NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25137 | 2k6o | 15876 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 1HT LEU 1 -22.972 5.280 5.573 2 H2 LEU 1 2HT LEU 1 -24.245 4.298 6.124 3 H3 LEU 1 3HT LEU 1 -24.024 4.554 4.458 4 HA LEU 1 HA LEU 1 -22.868 2.583 6.135 5 HB2 LEU 1 2HB LEU 1 -23.027 3.215 3.191 6 HB3 LEU 1 1HB LEU 1 -22.040 1.871 3.765 7 HG LEU 1 HG LEU 1 -23.991 0.886 4.882 8 HD11 LEU 1 2HD1 LEU 1 -25.294 2.768 5.517 9 HD12 LEU 1 3HD1 LEU 1 -26.256 1.956 4.283 10 HD13 LEU 1 1HD1 LEU 1 -25.330 3.398 3.870 11 HD21 LEU 1 1HD2 LEU 1 -25.156 0.161 2.910 12 HD22 LEU 1 2HD2 LEU 1 -23.492 0.474 2.418 13 HD23 LEU 1 3HD2 LEU 1 -24.755 1.648 2.052 14 H LEU 2 H LEU 2 -21.695 5.220 6.578 15 HA LEU 2 HA LEU 2 -19.122 5.271 5.321 16 HB2 LEU 2 2HB LEU 2 -20.538 7.198 6.483 17 HB3 LEU 2 1HB LEU 2 -19.627 6.694 7.902 18 HG LEU 2 HG LEU 2 -18.457 8.510 6.737 19 HD11 LEU 2 1HD1 LEU 2 -16.879 6.034 6.103 20 HD12 LEU 2 2HD1 LEU 2 -17.265 6.427 7.775 21 HD13 LEU 2 3HD1 LEU 2 -16.327 7.554 6.795 22 HD21 LEU 2 3HD2 LEU 2 -18.109 8.580 4.483 23 HD22 LEU 2 1HD2 LEU 2 -19.434 7.419 4.425 24 HD23 LEU 2 2HD2 LEU 2 -17.764 6.854 4.375 25 H GLY 3 H GLY 3 -20.344 4.276 8.467 26 HA2 GLY 3 2HA GLY 3 -17.908 3.589 9.674 27 HA3 GLY 3 1HA GLY 3 -19.461 2.834 10.043 28 H ASP 4 H ASP 4 -19.978 1.892 7.399 29 HA ASP 4 HA ASP 4 -18.539 -0.594 7.467 30 HB2 ASP 4 2HB ASP 4 -20.963 -0.200 6.722 31 HB3 ASP 4 1HB ASP 4 -20.282 0.386 5.209 32 H PHE 5 H PHE 5 -18.302 2.406 5.746 33 HA PHE 5 HA PHE 5 -16.703 1.566 3.550 34 HB2 PHE 5 2HB PHE 5 -17.907 3.742 3.698 35 HB3 PHE 5 1HB PHE 5 -16.772 4.248 4.932 36 HD1 PHE 5 2HD PHE 5 -14.419 4.664 4.421 37 HD2 PHE 5 1HD PHE 5 -17.223 3.563 1.361 38 HE1 PHE 5 2HE PHE 5 -12.809 5.393 2.687 39 HE2 PHE 5 1HE PHE 5 -15.614 4.294 -0.377 40 HZ PHE 5 HZ PHE 5 -13.404 5.207 0.284 41 H PHE 6 H PHE 6 -15.967 3.075 6.634 42 HA PHE 6 HA PHE 6 -13.202 3.215 6.469 43 HB2 PHE 6 2HB PHE 6 -15.163 2.949 8.713 44 HB3 PHE 6 1HB PHE 6 -13.450 2.762 9.079 45 HD1 PHE 6 2HD PHE 6 -11.974 4.646 7.620 46 HD2 PHE 6 1HD PHE 6 -15.975 5.085 9.130 47 HE1 PHE 6 2HE PHE 6 -11.707 7.108 7.617 48 HE2 PHE 6 1HE PHE 6 -15.701 7.548 9.130 49 HZ PHE 6 HZ PHE 6 -13.568 8.559 8.374 50 H ARG 7 H ARG 7 -15.251 0.522 7.537 51 HA ARG 7 HA ARG 7 -13.134 -1.230 8.239 52 HB2 ARG 7 2HB ARG 7 -15.987 -1.796 7.397 53 HB3 ARG 7 1HB ARG 7 -14.886 -3.002 8.061 54 HG2 ARG 7 2HG ARG 7 -15.273 -0.449 9.585 55 HG3 ARG 7 1HG ARG 7 -16.555 -1.658 9.641 56 HD2 ARG 7 2HD ARG 7 -13.672 -2.384 10.160 57 HD3 ARG 7 1HD ARG 7 -14.728 -1.811 11.448 58 HE ARG 7 HE ARG 7 -16.164 -3.826 10.301 59 HH11 ARG 7 1HH2 ARG 7 -12.949 -3.495 11.537 60 HH12 ARG 7 2HH2 ARG 7 -12.828 -5.145 12.051 61 HH21 ARG 7 1HH1 ARG 7 -16.013 -5.992 10.973 62 HH22 ARG 7 2HH1 ARG 7 -14.563 -6.558 11.731 63 H LYS 8 H LYS 8 -14.890 -0.627 5.236 64 HA LYS 8 HA LYS 8 -13.703 -2.811 3.805 65 HB2 LYS 8 2HB LYS 8 -15.873 -1.817 3.155 66 HB3 LYS 8 1HB LYS 8 -15.049 -0.312 2.750 67 HG2 LYS 8 2HG LYS 8 -13.931 -1.264 0.916 68 HG3 LYS 8 1HG LYS 8 -14.155 -2.909 1.512 69 HD2 LYS 8 2HD LYS 8 -15.657 -2.418 -0.401 70 HD3 LYS 8 1HD LYS 8 -16.567 -2.763 1.071 71 HE2 LYS 8 2HE LYS 8 -16.995 -0.430 1.453 72 HE3 LYS 8 1HE LYS 8 -15.859 0.046 0.190 73 HZ1 LYS 8 3HZ LYS 8 -17.823 -1.751 -0.807 74 HZ2 LYS 8 1HZ LYS 8 -17.416 -0.198 -1.350 75 HZ3 LYS 8 2HZ LYS 8 -18.554 -0.388 -0.103 76 H SER 9 H SER 9 -13.160 0.712 3.840 77 HA SER 9 HA SER 9 -11.017 0.706 1.997 78 HB2 SER 9 2HB SER 9 -12.194 2.763 2.562 79 HB3 SER 9 1HB SER 9 -11.665 2.637 4.237 80 HG SER 9 HG SER 9 -9.464 2.501 3.050 81 H LYS 10 H LYS 10 -11.203 0.200 5.457 82 HA LYS 10 HA LYS 10 -8.591 0.523 6.265 83 HB2 LYS 10 2HB LYS 10 -10.286 0.024 7.881 84 HB3 LYS 10 1HB LYS 10 -10.639 -1.527 7.119 85 HG2 LYS 10 2HG LYS 10 -8.580 -2.469 7.818 86 HG3 LYS 10 1HG LYS 10 -7.890 -0.891 8.195 87 HD2 LYS 10 2HD LYS 10 -10.371 -1.716 9.656 88 HD3 LYS 10 1HD LYS 10 -8.850 -2.477 10.119 89 HE2 LYS 10 2HE LYS 10 -9.136 0.522 9.868 90 HE3 LYS 10 1HE LYS 10 -9.462 -0.334 11.375 91 HZ1 LYS 10 3HZ LYS 10 -7.228 -1.238 11.312 92 HZ2 LYS 10 1HZ LYS 10 -7.181 0.458 11.280 93 HZ3 LYS 10 2HZ LYS 10 -6.912 -0.425 9.854 94 H GLU 11 H GLU 11 -10.008 -2.577 5.135 95 HA GLU 11 HA GLU 11 -7.464 -3.856 5.064 96 HB2 GLU 11 2HB GLU 11 -8.589 -5.763 4.254 97 HB3 GLU 11 1HB GLU 11 -9.763 -4.966 5.299 98 HG2 GLU 11 2HG GLU 11 -10.591 -3.778 3.176 99 HG3 GLU 11 1HG GLU 11 -9.650 -4.968 2.282 100 H LYS 12 H LYS 12 -9.286 -2.026 2.729 101 HA LYS 12 HA LYS 12 -8.080 -2.920 0.367 102 HB2 LYS 12 2HB LYS 12 -9.129 -0.199 1.148 103 HB3 LYS 12 1HB LYS 12 -8.526 -0.557 -0.467 104 HG2 LYS 12 2HG LYS 12 -10.303 -2.675 0.170 105 HG3 LYS 12 1HG LYS 12 -11.110 -1.200 0.690 106 HD2 LYS 12 2HD LYS 12 -11.753 -1.430 -1.568 107 HD3 LYS 12 1HD LYS 12 -10.449 -0.244 -1.620 108 HE2 LYS 12 2HE LYS 12 -9.906 -1.768 -3.346 109 HE3 LYS 12 1HE LYS 12 -8.884 -2.270 -1.999 110 HZ1 LYS 12 3HZ LYS 12 -10.786 -3.820 -1.409 111 HZ2 LYS 12 1HZ LYS 12 -9.860 -4.226 -2.770 112 HZ3 LYS 12 2HZ LYS 12 -11.388 -3.509 -2.968 113 H ILE 13 H ILE 13 -6.879 -0.714 2.857 114 HA ILE 13 HA ILE 13 -4.671 0.197 1.291 115 HB ILE 13 HB ILE 13 -4.149 1.509 3.081 116 HG12 ILE 13 2HG1 ILE 13 -5.059 -0.686 4.963 117 HG13 ILE 13 1HG1 ILE 13 -3.389 -0.356 4.519 118 HG21 ILE 13 1HG2 ILE 13 -6.108 2.325 4.041 119 HG22 ILE 13 2HG2 ILE 13 -6.801 0.716 4.231 120 HG23 ILE 13 3HG2 ILE 13 -6.726 1.459 2.633 121 HD11 ILE 13 3HD1 ILE 13 -3.628 1.944 5.438 122 HD12 ILE 13 1HD1 ILE 13 -3.868 0.699 6.662 123 HD13 ILE 13 2HD1 ILE 13 -5.258 1.534 5.969 124 H GLY 14 H GLY 14 -4.997 -2.139 3.948 125 HA2 GLY 14 2HA GLY 14 -2.421 -3.021 4.223 126 HA3 GLY 14 1HA GLY 14 -3.821 -4.078 4.379 127 H LYS 15 H LYS 15 -4.666 -3.757 1.603 128 HA LYS 15 HA LYS 15 -3.035 -5.823 0.456 129 HB2 LYS 15 2HB LYS 15 -5.490 -5.660 0.105 130 HB3 LYS 15 1HB LYS 15 -5.231 -4.191 -0.834 131 HG2 LYS 15 2HG LYS 15 -3.465 -6.265 -1.806 132 HG3 LYS 15 1HG LYS 15 -5.113 -6.883 -1.759 133 HD2 LYS 15 2HD LYS 15 -4.471 -4.186 -2.966 134 HD3 LYS 15 1HD LYS 15 -4.379 -5.672 -3.910 135 HE2 LYS 15 2HE LYS 15 -6.715 -6.165 -3.476 136 HE3 LYS 15 1HE LYS 15 -6.840 -4.799 -2.368 137 HZ1 LYS 15 3HZ LYS 15 -5.876 -3.657 -4.614 138 HZ2 LYS 15 1HZ LYS 15 -7.511 -3.680 -4.160 139 HZ3 LYS 15 2HZ LYS 15 -6.915 -4.845 -5.245 140 H GLU 16 H GLU 16 -3.688 -2.420 -0.464 141 HA GLU 16 HA GLU 16 -1.658 -2.517 -2.525 142 HB2 GLU 16 2HB GLU 16 -2.315 -0.336 -3.092 143 HB3 GLU 16 1HB GLU 16 -3.805 -1.087 -2.524 144 HG2 GLU 16 2HG GLU 16 -3.079 -0.137 -0.191 145 HG3 GLU 16 1HG GLU 16 -2.066 0.941 -1.145 146 H PHE 17 H PHE 17 -1.930 -1.264 0.760 147 HA PHE 17 HA PHE 17 0.418 0.264 0.851 148 HB2 PHE 17 2HB PHE 17 -1.455 0.022 2.613 149 HB3 PHE 17 1HB PHE 17 -0.553 -1.383 3.179 150 HD1 PHE 17 2HD PHE 17 -0.293 2.273 2.506 151 HD2 PHE 17 1HD PHE 17 1.423 -1.135 4.478 152 HE1 PHE 17 2HE PHE 17 1.249 3.767 3.746 153 HE2 PHE 17 1HE PHE 17 2.965 0.359 5.718 154 HZ PHE 17 HZ PHE 17 2.878 2.810 5.351 155 H LYS 18 H LYS 18 -0.124 -3.201 1.289 156 HA LYS 18 HA LYS 18 2.500 -3.853 2.147 157 HB2 LYS 18 2HB LYS 18 0.446 -5.331 2.309 158 HB3 LYS 18 1HB LYS 18 0.632 -5.646 0.585 159 HG2 LYS 18 2HG LYS 18 1.851 -7.419 1.460 160 HG3 LYS 18 1HG LYS 18 3.128 -6.217 1.283 161 HD2 LYS 18 2HD LYS 18 3.478 -6.885 3.483 162 HD3 LYS 18 1HD LYS 18 2.384 -5.527 3.733 163 HE2 LYS 18 2HE LYS 18 0.489 -7.295 3.553 164 HE3 LYS 18 1HE LYS 18 1.769 -8.476 3.825 165 HZ1 LYS 18 3HZ LYS 18 0.883 -7.912 5.926 166 HZ2 LYS 18 1HZ LYS 18 0.958 -6.249 5.603 167 HZ3 LYS 18 2HZ LYS 18 2.391 -7.135 5.822 168 H ARG 19 H ARG 19 0.948 -3.953 -1.065 169 HA ARG 19 HA ARG 19 3.248 -4.804 -2.481 170 HB2 ARG 19 2HB ARG 19 0.871 -3.180 -3.423 171 HB3 ARG 19 1HB ARG 19 2.059 -3.942 -4.481 172 HG2 ARG 19 2HG ARG 19 1.492 -6.144 -3.339 173 HG3 ARG 19 1HG ARG 19 0.135 -5.307 -2.586 174 HD2 ARG 19 2HD ARG 19 -0.827 -6.233 -4.518 175 HD3 ARG 19 1HD ARG 19 -0.470 -4.579 -5.009 176 HE ARG 19 HE ARG 19 1.778 -5.965 -5.713 177 HH11 ARG 19 1HH2 ARG 19 -1.618 -6.317 -6.268 178 HH12 ARG 19 2HH2 ARG 19 -1.429 -7.065 -7.818 179 HH21 ARG 19 1HH1 ARG 19 2.036 -6.947 -7.746 180 HH22 ARG 19 2HH1 ARG 19 0.641 -7.422 -8.656 181 H ILE 20 H ILE 20 2.118 -1.650 -1.439 182 HA ILE 20 HA ILE 20 3.901 -0.098 -3.024 183 HB ILE 20 HB ILE 20 2.303 0.435 -0.525 184 HG12 ILE 20 2HG1 ILE 20 2.224 1.689 -3.283 185 HG13 ILE 20 1HG1 ILE 20 1.244 0.299 -2.822 186 HG21 ILE 20 1HG2 ILE 20 4.355 2.195 -1.875 187 HG22 ILE 20 2HG2 ILE 20 4.197 1.820 -0.159 188 HG23 ILE 20 3HG2 ILE 20 3.021 2.874 -0.942 189 HD11 ILE 20 3HD1 ILE 20 1.218 2.969 -1.384 190 HD12 ILE 20 1HD1 ILE 20 0.172 1.589 -1.053 191 HD13 ILE 20 2HD1 ILE 20 0.020 2.463 -2.577 192 H VAL 21 H VAL 21 4.007 -1.045 0.423 193 HA VAL 21 HA VAL 21 6.512 0.019 1.028 194 HB VAL 21 HB VAL 21 5.137 -2.450 2.113 195 HG11 VAL 21 1HG1 VAL 21 7.448 -2.707 2.657 196 HG12 VAL 21 2HG1 VAL 21 6.702 -2.001 4.090 197 HG13 VAL 21 3HG1 VAL 21 7.634 -0.985 2.990 198 HG21 VAL 21 3HG2 VAL 21 4.079 -0.122 2.350 199 HG22 VAL 21 1HG2 VAL 21 5.462 0.285 3.367 200 HG23 VAL 21 2HG2 VAL 21 4.361 -1.006 3.850 201 H GLN 22 H GLN 22 5.637 -3.034 -0.507 202 HA GLN 22 HA GLN 22 8.267 -4.148 -0.480 203 HB2 GLN 22 2HB GLN 22 6.044 -5.382 -0.817 204 HB3 GLN 22 1HB GLN 22 6.112 -4.812 -2.484 205 HG2 GLN 22 2HG GLN 22 7.137 -6.974 -2.484 206 HG3 GLN 22 1HG GLN 22 8.453 -5.807 -2.600 207 HE21 GLN 22 1HE2 GLN 22 6.753 -7.963 -0.307 208 HE22 GLN 22 2HE2 GLN 22 8.025 -8.030 0.815 209 H ARG 23 H ARG 23 6.392 -2.306 -2.864 210 HA ARG 23 HA ARG 23 8.345 -2.428 -4.930 211 HB2 ARG 23 2HB ARG 23 5.919 -1.853 -5.248 212 HB3 ARG 23 1HB ARG 23 6.252 -0.283 -4.516 213 HG2 ARG 23 2HG ARG 23 7.930 0.186 -6.254 214 HG3 ARG 23 1HG ARG 23 7.624 -1.391 -6.984 215 HD2 ARG 23 2HD ARG 23 5.169 -0.648 -7.154 216 HD3 ARG 23 1HD ARG 23 5.757 0.975 -6.807 217 HE ARG 23 HE ARG 23 7.341 0.139 -8.872 218 HH11 ARG 23 1HH2 ARG 23 3.935 0.318 -8.283 219 HH12 ARG 23 2HH2 ARG 23 3.523 0.573 -9.946 220 HH21 ARG 23 1HH1 ARG 23 6.808 0.472 -11.051 221 HH22 ARG 23 2HH1 ARG 23 5.149 0.661 -11.514 222 H ILE 24 H ILE 24 7.550 0.096 -2.536 223 HA ILE 24 HA ILE 24 9.457 1.982 -3.314 224 HB ILE 24 HB ILE 24 7.937 1.396 -0.823 225 HG12 ILE 24 2HG1 ILE 24 7.213 3.681 -1.115 226 HG13 ILE 24 1HG1 ILE 24 8.508 4.001 -2.266 227 HG21 ILE 24 1HG2 ILE 24 10.043 1.768 0.239 228 HG22 ILE 24 2HG2 ILE 24 9.201 3.315 0.305 229 HG23 ILE 24 3HG2 ILE 24 10.468 3.054 -0.893 230 HD11 ILE 24 3HD1 ILE 24 7.444 2.885 -3.984 231 HD12 ILE 24 1HD1 ILE 24 6.029 3.413 -3.075 232 HD13 ILE 24 2HD1 ILE 24 6.627 1.766 -2.896 233 H LYS 25 H LYS 25 9.774 -0.855 -1.224 234 HA LYS 25 HA LYS 25 12.313 -0.380 -0.176 235 HB2 LYS 25 2HB LYS 25 11.089 -2.219 0.685 236 HB3 LYS 25 1HB LYS 25 10.863 -2.921 -0.914 237 HG2 LYS 25 2HG LYS 25 13.695 -2.544 -0.111 238 HG3 LYS 25 1HG LYS 25 12.801 -3.722 0.848 239 HD2 LYS 25 2HD LYS 25 12.095 -4.874 -1.224 240 HD3 LYS 25 1HD LYS 25 13.017 -3.714 -2.178 241 HE2 LYS 25 2HE LYS 25 15.084 -4.409 -0.979 242 HE3 LYS 25 1HE LYS 25 14.144 -5.623 -0.110 243 HZ1 LYS 25 3HZ LYS 25 14.072 -6.955 -1.888 244 HZ2 LYS 25 1HZ LYS 25 15.387 -6.045 -2.453 245 HZ3 LYS 25 2HZ LYS 25 13.813 -5.676 -2.977 246 H ASP 26 H ASP 26 11.324 -1.603 -3.326 247 HA ASP 26 HA ASP 26 13.971 -2.308 -4.183 248 HB2 ASP 26 2HB ASP 26 11.759 -3.211 -5.096 249 HB3 ASP 26 1HB ASP 26 11.624 -1.690 -5.978 250 H PHE 27 H PHE 27 11.911 0.533 -4.429 251 HA PHE 27 HA PHE 27 13.265 1.996 -6.371 252 HB2 PHE 27 2HB PHE 27 11.101 2.634 -5.308 253 HB3 PHE 27 1HB PHE 27 11.986 3.088 -3.855 254 HD1 PHE 27 1HD PHE 27 12.188 3.661 -7.564 255 HD2 PHE 27 2HD PHE 27 12.542 5.341 -3.625 256 HE1 PHE 27 1HE PHE 27 12.648 5.885 -8.555 257 HE2 PHE 27 2HE PHE 27 13.001 7.565 -4.618 258 HZ PHE 27 HZ PHE 27 13.055 7.838 -7.083 259 H LEU 28 H LEU 28 13.755 2.096 -2.838 260 HA LEU 28 HA LEU 28 15.886 3.862 -2.743 261 HB2 LEU 28 2HB LEU 28 15.140 1.512 -1.010 262 HB3 LEU 28 1HB LEU 28 16.555 2.501 -0.657 263 HG LEU 28 HG LEU 28 14.945 4.525 -0.834 264 HD11 LEU 28 1HD1 LEU 28 12.999 2.219 -0.558 265 HD12 LEU 28 2HD1 LEU 28 13.032 3.441 -1.828 266 HD13 LEU 28 3HD1 LEU 28 12.588 3.892 -0.184 267 HD21 LEU 28 3HD2 LEU 28 15.877 3.864 1.292 268 HD22 LEU 28 1HD2 LEU 28 14.785 2.483 1.399 269 HD23 LEU 28 2HD2 LEU 28 14.149 4.123 1.530 270 H ARG 29 H ARG 29 15.842 0.474 -3.645 271 HA ARG 29 HA ARG 29 18.656 0.044 -3.486 272 HB2 ARG 29 2HB ARG 29 16.694 -1.674 -3.646 273 HB3 ARG 29 1HB ARG 29 16.880 -1.459 -5.387 274 HG2 ARG 29 2HG ARG 29 19.274 -2.041 -5.203 275 HG3 ARG 29 1HG ARG 29 19.085 -2.263 -3.464 276 HD2 ARG 29 2HD ARG 29 17.142 -3.906 -4.215 277 HD3 ARG 29 1HD ARG 29 18.070 -3.965 -5.711 278 HE ARG 29 HE ARG 29 19.941 -4.392 -3.760 279 HH11 ARG 29 1HH2 ARG 29 16.890 -5.775 -4.619 280 HH12 ARG 29 2HH2 ARG 29 17.286 -7.358 -4.035 281 HH21 ARG 29 1HH1 ARG 29 20.469 -6.463 -2.988 282 HH22 ARG 29 2HH1 ARG 29 19.313 -7.747 -3.110 283 H ASN 30 H ASN 30 16.475 0.982 -6.125 284 HA ASN 30 HA ASN 30 18.718 1.223 -7.986 285 HB2 ASN 30 2HB ASN 30 15.782 1.837 -8.394 286 HB3 ASN 30 1HB ASN 30 17.014 1.735 -9.651 287 HD21 ASN 30 1HD2 ASN 30 15.324 -0.232 -7.176 288 HD22 ASN 30 2HD2 ASN 30 15.585 -1.715 -7.958 289 H LEU 31 H LEU 31 17.698 3.039 -5.538 290 HA LEU 31 HA LEU 31 17.588 5.631 -6.844 291 HB2 LEU 31 2HB LEU 31 16.361 4.825 -4.675 292 HB3 LEU 31 1HB LEU 31 17.877 5.238 -3.881 293 HG LEU 31 HG LEU 31 17.723 7.522 -4.906 294 HD11 LEU 31 1HD1 LEU 31 15.298 6.262 -6.096 295 HD12 LEU 31 2HD1 LEU 31 16.337 7.534 -6.739 296 HD13 LEU 31 3HD1 LEU 31 15.116 7.924 -5.531 297 HD21 LEU 31 3HD2 LEU 31 16.953 7.098 -2.606 298 HD22 LEU 31 1HD2 LEU 31 15.365 6.629 -3.213 299 HD23 LEU 31 2HD2 LEU 31 15.919 8.295 -3.386 300 H VAL 32 H VAL 32 19.672 4.231 -4.297 301 HA VAL 32 HA VAL 32 21.684 6.198 -4.503 302 HB VAL 32 HB VAL 32 22.940 4.870 -3.026 303 HG11 VAL 32 1HG1 VAL 32 20.121 3.869 -2.567 304 HG12 VAL 32 2HG1 VAL 32 20.611 5.529 -2.227 305 HG13 VAL 32 3HG1 VAL 32 21.363 4.191 -1.357 306 HG21 VAL 32 3HG2 VAL 32 22.340 2.368 -2.785 307 HG22 VAL 32 1HG2 VAL 32 23.233 2.841 -4.230 308 HG23 VAL 32 2HG2 VAL 32 21.497 2.550 -4.323 309 HA PRO 33 HA PRO 33 23.523 4.766 -8.311 310 HB2 PRO 33 2HB PRO 33 25.752 6.350 -8.291 311 HB3 PRO 33 1HB PRO 33 24.139 6.960 -8.708 312 HG2 PRO 33 2HG PRO 33 25.653 7.205 -6.157 313 HG3 PRO 33 1HG PRO 33 24.618 8.389 -6.975 314 HD2 PRO 33 2HD PRO 33 23.790 6.893 -4.821 315 HD3 PRO 33 1HD PRO 33 22.681 7.531 -6.056 316 H ARG 34 H ARG 34 25.290 4.993 -5.281 317 HA ARG 34 HA ARG 34 26.700 2.487 -5.917 318 HB2 ARG 34 2HB ARG 34 27.972 5.062 -5.001 319 HB3 ARG 34 1HB ARG 34 28.760 3.495 -4.833 320 HG2 ARG 34 2HG ARG 34 28.949 3.186 -7.145 321 HG3 ARG 34 1HG ARG 34 27.672 4.343 -7.510 322 HD2 ARG 34 2HD ARG 34 29.396 6.006 -6.286 323 HD3 ARG 34 1HD ARG 34 30.547 4.827 -6.901 324 HE ARG 34 HE ARG 34 29.499 6.847 -8.421 325 HH11 ARG 34 1HH2 ARG 34 29.381 3.380 -8.551 326 HH12 ARG 34 2HH2 ARG 34 29.101 3.327 -10.256 327 HH21 ARG 34 1HH1 ARG 34 29.147 6.766 -10.648 328 HH22 ARG 34 2HH1 ARG 34 28.974 5.236 -11.442 329 H THR 35 H THR 35 26.268 1.099 -4.336 330 HA THR 35 HA THR 35 25.145 1.903 -1.835 331 HB THR 35 HB THR 35 24.674 -0.311 -1.573 332 HG1 THR 35 1HG THR 35 27.348 -0.604 -2.317 333 HG21 THR 35 3HG2 THR 35 25.726 -0.636 -4.379 334 HG22 THR 35 1HG2 THR 35 24.282 0.318 -4.037 335 HG23 THR 35 2HG2 THR 35 24.318 -1.401 -3.643 336 H GLU 36 H GLU 36 26.370 0.209 -0.009 337 HA GLU 36 HA GLU 36 28.608 1.787 0.800 338 HB2 GLU 36 2HB GLU 36 27.278 -0.696 1.855 339 HB3 GLU 36 1HB GLU 36 28.797 -0.125 2.549 340 HG2 GLU 36 2HG GLU 36 27.804 2.049 3.032 341 HG3 GLU 36 1HG GLU 36 26.304 1.570 2.245 342 H SER 37 H SER 37 30.745 1.440 0.550 343 HA SER 37 HA SER 37 31.648 -0.436 -1.400 344 HB2 SER 37 2HB SER 37 33.276 1.186 0.570 345 HB3 SER 37 1HB SER 37 33.873 0.420 -0.901 346 HG SER 37 HG SER 37 33.336 2.248 -1.790 Start of MODEL 2 1 H1 LEU 1 1HT LEU 1 -24.094 5.113 3.887 2 H2 LEU 1 2HT LEU 1 -22.840 6.061 3.239 3 H3 LEU 1 3HT LEU 1 -22.948 5.822 4.917 4 HA LEU 1 HA LEU 1 -22.644 3.382 4.486 5 HB2 LEU 1 2HB LEU 1 -21.611 4.397 1.828 6 HB3 LEU 1 1HB LEU 1 -21.774 2.721 2.353 7 HG LEU 1 HG LEU 1 -24.058 4.662 1.890 8 HD11 LEU 1 2HD1 LEU 1 -23.024 2.272 0.343 9 HD12 LEU 1 3HD1 LEU 1 -23.143 3.939 -0.219 10 HD13 LEU 1 1HD1 LEU 1 -24.606 2.996 0.064 11 HD21 LEU 1 1HD2 LEU 1 -23.906 1.833 2.938 12 HD22 LEU 1 2HD2 LEU 1 -25.361 2.423 2.134 13 HD23 LEU 1 3HD2 LEU 1 -24.787 3.208 3.605 14 H LEU 2 H LEU 2 -21.533 5.813 5.670 15 HA LEU 2 HA LEU 2 -18.753 5.942 5.008 16 HB2 LEU 2 2HB LEU 2 -20.337 7.686 6.236 17 HB3 LEU 2 1HB LEU 2 -19.768 6.843 7.673 18 HG LEU 2 HG LEU 2 -18.332 8.776 7.185 19 HD11 LEU 2 1HD1 LEU 2 -16.292 7.690 7.501 20 HD12 LEU 2 2HD1 LEU 2 -16.701 6.381 6.400 21 HD13 LEU 2 3HD1 LEU 2 -17.445 6.452 7.994 22 HD21 LEU 2 3HD2 LEU 2 -17.478 9.261 5.124 23 HD22 LEU 2 1HD2 LEU 2 -18.798 8.247 4.547 24 HD23 LEU 2 2HD2 LEU 2 -17.180 7.569 4.731 25 H GLY 3 H GLY 3 -20.632 4.415 7.561 26 HA2 GLY 3 2HA GLY 3 -18.515 3.343 9.059 27 HA3 GLY 3 1HA GLY 3 -20.129 2.636 8.949 28 H ASP 4 H ASP 4 -20.107 2.283 6.115 29 HA ASP 4 HA ASP 4 -18.777 -0.259 5.940 30 HB2 ASP 4 2HB ASP 4 -20.989 0.472 4.831 31 HB3 ASP 4 1HB ASP 4 -19.974 1.254 3.624 32 H PHE 5 H PHE 5 -18.098 3.003 5.003 33 HA PHE 5 HA PHE 5 -16.107 2.522 3.025 34 HB2 PHE 5 2HB PHE 5 -17.262 4.696 3.396 35 HB3 PHE 5 1HB PHE 5 -16.400 4.861 4.911 36 HD1 PHE 5 1HD PHE 5 -16.038 4.794 1.240 37 HD2 PHE 5 2HD PHE 5 -14.054 5.384 5.002 38 HE1 PHE 5 1HE PHE 5 -14.085 5.760 0.059 39 HE2 PHE 5 2HE PHE 5 -12.100 6.350 3.825 40 HZ PHE 5 HZ PHE 5 -12.114 6.539 1.349 41 H PHE 6 H PHE 6 -15.984 3.315 6.444 42 HA PHE 6 HA PHE 6 -13.240 3.298 6.855 43 HB2 PHE 6 2HB PHE 6 -15.632 2.759 8.561 44 HB3 PHE 6 1HB PHE 6 -14.049 2.349 9.216 45 HD1 PHE 6 2HD PHE 6 -12.204 4.331 8.525 46 HD2 PHE 6 1HD PHE 6 -16.413 4.843 9.228 47 HE1 PHE 6 2HE PHE 6 -11.821 6.712 9.088 48 HE2 PHE 6 1HE PHE 6 -16.025 7.225 9.794 49 HZ PHE 6 HZ PHE 6 -13.731 8.160 9.723 50 H ARG 7 H ARG 7 -15.511 0.598 6.721 51 HA ARG 7 HA ARG 7 -13.606 -1.389 7.522 52 HB2 ARG 7 2HB ARG 7 -16.237 -1.662 6.046 53 HB3 ARG 7 1HB ARG 7 -15.321 -2.993 6.751 54 HG2 ARG 7 2HG ARG 7 -16.345 -0.609 8.318 55 HG3 ARG 7 1HG ARG 7 -17.171 -2.165 8.232 56 HD2 ARG 7 2HD ARG 7 -14.632 -2.941 8.925 57 HD3 ARG 7 1HD ARG 7 -14.753 -1.393 9.754 58 HE ARG 7 HE ARG 7 -15.828 -3.717 10.726 59 HH11 ARG 7 1HH2 ARG 7 -17.124 -0.667 9.699 60 HH12 ARG 7 2HH2 ARG 7 -18.533 -0.784 10.695 61 HH21 ARG 7 1HH1 ARG 7 -17.666 -3.859 12.032 62 HH22 ARG 7 2HH1 ARG 7 -18.838 -2.584 12.015 63 H LYS 8 H LYS 8 -14.646 -0.001 4.471 64 HA LYS 8 HA LYS 8 -13.405 -1.956 2.794 65 HB2 LYS 8 2HB LYS 8 -15.253 -0.161 2.258 66 HB3 LYS 8 1HB LYS 8 -13.869 0.873 1.907 67 HG2 LYS 8 2HG LYS 8 -13.012 -0.795 0.310 68 HG3 LYS 8 1HG LYS 8 -14.377 -1.851 0.673 69 HD2 LYS 8 2HD LYS 8 -15.859 0.167 0.000 70 HD3 LYS 8 1HD LYS 8 -14.393 0.816 -0.737 71 HE2 LYS 8 2HE LYS 8 -14.177 -1.441 -1.932 72 HE3 LYS 8 1HE LYS 8 -15.831 -1.756 -1.410 73 HZ1 LYS 8 3HZ LYS 8 -14.959 0.600 -2.993 74 HZ2 LYS 8 1HZ LYS 8 -16.550 0.240 -2.533 75 HZ3 LYS 8 2HZ LYS 8 -15.735 -0.771 -3.629 76 H SER 9 H SER 9 -12.435 1.228 4.026 77 HA SER 9 HA SER 9 -9.956 1.333 2.626 78 HB2 SER 9 2HB SER 9 -10.957 2.765 5.091 79 HB3 SER 9 1HB SER 9 -9.398 3.097 4.342 80 HG SER 9 HG SER 9 -11.490 4.288 3.692 81 H LYS 10 H LYS 10 -10.900 0.230 5.855 82 HA LYS 10 HA LYS 10 -8.474 -0.166 7.068 83 HB2 LYS 10 2HB LYS 10 -11.063 -1.670 7.151 84 HB3 LYS 10 1HB LYS 10 -9.665 -2.334 7.995 85 HG2 LYS 10 2HG LYS 10 -10.365 0.564 8.379 86 HG3 LYS 10 1HG LYS 10 -11.289 -0.664 9.243 87 HD2 LYS 10 2HD LYS 10 -8.290 -0.817 9.292 88 HD3 LYS 10 1HD LYS 10 -9.098 0.363 10.322 89 HE2 LYS 10 2HE LYS 10 -10.264 -1.305 11.521 90 HE3 LYS 10 1HE LYS 10 -9.974 -2.525 10.282 91 HZ1 LYS 10 3HZ LYS 10 -8.504 -2.952 12.075 92 HZ2 LYS 10 1HZ LYS 10 -7.990 -1.336 12.138 93 HZ3 LYS 10 2HZ LYS 10 -7.566 -2.309 10.811 94 H GLU 11 H GLU 11 -10.137 -2.585 5.026 95 HA GLU 11 HA GLU 11 -7.892 -4.344 4.967 96 HB2 GLU 11 2HB GLU 11 -10.312 -4.207 3.155 97 HB3 GLU 11 1HB GLU 11 -9.167 -5.547 3.230 98 HG2 GLU 11 2HG GLU 11 -10.748 -4.548 5.615 99 HG3 GLU 11 1HG GLU 11 -11.247 -5.905 4.606 100 H LYS 12 H LYS 12 -8.918 -1.655 3.032 101 HA LYS 12 HA LYS 12 -7.548 -2.137 0.653 102 HB2 LYS 12 2HB LYS 12 -9.155 -0.236 1.166 103 HB3 LYS 12 1HB LYS 12 -7.795 0.585 1.934 104 HG2 LYS 12 2HG LYS 12 -6.528 0.545 -0.137 105 HG3 LYS 12 1HG LYS 12 -7.774 -0.430 -0.922 106 HD2 LYS 12 2HD LYS 12 -9.400 1.464 -0.431 107 HD3 LYS 12 1HD LYS 12 -8.000 2.434 0.029 108 HE2 LYS 12 2HE LYS 12 -7.030 2.177 -2.185 109 HE3 LYS 12 1HE LYS 12 -8.314 1.065 -2.657 110 HZ1 LYS 12 3HZ LYS 12 -9.254 3.589 -1.634 111 HZ2 LYS 12 1HZ LYS 12 -9.732 2.733 -3.018 112 HZ3 LYS 12 2HZ LYS 12 -8.354 3.724 -3.067 113 H ILE 13 H ILE 13 -6.354 -1.036 3.776 114 HA ILE 13 HA ILE 13 -3.790 -0.235 2.788 115 HB ILE 13 HB ILE 13 -3.232 0.154 5.024 116 HG12 ILE 13 2HG1 ILE 13 -5.003 -0.860 6.800 117 HG13 ILE 13 1HG1 ILE 13 -5.058 -2.125 5.583 118 HG21 ILE 13 1HG2 ILE 13 -6.218 0.408 5.195 119 HG22 ILE 13 2HG2 ILE 13 -5.295 1.383 4.051 120 HG23 ILE 13 3HG2 ILE 13 -4.982 1.520 5.782 121 HD11 ILE 13 3HD1 ILE 13 -2.788 -1.267 7.324 122 HD12 ILE 13 1HD1 ILE 13 -2.403 -1.884 5.718 123 HD13 ILE 13 2HD1 ILE 13 -3.289 -2.891 6.860 124 H GLY 14 H GLY 14 -5.156 -3.161 4.166 125 HA2 GLY 14 2HA GLY 14 -2.869 -4.653 4.661 126 HA3 GLY 14 1HA GLY 14 -4.409 -5.340 4.152 127 H LYS 15 H LYS 15 -4.712 -4.378 1.618 128 HA LYS 15 HA LYS 15 -2.850 -6.020 0.155 129 HB2 LYS 15 2HB LYS 15 -4.874 -4.094 -0.996 130 HB3 LYS 15 1HB LYS 15 -4.169 -5.508 -1.776 131 HG2 LYS 15 2HG LYS 15 -5.771 -6.844 -0.909 132 HG3 LYS 15 1HG LYS 15 -5.389 -6.304 0.724 133 HD2 LYS 15 2HD LYS 15 -6.822 -4.334 0.430 134 HD3 LYS 15 1HD LYS 15 -7.175 -4.822 -1.226 135 HE2 LYS 15 2HE LYS 15 -8.934 -5.458 0.512 136 HE3 LYS 15 1HE LYS 15 -8.347 -6.777 -0.501 137 HZ1 LYS 15 3HZ LYS 15 -7.121 -7.666 1.203 138 HZ2 LYS 15 1HZ LYS 15 -8.457 -7.065 2.057 139 HZ3 LYS 15 2HZ LYS 15 -6.998 -6.195 2.044 140 H GLU 16 H GLU 16 -3.579 -2.533 0.221 141 HA GLU 16 HA GLU 16 -1.589 -1.763 -1.629 142 HB2 GLU 16 2HB GLU 16 -3.088 -0.308 0.538 143 HB3 GLU 16 1HB GLU 16 -1.827 0.500 -0.392 144 HG2 GLU 16 2HG GLU 16 -4.154 0.777 -1.335 145 HG3 GLU 16 1HG GLU 16 -2.984 0.096 -2.463 146 H PHE 17 H PHE 17 -1.550 -1.710 1.947 147 HA PHE 17 HA PHE 17 0.989 -0.707 2.351 148 HB2 PHE 17 2HB PHE 17 -0.650 -1.229 4.154 149 HB3 PHE 17 1HB PHE 17 -0.271 -2.941 3.954 150 HD1 PHE 17 2HD PHE 17 1.910 -3.838 4.602 151 HD2 PHE 17 1HD PHE 17 0.979 0.327 5.096 152 HE1 PHE 17 2HE PHE 17 3.887 -3.570 6.075 153 HE2 PHE 17 1HE PHE 17 2.957 0.594 6.568 154 HZ PHE 17 HZ PHE 17 4.412 -1.355 7.058 155 H LYS 18 H LYS 18 0.050 -4.076 1.721 156 HA LYS 18 HA LYS 18 2.590 -5.239 1.989 157 HB2 LYS 18 2HB LYS 18 0.418 -6.479 1.776 158 HB3 LYS 18 1HB LYS 18 0.430 -6.098 0.054 159 HG2 LYS 18 2HG LYS 18 2.384 -7.378 -0.338 160 HG3 LYS 18 1HG LYS 18 2.786 -7.443 1.377 161 HD2 LYS 18 2HD LYS 18 1.881 -9.595 0.748 162 HD3 LYS 18 1HD LYS 18 0.682 -8.774 1.748 163 HE2 LYS 18 2HE LYS 18 -0.643 -8.188 -0.148 164 HE3 LYS 18 1HE LYS 18 0.646 -8.615 -1.271 165 HZ1 LYS 18 3HZ LYS 18 -0.535 -10.611 0.560 166 HZ2 LYS 18 1HZ LYS 18 0.361 -10.875 -0.857 167 HZ3 LYS 18 2HZ LYS 18 -1.226 -10.278 -0.957 168 H ARG 19 H ARG 19 0.951 -3.970 -0.911 169 HA ARG 19 HA ARG 19 3.087 -4.477 -2.700 170 HB2 ARG 19 2HB ARG 19 0.723 -2.610 -2.757 171 HB3 ARG 19 1HB ARG 19 1.918 -2.607 -4.052 172 HG2 ARG 19 2HG ARG 19 0.764 -5.236 -3.179 173 HG3 ARG 19 1HG ARG 19 -0.219 -4.177 -4.191 174 HD2 ARG 19 2HD ARG 19 1.601 -4.073 -5.855 175 HD3 ARG 19 1HD ARG 19 2.583 -5.134 -4.849 176 HE ARG 19 HE ARG 19 0.280 -6.555 -5.230 177 HH11 ARG 19 1HH2 ARG 19 2.562 -4.948 -7.278 178 HH12 ARG 19 2HH2 ARG 19 2.338 -6.033 -8.610 179 HH21 ARG 19 1HH1 ARG 19 -0.017 -7.982 -6.973 180 HH22 ARG 19 2HH1 ARG 19 0.879 -7.750 -8.436 181 H ILE 20 H ILE 20 2.289 -1.757 -0.612 182 HA ILE 20 HA ILE 20 4.151 0.103 -1.622 183 HB ILE 20 HB ILE 20 2.832 -0.266 1.062 184 HG12 ILE 20 2HG1 ILE 20 2.654 1.993 -0.947 185 HG13 ILE 20 1HG1 ILE 20 1.600 0.581 -1.004 186 HG21 ILE 20 1HG2 ILE 20 4.879 0.743 1.705 187 HG22 ILE 20 2HG2 ILE 20 3.766 2.096 1.506 188 HG23 ILE 20 3HG2 ILE 20 4.945 1.732 0.245 189 HD11 ILE 20 3HD1 ILE 20 0.532 1.133 1.001 190 HD12 ILE 20 1HD1 ILE 20 0.814 2.724 0.296 191 HD13 ILE 20 2HD1 ILE 20 1.879 2.121 1.564 192 H VAL 21 H VAL 21 4.419 -2.239 1.053 193 HA VAL 21 HA VAL 21 7.004 -1.666 1.889 194 HB VAL 21 HB VAL 21 5.549 -4.315 1.759 195 HG11 VAL 21 1HG1 VAL 21 7.854 -4.887 1.922 196 HG12 VAL 21 2HG1 VAL 21 7.255 -4.916 3.579 197 HG13 VAL 21 3HG1 VAL 21 8.191 -3.536 3.005 198 HG21 VAL 21 3HG2 VAL 21 4.950 -3.870 4.018 199 HG22 VAL 21 1HG2 VAL 21 4.683 -2.342 3.176 200 HG23 VAL 21 2HG2 VAL 21 6.131 -2.567 4.157 201 H GLN 22 H GLN 22 5.946 -3.892 -0.679 202 HA GLN 22 HA GLN 22 8.586 -4.690 -1.413 203 HB2 GLN 22 2HB GLN 22 6.242 -5.788 -1.917 204 HB3 GLN 22 1HB GLN 22 6.296 -4.762 -3.350 205 HG2 GLN 22 2HG GLN 22 8.336 -6.845 -2.523 206 HG3 GLN 22 1HG GLN 22 7.269 -6.904 -3.924 207 HE21 GLN 22 1HE2 GLN 22 7.700 -5.317 -5.689 208 HE22 GLN 22 2HE2 GLN 22 9.250 -4.644 -5.854 209 H ARG 23 H ARG 23 6.315 -2.259 -2.630 210 HA ARG 23 HA ARG 23 7.798 -1.430 -4.874 211 HB2 ARG 23 2HB ARG 23 5.401 -0.835 -4.336 212 HB3 ARG 23 1HB ARG 23 6.029 0.334 -3.173 213 HG2 ARG 23 2HG ARG 23 7.376 1.357 -5.036 214 HG3 ARG 23 1HG ARG 23 6.540 0.285 -6.159 215 HD2 ARG 23 2HD ARG 23 4.436 1.369 -4.765 216 HD3 ARG 23 1HD ARG 23 5.562 2.721 -4.799 217 HE ARG 23 HE ARG 23 3.939 2.052 -6.903 218 HH11 ARG 23 1HH2 ARG 23 7.370 2.185 -6.407 219 HH12 ARG 23 2HH2 ARG 23 7.732 2.443 -8.078 220 HH21 ARG 23 1HH1 ARG 23 4.419 2.398 -9.084 221 HH22 ARG 23 2HH1 ARG 23 6.066 2.567 -9.590 222 H ILE 24 H ILE 24 7.866 -0.366 -1.493 223 HA ILE 24 HA ILE 24 9.600 1.825 -1.808 224 HB ILE 24 HB ILE 24 9.088 -0.031 0.521 225 HG12 ILE 24 2HG1 ILE 24 8.392 2.893 0.165 226 HG13 ILE 24 1HG1 ILE 24 7.319 1.600 -0.373 227 HG21 ILE 24 1HG2 ILE 24 11.280 0.784 0.952 228 HG22 ILE 24 2HG2 ILE 24 10.214 1.877 1.834 229 HG23 ILE 24 3HG2 ILE 24 10.904 2.375 0.288 230 HD11 ILE 24 3HD1 ILE 24 6.745 2.384 1.913 231 HD12 ILE 24 1HD1 ILE 24 8.361 1.930 2.456 232 HD13 ILE 24 2HD1 ILE 24 7.235 0.689 1.902 233 H LYS 25 H LYS 25 10.359 -1.540 -0.868 234 HA LYS 25 HA LYS 25 13.094 -1.350 -0.629 235 HB2 LYS 25 2HB LYS 25 11.412 -3.404 -0.454 236 HB3 LYS 25 1HB LYS 25 11.993 -3.722 -2.086 237 HG2 LYS 25 2HG LYS 25 13.575 -4.892 -0.849 238 HG3 LYS 25 1HG LYS 25 14.370 -3.322 -0.970 239 HD2 LYS 25 2HD LYS 25 13.258 -2.714 1.234 240 HD3 LYS 25 1HD LYS 25 12.779 -4.406 1.366 241 HE2 LYS 25 2HE LYS 25 15.610 -3.340 1.173 242 HE3 LYS 25 1HE LYS 25 14.863 -4.094 2.580 243 HZ1 LYS 25 3HZ LYS 25 16.280 -5.618 1.282 244 HZ2 LYS 25 1HZ LYS 25 15.232 -5.439 -0.040 245 HZ3 LYS 25 2HZ LYS 25 14.670 -6.147 1.399 246 H ASP 26 H ASP 26 11.162 -1.551 -3.569 247 HA ASP 26 HA ASP 26 13.416 -1.798 -5.333 248 HB2 ASP 26 2HB ASP 26 10.945 -2.447 -5.766 249 HB3 ASP 26 1HB ASP 26 10.713 -0.741 -6.136 250 H PHE 27 H PHE 27 11.626 0.812 -3.875 251 HA PHE 27 HA PHE 27 12.304 2.924 -5.577 252 HB2 PHE 27 2HB PHE 27 10.705 2.906 -3.558 253 HB3 PHE 27 1HB PHE 27 12.138 3.230 -2.586 254 HD1 PHE 27 1HD PHE 27 10.509 4.425 -5.748 255 HD2 PHE 27 2HD PHE 27 12.727 5.462 -2.218 256 HE1 PHE 27 1HE PHE 27 10.382 6.822 -6.372 257 HE2 PHE 27 2HE PHE 27 12.599 7.859 -2.843 258 HZ PHE 27 HZ PHE 27 11.427 8.538 -4.921 259 H LEU 28 H LEU 28 14.002 1.858 -2.595 260 HA LEU 28 HA LEU 28 16.104 3.652 -2.663 261 HB2 LEU 28 2HB LEU 28 16.325 0.726 -1.918 262 HB3 LEU 28 1HB LEU 28 17.394 2.023 -1.400 263 HG LEU 28 HG LEU 28 15.899 1.648 0.412 264 HD11 LEU 28 1HD1 LEU 28 14.932 3.775 0.718 265 HD12 LEU 28 2HD1 LEU 28 14.585 3.959 -1.000 266 HD13 LEU 28 3HD1 LEU 28 16.248 4.064 -0.420 267 HD21 LEU 28 3HD2 LEU 28 13.377 2.180 -1.007 268 HD22 LEU 28 1HD2 LEU 28 13.737 0.994 0.243 269 HD23 LEU 28 2HD2 LEU 28 14.144 0.651 -1.437 270 H ARG 29 H ARG 29 15.678 0.686 -4.522 271 HA ARG 29 HA ARG 29 18.305 0.768 -5.683 272 HB2 ARG 29 2HB ARG 29 16.864 -1.305 -5.414 273 HB3 ARG 29 1HB ARG 29 15.886 -0.697 -6.749 274 HG2 ARG 29 2HG ARG 29 17.404 -2.034 -7.900 275 HG3 ARG 29 1HG ARG 29 18.223 -0.475 -7.966 276 HD2 ARG 29 2HD ARG 29 19.961 -1.789 -7.192 277 HD3 ARG 29 1HD ARG 29 19.250 -1.315 -5.653 278 HE ARG 29 HE ARG 29 17.920 -3.614 -6.303 279 HH11 ARG 29 1HH2 ARG 29 21.236 -2.661 -6.042 280 HH12 ARG 29 2HH2 ARG 29 21.793 -4.229 -5.562 281 HH21 ARG 29 1HH1 ARG 29 18.644 -5.674 -5.675 282 HH22 ARG 29 2HH1 ARG 29 20.326 -5.934 -5.355 283 H ASN 30 H ASN 30 15.172 2.091 -6.461 284 HA ASN 30 HA ASN 30 16.116 2.959 -9.110 285 HB2 ASN 30 2HB ASN 30 13.389 2.924 -7.813 286 HB3 ASN 30 1HB ASN 30 13.710 3.717 -9.355 287 HD21 ASN 30 1HD2 ASN 30 14.634 0.540 -7.888 288 HD22 ASN 30 2HD2 ASN 30 14.202 -0.370 -9.254 289 H LEU 31 H LEU 31 16.362 4.079 -6.058 290 HA LEU 31 HA LEU 31 15.439 6.761 -6.286 291 HB2 LEU 31 2HB LEU 31 16.989 5.174 -4.365 292 HB3 LEU 31 1HB LEU 31 17.529 6.848 -4.459 293 HG LEU 31 HG LEU 31 14.663 5.957 -4.005 294 HD11 LEU 31 1HD1 LEU 31 14.973 6.263 -1.746 295 HD12 LEU 31 2HD1 LEU 31 16.208 7.499 -1.971 296 HD13 LEU 31 3HD1 LEU 31 16.622 5.798 -2.157 297 HD21 LEU 31 3HD2 LEU 31 14.242 8.047 -4.815 298 HD22 LEU 31 1HD2 LEU 31 15.926 8.549 -4.664 299 HD23 LEU 31 2HD2 LEU 31 14.859 8.606 -3.262 300 H VAL 32 H VAL 32 17.983 5.134 -7.769 301 HA VAL 32 HA VAL 32 19.614 7.559 -8.092 302 HB VAL 32 HB VAL 32 21.108 5.835 -9.355 303 HG11 VAL 32 1HG1 VAL 32 20.627 5.701 -6.363 304 HG12 VAL 32 2HG1 VAL 32 21.695 6.829 -7.197 305 HG13 VAL 32 3HG1 VAL 32 22.073 5.107 -7.181 306 HG21 VAL 32 3HG2 VAL 32 19.373 3.997 -7.673 307 HG22 VAL 32 1HG2 VAL 32 20.777 3.523 -8.629 308 HG23 VAL 32 2HG2 VAL 32 19.314 4.091 -9.432 309 HA PRO 33 HA PRO 33 17.475 7.776 -12.084 310 HB2 PRO 33 2HB PRO 33 17.916 10.398 -12.567 311 HB3 PRO 33 1HB PRO 33 16.715 9.855 -11.378 312 HG2 PRO 33 2HG PRO 33 19.459 10.921 -10.943 313 HG3 PRO 33 1HG PRO 33 17.981 11.189 -10.004 314 HD2 PRO 33 2HD PRO 33 19.993 9.385 -9.314 315 HD3 PRO 33 1HD PRO 33 18.319 9.317 -8.717 316 H ARG 34 H ARG 34 20.730 8.919 -11.351 317 HA ARG 34 HA ARG 34 21.772 9.441 -13.846 318 HB2 ARG 34 2HB ARG 34 23.162 7.949 -11.606 319 HB3 ARG 34 1HB ARG 34 23.950 8.804 -12.932 320 HG2 ARG 34 2HG ARG 34 23.186 10.923 -12.160 321 HG3 ARG 34 1HG ARG 34 22.024 10.185 -11.058 322 HD2 ARG 34 2HD ARG 34 24.014 11.010 -9.845 323 HD3 ARG 34 1HD ARG 34 23.859 9.260 -9.714 324 HE ARG 34 HE ARG 34 25.486 9.608 -11.885 325 HH11 ARG 34 1HH2 ARG 34 25.463 10.713 -8.605 326 HH12 ARG 34 2HH2 ARG 34 27.189 10.800 -8.477 327 HH21 ARG 34 1HH1 ARG 34 27.749 9.719 -11.724 328 HH22 ARG 34 2HH1 ARG 34 28.482 10.237 -10.243 329 H THR 35 H THR 35 20.440 6.526 -12.776 330 HA THR 35 HA THR 35 22.043 4.734 -14.360 331 HB THR 35 HB THR 35 19.270 4.021 -13.492 332 HG1 THR 35 1HG THR 35 20.982 3.628 -11.497 333 HG21 THR 35 3HG2 THR 35 20.169 1.880 -13.277 334 HG22 THR 35 1HG2 THR 35 21.795 2.485 -12.967 335 HG23 THR 35 2HG2 THR 35 21.137 2.525 -14.603 336 H GLU 36 H GLU 36 19.743 3.235 -15.384 337 HA GLU 36 HA GLU 36 19.644 4.291 -17.998 338 HB2 GLU 36 2HB GLU 36 17.903 2.233 -16.625 339 HB3 GLU 36 1HB GLU 36 17.853 2.579 -18.355 340 HG2 GLU 36 2HG GLU 36 20.051 1.792 -18.700 341 HG3 GLU 36 1HG GLU 36 20.451 1.897 -16.986 342 H SER 37 H SER 37 18.026 5.360 -19.124 343 HA SER 37 HA SER 37 16.346 7.096 -17.530 344 HB2 SER 37 2HB SER 37 17.486 7.981 -19.507 345 HB3 SER 37 1HB SER 37 16.647 6.819 -20.530 346 HG SER 37 HG SER 37 15.823 9.184 -19.930 Start of MODEL 3 1 H1 LEU 1 1HT LEU 1 -25.580 2.153 5.862 2 H2 LEU 1 2HT LEU 1 -24.736 3.200 4.823 3 H3 LEU 1 3HT LEU 1 -24.476 3.271 6.501 4 HA LEU 1 HA LEU 1 -23.599 0.979 6.430 5 HB2 LEU 1 2HB LEU 1 -22.872 0.300 4.049 6 HB3 LEU 1 1HB LEU 1 -24.571 0.081 4.465 7 HG LEU 1 HG LEU 1 -23.813 2.728 3.316 8 HD11 LEU 1 2HD1 LEU 1 -23.838 0.143 1.740 9 HD12 LEU 1 3HD1 LEU 1 -22.551 1.346 1.815 10 HD13 LEU 1 1HD1 LEU 1 -24.066 1.724 0.994 11 HD21 LEU 1 1HD2 LEU 1 -26.087 0.893 2.548 12 HD22 LEU 1 2HD2 LEU 1 -26.015 2.653 2.448 13 HD23 LEU 1 3HD2 LEU 1 -26.156 1.864 4.018 14 H LEU 2 H LEU 2 -22.914 3.796 6.729 15 HA LEU 2 HA LEU 2 -20.534 4.320 5.230 16 HB2 LEU 2 2HB LEU 2 -22.161 5.946 6.570 17 HB3 LEU 2 1HB LEU 2 -21.020 5.627 7.873 18 HG LEU 2 HG LEU 2 -20.330 7.622 6.637 19 HD11 LEU 2 1HD1 LEU 2 -18.072 7.064 6.414 20 HD12 LEU 2 2HD1 LEU 2 -18.424 5.485 5.727 21 HD13 LEU 2 3HD1 LEU 2 -18.665 5.767 7.448 22 HD21 LEU 2 3HD2 LEU 2 -19.672 6.136 4.150 23 HD22 LEU 2 1HD2 LEU 2 -20.275 7.779 4.356 24 HD23 LEU 2 2HD2 LEU 2 -21.391 6.417 4.425 25 H GLY 3 H GLY 3 -21.216 3.146 8.477 26 HA2 GLY 3 2HA GLY 3 -18.593 2.943 9.435 27 HA3 GLY 3 1HA GLY 3 -19.927 1.902 9.940 28 H ASP 4 H ASP 4 -20.485 0.881 7.321 29 HA ASP 4 HA ASP 4 -18.616 -1.294 7.236 30 HB2 ASP 4 2HB ASP 4 -21.093 -1.403 6.682 31 HB3 ASP 4 1HB ASP 4 -20.704 -0.599 5.165 32 H PHE 5 H PHE 5 -19.127 1.671 5.473 33 HA PHE 5 HA PHE 5 -17.468 1.125 3.228 34 HB2 PHE 5 2HB PHE 5 -19.145 2.958 3.346 35 HB3 PHE 5 1HB PHE 5 -18.128 3.774 4.513 36 HD1 PHE 5 2HD PHE 5 -17.614 2.068 1.203 37 HD2 PHE 5 1HD PHE 5 -16.862 5.515 3.653 38 HE1 PHE 5 2HE PHE 5 -16.287 3.082 -0.626 39 HE2 PHE 5 1HE PHE 5 -15.537 6.528 1.826 40 HZ PHE 5 HZ PHE 5 -15.247 5.312 -0.319 41 H PHE 6 H PHE 6 -16.978 2.919 6.210 42 HA PHE 6 HA PHE 6 -14.286 3.607 5.866 43 HB2 PHE 6 2HB PHE 6 -16.182 3.405 8.131 44 HB3 PHE 6 1HB PHE 6 -14.476 3.318 8.571 45 HD1 PHE 6 1HD PHE 6 -16.092 5.172 5.759 46 HD2 PHE 6 2HD PHE 6 -13.998 5.439 9.496 47 HE1 PHE 6 1HE PHE 6 -15.895 7.628 5.473 48 HE2 PHE 6 2HE PHE 6 -13.800 7.895 9.214 49 HZ PHE 6 HZ PHE 6 -14.748 8.990 7.201 50 H ARG 7 H ARG 7 -15.685 0.809 7.582 51 HA ARG 7 HA ARG 7 -13.291 -0.431 8.318 52 HB2 ARG 7 2HB ARG 7 -15.914 -1.739 7.556 53 HB3 ARG 7 1HB ARG 7 -14.616 -2.496 8.477 54 HG2 ARG 7 2HG ARG 7 -15.604 0.123 9.502 55 HG3 ARG 7 1HG ARG 7 -16.709 -1.241 9.654 56 HD2 ARG 7 2HD ARG 7 -14.912 -2.545 10.770 57 HD3 ARG 7 1HD ARG 7 -13.855 -1.138 10.671 58 HE ARG 7 HE ARG 7 -16.069 -0.184 11.953 59 HH11 ARG 7 1HH2 ARG 7 -13.936 -2.874 12.387 60 HH12 ARG 7 2HH2 ARG 7 -14.115 -2.916 14.109 61 HH21 ARG 7 1HH1 ARG 7 -16.309 -0.231 14.211 62 HH22 ARG 7 2HH1 ARG 7 -15.459 -1.419 15.142 63 H LYS 8 H LYS 8 -15.080 -0.492 5.286 64 HA LYS 8 HA LYS 8 -13.628 -2.610 4.069 65 HB2 LYS 8 2HB LYS 8 -15.882 -1.549 3.363 66 HB3 LYS 8 1HB LYS 8 -14.891 -0.343 2.541 67 HG2 LYS 8 2HG LYS 8 -13.804 -2.058 1.212 68 HG3 LYS 8 1HG LYS 8 -14.616 -3.334 2.121 69 HD2 LYS 8 2HD LYS 8 -16.819 -2.316 1.359 70 HD3 LYS 8 1HD LYS 8 -15.878 -1.309 0.259 71 HE2 LYS 8 2HE LYS 8 -15.035 -3.223 -0.914 72 HE3 LYS 8 1HE LYS 8 -15.658 -4.327 0.313 73 HZ1 LYS 8 3HZ LYS 8 -17.009 -4.087 -1.791 74 HZ2 LYS 8 1HZ LYS 8 -17.431 -2.540 -1.240 75 HZ3 LYS 8 2HZ LYS 8 -17.853 -3.910 -0.327 76 H SER 9 H SER 9 -13.319 0.933 3.868 77 HA SER 9 HA SER 9 -11.169 1.028 2.075 78 HB2 SER 9 2HB SER 9 -11.546 2.960 4.360 79 HB3 SER 9 1HB SER 9 -10.860 3.276 2.768 80 HG SER 9 HG SER 9 -12.817 3.746 2.192 81 H LYS 10 H LYS 10 -11.254 0.582 5.572 82 HA LYS 10 HA LYS 10 -8.588 0.934 6.221 83 HB2 LYS 10 2HB LYS 10 -10.883 -0.236 7.439 84 HB3 LYS 10 1HB LYS 10 -9.566 -1.395 7.603 85 HG2 LYS 10 2HG LYS 10 -9.384 0.006 9.512 86 HG3 LYS 10 1HG LYS 10 -8.139 0.592 8.409 87 HD2 LYS 10 2HD LYS 10 -9.965 2.230 7.553 88 HD3 LYS 10 1HD LYS 10 -10.822 1.821 9.040 89 HE2 LYS 10 2HE LYS 10 -7.979 2.870 8.920 90 HE3 LYS 10 1HE LYS 10 -9.396 3.847 9.298 91 HZ1 LYS 10 3HZ LYS 10 -9.696 2.810 11.300 92 HZ2 LYS 10 1HZ LYS 10 -8.004 2.776 11.193 93 HZ3 LYS 10 2HZ LYS 10 -8.905 1.385 10.821 94 H GLU 11 H GLU 11 -10.169 -1.947 4.870 95 HA GLU 11 HA GLU 11 -7.786 -3.519 4.852 96 HB2 GLU 11 2HB GLU 11 -10.341 -3.861 3.270 97 HB3 GLU 11 1HB GLU 11 -9.079 -5.079 3.456 98 HG2 GLU 11 2HG GLU 11 -10.381 -3.837 5.875 99 HG3 GLU 11 1HG GLU 11 -11.144 -5.187 5.039 100 H LYS 12 H LYS 12 -9.354 -1.404 2.554 101 HA LYS 12 HA LYS 12 -7.984 -2.115 0.230 102 HB2 LYS 12 2HB LYS 12 -9.076 0.546 1.148 103 HB3 LYS 12 1HB LYS 12 -8.382 0.300 -0.451 104 HG2 LYS 12 2HG LYS 12 -10.505 -1.588 0.534 105 HG3 LYS 12 1HG LYS 12 -10.977 -0.007 -0.086 106 HD2 LYS 12 2HD LYS 12 -9.611 -0.524 -2.162 107 HD3 LYS 12 1HD LYS 12 -9.446 -2.172 -1.552 108 HE2 LYS 12 2HE LYS 12 -11.909 -0.745 -2.508 109 HE3 LYS 12 1HE LYS 12 -11.342 -2.369 -2.896 110 HZ1 LYS 12 3HZ LYS 12 -12.595 -1.426 -0.385 111 HZ2 LYS 12 1HZ LYS 12 -11.758 -2.897 -0.483 112 HZ3 LYS 12 2HZ LYS 12 -13.140 -2.644 -1.437 113 H ILE 13 H ILE 13 -6.920 -0.223 3.000 114 HA ILE 13 HA ILE 13 -4.609 0.814 1.655 115 HB ILE 13 HB ILE 13 -4.273 2.031 3.536 116 HG12 ILE 13 2HG1 ILE 13 -5.174 -0.284 5.269 117 HG13 ILE 13 1HG1 ILE 13 -3.500 0.044 4.843 118 HG21 ILE 13 1HG2 ILE 13 -6.303 2.635 4.566 119 HG22 ILE 13 2HG2 ILE 13 -6.947 0.999 4.448 120 HG23 ILE 13 3HG2 ILE 13 -6.790 1.991 2.999 121 HD11 ILE 13 3HD1 ILE 13 -5.346 1.883 6.383 122 HD12 ILE 13 1HD1 ILE 13 -3.714 2.305 5.865 123 HD13 ILE 13 2HD1 ILE 13 -3.960 1.004 7.030 124 H GLY 14 H GLY 14 -5.159 -1.690 4.115 125 HA2 GLY 14 2HA GLY 14 -2.626 -2.625 4.536 126 HA3 GLY 14 1HA GLY 14 -4.034 -3.681 4.479 127 H LYS 15 H LYS 15 -4.646 -3.132 1.687 128 HA LYS 15 HA LYS 15 -2.878 -5.074 0.507 129 HB2 LYS 15 2HB LYS 15 -5.347 -4.879 0.022 130 HB3 LYS 15 1HB LYS 15 -4.987 -3.410 -0.884 131 HG2 LYS 15 2HG LYS 15 -3.302 -5.751 -1.588 132 HG3 LYS 15 1HG LYS 15 -5.010 -5.916 -1.988 133 HD2 LYS 15 2HD LYS 15 -4.987 -4.056 -3.425 134 HD3 LYS 15 1HD LYS 15 -3.515 -3.401 -2.711 135 HE2 LYS 15 2HE LYS 15 -3.415 -4.649 -5.040 136 HE3 LYS 15 1HE LYS 15 -2.134 -4.890 -3.850 137 HZ1 LYS 15 3HZ LYS 15 -3.415 -6.895 -4.973 138 HZ2 LYS 15 1HZ LYS 15 -4.466 -6.633 -3.669 139 HZ3 LYS 15 2HZ LYS 15 -2.826 -6.975 -3.382 140 H GLU 16 H GLU 16 -3.584 -1.621 -0.157 141 HA GLU 16 HA GLU 16 -1.529 -1.419 -2.135 142 HB2 GLU 16 2HB GLU 16 -2.177 0.797 -2.368 143 HB3 GLU 16 1HB GLU 16 -3.654 0.076 -1.729 144 HG2 GLU 16 2HG GLU 16 -2.706 0.685 0.596 145 HG3 GLU 16 1HG GLU 16 -1.599 1.728 -0.279 146 H PHE 17 H PHE 17 -1.702 -0.985 1.332 147 HA PHE 17 HA PHE 17 0.756 0.425 1.610 148 HB2 PHE 17 2HB PHE 17 -1.250 -0.043 3.322 149 HB3 PHE 17 1HB PHE 17 -0.183 -1.356 3.812 150 HD1 PHE 17 1HD PHE 17 -0.320 2.327 3.235 151 HD2 PHE 17 2HD PHE 17 1.751 -0.928 5.124 152 HE1 PHE 17 1HE PHE 17 1.062 3.945 4.505 153 HE2 PHE 17 2HE PHE 17 3.133 0.690 6.394 154 HZ PHE 17 HZ PHE 17 2.792 3.127 6.085 155 H LYS 18 H LYS 18 -0.143 -2.968 1.433 156 HA LYS 18 HA LYS 18 2.354 -4.043 2.264 157 HB2 LYS 18 2HB LYS 18 0.124 -5.281 2.002 158 HB3 LYS 18 1HB LYS 18 0.488 -5.338 0.277 159 HG2 LYS 18 2HG LYS 18 2.515 -6.573 0.657 160 HG3 LYS 18 1HG LYS 18 2.415 -6.317 2.398 161 HD2 LYS 18 2HD LYS 18 1.604 -8.504 2.142 162 HD3 LYS 18 1HD LYS 18 0.129 -7.544 2.226 163 HE2 LYS 18 2HE LYS 18 -0.079 -7.558 -0.198 164 HE3 LYS 18 1HE LYS 18 1.476 -8.373 -0.361 165 HZ1 LYS 18 3HZ LYS 18 0.079 -9.952 1.360 166 HZ2 LYS 18 1HZ LYS 18 0.315 -10.250 -0.293 167 HZ3 LYS 18 2HZ LYS 18 -1.098 -9.468 0.235 168 H ARG 19 H ARG 19 1.106 -2.739 -0.711 169 HA ARG 19 HA ARG 19 3.096 -3.743 -2.472 170 HB2 ARG 19 2HB ARG 19 0.882 -2.755 -3.153 171 HB3 ARG 19 1HB ARG 19 1.542 -1.167 -2.764 172 HG2 ARG 19 2HG ARG 19 3.225 -1.343 -4.448 173 HG3 ARG 19 1HG ARG 19 2.917 -3.065 -4.674 174 HD2 ARG 19 2HD ARG 19 1.900 -1.289 -6.357 175 HD3 ARG 19 1HD ARG 19 0.967 -2.703 -5.876 176 HE ARG 19 HE ARG 19 0.299 -0.823 -4.009 177 HH11 ARG 19 1HH2 ARG 19 0.361 -0.961 -7.465 178 HH12 ARG 19 2HH2 ARG 19 -0.967 0.132 -7.671 179 HH21 ARG 19 1HH1 ARG 19 -1.443 0.611 -4.269 180 HH22 ARG 19 2HH1 ARG 19 -1.988 1.022 -5.861 181 H ILE 20 H ILE 20 2.837 -0.687 -0.630 182 HA ILE 20 HA ILE 20 5.138 0.522 -1.689 183 HB ILE 20 HB ILE 20 5.113 2.001 0.217 184 HG12 ILE 20 2HG1 ILE 20 2.891 0.708 1.650 185 HG13 ILE 20 1HG1 ILE 20 4.389 -0.203 1.731 186 HG21 ILE 20 1HG2 ILE 20 3.339 2.232 -1.499 187 HG22 ILE 20 2HG2 ILE 20 2.801 2.777 0.089 188 HG23 ILE 20 3HG2 ILE 20 2.287 1.205 -0.525 189 HD11 ILE 20 3HD1 ILE 20 5.575 1.684 2.640 190 HD12 ILE 20 1HD1 ILE 20 4.092 1.495 3.574 191 HD13 ILE 20 2HD1 ILE 20 4.203 2.752 2.343 192 H VAL 21 H VAL 21 4.751 -1.886 0.830 193 HA VAL 21 HA VAL 21 7.323 -1.744 1.970 194 HB VAL 21 HB VAL 21 5.484 -4.125 1.633 195 HG11 VAL 21 1HG1 VAL 21 6.820 -4.934 3.661 196 HG12 VAL 21 2HG1 VAL 21 7.998 -3.685 3.257 197 HG13 VAL 21 3HG1 VAL 21 7.661 -4.982 2.111 198 HG21 VAL 21 3HG2 VAL 21 5.909 -2.132 3.882 199 HG22 VAL 21 1HG2 VAL 21 4.931 -3.593 4.017 200 HG23 VAL 21 2HG2 VAL 21 4.455 -2.313 2.901 201 H GLN 22 H GLN 22 6.073 -3.756 -0.689 202 HA GLN 22 HA GLN 22 8.590 -4.976 -1.262 203 HB2 GLN 22 2HB GLN 22 6.458 -6.017 -1.903 204 HB3 GLN 22 1HB GLN 22 6.132 -4.678 -3.006 205 HG2 GLN 22 2HG GLN 22 7.998 -5.248 -4.395 206 HG3 GLN 22 1HG GLN 22 8.621 -6.386 -3.201 207 HE21 GLN 22 1HE2 GLN 22 5.320 -6.781 -3.118 208 HE22 GLN 22 2HE2 GLN 22 5.164 -8.038 -4.246 209 H ARG 23 H ARG 23 6.806 -2.245 -2.664 210 HA ARG 23 HA ARG 23 8.526 -1.702 -4.810 211 HB2 ARG 23 2HB ARG 23 6.318 -0.671 -4.602 212 HB3 ARG 23 1HB ARG 23 6.857 0.223 -3.181 213 HG2 ARG 23 2HG ARG 23 8.380 1.535 -4.441 214 HG3 ARG 23 1HG ARG 23 8.288 0.450 -5.830 215 HD2 ARG 23 2HD ARG 23 6.903 2.748 -5.732 216 HD3 ARG 23 1HD ARG 23 6.280 1.318 -6.552 217 HE ARG 23 HE ARG 23 5.387 1.023 -3.989 218 HH11 ARG 23 1HH2 ARG 23 5.274 3.538 -6.362 219 HH12 ARG 23 2HH2 ARG 23 3.756 4.171 -5.820 220 HH21 ARG 23 1HH1 ARG 23 3.396 1.846 -3.272 221 HH22 ARG 23 2HH1 ARG 23 2.693 3.214 -4.070 222 H ILE 24 H ILE 24 8.694 -0.750 -1.415 223 HA ILE 24 HA ILE 24 10.677 1.209 -1.572 224 HB ILE 24 HB ILE 24 9.883 -0.770 0.548 225 HG12 ILE 24 2HG1 ILE 24 10.005 2.235 0.749 226 HG13 ILE 24 1HG1 ILE 24 8.674 1.462 -0.109 227 HG21 ILE 24 1HG2 ILE 24 12.202 -0.636 1.007 228 HG22 ILE 24 2HG2 ILE 24 11.491 0.603 2.040 229 HG23 ILE 24 3HG2 ILE 24 12.285 1.061 0.534 230 HD11 ILE 24 3HD1 ILE 24 9.380 0.402 2.596 231 HD12 ILE 24 1HD1 ILE 24 7.807 0.509 1.805 232 HD13 ILE 24 2HD1 ILE 24 8.539 1.950 2.511 233 H LYS 25 H LYS 25 11.037 -2.312 -1.137 234 HA LYS 25 HA LYS 25 13.787 -2.490 -0.970 235 HB2 LYS 25 2HB LYS 25 12.133 -4.392 -2.636 236 HB3 LYS 25 1HB LYS 25 13.587 -4.745 -1.701 237 HG2 LYS 25 2HG LYS 25 12.253 -4.015 0.364 238 HG3 LYS 25 1HG LYS 25 10.822 -4.101 -0.666 239 HD2 LYS 25 2HD LYS 25 11.476 -6.468 -1.241 240 HD3 LYS 25 1HD LYS 25 12.737 -6.356 -0.014 241 HE2 LYS 25 2HE LYS 25 10.872 -5.662 1.610 242 HE3 LYS 25 1HE LYS 25 9.745 -6.222 0.375 243 HZ1 LYS 25 3HZ LYS 25 10.645 -7.830 2.216 244 HZ2 LYS 25 1HZ LYS 25 11.950 -7.987 1.146 245 HZ3 LYS 25 2HZ LYS 25 10.379 -8.377 0.630 246 H ASP 26 H ASP 26 11.772 -2.204 -3.872 247 HA ASP 26 HA ASP 26 13.987 -2.308 -5.698 248 HB2 ASP 26 2HB ASP 26 11.526 -2.878 -6.180 249 HB3 ASP 26 1HB ASP 26 11.275 -1.137 -6.294 250 H PHE 27 H PHE 27 12.161 0.225 -4.077 251 HA PHE 27 HA PHE 27 12.920 2.460 -5.533 252 HB2 PHE 27 2HB PHE 27 11.295 2.500 -3.672 253 HB3 PHE 27 1HB PHE 27 12.614 2.263 -2.528 254 HD1 PHE 27 2HD PHE 27 11.838 4.484 -5.462 255 HD2 PHE 27 1HD PHE 27 13.422 4.174 -1.480 256 HE1 PHE 27 2HE PHE 27 12.261 6.927 -5.439 257 HE2 PHE 27 1HE PHE 27 13.841 6.618 -1.457 258 HZ PHE 27 HZ PHE 27 13.262 7.994 -3.437 259 H LEU 28 H LEU 28 14.599 1.069 -2.704 260 HA LEU 28 HA LEU 28 16.762 2.792 -2.592 261 HB2 LEU 28 2HB LEU 28 16.493 -0.140 -1.952 262 HB3 LEU 28 1HB LEU 28 18.021 0.709 -1.726 263 HG LEU 28 HG LEU 28 16.650 2.443 -0.386 264 HD11 LEU 28 1HD1 LEU 28 14.709 0.118 -0.504 265 HD12 LEU 28 2HD1 LEU 28 14.415 1.776 -1.030 266 HD13 LEU 28 3HD1 LEU 28 14.610 1.416 0.684 267 HD21 LEU 28 3HD2 LEU 28 16.696 0.956 1.652 268 HD22 LEU 28 1HD2 LEU 28 18.195 0.950 0.722 269 HD23 LEU 28 2HD2 LEU 28 17.066 -0.397 0.584 270 H ARG 29 H ARG 29 16.284 -0.032 -4.668 271 HA ARG 29 HA ARG 29 18.909 0.148 -5.845 272 HB2 ARG 29 2HB ARG 29 16.444 -1.367 -6.740 273 HB3 ARG 29 1HB ARG 29 18.066 -1.570 -7.402 274 HG2 ARG 29 2HG ARG 29 18.804 -2.041 -4.977 275 HG3 ARG 29 1HG ARG 29 17.087 -2.231 -4.624 276 HD2 ARG 29 2HD ARG 29 17.036 -3.868 -6.608 277 HD3 ARG 29 1HD ARG 29 18.795 -3.856 -6.509 278 HE ARG 29 HE ARG 29 18.005 -4.394 -3.948 279 HH11 ARG 29 1HH2 ARG 29 17.329 -5.712 -7.074 280 HH12 ARG 29 2HH2 ARG 29 17.077 -7.324 -6.495 281 HH21 ARG 29 1HH1 ARG 29 17.675 -6.506 -3.178 282 HH22 ARG 29 2HH1 ARG 29 17.272 -7.773 -4.287 283 H ASN 30 H ASN 30 15.661 1.244 -6.659 284 HA ASN 30 HA ASN 30 16.560 2.307 -9.232 285 HB2 ASN 30 2HB ASN 30 13.872 2.174 -7.865 286 HB3 ASN 30 1HB ASN 30 14.132 3.047 -9.374 287 HD21 ASN 30 1HD2 ASN 30 12.374 1.008 -9.646 288 HD22 ASN 30 2HD2 ASN 30 13.085 -0.345 -10.383 289 H LEU 31 H LEU 31 16.905 3.300 -6.168 290 HA LEU 31 HA LEU 31 15.929 5.971 -6.214 291 HB2 LEU 31 2HB LEU 31 17.413 4.279 -4.411 292 HB3 LEU 31 1HB LEU 31 18.215 5.844 -4.527 293 HG LEU 31 HG LEU 31 15.233 5.596 -4.082 294 HD11 LEU 31 1HD1 LEU 31 17.448 5.118 -2.203 295 HD12 LEU 31 2HD1 LEU 31 15.734 4.740 -2.043 296 HD13 LEU 31 3HD1 LEU 31 16.317 6.355 -1.652 297 HD21 LEU 31 3HD2 LEU 31 17.291 7.795 -3.726 298 HD22 LEU 31 1HD2 LEU 31 15.648 7.901 -3.097 299 HD23 LEU 31 2HD2 LEU 31 15.920 7.782 -4.833 300 H VAL 32 H VAL 32 19.099 4.539 -6.929 301 HA VAL 32 HA VAL 32 20.549 6.854 -7.429 302 HB VAL 32 HB VAL 32 22.019 5.463 -8.788 303 HG11 VAL 32 1HG1 VAL 32 22.560 3.828 -7.135 304 HG12 VAL 32 2HG1 VAL 32 20.887 3.729 -6.583 305 HG13 VAL 32 3HG1 VAL 32 21.842 5.175 -6.251 306 HG21 VAL 32 3HG2 VAL 32 19.624 3.613 -8.792 307 HG22 VAL 32 1HG2 VAL 32 21.250 3.049 -9.175 308 HG23 VAL 32 2HG2 VAL 32 20.482 4.277 -10.182 309 HA PRO 33 HA PRO 33 18.686 8.575 -11.046 310 HB2 PRO 33 2HB PRO 33 20.890 9.813 -12.151 311 HB3 PRO 33 1HB PRO 33 19.983 10.463 -10.771 312 HG2 PRO 33 2HG PRO 33 22.539 8.935 -10.801 313 HG3 PRO 33 1HG PRO 33 22.065 10.314 -9.805 314 HD2 PRO 33 2HD PRO 33 22.049 7.774 -8.852 315 HD3 PRO 33 1HD PRO 33 20.886 8.999 -8.296 316 H ARG 34 H ARG 34 21.553 6.612 -11.197 317 HA ARG 34 HA ARG 34 20.597 5.065 -13.372 318 HB2 ARG 34 2HB ARG 34 21.870 5.742 -15.199 319 HB3 ARG 34 1HB ARG 34 21.410 7.279 -14.476 320 HG2 ARG 34 2HG ARG 34 24.049 5.876 -13.933 321 HG3 ARG 34 1HG ARG 34 23.830 7.152 -15.122 322 HD2 ARG 34 2HD ARG 34 22.925 8.609 -13.266 323 HD3 ARG 34 1HD ARG 34 23.447 7.362 -12.133 324 HE ARG 34 HE ARG 34 25.702 7.848 -13.558 325 HH11 ARG 34 1HH2 ARG 34 23.390 9.863 -11.953 326 HH12 ARG 34 2HH2 ARG 34 24.549 11.069 -11.502 327 HH21 ARG 34 1HH1 ARG 34 27.224 9.427 -12.974 328 HH22 ARG 34 2HH1 ARG 34 26.719 10.822 -12.080 329 H THR 35 H THR 35 21.584 3.124 -13.410 330 HA THR 35 HA THR 35 23.547 2.576 -11.376 331 HB THR 35 HB THR 35 22.761 0.471 -11.535 332 HG1 THR 35 1HG THR 35 22.634 0.285 -14.287 333 HG21 THR 35 3HG2 THR 35 20.963 1.478 -13.746 334 HG22 THR 35 1HG2 THR 35 20.701 1.852 -12.043 335 HG23 THR 35 2HG2 THR 35 20.631 0.181 -12.599 336 H GLU 36 H GLU 36 25.094 0.603 -12.501 337 HA GLU 36 HA GLU 36 27.049 2.183 -13.935 338 HB2 GLU 36 2HB GLU 36 27.042 -0.692 -12.993 339 HB3 GLU 36 1HB GLU 36 28.412 0.085 -13.790 340 HG2 GLU 36 2HG GLU 36 28.737 1.607 -12.015 341 HG3 GLU 36 1HG GLU 36 27.128 1.316 -11.355 342 H SER 37 H SER 37 26.752 2.502 -16.056 343 HA SER 37 HA SER 37 25.328 0.633 -17.720 344 HB2 SER 37 2HB SER 37 25.666 2.210 -19.480 345 HB3 SER 37 1HB SER 37 25.370 3.151 -18.021 346 HG SER 37 HG SER 37 27.333 3.523 -19.547 Start of MODEL 4 1 H1 LEU 1 1HT LEU 1 -23.103 6.092 3.086 2 H2 LEU 1 2HT LEU 1 -22.292 6.453 4.534 3 H3 LEU 1 3HT LEU 1 -23.743 5.571 4.568 4 HA LEU 1 HA LEU 1 -22.486 3.754 4.621 5 HB2 LEU 1 2HB LEU 1 -22.133 4.740 1.791 6 HB3 LEU 1 1HB LEU 1 -21.441 3.206 2.314 7 HG LEU 1 HG LEU 1 -23.724 2.996 1.273 8 HD11 LEU 1 2HD1 LEU 1 -24.066 2.193 4.133 9 HD12 LEU 1 3HD1 LEU 1 -22.673 1.546 3.268 10 HD13 LEU 1 1HD1 LEU 1 -24.302 1.250 2.664 11 HD21 LEU 1 1HD2 LEU 1 -24.498 5.196 2.353 12 HD22 LEU 1 2HD2 LEU 1 -24.734 4.257 3.828 13 HD23 LEU 1 3HD2 LEU 1 -25.648 3.860 2.374 14 H LEU 2 H LEU 2 -21.142 6.195 5.522 15 HA LEU 2 HA LEU 2 -18.423 6.083 4.625 16 HB2 LEU 2 2HB LEU 2 -19.807 8.023 5.818 17 HB3 LEU 2 1HB LEU 2 -19.135 7.281 7.266 18 HG LEU 2 HG LEU 2 -17.635 9.043 6.504 19 HD11 LEU 2 1HD1 LEU 2 -16.296 6.495 5.635 20 HD12 LEU 2 2HD1 LEU 2 -16.782 6.714 7.313 21 HD13 LEU 2 3HD1 LEU 2 -15.631 7.826 6.574 22 HD21 LEU 2 3HD2 LEU 2 -16.911 7.657 3.974 23 HD22 LEU 2 1HD2 LEU 2 -17.016 9.381 4.324 24 HD23 LEU 2 2HD2 LEU 2 -18.480 8.463 3.977 25 H GLY 3 H GLY 3 -20.170 4.953 7.462 26 HA2 GLY 3 2HA GLY 3 -18.033 3.882 8.914 27 HA3 GLY 3 1HA GLY 3 -19.688 3.271 8.972 28 H ASP 4 H ASP 4 -19.858 2.649 6.182 29 HA ASP 4 HA ASP 4 -18.712 0.017 6.199 30 HB2 ASP 4 2HB ASP 4 -20.911 0.712 5.121 31 HB3 ASP 4 1HB ASP 4 -19.948 1.440 3.838 32 H PHE 5 H PHE 5 -17.938 3.108 4.776 33 HA PHE 5 HA PHE 5 -16.006 2.250 2.876 34 HB2 PHE 5 2HB PHE 5 -17.103 4.509 2.977 35 HB3 PHE 5 1HB PHE 5 -16.106 4.862 4.374 36 HD1 PHE 5 1HD PHE 5 -13.563 4.711 4.145 37 HD2 PHE 5 2HD PHE 5 -16.239 4.770 0.788 38 HE1 PHE 5 1HE PHE 5 -11.694 5.385 2.671 39 HE2 PHE 5 2HE PHE 5 -14.368 5.443 -0.690 40 HZ PHE 5 HZ PHE 5 -12.093 5.751 0.248 41 H PHE 6 H PHE 6 -15.764 3.572 6.126 42 HA PHE 6 HA PHE 6 -12.981 3.406 6.431 43 HB2 PHE 6 2HB PHE 6 -15.334 3.726 8.195 44 HB3 PHE 6 1HB PHE 6 -13.891 3.084 8.980 45 HD1 PHE 6 1HD PHE 6 -14.262 5.517 6.151 46 HD2 PHE 6 2HD PHE 6 -12.923 4.856 10.175 47 HE1 PHE 6 1HE PHE 6 -13.266 7.788 6.193 48 HE2 PHE 6 2HE PHE 6 -11.929 7.127 10.220 49 HZ PHE 6 HZ PHE 6 -12.100 8.593 8.227 50 H ARG 7 H ARG 7 -15.541 1.065 7.220 51 HA ARG 7 HA ARG 7 -13.820 -0.883 8.362 52 HB2 ARG 7 2HB ARG 7 -16.530 -1.176 7.043 53 HB3 ARG 7 1HB ARG 7 -15.721 -2.445 7.963 54 HG2 ARG 7 2HG ARG 7 -16.084 0.252 9.235 55 HG3 ARG 7 1HG ARG 7 -17.466 -0.839 9.147 56 HD2 ARG 7 2HD ARG 7 -14.768 -1.554 10.331 57 HD3 ARG 7 1HD ARG 7 -16.192 -1.107 11.264 58 HE ARG 7 HE ARG 7 -17.068 -3.182 9.725 59 HH11 ARG 7 1HH2 ARG 7 -14.388 -2.651 11.849 60 HH12 ARG 7 2HH2 ARG 7 -14.288 -4.303 12.361 61 HH21 ARG 7 1HH1 ARG 7 -16.943 -5.351 10.393 62 HH22 ARG 7 2HH1 ARG 7 -15.735 -5.832 11.536 63 H LYS 8 H LYS 8 -14.981 -0.292 5.081 64 HA LYS 8 HA LYS 8 -13.797 -2.657 3.965 65 HB2 LYS 8 2HB LYS 8 -15.753 -1.255 3.026 66 HB3 LYS 8 1HB LYS 8 -14.503 -0.173 2.413 67 HG2 LYS 8 2HG LYS 8 -13.441 -2.087 1.243 68 HG3 LYS 8 1HG LYS 8 -14.739 -3.136 1.814 69 HD2 LYS 8 2HD LYS 8 -16.387 -1.935 0.558 70 HD3 LYS 8 1HD LYS 8 -15.254 -0.631 0.198 71 HE2 LYS 8 2HE LYS 8 -14.795 -3.484 -0.700 72 HE3 LYS 8 1HE LYS 8 -15.644 -2.297 -1.692 73 HZ1 LYS 8 3HZ LYS 8 -13.729 -0.896 -1.688 74 HZ2 LYS 8 1HZ LYS 8 -13.239 -2.449 -2.164 75 HZ3 LYS 8 2HZ LYS 8 -12.918 -1.904 -0.587 76 H SER 9 H SER 9 -12.911 0.770 4.136 77 HA SER 9 HA SER 9 -10.603 0.693 2.560 78 HB2 SER 9 2HB SER 9 -11.684 2.770 3.394 79 HB3 SER 9 1HB SER 9 -11.087 2.401 5.009 80 HG SER 9 HG SER 9 -9.745 3.293 2.749 81 H LYS 10 H LYS 10 -11.128 -0.143 5.933 82 HA LYS 10 HA LYS 10 -8.598 -0.243 6.972 83 HB2 LYS 10 2HB LYS 10 -10.790 -0.872 8.099 84 HB3 LYS 10 1HB LYS 10 -10.592 -2.470 7.380 85 HG2 LYS 10 2HG LYS 10 -8.213 -2.408 8.432 86 HG3 LYS 10 1HG LYS 10 -8.857 -1.104 9.431 87 HD2 LYS 10 2HD LYS 10 -9.999 -3.904 9.205 88 HD3 LYS 10 1HD LYS 10 -9.120 -3.251 10.587 89 HE2 LYS 10 2HE LYS 10 -10.900 -1.434 10.708 90 HE3 LYS 10 1HE LYS 10 -11.822 -2.381 9.540 91 HZ1 LYS 10 3HZ LYS 10 -10.894 -4.048 11.621 92 HZ2 LYS 10 1HZ LYS 10 -12.490 -3.728 11.144 93 HZ3 LYS 10 2HZ LYS 10 -11.728 -2.724 12.284 94 H GLU 11 H GLU 11 -10.172 -2.990 5.297 95 HA GLU 11 HA GLU 11 -7.770 -4.520 5.218 96 HB2 GLU 11 2HB GLU 11 -9.090 -5.949 3.595 97 HB3 GLU 11 1HB GLU 11 -9.830 -5.717 5.179 98 HG2 GLU 11 2HG GLU 11 -11.300 -4.001 4.313 99 HG3 GLU 11 1HG GLU 11 -10.472 -4.016 2.757 100 H LYS 12 H LYS 12 -9.226 -2.214 3.049 101 HA LYS 12 HA LYS 12 -7.935 -2.895 0.668 102 HB2 LYS 12 2HB LYS 12 -8.753 -0.189 1.727 103 HB3 LYS 12 1HB LYS 12 -8.167 -0.458 0.089 104 HG2 LYS 12 2HG LYS 12 -10.403 -2.178 1.117 105 HG3 LYS 12 1HG LYS 12 -10.769 -0.531 0.608 106 HD2 LYS 12 2HD LYS 12 -9.083 -2.202 -1.218 107 HD3 LYS 12 1HD LYS 12 -10.805 -2.566 -1.129 108 HE2 LYS 12 2HE LYS 12 -9.925 -0.782 -2.862 109 HE3 LYS 12 1HE LYS 12 -11.429 -0.493 -1.987 110 HZ1 LYS 12 3HZ LYS 12 -9.623 0.497 -0.282 111 HZ2 LYS 12 1HZ LYS 12 -10.437 1.425 -1.445 112 HZ3 LYS 12 2HZ LYS 12 -8.872 0.844 -1.765 113 H ILE 13 H ILE 13 -6.700 -1.231 3.516 114 HA ILE 13 HA ILE 13 -4.324 -0.309 2.196 115 HB ILE 13 HB ILE 13 -3.841 0.741 4.155 116 HG12 ILE 13 2HG1 ILE 13 -5.035 -1.568 5.713 117 HG13 ILE 13 1HG1 ILE 13 -3.318 -1.346 5.389 118 HG21 ILE 13 1HG2 ILE 13 -6.372 0.969 3.570 119 HG22 ILE 13 2HG2 ILE 13 -5.793 1.582 5.119 120 HG23 ILE 13 3HG2 ILE 13 -6.615 0.026 5.039 121 HD11 ILE 13 3HD1 ILE 13 -3.517 0.930 6.502 122 HD12 ILE 13 1HD1 ILE 13 -3.690 -0.459 7.575 123 HD13 ILE 13 2HD1 ILE 13 -5.119 0.427 7.043 124 H GLY 14 H GLY 14 -5.042 -2.915 4.511 125 HA2 GLY 14 2HA GLY 14 -2.582 -4.034 4.883 126 HA3 GLY 14 1HA GLY 14 -4.048 -4.998 4.737 127 H LYS 15 H LYS 15 -4.687 -4.476 2.051 128 HA LYS 15 HA LYS 15 -2.874 -6.287 0.739 129 HB2 LYS 15 2HB LYS 15 -5.353 -6.206 0.337 130 HB3 LYS 15 1HB LYS 15 -5.115 -4.662 -0.479 131 HG2 LYS 15 2HG LYS 15 -3.209 -6.307 -1.674 132 HG3 LYS 15 1HG LYS 15 -4.591 -7.379 -1.453 133 HD2 LYS 15 2HD LYS 15 -6.042 -5.625 -2.517 134 HD3 LYS 15 1HD LYS 15 -4.584 -4.696 -2.863 135 HE2 LYS 15 2HE LYS 15 -4.312 -7.473 -3.734 136 HE3 LYS 15 1HE LYS 15 -5.694 -6.683 -4.493 137 HZ1 LYS 15 3HZ LYS 15 -3.010 -5.440 -4.363 138 HZ2 LYS 15 1HZ LYS 15 -4.330 -4.972 -5.319 139 HZ3 LYS 15 2HZ LYS 15 -3.507 -6.419 -5.659 140 H GLU 16 H GLU 16 -3.780 -2.875 0.252 141 HA GLU 16 HA GLU 16 -1.926 -2.385 -1.835 142 HB2 GLU 16 2HB GLU 16 -3.314 -0.537 0.112 143 HB3 GLU 16 1HB GLU 16 -2.292 0.036 -1.207 144 HG2 GLU 16 2HG GLU 16 -4.591 -1.864 -1.684 145 HG3 GLU 16 1HG GLU 16 -4.814 -0.115 -1.681 146 H PHE 17 H PHE 17 -1.789 -1.629 1.654 147 HA PHE 17 HA PHE 17 0.691 -0.430 1.780 148 HB2 PHE 17 2HB PHE 17 -1.120 -1.200 3.642 149 HB3 PHE 17 1HB PHE 17 0.125 -2.414 3.922 150 HD1 PHE 17 1HD PHE 17 -0.408 1.266 3.562 151 HD2 PHE 17 2HD PHE 17 2.072 -1.865 5.142 152 HE1 PHE 17 1HE PHE 17 0.925 2.949 4.801 153 HE2 PHE 17 2HE PHE 17 3.407 -0.182 6.380 154 HZ PHE 17 HZ PHE 17 2.835 2.226 6.210 155 H LYS 18 H LYS 18 -0.094 -3.870 1.579 156 HA LYS 18 HA LYS 18 2.472 -4.920 2.023 157 HB2 LYS 18 2HB LYS 18 0.121 -6.081 1.669 158 HB3 LYS 18 1HB LYS 18 0.676 -6.187 -0.002 159 HG2 LYS 18 2HG LYS 18 2.899 -7.086 1.092 160 HG3 LYS 18 1HG LYS 18 1.851 -7.440 2.465 161 HD2 LYS 18 2HD LYS 18 0.318 -8.649 0.878 162 HD3 LYS 18 1HD LYS 18 1.545 -8.440 -0.371 163 HE2 LYS 18 2HE LYS 18 1.990 -9.838 2.284 164 HE3 LYS 18 1HE LYS 18 1.737 -10.653 0.741 165 HZ1 LYS 18 3HZ LYS 18 4.080 -10.481 1.222 166 HZ2 LYS 18 1HZ LYS 18 3.961 -8.798 1.398 167 HZ3 LYS 18 2HZ LYS 18 3.702 -9.512 -0.122 168 H ARG 19 H ARG 19 0.903 -3.746 -0.926 169 HA ARG 19 HA ARG 19 3.007 -4.438 -2.702 170 HB2 ARG 19 2HB ARG 19 0.503 -2.932 -2.812 171 HB3 ARG 19 1HB ARG 19 1.757 -2.207 -3.816 172 HG2 ARG 19 2HG ARG 19 0.556 -3.828 -5.156 173 HG3 ARG 19 1HG ARG 19 2.166 -4.468 -4.831 174 HD2 ARG 19 2HD ARG 19 0.717 -5.398 -2.671 175 HD3 ARG 19 1HD ARG 19 -0.466 -5.480 -3.969 176 HE ARG 19 HE ARG 19 1.485 -7.365 -3.573 177 HH11 ARG 19 1HH2 ARG 19 0.707 -5.145 -6.123 178 HH12 ARG 19 2HH2 ARG 19 1.438 -6.108 -7.360 179 HH21 ARG 19 1HH1 ARG 19 2.431 -8.622 -5.195 180 HH22 ARG 19 2HH1 ARG 19 2.409 -8.073 -6.837 181 H ILE 20 H ILE 20 2.260 -1.459 -0.898 182 HA ILE 20 HA ILE 20 4.241 0.192 -1.948 183 HB ILE 20 HB ILE 20 2.854 0.030 0.714 184 HG12 ILE 20 2HG1 ILE 20 2.140 2.330 -0.033 185 HG13 ILE 20 1HG1 ILE 20 2.981 2.044 -1.553 186 HG21 ILE 20 1HG2 ILE 20 4.048 2.269 1.193 187 HG22 ILE 20 2HG2 ILE 20 5.233 1.747 -0.005 188 HG23 ILE 20 3HG2 ILE 20 4.973 0.790 1.454 189 HD11 ILE 20 3HD1 ILE 20 0.744 0.330 -0.436 190 HD12 ILE 20 1HD1 ILE 20 1.556 0.087 -1.981 191 HD13 ILE 20 2HD1 ILE 20 0.564 1.520 -1.723 192 H VAL 21 H VAL 21 4.436 -2.320 0.526 193 HA VAL 21 HA VAL 21 7.067 -1.760 1.411 194 HB VAL 21 HB VAL 21 5.517 -4.364 1.364 195 HG11 VAL 21 1HG1 VAL 21 8.154 -3.576 2.617 196 HG12 VAL 21 2HG1 VAL 21 7.810 -4.965 1.587 197 HG13 VAL 21 3HG1 VAL 21 7.189 -4.916 3.236 198 HG21 VAL 21 3HG2 VAL 21 4.925 -3.830 3.619 199 HG22 VAL 21 1HG2 VAL 21 4.633 -2.359 2.691 200 HG23 VAL 21 2HG2 VAL 21 6.084 -2.502 3.683 201 H GLN 22 H GLN 22 5.785 -3.795 -1.189 202 HA GLN 22 HA GLN 22 8.290 -4.917 -1.960 203 HB2 GLN 22 2HB GLN 22 5.731 -4.535 -3.536 204 HB3 GLN 22 1HB GLN 22 7.100 -5.521 -4.053 205 HG2 GLN 22 2HG GLN 22 6.850 -6.787 -1.854 206 HG3 GLN 22 1HG GLN 22 5.310 -5.951 -1.652 207 HE21 GLN 22 1HE2 GLN 22 3.558 -7.090 -2.478 208 HE22 GLN 22 2HE2 GLN 22 3.638 -8.220 -3.742 209 H ARG 23 H ARG 23 6.325 -2.260 -3.292 210 HA ARG 23 HA ARG 23 8.169 -1.469 -5.281 211 HB2 ARG 23 2HB ARG 23 6.127 0.237 -3.835 212 HB3 ARG 23 1HB ARG 23 6.882 0.605 -5.387 213 HG2 ARG 23 2HG ARG 23 5.193 -1.852 -4.833 214 HG3 ARG 23 1HG ARG 23 4.602 -0.394 -5.628 215 HD2 ARG 23 2HD ARG 23 6.857 -0.927 -7.097 216 HD3 ARG 23 1HD ARG 23 6.323 -2.555 -6.691 217 HE ARG 23 HE ARG 23 5.240 -1.072 -8.723 218 HH11 ARG 23 1HH2 ARG 23 4.030 -2.398 -5.755 219 HH12 ARG 23 2HH2 ARG 23 2.398 -2.499 -6.314 220 HH21 ARG 23 1HH1 ARG 23 3.106 -1.219 -9.453 221 HH22 ARG 23 2HH1 ARG 23 1.874 -1.838 -8.403 222 H ILE 24 H ILE 24 7.837 -0.677 -1.880 223 HA ILE 24 HA ILE 24 9.475 1.569 -1.694 224 HB ILE 24 HB ILE 24 8.614 -0.618 0.125 225 HG12 ILE 24 2HG1 ILE 24 7.547 1.724 -0.337 226 HG13 ILE 24 1HG1 ILE 24 7.632 1.139 1.325 227 HG21 ILE 24 1HG2 ILE 24 11.057 1.088 0.632 228 HG22 ILE 24 2HG2 ILE 24 10.885 -0.658 0.813 229 HG23 ILE 24 3HG2 ILE 24 10.092 0.428 1.951 230 HD11 ILE 24 3HD1 ILE 24 9.411 2.556 1.872 231 HD12 ILE 24 1HD1 ILE 24 8.440 3.566 0.804 232 HD13 ILE 24 2HD1 ILE 24 9.888 2.771 0.189 233 H LYS 25 H LYS 25 10.376 -1.841 -1.275 234 HA LYS 25 HA LYS 25 13.098 -1.567 -0.918 235 HB2 LYS 25 2HB LYS 25 11.413 -3.690 -1.198 236 HB3 LYS 25 1HB LYS 25 12.302 -3.786 -2.716 237 HG2 LYS 25 2HG LYS 25 13.654 -5.050 -1.279 238 HG3 LYS 25 1HG LYS 25 14.418 -3.464 -1.201 239 HD2 LYS 25 2HD LYS 25 14.235 -3.946 1.065 240 HD3 LYS 25 1HD LYS 25 12.711 -3.099 0.802 241 HE2 LYS 25 2HE LYS 25 12.100 -5.067 1.976 242 HE3 LYS 25 1HE LYS 25 11.712 -5.422 0.293 243 HZ1 LYS 25 3HZ LYS 25 13.810 -6.514 1.989 244 HZ2 LYS 25 1HZ LYS 25 14.225 -6.235 0.368 245 HZ3 LYS 25 2HZ LYS 25 12.919 -7.255 0.746 246 H ASP 26 H ASP 26 11.223 -1.351 -3.877 247 HA ASP 26 HA ASP 26 13.484 -1.346 -5.647 248 HB2 ASP 26 2HB ASP 26 11.063 -1.928 -6.239 249 HB3 ASP 26 1HB ASP 26 10.762 -0.191 -6.243 250 H PHE 27 H PHE 27 11.521 1.107 -4.045 251 HA PHE 27 HA PHE 27 12.378 3.402 -5.350 252 HB2 PHE 27 2HB PHE 27 10.606 3.340 -3.619 253 HB3 PHE 27 1HB PHE 27 11.841 3.089 -2.387 254 HD1 PHE 27 2HD PHE 27 11.012 5.408 -5.213 255 HD2 PHE 27 1HD PHE 27 12.761 4.955 -1.315 256 HE1 PHE 27 2HE PHE 27 11.368 7.858 -5.089 257 HE2 PHE 27 1HE PHE 27 13.117 7.407 -1.192 258 HZ PHE 27 HZ PHE 27 12.421 8.858 -3.078 259 H LEU 28 H LEU 28 13.913 1.635 -2.687 260 HA LEU 28 HA LEU 28 16.029 3.434 -2.220 261 HB2 LEU 28 2HB LEU 28 15.733 0.465 -1.766 262 HB3 LEU 28 1HB LEU 28 17.191 1.345 -1.310 263 HG LEU 28 HG LEU 28 15.635 2.954 -0.044 264 HD11 LEU 28 1HD1 LEU 28 13.747 0.674 -0.662 265 HD12 LEU 28 2HD1 LEU 28 13.496 2.397 -0.938 266 HD13 LEU 28 3HD1 LEU 28 13.498 1.759 0.705 267 HD21 LEU 28 3HD2 LEU 28 17.067 1.298 1.079 268 HD22 LEU 28 1HD2 LEU 28 15.836 0.058 0.838 269 HD23 LEU 28 2HD2 LEU 28 15.513 1.427 1.902 270 H ARG 29 H ARG 29 15.929 0.478 -4.226 271 HA ARG 29 HA ARG 29 18.561 0.649 -5.192 272 HB2 ARG 29 2HB ARG 29 16.158 -0.497 -6.632 273 HB3 ARG 29 1HB ARG 29 17.851 -0.877 -6.944 274 HG2 ARG 29 2HG ARG 29 17.697 -1.372 -4.253 275 HG3 ARG 29 1HG ARG 29 16.079 -1.831 -4.766 276 HD2 ARG 29 2HD ARG 29 18.721 -3.015 -5.526 277 HD3 ARG 29 1HD ARG 29 17.231 -3.832 -5.073 278 HE ARG 29 HE ARG 29 18.067 -3.419 -7.678 279 HH11 ARG 29 1HH2 ARG 29 15.280 -2.615 -5.782 280 HH12 ARG 29 2HH2 ARG 29 14.233 -2.463 -7.150 281 HH21 ARG 29 1HH1 ARG 29 16.695 -3.232 -9.461 282 HH22 ARG 29 2HH1 ARG 29 15.030 -2.814 -9.229 283 H ASN 30 H ASN 30 15.737 2.467 -5.987 284 HA ASN 30 HA ASN 30 16.715 3.356 -8.568 285 HB2 ASN 30 2HB ASN 30 14.364 4.161 -6.851 286 HB3 ASN 30 1HB ASN 30 14.750 4.952 -8.378 287 HD21 ASN 30 1HD2 ASN 30 14.988 1.463 -7.529 288 HD22 ASN 30 2HD2 ASN 30 13.913 0.947 -8.738 289 H LEU 31 H LEU 31 16.850 4.399 -5.249 290 HA LEU 31 HA LEU 31 17.555 7.121 -5.767 291 HB2 LEU 31 2HB LEU 31 17.351 5.337 -3.426 292 HB3 LEU 31 1HB LEU 31 18.577 6.593 -3.276 293 HG LEU 31 HG LEU 31 16.862 8.293 -3.913 294 HD11 LEU 31 1HD1 LEU 31 14.791 6.141 -3.479 295 HD12 LEU 31 2HD1 LEU 31 15.427 6.470 -5.090 296 HD13 LEU 31 3HD1 LEU 31 14.589 7.737 -4.200 297 HD21 LEU 31 3HD2 LEU 31 16.266 6.503 -1.539 298 HD22 LEU 31 1HD2 LEU 31 15.544 8.096 -1.768 299 HD23 LEU 31 2HD2 LEU 31 17.288 7.940 -1.557 300 H VAL 32 H VAL 32 19.436 4.196 -5.003 301 HA VAL 32 HA VAL 32 21.910 5.677 -5.599 302 HB VAL 32 HB VAL 32 22.957 3.491 -4.700 303 HG11 VAL 32 1HG1 VAL 32 22.966 5.602 -3.460 304 HG12 VAL 32 2HG1 VAL 32 22.616 4.268 -2.361 305 HG13 VAL 32 3HG1 VAL 32 21.311 5.315 -2.920 306 HG21 VAL 32 3HG2 VAL 32 20.871 2.150 -4.827 307 HG22 VAL 32 1HG2 VAL 32 20.116 3.229 -3.656 308 HG23 VAL 32 2HG2 VAL 32 21.485 2.228 -3.177 309 HA PRO 33 HA PRO 33 21.600 3.333 -9.470 310 HB2 PRO 33 2HB PRO 33 23.089 4.986 -10.996 311 HB3 PRO 33 1HB PRO 33 21.433 5.405 -10.511 312 HG2 PRO 33 2HG PRO 33 24.026 6.369 -9.414 313 HG3 PRO 33 1HG PRO 33 22.514 7.254 -9.681 314 HD2 PRO 33 2HD PRO 33 23.351 6.235 -7.216 315 HD3 PRO 33 1HD PRO 33 21.674 6.666 -7.626 316 H ARG 34 H ARG 34 24.565 4.599 -8.010 317 HA ARG 34 HA ARG 34 26.557 3.349 -9.388 318 HB2 ARG 34 2HB ARG 34 27.870 3.361 -7.362 319 HB3 ARG 34 1HB ARG 34 26.858 4.807 -7.377 320 HG2 ARG 34 2HG ARG 34 25.160 3.457 -6.019 321 HG3 ARG 34 1HG ARG 34 26.443 2.267 -5.792 322 HD2 ARG 34 2HD ARG 34 26.574 3.703 -3.897 323 HD3 ARG 34 1HD ARG 34 27.892 4.199 -4.955 324 HE ARG 34 HE ARG 34 25.814 5.815 -5.700 325 HH11 ARG 34 1HH2 ARG 34 27.383 5.009 -2.722 326 HH12 ARG 34 2HH2 ARG 34 27.083 6.548 -1.988 327 HH21 ARG 34 1HH1 ARG 34 25.418 7.835 -4.744 328 HH22 ARG 34 2HH1 ARG 34 25.970 8.149 -3.132 329 H THR 35 H THR 35 24.241 1.886 -7.238 330 HA THR 35 HA THR 35 25.567 -0.701 -7.263 331 HB THR 35 HB THR 35 23.173 -1.215 -6.144 332 HG1 THR 35 1HG THR 35 22.114 0.539 -5.803 333 HG21 THR 35 3HG2 THR 35 25.256 -1.526 -4.974 334 HG22 THR 35 1HG2 THR 35 24.225 -0.518 -3.959 335 HG23 THR 35 2HG2 THR 35 25.528 0.215 -4.894 336 H GLU 36 H GLU 36 23.533 -2.475 -7.503 337 HA GLU 36 HA GLU 36 23.293 -2.931 -10.219 338 HB2 GLU 36 2HB GLU 36 21.515 -3.796 -7.933 339 HB3 GLU 36 1HB GLU 36 21.328 -4.398 -9.581 340 HG2 GLU 36 2HG GLU 36 23.475 -5.411 -9.571 341 HG3 GLU 36 1HG GLU 36 23.977 -4.520 -8.136 342 H SER 37 H SER 37 21.417 -2.840 -11.633 343 HA SER 37 HA SER 37 20.239 -0.251 -11.694 344 HB2 SER 37 2HB SER 37 19.187 -0.956 -13.706 345 HB3 SER 37 1HB SER 37 20.755 -1.757 -13.681 346 HG SER 37 HG SER 37 18.751 -3.047 -14.143
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