145 12.189 16.366 218 2HH2 ARG 33 2HH2 ARG 33 47.340 11.315 17.278 219 H SER 34 H SER 34 46.766 5.598 11.944 220 HA SER 34 HA SER 34 49.153 7.202 11.458 221 1HB SER 34 2HB SER 34 48.638 5.520 13.926 222 2HB SER 34 1HB SER 34 50.114 6.418 13.574 223 HG SER 34 HG SER 34 48.375 8.234 13.364 224 H ASP 35 H ASP 35 49.374 6.105 9.605 225 HA ASP 35 HA ASP 35 49.351 3.326 9.172 226 1HB ASP 35 2HB ASP 35 50.894 4.037 7.188 227 2HB ASP 35 1HB ASP 35 49.220 4.577 7.238 228 H GLU 36 H GLU 36 51.406 5.032 11.107 229 HA GLU 36 HA GLU 36 53.802 3.441 10.553 230 1HB GLU 36 2HB GLU 36 53.297 5.881 12.266 231 2HB GLU 36 1HB GLU 36 54.831 5.031 12.236 232 1HG GLU 36 2HG GLU 36 53.620 6.099 9.723 233 2HG GLU 36 1HG GLU 36 54.544 7.140 10.806 234 H SER 37 H SER 37 51.138 2.860 12.087 235 HA SER 37 HA SER 37 52.372 1.139 14.031 236 1HB SER 37 2HB SER 37 50.456 3.314 14.932 237 2HB SER 37 1HB SER 37 51.017 1.979 15.937 238 HG SER 37 HG SER 37 53.123 3.238 14.821 239 H ALA 38 H ALA 38 50.308 0.177 15.358 240 HA ALA 38 HA ALA 38 48.328 -0.881 15.409 241 1HB ALA 38 1HB ALA 38 47.573 0.701 12.975 242 2HB ALA 38 2HB ALA 38 47.350 1.226 14.642 243 3HB ALA 38 3HB ALA 38 46.478 -0.182 14.039 244 H SER 39 H SER 39 48.941 -0.587 11.906 245 HA SER 39 HA SER 39 48.450 -3.478 11.755 246 1HB SER 39 2HB SER 39 48.247 -1.349 9.609 247 2HB SER 39 1HB SER 39 47.924 -3.066 9.368 248 HG SER 39 HG SER 39 46.355 -1.114 10.531 249 H CYS 40 H CYS 40 50.767 -0.961 10.838 250 HA CYS 40 HA CYS 40 52.481 -3.025 9.696 251 1HB CYS 40 2HB CYS 40 52.280 -0.894 8.462 252 2HB CYS 40 1HB CYS 40 52.933 -0.040 9.857 253 H ALA 41 H ALA 41 53.724 -4.098 11.047 254 HA ALA 41 HA ALA 41 54.300 -3.073 13.678 255 1HB ALA 41 1HB ALA 41 53.727 -5.432 13.371 256 2HB ALA 41 2HB ALA 41 55.331 -5.250 14.082 257 3HB ALA 41 3HB ALA 41 55.166 -5.651 12.373 258 H TYR 42 H TYR 42 55.749 -2.890 10.669 259 HA TYR 42 HA TYR 42 57.810 -2.392 9.861 260 1HB TYR 42 2HB TYR 42 57.639 -0.710 12.353 261 2HB TYR 42 1HB TYR 42 58.992 -0.576 11.231 262 HD1 TYR 42 HD1 TYR 42 55.679 0.549 11.976 263 HD2 TYR 42 HD2 TYR 42 58.398 -0.137 8.762 264 HE1 TYR 42 HE1 TYR 42 54.383 2.074 10.545 265 HE2 TYR 42 HE2 TYR 42 57.077 1.364 7.329 266 HH TYR 42 HH TYR 42 55.039 3.563 8.351 267 HA PRO 43 HA PRO 43 60.078 -5.357 12.641 268 1HB PRO 43 2HB PRO 43 60.199 -7.154 10.364 269 2HB PRO 43 1HB PRO 43 59.468 -7.421 11.947 270 1HG PRO 43 2HG PRO 43 58.013 -7.171 9.664 271 2HG PRO 43 1HG PRO 43 57.404 -6.698 11.260 272 1HD PRO 43 2HD PRO 43 58.536 -4.975 9.079 273 2HD PRO 43 1HD PRO 43 57.130 -4.688 10.131 274 H THR 44 H THR 44 60.581 -4.760 9.187 275 HA THR 44 HA THR 44 63.302 -3.941 9.566 276 HB THR 44 HB THR 44 63.554 -6.421 9.669 277 HG1 THR 44 HG1 THR 44 64.603 -5.151 7.346 278 1HG2 THR 44 1HG2 THR 44 62.499 -6.387 6.833 279 2HG2 THR 44 2HG2 THR 44 61.658 -7.048 8.237 280 3HG2 THR 44 3HG2 THR 44 63.159 -7.784 7.678 281 H CYS 45 H CYS 45 60.811 -2.965 8.432 282 HA CYS 45 HA CYS 45 59.787 -2.152 6.580 283 1HB CYS 45 2HB CYS 45 62.444 -2.518 5.168 284 2HB CYS 45 1HB CYS 45 61.107 -1.500 4.645 285 H PHE 46 H PHE 46 59.542 -2.769 4.078 286 HA PHE 46 HA PHE 46 58.690 -4.284 2.647 287 1HB PHE 46 2HB PHE 46 60.962 -4.606 2.041 288 2HB PHE 46 1HB PHE 46 61.259 -5.645 3.435 289 HD1 PHE 46 HD1 PHE 46 58.375 -5.728 1.134 290 HD2 PHE 46 HD2 PHE 46 61.934 -7.650 2.430 291 HE1 PHE 46 HE1 PHE 46 57.738 -7.709 -0.138 292 HE2 PHE 46 HE2 PHE 46 61.332 -9.651 1.140 293 HZ PHE 46 HZ PHE 46 59.228 -9.695 -0.160 294 HA PRO 47 HA PRO 47 56.688 -7.681 4.704 295 1HB PRO 47 2HB PRO 47 54.316 -6.632 5.292 296 2HB PRO 47 1HB PRO 47 55.706 -6.341 6.348 297 1HG PRO 47 2HG PRO 47 54.349 -4.500 4.470 298 2HG PRO 47 1HG PRO 47 55.287 -4.130 5.924 299 1HD PRO 47 2HD PRO 47 56.163 -4.099 3.168 300 2HD PRO 47 1HD PRO 47 57.090 -3.662 4.621 301 H LEU 48 H LEU 48 56.608 -5.939 1.928 302 HA LEU 48 HA LEU 48 54.259 -7.280 0.782 303 1HB LEU 48 2HB LEU 48 54.712 -4.309 0.469 304 2HB LEU 48 1HB LEU 48 53.289 -5.238 0.024 305 HG LEU 48 HG LEU 48 54.156 -5.144 2.869 306 1HD1 LEU 48 1HD1 LEU 48 52.730 -3.155 3.211 307 2HD1 LEU 48 2HD1 LEU 48 52.539 -3.011 1.464 308 3HD1 LEU 48 3HD1 LEU 48 54.131 -2.806 2.196 309 1HD2 LEU 48 1HD2 LEU 48 52.381 -6.683 2.253 310 2HD2 LEU 48 2HD2 LEU 48 51.470 -5.370 1.509 311 3HD2 LEU 48 3HD2 LEU 48 51.732 -5.381 3.254 312 H THR 49 H THR 49 56.390 -4.640 -0.222 313 HA THR 49 HA THR 49 57.828 -6.169 -2.125 314 HB THR 49 HB THR 49 55.855 -6.092 -3.470 315 HG1 THR 49 HG1 THR 49 56.801 -5.331 -5.207 316 1HG2 THR 49 1HG2 THR 49 54.659 -4.030 -4.030 317 2HG2 THR 49 2HG2 THR 49 55.715 -3.125 -2.945 318 3HG2 THR 49 3HG2 THR 49 54.627 -4.352 -2.294 319 H GLN 50 H GLN 50 59.610 -5.238 -1.154 320 HA GLN 50 HA GLN 50 60.024 -2.399 -1.424 321 1HB GLN 50 2HB GLN 50 59.258 -3.662 1.155 322 2HB GLN 50 1HB GLN 50 60.526 -2.452 1.190 323 1HG GLN 50 2HG GLN 50 58.972 -0.852 0.115 324 2HG GLN 50 1HG GLN 50 57.703 -2.074 0.225 325 1HE2 GLN 50 1HE2 GLN 50 56.509 -0.618 1.554 326 2HE2 GLN 50 2HE2 GLN 50 56.919 -0.413 3.221 327 H PHE 51 H PHE 51 62.017 -1.686 -0.586 328 HA PHE 51 HA PHE 51 64.056 -3.727 0.038 329 1HB PHE 51 2HB PHE 51 64.555 -2.742 -2.125 330 2HB PHE 51 1HB PHE 51 64.273 -1.128 -1.518 331 HD1 PHE 51 HD1 PHE 51 66.711 -3.585 -2.255 332 HD2 PHE 51 HD2 PHE 51 65.960 -0.252 0.273 333 HE1 PHE 51 HE1 PHE 51 69.112 -3.309 -1.920 334 HE2 PHE 51 HE2 PHE 51 68.377 0.010 0.627 335 HZ PHE 51 HZ PHE 51 69.958 -1.515 -0.466 336 H THR 52 H THR 52 65.574 -2.978 1.704 337 HA THR 52 HA THR 52 64.317 -1.000 3.457 338 HB THR 52 HB THR 52 66.425 -3.052 4.155 339 HG1 THR 52 HG1 THR 52 64.076 -3.643 5.250 340 1HG2 THR 52 1HG2 THR 52 65.728 -2.605 6.476 341 2HG2 THR 52 2HG2 THR 52 64.610 -1.369 5.896 342 3HG2 THR 52 3HG2 THR 52 66.347 -1.152 5.694 343 H CYS 53 H CYS 53 65.115 0.850 2.584 344 HA CYS 53 HA CYS 53 67.648 1.296 1.567 345 1HB CYS 53 2HB CYS 53 65.630 2.767 1.400 346 2HB CYS 53 1HB CYS 53 65.990 3.335 3.024 347 H ASN 54 H ASN 54 69.579 1.806 2.351 348 HA ASN 54 HA ASN 54 70.195 1.006 4.989 349 1HB ASN 54 2HB ASN 54 71.862 2.414 2.896 350 2HB ASN 54 1HB ASN 54 72.504 1.781 4.409 351 1HD2 ASN 54 1HD2 ASN 54 71.051 0.952 1.335 352 2HD2 ASN 54 2HD2 ASN 54 71.567 -0.703 1.343 353 H ASN 55 H ASN 55 69.683 4.136 3.507 354 HA ASN 55 HA ASN 55 70.658 5.543 5.808 355 1HB ASN 55 2HB ASN 55 70.919 6.353 3.442 356 2HB ASN 55 1HB ASN 55 69.190 6.677 3.432 357 1HD2 ASN 55 1HD2 ASN 55 69.788 8.852 2.971 358 2HD2 ASN 55 2HD2 ASN 55 70.265 9.915 4.243 359 H GLY 56 H GLY 56 68.267 3.708 6.007 360 1HA GLY 56 2HA GLY 56 66.973 3.869 7.985 361 2HA GLY 56 1HA GLY 56 66.924 5.608 7.781 362 H ARG 57 H ARG 57 66.241 4.584 4.787 363 HA ARG 57 HA ARG 57 63.402 4.980 5.283 364 1HB ARG 57 2HB ARG 57 64.645 4.591 2.583 365 2HB ARG 57 1HB ARG 57 63.182 5.469 3.001 366 1HG ARG 57 2HG ARG 57 64.343 7.324 3.715 367 2HG ARG 57 1HG ARG 57 65.833 6.409 3.994 368 1HD ARG 57 2HD ARG 57 65.892 5.979 1.527 369 2HD ARG 57 1HD ARG 57 64.595 7.158 1.353 370 HE ARG 57 HE ARG 57 66.622 8.418 2.747 371 1HH1 ARG 57 1HH1 ARG 57 66.153 6.956 -0.392 372 2HH1 ARG 57 2HH1 ARG 57 67.376 7.909 -1.177 373 1HH2 ARG 57 1HH2 ARG 57 68.244 9.701 1.705 374 2HH2 ARG 57 2HH2 ARG 57 68.572 9.444 0.024 375 H CYS 58 H CYS 58 61.790 3.609 4.316 376 HA CYS 58 HA CYS 58 62.738 0.950 3.428 377 1HB CYS 58 2HB CYS 58 59.887 1.708 4.143 378 2HB CYS 58 1HB CYS 58 60.569 0.094 3.977 379 H ILE 59 H ILE 59 62.692 0.733 1.222 380 HA ILE 59 HA ILE 59 61.056 2.709 -0.219 381 HB ILE 59 HB ILE 59 62.635 2.747 -2.030 382 1HG1 ILE 59 2HG1 ILE 59 64.390 0.889 -0.422 383 2HG1 ILE 59 1HG1 ILE 59 63.326 0.337 -1.714 384 1HG2 ILE 59 1HG2 ILE 59 64.578 3.747 -0.881 385 2HG2 ILE 59 2HG2 ILE 59 63.970 3.104 0.646 386 3HG2 ILE 59 3HG2 ILE 59 63.035 4.307 -0.240 387 1HD1 ILE 59 1HD1 ILE 59 65.591 2.297 -2.018 388 2HD1 ILE 59 2HD1 ILE 59 64.535 1.721 -3.311 389 3HD1 ILE 59 3HD1 ILE 59 65.616 0.595 -2.486 390 H ASN 60 H ASN 60 60.556 1.952 -2.573 391 HA ASN 60 HA ASN 60 59.435 -0.720 -2.386 392 1HB ASN 60 2HB ASN 60 58.114 1.162 -3.361 393 2HB ASN 60 1HB ASN 60 59.259 1.228 -4.696 394 1HD2 ASN 60 1HD2 ASN 60 56.704 -0.602 -3.193 395 2HD2 ASN 60 2HD2 ASN 60 56.413 -1.656 -4.536 396 H ILE 61 H ILE 61 59.671 -2.223 -4.320 397 HA ILE 61 HA ILE 61 62.536 -2.629 -4.485 398 HB ILE 61 HB ILE 61 60.930 -4.361 -3.642 399 1HG1 ILE 61 2HG1 ILE 61 62.762 -5.094 -5.936 400 2HG1 ILE 61 1HG1 ILE 61 63.240 -4.879 -4.256 401 1HG2 ILE 61 1HG2 ILE 61 59.792 -5.749 -5.310 402 2HG2 ILE 61 2HG2 ILE 61 60.305 -4.636 -6.579 403 3HG2 ILE 61 3HG2 ILE 61 59.194 -4.086 -5.324 404 1HD1 ILE 61 1HD1 ILE 61 61.366 -6.976 -5.289 405 2HD1 ILE 61 2HD1 ILE 61 61.890 -6.777 -3.616 406 3HD1 ILE 61 3HD1 ILE 61 63.058 -7.216 -4.865 407 H ASN 62 H ASN 62 60.995 -0.791 -6.432 408 HA ASN 62 HA ASN 62 61.636 -2.208 -8.931 409 1HB ASN 62 2HB ASN 62 60.095 -0.811 -10.093 410 2HB ASN 62 1HB ASN 62 59.287 -1.352 -8.631 411 1HD2 ASN 62 1HD2 ASN 62 58.889 0.127 -6.978 412 2HD2 ASN 62 2HD2 ASN 62 58.934 1.832 -7.262 413 H TRP 63 H TRP 63 63.481 -0.592 -7.080 414 HA TRP 63 HA TRP 63 64.297 1.481 -9.010 415 1HB TRP 63 2HB TRP 63 64.690 1.289 -6.036 416 2HB TRP 63 1HB TRP 63 65.523 2.472 -7.042 417 HD1 TRP 63 HD1 TRP 63 62.476 2.457 -8.764 418 HE1 TRP 63 HE1 TRP 63 60.775 4.175 -7.893 419 HE3 TRP 63 HE3 TRP 63 64.581 3.386 -4.241 420 HZ2 TRP 63 HZ2 TRP 63 60.381 5.730 -5.556 421 HZ3 TRP 63 HZ3 TRP 63 63.496 5.003 -2.729 422 HH2 TRP 63 HH2 TRP 63 61.439 6.152 -3.378 423 H ARG 64 H ARG 64 64.992 -1.529 -8.530 424 HA ARG 64 HA ARG 64 67.774 -1.714 -8.204 425 1HB ARG 64 2HB ARG 64 66.225 -3.634 -8.082 426 2HB ARG 64 1HB ARG 64 65.921 -3.489 -9.807 427 1HG ARG 64 2HG ARG 64 67.474 -5.117 -9.894 428 2HG ARG 64 1HG ARG 64 68.577 -3.742 -9.876 429 1HD ARG 64 2HD ARG 64 69.341 -5.376 -8.289 430 2HD ARG 64 1HD ARG 64 68.737 -3.970 -7.405 431 HE ARG 64 HE ARG 64 66.585 -5.599 -7.505 432 1HH1 ARG 64 1HH1 ARG 64 69.920 -6.152 -6.574 433 2HH1 ARG 64 2HH1 ARG 64 69.506 -7.229 -5.275 434 1HH2 ARG 64 1HH2 ARG 64 66.047 -7.062 -5.804 435 2HH2 ARG 64 2HH2 ARG 64 67.315 -7.749 -4.847 436 H CYS 65 H CYS 65 69.139 -0.422 -9.440 437 HA CYS 65 HA CYS 65 68.773 -0.685 -12.342 438 1HB CYS 65 2HB CYS 65 70.104 1.318 -12.655 439 2HB CYS 65 1HB CYS 65 68.761 1.641 -11.567 440 H ASP 66 H ASP 66 71.123 -1.124 -9.780 441 HA ASP 66 HA ASP 66 72.678 -2.731 -11.680 442 1HB ASP 66 2HB ASP 66 74.807 -1.807 -10.936 443 2HB ASP 66 1HB ASP 66 73.780 -0.548 -11.605 444 H ASN 67 H ASN 67 72.706 -1.837 -8.202 445 HA ASN 67 HA ASN 67 73.660 -4.523 -7.643 446 1HB ASN 67 2HB ASN 67 74.989 -2.754 -6.668 447 2HB ASN 67 1HB ASN 67 73.562 -2.050 -5.915 448 1HD2 ASN 67 1HD2 ASN 67 72.841 -2.849 -4.002 449 2HD2 ASN 67 2HD2 ASN 67 73.638 -4.105 -3.125 450 H ASP 68 H ASP 68 71.385 -2.263 -6.083 451 HA ASP 68 HA ASP 68 69.422 -4.388 -5.958 452 1HB ASP 68 2HB ASP 68 70.968 -4.239 -3.789 453 2HB ASP 68 1HB ASP 68 69.795 -2.991 -3.367 454 H ASN 69 H ASN 69 68.428 -2.128 -3.709 455 HA ASN 69 HA ASN 69 67.073 -0.737 -5.910 456 1HB ASN 69 2HB ASN 69 66.087 -1.507 -3.201 457 2HB ASN 69 1HB ASN 69 65.294 -0.242 -4.141 458 1HD2 ASN 69 1HD2 ASN 69 66.068 -3.646 -3.973 459 2HD2 ASN 69 2HD2 ASN 69 64.943 -4.138 -5.191 460 H ASP 70 H ASP 70 66.691 1.387 -5.911 461 HA ASP 70 HA ASP 70 69.071 2.751 -5.223 462 1HB ASP 70 2HB ASP 70 67.456 2.900 -7.303 463 2HB ASP 70 1HB ASP 70 66.716 4.181 -6.348 464 H CYS 71 H CYS 71 69.367 4.666 -4.139 465 HA CYS 71 HA CYS 71 67.223 5.746 -2.498 466 1HB CYS 71 2HB CYS 71 69.668 4.390 -1.413 467 2HB CYS 71 1HB CYS 71 68.888 5.684 -0.510 468 H GLY 72 H GLY 72 70.634 5.885 -3.406 469 1HA GLY 72 2HA GLY 72 71.640 7.914 -4.218 470 2HA GLY 72 1HA GLY 72 70.503 8.824 -3.228 471 H ASP 73 H ASP 73 71.867 6.019 -1.835 472 HA ASP 73 HA ASP 73 73.887 7.554 -0.377 473 1HB ASP 73 2HB ASP 73 73.015 6.371 1.754 474 2HB ASP 73 1HB ASP 73 72.148 7.788 1.169 475 H ASN 74 H ASN 74 73.741 5.341 -2.395 476 HA ASN 74 HA ASN 74 75.311 3.787 -2.983 477 1HB ASN 74 2HB ASN 74 76.199 3.862 -0.088 478 2HB ASN 74 1HB ASN 74 76.983 2.927 -1.355 479 1HD2 ASN 74 1HD2 ASN 74 76.458 6.061 -0.016 480 2HD2 ASN 74 2HD2 ASN 74 77.647 6.894 -0.955 481 H SER 75 H SER 75 72.588 3.346 -1.866 482 HA SER 75 HA SER 75 72.642 0.747 -0.668 483 1HB SER 75 2HB SER 75 70.484 2.421 -1.906 484 2HB SER 75 1HB SER 75 70.175 0.799 -1.294 485 HG SER 75 HG SER 75 70.912 3.138 0.128 486 H ASP 76 H ASP 76 71.121 1.697 -3.670 487 HA ASP 76 HA ASP 76 71.855 -0.811 -4.958 488 1HB ASP 76 2HB ASP 76 69.606 0.047 -5.323 489 2HB ASP 76 1HB ASP 76 70.252 1.582 -5.901 490 H GLU 77 H GLU 77 72.389 2.586 -5.011 491 HA GLU 77 HA GLU 77 73.580 2.924 -7.527 492 1HB GLU 77 2HB GLU 77 74.101 4.820 -5.268 493 2HB GLU 77 1HB GLU 77 73.784 5.168 -6.958 494 1HG GLU 77 2HG GLU 77 71.895 5.904 -5.775 495 2HG GLU 77 1HG GLU 77 71.421 4.397 -6.557 496 H ALA 78 H ALA 78 74.836 1.173 -5.249 497 HA ALA 78 HA ALA 78 77.372 1.885 -4.580 498 1HB ALA 78 1HB ALA 78 77.971 -0.454 -4.640 499 2HB ALA 78 2HB ALA 78 76.602 -0.805 -5.698 500 3HB ALA 78 3HB ALA 78 76.321 -0.273 -4.038 501 H GLY 79 H GLY 79 76.337 0.796 -7.828 502 1HA GLY 79 2HA GLY 79 78.599 2.275 -8.923 503 2HA GLY 79 1HA GLY 79 78.606 0.549 -9.241 504 H CYS 80 H CYS 80 75.822 2.734 -9.123 505 HA CYS 80 HA CYS 80 74.757 1.539 -11.478 506 1HB CYS 80 2HB CYS 80 73.407 2.430 -9.537 507 2HB CYS 80 1HB CYS 80 73.748 4.048 -10.139 508 H SER 81 H SER 81 75.687 4.961 -10.839 509 HA SER 81 HA SER 81 76.649 5.210 -13.549 510 1HB SER 81 2HB SER 81 74.231 6.790 -12.644 511 2HB SER 81 1HB SER 81 75.136 7.093 -14.129 512 HG SER 81 HG SER 81 74.455 4.484 -13.940 513 H HIS 82 HN HIS 82 77.381 7.514 -13.986 514 HA HIS 82 HA HIS 82 78.032 9.078 -11.624 515 1HB HIS 82 2HB HIS 82 79.905 7.493 -11.771 516 2HB HIS 82 1HB HIS 82 80.155 7.923 -13.457 517 HD1 HIS 82 HD1 HIS 82 80.928 10.516 -13.842 518 HD2 HIS 82 HD2 HIS 82 81.308 8.988 -9.996 519 HE1 HIS 82 HE1 HIS 82 82.540 12.041 -12.629
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