NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9566 | 1oa5 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 1H ARG 1 29.051 14.914 -11.711 2 H2 ARG 1 3H ARG 1 27.549 14.115 -11.668 3 H3 ARG 1 2H ARG 1 28.060 15.019 -10.319 4 HA ARG 1 HA ARG 1 28.932 13.196 -9.466 5 1HB ARG 1 2HB ARG 1 28.898 11.051 -10.768 6 2HB ARG 1 1HB ARG 1 27.343 11.879 -10.739 7 1HG ARG 1 2HG ARG 1 27.826 12.844 -12.975 8 2HG ARG 1 1HG ARG 1 29.365 11.992 -13.001 9 1HD ARG 1 2HD ARG 1 28.386 10.093 -13.685 10 2HD ARG 1 1HD ARG 1 27.222 10.150 -12.366 11 HE ARG 1 HE ARG 1 26.632 10.718 -15.075 12 1HH1 ARG 1 1HH1 ARG 1 25.069 12.153 -15.777 13 2HH1 ARG 1 2HH1 ARG 1 24.332 13.264 -14.650 14 1HH2 ARG 1 1HH2 ARG 1 26.121 12.094 -11.966 15 2HH2 ARG 1 2HH2 ARG 1 24.901 13.220 -12.525 16 HA PRO 2 HA PRO 2 32.945 14.283 -11.700 17 1HB PRO 2 2HB PRO 2 33.731 15.350 -9.058 18 2HB PRO 2 1HB PRO 2 33.804 16.125 -10.652 19 1HG PRO 2 2HG PRO 2 32.035 16.880 -8.793 20 2HG PRO 2 1HG PRO 2 31.649 16.903 -10.523 21 1HD PRO 2 1HD PRO 2 30.854 14.876 -8.443 22 2HD PRO 2 2HD PRO 2 29.886 15.574 -9.767 23 H ASP 3 H ASP 3 35.176 14.149 -9.730 24 HA ASP 3 HA ASP 3 35.679 11.345 -9.812 25 1HB ASP 3 2HB ASP 3 37.561 11.883 -8.224 26 2HB ASP 3 1HB ASP 3 37.527 12.889 -9.669 27 H PHE 4 H PHE 4 34.963 13.367 -6.935 28 HA PHE 4 HA PHE 4 34.632 11.128 -5.174 29 1HB PHE 4 2HB PHE 4 33.345 12.842 -3.748 30 2HB PHE 4 1HB PHE 4 35.019 13.226 -4.137 31 HD1 PHE 4 HD1 PHE 4 31.498 14.048 -4.811 32 HD2 PHE 4 HD2 PHE 4 35.579 15.013 -5.723 33 HE1 PHE 4 HE1 PHE 4 30.765 16.178 -5.831 34 HE2 PHE 4 HE2 PHE 4 34.843 17.140 -6.757 35 HZ PHE 4 HZ PHE 4 32.433 17.729 -6.807 36 H CYS 5 H CYS 5 33.287 10.349 -7.383 37 HA CYS 5 HA CYS 5 30.508 10.090 -6.359 38 1HB CYS 5 2HB CYS 5 31.191 11.038 -9.157 39 2HB CYS 5 1HB CYS 5 29.579 10.585 -8.613 40 H LEU 6 H LEU 6 33.211 8.594 -7.298 41 HA LEU 6 HA LEU 6 31.832 6.432 -8.840 42 1HB LEU 6 2HB LEU 6 34.753 7.163 -8.523 43 2HB LEU 6 1HB LEU 6 34.211 5.669 -9.285 44 HG LEU 6 HG LEU 6 32.706 7.841 -10.398 45 1HD1 LEU 6 1HD1 LEU 6 35.677 8.280 -10.152 46 2HD1 LEU 6 3HD1 LEU 6 34.792 8.879 -11.554 47 3HD1 LEU 6 2HD1 LEU 6 34.364 9.440 -9.938 48 1HD2 LEU 6 1HD2 LEU 6 33.202 5.654 -11.449 49 2HD2 LEU 6 3HD2 LEU 6 33.686 6.998 -12.484 50 3HD2 LEU 6 2HD2 LEU 6 34.902 6.109 -11.566 51 H GLU 7 H GLU 7 34.157 6.840 -6.120 52 HA GLU 7 HA GLU 7 34.234 4.143 -5.304 53 1HB GLU 7 2HB GLU 7 34.462 5.392 -2.908 54 2HB GLU 7 1HB GLU 7 35.775 5.309 -4.078 55 1HG GLU 7 2HG GLU 7 35.626 7.533 -4.603 56 2HG GLU 7 1HG GLU 7 33.868 7.547 -4.474 57 HA PRO 8 HA PRO 8 29.987 3.517 -4.113 58 1HB PRO 8 2HB PRO 8 30.315 1.041 -2.979 59 2HB PRO 8 1HB PRO 8 30.266 1.317 -4.731 60 1HG PRO 8 2HG PRO 8 32.617 0.937 -2.938 61 2HG PRO 8 1HG PRO 8 32.321 0.295 -4.564 62 1HD PRO 8 1HD PRO 8 33.938 2.444 -4.119 63 2HD PRO 8 2HD PRO 8 32.986 2.259 -5.609 64 HA PRO 9 HA PRO 9 29.194 4.851 0.008 65 1HB PRO 9 2HB PRO 9 27.740 2.331 0.585 66 2HB PRO 9 1HB PRO 9 27.169 4.004 0.647 67 1HG PRO 9 2HG PRO 9 26.609 2.167 -1.342 68 2HG PRO 9 1HG PRO 9 26.391 3.905 -1.453 69 1HD PRO 9 1HD PRO 9 28.281 2.287 -2.892 70 2HD PRO 9 2HD PRO 9 28.022 4.040 -3.010 71 H TYR 10 H TYR 10 30.484 4.715 1.844 72 HA TYR 10 HA TYR 10 31.599 2.033 2.581 73 1HB TYR 10 2HB TYR 10 33.239 3.630 1.452 74 2HB TYR 10 1HB TYR 10 33.079 4.655 2.874 75 HD1 TYR 10 HD1 TYR 10 34.232 1.366 1.633 76 HD2 TYR 10 HD2 TYR 10 34.047 4.037 4.997 77 HE1 TYR 10 HE1 TYR 10 35.908 -0.016 2.828 78 HE2 TYR 10 HE2 TYR 10 35.725 2.647 6.186 79 HH TYR 10 HH TYR 10 36.642 -0.463 5.064 80 H THR 11 H THR 11 30.534 1.547 4.446 81 HA THR 11 HA THR 11 29.634 3.605 6.311 82 HB THR 11 HB THR 11 29.587 0.575 6.355 83 HG1 THR 11 HG1 THR 11 27.509 2.515 6.343 84 1HG2 THR 11 1HG2 THR 11 29.869 1.591 8.672 85 2HG2 THR 11 3HG2 THR 11 28.326 2.403 8.409 86 3HG2 THR 11 2HG2 THR 11 28.405 0.642 8.437 87 H GLY 12 H GLY 12 32.221 1.150 6.219 88 1HA GLY 12 1HA GLY 12 33.686 2.725 8.265 89 2HA GLY 12 2HA GLY 12 34.375 1.466 7.248 90 HA PRO 13 HA PRO 13 34.182 -1.540 10.425 91 1HB PRO 13 2HB PRO 13 36.081 -0.540 12.246 92 2HB PRO 13 1HB PRO 13 36.404 -1.591 10.857 93 1HG PRO 13 2HG PRO 13 36.837 1.293 11.168 94 2HG PRO 13 1HG PRO 13 37.633 0.141 10.093 95 1HD PRO 13 1HD PRO 13 35.776 2.020 9.276 96 2HD PRO 13 2HD PRO 13 36.159 0.528 8.387 97 H CYS 14 H CYS 14 34.248 1.752 11.853 98 HA CYS 14 HA CYS 14 33.096 1.021 14.373 99 1HB CYS 14 2HB CYS 14 32.807 3.652 12.895 100 2HB CYS 14 1HB CYS 14 32.564 3.399 14.622 101 H LYS 15 H LYS 15 30.826 1.580 15.092 102 HA LYS 15 HA LYS 15 28.839 1.422 12.877 103 1HB LYS 15 2HB LYS 15 28.859 -0.382 15.319 104 2HB LYS 15 1HB LYS 15 27.581 -0.328 14.105 105 1HG LYS 15 2HG LYS 15 30.473 -0.938 13.427 106 2HG LYS 15 1HG LYS 15 29.286 -2.187 13.790 107 1HD LYS 15 2HD LYS 15 28.000 -1.709 11.878 108 2HD LYS 15 1HD LYS 15 28.699 -0.100 11.694 109 1HE LYS 15 2HE LYS 15 30.212 -2.702 11.301 110 2HE LYS 15 1HE LYS 15 29.580 -1.690 10.000 111 1HZ LYS 15 3HZ LYS 15 30.923 0.115 11.450 112 2HZ LYS 15 2HZ LYS 15 31.888 -1.268 11.735 113 3HZ LYS 15 1HZ LYS 15 31.613 -0.712 10.131 114 H ALA 16 H ALA 16 29.216 3.793 14.012 115 HA ALA 16 HA ALA 16 27.423 4.107 16.338 116 1HB ALA 16 2HB ALA 16 28.046 6.544 16.060 117 2HB ALA 16 3HB ALA 16 29.066 6.061 14.705 118 3HB ALA 16 1HB ALA 16 29.419 5.472 16.328 119 H ARG 17 H ARG 17 25.353 5.023 16.192 120 HA ARG 17 HA ARG 17 23.919 4.745 13.742 121 1HB ARG 17 2HB ARG 17 23.330 5.854 16.444 122 2HB ARG 17 1HB ARG 17 22.285 6.395 15.134 123 1HG ARG 17 2HG ARG 17 21.154 4.477 15.773 124 2HG ARG 17 1HG ARG 17 22.226 3.811 14.548 125 1HD ARG 17 2HD ARG 17 23.877 3.548 16.597 126 2HD ARG 17 1HD ARG 17 22.391 3.589 17.539 127 HE ARG 17 HE ARG 17 23.402 1.363 16.028 128 1HH1 ARG 17 1HH1 ARG 17 22.152 -0.328 15.358 129 2HH1 ARG 17 2HH1 ARG 17 20.430 -0.187 15.377 130 1HH2 ARG 17 1HH2 ARG 17 20.450 3.023 16.595 131 2HH2 ARG 17 2HH2 ARG 17 19.472 1.700 16.071 132 H ILE 18 H ILE 18 25.923 6.205 12.756 133 HA ILE 18 HA ILE 18 25.005 9.019 12.736 134 HB ILE 18 HB ILE 18 27.516 7.793 11.555 135 1HG1 ILE 18 2HG1 ILE 18 26.972 9.375 14.087 136 2HG1 ILE 18 1HG1 ILE 18 27.710 7.786 13.948 137 1HG2 ILE 18 2HG2 ILE 18 26.622 10.687 11.799 138 2HG2 ILE 18 1HG2 ILE 18 28.218 10.166 11.260 139 3HG2 ILE 18 3HG2 ILE 18 26.793 9.776 10.298 140 1HD1 ILE 18 1HD1 ILE 18 28.933 10.333 12.869 141 2HD1 ILE 18 3HD1 ILE 18 29.393 9.553 14.382 142 3HD1 ILE 18 2HD1 ILE 18 29.662 8.726 12.848 143 H ILE 19 H ILE 19 23.129 8.697 11.519 144 HA ILE 19 HA ILE 19 23.229 7.484 8.870 145 HB ILE 19 HB ILE 19 21.004 9.366 9.483 146 1HG1 ILE 19 2HG1 ILE 19 21.579 8.342 11.742 147 2HG1 ILE 19 1HG1 ILE 19 19.969 7.951 11.153 148 1HG2 ILE 19 1HG2 ILE 19 21.438 6.658 8.285 149 2HG2 ILE 19 3HG2 ILE 19 19.830 7.069 8.883 150 3HG2 ILE 19 2HG2 ILE 19 20.585 8.052 7.626 151 1HD1 ILE 19 1HD1 ILE 19 22.371 6.156 10.739 152 2HD1 ILE 19 3HD1 ILE 19 21.237 5.980 12.079 153 3HD1 ILE 19 2HD1 ILE 19 20.677 5.773 10.418 154 H ARG 20 H ARG 20 23.731 8.503 6.973 155 HA ARG 20 HA ARG 20 23.713 11.483 6.878 156 1HB ARG 20 2HB ARG 20 26.089 9.763 6.079 157 2HB ARG 20 1HB ARG 20 25.971 11.507 5.858 158 1HG ARG 20 2HG ARG 20 25.460 10.594 8.619 159 2HG ARG 20 1HG ARG 20 27.095 10.289 8.044 160 1HD ARG 20 2HD ARG 20 25.673 12.967 8.044 161 2HD ARG 20 1HD ARG 20 26.982 12.482 9.119 162 HE ARG 20 HE ARG 20 27.917 12.112 6.467 163 1HH1 ARG 20 1HH1 ARG 20 29.124 13.635 5.417 164 2HH1 ARG 20 2HH1 ARG 20 29.042 15.294 5.917 165 1HH2 ARG 20 1HH2 ARG 20 26.777 14.670 8.450 166 2HH2 ARG 20 2HH2 ARG 20 27.733 15.871 7.664 167 H TYR 21 H TYR 21 24.651 11.952 4.393 168 HA TYR 21 HA TYR 21 22.887 10.315 2.614 169 1HB TYR 21 2HB TYR 21 23.681 13.238 2.424 170 2HB TYR 21 1HB TYR 21 22.686 12.390 1.244 171 HD1 TYR 21 HD1 TYR 21 22.854 13.170 4.907 172 HD2 TYR 21 HD2 TYR 21 20.365 12.332 1.518 173 HE1 TYR 21 HE1 TYR 21 20.843 13.642 6.264 174 HE2 TYR 21 HE2 TYR 21 18.358 12.807 2.882 175 HH TYR 21 HH TYR 21 17.916 12.685 5.579 176 H PHE 22 H PHE 22 23.726 9.691 0.569 177 HA PHE 22 HA PHE 22 26.544 10.488 -0.019 178 1HB PHE 22 2HB PHE 22 27.356 8.297 -0.180 179 2HB PHE 22 1HB PHE 22 26.269 8.184 1.195 180 HD1 PHE 22 HD1 PHE 22 27.010 6.958 -2.094 181 HD2 PHE 22 HD2 PHE 22 23.851 7.428 0.777 182 HE1 PHE 22 HE1 PHE 22 25.686 5.214 -3.273 183 HE2 PHE 22 HE2 PHE 22 22.520 5.693 -0.400 184 HZ PHE 22 HZ PHE 22 23.436 4.589 -2.427 185 H TYR 23 H TYR 23 27.119 9.372 -2.284 186 HA TYR 23 HA TYR 23 24.884 10.126 -4.131 187 1HB TYR 23 2HB TYR 23 26.887 11.457 -4.424 188 2HB TYR 23 1HB TYR 23 27.891 10.011 -4.493 189 HD1 TYR 23 HD1 TYR 23 28.476 9.182 -6.581 190 HD2 TYR 23 HD2 TYR 23 24.881 11.487 -6.179 191 HE1 TYR 23 HE1 TYR 23 28.120 9.051 -9.025 192 HE2 TYR 23 HE2 TYR 23 24.527 11.356 -8.628 193 HH TYR 23 HH TYR 23 25.722 9.267 -10.539 194 H ASN 24 H ASN 24 23.812 8.383 -4.975 195 HA ASN 24 HA ASN 24 25.098 5.728 -5.070 196 1HB ASN 24 2HB ASN 24 22.724 6.020 -4.344 197 2HB ASN 24 1HB ASN 24 22.317 6.554 -5.970 198 1HD2 ASN 24 1HD2 ASN 24 21.099 4.239 -4.890 199 2HD2 ASN 24 2HD2 ASN 24 21.675 2.881 -5.738 200 H ALA 25 H ALA 25 26.720 6.136 -6.707 201 HA ALA 25 HA ALA 25 26.103 7.133 -9.329 202 1HB ALA 25 2HB ALA 25 28.413 6.763 -8.105 203 2HB ALA 25 3HB ALA 25 28.314 6.642 -9.861 204 3HB ALA 25 1HB ALA 25 28.334 5.180 -8.876 205 H LYS 26 H LYS 26 25.382 4.107 -7.873 206 HA LYS 26 HA LYS 26 25.576 2.441 -10.222 207 1HB LYS 26 2HB LYS 26 25.123 1.935 -7.587 208 2HB LYS 26 1HB LYS 26 23.486 1.775 -8.223 209 1HG LYS 26 2HG LYS 26 25.630 0.479 -9.822 210 2HG LYS 26 1HG LYS 26 25.284 -0.256 -8.256 211 1HD LYS 26 2HD LYS 26 22.856 -0.334 -8.867 212 2HD LYS 26 1HD LYS 26 23.266 0.299 -10.463 213 1HE LYS 26 2HE LYS 26 24.875 -1.696 -10.672 214 2HE LYS 26 1HE LYS 26 24.054 -2.362 -9.256 215 1HZ LYS 26 2HZ LYS 26 21.927 -2.048 -10.499 216 2HZ LYS 26 1HZ LYS 26 22.845 -1.665 -11.878 217 3HZ LYS 26 3HZ LYS 26 22.973 -3.205 -11.177 218 H ALA 27 H ALA 27 23.270 4.816 -9.199 219 HA ALA 27 HA ALA 27 21.541 4.029 -11.516 220 1HB ALA 27 2HB ALA 27 20.406 3.525 -9.341 221 2HB ALA 27 3HB ALA 27 19.548 4.706 -10.321 222 3HB ALA 27 1HB ALA 27 20.505 5.238 -8.939 223 H GLY 28 H GLY 28 23.293 6.511 -9.887 224 1HA GLY 28 1HA GLY 28 22.600 8.399 -12.079 225 2HA GLY 28 2HA GLY 28 23.925 8.569 -10.937 226 H LEU 29 H LEU 29 22.318 8.130 -8.555 227 HA LEU 29 HA LEU 29 21.163 10.849 -8.362 228 1HB LEU 29 2HB LEU 29 19.468 8.803 -9.024 229 2HB LEU 29 1HB LEU 29 19.386 8.738 -7.265 230 HG LEU 29 HG LEU 29 19.019 11.298 -7.372 231 1HD1 LEU 29 2HD1 LEU 29 18.382 10.513 -10.232 232 2HD1 LEU 29 1HD1 LEU 29 17.981 12.063 -9.494 233 3HD1 LEU 29 3HD1 LEU 29 19.669 11.604 -9.717 234 1HD2 LEU 29 3HD2 LEU 29 17.048 9.194 -8.253 235 2HD2 LEU 29 2HD2 LEU 29 17.175 10.004 -6.690 236 3HD2 LEU 29 1HD2 LEU 29 16.554 10.879 -8.091 237 H CYS 30 H CYS 30 20.986 11.545 -6.129 238 HA CYS 30 HA CYS 30 22.858 10.189 -4.348 239 1HB CYS 30 2HB CYS 30 21.035 12.566 -3.919 240 2HB CYS 30 1HB CYS 30 22.199 11.984 -2.727 241 H GLN 31 H GLN 31 22.282 9.488 -2.144 242 HA GLN 31 HA GLN 31 19.456 8.857 -1.614 243 1HB GLN 31 2HB GLN 31 21.364 6.858 -2.656 244 2HB GLN 31 1HB GLN 31 20.517 6.358 -1.195 245 1HG GLN 31 2HG GLN 31 18.531 6.147 -2.279 246 2HG GLN 31 1HG GLN 31 18.760 7.647 -3.177 247 1HE2 GLN 31 1HE2 GLN 31 19.275 7.414 -5.376 248 2HE2 GLN 31 2HE2 GLN 31 19.809 5.971 -6.092 249 H THR 32 H THR 32 19.336 7.641 0.561 250 HA THR 32 HA THR 32 21.236 8.933 2.426 251 HB THR 32 HB THR 32 19.664 8.077 4.169 252 HG1 THR 32 HG1 THR 32 17.823 7.002 3.465 253 1HG2 THR 32 2HG2 THR 32 19.300 10.256 2.862 254 2HG2 THR 32 1HG2 THR 32 18.094 9.366 1.929 255 3HG2 THR 32 3HG2 THR 32 17.882 9.583 3.668 256 H PHE 33 H PHE 33 22.205 7.603 4.211 257 HA PHE 33 HA PHE 33 22.340 4.713 3.876 258 1HB PHE 33 2HB PHE 33 24.484 4.430 3.018 259 2HB PHE 33 1HB PHE 33 23.917 5.815 2.098 260 HD1 PHE 33 HD1 PHE 33 26.519 4.562 4.146 261 HD2 PHE 33 HD2 PHE 33 24.432 8.180 3.162 262 HE1 PHE 33 HE1 PHE 33 28.445 5.891 4.947 263 HE2 PHE 33 HE2 PHE 33 26.358 9.511 3.976 264 HZ PHE 33 HZ PHE 33 28.365 8.363 4.868 265 H VAL 34 H VAL 34 24.371 3.923 5.367 266 HA VAL 34 HA VAL 34 24.144 5.520 7.881 267 HB VAL 34 HB VAL 34 24.304 2.526 7.450 268 1HG1 VAL 34 3HG1 VAL 34 24.560 4.163 9.983 269 2HG1 VAL 34 2HG1 VAL 34 24.153 2.448 9.981 270 3HG1 VAL 34 1HG1 VAL 34 25.706 2.985 9.343 271 1HG2 VAL 34 2HG2 VAL 34 22.238 4.347 8.739 272 2HG2 VAL 34 1HG2 VAL 34 22.054 3.466 7.220 273 3HG2 VAL 34 3HG2 VAL 34 22.163 2.584 8.744 274 H TYR 35 H TYR 35 26.035 6.337 8.636 275 HA TYR 35 HA TYR 35 28.593 5.249 7.545 276 1HB TYR 35 2HB TYR 35 28.310 7.630 7.225 277 2HB TYR 35 1HB TYR 35 27.902 7.852 8.925 278 HD1 TYR 35 HD1 TYR 35 30.619 5.683 7.529 279 HD2 TYR 35 HD2 TYR 35 29.634 9.298 9.630 280 HE1 TYR 35 HE1 TYR 35 33.014 6.038 8.038 281 HE2 TYR 35 HE2 TYR 35 32.034 9.648 10.139 282 HH TYR 35 HH TYR 35 34.059 8.542 10.252 283 H GLY 36 H GLY 36 29.882 4.046 8.851 284 1HA GLY 36 1HA GLY 36 30.752 3.060 10.772 285 2HA GLY 36 2HA GLY 36 29.153 3.268 11.476 286 H GLY 37 H GLY 37 31.358 5.830 10.358 287 1HA GLY 37 1HA GLY 37 31.640 6.689 13.207 288 2HA GLY 37 2HA GLY 37 31.237 7.852 11.949 289 H CYS 38 H CYS 38 33.484 5.199 11.414 290 HA CYS 38 HA CYS 38 35.688 7.239 11.275 291 1HB CYS 38 2HB CYS 38 37.234 5.468 12.056 292 2HB CYS 38 1HB CYS 38 35.971 5.807 13.240 293 H ARG 39 H ARG 39 37.422 6.751 9.797 294 HA ARG 39 HA ARG 39 38.265 6.171 7.705 295 1HB ARG 39 2HB ARG 39 36.883 3.641 8.574 296 2HB ARG 39 1HB ARG 39 37.668 3.742 7.004 297 1HG ARG 39 2HG ARG 39 39.634 4.778 8.558 298 2HG ARG 39 1HG ARG 39 38.878 3.687 9.719 299 1HD ARG 39 2HD ARG 39 39.177 1.799 8.257 300 2HD ARG 39 1HD ARG 39 39.698 2.840 6.928 301 HE ARG 39 HE ARG 39 41.507 3.372 8.991 302 1HH1 ARG 39 1HH1 ARG 39 43.434 2.265 9.230 303 2HH1 ARG 39 2HH1 ARG 39 43.597 0.682 8.559 304 1HH2 ARG 39 1HH2 ARG 39 40.406 0.613 7.275 305 2HH2 ARG 39 2HH2 ARG 39 41.890 -0.251 7.460 306 H ALA 40 H ALA 40 36.131 7.826 7.411 307 HA ALA 40 HA ALA 40 34.085 6.664 5.677 308 1HB ALA 40 2HB ALA 40 34.052 8.840 7.204 309 2HB ALA 40 1HB ALA 40 34.646 9.607 5.732 310 3HB ALA 40 3HB ALA 40 33.098 8.759 5.722 311 H LYS 41 H LYS 41 33.815 8.218 3.525 312 HA LYS 41 HA LYS 41 36.435 8.298 2.102 313 1HB LYS 41 2HB LYS 41 33.908 7.107 0.924 314 2HB LYS 41 1HB LYS 41 35.511 7.133 0.187 315 1HG LYS 41 2HG LYS 41 34.861 5.729 2.800 316 2HG LYS 41 1HG LYS 41 34.923 4.921 1.231 317 1HD LYS 41 2HD LYS 41 37.248 5.283 1.002 318 2HD LYS 41 1HD LYS 41 37.268 6.539 2.237 319 1HE LYS 41 2HE LYS 41 36.336 3.844 3.097 320 2HE LYS 41 1HE LYS 41 38.053 4.005 2.738 321 1HZ LYS 41 1HZ LYS 41 37.190 6.246 4.246 322 2HZ LYS 41 3HZ LYS 41 36.704 4.816 5.061 323 3HZ LYS 41 2HZ LYS 41 38.351 5.059 4.652 324 H ARG 42 H ARG 42 35.617 9.164 -0.378 325 HA ARG 42 HA ARG 42 34.829 11.907 0.185 326 1HB ARG 42 2HB ARG 42 35.177 10.443 -2.446 327 2HB ARG 42 1HB ARG 42 34.888 12.172 -2.301 328 1HG ARG 42 2HG ARG 42 36.972 12.052 -0.662 329 2HG ARG 42 1HG ARG 42 37.335 10.594 -1.589 330 1HD ARG 42 2HD ARG 42 37.199 11.895 -3.683 331 2HD ARG 42 1HD ARG 42 36.852 13.356 -2.757 332 HE ARG 42 HE ARG 42 39.254 12.405 -1.697 333 1HH1 ARG 42 1HH1 ARG 42 41.261 13.030 -2.485 334 2HH1 ARG 42 2HH1 ARG 42 41.394 13.624 -4.103 335 1HH2 ARG 42 1HH2 ARG 42 38.039 13.306 -4.803 336 2HH2 ARG 42 2HH2 ARG 42 39.586 13.772 -5.407 337 H ASN 43 H ASN 43 33.251 9.075 -1.282 338 HA ASN 43 HA ASN 43 30.788 10.381 -2.001 339 1HB ASN 43 2HB ASN 43 31.730 7.930 -2.483 340 2HB ASN 43 1HB ASN 43 30.807 7.539 -1.037 341 1HD2 ASN 43 1HD2 ASN 43 30.270 6.734 -3.857 342 2HD2 ASN 43 2HD2 ASN 43 28.699 7.319 -4.206 343 H ASN 44 H ASN 44 31.051 11.700 0.142 344 HA ASN 44 HA ASN 44 29.131 10.542 2.115 345 1HB ASN 44 2HB ASN 44 31.568 10.183 2.859 346 2HB ASN 44 1HB ASN 44 31.673 11.934 3.002 347 1HD2 ASN 44 1HD2 ASN 44 30.937 9.146 4.763 348 2HD2 ASN 44 2HD2 ASN 44 30.024 9.874 6.000 349 H PHE 45 H PHE 45 27.647 12.068 2.731 350 HA PHE 45 HA PHE 45 28.341 14.946 2.550 351 1HB PHE 45 2HB PHE 45 26.003 13.658 1.108 352 2HB PHE 45 1HB PHE 45 26.226 15.400 1.288 353 HD1 PHE 45 HD1 PHE 45 27.202 12.435 -0.552 354 HD2 PHE 45 HD2 PHE 45 28.316 16.482 0.362 355 HE1 PHE 45 HE1 PHE 45 28.760 12.442 -2.476 356 HE2 PHE 45 HE2 PHE 45 29.872 16.484 -1.566 357 HZ PHE 45 HZ PHE 45 30.096 14.466 -2.981 358 H LYS 46 H LYS 46 26.266 16.235 3.414 359 HA LYS 46 HA LYS 46 25.335 14.707 5.807 360 1HB LYS 46 2HB LYS 46 25.520 16.633 7.099 361 2HB LYS 46 1HB LYS 46 26.787 16.931 5.921 362 1HG LYS 46 2HG LYS 46 25.128 18.199 4.534 363 2HG LYS 46 1HG LYS 46 23.967 18.014 5.853 364 1HD LYS 46 2HD LYS 46 24.838 20.019 6.518 365 2HD LYS 46 1HD LYS 46 26.069 18.991 7.250 366 1HE LYS 46 2HE LYS 46 26.544 19.656 4.408 367 2HE LYS 46 1HE LYS 46 26.599 21.032 5.509 368 1HZ LYS 46 2HZ LYS 46 28.117 18.503 5.862 369 2HZ LYS 46 1HZ LYS 46 28.758 19.956 5.263 370 3HZ LYS 46 3HZ LYS 46 28.205 19.874 6.866 371 H SER 47 H SER 47 24.218 16.346 2.955 372 HA SER 47 HA SER 47 21.412 15.815 3.837 373 1HB SER 47 2HB SER 47 20.652 17.963 3.392 374 2HB SER 47 1HB SER 47 22.266 18.329 3.994 375 HG SER 47 HG SER 47 22.744 19.105 2.100 376 H ALA 48 H ALA 48 19.886 15.721 2.010 377 HA ALA 48 HA ALA 48 20.911 14.213 -0.223 378 1HB ALA 48 3HB ALA 48 18.602 13.927 0.564 379 2HB ALA 48 2HB ALA 48 18.241 15.610 0.187 380 3HB ALA 48 1HB ALA 48 18.584 14.468 -1.113 381 H GLU 49 H GLU 49 19.907 17.561 0.271 382 HA GLU 49 HA GLU 49 20.223 18.434 -2.450 383 1HB GLU 49 2HB GLU 49 20.457 19.982 0.159 384 2HB GLU 49 1HB GLU 49 20.302 20.710 -1.438 385 1HG GLU 49 2HG GLU 49 18.102 20.662 -0.373 386 2HG GLU 49 1HG GLU 49 18.109 19.530 -1.721 387 H ASP 50 H ASP 50 22.403 18.260 0.367 388 HA ASP 50 HA ASP 50 24.646 19.583 -0.735 389 1HB ASP 50 2HB ASP 50 24.270 17.461 1.333 390 2HB ASP 50 1HB ASP 50 25.907 17.805 0.776 391 H CYS 51 H CYS 51 23.964 16.088 -0.730 392 HA CYS 51 HA CYS 51 26.169 15.359 -2.386 393 1HB CYS 51 2HB CYS 51 25.048 13.648 -1.144 394 2HB CYS 51 1HB CYS 51 23.495 14.046 -1.875 395 H MET 52 H MET 52 22.799 16.145 -3.247 396 HA MET 52 HA MET 52 23.088 15.572 -6.045 397 1HB MET 52 2HB MET 52 21.156 17.243 -4.444 398 2HB MET 52 1HB MET 52 21.026 17.100 -6.198 399 1HG MET 52 2HG MET 52 21.018 14.797 -4.221 400 2HG MET 52 1HG MET 52 19.611 15.410 -5.091 401 1HE MET 52 1HE MET 52 19.620 15.899 -7.391 402 2HE MET 52 3HE MET 52 20.410 15.006 -8.696 403 3HE MET 52 2HE MET 52 19.059 14.286 -7.826 404 H ARG 53 H ARG 53 23.293 18.672 -4.254 405 HA ARG 53 HA ARG 53 23.841 20.230 -6.634 406 1HB ARG 53 2HB ARG 53 23.017 21.647 -5.046 407 2HB ARG 53 1HB ARG 53 23.652 20.690 -3.713 408 1HG ARG 53 2HG ARG 53 25.577 22.229 -5.437 409 2HG ARG 53 1HG ARG 53 24.639 23.087 -4.218 410 1HD ARG 53 2HD ARG 53 26.111 20.563 -3.499 411 2HD ARG 53 1HD ARG 53 26.955 22.110 -3.518 412 HE ARG 53 HE ARG 53 24.705 22.608 -1.986 413 1HH1 ARG 53 1HH1 ARG 53 24.626 22.326 0.235 414 2HH1 ARG 53 2HH1 ARG 53 25.686 21.170 0.995 415 1HH2 ARG 53 1HH2 ARG 53 27.228 20.229 -1.949 416 2HH2 ARG 53 2HH2 ARG 53 27.136 20.040 -0.216 417 H THR 54 H THR 54 25.891 18.405 -4.446 418 HA THR 54 HA THR 54 28.292 19.767 -5.555 419 HB THR 54 HB THR 54 28.537 17.590 -3.516 420 HG1 THR 54 HG1 THR 54 26.832 18.716 -2.650 421 1HG2 THR 54 3HG2 THR 54 29.821 20.299 -3.965 422 2HG2 THR 54 2HG2 THR 54 30.231 19.204 -2.645 423 3HG2 THR 54 1HG2 THR 54 30.537 18.725 -4.315 424 H CYS 55 H CYS 55 27.460 16.319 -4.877 425 HA CYS 55 HA CYS 55 29.357 15.471 -6.956 426 1HB CYS 55 2HB CYS 55 29.231 14.023 -5.070 427 2HB CYS 55 1HB CYS 55 27.471 13.980 -5.126 428 H GLY 56 H GLY 56 25.835 15.271 -6.482 429 1HA GLY 56 1HA GLY 56 24.111 15.119 -8.065 430 2HA GLY 56 2HA GLY 56 25.199 14.048 -8.951 431 H GLY 57 H GLY 57 24.346 17.460 -8.426 432 1HA GLY 57 1HA GLY 57 26.042 18.530 -10.505 433 2HA GLY 57 2HA GLY 57 24.615 19.334 -9.842 434 H ALA 58 H ALA 58 25.003 16.259 -11.579 435 HA ALA 58 HA ALA 58 22.628 16.689 -13.177 436 1HB ALA 58 1HB ALA 58 25.323 17.293 -14.350 437 2HB ALA 58 3HB ALA 58 24.103 16.534 -15.372 438 3HB ALA 58 2HB ALA 58 23.778 18.096 -14.625 No H/Q in entry = 438 Start of MODEL 2 1 H1 ARG 1 1H ARG 1 29.172 15.117 -11.612 2 H2 ARG 1 3H ARG 1 27.645 14.368 -11.579 3 H3 ARG 1 2H ARG 1 28.195 15.215 -10.210 4 HA ARG 1 HA ARG 1 29.000 13.338 -9.417 5 1HB ARG 1 2HB ARG 1 28.893 11.241 -10.783 6 2HB ARG 1 1HB ARG 1 27.368 12.118 -10.721 7 1HG ARG 1 2HG ARG 1 27.852 13.131 -12.924 8 2HG ARG 1 1HG ARG 1 29.380 12.263 -12.988 9 1HD ARG 1 2HD ARG 1 28.375 10.400 -13.732 10 2HD ARG 1 1HD ARG 1 27.212 10.428 -12.411 11 HE ARG 1 HE ARG 1 26.653 11.121 -15.111 12 1HH1 ARG 1 1HH1 ARG 1 25.080 12.569 -15.753 13 2HH1 ARG 1 2HH1 ARG 1 24.313 13.608 -14.580 14 1HH2 ARG 1 1HH2 ARG 1 26.105 12.339 -11.938 15 2HH2 ARG 1 2HH2 ARG 1 24.872 13.473 -12.452 16 HA PRO 2 HA PRO 2 33.057 14.345 -11.626 17 1HB PRO 2 2HB PRO 2 33.836 15.392 -8.973 18 2HB PRO 2 1HB PRO 2 33.954 16.162 -10.568 19 1HG PRO 2 2HG PRO 2 32.176 16.971 -8.739 20 2HG PRO 2 1HG PRO 2 31.814 16.994 -10.474 21 1HD PRO 2 1HD PRO 2 30.934 14.999 -8.399 22 2HD PRO 2 2HD PRO 2 30.008 15.709 -9.739 23 H ASP 3 H ASP 3 35.280 14.167 -9.667 24 HA ASP 3 HA ASP 3 35.739 11.362 -9.731 25 1HB ASP 3 2HB ASP 3 37.597 11.888 -8.088 26 2HB ASP 3 1HB ASP 3 37.621 12.847 -9.565 27 H PHE 4 H PHE 4 35.024 13.379 -6.841 28 HA PHE 4 HA PHE 4 34.650 11.132 -5.100 29 1HB PHE 4 2HB PHE 4 33.350 12.857 -3.687 30 2HB PHE 4 1HB PHE 4 35.039 13.205 -4.025 31 HD1 PHE 4 HD1 PHE 4 31.548 14.076 -4.852 32 HD2 PHE 4 HD2 PHE 4 35.687 15.028 -5.494 33 HE1 PHE 4 HE1 PHE 4 30.895 16.233 -5.885 34 HE2 PHE 4 HE2 PHE 4 35.032 17.179 -6.527 35 HZ PHE 4 HZ PHE 4 32.637 17.786 -6.721 36 H CYS 5 H CYS 5 33.298 10.405 -7.344 37 HA CYS 5 HA CYS 5 30.518 10.163 -6.306 38 1HB CYS 5 2HB CYS 5 31.208 11.196 -9.072 39 2HB CYS 5 1HB CYS 5 29.594 10.721 -8.558 40 H LEU 6 H LEU 6 33.160 8.609 -7.279 41 HA LEU 6 HA LEU 6 31.687 6.516 -8.832 42 1HB LEU 6 2HB LEU 6 34.628 7.208 -8.693 43 2HB LEU 6 1HB LEU 6 34.024 5.734 -9.448 44 HG LEU 6 HG LEU 6 32.455 7.888 -10.449 45 1HD1 LEU 6 1HD1 LEU 6 35.442 8.395 -10.477 46 2HD1 LEU 6 3HD1 LEU 6 34.306 9.185 -11.570 47 3HD1 LEU 6 2HD1 LEU 6 34.190 9.455 -9.831 48 1HD2 LEU 6 1HD2 LEU 6 33.094 5.713 -11.548 49 2HD2 LEU 6 3HD2 LEU 6 33.326 7.125 -12.580 50 3HD2 LEU 6 2HD2 LEU 6 34.712 6.372 -11.792 51 H GLU 7 H GLU 7 33.994 6.946 -6.130 52 HA GLU 7 HA GLU 7 34.207 4.202 -5.426 53 1HB GLU 7 2HB GLU 7 34.507 5.365 -3.012 54 2HB GLU 7 1HB GLU 7 35.764 5.398 -4.242 55 1HG GLU 7 2HG GLU 7 35.499 7.634 -4.640 56 2HG GLU 7 1HG GLU 7 33.752 7.561 -4.444 57 HA PRO 8 HA PRO 8 29.992 3.459 -4.186 58 1HB PRO 8 2HB PRO 8 30.464 1.001 -2.984 59 2HB PRO 8 1HB PRO 8 30.224 1.248 -4.722 60 1HG PRO 8 2HG PRO 8 32.732 0.852 -3.193 61 2HG PRO 8 1HG PRO 8 32.304 0.320 -4.826 62 1HD PRO 8 1HD PRO 8 33.949 2.453 -4.333 63 2HD PRO 8 2HD PRO 8 32.939 2.319 -5.791 64 HA PRO 9 HA PRO 9 29.353 4.865 -0.069 65 1HB PRO 9 2HB PRO 9 27.678 2.681 0.780 66 2HB PRO 9 1HB PRO 9 27.197 4.308 0.288 67 1HG PRO 9 2HG PRO 9 27.104 1.816 -1.210 68 2HG PRO 9 1HG PRO 9 26.286 3.351 -1.529 69 1HD PRO 9 1HD PRO 9 28.362 2.363 -3.051 70 2HD PRO 9 2HD PRO 9 27.960 4.089 -2.933 71 H TYR 10 H TYR 10 30.634 4.687 1.710 72 HA TYR 10 HA TYR 10 31.658 1.974 2.463 73 1HB TYR 10 2HB TYR 10 33.304 3.632 1.426 74 2HB TYR 10 1HB TYR 10 33.101 4.597 2.885 75 HD1 TYR 10 HD1 TYR 10 34.300 1.362 1.538 76 HD2 TYR 10 HD2 TYR 10 34.048 3.921 4.988 77 HE1 TYR 10 HE1 TYR 10 35.984 -0.038 2.709 78 HE2 TYR 10 HE2 TYR 10 35.734 2.517 6.148 79 HH TYR 10 HH TYR 10 36.683 -0.542 4.985 80 H THR 11 H THR 11 30.477 1.445 4.263 81 HA THR 11 HA THR 11 29.560 3.457 6.163 82 HB THR 11 HB THR 11 29.495 0.426 6.143 83 HG1 THR 11 HG1 THR 11 27.439 2.390 6.130 84 1HG2 THR 11 1HG2 THR 11 29.748 1.358 8.483 85 2HG2 THR 11 3HG2 THR 11 28.245 2.239 8.218 86 3HG2 THR 11 2HG2 THR 11 28.250 0.478 8.201 87 H GLY 12 H GLY 12 32.175 1.051 6.038 88 1HA GLY 12 1HA GLY 12 33.544 2.556 8.199 89 2HA GLY 12 2HA GLY 12 34.292 1.364 7.144 90 HA PRO 13 HA PRO 13 34.028 -1.789 10.186 91 1HB PRO 13 2HB PRO 13 35.934 -0.988 12.043 92 2HB PRO 13 1HB PRO 13 36.289 -1.806 10.509 93 1HG PRO 13 2HG PRO 13 36.491 1.067 11.215 94 2HG PRO 13 1HG PRO 13 37.501 0.092 10.136 95 1HD PRO 13 1HD PRO 13 35.615 1.848 9.218 96 2HD PRO 13 2HD PRO 13 36.087 0.388 8.328 97 H CYS 14 H CYS 14 34.183 1.433 11.766 98 HA CYS 14 HA CYS 14 33.007 0.625 14.244 99 1HB CYS 14 2HB CYS 14 32.731 3.330 12.904 100 2HB CYS 14 1HB CYS 14 32.569 2.986 14.626 101 H LYS 15 H LYS 15 30.752 1.221 14.976 102 HA LYS 15 HA LYS 15 28.774 1.170 12.748 103 1HB LYS 15 2HB LYS 15 28.747 -0.682 15.157 104 2HB LYS 15 1HB LYS 15 27.465 -0.567 13.951 105 1HG LYS 15 2HG LYS 15 30.334 -1.248 13.239 106 2HG LYS 15 1HG LYS 15 29.120 -2.472 13.602 107 1HD LYS 15 2HD LYS 15 27.847 -1.972 11.701 108 2HD LYS 15 1HD LYS 15 28.524 -0.353 11.548 109 1HE LYS 15 2HE LYS 15 30.049 -2.932 11.062 110 2HE LYS 15 1HE LYS 15 29.404 -1.878 9.801 111 1HZ LYS 15 3HZ LYS 15 30.769 -0.118 11.281 112 2HZ LYS 15 2HZ LYS 15 31.729 -1.511 11.530 113 3HZ LYS 15 1HZ LYS 15 31.448 -0.922 9.940 114 H ALA 16 H ALA 16 29.203 3.516 13.910 115 HA ALA 16 HA ALA 16 27.521 3.867 16.297 116 1HB ALA 16 2HB ALA 16 28.125 6.234 16.096 117 2HB ALA 16 1HB ALA 16 29.569 5.236 15.928 118 3HB ALA 16 3HB ALA 16 28.815 5.942 14.499 119 H ARG 17 H ARG 17 25.482 4.879 16.312 120 HA ARG 17 HA ARG 17 23.803 4.490 14.014 121 1HB ARG 17 2HB ARG 17 23.478 5.626 16.755 122 2HB ARG 17 1HB ARG 17 22.332 6.203 15.549 123 1HG ARG 17 2HG ARG 17 21.191 4.328 16.186 124 2HG ARG 17 1HG ARG 17 22.232 3.580 14.981 125 1HD ARG 17 2HD ARG 17 23.892 3.404 17.063 126 2HD ARG 17 1HD ARG 17 22.380 3.443 17.969 127 HE ARG 17 HE ARG 17 23.436 1.186 16.590 128 1HH1 ARG 17 1HH1 ARG 17 22.203 -0.499 15.839 129 2HH1 ARG 17 2HH1 ARG 17 20.492 -0.312 15.694 130 1HH2 ARG 17 1HH2 ARG 17 20.489 2.926 16.855 131 2HH2 ARG 17 2HH2 ARG 17 19.523 1.623 16.264 132 H ILE 18 H ILE 18 25.672 5.904 12.771 133 HA ILE 18 HA ILE 18 24.717 8.728 12.746 134 HB ILE 18 HB ILE 18 27.326 7.506 11.804 135 1HG1 ILE 18 2HG1 ILE 18 26.681 9.609 13.906 136 2HG1 ILE 18 1HG1 ILE 18 27.124 7.937 14.239 137 1HG2 ILE 18 2HG2 ILE 18 26.259 10.331 11.490 138 2HG2 ILE 18 1HG2 ILE 18 27.944 9.880 11.245 139 3HG2 ILE 18 3HG2 ILE 18 26.693 9.218 10.194 140 1HD1 ILE 18 1HD1 ILE 18 29.244 8.461 12.809 141 2HD1 ILE 18 3HD1 ILE 18 28.839 10.149 13.118 142 3HD1 ILE 18 2HD1 ILE 18 29.181 9.061 14.464 143 H ILE 19 H ILE 19 22.993 8.691 11.367 144 HA ILE 19 HA ILE 19 23.188 7.348 8.742 145 HB ILE 19 HB ILE 19 20.909 9.164 9.449 146 1HG1 ILE 19 2HG1 ILE 19 21.345 7.950 11.561 147 2HG1 ILE 19 1HG1 ILE 19 19.857 7.383 10.807 148 1HG2 ILE 19 2HG2 ILE 19 21.450 6.771 7.785 149 2HG2 ILE 19 1HG2 ILE 19 19.864 6.822 8.555 150 3HG2 ILE 19 3HG2 ILE 19 20.370 8.130 7.487 151 1HD1 ILE 19 1HD1 ILE 19 22.467 5.997 10.222 152 2HD1 ILE 19 3HD1 ILE 19 21.574 5.620 11.695 153 3HD1 ILE 19 2HD1 ILE 19 20.825 5.357 10.120 154 H ARG 20 H ARG 20 23.706 8.409 6.862 155 HA ARG 20 HA ARG 20 23.587 11.387 6.827 156 1HB ARG 20 2HB ARG 20 26.020 9.769 6.002 157 2HB ARG 20 1HB ARG 20 25.851 11.518 5.864 158 1HG ARG 20 2HG ARG 20 25.287 10.525 8.571 159 2HG ARG 20 1HG ARG 20 26.926 10.168 8.036 160 1HD ARG 20 2HD ARG 20 25.609 12.901 8.057 161 2HD ARG 20 1HD ARG 20 26.884 12.347 9.140 162 HE ARG 20 HE ARG 20 27.855 11.992 6.505 163 1HH1 ARG 20 1HH1 ARG 20 29.126 13.492 5.496 164 2HH1 ARG 20 2HH1 ARG 20 29.081 15.149 6.013 165 1HH2 ARG 20 1HH2 ARG 20 26.747 14.567 8.492 166 2HH2 ARG 20 2HH2 ARG 20 27.758 15.746 7.739 167 H TYR 21 H TYR 21 24.596 11.883 4.323 168 HA TYR 21 HA TYR 21 22.841 10.215 2.547 169 1HB TYR 21 2HB TYR 21 23.598 13.147 2.294 170 2HB TYR 21 1HB TYR 21 22.569 12.257 1.172 171 HD1 TYR 21 HD1 TYR 21 22.878 13.191 4.775 172 HD2 TYR 21 HD2 TYR 21 20.253 12.111 1.562 173 HE1 TYR 21 HE1 TYR 21 20.924 13.664 6.210 174 HE2 TYR 21 HE2 TYR 21 18.293 12.601 3.000 175 HH TYR 21 HH TYR 21 18.198 12.668 6.009 176 H PHE 22 H PHE 22 23.736 9.486 0.586 177 HA PHE 22 HA PHE 22 26.535 10.338 0.016 178 1HB PHE 22 2HB PHE 22 27.343 8.165 -0.163 179 2HB PHE 22 1HB PHE 22 26.207 7.998 1.171 180 HD1 PHE 22 HD1 PHE 22 27.113 6.821 -2.071 181 HD2 PHE 22 HD2 PHE 22 23.772 7.335 0.568 182 HE1 PHE 22 HE1 PHE 22 25.839 5.129 -3.362 183 HE2 PHE 22 HE2 PHE 22 22.493 5.647 -0.719 184 HZ PHE 22 HZ PHE 22 23.526 4.544 -2.688 185 H TYR 23 H TYR 23 27.141 9.295 -2.278 186 HA TYR 23 HA TYR 23 24.926 10.111 -4.117 187 1HB TYR 23 2HB TYR 23 26.936 11.439 -4.365 188 2HB TYR 23 1HB TYR 23 27.931 9.990 -4.469 189 HD1 TYR 23 HD1 TYR 23 28.517 9.206 -6.574 190 HD2 TYR 23 HD2 TYR 23 24.950 11.543 -6.138 191 HE1 TYR 23 HE1 TYR 23 28.197 9.166 -9.028 192 HE2 TYR 23 HE2 TYR 23 24.628 11.507 -8.595 193 HH TYR 23 HH TYR 23 25.885 9.449 -10.578 194 H ASN 24 H ASN 24 23.868 8.424 -5.077 195 HA ASN 24 HA ASN 24 25.151 5.770 -5.205 196 1HB ASN 24 2HB ASN 24 22.756 6.075 -4.515 197 2HB ASN 24 1HB ASN 24 22.397 6.620 -6.150 198 1HD2 ASN 24 1HD2 ASN 24 21.198 4.264 -5.021 199 2HD2 ASN 24 2HD2 ASN 24 21.772 2.924 -5.898 200 H ALA 25 H ALA 25 26.790 6.195 -6.805 201 HA ALA 25 HA ALA 25 26.216 7.285 -9.402 202 1HB ALA 25 2HB ALA 25 28.494 7.157 -8.447 203 2HB ALA 25 3HB ALA 25 28.414 6.398 -10.033 204 3HB ALA 25 1HB ALA 25 28.441 5.403 -8.575 205 H LYS 26 H LYS 26 25.371 4.276 -8.049 206 HA LYS 26 HA LYS 26 25.606 2.637 -10.416 207 1HB LYS 26 2HB LYS 26 24.989 2.166 -7.765 208 2HB LYS 26 1HB LYS 26 23.431 1.927 -8.562 209 1HG LYS 26 2HG LYS 26 25.937 0.690 -9.690 210 2HG LYS 26 1HG LYS 26 25.058 -0.098 -8.379 211 1HD LYS 26 2HD LYS 26 22.974 0.073 -9.781 212 2HD LYS 26 1HD LYS 26 23.984 0.645 -11.110 213 1HE LYS 26 2HE LYS 26 25.300 -1.421 -11.033 214 2HE LYS 26 1HE LYS 26 24.339 -1.998 -9.665 215 1HZ LYS 26 3HZ LYS 26 23.161 -1.257 -12.290 216 2HZ LYS 26 2HZ LYS 26 23.608 -2.848 -11.892 217 3HZ LYS 26 1HZ LYS 26 22.393 -2.055 -11.005 218 H ALA 27 H ALA 27 23.252 4.975 -9.330 219 HA ALA 27 HA ALA 27 21.607 4.326 -11.741 220 1HB ALA 27 3HB ALA 27 20.314 3.687 -9.791 221 2HB ALA 27 1HB ALA 27 19.621 5.162 -10.460 222 3HB ALA 27 2HB ALA 27 20.636 5.240 -9.020 223 H GLY 28 H GLY 28 23.359 6.697 -9.977 224 1HA GLY 28 1HA GLY 28 22.716 8.706 -12.058 225 2HA GLY 28 2HA GLY 28 24.007 8.822 -10.865 226 H LEU 29 H LEU 29 22.405 8.301 -8.544 227 HA LEU 29 HA LEU 29 21.124 10.958 -8.292 228 1HB LEU 29 2HB LEU 29 19.550 8.760 -8.915 229 2HB LEU 29 1HB LEU 29 19.437 8.831 -7.155 230 HG LEU 29 HG LEU 29 19.001 11.378 -7.509 231 1HD1 LEU 29 1HD1 LEU 29 18.830 10.255 -10.271 232 2HD1 LEU 29 3HD1 LEU 29 17.636 11.465 -9.803 233 3HD1 LEU 29 2HD1 LEU 29 19.354 11.852 -9.738 234 1HD2 LEU 29 1HD2 LEU 29 17.172 9.057 -7.899 235 2HD2 LEU 29 3HD2 LEU 29 17.137 10.325 -6.672 236 3HD2 LEU 29 2HD2 LEU 29 16.531 10.650 -8.295 237 H CYS 30 H CYS 30 20.903 11.585 -6.054 238 HA CYS 30 HA CYS 30 22.833 10.259 -4.285 239 1HB CYS 30 2HB CYS 30 21.008 12.637 -3.878 240 2HB CYS 30 1HB CYS 30 22.151 12.055 -2.667 241 H GLN 31 H GLN 31 22.255 9.447 -2.148 242 HA GLN 31 HA GLN 31 19.406 8.873 -1.618 243 1HB GLN 31 2HB GLN 31 21.339 6.856 -2.640 244 2HB GLN 31 1HB GLN 31 20.354 6.351 -1.268 245 1HG GLN 31 2HG GLN 31 18.453 6.251 -2.518 246 2HG GLN 31 1HG GLN 31 18.824 7.753 -3.364 247 1HE2 GLN 31 1HE2 GLN 31 19.564 7.550 -5.495 248 2HE2 GLN 31 2HE2 GLN 31 20.082 6.097 -6.200 249 H THR 32 H THR 32 19.232 7.666 0.529 250 HA THR 32 HA THR 32 21.137 8.854 2.433 251 HB THR 32 HB THR 32 19.572 7.853 4.134 252 HG1 THR 32 HG1 THR 32 17.780 6.788 3.379 253 1HG2 THR 32 1HG2 THR 32 19.223 10.138 3.042 254 2HG2 THR 32 3HG2 THR 32 18.056 9.346 1.980 255 3HG2 THR 32 2HG2 THR 32 17.775 9.387 3.722 256 H PHE 33 H PHE 33 22.112 7.487 4.159 257 HA PHE 33 HA PHE 33 22.277 4.612 3.748 258 1HB PHE 33 2HB PHE 33 24.440 4.377 2.898 259 2HB PHE 33 1HB PHE 33 23.838 5.756 1.989 260 HD1 PHE 33 HD1 PHE 33 26.484 4.555 4.005 261 HD2 PHE 33 HD2 PHE 33 24.273 8.121 3.099 262 HE1 PHE 33 HE1 PHE 33 28.365 5.932 4.846 263 HE2 PHE 33 HE2 PHE 33 26.150 9.501 3.945 264 HZ PHE 33 HZ PHE 33 28.194 8.409 4.821 265 H VAL 34 H VAL 34 24.287 3.798 5.232 266 HA VAL 34 HA VAL 34 24.058 5.352 7.776 267 HB VAL 34 HB VAL 34 24.317 2.374 7.300 268 1HG1 VAL 34 3HG1 VAL 34 24.395 3.994 9.866 269 2HG1 VAL 34 2HG1 VAL 34 24.122 2.254 9.820 270 3HG1 VAL 34 1HG1 VAL 34 25.651 2.920 9.249 271 1HG2 VAL 34 3HG2 VAL 34 22.113 4.248 8.048 272 2HG2 VAL 34 2HG2 VAL 34 22.041 2.748 7.125 273 3HG2 VAL 34 1HG2 VAL 34 22.149 2.694 8.885 274 H TYR 35 H TYR 35 25.921 6.089 8.633 275 HA TYR 35 HA TYR 35 28.489 5.099 7.478 276 1HB TYR 35 2HB TYR 35 28.178 7.483 7.201 277 2HB TYR 35 1HB TYR 35 27.765 7.672 8.903 278 HD1 TYR 35 HD1 TYR 35 30.505 5.578 7.452 279 HD2 TYR 35 HD2 TYR 35 29.480 9.108 9.671 280 HE1 TYR 35 HE1 TYR 35 32.895 5.931 7.995 281 HE2 TYR 35 HE2 TYR 35 31.874 9.461 10.209 282 HH TYR 35 HH TYR 35 33.911 8.435 10.254 283 H GLY 36 H GLY 36 29.757 3.848 8.737 284 1HA GLY 36 1HA GLY 36 30.649 2.823 10.639 285 2HA GLY 36 2HA GLY 36 29.045 2.996 11.344 286 H GLY 37 H GLY 37 31.122 5.668 10.300 287 1HA GLY 37 1HA GLY 37 31.396 6.458 13.175 288 2HA GLY 37 2HA GLY 37 31.050 7.633 11.911 289 H CYS 38 H CYS 38 33.292 5.027 11.239 290 HA CYS 38 HA CYS 38 35.512 7.048 11.295 291 1HB CYS 38 2HB CYS 38 37.030 5.306 12.133 292 2HB CYS 38 1HB CYS 38 35.678 5.539 13.245 293 H ARG 39 H ARG 39 37.266 6.626 9.835 294 HA ARG 39 HA ARG 39 38.170 6.078 7.760 295 1HB ARG 39 2HB ARG 39 36.785 3.520 8.547 296 2HB ARG 39 1HB ARG 39 37.620 3.658 7.003 297 1HG ARG 39 2HG ARG 39 39.482 4.711 8.719 298 2HG ARG 39 1HG ARG 39 38.734 3.473 9.728 299 1HD ARG 39 2HD ARG 39 39.250 1.747 8.184 300 2HD ARG 39 1HD ARG 39 39.627 2.900 6.900 301 HE ARG 39 HE ARG 39 41.424 3.488 8.969 302 1HH1 ARG 39 1HH1 ARG 39 43.454 2.570 9.106 303 2HH1 ARG 39 2HH1 ARG 39 43.771 1.074 8.302 304 1HH2 ARG 39 1HH2 ARG 39 40.583 0.791 7.025 305 2HH2 ARG 39 2HH2 ARG 39 42.148 0.066 7.129 306 H ALA 40 H ALA 40 36.028 7.722 7.450 307 HA ALA 40 HA ALA 40 34.015 6.585 5.664 308 1HB ALA 40 2HB ALA 40 33.841 8.679 7.211 309 2HB ALA 40 1HB ALA 40 34.627 9.530 5.882 310 3HB ALA 40 3HB ALA 40 33.070 8.738 5.628 311 H LYS 41 H LYS 41 33.757 8.132 3.521 312 HA LYS 41 HA LYS 41 36.393 8.262 2.123 313 1HB LYS 41 2HB LYS 41 33.881 7.053 0.927 314 2HB LYS 41 1HB LYS 41 35.478 7.120 0.180 315 1HG LYS 41 2HG LYS 41 34.853 5.653 2.766 316 2HG LYS 41 1HG LYS 41 34.957 4.881 1.182 317 1HD LYS 41 2HD LYS 41 37.271 5.306 0.991 318 2HD LYS 41 1HD LYS 41 37.243 6.543 2.245 319 1HE LYS 41 2HE LYS 41 36.389 3.800 3.034 320 2HE LYS 41 1HE LYS 41 38.106 4.043 2.726 321 1HZ LYS 41 1HZ LYS 41 37.132 6.215 4.254 322 2HZ LYS 41 3HZ LYS 41 36.647 4.759 5.025 323 3HZ LYS 41 2HZ LYS 41 38.301 5.044 4.680 324 H ARG 42 H ARG 42 35.598 9.149 -0.356 325 HA ARG 42 HA ARG 42 34.790 11.881 0.220 326 1HB ARG 42 2HB ARG 42 35.139 10.449 -2.432 327 2HB ARG 42 1HB ARG 42 34.876 12.179 -2.253 328 1HG ARG 42 2HG ARG 42 36.954 12.002 -0.615 329 2HG ARG 42 1HG ARG 42 37.297 10.551 -1.560 330 1HD ARG 42 2HD ARG 42 37.152 11.903 -3.641 331 2HD ARG 42 1HD ARG 42 36.895 13.351 -2.665 332 HE ARG 42 HE ARG 42 39.262 12.225 -1.682 333 1HH1 ARG 42 1HH1 ARG 42 41.286 12.761 -2.474 334 2HH1 ARG 42 2HH1 ARG 42 41.433 13.435 -4.059 335 1HH2 ARG 42 1HH2 ARG 42 38.053 13.365 -4.711 336 2HH2 ARG 42 2HH2 ARG 42 39.615 13.768 -5.320 337 H ASN 43 H ASN 43 33.229 9.051 -1.253 338 HA ASN 43 HA ASN 43 30.768 10.360 -1.979 339 1HB ASN 43 2HB ASN 43 31.714 7.940 -2.522 340 2HB ASN 43 1HB ASN 43 30.836 7.500 -1.062 341 1HD2 ASN 43 1HD2 ASN 43 30.240 6.731 -3.875 342 2HD2 ASN 43 2HD2 ASN 43 28.651 7.294 -4.176 343 H ASN 44 H ASN 44 31.021 11.652 0.187 344 HA ASN 44 HA ASN 44 29.088 10.465 2.127 345 1HB ASN 44 2HB ASN 44 31.519 10.100 2.880 346 2HB ASN 44 1HB ASN 44 31.620 11.849 3.049 347 1HD2 ASN 44 1HD2 ASN 44 30.867 9.026 4.752 348 2HD2 ASN 44 2HD2 ASN 44 29.958 9.735 6.003 349 H PHE 45 H PHE 45 27.598 11.981 2.759 350 HA PHE 45 HA PHE 45 28.291 14.864 2.598 351 1HB PHE 45 2HB PHE 45 25.898 13.612 1.214 352 2HB PHE 45 1HB PHE 45 26.218 15.343 1.313 353 HD1 PHE 45 HD1 PHE 45 27.158 12.191 -0.282 354 HD2 PHE 45 HD2 PHE 45 28.197 16.331 0.199 355 HE1 PHE 45 HE1 PHE 45 28.695 12.026 -2.223 356 HE2 PHE 45 HE2 PHE 45 29.732 16.169 -1.740 357 HZ PHE 45 HZ PHE 45 29.984 14.018 -2.949 358 H LYS 46 H LYS 46 26.323 16.176 3.553 359 HA LYS 46 HA LYS 46 25.371 14.646 5.943 360 1HB LYS 46 2HB LYS 46 25.586 16.571 7.228 361 2HB LYS 46 1HB LYS 46 26.828 16.867 6.029 362 1HG LYS 46 2HG LYS 46 25.083 18.100 4.669 363 2HG LYS 46 1HG LYS 46 24.041 18.003 6.093 364 1HD LYS 46 2HD LYS 46 25.060 20.016 6.559 365 2HD LYS 46 1HD LYS 46 26.255 18.943 7.287 366 1HE LYS 46 2HE LYS 46 26.691 19.316 4.419 367 2HE LYS 46 1HE LYS 46 26.761 20.834 5.313 368 1HZ LYS 46 3HZ LYS 46 28.320 19.730 6.866 369 2HZ LYS 46 2HZ LYS 46 28.322 18.364 5.853 370 3HZ LYS 46 1HZ LYS 46 28.917 19.848 5.282 371 H SER 47 H SER 47 24.237 16.315 3.098 372 HA SER 47 HA SER 47 21.438 15.735 3.970 373 1HB SER 47 2HB SER 47 20.652 17.881 3.552 374 2HB SER 47 1HB SER 47 22.261 18.261 4.161 375 HG SER 47 HG SER 47 22.727 19.071 2.276 376 H ALA 48 H ALA 48 19.928 15.617 2.139 377 HA ALA 48 HA ALA 48 21.004 14.166 -0.105 378 1HB ALA 48 3HB ALA 48 18.755 13.649 0.414 379 2HB ALA 48 2HB ALA 48 18.306 15.346 0.564 380 3HB ALA 48 1HB ALA 48 18.606 14.651 -1.028 381 H GLU 49 H GLU 49 19.884 17.475 0.404 382 HA GLU 49 HA GLU 49 20.201 18.378 -2.298 383 1HB GLU 49 2HB GLU 49 20.399 19.919 0.318 384 2HB GLU 49 1HB GLU 49 20.207 20.645 -1.276 385 1HG GLU 49 2HG GLU 49 18.015 20.525 -0.205 386 2HG GLU 49 1HG GLU 49 18.054 19.384 -1.550 387 H ASP 50 H ASP 50 22.392 18.230 0.509 388 HA ASP 50 HA ASP 50 24.605 19.617 -0.599 389 1HB ASP 50 2HB ASP 50 24.283 17.474 1.459 390 2HB ASP 50 1HB ASP 50 25.908 17.856 0.895 391 H CYS 51 H CYS 51 23.957 16.112 -0.617 392 HA CYS 51 HA CYS 51 26.163 15.401 -2.289 393 1HB CYS 51 2HB CYS 51 25.048 13.677 -1.055 394 2HB CYS 51 1HB CYS 51 23.490 14.083 -1.769 395 H MET 52 H MET 52 22.787 16.217 -3.104 396 HA MET 52 HA MET 52 23.024 15.664 -5.911 397 1HB MET 52 2HB MET 52 21.143 17.381 -4.290 398 2HB MET 52 1HB MET 52 20.981 17.194 -6.037 399 1HG MET 52 2HG MET 52 21.040 14.892 -4.060 400 2HG MET 52 1HG MET 52 19.574 15.569 -4.769 401 1HE MET 52 3HE MET 52 18.472 14.549 -6.440 402 2HE MET 52 2HE MET 52 19.239 15.773 -7.456 403 3HE MET 52 1HE MET 52 19.123 14.105 -8.026 404 H ARG 53 H ARG 53 23.278 18.734 -4.099 405 HA ARG 53 HA ARG 53 23.805 20.321 -6.462 406 1HB ARG 53 2HB ARG 53 23.009 21.698 -4.825 407 2HB ARG 53 1HB ARG 53 23.692 20.734 -3.523 408 1HG ARG 53 2HG ARG 53 25.580 22.283 -5.270 409 2HG ARG 53 1HG ARG 53 24.632 23.159 -4.072 410 1HD ARG 53 2HD ARG 53 26.143 20.671 -3.313 411 2HD ARG 53 1HD ARG 53 26.943 22.241 -3.326 412 HE ARG 53 HE ARG 53 24.680 22.678 -1.815 413 1HH1 ARG 53 1HH1 ARG 53 24.590 22.369 0.400 414 2HH1 ARG 53 2HH1 ARG 53 25.652 21.209 1.152 415 1HH2 ARG 53 1HH2 ARG 53 27.224 20.322 -1.798 416 2HH2 ARG 53 2HH2 ARG 53 27.129 20.107 -0.069 417 H THR 54 H THR 54 25.898 18.451 -4.341 418 HA THR 54 HA THR 54 28.276 19.817 -5.493 419 HB THR 54 HB THR 54 28.563 17.669 -3.437 420 HG1 THR 54 HG1 THR 54 26.845 18.773 -2.554 421 1HG2 THR 54 3HG2 THR 54 29.793 20.407 -3.855 422 2HG2 THR 54 2HG2 THR 54 30.266 19.263 -2.602 423 3HG2 THR 54 1HG2 THR 54 30.526 18.864 -4.300 424 H CYS 55 H CYS 55 27.457 16.378 -4.775 425 HA CYS 55 HA CYS 55 29.328 15.509 -6.849 426 1HB CYS 55 2HB CYS 55 29.133 14.073 -4.942 427 2HB CYS 55 1HB CYS 55 27.377 14.026 -5.077 428 H GLY 56 H GLY 56 25.802 15.347 -6.402 429 1HA GLY 56 1HA GLY 56 24.087 15.217 -7.993 430 2HA GLY 56 2HA GLY 56 25.176 14.161 -8.890 431 H GLY 57 H GLY 57 24.298 17.544 -8.334 432 1HA GLY 57 1HA GLY 57 25.998 18.653 -10.399 433 2HA GLY 57 2HA GLY 57 24.593 19.458 -9.686 434 H ALA 58 H ALA 58 24.896 16.433 -11.511 435 HA ALA 58 HA ALA 58 22.491 16.911 -13.036 436 1HB ALA 58 1HB ALA 58 25.151 17.286 -14.429 437 2HB ALA 58 3HB ALA 58 23.633 17.004 -15.281 438 3HB ALA 58 2HB ALA 58 23.838 18.457 -14.304 No H/Q in entry = 438 Start of MODEL 3 1 H1 ARG 1 1H ARG 1 29.081 15.348 -11.553 2 H2 ARG 1 3H ARG 1 27.550 14.607 -11.481 3 H3 ARG 1 2H ARG 1 28.150 15.431 -10.119 4 HA ARG 1 HA ARG 1 28.938 13.527 -9.383 5 1HB ARG 1 2HB ARG 1 28.851 11.465 -10.821 6 2HB ARG 1 1HB ARG 1 27.315 12.317 -10.696 7 1HG ARG 1 2HG ARG 1 27.747 13.418 -12.871 8 2HG ARG 1 1HG ARG 1 29.277 12.560 -12.998 9 1HD ARG 1 2HD ARG 1 28.263 10.720 -13.781 10 2HD ARG 1 1HD ARG 1 27.136 10.692 -12.430 11 HE ARG 1 HE ARG 1 26.511 11.472 -15.097 12 1HH1 ARG 1 1HH1 ARG 1 24.880 12.882 -15.655 13 2HH1 ARG 1 2HH1 ARG 1 24.105 13.858 -14.433 14 1HH2 ARG 1 1HH2 ARG 1 26.002 12.570 -11.873 15 2HH2 ARG 1 2HH2 ARG 1 24.721 13.677 -12.323 16 HA PRO 2 HA PRO 2 32.977 14.631 -11.567 17 1HB PRO 2 2HB PRO 2 33.752 15.642 -8.900 18 2HB PRO 2 1HB PRO 2 33.841 16.446 -10.479 19 1HG PRO 2 2HG PRO 2 32.065 17.184 -8.621 20 2HG PRO 2 1HG PRO 2 31.686 17.232 -10.352 21 1HD PRO 2 1HD PRO 2 30.876 15.172 -8.309 22 2HD PRO 2 2HD PRO 2 29.912 15.901 -9.613 23 H ASP 3 H ASP 3 35.187 14.464 -9.565 24 HA ASP 3 HA ASP 3 35.713 11.669 -9.709 25 1HB ASP 3 2HB ASP 3 37.560 12.185 -8.053 26 2HB ASP 3 1HB ASP 3 37.562 13.189 -9.500 27 H PHE 4 H PHE 4 34.931 13.605 -6.784 28 HA PHE 4 HA PHE 4 34.593 11.301 -5.099 29 1HB PHE 4 2HB PHE 4 33.253 12.971 -3.645 30 2HB PHE 4 1HB PHE 4 34.943 13.351 -3.965 31 HD1 PHE 4 HD1 PHE 4 31.455 14.244 -4.719 32 HD2 PHE 4 HD2 PHE 4 35.574 15.175 -5.478 33 HE1 PHE 4 HE1 PHE 4 30.778 16.420 -5.699 34 HE2 PHE 4 HE2 PHE 4 34.901 17.340 -6.471 35 HZ PHE 4 HZ PHE 4 32.504 17.966 -6.577 36 H CYS 5 H CYS 5 33.296 10.571 -7.335 37 HA CYS 5 HA CYS 5 30.496 10.289 -6.384 38 1HB CYS 5 2HB CYS 5 31.231 11.334 -9.134 39 2HB CYS 5 1HB CYS 5 29.611 10.856 -8.638 40 H LEU 6 H LEU 6 33.198 8.795 -7.299 41 HA LEU 6 HA LEU 6 31.801 6.686 -8.910 42 1HB LEU 6 2HB LEU 6 34.722 7.430 -8.664 43 2HB LEU 6 1HB LEU 6 34.159 5.972 -9.484 44 HG LEU 6 HG LEU 6 32.622 8.238 -10.390 45 1HD1 LEU 6 1HD1 LEU 6 35.628 8.516 -10.420 46 2HD1 LEU 6 3HD1 LEU 6 34.606 9.307 -11.620 47 3HD1 LEU 6 2HD1 LEU 6 34.426 9.704 -9.911 48 1HD2 LEU 6 1HD2 LEU 6 32.972 6.066 -11.559 49 2HD2 LEU 6 3HD2 LEU 6 33.388 7.449 -12.572 50 3HD2 LEU 6 2HD2 LEU 6 34.664 6.500 -11.808 51 H GLU 7 H GLU 7 34.119 7.077 -6.180 52 HA GLU 7 HA GLU 7 34.307 4.340 -5.490 53 1HB GLU 7 2HB GLU 7 34.525 5.474 -3.049 54 2HB GLU 7 1HB GLU 7 35.821 5.528 -4.238 55 1HG GLU 7 2HG GLU 7 35.536 7.766 -4.645 56 2HG GLU 7 1HG GLU 7 33.788 7.680 -4.460 57 HA PRO 8 HA PRO 8 30.079 3.532 -4.341 58 1HB PRO 8 2HB PRO 8 30.523 1.071 -3.171 59 2HB PRO 8 1HB PRO 8 30.397 1.334 -4.922 60 1HG PRO 8 2HG PRO 8 32.819 1.012 -3.225 61 2HG PRO 8 1HG PRO 8 32.493 0.403 -4.858 62 1HD PRO 8 1HD PRO 8 34.062 2.586 -4.397 63 2HD PRO 8 2HD PRO 8 33.080 2.409 -5.871 64 HA PRO 9 HA PRO 9 29.314 4.820 -0.193 65 1HB PRO 9 2HB PRO 9 27.855 2.357 0.460 66 2HB PRO 9 1HB PRO 9 27.258 4.018 0.352 67 1HG PRO 9 2HG PRO 9 26.928 1.927 -1.518 68 2HG PRO 9 1HG PRO 9 26.411 3.599 -1.676 69 1HD PRO 9 1HD PRO 9 28.438 2.330 -3.184 70 2HD PRO 9 2HD PRO 9 28.072 4.065 -3.155 71 H TYR 10 H TYR 10 30.398 4.590 1.788 72 HA TYR 10 HA TYR 10 31.643 1.945 2.391 73 1HB TYR 10 2HB TYR 10 33.245 3.656 1.362 74 2HB TYR 10 1HB TYR 10 33.038 4.591 2.840 75 HD1 TYR 10 HD1 TYR 10 34.335 1.440 1.407 76 HD2 TYR 10 HD2 TYR 10 33.969 3.853 4.949 77 HE1 TYR 10 HE1 TYR 10 36.050 0.049 2.537 78 HE2 TYR 10 HE2 TYR 10 35.685 2.455 6.072 79 HH TYR 10 HH TYR 10 36.739 -0.527 4.797 80 H THR 11 H THR 11 30.599 1.337 4.229 81 HA THR 11 HA THR 11 29.594 3.309 6.145 82 HB THR 11 HB THR 11 29.590 0.281 6.057 83 HG1 THR 11 HG1 THR 11 27.498 2.206 6.114 84 1HG2 THR 11 1HG2 THR 11 29.860 1.103 8.417 85 2HG2 THR 11 3HG2 THR 11 28.372 2.031 8.214 86 3HG2 THR 11 2HG2 THR 11 28.335 0.270 8.130 87 H GLY 12 H GLY 12 32.191 0.857 6.054 88 1HA GLY 12 1HA GLY 12 33.576 2.392 8.196 89 2HA GLY 12 2HA GLY 12 34.328 1.206 7.136 90 HA PRO 13 HA PRO 13 34.089 -1.960 10.170 91 1HB PRO 13 2HB PRO 13 35.963 -1.135 12.051 92 2HB PRO 13 1HB PRO 13 36.343 -1.955 10.524 93 1HG PRO 13 2HG PRO 13 36.503 0.924 11.220 94 2HG PRO 13 1HG PRO 13 37.539 -0.046 10.159 95 1HD PRO 13 1HD PRO 13 35.653 1.681 9.196 96 2HD PRO 13 2HD PRO 13 36.137 0.208 8.332 97 H CYS 14 H CYS 14 34.110 1.275 11.721 98 HA CYS 14 HA CYS 14 32.972 0.444 14.211 99 1HB CYS 14 2HB CYS 14 32.592 3.118 12.826 100 2HB CYS 14 1HB CYS 14 32.393 2.795 14.547 101 H LYS 15 H LYS 15 30.703 0.917 14.933 102 HA LYS 15 HA LYS 15 28.725 0.762 12.723 103 1HB LYS 15 2HB LYS 15 28.777 -1.062 15.146 104 2HB LYS 15 1HB LYS 15 27.498 -1.022 13.931 105 1HG LYS 15 2HG LYS 15 30.402 -1.543 13.232 106 2HG LYS 15 1HG LYS 15 29.260 -2.838 13.597 107 1HD LYS 15 2HD LYS 15 27.952 -2.402 11.695 108 2HD LYS 15 1HD LYS 15 28.560 -0.757 11.532 109 1HE LYS 15 2HE LYS 15 30.192 -3.273 11.058 110 2HE LYS 15 1HE LYS 15 29.503 -2.252 9.793 111 1HZ LYS 15 3HZ LYS 15 30.793 -0.425 11.252 112 2HZ LYS 15 2HZ LYS 15 31.806 -1.775 11.528 113 3HZ LYS 15 1HZ LYS 15 31.510 -1.222 9.929 114 H ALA 16 H ALA 16 28.972 3.125 13.752 115 HA ALA 16 HA ALA 16 27.244 3.438 16.129 116 1HB ALA 16 1HB ALA 16 29.395 4.769 15.704 117 2HB ALA 16 3HB ALA 16 28.487 5.638 14.472 118 3HB ALA 16 2HB ALA 16 27.974 5.707 16.158 119 H ARG 17 H ARG 17 25.211 4.360 16.022 120 HA ARG 17 HA ARG 17 23.726 4.067 13.584 121 1HB ARG 17 2HB ARG 17 23.118 5.028 16.349 122 2HB ARG 17 1HB ARG 17 22.017 5.530 15.069 123 1HG ARG 17 2HG ARG 17 21.030 3.528 15.561 124 2HG ARG 17 1HG ARG 17 22.231 2.932 14.420 125 1HD ARG 17 2HD ARG 17 23.771 2.741 16.513 126 2HD ARG 17 1HD ARG 17 22.272 2.815 17.435 127 HE ARG 17 HE ARG 17 23.294 0.509 16.114 128 1HH1 ARG 17 1HH1 ARG 17 22.042 -1.192 15.413 129 2HH1 ARG 17 2HH1 ARG 17 20.331 -0.996 15.275 130 1HH2 ARG 17 1HH2 ARG 17 20.354 2.268 16.356 131 2HH2 ARG 17 2HH2 ARG 17 19.380 0.958 15.798 132 H ILE 18 H ILE 18 25.569 5.621 12.566 133 HA ILE 18 HA ILE 18 24.544 8.422 12.667 134 HB ILE 18 HB ILE 18 27.147 7.321 11.571 135 1HG1 ILE 18 2HG1 ILE 18 26.462 8.932 14.056 136 2HG1 ILE 18 1HG1 ILE 18 27.121 7.298 14.004 137 1HG2 ILE 18 2HG2 ILE 18 26.092 10.161 11.776 138 2HG2 ILE 18 1HG2 ILE 18 27.758 9.745 11.374 139 3HG2 ILE 18 3HG2 ILE 18 26.449 9.275 10.292 140 1HD1 ILE 18 2HD1 ILE 18 29.063 8.424 12.637 141 2HD1 ILE 18 1HD1 ILE 18 28.484 9.905 13.400 142 3HD1 ILE 18 3HD1 ILE 18 29.043 8.559 14.395 143 H ILE 19 H ILE 19 22.758 8.223 11.292 144 HA ILE 19 HA ILE 19 22.998 7.005 8.641 145 HB ILE 19 HB ILE 19 20.780 8.914 9.295 146 1HG1 ILE 19 2HG1 ILE 19 21.179 7.577 11.391 147 2HG1 ILE 19 1HG1 ILE 19 19.616 7.260 10.643 148 1HG2 ILE 19 2HG2 ILE 19 21.162 6.323 7.809 149 2HG2 ILE 19 1HG2 ILE 19 19.547 6.891 8.233 150 3HG2 ILE 19 3HG2 ILE 19 20.585 7.865 7.192 151 1HD1 ILE 19 3HD1 ILE 19 22.070 5.551 10.142 152 2HD1 ILE 19 2HD1 ILE 19 20.860 5.178 11.367 153 3HD1 ILE 19 1HD1 ILE 19 20.407 5.202 9.665 154 H ARG 20 H ARG 20 23.539 8.068 6.760 155 HA ARG 20 HA ARG 20 23.589 11.039 6.742 156 1HB ARG 20 2HB ARG 20 25.947 9.324 5.904 157 2HB ARG 20 1HB ARG 20 25.858 11.080 5.795 158 1HG ARG 20 2HG ARG 20 25.322 9.933 8.482 159 2HG ARG 20 1HG ARG 20 26.972 9.755 7.896 160 1HD ARG 20 2HD ARG 20 25.429 12.357 8.112 161 2HD ARG 20 1HD ARG 20 26.753 11.842 9.155 162 HE ARG 20 HE ARG 20 27.754 11.734 6.521 163 1HH1 ARG 20 1HH1 ARG 20 28.896 13.383 5.609 164 2HH1 ARG 20 2HH1 ARG 20 28.693 15.003 6.195 165 1HH2 ARG 20 1HH2 ARG 20 26.372 14.107 8.590 166 2HH2 ARG 20 2HH2 ARG 20 27.286 15.404 7.913 167 H TYR 21 H TYR 21 24.492 11.619 4.320 168 HA TYR 21 HA TYR 21 22.811 9.993 2.444 169 1HB TYR 21 2HB TYR 21 23.528 12.941 2.338 170 2HB TYR 21 1HB TYR 21 22.557 12.088 1.141 171 HD1 TYR 21 HD1 TYR 21 22.714 12.845 4.795 172 HD2 TYR 21 HD2 TYR 21 20.236 11.916 1.424 173 HE1 TYR 21 HE1 TYR 21 20.699 13.222 6.173 174 HE2 TYR 21 HE2 TYR 21 18.215 12.306 2.804 175 HH TYR 21 HH TYR 21 17.966 12.172 5.747 176 H PHE 22 H PHE 22 23.703 9.500 0.386 177 HA PHE 22 HA PHE 22 26.502 10.383 -0.103 178 1HB PHE 22 2HB PHE 22 27.375 8.224 -0.333 179 2HB PHE 22 1HB PHE 22 26.279 8.039 1.030 180 HD1 PHE 22 HD1 PHE 22 27.099 6.909 -2.265 181 HD2 PHE 22 HD2 PHE 22 23.867 7.260 0.540 182 HE1 PHE 22 HE1 PHE 22 25.825 5.190 -3.526 183 HE2 PHE 22 HE2 PHE 22 22.587 5.546 -0.720 184 HZ PHE 22 HZ PHE 22 23.565 4.515 -2.756 185 H TYR 23 H TYR 23 27.148 9.369 -2.408 186 HA TYR 23 HA TYR 23 24.918 10.132 -4.249 187 1HB TYR 23 2HB TYR 23 26.907 11.509 -4.467 188 2HB TYR 23 1HB TYR 23 27.926 10.079 -4.613 189 HD1 TYR 23 HD1 TYR 23 28.511 9.363 -6.744 190 HD2 TYR 23 HD2 TYR 23 24.900 11.615 -6.220 191 HE1 TYR 23 HE1 TYR 23 28.167 9.384 -9.196 192 HE2 TYR 23 HE2 TYR 23 24.557 11.630 -8.675 193 HH TYR 23 HH TYR 23 25.781 9.659 -10.697 194 H ASN 24 H ASN 24 23.907 8.435 -5.237 195 HA ASN 24 HA ASN 24 25.266 5.815 -5.381 196 1HB ASN 24 2HB ASN 24 22.870 6.032 -4.662 197 2HB ASN 24 1HB ASN 24 22.475 6.575 -6.289 198 1HD2 ASN 24 1HD2 ASN 24 21.355 4.179 -5.192 199 2HD2 ASN 24 2HD2 ASN 24 21.977 2.862 -6.071 200 H ALA 25 H ALA 25 26.867 6.321 -7.000 201 HA ALA 25 HA ALA 25 26.206 7.401 -9.581 202 1HB ALA 25 3HB ALA 25 28.424 6.363 -10.242 203 2HB ALA 25 2HB ALA 25 28.490 7.455 -8.860 204 3HB ALA 25 1HB ALA 25 28.516 5.714 -8.604 205 H LYS 26 H LYS 26 25.572 4.329 -8.215 206 HA LYS 26 HA LYS 26 25.801 2.721 -10.586 207 1HB LYS 26 2HB LYS 26 25.246 2.249 -7.915 208 2HB LYS 26 1HB LYS 26 23.707 1.900 -8.704 209 1HG LYS 26 2HG LYS 26 26.290 0.825 -9.817 210 2HG LYS 26 1HG LYS 26 25.453 -0.015 -8.512 211 1HD LYS 26 2HD LYS 26 23.385 -0.036 -9.924 212 2HD LYS 26 1HD LYS 26 24.314 0.669 -11.240 213 1HE LYS 26 2HE LYS 26 25.877 -1.288 -11.102 214 2HE LYS 26 1HE LYS 26 24.774 -2.020 -9.931 215 1HZ LYS 26 3HZ LYS 26 22.995 -1.630 -11.686 216 2HZ LYS 26 2HZ LYS 26 24.271 -1.368 -12.776 217 3HZ LYS 26 1HZ LYS 26 24.114 -2.871 -11.994 218 H ALA 27 H ALA 27 23.434 5.019 -9.515 219 HA ALA 27 HA ALA 27 21.746 4.278 -11.862 220 1HB ALA 27 1HB ALA 27 20.399 3.643 -10.016 221 2HB ALA 27 2HB ALA 27 19.798 5.231 -10.484 222 3HB ALA 27 3HB ALA 27 20.862 5.070 -9.087 223 H GLY 28 H GLY 28 23.476 6.709 -10.169 224 1HA GLY 28 1HA GLY 28 22.754 8.679 -12.266 225 2HA GLY 28 2HA GLY 28 24.064 8.828 -11.100 226 H LEU 29 H LEU 29 22.501 8.298 -8.743 227 HA LEU 29 HA LEU 29 21.254 10.961 -8.458 228 1HB LEU 29 2HB LEU 29 19.623 8.853 -9.182 229 2HB LEU 29 1HB LEU 29 19.501 8.820 -7.423 230 HG LEU 29 HG LEU 29 19.095 11.371 -7.588 231 1HD1 LEU 29 1HD1 LEU 29 18.783 10.488 -10.460 232 2HD1 LEU 29 3HD1 LEU 29 17.944 11.905 -9.830 233 3HD1 LEU 29 2HD1 LEU 29 19.707 11.852 -9.829 234 1HD2 LEU 29 1HD2 LEU 29 17.105 9.340 -8.637 235 2HD2 LEU 29 3HD2 LEU 29 17.312 9.859 -6.963 236 3HD2 LEU 29 2HD2 LEU 29 16.673 10.983 -8.164 237 H CYS 30 H CYS 30 20.996 11.537 -6.197 238 HA CYS 30 HA CYS 30 22.900 10.166 -4.449 239 1HB CYS 30 2HB CYS 30 21.023 12.491 -3.964 240 2HB CYS 30 1HB CYS 30 22.178 11.891 -2.774 241 H GLN 31 H GLN 31 22.296 9.358 -2.288 242 HA GLN 31 HA GLN 31 19.463 8.662 -1.835 243 1HB GLN 31 2HB GLN 31 21.458 6.735 -2.881 244 2HB GLN 31 1HB GLN 31 20.545 6.168 -1.484 245 1HG GLN 31 2HG GLN 31 18.619 5.973 -2.677 246 2HG GLN 31 1HG GLN 31 18.875 7.506 -3.509 247 1HE2 GLN 31 1HE2 GLN 31 19.517 7.363 -5.677 248 2HE2 GLN 31 2HE2 GLN 31 20.102 5.953 -6.418 249 H THR 32 H THR 32 19.353 7.300 0.270 250 HA THR 32 HA THR 32 21.160 8.566 2.241 251 HB THR 32 HB THR 32 19.541 7.643 3.908 252 HG1 THR 32 HG1 THR 32 17.737 6.549 3.098 253 1HG2 THR 32 3HG2 THR 32 19.122 9.850 2.781 254 2HG2 THR 32 2HG2 THR 32 18.123 9.010 1.599 255 3HG2 THR 32 1HG2 THR 32 17.645 9.036 3.296 256 H PHE 33 H PHE 33 22.136 7.224 3.959 257 HA PHE 33 HA PHE 33 22.282 4.332 3.560 258 1HB PHE 33 2HB PHE 33 24.478 4.092 2.780 259 2HB PHE 33 1HB PHE 33 23.886 5.451 1.835 260 HD1 PHE 33 HD1 PHE 33 26.491 4.305 3.930 261 HD2 PHE 33 HD2 PHE 33 24.289 7.834 2.908 262 HE1 PHE 33 HE1 PHE 33 28.351 5.696 4.755 263 HE2 PHE 33 HE2 PHE 33 26.149 9.236 3.748 264 HZ PHE 33 HZ PHE 33 28.181 8.166 4.673 265 H VAL 34 H VAL 34 24.346 3.559 5.073 266 HA VAL 34 HA VAL 34 24.004 5.086 7.623 267 HB VAL 34 HB VAL 34 24.190 2.110 7.105 268 1HG1 VAL 34 3HG1 VAL 34 24.522 3.651 9.687 269 2HG1 VAL 34 2HG1 VAL 34 24.055 1.951 9.652 270 3HG1 VAL 34 1HG1 VAL 34 25.613 2.449 8.994 271 1HG2 VAL 34 2HG2 VAL 34 21.966 3.584 7.153 272 2HG2 VAL 34 1HG2 VAL 34 22.004 1.995 7.907 273 3HG2 VAL 34 3HG2 VAL 34 22.180 3.446 8.894 274 H TYR 35 H TYR 35 25.878 5.951 8.422 275 HA TYR 35 HA TYR 35 28.472 4.934 7.364 276 1HB TYR 35 2HB TYR 35 28.151 7.321 7.147 277 2HB TYR 35 1HB TYR 35 27.705 7.455 8.847 278 HD1 TYR 35 HD1 TYR 35 30.473 5.446 7.315 279 HD2 TYR 35 HD2 TYR 35 29.393 8.821 9.750 280 HE1 TYR 35 HE1 TYR 35 32.865 5.800 7.893 281 HE2 TYR 35 HE2 TYR 35 31.781 9.170 10.323 282 HH TYR 35 HH TYR 35 33.829 8.197 10.300 283 H GLY 36 H GLY 36 29.809 3.748 8.658 284 1HA GLY 36 1HA GLY 36 30.605 2.651 10.560 285 2HA GLY 36 2HA GLY 36 28.986 2.826 11.228 286 H GLY 37 H GLY 37 31.180 5.450 10.273 287 1HA GLY 37 1HA GLY 37 31.408 6.180 13.164 288 2HA GLY 37 2HA GLY 37 31.028 7.395 11.947 289 H CYS 38 H CYS 38 33.293 4.795 11.260 290 HA CYS 38 HA CYS 38 35.491 6.836 11.288 291 1HB CYS 38 2HB CYS 38 37.029 5.019 12.001 292 2HB CYS 38 1HB CYS 38 35.765 5.331 13.191 293 H ARG 39 H ARG 39 37.235 6.424 9.808 294 HA ARG 39 HA ARG 39 38.113 5.923 7.714 295 1HB ARG 39 2HB ARG 39 36.648 3.369 8.381 296 2HB ARG 39 1HB ARG 39 37.568 3.552 6.890 297 1HG ARG 39 2HG ARG 39 39.309 4.512 8.832 298 2HG ARG 39 1HG ARG 39 38.529 3.143 9.626 299 1HD ARG 39 2HD ARG 39 39.378 1.609 8.129 300 2HD ARG 39 1HD ARG 39 39.423 2.770 6.802 301 HE ARG 39 HE ARG 39 41.318 3.693 8.651 302 1HH1 ARG 39 1HH1 ARG 39 43.476 3.103 8.573 303 2HH1 ARG 39 2HH1 ARG 39 43.937 1.657 7.745 304 1HH2 ARG 39 1HH2 ARG 39 40.711 0.857 6.820 305 2HH2 ARG 39 2HH2 ARG 39 42.372 0.385 6.756 306 H ALA 40 H ALA 40 35.977 7.612 7.488 307 HA ALA 40 HA ALA 40 33.952 6.560 5.668 308 1HB ALA 40 2HB ALA 40 33.814 8.619 7.270 309 2HB ALA 40 1HB ALA 40 34.605 9.489 5.956 310 3HB ALA 40 3HB ALA 40 33.037 8.723 5.691 311 H LYS 41 H LYS 41 33.728 8.150 3.554 312 HA LYS 41 HA LYS 41 36.373 8.296 2.177 313 1HB LYS 41 2HB LYS 41 33.887 7.069 0.959 314 2HB LYS 41 1HB LYS 41 35.480 7.160 0.214 315 1HG LYS 41 2HG LYS 41 34.864 5.661 2.784 316 2HG LYS 41 1HG LYS 41 34.976 4.908 1.192 317 1HD LYS 41 2HD LYS 41 37.288 5.366 1.003 318 2HD LYS 41 1HD LYS 41 37.247 6.573 2.287 319 1HE LYS 41 2HE LYS 41 36.418 3.795 2.999 320 2HE LYS 41 1HE LYS 41 38.135 4.078 2.721 321 1HZ LYS 41 1HZ LYS 41 37.127 6.199 4.280 322 2HZ LYS 41 3HZ LYS 41 36.609 4.730 5.003 323 3HZ LYS 41 2HZ LYS 41 38.275 5.007 4.717 324 H ARG 42 H ARG 42 35.597 9.201 -0.303 325 HA ARG 42 HA ARG 42 34.737 11.907 0.300 326 1HB ARG 42 2HB ARG 42 35.190 10.496 -2.342 327 2HB ARG 42 1HB ARG 42 34.796 12.204 -2.199 328 1HG ARG 42 2HG ARG 42 36.842 12.206 -0.512 329 2HG ARG 42 1HG ARG 42 37.314 10.769 -1.423 330 1HD ARG 42 2HD ARG 42 37.101 12.081 -3.533 331 2HD ARG 42 1HD ARG 42 36.748 13.521 -2.576 332 HE ARG 42 HE ARG 42 39.167 12.546 -1.555 333 1HH1 ARG 42 1HH1 ARG 42 41.169 13.199 -2.335 334 2HH1 ARG 42 2HH1 ARG 42 41.289 13.864 -3.927 335 1HH2 ARG 42 1HH2 ARG 42 37.926 13.577 -4.607 336 2HH2 ARG 42 2HH2 ARG 42 39.465 14.070 -5.208 337 H ASN 43 H ASN 43 33.207 9.087 -1.247 338 HA ASN 43 HA ASN 43 30.749 10.404 -1.957 339 1HB ASN 43 2HB ASN 43 31.714 7.951 -2.464 340 2HB ASN 43 1HB ASN 43 30.715 7.546 -1.070 341 1HD2 ASN 43 1HD2 ASN 43 30.303 6.809 -3.932 342 2HD2 ASN 43 2HD2 ASN 43 28.753 7.418 -4.330 343 H ASN 44 H ASN 44 30.972 11.675 0.239 344 HA ASN 44 HA ASN 44 29.034 10.432 2.142 345 1HB ASN 44 2HB ASN 44 31.473 10.106 2.899 346 2HB ASN 44 1HB ASN 44 31.524 11.853 3.114 347 1HD2 ASN 44 1HD2 ASN 44 30.831 8.970 4.746 348 2HD2 ASN 44 2HD2 ASN 44 29.891 9.626 6.004 349 H PHE 45 H PHE 45 27.507 11.898 2.789 350 HA PHE 45 HA PHE 45 28.132 14.802 2.739 351 1HB PHE 45 2HB PHE 45 25.822 13.534 1.225 352 2HB PHE 45 1HB PHE 45 26.040 15.269 1.450 353 HD1 PHE 45 HD1 PHE 45 26.992 12.372 -0.478 354 HD2 PHE 45 HD2 PHE 45 28.175 16.358 0.603 355 HE1 PHE 45 HE1 PHE 45 28.567 12.424 -2.390 356 HE2 PHE 45 HE2 PHE 45 29.747 16.406 -1.314 357 HZ PHE 45 HZ PHE 45 29.943 14.440 -2.805 358 H LYS 46 H LYS 46 26.069 16.005 3.666 359 HA LYS 46 HA LYS 46 25.100 14.345 5.950 360 1HB LYS 46 2HB LYS 46 25.097 16.245 7.311 361 2HB LYS 46 1HB LYS 46 26.504 16.522 6.293 362 1HG LYS 46 2HG LYS 46 25.147 17.943 4.794 363 2HG LYS 46 1HG LYS 46 23.741 17.671 5.824 364 1HD LYS 46 2HD LYS 46 24.386 19.527 6.938 365 2HD LYS 46 1HD LYS 46 25.644 18.515 7.645 366 1HE LYS 46 2HE LYS 46 26.165 19.756 4.965 367 2HE LYS 46 1HE LYS 46 26.245 20.785 6.393 368 1HZ LYS 46 2HZ LYS 46 27.667 18.192 6.209 369 2HZ LYS 46 1HZ LYS 46 28.372 19.660 5.726 370 3HZ LYS 46 3HZ LYS 46 27.907 19.438 7.344 371 H SER 47 H SER 47 24.019 15.989 3.114 372 HA SER 47 HA SER 47 21.212 15.372 3.908 373 1HB SER 47 2HB SER 47 20.384 17.513 3.503 374 2HB SER 47 1HB SER 47 21.943 17.896 4.227 375 HG SER 47 HG SER 47 22.542 18.759 2.401 376 H ALA 48 H ALA 48 19.739 15.334 2.031 377 HA ALA 48 HA ALA 48 20.881 13.967 -0.240 378 1HB ALA 48 3HB ALA 48 18.599 13.467 0.297 379 2HB ALA 48 2HB ALA 48 18.157 15.174 0.321 380 3HB ALA 48 1HB ALA 48 18.531 14.382 -1.209 381 H GLU 49 H GLU 49 19.759 17.248 0.404 382 HA GLU 49 HA GLU 49 20.121 18.282 -2.250 383 1HB GLU 49 2HB GLU 49 20.269 19.686 0.448 384 2HB GLU 49 1HB GLU 49 20.122 20.497 -1.110 385 1HG GLU 49 2HG GLU 49 17.899 20.333 -0.100 386 2HG GLU 49 1HG GLU 49 17.968 19.274 -1.508 387 H ASP 50 H ASP 50 22.246 17.994 0.598 388 HA ASP 50 HA ASP 50 24.492 19.418 -0.373 389 1HB ASP 50 2HB ASP 50 24.093 17.172 1.555 390 2HB ASP 50 1HB ASP 50 25.739 17.547 1.051 391 H CYS 51 H CYS 51 23.855 15.917 -0.577 392 HA CYS 51 HA CYS 51 26.096 15.304 -2.238 393 1HB CYS 51 2HB CYS 51 24.973 13.522 -1.088 394 2HB CYS 51 1HB CYS 51 23.430 13.935 -1.831 395 H MET 52 H MET 52 22.736 16.130 -3.067 396 HA MET 52 HA MET 52 23.021 15.696 -5.891 397 1HB MET 52 2HB MET 52 21.097 17.301 -4.214 398 2HB MET 52 1HB MET 52 20.961 17.220 -5.970 399 1HG MET 52 2HG MET 52 20.946 14.843 -4.082 400 2HG MET 52 1HG MET 52 19.539 15.505 -4.912 401 1HE MET 52 2HE MET 52 19.182 15.769 -7.071 402 2HE MET 52 1HE MET 52 19.896 14.953 -8.459 403 3HE MET 52 3HE MET 52 18.812 14.072 -7.374 404 H ARG 53 H ARG 53 23.255 18.689 -3.942 405 HA ARG 53 HA ARG 53 23.795 20.360 -6.250 406 1HB ARG 53 2HB ARG 53 22.991 21.717 -4.611 407 2HB ARG 53 1HB ARG 53 23.579 20.676 -3.320 408 1HG ARG 53 2HG ARG 53 25.562 22.282 -4.918 409 2HG ARG 53 1HG ARG 53 24.622 23.074 -3.658 410 1HD ARG 53 2HD ARG 53 26.026 20.482 -3.075 411 2HD ARG 53 1HD ARG 53 26.916 22.001 -3.005 412 HE ARG 53 HE ARG 53 24.653 22.471 -1.471 413 1HH1 ARG 53 1HH1 ARG 53 24.528 22.068 0.728 414 2HH1 ARG 53 2HH1 ARG 53 25.566 20.865 1.445 415 1HH2 ARG 53 1HH2 ARG 53 27.170 20.085 -1.516 416 2HH2 ARG 53 2HH2 ARG 53 27.041 19.798 0.201 417 H THR 54 H THR 54 25.856 18.445 -4.140 418 HA THR 54 HA THR 54 28.253 19.868 -5.186 419 HB THR 54 HB THR 54 28.546 17.609 -3.258 420 HG1 THR 54 HG1 THR 54 26.776 18.635 -2.352 421 1HG2 THR 54 3HG2 THR 54 29.712 20.393 -3.527 422 2HG2 THR 54 2HG2 THR 54 30.188 19.216 -2.303 423 3HG2 THR 54 1HG2 THR 54 30.488 18.884 -4.010 424 H CYS 55 H CYS 55 27.394 16.397 -4.697 425 HA CYS 55 HA CYS 55 29.320 15.669 -6.795 426 1HB CYS 55 2HB CYS 55 29.236 14.146 -4.971 427 2HB CYS 55 1HB CYS 55 27.475 14.078 -5.009 428 H GLY 56 H GLY 56 25.804 15.406 -6.310 429 1HA GLY 56 1HA GLY 56 24.070 15.282 -7.883 430 2HA GLY 56 2HA GLY 56 25.164 14.255 -8.810 431 H GLY 57 H GLY 57 24.298 17.641 -8.166 432 1HA GLY 57 1HA GLY 57 25.923 18.780 -10.276 433 2HA GLY 57 2HA GLY 57 24.551 19.578 -9.498 434 H ALA 58 H ALA 58 24.742 16.568 -11.356 435 HA ALA 58 HA ALA 58 22.309 17.099 -12.804 436 1HB ALA 58 1HB ALA 58 24.931 17.432 -14.285 437 2HB ALA 58 3HB ALA 58 23.380 17.177 -15.083 438 3HB ALA 58 2HB ALA 58 23.641 18.625 -14.114 No H/Q in entry = 438
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