NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
8041 | 1ldr | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 276 H/Q atoms Start of MODEL 1 1 1H LEU 1 2H LEU 1 12.342 6.964 -10.042 2 2H LEU 1 1H LEU 1 13.753 6.676 -9.141 3 3H LEU 1 3H LEU 1 13.502 8.192 -9.859 4 HA LEU 1 HA LEU 1 13.924 7.430 -11.985 5 1HB LEU 1 2HB LEU 1 15.880 7.298 -10.251 6 2HB LEU 1 1HB LEU 1 15.702 5.554 -10.437 7 HG LEU 1 HG LEU 1 15.807 6.004 -12.978 8 1HD1 LEU 1 2HD1 LEU 1 16.736 8.638 -11.824 9 2HD1 LEU 1 1HD1 LEU 1 17.234 8.095 -13.427 10 3HD1 LEU 1 3HD1 LEU 1 15.526 8.363 -13.079 11 1HD2 LEU 1 3HD2 LEU 1 18.209 6.478 -11.183 12 2HD2 LEU 1 2HD2 LEU 1 17.630 4.919 -11.773 13 3HD2 LEU 1 1HD2 LEU 1 18.310 6.092 -12.901 14 H SER 2 H SER 2 11.673 6.219 -11.983 15 HA SER 2 HA SER 2 10.469 4.341 -12.701 16 1HB SER 2 2HB SER 2 12.747 4.347 -14.184 17 2HB SER 2 1HB SER 2 12.908 2.790 -13.375 18 HG SER 2 HG SER 2 10.957 3.710 -15.165 19 H VAL 3 H VAL 3 11.058 4.463 -9.963 20 HA VAL 3 HA VAL 3 12.272 2.179 -8.844 21 HB VAL 3 HB VAL 3 11.631 4.162 -7.527 22 1HG1 VAL 3 3HG1 VAL 3 9.327 4.220 -8.833 23 2HG1 VAL 3 2HG1 VAL 3 8.782 3.238 -7.474 24 3HG1 VAL 3 1HG1 VAL 3 9.441 4.849 -7.190 25 1HG2 VAL 3 3HG2 VAL 3 11.906 1.901 -6.444 26 2HG2 VAL 3 2HG2 VAL 3 10.852 2.999 -5.553 27 3HG2 VAL 3 1HG2 VAL 3 10.155 1.708 -6.530 28 H THR 4 H THR 4 11.339 0.197 -8.052 29 HA THR 4 HA THR 4 8.749 -0.546 -9.353 30 HB THR 4 HB THR 4 9.734 -2.883 -9.483 31 HG1 THR 4 HG1 THR 4 12.129 -1.448 -8.993 32 1HG2 THR 4 1HG2 THR 4 9.679 -1.088 -11.351 33 2HG2 THR 4 3HG2 THR 4 11.405 -0.915 -11.036 34 3HG2 THR 4 2HG2 THR 4 10.757 -2.467 -11.563 35 H CYS 5 H CYS 5 7.504 -2.165 -8.161 36 HA CYS 5 HA CYS 5 8.097 -2.096 -5.243 37 1HB CYS 5 2HB CYS 5 5.706 -1.691 -6.789 38 2HB CYS 5 1HB CYS 5 5.464 -2.988 -5.629 39 H LYS 6 H LYS 6 9.067 -4.071 -7.383 40 HA LYS 6 HA LYS 6 9.425 -6.382 -7.526 41 1HB LYS 6 2HB LYS 6 8.420 -6.317 -4.664 42 2HB LYS 6 1HB LYS 6 9.327 -7.632 -5.414 43 1HG LYS 6 2HG LYS 6 11.308 -6.419 -5.475 44 2HG LYS 6 1HG LYS 6 10.475 -4.864 -5.479 45 1HD LYS 6 2HD LYS 6 10.055 -4.935 -3.170 46 2HD LYS 6 1HD LYS 6 10.276 -6.683 -3.089 47 1HE LYS 6 2HE LYS 6 12.713 -5.567 -4.071 48 2HE LYS 6 1HE LYS 6 12.227 -4.625 -2.662 49 1HZ LYS 6 3HZ LYS 6 11.967 -6.686 -1.423 50 2HZ LYS 6 2HZ LYS 6 12.455 -7.583 -2.780 51 3HZ LYS 6 1HZ LYS 6 13.548 -6.530 -2.017 52 H SER 7 H SER 7 8.069 -8.581 -6.650 53 HA SER 7 HA SER 7 5.380 -8.183 -7.874 54 1HB SER 7 2HB SER 7 6.704 -10.844 -7.355 55 2HB SER 7 1HB SER 7 5.445 -10.457 -8.524 56 HG SER 7 HG SER 7 8.087 -10.404 -8.840 57 H GLY 8 H GLY 8 3.522 -8.747 -6.751 58 1HA GLY 8 2HA GLY 8 2.445 -10.076 -4.947 59 2HA GLY 8 1HA GLY 8 3.890 -9.803 -3.977 60 H ASP 9 H ASP 9 4.025 -6.949 -4.930 61 HA ASP 9 HA ASP 9 2.165 -5.840 -2.931 62 1HB ASP 9 2HB ASP 9 4.086 -4.267 -4.643 63 2HB ASP 9 1HB ASP 9 3.463 -3.868 -3.050 64 H PHE 10 H PHE 10 1.726 -3.325 -3.975 65 HA PHE 10 HA PHE 10 0.879 -3.281 -6.665 66 1HB PHE 10 2HB PHE 10 -1.173 -4.226 -6.671 67 2HB PHE 10 1HB PHE 10 -0.871 -4.767 -5.032 68 HD1 PHE 10 HD2 PHE 10 -2.130 -1.743 -6.913 69 HD2 PHE 10 HD1 PHE 10 -2.339 -4.114 -3.330 70 HE1 PHE 10 HE2 PHE 10 -4.051 -0.367 -6.115 71 HE2 PHE 10 HE1 PHE 10 -4.254 -2.738 -2.553 72 HZ PHE 10 HZ PHE 10 -5.105 -0.905 -3.904 73 H SER 11 H SER 11 1.390 -1.196 -6.982 74 HA SER 11 HA SER 11 1.196 0.822 -4.923 75 1HB SER 11 2HB SER 11 1.902 2.371 -6.624 76 2HB SER 11 1HB SER 11 2.758 0.865 -6.946 77 HG SER 11 HG SER 11 0.896 2.186 -8.439 78 H CYS 12 H CYS 12 -0.692 1.729 -4.265 79 HA CYS 12 HA CYS 12 -3.236 1.187 -5.239 80 1HB CYS 12 2HB CYS 12 -2.666 2.366 -3.107 81 2HB CYS 12 1HB CYS 12 -2.460 3.823 -4.064 82 H GLY 13 H GLY 13 -1.641 4.348 -5.816 83 1HA GLY 13 2HA GLY 13 -2.301 4.320 -8.650 84 2HA GLY 13 1HA GLY 13 -3.351 5.395 -7.726 85 H GLY 14 H GLY 14 -0.215 4.995 -9.098 86 1HA GLY 14 2HA GLY 14 1.528 6.536 -9.401 87 2HA GLY 14 1HA GLY 14 0.417 7.787 -8.845 88 H ARG 15 H ARG 15 1.071 5.009 -6.824 89 HA ARG 15 HA ARG 15 2.086 4.847 -4.721 90 1HB ARG 15 2HB ARG 15 3.915 6.974 -5.878 91 2HB ARG 15 1HB ARG 15 4.258 5.974 -4.467 92 1HG ARG 15 2HG ARG 15 3.511 4.232 -6.620 93 2HG ARG 15 1HG ARG 15 4.722 5.359 -7.226 94 1HD ARG 15 2HD ARG 15 5.286 4.244 -4.543 95 2HD ARG 15 1HD ARG 15 5.327 3.077 -5.866 96 HE ARG 15 HE ARG 15 7.044 4.528 -6.948 97 1HH1 ARG 15 1HH2 ARG 15 7.172 7.071 -5.894 98 2HH1 ARG 15 2HH2 ARG 15 8.235 6.997 -4.528 99 1HH2 ARG 15 2HH1 ARG 15 8.016 3.552 -4.209 100 2HH2 ARG 15 1HH1 ARG 15 8.713 5.005 -3.575 101 H VAL 16 H VAL 16 -0.004 5.941 -4.006 102 HA VAL 16 HA VAL 16 -0.220 8.701 -3.492 103 HB VAL 16 HB VAL 16 -2.111 7.131 -3.324 104 1HG1 VAL 16 1HG1 VAL 16 -0.434 5.519 -1.934 105 2HG1 VAL 16 3HG1 VAL 16 -1.337 6.241 -0.603 106 3HG1 VAL 16 2HG1 VAL 16 -2.190 5.369 -1.877 107 1HG2 VAL 16 3HG2 VAL 16 -1.463 8.674 -0.796 108 2HG2 VAL 16 2HG2 VAL 16 -2.379 9.251 -2.187 109 3HG2 VAL 16 1HG2 VAL 16 -3.052 7.994 -1.149 110 H ASN 17 H ASN 17 1.657 6.266 -1.862 111 HA ASN 17 HA ASN 17 3.207 8.133 -0.399 112 1HB ASN 17 2HB ASN 17 2.354 7.351 1.950 113 2HB ASN 17 1HB ASN 17 1.503 8.648 1.116 114 1HD2 ASN 17 2HD2 ASN 17 -1.516 6.869 1.365 115 2HD2 ASN 17 1HD2 ASN 17 -0.702 8.356 1.457 116 H ARG 18 H ARG 18 1.922 4.836 -0.542 117 HA ARG 18 HA ARG 18 4.648 3.795 -0.346 118 1HB ARG 18 2HB ARG 18 4.037 2.183 1.478 119 2HB ARG 18 1HB ARG 18 4.143 3.864 2.005 120 1HG ARG 18 2HG ARG 18 1.812 4.122 2.028 121 2HG ARG 18 1HG ARG 18 1.548 2.667 1.076 122 1HD ARG 18 2HD ARG 18 1.118 1.719 3.111 123 2HD ARG 18 1HD ARG 18 2.876 1.620 3.208 124 HE ARG 18 HE ARG 18 1.874 4.163 4.188 125 1HH1 ARG 18 2HH1 ARG 18 4.187 2.972 5.475 126 2HH1 ARG 18 1HH1 ARG 18 3.546 2.281 6.928 127 1HH2 ARG 18 1HH2 ARG 18 0.259 2.346 5.821 128 2HH2 ARG 18 2HH2 ARG 18 1.320 1.929 7.125 129 H CYS 19 H CYS 19 4.298 1.164 -0.225 130 HA CYS 19 HA CYS 19 2.597 0.598 -2.576 131 1HB CYS 19 2HB CYS 19 5.117 -0.240 -1.886 132 2HB CYS 19 1HB CYS 19 4.123 -1.611 -1.419 133 H ILE 20 H ILE 20 1.553 -1.714 -2.439 134 HA ILE 20 HA ILE 20 0.269 -2.056 0.238 135 HB ILE 20 HB ILE 20 -1.101 -2.217 -2.465 136 1HG1 ILE 20 2HG1 ILE 20 -0.460 0.093 -1.816 137 2HG1 ILE 20 1HG1 ILE 20 -2.206 -0.134 -1.849 138 1HG2 ILE 20 2HG2 ILE 20 -2.151 -2.398 0.371 139 2HG2 ILE 20 1HG2 ILE 20 -3.179 -2.211 -1.039 140 3HG2 ILE 20 3HG2 ILE 20 -2.200 -3.664 -0.859 141 1HD1 ILE 20 3HD1 ILE 20 -0.490 -0.300 0.650 142 2HD1 ILE 20 2HD1 ILE 20 -1.500 1.072 0.204 143 3HD1 ILE 20 1HD1 ILE 20 -2.242 -0.481 0.582 144 HA PRO 21 HA PRO 21 1.595 -6.244 -0.496 145 1HB PRO 21 2HB PRO 21 0.004 -7.518 1.364 146 2HB PRO 21 1HB PRO 21 1.485 -6.652 1.773 147 1HG PRO 21 2HG PRO 21 -1.331 -5.789 2.139 148 2HG PRO 21 1HG PRO 21 0.087 -5.394 3.109 149 1HD PRO 21 2HD PRO 21 -1.092 -3.696 1.262 150 2HD PRO 21 1HD PRO 21 0.573 -3.571 1.828 151 H GLN 22 H GLN 22 0.731 -8.286 -1.347 152 HA GLN 22 HA GLN 22 -1.369 -7.999 -3.234 153 1HB GLN 22 2HB GLN 22 0.484 -9.991 -2.517 154 2HB GLN 22 1HB GLN 22 -1.101 -10.741 -2.423 155 1HG GLN 22 2HG GLN 22 -1.621 -10.053 -4.698 156 2HG GLN 22 1HG GLN 22 -0.104 -9.158 -4.803 157 1HE2 GLN 22 2HE2 GLN 22 0.190 -12.700 -6.232 158 2HE2 GLN 22 1HE2 GLN 22 -1.015 -11.522 -6.441 159 H PHE 23 H PHE 23 -1.403 -8.845 0.148 160 HA PHE 23 HA PHE 23 -4.020 -10.016 0.231 161 1HB PHE 23 2HB PHE 23 -2.230 -10.154 2.025 162 2HB PHE 23 1HB PHE 23 -2.702 -8.518 2.454 163 HD1 PHE 23 HD2 PHE 23 -3.848 -12.023 2.257 164 HD2 PHE 23 HD1 PHE 23 -4.802 -8.037 3.540 165 HE1 PHE 23 HE2 PHE 23 -5.766 -12.902 3.562 166 HE2 PHE 23 HE1 PHE 23 -6.720 -8.915 4.844 167 HZ PHE 23 HZ PHE 23 -7.202 -11.347 4.855 168 H TRP 24 H TRP 24 -2.822 -6.658 0.584 169 HA TRP 24 HA TRP 24 -5.504 -5.663 1.125 170 1HB TRP 24 2HB TRP 24 -2.803 -4.509 0.751 171 2HB TRP 24 1HB TRP 24 -4.195 -3.438 0.726 172 HD1 TRP 24 HD1 TRP 24 -3.071 -6.418 2.942 173 HE1 TRP 24 HE1 TRP 24 -3.431 -5.753 5.411 174 HE3 TRP 24 HE3 TRP 24 -4.806 -1.635 2.328 175 HZ2 TRP 24 HZ2 TRP 24 -4.327 -3.499 6.925 176 HZ3 TRP 24 HZ3 TRP 24 -5.400 -0.267 4.309 177 HH2 TRP 24 HH2 TRP 24 -5.154 -1.184 6.599 178 H ARG 25 H ARG 25 -4.005 -6.735 -1.715 179 HA ARG 25 HA ARG 25 -5.052 -4.655 -3.481 180 1HB ARG 25 2HB ARG 25 -3.129 -5.951 -4.251 181 2HB ARG 25 1HB ARG 25 -4.016 -7.459 -4.048 182 1HG ARG 25 2HG ARG 25 -3.996 -6.832 -6.416 183 2HG ARG 25 1HG ARG 25 -5.638 -6.712 -5.786 184 1HD ARG 25 2HD ARG 25 -5.139 -4.229 -5.377 185 2HD ARG 25 1HD ARG 25 -3.704 -4.462 -6.366 186 HE ARG 25 HE ARG 25 -5.866 -5.492 -7.846 187 1HH1 ARG 25 2HH1 ARG 25 -7.480 -3.294 -6.807 188 2HH1 ARG 25 1HH1 ARG 25 -7.084 -1.969 -7.850 189 1HH2 ARG 25 1HH2 ARG 25 -4.194 -3.447 -9.068 190 2HH2 ARG 25 2HH2 ARG 25 -5.224 -2.057 -9.131 191 H CYS 26 H CYS 26 -6.921 -4.861 -4.795 192 HA CYS 26 HA CYS 26 -9.025 -5.691 -5.492 193 1HB CYS 26 2HB CYS 26 -8.090 -8.062 -4.853 194 2HB CYS 26 1HB CYS 26 -9.008 -7.829 -3.365 195 H ASP 27 H ASP 27 -8.477 -6.074 -1.973 196 HA ASP 27 HA ASP 27 -10.940 -4.565 -1.419 197 1HB ASP 27 2HB ASP 27 -8.986 -6.085 0.269 198 2HB ASP 27 1HB ASP 27 -10.238 -5.081 0.981 199 H GLY 28 H GLY 28 -7.772 -4.503 0.160 200 1HA GLY 28 2HA GLY 28 -6.193 -2.727 0.275 201 2HA GLY 28 1HA GLY 28 -7.312 -1.698 -0.628 202 H GLN 29 H GLN 29 -9.473 -2.663 1.438 203 HA GLN 29 HA GLN 29 -10.412 -1.598 3.321 204 1HB GLN 29 2HB GLN 29 -7.515 -1.264 4.208 205 2HB GLN 29 1HB GLN 29 -8.938 -1.303 5.237 206 1HG GLN 29 2HG GLN 29 -9.105 -3.666 3.822 207 2HG GLN 29 1HG GLN 29 -7.386 -3.476 4.134 208 1HE2 GLN 29 2HE2 GLN 29 -8.207 -3.190 7.807 209 2HE2 GLN 29 1HE2 GLN 29 -7.569 -2.106 6.668 210 H VAL 30 H VAL 30 -7.800 0.577 4.016 211 HA VAL 30 HA VAL 30 -8.424 2.288 1.792 212 HB VAL 30 HB VAL 30 -9.190 3.031 4.604 213 1HG1 VAL 30 3HG1 VAL 30 -8.308 4.747 2.341 214 2HG1 VAL 30 2HG1 VAL 30 -9.864 5.201 3.034 215 3HG1 VAL 30 1HG1 VAL 30 -8.427 5.144 4.054 216 1HG2 VAL 30 2HG2 VAL 30 -10.496 2.700 1.912 217 2HG2 VAL 30 1HG2 VAL 30 -10.897 1.894 3.428 218 3HG2 VAL 30 3HG2 VAL 30 -11.289 3.598 3.205 219 H ASP 31 H ASP 31 -6.171 1.102 2.052 220 HA ASP 31 HA ASP 31 -4.173 2.545 3.586 221 1HB ASP 31 2HB ASP 31 -4.011 0.119 2.665 222 2HB ASP 31 1HB ASP 31 -3.587 0.882 1.173 223 H CYS 32 H CYS 32 -5.982 3.240 0.801 224 HA CYS 32 HA CYS 32 -3.893 4.857 -0.499 225 1HB CYS 32 2HB CYS 32 -6.816 4.423 -1.213 226 2HB CYS 32 1HB CYS 32 -5.597 5.177 -2.236 227 H ASP 33 H ASP 33 -6.340 5.264 1.887 228 HA ASP 33 HA ASP 33 -7.197 7.155 2.944 229 1HB ASP 33 2HB ASP 33 -4.647 8.172 1.716 230 2HB ASP 33 1HB ASP 33 -5.755 9.310 2.483 231 H ASN 34 H ASN 34 -6.034 9.131 0.234 232 HA ASN 34 HA ASN 34 -8.882 9.503 -0.570 233 1HB ASN 34 2HB ASN 34 -8.023 11.622 -1.641 234 2HB ASN 34 1HB ASN 34 -7.861 11.591 0.116 235 1HD2 ASN 34 2HD2 ASN 34 -4.536 11.801 -2.199 236 2HD2 ASN 34 1HD2 ASN 34 -6.090 11.763 -2.884 237 H GLY 35 H GLY 35 -7.406 7.218 -1.433 238 1HA GLY 35 2HA GLY 35 -7.000 7.869 -4.334 239 2HA GLY 35 1HA GLY 35 -6.103 6.601 -3.502 240 H SER 36 H SER 36 -6.831 4.742 -4.496 241 HA SER 36 HA SER 36 -9.557 3.886 -3.950 242 1HB SER 36 2HB SER 36 -9.783 3.428 -6.579 243 2HB SER 36 1HB SER 36 -10.346 4.925 -5.843 244 HG SER 36 HG SER 36 -9.003 5.319 -7.646 245 H ASP 37 H ASP 37 -7.773 2.427 -2.927 246 HA ASP 37 HA ASP 37 -6.130 0.645 -4.354 247 1HB ASP 37 2HB ASP 37 -6.972 -1.054 -2.446 248 2HB ASP 37 1HB ASP 37 -5.819 0.217 -2.109 249 H GLU 38 H GLU 38 -9.612 0.557 -3.893 250 HA GLU 38 HA GLU 38 -9.768 -2.022 -5.366 251 1HB GLU 38 2HB GLU 38 -12.184 -1.947 -4.726 252 2HB GLU 38 1HB GLU 38 -11.104 -1.904 -3.333 253 1HG GLU 38 2HG GLU 38 -11.640 0.261 -2.809 254 2HG GLU 38 1HG GLU 38 -11.858 0.725 -4.496 255 H GLN 39 H GLN 39 -8.930 -0.519 -7.234 256 HA GLN 39 HA GLN 39 -11.189 0.890 -8.550 257 1HB GLN 39 2HB GLN 39 -8.778 1.853 -8.213 258 2HB GLN 39 1HB GLN 39 -8.417 0.840 -9.599 259 1HG GLN 39 2HG GLN 39 -10.754 2.083 -10.383 260 2HG GLN 39 1HG GLN 39 -9.929 3.350 -9.479 261 1HE2 GLN 39 2HE2 GLN 39 -7.972 4.060 -12.316 262 2HE2 GLN 39 1HE2 GLN 39 -8.953 4.647 -11.060 263 H GLY 40 H GLY 40 -11.874 -1.596 -8.718 264 1HA GLY 40 2HA GLY 40 -12.566 -3.027 -10.515 265 2HA GLY 40 1HA GLY 40 -11.249 -2.388 -11.501 266 H CYS 41 HN CYS 41 -12.219 -4.950 -9.466 267 HA CYS 41 HA CYS 41 -9.449 -5.872 -8.970 268 1HB CYS 41 2HB CYS 41 -11.362 -6.050 -7.262 269 2HB CYS 41 1HB CYS 41 -11.994 -7.347 -8.276 No H/Q in entry = 269 Start of MODEL 2 Raw file had 276 H/Q atoms Start of MODEL 2 1 1H LEU 1 3H LEU 1 13.047 10.784 -2.798 2 2H LEU 1 2H LEU 1 11.934 11.026 -4.058 3 3H LEU 1 1H LEU 1 11.442 10.267 -2.618 4 HA LEU 1 HA LEU 1 11.711 8.601 -4.303 5 1HB LEU 1 2HB LEU 1 14.314 10.054 -4.664 6 2HB LEU 1 1HB LEU 1 14.227 8.335 -5.050 7 HG LEU 1 HG LEU 1 12.231 10.334 -6.125 8 1HD1 LEU 1 1HD1 LEU 1 14.608 10.883 -6.795 9 2HD1 LEU 1 3HD1 LEU 1 14.696 9.288 -7.544 10 3HD1 LEU 1 2HD1 LEU 1 13.544 10.480 -8.144 11 1HD2 LEU 1 2HD2 LEU 1 12.054 7.656 -6.039 12 2HD2 LEU 1 1HD2 LEU 1 11.451 8.585 -7.411 13 3HD2 LEU 1 3HD2 LEU 1 13.032 7.809 -7.499 14 H SER 2 H SER 2 11.437 7.135 -2.650 15 HA SER 2 HA SER 2 13.869 6.454 -1.047 16 1HB SER 2 2HB SER 2 10.994 6.633 -0.106 17 2HB SER 2 1HB SER 2 12.281 5.878 0.829 18 HG SER 2 HG SER 2 11.866 8.566 0.157 19 H VAL 3 H VAL 3 14.441 4.568 -2.107 20 HA VAL 3 HA VAL 3 12.675 2.700 -3.271 21 HB VAL 3 HB VAL 3 15.072 2.731 -3.778 22 1HG1 VAL 3 2HG1 VAL 3 15.436 3.026 -1.085 23 2HG1 VAL 3 1HG1 VAL 3 15.861 1.328 -1.300 24 3HG1 VAL 3 3HG1 VAL 3 16.713 2.572 -2.213 25 1HG2 VAL 3 1HG2 VAL 3 13.599 0.552 -3.792 26 2HG2 VAL 3 3HG2 VAL 3 15.344 0.419 -4.016 27 3HG2 VAL 3 2HG2 VAL 3 14.628 0.073 -2.442 28 H THR 4 H THR 4 10.987 1.981 -2.016 29 HA THR 4 HA THR 4 11.687 0.276 0.312 30 HB THR 4 HB THR 4 9.508 1.372 1.369 31 HG1 THR 4 HG1 THR 4 9.051 2.795 -0.254 32 1HG2 THR 4 1HG2 THR 4 12.379 2.080 1.474 33 2HG2 THR 4 3HG2 THR 4 11.280 3.281 2.155 34 3HG2 THR 4 2HG2 THR 4 11.280 1.631 2.779 35 H CYS 5 H CYS 5 9.728 -1.032 0.977 36 HA CYS 5 HA CYS 5 7.790 -2.282 0.535 37 1HB CYS 5 2HB CYS 5 7.596 -1.020 -2.170 38 2HB CYS 5 1HB CYS 5 6.343 -1.876 -1.304 39 H LYS 6 H LYS 6 9.857 -1.916 -2.366 40 HA LYS 6 HA LYS 6 10.955 -3.549 -3.635 41 1HB LYS 6 2HB LYS 6 10.242 -5.540 -1.465 42 2HB LYS 6 1HB LYS 6 11.579 -5.620 -2.608 43 1HG LYS 6 2HG LYS 6 12.611 -3.645 -1.568 44 2HG LYS 6 1HG LYS 6 11.263 -3.525 -0.437 45 1HD LYS 6 2HD LYS 6 11.827 -5.618 0.594 46 2HD LYS 6 1HD LYS 6 13.000 -5.993 -0.670 47 1HE LYS 6 2HE LYS 6 14.301 -3.955 0.027 48 2HE LYS 6 1HE LYS 6 13.192 -3.774 1.387 49 1HZ LYS 6 1HZ LYS 6 14.863 -6.168 0.834 50 2HZ LYS 6 3HZ LYS 6 15.192 -4.990 2.010 51 3HZ LYS 6 2HZ LYS 6 13.813 -5.971 2.154 52 H SER 7 H SER 7 10.303 -6.218 -4.125 53 HA SER 7 HA SER 7 7.829 -5.898 -5.637 54 1HB SER 7 2HB SER 7 8.284 -8.231 -6.366 55 2HB SER 7 1HB SER 7 9.687 -7.188 -6.571 56 HG SER 7 HG SER 7 9.874 -9.368 -5.452 57 H GLY 8 H GLY 8 5.916 -7.195 -5.378 58 1HA GLY 8 2HA GLY 8 4.626 -8.876 -4.140 59 2HA GLY 8 1HA GLY 8 5.633 -8.545 -2.731 60 H ASP 9 H ASP 9 5.346 -5.545 -3.488 61 HA ASP 9 HA ASP 9 2.841 -5.143 -1.964 62 1HB ASP 9 2HB ASP 9 4.775 -3.000 -2.822 63 2HB ASP 9 1HB ASP 9 3.672 -2.999 -1.455 64 H PHE 10 H PHE 10 2.231 -2.571 -2.827 65 HA PHE 10 HA PHE 10 2.095 -2.350 -5.657 66 1HB PHE 10 2HB PHE 10 0.065 -3.269 -6.228 67 2HB PHE 10 1HB PHE 10 0.348 -4.254 -4.802 68 HD1 PHE 10 HD1 PHE 10 -1.469 -1.289 -6.119 69 HD2 PHE 10 HD2 PHE 10 -1.020 -3.987 -2.798 70 HE1 PHE 10 HE1 PHE 10 -3.575 -0.409 -5.131 71 HE2 PHE 10 HE2 PHE 10 -3.129 -3.105 -1.823 72 HZ PHE 10 HZ PHE 10 -4.404 -1.363 -2.972 73 H SER 11 H SER 11 1.851 -0.187 -6.071 74 HA SER 11 HA SER 11 1.204 1.641 -3.904 75 1HB SER 11 2HB SER 11 2.716 2.330 -5.723 76 2HB SER 11 1HB SER 11 1.425 2.103 -6.899 77 HG SER 11 HG SER 11 1.465 3.931 -4.722 78 H CYS 12 H CYS 12 -0.838 2.532 -3.465 79 HA CYS 12 HA CYS 12 -3.204 1.237 -4.089 80 1HB CYS 12 2HB CYS 12 -2.864 4.199 -3.692 81 2HB CYS 12 1HB CYS 12 -4.360 3.316 -3.495 82 H GLY 13 H GLY 13 -2.211 4.312 -5.651 83 1HA GLY 13 2HA GLY 13 -3.250 3.341 -8.244 84 2HA GLY 13 1HA GLY 13 -4.018 4.779 -7.573 85 H GLY 14 H GLY 14 -1.878 6.110 -6.475 86 1HA GLY 14 2HA GLY 14 -0.190 6.690 -8.878 87 2HA GLY 14 1HA GLY 14 -0.685 7.917 -7.710 88 H ARG 15 H ARG 15 2.027 6.653 -8.611 89 HA ARG 15 HA ARG 15 3.114 5.420 -6.226 90 1HB ARG 15 2HB ARG 15 4.229 6.484 -8.795 91 2HB ARG 15 1HB ARG 15 5.335 6.206 -7.449 92 1HG ARG 15 2HG ARG 15 4.303 3.879 -7.255 93 2HG ARG 15 1HG ARG 15 3.535 4.194 -8.811 94 1HD ARG 15 2HD ARG 15 5.781 4.654 -9.790 95 2HD ARG 15 1HD ARG 15 6.512 4.221 -8.246 96 HE ARG 15 HE ARG 15 4.783 2.210 -9.582 97 1HH1 ARG 15 1HH2 ARG 15 7.128 2.403 -7.332 98 2HH1 ARG 15 2HH2 ARG 15 8.245 1.306 -8.074 99 1HH2 ARG 15 2HH1 ARG 15 6.540 1.196 -11.091 100 2HH2 ARG 15 1HH1 ARG 15 7.912 0.623 -10.203 101 H VAL 16 H VAL 16 2.859 6.747 -4.418 102 HA VAL 16 HA VAL 16 4.441 9.223 -4.421 103 HB VAL 16 HB VAL 16 1.647 8.973 -3.289 104 1HG1 VAL 16 3HG1 VAL 16 3.817 10.998 -3.068 105 2HG1 VAL 16 2HG1 VAL 16 2.192 11.627 -3.341 106 3HG1 VAL 16 1HG1 VAL 16 2.522 10.613 -1.936 107 1HG2 VAL 16 1HG2 VAL 16 2.758 10.041 -5.854 108 2HG2 VAL 16 3HG2 VAL 16 1.226 9.223 -5.552 109 3HG2 VAL 16 2HG2 VAL 16 1.423 10.917 -5.106 110 H ASN 17 H ASN 17 5.418 6.891 -3.397 111 HA ASN 17 HA ASN 17 6.323 5.953 -1.448 112 1HB ASN 17 2HB ASN 17 6.695 8.548 -1.141 113 2HB ASN 17 1HB ASN 17 5.465 8.372 0.109 114 1HD2 ASN 17 2HD2 ASN 17 8.827 7.750 1.658 115 2HD2 ASN 17 1HD2 ASN 17 8.127 9.057 0.831 116 H ARG 18 H ARG 18 4.046 4.781 -1.880 117 HA ARG 18 HA ARG 18 2.946 4.248 0.754 118 1HB ARG 18 2HB ARG 18 1.736 6.369 -0.047 119 2HB ARG 18 1HB ARG 18 0.987 5.343 -1.272 120 1HG ARG 18 2HG ARG 18 0.559 3.816 0.922 121 2HG ARG 18 1HG ARG 18 0.546 5.416 1.664 122 1HD ARG 18 2HD ARG 18 -1.094 4.674 -0.771 123 2HD ARG 18 1HD ARG 18 -1.717 4.653 0.879 124 HE ARG 18 HE ARG 18 -1.350 7.101 0.953 125 1HH1 ARG 18 1HH2 ARG 18 0.401 8.116 -0.864 126 2HH1 ARG 18 2HH2 ARG 18 -0.471 8.401 -2.333 127 1HH2 ARG 18 2HH1 ARG 18 -3.118 6.330 -1.469 128 2HH2 ARG 18 1HH1 ARG 18 -2.465 7.384 -2.678 129 H CYS 19 H CYS 19 3.234 2.065 0.438 130 HA CYS 19 HA CYS 19 1.944 0.862 -1.963 131 1HB CYS 19 2HB CYS 19 3.576 -1.011 -1.604 132 2HB CYS 19 1HB CYS 19 4.325 0.508 -2.062 133 H ILE 20 H ILE 20 1.291 -1.465 -1.542 134 HA ILE 20 HA ILE 20 0.482 -2.082 1.232 135 HB ILE 20 HB ILE 20 -1.780 -2.724 -0.430 136 1HG1 ILE 20 2HG1 ILE 20 -0.885 0.170 -0.644 137 2HG1 ILE 20 1HG1 ILE 20 -1.242 -0.934 -1.961 138 1HG2 ILE 20 1HG2 ILE 20 -1.349 -1.991 2.132 139 2HG2 ILE 20 3HG2 ILE 20 -1.981 -0.475 1.487 140 3HG2 ILE 20 2HG2 ILE 20 -2.937 -1.952 1.367 141 1HD1 ILE 20 2HD1 ILE 20 -3.614 -1.065 -0.771 142 2HD1 ILE 20 1HD1 ILE 20 -3.130 0.507 -0.139 143 3HD1 ILE 20 3HD1 ILE 20 -3.238 0.251 -1.882 144 HA PRO 21 HA PRO 21 1.352 -6.165 -0.212 145 1HB PRO 21 2HB PRO 21 -0.568 -7.714 1.005 146 2HB PRO 21 1HB PRO 21 0.815 -7.040 1.855 147 1HG PRO 21 2HG PRO 21 -1.993 -6.145 1.891 148 2HG PRO 21 1HG PRO 21 -0.785 -6.024 3.165 149 1HD PRO 21 2HD PRO 21 -1.615 -3.939 1.517 150 2HD PRO 21 1HD PRO 21 -0.107 -3.974 2.434 151 H GLN 22 H GLN 22 0.439 -8.071 -1.442 152 HA GLN 22 HA GLN 22 -1.292 -7.203 -3.573 153 1HB GLN 22 2HB GLN 22 0.402 -9.416 -3.050 154 2HB GLN 22 1HB GLN 22 -1.186 -10.049 -3.453 155 1HG GLN 22 2HG GLN 22 -0.527 -9.772 -5.610 156 2HG GLN 22 1HG GLN 22 -0.902 -8.073 -5.331 157 1HE2 GLN 22 2HE2 GLN 22 2.439 -7.100 -5.789 158 2HE2 GLN 22 1HE2 GLN 22 0.794 -6.684 -5.822 159 H PHE 23 H PHE 23 -1.800 -8.764 -0.497 160 HA PHE 23 HA PHE 23 -4.423 -9.813 -1.053 161 1HB PHE 23 2HB PHE 23 -2.803 -10.420 0.863 162 2HB PHE 23 1HB PHE 23 -3.479 -9.004 1.649 163 HD1 PHE 23 HD2 PHE 23 -5.884 -8.885 2.223 164 HD2 PHE 23 HD1 PHE 23 -4.128 -12.422 0.532 165 HE1 PHE 23 HE2 PHE 23 -7.881 -10.195 2.889 166 HE2 PHE 23 HE1 PHE 23 -6.126 -13.732 1.198 167 HZ PHE 23 HZ PHE 23 -8.002 -12.618 2.377 168 H TRP 24 H TRP 24 -3.207 -6.634 -0.287 169 HA TRP 24 HA TRP 24 -5.886 -5.691 0.517 170 1HB TRP 24 2HB TRP 24 -3.149 -4.538 0.498 171 2HB TRP 24 1HB TRP 24 -4.516 -3.443 0.567 172 HD1 TRP 24 HD1 TRP 24 -3.859 -6.860 2.250 173 HE1 TRP 24 HE1 TRP 24 -4.321 -6.649 4.772 174 HE3 TRP 24 HE3 TRP 24 -4.983 -1.843 2.565 175 HZ2 TRP 24 HZ2 TRP 24 -5.064 -4.669 6.665 176 HZ3 TRP 24 HZ3 TRP 24 -5.577 -0.865 4.763 177 HH2 TRP 24 HH2 TRP 24 -5.603 -2.256 6.803 178 H ARG 25 H ARG 25 -5.093 -6.638 -2.308 179 HA ARG 25 HA ARG 25 -5.682 -4.161 -3.849 180 1HB ARG 25 2HB ARG 25 -4.415 -6.777 -4.442 181 2HB ARG 25 1HB ARG 25 -5.505 -6.195 -5.700 182 1HG ARG 25 2HG ARG 25 -3.374 -4.444 -4.474 183 2HG ARG 25 1HG ARG 25 -3.069 -5.443 -5.894 184 1HD ARG 25 2HD ARG 25 -5.258 -3.355 -5.675 185 2HD ARG 25 1HD ARG 25 -3.721 -3.126 -6.511 186 HE ARG 25 HE ARG 25 -5.963 -4.805 -7.443 187 1HH1 ARG 25 2HH1 ARG 25 -3.259 -6.194 -7.740 188 2HH1 ARG 25 1HH1 ARG 25 -2.812 -5.710 -9.342 189 1HH2 ARG 25 1HH2 ARG 25 -5.142 -3.148 -9.508 190 2HH2 ARG 25 2HH2 ARG 25 -3.876 -3.988 -10.342 191 H CYS 26 H CYS 26 -7.684 -3.940 -4.856 192 HA CYS 26 HA CYS 26 -9.872 -4.488 -5.592 193 1HB CYS 26 2HB CYS 26 -9.689 -7.142 -4.131 194 2HB CYS 26 1HB CYS 26 -10.843 -6.667 -5.372 195 H ASP 27 H ASP 27 -9.065 -5.758 -2.348 196 HA ASP 27 HA ASP 27 -11.388 -4.351 -1.212 197 1HB ASP 27 2HB ASP 27 -9.397 -6.320 -0.129 198 2HB ASP 27 1HB ASP 27 -10.554 -5.497 0.903 199 H GLY 28 H GLY 28 -8.100 -4.845 0.008 200 1HA GLY 28 2HA GLY 28 -6.438 -3.354 0.660 201 2HA GLY 28 1HA GLY 28 -7.242 -2.120 -0.315 202 H GLN 29 H GLN 29 -9.580 -3.253 1.807 203 HA GLN 29 HA GLN 29 -10.596 -2.115 3.609 204 1HB GLN 29 2HB GLN 29 -7.769 -1.592 4.582 205 2HB GLN 29 1HB GLN 29 -9.211 -1.848 5.545 206 1HG GLN 29 2HG GLN 29 -9.013 -4.147 4.007 207 2HG GLN 29 1HG GLN 29 -7.355 -3.769 4.451 208 1HE2 GLN 29 2HE2 GLN 29 -9.165 -5.762 7.176 209 2HE2 GLN 29 1HE2 GLN 29 -9.115 -5.987 5.493 210 H VAL 30 H VAL 30 -8.290 0.212 4.521 211 HA VAL 30 HA VAL 30 -8.681 1.880 2.208 212 HB VAL 30 HB VAL 30 -10.069 2.419 4.810 213 1HG1 VAL 30 3HG1 VAL 30 -8.805 4.403 2.998 214 2HG1 VAL 30 2HG1 VAL 30 -10.509 4.703 3.342 215 3HG1 VAL 30 1HG1 VAL 30 -9.347 4.599 4.665 216 1HG2 VAL 30 2HG2 VAL 30 -10.684 2.250 1.869 217 2HG2 VAL 30 1HG2 VAL 30 -11.411 1.351 3.200 218 3HG2 VAL 30 3HG2 VAL 30 -11.804 3.055 2.969 219 H ASP 31 H ASP 31 -6.403 1.205 2.473 220 HA ASP 31 HA ASP 31 -4.857 2.832 4.409 221 1HB ASP 31 2HB ASP 31 -4.339 0.395 4.133 222 2HB ASP 31 1HB ASP 31 -3.909 0.739 2.475 223 H CYS 32 H CYS 32 -6.320 3.866 1.945 224 HA CYS 32 HA CYS 32 -3.936 5.125 0.660 225 1HB CYS 32 2HB CYS 32 -6.424 4.196 -0.804 226 2HB CYS 32 1HB CYS 32 -4.968 4.877 -1.529 227 H ASP 33 H ASP 33 -4.873 7.042 -0.813 228 HA ASP 33 HA ASP 33 -6.041 8.944 0.981 229 1HB ASP 33 2HB ASP 33 -5.529 8.924 -1.992 230 2HB ASP 33 1HB ASP 33 -6.348 10.282 -1.219 231 H ASN 34 H ASN 34 -7.515 8.193 -2.180 232 HA ASN 34 HA ASN 34 -10.181 8.336 -0.857 233 1HB ASN 34 2HB ASN 34 -11.032 8.586 -3.205 234 2HB ASN 34 1HB ASN 34 -9.902 9.858 -2.739 235 1HD2 ASN 34 2HD2 ASN 34 -7.497 8.967 -5.165 236 2HD2 ASN 34 1HD2 ASN 34 -7.922 10.014 -3.899 237 H GLY 35 H GLY 35 -8.641 5.973 -0.501 238 1HA GLY 35 2HA GLY 35 -8.895 3.644 -0.637 239 2HA GLY 35 1HA GLY 35 -10.523 3.957 -1.242 240 H SER 36 H SER 36 -7.294 4.712 -2.577 241 HA SER 36 HA SER 36 -8.187 3.837 -5.228 242 1HB SER 36 2HB SER 36 -5.319 4.431 -4.812 243 2HB SER 36 1HB SER 36 -6.424 5.017 -6.049 244 HG SER 36 HG SER 36 -6.808 6.703 -4.860 245 H ASP 37 H ASP 37 -7.004 2.158 -2.563 246 HA ASP 37 HA ASP 37 -5.045 0.421 -3.543 247 1HB ASP 37 2HB ASP 37 -6.105 -1.286 -1.952 248 2HB ASP 37 1HB ASP 37 -5.620 0.229 -1.240 249 H GLU 38 H GLU 38 -8.438 0.586 -4.338 250 HA GLU 38 HA GLU 38 -8.094 -1.826 -6.074 251 1HB GLU 38 2HB GLU 38 -10.577 -2.108 -5.870 252 2HB GLU 38 1HB GLU 38 -9.719 -2.301 -4.343 253 1HG GLU 38 2HG GLU 38 -10.438 -0.225 -3.521 254 2HG GLU 38 1HG GLU 38 -10.811 0.392 -5.129 255 H GLN 39 H GLN 39 -7.179 0.190 -7.365 256 HA GLN 39 HA GLN 39 -9.223 1.863 -8.617 257 1HB GLN 39 2HB GLN 39 -6.709 2.393 -8.107 258 2HB GLN 39 1HB GLN 39 -6.458 1.587 -9.646 259 1HG GLN 39 2HG GLN 39 -8.425 3.850 -9.283 260 2HG GLN 39 1HG GLN 39 -6.760 4.096 -9.811 261 1HE2 GLN 39 2HE2 GLN 39 -9.513 2.779 -12.464 262 2HE2 GLN 39 1HE2 GLN 39 -9.931 3.193 -10.871 263 H GLY 40 H GLY 40 -6.900 -0.572 -9.825 264 1HA GLY 40 2HA GLY 40 -8.363 -0.815 -12.354 265 2HA GLY 40 1HA GLY 40 -6.938 -1.744 -11.887 266 H CYS 41 HN CYS 41 -7.746 -2.922 -9.531 267 HA CYS 41 HA CYS 41 -9.396 -5.087 -10.467 268 1HB CYS 41 2HB CYS 41 -7.639 -5.279 -8.678 269 2HB CYS 41 1HB CYS 41 -8.708 -4.383 -7.598 No H/Q in entry = 269 Start of MODEL 3 Raw file had 276 H/Q atoms Start of MODEL 3 1 1H LEU 1 3H LEU 1 15.740 5.455 -8.924 2 2H LEU 1 2H LEU 1 16.252 6.797 -9.832 3 3H LEU 1 1H LEU 1 17.363 5.946 -8.869 4 HA LEU 1 HA LEU 1 16.933 7.783 -7.572 5 1HB LEU 1 2HB LEU 1 14.679 7.985 -9.216 6 2HB LEU 1 1HB LEU 1 14.004 7.767 -7.605 7 HG LEU 1 HG LEU 1 14.344 10.156 -8.092 8 1HD1 LEU 1 3HD1 LEU 1 15.780 8.752 -5.913 9 2HD1 LEU 1 2HD1 LEU 1 16.268 10.424 -6.183 10 3HD1 LEU 1 1HD1 LEU 1 14.584 10.043 -5.828 11 1HD2 LEU 1 2HD2 LEU 1 16.458 9.459 -9.563 12 2HD2 LEU 1 1HD2 LEU 1 16.337 11.060 -8.834 13 3HD2 LEU 1 3HD2 LEU 1 17.314 9.812 -8.062 14 H SER 2 H SER 2 17.324 5.167 -6.824 15 HA SER 2 HA SER 2 17.029 3.695 -5.021 16 1HB SER 2 2HB SER 2 15.922 6.291 -4.015 17 2HB SER 2 1HB SER 2 15.665 4.837 -3.055 18 HG SER 2 HG SER 2 17.603 5.401 -2.371 19 H VAL 3 H VAL 3 15.676 2.218 -6.142 20 HA VAL 3 HA VAL 3 12.917 2.522 -6.628 21 HB VAL 3 HB VAL 3 14.288 0.762 -7.668 22 1HG1 VAL 3 2HG1 VAL 3 14.387 -0.303 -4.839 23 2HG1 VAL 3 1HG1 VAL 3 14.757 -1.299 -6.247 24 3HG1 VAL 3 3HG1 VAL 3 15.745 0.117 -5.884 25 1HG2 VAL 3 2HG2 VAL 3 11.779 0.506 -7.396 26 2HG2 VAL 3 1HG2 VAL 3 12.658 -1.012 -7.586 27 3HG2 VAL 3 3HG2 VAL 3 12.106 -0.508 -5.989 28 H THR 4 H THR 4 11.069 1.657 -5.474 29 HA THR 4 HA THR 4 11.533 0.949 -2.621 30 HB THR 4 HB THR 4 9.512 2.485 -2.110 31 HG1 THR 4 HG1 THR 4 8.847 3.086 -4.085 32 1HG2 THR 4 3HG2 THR 4 12.182 3.673 -2.908 33 2HG2 THR 4 2HG2 THR 4 11.003 4.439 -1.843 34 3HG2 THR 4 1HG2 THR 4 11.802 2.946 -1.348 35 H CYS 5 H CYS 5 9.995 -0.479 -1.803 36 HA CYS 5 HA CYS 5 8.320 -2.109 -1.882 37 1HB CYS 5 2HB CYS 5 7.198 0.197 -3.328 38 2HB CYS 5 1HB CYS 5 6.375 -1.337 -3.577 39 H LYS 6 H LYS 6 9.903 -3.518 -3.001 40 HA LYS 6 HA LYS 6 8.969 -4.157 -5.756 41 1HB LYS 6 2HB LYS 6 11.340 -4.569 -6.431 42 2HB LYS 6 1HB LYS 6 11.019 -2.875 -6.060 43 1HG LYS 6 2HG LYS 6 11.786 -3.552 -3.637 44 2HG LYS 6 1HG LYS 6 12.564 -4.900 -4.467 45 1HD LYS 6 2HD LYS 6 13.345 -2.885 -6.083 46 2HD LYS 6 1HD LYS 6 13.195 -1.995 -4.567 47 1HE LYS 6 2HE LYS 6 14.636 -4.630 -4.597 48 2HE LYS 6 1HE LYS 6 15.467 -3.177 -5.150 49 1HZ LYS 6 2HZ LYS 6 14.060 -3.355 -2.547 50 2HZ LYS 6 1HZ LYS 6 15.715 -3.688 -2.734 51 3HZ LYS 6 3HZ LYS 6 15.121 -2.136 -3.073 52 H SER 7 H SER 7 7.886 -5.677 -4.019 53 HA SER 7 HA SER 7 9.260 -8.258 -4.229 54 1HB SER 7 2HB SER 7 9.116 -6.745 -1.684 55 2HB SER 7 1HB SER 7 8.643 -8.439 -1.586 56 HG SER 7 HG SER 7 11.093 -7.295 -2.397 57 H GLY 8 H GLY 8 6.739 -7.037 -2.016 58 1HA GLY 8 2HA GLY 8 4.678 -8.458 -3.618 59 2HA GLY 8 1HA GLY 8 4.861 -8.905 -1.921 60 H ASP 9 H ASP 9 5.420 -5.594 -2.882 61 HA ASP 9 HA ASP 9 3.115 -4.742 -1.242 62 1HB ASP 9 2HB ASP 9 5.026 -2.889 -2.646 63 2HB ASP 9 1HB ASP 9 4.153 -2.638 -1.146 64 H PHE 10 H PHE 10 2.438 -2.369 -2.383 65 HA PHE 10 HA PHE 10 2.139 -2.402 -5.197 66 1HB PHE 10 2HB PHE 10 0.238 -3.574 -5.619 67 2HB PHE 10 1HB PHE 10 0.445 -4.261 -4.018 68 HD1 PHE 10 HD1 PHE 10 -1.172 -1.382 -5.819 69 HD2 PHE 10 HD2 PHE 10 -1.213 -3.936 -2.363 70 HE1 PHE 10 HE1 PHE 10 -3.347 -0.389 -5.118 71 HE2 PHE 10 HE2 PHE 10 -3.384 -2.949 -1.672 72 HZ PHE 10 HZ PHE 10 -4.452 -1.212 -3.034 73 H SER 11 H SER 11 1.960 -0.275 -5.672 74 HA SER 11 HA SER 11 1.244 1.662 -3.638 75 1HB SER 11 2HB SER 11 1.180 3.207 -5.744 76 2HB SER 11 1HB SER 11 2.724 2.517 -5.252 77 HG SER 11 HG SER 11 1.130 1.979 -7.457 78 H CYS 12 H CYS 12 -0.786 2.550 -3.269 79 HA CYS 12 HA CYS 12 -3.146 1.237 -3.873 80 1HB CYS 12 2HB CYS 12 -2.820 4.204 -3.550 81 2HB CYS 12 1HB CYS 12 -4.309 3.314 -3.319 82 H GLY 13 H GLY 13 -2.357 4.349 -5.479 83 1HA GLY 13 2HA GLY 13 -3.998 3.484 -7.800 84 2HA GLY 13 1HA GLY 13 -3.468 5.136 -7.479 85 H GLY 14 H GLY 14 -1.317 5.740 -8.044 86 1HA GLY 14 2HA GLY 14 0.483 3.780 -9.271 87 2HA GLY 14 1HA GLY 14 -0.227 4.919 -10.418 88 H ARG 15 H ARG 15 0.531 5.755 -7.086 89 HA ARG 15 HA ARG 15 2.787 7.456 -8.077 90 1HB ARG 15 2HB ARG 15 0.384 8.159 -6.472 91 2HB ARG 15 1HB ARG 15 1.908 8.866 -5.938 92 1HG ARG 15 2HG ARG 15 1.155 8.952 -8.848 93 2HG ARG 15 1HG ARG 15 0.481 10.135 -7.727 94 1HD ARG 15 2HD ARG 15 2.656 10.930 -7.115 95 2HD ARG 15 1HD ARG 15 3.450 9.582 -7.929 96 HE ARG 15 HE ARG 15 2.051 10.833 -9.962 97 1HH1 ARG 15 1HH2 ARG 15 2.496 13.257 -8.122 98 2HH1 ARG 15 2HH2 ARG 15 3.955 13.906 -8.794 99 1HH2 ARG 15 2HH1 ARG 15 4.713 11.041 -10.596 100 2HH2 ARG 15 1HH1 ARG 15 5.209 12.652 -10.196 101 H VAL 16 H VAL 16 4.389 7.953 -6.363 102 HA VAL 16 HA VAL 16 4.810 5.639 -4.637 103 HB VAL 16 HB VAL 16 6.668 6.456 -6.010 104 1HG1 VAL 16 3HG1 VAL 16 5.883 9.032 -4.760 105 2HG1 VAL 16 2HG1 VAL 16 7.614 8.760 -4.956 106 3HG1 VAL 16 1HG1 VAL 16 6.550 8.709 -6.360 107 1HG2 VAL 16 2HG2 VAL 16 6.852 5.688 -3.430 108 2HG2 VAL 16 1HG2 VAL 16 8.265 6.121 -4.390 109 3HG2 VAL 16 3HG2 VAL 16 7.549 7.302 -3.294 110 H ASN 17 H ASN 17 2.687 6.786 -3.561 111 HA ASN 17 HA ASN 17 3.637 8.680 -1.463 112 1HB ASN 17 2HB ASN 17 1.355 8.712 -3.080 113 2HB ASN 17 1HB ASN 17 0.756 8.162 -1.516 114 1HD2 ASN 17 2HD2 ASN 17 0.963 11.371 -0.093 115 2HD2 ASN 17 1HD2 ASN 17 0.342 9.793 -0.009 116 H ARG 18 H ARG 18 1.837 5.634 -1.911 117 HA ARG 18 HA ARG 18 2.640 4.867 0.844 118 1HB ARG 18 2HB ARG 18 0.120 5.817 0.423 119 2HB ARG 18 1HB ARG 18 -0.126 4.099 0.100 120 1HG ARG 18 2HG ARG 18 1.401 3.964 2.353 121 2HG ARG 18 1HG ARG 18 0.532 5.472 2.644 122 1HD ARG 18 2HD ARG 18 -1.611 4.296 2.189 123 2HD ARG 18 1HD ARG 18 -0.720 2.787 1.990 124 HE ARG 18 HE ARG 18 -0.450 2.689 4.344 125 1HH1 ARG 18 2HH1 ARG 18 -2.834 4.840 3.713 126 2HH1 ARG 18 1HH1 ARG 18 -2.599 5.841 5.106 127 1HH2 ARG 18 1HH2 ARG 18 0.428 4.389 5.967 128 2HH2 ARG 18 2HH2 ARG 18 -0.751 5.588 6.382 129 H CYS 19 H CYS 19 1.727 2.435 1.133 130 HA CYS 19 HA CYS 19 1.912 0.909 -1.377 131 1HB CYS 19 2HB CYS 19 4.195 1.380 0.180 132 2HB CYS 19 1HB CYS 19 3.708 -0.267 0.549 133 H ILE 20 H ILE 20 1.261 -1.340 -1.076 134 HA ILE 20 HA ILE 20 0.256 -2.136 1.579 135 HB ILE 20 HB ILE 20 -1.895 -2.767 -0.210 136 1HG1 ILE 20 2HG1 ILE 20 -1.090 0.164 -0.287 137 2HG1 ILE 20 1HG1 ILE 20 -1.316 -0.913 -1.659 138 1HG2 ILE 20 1HG2 ILE 20 -1.626 -2.136 2.390 139 2HG2 ILE 20 3HG2 ILE 20 -2.207 -0.584 1.786 140 3HG2 ILE 20 2HG2 ILE 20 -3.172 -2.040 1.545 141 1HD1 ILE 20 2HD1 ILE 20 -3.745 -1.179 -0.699 142 2HD1 ILE 20 1HD1 ILE 20 -3.384 0.339 0.124 143 3HD1 ILE 20 3HD1 ILE 20 -3.337 0.256 -1.638 144 HA PRO 21 HA PRO 21 1.364 -6.116 0.048 145 1HB PRO 21 2HB PRO 21 -0.517 -7.759 1.208 146 2HB PRO 21 1HB PRO 21 0.836 -7.053 2.083 147 1HG PRO 21 2HG PRO 21 -2.008 -6.272 2.133 148 2HG PRO 21 1HG PRO 21 -0.796 -6.105 3.397 149 1HD PRO 21 2HD PRO 21 -1.729 -4.051 1.750 150 2HD PRO 21 1HD PRO 21 -0.238 -4.016 2.694 151 H GLN 22 H GLN 22 0.682 -7.932 -1.338 152 HA GLN 22 HA GLN 22 -0.955 -7.179 -3.526 153 1HB GLN 22 2HB GLN 22 0.570 -9.479 -2.702 154 2HB GLN 22 1HB GLN 22 -0.921 -9.977 -3.487 155 1HG GLN 22 2HG GLN 22 -0.396 -8.754 -5.469 156 2HG GLN 22 1HG GLN 22 0.919 -7.892 -4.672 157 1HE2 GLN 22 2HE2 GLN 22 3.078 -10.316 -6.091 158 2HE2 GLN 22 1HE2 GLN 22 2.623 -8.681 -6.049 159 H PHE 23 H PHE 23 -1.736 -8.786 -0.512 160 HA PHE 23 HA PHE 23 -4.300 -9.811 -1.300 161 1HB PHE 23 2HB PHE 23 -2.956 -10.455 0.764 162 2HB PHE 23 1HB PHE 23 -3.567 -8.964 1.465 163 HD1 PHE 23 HD1 PHE 23 -4.654 -12.145 -0.129 164 HD2 PHE 23 HD2 PHE 23 -5.751 -8.829 2.370 165 HE1 PHE 23 HE1 PHE 23 -6.798 -13.265 0.415 166 HE2 PHE 23 HE2 PHE 23 -7.896 -9.949 2.915 167 HZ PHE 23 HZ PHE 23 -8.418 -12.167 1.938 168 H TRP 24 H TRP 24 -3.239 -6.721 0.102 169 HA TRP 24 HA TRP 24 -5.952 -5.728 0.374 170 1HB TRP 24 2HB TRP 24 -3.229 -4.568 0.629 171 2HB TRP 24 1HB TRP 24 -4.617 -3.496 0.602 172 HD1 TRP 24 HD1 TRP 24 -3.851 -6.882 2.323 173 HE1 TRP 24 HE1 TRP 24 -4.629 -6.750 4.774 174 HE3 TRP 24 HE3 TRP 24 -5.551 -2.035 2.484 175 HZ2 TRP 24 HZ2 TRP 24 -5.812 -4.875 6.561 176 HZ3 TRP 24 HZ3 TRP 24 -6.513 -1.137 4.581 177 HH2 TRP 24 HH2 TRP 24 -6.633 -2.537 6.616 178 H ARG 25 H ARG 25 -4.044 -6.277 -2.355 179 HA ARG 25 HA ARG 25 -4.780 -3.924 -3.895 180 1HB ARG 25 2HB ARG 25 -2.849 -5.354 -4.535 181 2HB ARG 25 1HB ARG 25 -3.950 -6.701 -4.825 182 1HG ARG 25 2HG ARG 25 -3.531 -5.714 -6.967 183 2HG ARG 25 1HG ARG 25 -5.151 -5.198 -6.499 184 1HD ARG 25 2HD ARG 25 -4.154 -3.079 -5.600 185 2HD ARG 25 1HD ARG 25 -2.597 -3.589 -6.251 186 HE ARG 25 HE ARG 25 -4.431 -3.715 -8.387 187 1HH1 ARG 25 2HH1 ARG 25 -5.267 -1.231 -6.674 188 2HH1 ARG 25 1HH1 ARG 25 -4.466 0.017 -7.567 189 1HH2 ARG 25 1HH2 ARG 25 -2.455 -2.177 -9.346 190 2HH2 ARG 25 2HH2 ARG 25 -2.871 -0.517 -9.076 191 H CYS 26 H CYS 26 -6.571 -3.719 -5.266 192 HA CYS 26 HA CYS 26 -8.620 -4.250 -6.309 193 1HB CYS 26 2HB CYS 26 -8.674 -6.910 -4.854 194 2HB CYS 26 1HB CYS 26 -9.600 -6.430 -6.272 195 H ASP 27 H ASP 27 -8.441 -5.552 -2.961 196 HA ASP 27 HA ASP 27 -10.932 -4.104 -2.325 197 1HB ASP 27 2HB ASP 27 -9.314 -6.192 -0.912 198 2HB ASP 27 1HB ASP 27 -10.622 -5.335 -0.113 199 H GLY 28 H GLY 28 -8.072 -4.744 -0.345 200 1HA GLY 28 2HA GLY 28 -6.558 -3.297 0.700 201 2HA GLY 28 1HA GLY 28 -7.137 -2.015 -0.366 202 H GLN 29 H GLN 29 -9.897 -3.164 1.097 203 HA GLN 29 HA GLN 29 -11.273 -2.072 2.682 204 1HB GLN 29 2HB GLN 29 -8.682 -1.790 4.258 205 2HB GLN 29 1HB GLN 29 -10.314 -1.868 4.902 206 1HG GLN 29 2HG GLN 29 -10.170 -4.173 3.445 207 2HG GLN 29 1HG GLN 29 -8.527 -3.997 4.049 208 1HE2 GLN 29 2HE2 GLN 29 -10.719 -5.757 6.613 209 2HE2 GLN 29 1HE2 GLN 29 -10.467 -6.037 4.957 210 H VAL 30 H VAL 30 -8.895 0.039 4.065 211 HA VAL 30 HA VAL 30 -8.878 1.869 1.875 212 HB VAL 30 HB VAL 30 -10.638 2.330 4.250 213 1HG1 VAL 30 3HG1 VAL 30 -8.986 4.380 2.826 214 2HG1 VAL 30 2HG1 VAL 30 -10.679 4.784 3.110 215 3HG1 VAL 30 1HG1 VAL 30 -9.623 4.409 4.470 216 1HG2 VAL 30 1HG2 VAL 30 -10.732 2.426 1.259 217 2HG2 VAL 30 3HG2 VAL 30 -11.832 1.634 2.386 218 3HG2 VAL 30 2HG2 VAL 30 -11.894 3.384 2.176 219 H ASP 31 H ASP 31 -6.695 1.120 2.352 220 HA ASP 31 HA ASP 31 -5.386 2.493 4.642 221 1HB ASP 31 2HB ASP 31 -5.001 0.030 4.321 222 2HB ASP 31 1HB ASP 31 -4.257 0.421 2.789 223 H CYS 32 H CYS 32 -6.356 3.827 2.185 224 HA CYS 32 HA CYS 32 -3.711 4.804 1.183 225 1HB CYS 32 2HB CYS 32 -6.230 4.352 -0.444 226 2HB CYS 32 1HB CYS 32 -4.717 5.015 -1.063 227 H ASP 33 H ASP 33 -4.046 6.994 0.013 228 HA ASP 33 HA ASP 33 -4.986 8.906 1.874 229 1HB ASP 33 2HB ASP 33 -4.734 10.544 0.024 230 2HB ASP 33 1HB ASP 33 -3.347 9.462 0.142 231 H ASN 34 H ASN 34 -6.619 7.520 -0.966 232 HA ASN 34 HA ASN 34 -9.175 8.579 0.129 233 1HB ASN 34 2HB ASN 34 -9.910 9.267 -2.123 234 2HB ASN 34 1HB ASN 34 -8.471 10.156 -1.631 235 1HD2 ASN 34 2HD2 ASN 34 -8.180 8.591 -5.139 236 2HD2 ASN 34 1HD2 ASN 34 -9.496 9.379 -4.409 237 H GLY 35 H GLY 35 -7.919 5.914 0.096 238 1HA GLY 35 2HA GLY 35 -8.663 3.706 -0.188 239 2HA GLY 35 1HA GLY 35 -10.217 4.375 -0.691 240 H SER 36 H SER 36 -7.022 4.876 -2.180 241 HA SER 36 HA SER 36 -8.149 4.248 -4.806 242 1HB SER 36 2HB SER 36 -5.266 4.413 -4.871 243 2HB SER 36 1HB SER 36 -6.454 5.508 -5.568 244 HG SER 36 HG SER 36 -4.937 6.294 -3.840 245 H ASP 37 H ASP 37 -6.776 2.378 -2.298 246 HA ASP 37 HA ASP 37 -5.233 0.444 -3.588 247 1HB ASP 37 2HB ASP 37 -6.181 -1.142 -1.829 248 2HB ASP 37 1HB ASP 37 -5.456 0.319 -1.219 249 H GLU 38 H GLU 38 -8.670 0.992 -3.799 250 HA GLU 38 HA GLU 38 -9.074 -1.582 -5.232 251 1HB GLU 38 2HB GLU 38 -10.725 -0.866 -3.489 252 2HB GLU 38 1HB GLU 38 -11.105 0.544 -4.479 253 1HG GLU 38 2HG GLU 38 -12.249 -0.688 -6.040 254 2HG GLU 38 1HG GLU 38 -11.207 -2.096 -5.846 255 H GLN 39 H GLN 39 -7.428 -0.095 -6.711 256 HA GLN 39 HA GLN 39 -8.975 1.570 -8.590 257 1HB GLN 39 2HB GLN 39 -6.531 1.916 -7.586 258 2HB GLN 39 1HB GLN 39 -6.122 0.949 -8.991 259 1HG GLN 39 2HG GLN 39 -7.901 3.375 -9.189 260 2HG GLN 39 1HG GLN 39 -6.147 3.487 -9.339 261 1HE2 GLN 39 2HE2 GLN 39 -6.061 2.098 -12.596 262 2HE2 GLN 39 1HE2 GLN 39 -5.153 2.635 -11.265 263 H GLY 40 H GLY 40 -9.974 -0.902 -8.833 264 1HA GLY 40 2HA GLY 40 -10.481 -2.389 -10.607 265 2HA GLY 40 1HA GLY 40 -9.139 -1.702 -11.523 266 H CYS 41 HN CYS 41 -10.107 -4.531 -10.327 267 HA CYS 41 HA CYS 41 -7.588 -5.398 -9.064 268 1HB CYS 41 2HB CYS 41 -9.942 -6.220 -8.427 269 2HB CYS 41 1HB CYS 41 -9.882 -7.173 -9.909 No H/Q in entry = 269 Start of MODEL 4 Raw file had 276 H/Q atoms Start of MODEL 4 1 1H LEU 1 2H LEU 1 16.343 1.335 -11.633 2 2H LEU 1 1H LEU 1 17.195 2.805 -11.649 3 3H LEU 1 3H LEU 1 16.282 2.371 -10.287 4 HA LEU 1 HA LEU 1 14.990 3.960 -11.410 5 1HB LEU 1 2HB LEU 1 15.886 2.402 -13.825 6 2HB LEU 1 1HB LEU 1 14.421 3.381 -13.896 7 HG LEU 1 HG LEU 1 16.837 4.661 -12.716 8 1HD1 LEU 1 3HD1 LEU 1 16.506 4.036 -15.663 9 2HD1 LEU 1 2HD1 LEU 1 17.586 5.288 -15.048 10 3HD1 LEU 1 1HD1 LEU 1 17.862 3.599 -14.625 11 1HD2 LEU 1 3HD2 LEU 1 14.360 5.390 -14.206 12 2HD2 LEU 1 2HD2 LEU 1 15.116 6.186 -12.826 13 3HD2 LEU 1 1HD2 LEU 1 15.767 6.426 -14.447 14 H SER 2 H SER 2 13.803 2.574 -9.773 15 HA SER 2 HA SER 2 11.434 1.433 -10.994 16 1HB SER 2 2HB SER 2 13.489 -0.398 -9.752 17 2HB SER 2 1HB SER 2 11.784 -0.833 -9.819 18 HG SER 2 HG SER 2 13.143 -1.520 -11.638 19 H VAL 3 H VAL 3 9.749 1.523 -9.535 20 HA VAL 3 HA VAL 3 10.002 2.949 -7.119 21 HB VAL 3 HB VAL 3 7.879 2.715 -8.352 22 1HG1 VAL 3 2HG1 VAL 3 8.481 0.070 -8.533 23 2HG1 VAL 3 1HG1 VAL 3 7.315 0.038 -7.211 24 3HG1 VAL 3 3HG1 VAL 3 6.859 0.717 -8.773 25 1HG2 VAL 3 1HG2 VAL 3 8.121 3.011 -5.721 26 2HG2 VAL 3 3HG2 VAL 3 6.534 2.824 -6.466 27 3HG2 VAL 3 2HG2 VAL 3 7.315 1.442 -5.700 28 H THR 4 H THR 4 10.446 -0.439 -7.780 29 HA THR 4 HA THR 4 10.968 -2.257 -6.427 30 HB THR 4 HB THR 4 12.202 -1.299 -4.183 31 HG1 THR 4 HG1 THR 4 13.357 0.552 -4.955 32 1HG2 THR 4 3HG2 THR 4 13.251 -1.626 -6.999 33 2HG2 THR 4 2HG2 THR 4 14.299 -1.403 -5.597 34 3HG2 THR 4 1HG2 THR 4 13.257 -2.823 -5.704 35 H CYS 5 H CYS 5 10.606 -0.236 -3.542 36 HA CYS 5 HA CYS 5 9.131 -0.458 -1.737 37 1HB CYS 5 2HB CYS 5 7.568 -0.113 -3.996 38 2HB CYS 5 1HB CYS 5 6.884 -1.544 -3.240 39 H LYS 6 H LYS 6 10.805 -2.722 -2.478 40 HA LYS 6 HA LYS 6 11.095 -4.944 -1.800 41 1HB LYS 6 2HB LYS 6 9.355 -3.884 0.086 42 2HB LYS 6 1HB LYS 6 8.477 -5.295 -0.502 43 1HG LYS 6 2HG LYS 6 10.721 -6.559 -0.206 44 2HG LYS 6 1HG LYS 6 11.202 -5.184 0.786 45 1HD LYS 6 2HD LYS 6 8.566 -5.963 1.597 46 2HD LYS 6 1HD LYS 6 9.560 -7.417 1.524 47 1HE LYS 6 2HE LYS 6 10.912 -5.106 2.758 48 2HE LYS 6 1HE LYS 6 9.501 -5.677 3.649 49 1HZ LYS 6 3HZ LYS 6 11.456 -7.626 2.641 50 2HZ LYS 6 2HZ LYS 6 11.812 -6.749 4.053 51 3HZ LYS 6 1HZ LYS 6 10.427 -7.731 3.985 52 H SER 7 H SER 7 9.151 -7.021 -1.619 53 HA SER 7 HA SER 7 8.064 -6.997 -4.409 54 1HB SER 7 2HB SER 7 8.357 -9.537 -4.223 55 2HB SER 7 1HB SER 7 9.834 -8.587 -4.363 56 HG SER 7 HG SER 7 9.860 -10.181 -2.663 57 H GLY 8 H GLY 8 6.142 -8.421 -4.709 58 1HA GLY 8 2HA GLY 8 3.981 -9.108 -4.122 59 2HA GLY 8 1HA GLY 8 4.626 -9.464 -2.521 60 H ASP 9 H ASP 9 4.919 -6.231 -3.812 61 HA ASP 9 HA ASP 9 2.942 -5.293 -1.790 62 1HB ASP 9 2HB ASP 9 5.055 -3.642 -3.174 63 2HB ASP 9 1HB ASP 9 4.191 -3.271 -1.695 64 H PHE 10 H PHE 10 2.470 -2.774 -2.719 65 HA PHE 10 HA PHE 10 2.065 -2.517 -5.494 66 1HB PHE 10 2HB PHE 10 0.067 -3.503 -5.968 67 2HB PHE 10 1HB PHE 10 0.279 -4.373 -4.460 68 HD1 PHE 10 HD1 PHE 10 -1.278 -1.332 -5.971 69 HD2 PHE 10 HD2 PHE 10 -1.226 -4.016 -2.615 70 HE1 PHE 10 HE1 PHE 10 -3.363 -0.283 -5.110 71 HE2 PHE 10 HE2 PHE 10 -3.309 -2.967 -1.761 72 HZ PHE 10 HZ PHE 10 -4.381 -1.126 -2.993 73 H SER 11 H SER 11 1.640 -0.369 -5.921 74 HA SER 11 HA SER 11 1.223 1.404 -3.611 75 1HB SER 11 2HB SER 11 1.119 3.127 -5.632 76 2HB SER 11 1HB SER 11 2.660 2.457 -5.107 77 HG SER 11 HG SER 11 2.731 1.220 -6.853 78 H CYS 12 H CYS 12 -0.754 2.412 -3.143 79 HA CYS 12 HA CYS 12 -3.182 1.242 -3.820 80 1HB CYS 12 2HB CYS 12 -2.789 4.164 -3.228 81 2HB CYS 12 1HB CYS 12 -4.268 3.265 -3.013 82 H GLY 13 H GLY 13 -1.516 3.857 -5.535 83 1HA GLY 13 2HA GLY 13 -3.323 3.366 -7.855 84 2HA GLY 13 1HA GLY 13 -3.019 5.023 -7.329 85 H GLY 14 H GLY 14 -1.571 5.976 -8.660 86 1HA GLY 14 2HA GLY 14 0.224 4.554 -10.380 87 2HA GLY 14 1HA GLY 14 0.308 6.282 -10.032 88 H ARG 15 H ARG 15 1.926 6.996 -8.707 89 HA ARG 15 HA ARG 15 3.372 4.992 -7.035 90 1HB ARG 15 2HB ARG 15 5.526 6.065 -7.755 91 2HB ARG 15 1HB ARG 15 4.691 5.229 -9.066 92 1HG ARG 15 2HG ARG 15 3.631 7.467 -9.655 93 2HG ARG 15 1HG ARG 15 4.768 8.205 -8.528 94 1HD ARG 15 2HD ARG 15 6.618 7.690 -9.847 95 2HD ARG 15 1HD ARG 15 5.803 6.341 -10.640 96 HE ARG 15 HE ARG 15 4.363 8.231 -11.722 97 1HH1 ARG 15 2HH1 ARG 15 6.256 10.253 -10.318 98 2HH1 ARG 15 1HH1 ARG 15 7.262 10.703 -11.654 99 1HH2 ARG 15 1HH2 ARG 15 6.261 8.049 -13.648 100 2HH2 ARG 15 2HH2 ARG 15 7.267 9.455 -13.538 101 H VAL 16 H VAL 16 1.576 6.584 -5.836 102 HA VAL 16 HA VAL 16 2.361 9.194 -5.114 103 HB VAL 16 HB VAL 16 0.816 7.200 -3.436 104 1HG1 VAL 16 2HG1 VAL 16 1.631 9.229 -2.221 105 2HG1 VAL 16 1HG1 VAL 16 0.807 10.234 -3.413 106 3HG1 VAL 16 3HG1 VAL 16 -0.127 9.177 -2.355 107 1HG2 VAL 16 3HG2 VAL 16 0.141 8.887 -5.800 108 2HG2 VAL 16 2HG2 VAL 16 -0.511 7.322 -5.316 109 3HG2 VAL 16 1HG2 VAL 16 -1.059 8.793 -4.512 110 H ASN 17 H ASN 17 2.515 6.487 -2.791 111 HA ASN 17 HA ASN 17 5.311 6.621 -2.277 112 1HB ASN 17 2HB ASN 17 4.204 8.942 -1.425 113 2HB ASN 17 1HB ASN 17 3.962 7.954 0.015 114 1HD2 ASN 17 2HD2 ASN 17 7.422 9.567 -0.036 115 2HD2 ASN 17 1HD2 ASN 17 5.884 10.217 -0.334 116 H ARG 18 H ARG 18 2.098 6.178 -0.844 117 HA ARG 18 HA ARG 18 2.933 4.355 1.217 118 1HB ARG 18 2HB ARG 18 0.521 5.581 0.378 119 2HB ARG 18 1HB ARG 18 0.220 3.847 0.326 120 1HG ARG 18 2HG ARG 18 1.690 4.522 2.734 121 2HG ARG 18 1HG ARG 18 0.241 5.517 2.610 122 1HD ARG 18 2HD ARG 18 -1.171 3.729 2.841 123 2HD ARG 18 1HD ARG 18 -0.099 2.639 1.963 124 HE ARG 18 HE ARG 18 0.705 1.955 4.059 125 1HH1 ARG 18 1HH2 ARG 18 2.353 3.599 5.291 126 2HH1 ARG 18 2HH2 ARG 18 1.486 4.509 6.482 127 1HH2 ARG 18 2HH1 ARG 18 -1.630 3.821 5.123 128 2HH2 ARG 18 1HH1 ARG 18 -0.770 4.632 6.388 129 H CYS 19 H CYS 19 2.471 2.040 1.286 130 HA CYS 19 HA CYS 19 2.301 0.703 -1.359 131 1HB CYS 19 2HB CYS 19 4.658 0.905 0.205 132 2HB CYS 19 1HB CYS 19 4.107 -0.759 0.307 133 H ILE 20 H ILE 20 1.606 -1.580 -1.148 134 HA ILE 20 HA ILE 20 0.613 -2.443 1.492 135 HB ILE 20 HB ILE 20 -1.609 -2.938 -0.217 136 1HG1 ILE 20 2HG1 ILE 20 -0.639 -0.066 -0.406 137 2HG1 ILE 20 1HG1 ILE 20 -1.017 -1.161 -1.728 138 1HG2 ILE 20 2HG2 ILE 20 -1.172 -2.203 2.362 139 2HG2 ILE 20 1HG2 ILE 20 -1.829 -0.707 1.703 140 3HG2 ILE 20 3HG2 ILE 20 -2.759 -2.199 1.590 141 1HD1 ILE 20 3HD1 ILE 20 -3.405 -1.210 -0.598 142 2HD1 ILE 20 2HD1 ILE 20 -2.877 0.329 0.083 143 3HD1 ILE 20 1HD1 ILE 20 -2.946 0.115 -1.664 144 HA PRO 21 HA PRO 21 1.466 -6.411 -0.218 145 1HB PRO 21 2HB PRO 21 -0.468 -7.984 0.950 146 2HB PRO 21 1HB PRO 21 0.947 -7.382 1.811 147 1HG PRO 21 2HG PRO 21 -1.851 -6.441 1.961 148 2HG PRO 21 1HG PRO 21 -0.602 -6.395 3.201 149 1HD PRO 21 2HD PRO 21 -1.447 -4.225 1.654 150 2HD PRO 21 1HD PRO 21 0.071 -4.321 2.553 151 H GLN 22 H GLN 22 0.570 -8.172 -1.613 152 HA GLN 22 HA GLN 22 -1.128 -7.190 -3.685 153 1HB GLN 22 2HB GLN 22 0.463 -9.470 -3.232 154 2HB GLN 22 1HB GLN 22 -1.151 -10.057 -3.604 155 1HG GLN 22 2HG GLN 22 0.241 -7.961 -5.277 156 2HG GLN 22 1HG GLN 22 0.375 -9.688 -5.613 157 1HE2 GLN 22 2HE2 GLN 22 -2.712 -9.776 -7.284 158 2HE2 GLN 22 1HE2 GLN 22 -1.191 -10.482 -7.016 159 H PHE 23 H PHE 23 -1.781 -8.890 -0.702 160 HA PHE 23 HA PHE 23 -4.421 -9.802 -1.318 161 1HB PHE 23 2HB PHE 23 -2.862 -10.403 0.663 162 2HB PHE 23 1HB PHE 23 -3.563 -8.977 1.406 163 HD1 PHE 23 HD2 PHE 23 -4.331 -12.307 -0.011 164 HD2 PHE 23 HD1 PHE 23 -5.834 -8.946 2.203 165 HE1 PHE 23 HE2 PHE 23 -6.353 -13.610 0.595 166 HE2 PHE 23 HE1 PHE 23 -7.855 -10.250 2.811 167 HZ PHE 23 HZ PHE 23 -8.113 -12.581 2.005 168 H TRP 24 H TRP 24 -3.154 -6.749 -0.018 169 HA TRP 24 HA TRP 24 -5.804 -5.658 0.476 170 1HB TRP 24 2HB TRP 24 -3.030 -4.616 0.559 171 2HB TRP 24 1HB TRP 24 -4.354 -3.465 0.537 172 HD1 TRP 24 HD1 TRP 24 -3.669 -6.799 2.398 173 HE1 TRP 24 HE1 TRP 24 -4.335 -6.497 4.869 174 HE3 TRP 24 HE3 TRP 24 -5.200 -1.896 2.340 175 HZ2 TRP 24 HZ2 TRP 24 -5.376 -4.478 6.590 176 HZ3 TRP 24 HZ3 TRP 24 -6.030 -0.836 4.418 177 HH2 TRP 24 HH2 TRP 24 -6.112 -2.111 6.537 178 H ARG 25 H ARG 25 -4.014 -6.155 -2.383 179 HA ARG 25 HA ARG 25 -4.874 -3.783 -3.832 180 1HB ARG 25 2HB ARG 25 -2.970 -5.166 -4.617 181 2HB ARG 25 1HB ARG 25 -4.043 -6.547 -4.827 182 1HG ARG 25 2HG ARG 25 -4.054 -5.755 -6.990 183 2HG ARG 25 1HG ARG 25 -5.376 -4.787 -6.351 184 1HD ARG 25 2HD ARG 25 -4.083 -2.857 -6.219 185 2HD ARG 25 1HD ARG 25 -2.572 -3.760 -6.121 186 HE ARG 25 HE ARG 25 -3.139 -4.380 -8.601 187 1HH1 ARG 25 1HH1 ARG 25 -4.860 -1.119 -9.370 188 2HH1 ARG 25 2HH1 ARG 25 -5.532 -2.560 -8.681 189 1HH2 ARG 25 1HH2 ARG 25 -1.574 -2.045 -8.761 190 2HH2 ARG 25 2HH2 ARG 25 -2.618 -0.826 -9.413 191 H CYS 26 H CYS 26 -6.726 -3.624 -5.172 192 HA CYS 26 HA CYS 26 -8.818 -4.191 -6.113 193 1HB CYS 26 2HB CYS 26 -8.794 -6.793 -4.556 194 2HB CYS 26 1HB CYS 26 -9.807 -6.366 -5.928 195 H ASP 27 H ASP 27 -8.533 -5.444 -2.761 196 HA ASP 27 HA ASP 27 -10.976 -3.978 -2.033 197 1HB ASP 27 2HB ASP 27 -9.222 -5.967 -0.644 198 2HB ASP 27 1HB ASP 27 -10.455 -5.074 0.228 199 H GLY 28 H GLY 28 -7.967 -4.438 -0.230 200 1HA GLY 28 2HA GLY 28 -6.377 -2.857 0.510 201 2HA GLY 28 1HA GLY 28 -7.226 -1.622 -0.430 202 H GLN 29 H GLN 29 -9.725 -2.831 1.255 203 HA GLN 29 HA GLN 29 -10.920 -1.893 3.062 204 1HB GLN 29 2HB GLN 29 -8.167 -1.574 4.326 205 2HB GLN 29 1HB GLN 29 -9.705 -1.718 5.160 206 1HG GLN 29 2HG GLN 29 -9.668 -3.977 3.616 207 2HG GLN 29 1HG GLN 29 -7.977 -3.771 4.051 208 1HE2 GLN 29 2HE2 GLN 29 -10.544 -5.127 6.832 209 2HE2 GLN 29 1HE2 GLN 29 -10.968 -4.962 5.196 210 H VAL 30 H VAL 30 -8.521 0.273 4.274 211 HA VAL 30 HA VAL 30 -8.805 2.148 2.119 212 HB VAL 30 HB VAL 30 -10.200 2.543 4.746 213 1HG1 VAL 30 3HG1 VAL 30 -8.977 4.622 2.953 214 2HG1 VAL 30 2HG1 VAL 30 -10.579 4.947 3.616 215 3HG1 VAL 30 1HG1 VAL 30 -9.216 4.665 4.700 216 1HG2 VAL 30 3HG2 VAL 30 -10.802 2.614 1.803 217 2HG2 VAL 30 2HG2 VAL 30 -11.574 1.654 3.064 218 3HG2 VAL 30 1HG2 VAL 30 -11.890 3.386 2.954 219 H ASP 31 H ASP 31 -6.566 1.222 2.484 220 HA ASP 31 HA ASP 31 -5.002 2.466 4.619 221 1HB ASP 31 2HB ASP 31 -4.443 0.210 3.937 222 2HB ASP 31 1HB ASP 31 -4.229 0.742 2.286 223 H CYS 32 H CYS 32 -6.297 3.680 1.825 224 HA CYS 32 HA CYS 32 -4.092 5.652 1.594 225 1HB CYS 32 2HB CYS 32 -5.149 3.901 -0.554 226 2HB CYS 32 1HB CYS 32 -4.828 5.583 -0.982 227 H ASP 33 H ASP 33 -6.841 5.574 2.839 228 HA ASP 33 HA ASP 33 -8.705 6.981 3.041 229 1HB ASP 33 2HB ASP 33 -6.604 8.805 1.863 230 2HB ASP 33 1HB ASP 33 -8.191 9.395 2.356 231 H ASN 34 H ASN 34 -9.448 5.420 1.133 232 HA ASN 34 HA ASN 34 -10.626 5.198 -0.886 233 1HB ASN 34 2HB ASN 34 -11.376 7.688 0.332 234 2HB ASN 34 1HB ASN 34 -11.459 7.829 -1.417 235 1HD2 ASN 34 2HD2 ASN 34 -14.074 5.376 -1.727 236 2HD2 ASN 34 1HD2 ASN 34 -12.745 6.040 -2.550 237 H GLY 35 H GLY 35 -7.724 6.065 -0.906 238 1HA GLY 35 2HA GLY 35 -7.322 7.896 -3.078 239 2HA GLY 35 1HA GLY 35 -6.120 6.760 -2.461 240 H SER 36 H SER 36 -5.946 4.702 -3.418 241 HA SER 36 HA SER 36 -7.782 4.108 -5.659 242 1HB SER 36 2HB SER 36 -5.547 3.547 -6.974 243 2HB SER 36 1HB SER 36 -6.245 5.162 -6.986 244 HG SER 36 HG SER 36 -4.794 5.801 -5.455 245 H ASP 37 H ASP 37 -6.213 2.875 -2.941 246 HA ASP 37 HA ASP 37 -5.330 0.332 -3.884 247 1HB ASP 37 2HB ASP 37 -5.848 -0.426 -1.498 248 2HB ASP 37 1HB ASP 37 -4.727 0.908 -1.657 249 H GLU 38 H GLU 38 -8.509 1.671 -3.405 250 HA GLU 38 HA GLU 38 -9.726 -1.005 -3.969 251 1HB GLU 38 2HB GLU 38 -11.820 -0.020 -2.997 252 2HB GLU 38 1HB GLU 38 -10.506 -0.112 -1.828 253 1HG GLU 38 2HG GLU 38 -10.097 2.196 -1.906 254 2HG GLU 38 1HG GLU 38 -10.903 2.381 -3.464 255 H GLN 39 H GLN 39 -8.601 0.592 -6.017 256 HA GLN 39 HA GLN 39 -10.678 2.183 -7.290 257 1HB GLN 39 2HB GLN 39 -8.034 2.299 -7.411 258 2HB GLN 39 1HB GLN 39 -8.309 1.200 -8.747 259 1HG GLN 39 2HG GLN 39 -9.132 2.834 -10.079 260 2HG GLN 39 1HG GLN 39 -10.145 3.476 -8.786 261 1HE2 GLN 39 2HE2 GLN 39 -7.983 6.191 -8.257 262 2HE2 GLN 39 1HE2 GLN 39 -9.553 5.553 -8.171 263 H GLY 40 H GLY 40 -8.888 -0.682 -8.450 264 1HA GLY 40 2HA GLY 40 -11.336 -2.081 -9.170 265 2HA GLY 40 1HA GLY 40 -10.501 -1.415 -10.574 266 H CYS 41 HN CYS 41 -10.853 -4.220 -9.058 267 HA CYS 41 HA CYS 41 -8.152 -5.123 -8.610 268 1HB CYS 41 2HB CYS 41 -10.385 -6.161 -7.802 269 2HB CYS 41 1HB CYS 41 -10.453 -6.906 -9.396 No H/Q in entry = 269 Start of MODEL 5 Raw file had 276 H/Q atoms Start of MODEL 5 1 1H LEU 1 2H LEU 1 7.055 -2.726 -9.733 2 2H LEU 1 1H LEU 1 5.886 -2.198 -8.617 3 3H LEU 1 3H LEU 1 5.720 -3.711 -9.364 4 HA LEU 1 HA LEU 1 5.093 -2.829 -11.379 5 1HB LEU 1 2HB LEU 1 4.006 -1.447 -8.991 6 2HB LEU 1 1HB LEU 1 3.684 -0.649 -10.528 7 HG LEU 1 HG LEU 1 1.878 -2.232 -9.946 8 1HD1 LEU 1 1HD1 LEU 1 3.039 -1.917 -12.375 9 2HD1 LEU 1 3HD1 LEU 1 3.206 -3.663 -12.179 10 3HD1 LEU 1 2HD1 LEU 1 1.610 -2.915 -12.108 11 1HD2 LEU 1 1HD2 LEU 1 3.342 -3.810 -8.653 12 2HD2 LEU 1 3HD2 LEU 1 2.300 -4.625 -9.821 13 3HD2 LEU 1 2HD2 LEU 1 4.009 -4.380 -10.183 14 H SER 2 H SER 2 5.721 0.192 -9.575 15 HA SER 2 HA SER 2 7.303 1.130 -11.938 16 1HB SER 2 2HB SER 2 6.602 3.451 -10.812 17 2HB SER 2 1HB SER 2 5.544 2.626 -11.953 18 HG SER 2 HG SER 2 4.708 3.328 -9.768 19 H VAL 3 H VAL 3 9.171 0.147 -10.847 20 HA VAL 3 HA VAL 3 10.969 0.079 -9.350 21 HB VAL 3 HB VAL 3 11.411 1.922 -10.937 22 1HG1 VAL 3 3HG1 VAL 3 10.190 3.594 -8.729 23 2HG1 VAL 3 2HG1 VAL 3 11.224 4.273 -9.985 24 3HG1 VAL 3 1HG1 VAL 3 9.694 3.511 -10.419 25 1HG2 VAL 3 3HG2 VAL 3 12.837 1.194 -8.783 26 2HG2 VAL 3 2HG2 VAL 3 13.366 2.488 -9.859 27 3HG2 VAL 3 1HG2 VAL 3 12.542 2.878 -8.348 28 H THR 4 H THR 4 8.450 0.098 -7.910 29 HA THR 4 HA THR 4 9.449 1.217 -5.347 30 HB THR 4 HB THR 4 6.946 1.904 -4.948 31 HG1 THR 4 HG1 THR 4 5.755 1.942 -6.664 32 1HG2 THR 4 1HG2 THR 4 8.916 3.425 -6.670 33 2HG2 THR 4 3HG2 THR 4 7.459 4.153 -5.992 34 3HG2 THR 4 2HG2 THR 4 8.715 3.532 -4.921 35 H CYS 5 H CYS 5 9.107 -0.154 -3.686 36 HA CYS 5 HA CYS 5 8.764 -2.281 -2.731 37 1HB CYS 5 2HB CYS 5 6.397 -2.606 -2.148 38 2HB CYS 5 1HB CYS 5 6.907 -0.972 -1.861 39 H LYS 6 H LYS 6 9.691 -3.343 -4.769 40 HA LYS 6 HA LYS 6 7.634 -4.797 -6.340 41 1HB LYS 6 2HB LYS 6 9.587 -5.562 -7.697 42 2HB LYS 6 1HB LYS 6 9.455 -3.804 -7.623 43 1HG LYS 6 2HG LYS 6 11.369 -3.577 -6.399 44 2HG LYS 6 1HG LYS 6 11.072 -5.048 -5.471 45 1HD LYS 6 2HD LYS 6 11.726 -6.409 -7.434 46 2HD LYS 6 1HD LYS 6 12.055 -4.932 -8.339 47 1HE LYS 6 2HE LYS 6 13.833 -4.313 -6.837 48 2HE LYS 6 1HE LYS 6 13.406 -5.604 -5.713 49 1HZ LYS 6 1HZ LYS 6 13.938 -7.214 -7.462 50 2HZ LYS 6 3HZ LYS 6 14.428 -5.948 -8.479 51 3HZ LYS 6 2HZ LYS 6 15.281 -6.261 -7.044 52 H SER 7 H SER 7 7.483 -5.654 -3.801 53 HA SER 7 HA SER 7 8.587 -8.397 -3.973 54 1HB SER 7 2HB SER 7 9.104 -6.463 -1.713 55 2HB SER 7 1HB SER 7 9.194 -8.207 -1.482 56 HG SER 7 HG SER 7 10.927 -8.296 -2.743 57 H GLY 8 H GLY 8 6.237 -8.675 -4.451 58 1HA GLY 8 2HA GLY 8 4.113 -9.407 -3.784 59 2HA GLY 8 1HA GLY 8 4.791 -9.615 -2.171 60 H ASP 9 H ASP 9 5.068 -6.440 -3.521 61 HA ASP 9 HA ASP 9 2.979 -5.477 -1.635 62 1HB ASP 9 2HB ASP 9 5.046 -3.794 -3.050 63 2HB ASP 9 1HB ASP 9 4.179 -3.425 -1.573 64 H PHE 10 H PHE 10 2.454 -3.012 -2.729 65 HA PHE 10 HA PHE 10 2.091 -3.022 -5.538 66 1HB PHE 10 2HB PHE 10 0.084 -4.015 -5.922 67 2HB PHE 10 1HB PHE 10 0.319 -4.765 -4.355 68 HD1 PHE 10 HD2 PHE 10 -1.199 -1.757 -6.002 69 HD2 PHE 10 HD1 PHE 10 -1.245 -4.385 -2.600 70 HE1 PHE 10 HE2 PHE 10 -3.295 -0.677 -5.205 71 HE2 PHE 10 HE1 PHE 10 -3.339 -3.306 -1.813 72 HZ PHE 10 HZ PHE 10 -4.368 -1.489 -3.103 73 H SER 11 H SER 11 1.928 -0.926 -6.124 74 HA SER 11 HA SER 11 1.536 1.164 -4.167 75 1HB SER 11 2HB SER 11 1.399 2.635 -6.249 76 2HB SER 11 1HB SER 11 2.875 1.686 -6.094 77 HG SER 11 HG SER 11 2.256 1.196 -8.090 78 H CYS 12 H CYS 12 -0.391 2.053 -3.511 79 HA CYS 12 HA CYS 12 -2.884 0.882 -3.963 80 1HB CYS 12 2HB CYS 12 -2.398 3.790 -3.394 81 2HB CYS 12 1HB CYS 12 -3.868 2.904 -3.059 82 H GLY 13 H GLY 13 -1.511 3.721 -5.646 83 1HA GLY 13 2HA GLY 13 -2.294 3.247 -8.219 84 2HA GLY 13 1HA GLY 13 -3.783 3.847 -7.494 85 H GLY 14 H GLY 14 -0.361 4.771 -7.122 86 1HA GLY 14 2HA GLY 14 -0.775 7.356 -8.397 87 2HA GLY 14 1HA GLY 14 -0.658 7.478 -6.640 88 H ARG 15 H ARG 15 1.328 8.766 -7.267 89 HA ARG 15 HA ARG 15 3.636 7.030 -8.003 90 1HB ARG 15 2HB ARG 15 3.074 9.965 -8.169 91 2HB ARG 15 1HB ARG 15 4.749 9.447 -7.978 92 1HG ARG 15 2HG ARG 15 2.963 8.201 -10.065 93 2HG ARG 15 1HG ARG 15 3.840 9.696 -10.390 94 1HD ARG 15 2HD ARG 15 5.937 8.664 -10.182 95 2HD ARG 15 1HD ARG 15 5.285 7.307 -9.263 96 HE ARG 15 HE ARG 15 4.051 7.146 -11.764 97 1HH1 ARG 15 1HH2 ARG 15 6.419 5.568 -10.250 98 2HH1 ARG 15 2HH2 ARG 15 7.457 5.321 -11.615 99 1HH2 ARG 15 2HH1 ARG 15 5.749 7.544 -13.655 100 2HH2 ARG 15 1HH1 ARG 15 7.079 6.439 -13.541 101 H VAL 16 H VAL 16 4.913 6.327 -6.402 102 HA VAL 16 HA VAL 16 5.694 5.969 -4.229 103 HB VAL 16 HB VAL 16 7.201 7.622 -5.281 104 1HG1 VAL 16 1HG1 VAL 16 5.430 9.594 -3.817 105 2HG1 VAL 16 3HG1 VAL 16 7.042 9.997 -4.410 106 3HG1 VAL 16 2HG1 VAL 16 5.774 9.536 -5.546 107 1HG2 VAL 16 2HG2 VAL 16 6.956 6.927 -2.531 108 2HG2 VAL 16 1HG2 VAL 16 8.419 7.395 -3.397 109 3HG2 VAL 16 3HG2 VAL 16 7.447 8.620 -2.583 110 H ASN 17 H ASN 17 2.839 6.562 -4.183 111 HA ASN 17 HA ASN 17 2.360 8.403 -1.963 112 1HB ASN 17 2HB ASN 17 0.676 6.479 -3.548 113 2HB ASN 17 1HB ASN 17 0.059 7.127 -2.028 114 1HD2 ASN 17 2HD2 ASN 17 0.645 9.696 -5.188 115 2HD2 ASN 17 1HD2 ASN 17 1.492 8.225 -5.140 116 H ARG 18 H ARG 18 1.682 4.906 -2.254 117 HA ARG 18 HA ARG 18 3.170 4.178 0.099 118 1HB ARG 18 2HB ARG 18 1.273 5.418 1.170 119 2HB ARG 18 1HB ARG 18 0.157 4.269 0.434 120 1HG ARG 18 2HG ARG 18 2.000 2.596 1.623 121 2HG ARG 18 1HG ARG 18 1.923 3.934 2.767 122 1HD ARG 18 2HD ARG 18 -0.720 3.105 1.790 123 2HD ARG 18 1HD ARG 18 0.135 1.827 2.652 124 HE ARG 18 HE ARG 18 -1.067 4.101 3.885 125 1HH1 ARG 18 2HH1 ARG 18 0.487 1.410 4.782 126 2HH1 ARG 18 1HH1 ARG 18 1.469 2.106 6.028 127 1HH2 ARG 18 1HH2 ARG 18 0.781 5.378 5.109 128 2HH2 ARG 18 2HH2 ARG 18 1.634 4.353 6.213 129 H CYS 19 H CYS 19 3.348 1.922 0.188 130 HA CYS 19 HA CYS 19 1.988 0.466 -1.995 131 1HB CYS 19 2HB CYS 19 4.439 -0.037 -0.379 132 2HB CYS 19 1HB CYS 19 3.730 -1.298 -1.371 133 H ILE 20 H ILE 20 1.449 -1.885 -1.460 134 HA ILE 20 HA ILE 20 0.675 -2.408 1.332 135 HB ILE 20 HB ILE 20 -1.672 -3.072 -0.159 136 1HG1 ILE 20 2HG1 ILE 20 -0.787 -0.195 -0.606 137 2HG1 ILE 20 1HG1 ILE 20 -1.114 -1.398 -1.852 138 1HG2 ILE 20 1HG2 ILE 20 -1.078 -2.144 2.306 139 2HG2 ILE 20 3HG2 ILE 20 -1.707 -0.667 1.573 140 3HG2 ILE 20 2HG2 ILE 20 -2.706 -2.120 1.628 141 1HD1 ILE 20 3HD1 ILE 20 -3.480 -1.537 -0.775 142 2HD1 ILE 20 2HD1 ILE 20 -3.060 0.004 -0.028 143 3HD1 ILE 20 1HD1 ILE 20 -3.105 -0.141 -1.784 144 HA PRO 21 HA PRO 21 1.336 -6.570 0.038 145 1HB PRO 21 2HB PRO 21 -0.637 -7.983 1.338 146 2HB PRO 21 1HB PRO 21 0.788 -7.331 2.145 147 1HG PRO 21 2HG PRO 21 -1.990 -6.333 2.200 148 2HG PRO 21 1HG PRO 21 -0.736 -6.174 3.423 149 1HD PRO 21 2HD PRO 21 -1.563 -4.179 1.644 150 2HD PRO 21 1HD PRO 21 -0.062 -4.175 2.575 151 H GLN 22 H GLN 22 0.426 -8.434 -1.186 152 HA GLN 22 HA GLN 22 -1.220 -7.645 -3.369 153 1HB GLN 22 2HB GLN 22 -0.044 -10.149 -2.377 154 2HB GLN 22 1HB GLN 22 -1.433 -10.336 -3.438 155 1HG GLN 22 2HG GLN 22 0.652 -8.380 -4.273 156 2HG GLN 22 1HG GLN 22 1.079 -10.087 -4.378 157 1HE2 GLN 22 2HE2 GLN 22 -1.690 -8.535 -6.942 158 2HE2 GLN 22 1HE2 GLN 22 -1.088 -7.600 -5.660 159 H PHE 23 H PHE 23 -1.973 -9.020 -0.239 160 HA PHE 23 HA PHE 23 -4.625 -9.929 -0.817 161 1HB PHE 23 2HB PHE 23 -3.189 -10.414 1.249 162 2HB PHE 23 1HB PHE 23 -3.749 -8.852 1.821 163 HD1 PHE 23 HD2 PHE 23 -6.245 -8.416 2.015 164 HD2 PHE 23 HD1 PHE 23 -4.597 -12.328 1.358 165 HE1 PHE 23 HE2 PHE 23 -8.381 -9.439 2.747 166 HE2 PHE 23 HE1 PHE 23 -6.735 -13.352 2.089 167 HZ PHE 23 HZ PHE 23 -8.627 -11.907 2.784 168 H TRP 24 H TRP 24 -3.381 -6.822 0.423 169 HA TRP 24 HA TRP 24 -6.000 -5.630 0.630 170 1HB TRP 24 2HB TRP 24 -3.214 -4.593 0.682 171 2HB TRP 24 1HB TRP 24 -4.557 -3.469 0.650 172 HD1 TRP 24 HD1 TRP 24 -3.840 -6.760 2.552 173 HE1 TRP 24 HE1 TRP 24 -4.457 -6.433 5.029 174 HE3 TRP 24 HE3 TRP 24 -5.336 -1.826 2.497 175 HZ2 TRP 24 HZ2 TRP 24 -5.450 -4.405 6.753 176 HZ3 TRP 24 HZ3 TRP 24 -6.128 -0.767 4.589 177 HH2 TRP 24 HH2 TRP 24 -6.173 -2.036 6.710 178 H ARG 25 H ARG 25 -4.125 -6.418 -2.100 179 HA ARG 25 HA ARG 25 -4.835 -4.170 -3.790 180 1HB ARG 25 2HB ARG 25 -2.991 -5.685 -4.416 181 2HB ARG 25 1HB ARG 25 -4.096 -7.055 -4.462 182 1HG ARG 25 2HG ARG 25 -3.834 -6.410 -6.736 183 2HG ARG 25 1HG ARG 25 -5.391 -5.736 -6.261 184 1HD ARG 25 2HD ARG 25 -4.632 -3.575 -6.340 185 2HD ARG 25 1HD ARG 25 -3.018 -4.021 -5.796 186 HE ARG 25 HE ARG 25 -2.515 -4.730 -8.104 187 1HH1 ARG 25 1HH2 ARG 25 -4.532 -5.303 -9.770 188 2HH1 ARG 25 2HH2 ARG 25 -5.131 -3.822 -10.441 189 1HH2 ARG 25 2HH1 ARG 25 -3.687 -1.824 -8.003 190 2HH2 ARG 25 1HH1 ARG 25 -4.652 -1.853 -9.441 191 H CYS 26 H CYS 26 -6.668 -3.991 -5.123 192 HA CYS 26 HA CYS 26 -8.766 -4.510 -6.074 193 1HB CYS 26 2HB CYS 26 -7.954 -7.038 -5.749 194 2HB CYS 26 1HB CYS 26 -9.143 -6.995 -4.448 195 H ASP 27 H ASP 27 -8.572 -5.632 -2.662 196 HA ASP 27 HA ASP 27 -10.980 -4.050 -2.048 197 1HB ASP 27 2HB ASP 27 -9.390 -6.093 -0.534 198 2HB ASP 27 1HB ASP 27 -10.668 -5.159 0.221 199 H GLY 28 H GLY 28 -8.093 -4.671 -0.103 200 1HA GLY 28 2HA GLY 28 -6.490 -3.221 0.793 201 2HA GLY 28 1HA GLY 28 -7.051 -1.992 -0.345 202 H GLN 29 H GLN 29 -9.818 -2.890 1.240 203 HA GLN 29 HA GLN 29 -11.090 -1.669 2.810 204 1HB GLN 29 2HB GLN 29 -8.421 -1.299 4.234 205 2HB GLN 29 1HB GLN 29 -10.021 -1.288 4.958 206 1HG GLN 29 2HG GLN 29 -9.936 -3.720 3.669 207 2HG GLN 29 1HG GLN 29 -8.301 -3.514 4.282 208 1HE2 GLN 29 2HE2 GLN 29 -11.365 -4.140 6.899 209 2HE2 GLN 29 1HE2 GLN 29 -11.674 -3.912 5.245 210 H VAL 30 H VAL 30 -8.715 0.544 3.943 211 HA VAL 30 HA VAL 30 -8.688 2.143 1.564 212 HB VAL 30 HB VAL 30 -10.408 2.854 3.911 213 1HG1 VAL 30 3HG1 VAL 30 -8.724 4.722 2.325 214 2HG1 VAL 30 2HG1 VAL 30 -10.429 5.161 2.423 215 3HG1 VAL 30 1HG1 VAL 30 -9.483 4.963 3.898 216 1HG2 VAL 30 3HG2 VAL 30 -10.566 2.657 0.920 217 2HG2 VAL 30 2HG2 VAL 30 -11.612 1.929 2.139 218 3HG2 VAL 30 1HG2 VAL 30 -11.736 3.653 1.787 219 H ASP 31 H ASP 31 -6.508 1.396 2.121 220 HA ASP 31 HA ASP 31 -5.189 2.851 4.327 221 1HB ASP 31 2HB ASP 31 -4.752 0.433 4.038 222 2HB ASP 31 1HB ASP 31 -4.125 0.766 2.443 223 H CYS 32 H CYS 32 -6.171 4.013 1.603 224 HA CYS 32 HA CYS 32 -3.754 5.622 1.144 225 1HB CYS 32 2HB CYS 32 -4.702 3.505 -0.697 226 2HB CYS 32 1HB CYS 32 -4.223 5.027 -1.447 227 H ASP 33 H ASP 33 -4.828 7.543 1.520 228 HA ASP 33 HA ASP 33 -6.344 9.311 1.192 229 1HB ASP 33 2HB ASP 33 -6.318 8.246 -1.651 230 2HB ASP 33 1HB ASP 33 -6.663 9.899 -1.146 231 H ASN 34 H ASN 34 -8.513 9.231 -0.942 232 HA ASN 34 HA ASN 34 -10.678 8.319 0.615 233 1HB ASN 34 2HB ASN 34 -11.945 8.282 -1.579 234 2HB ASN 34 1HB ASN 34 -11.104 9.793 -1.241 235 1HD2 ASN 34 2HD2 ASN 34 -9.471 9.582 -4.348 236 2HD2 ASN 34 1HD2 ASN 34 -10.313 10.536 -3.223 237 H GLY 35 H GLY 35 -8.481 6.519 -1.422 238 1HA GLY 35 2HA GLY 35 -8.542 4.049 -0.595 239 2HA GLY 35 1HA GLY 35 -10.205 4.099 -1.177 240 H SER 36 H SER 36 -6.839 4.634 -2.309 241 HA SER 36 HA SER 36 -7.736 4.070 -5.073 242 1HB SER 36 2HB SER 36 -5.181 4.418 -5.507 243 2HB SER 36 1HB SER 36 -6.204 5.810 -5.168 244 HG SER 36 HG SER 36 -5.041 6.136 -3.455 245 H ASP 37 H ASP 37 -6.469 2.348 -2.378 246 HA ASP 37 HA ASP 37 -4.877 0.358 -3.589 247 1HB ASP 37 2HB ASP 37 -5.814 -1.133 -1.731 248 2HB ASP 37 1HB ASP 37 -5.058 0.352 -1.214 249 H GLU 38 H GLU 38 -8.336 0.893 -3.629 250 HA GLU 38 HA GLU 38 -8.706 -1.536 -5.335 251 1HB GLU 38 2HB GLU 38 -11.130 -1.305 -4.724 252 2HB GLU 38 1HB GLU 38 -10.099 -1.619 -3.330 253 1HG GLU 38 2HG GLU 38 -10.534 0.406 -2.399 254 2HG GLU 38 1HG GLU 38 -10.410 1.245 -3.945 255 H GLN 39 H GLN 39 -7.574 0.616 -6.539 256 HA GLN 39 HA GLN 39 -9.720 2.191 -7.838 257 1HB GLN 39 2HB GLN 39 -7.438 3.057 -6.802 258 2HB GLN 39 1HB GLN 39 -6.842 2.601 -8.382 259 1HG GLN 39 2HG GLN 39 -8.028 4.252 -9.455 260 2HG GLN 39 1HG GLN 39 -9.337 4.212 -8.275 261 1HE2 GLN 39 2HE2 GLN 39 -6.094 6.623 -7.625 262 2HE2 GLN 39 1HE2 GLN 39 -6.049 5.456 -8.856 263 H GLY 40 H GLY 40 -10.292 0.035 -8.936 264 1HA GLY 40 2HA GLY 40 -10.456 -0.792 -11.190 265 2HA GLY 40 1HA GLY 40 -8.882 -0.074 -11.541 266 H CYS 41 HN CYS 41 -10.488 -2.789 -9.942 267 HA CYS 41 HA CYS 41 -8.137 -4.153 -9.058 268 1HB CYS 41 2HB CYS 41 -10.600 -4.628 -8.470 269 2HB CYS 41 1HB CYS 41 -10.662 -5.524 -9.986 No H/Q in entry = 269 Start of MODEL 6 Raw file had 276 H/Q atoms Start of MODEL 6 1 1H LEU 1 3H LEU 1 17.437 -4.383 0.150 2 2H LEU 1 2H LEU 1 17.646 -5.984 -0.370 3 3H LEU 1 1H LEU 1 18.490 -4.723 -1.127 4 HA LEU 1 HA LEU 1 16.767 -5.303 -2.573 5 1HB LEU 1 2HB LEU 1 14.349 -5.130 -1.744 6 2HB LEU 1 1HB LEU 1 15.252 -6.553 -1.265 7 HG LEU 1 HG LEU 1 13.837 -5.523 0.545 8 1HD1 LEU 1 1HD1 LEU 1 16.237 -6.768 0.745 9 2HD1 LEU 1 3HD1 LEU 1 16.568 -5.278 1.629 10 3HD1 LEU 1 2HD1 LEU 1 15.237 -6.318 2.125 11 1HD2 LEU 1 3HD2 LEU 1 14.497 -3.126 -0.188 12 2HD2 LEU 1 2HD2 LEU 1 14.344 -3.461 1.535 13 3HD2 LEU 1 1HD2 LEU 1 15.938 -3.379 0.795 14 H SER 2 H SER 2 15.329 -3.732 -3.644 15 HA SER 2 HA SER 2 15.788 -0.957 -2.615 16 1HB SER 2 2HB SER 2 15.732 -0.278 -5.036 17 2HB SER 2 1HB SER 2 17.093 -1.320 -4.631 18 HG SER 2 HG SER 2 16.152 -2.148 -6.460 19 H VAL 3 H VAL 3 13.601 -3.047 -4.486 20 HA VAL 3 HA VAL 3 11.471 -1.214 -4.769 21 HB VAL 3 HB VAL 3 11.623 -3.345 -6.006 22 1HG1 VAL 3 3HG1 VAL 3 12.361 -4.549 -3.778 23 2HG1 VAL 3 2HG1 VAL 3 10.628 -4.815 -3.588 24 3HG1 VAL 3 1HG1 VAL 3 11.466 -5.440 -5.008 25 1HG2 VAL 3 2HG2 VAL 3 9.426 -2.233 -5.758 26 2HG2 VAL 3 1HG2 VAL 3 9.253 -3.986 -5.829 27 3HG2 VAL 3 3HG2 VAL 3 9.135 -3.151 -4.281 28 H THR 4 H THR 4 12.521 -3.083 -2.012 29 HA THR 4 HA THR 4 11.668 -3.302 0.158 30 HB THR 4 HB THR 4 10.209 -1.003 0.634 31 HG1 THR 4 HG1 THR 4 11.459 0.601 -0.470 32 1HG2 THR 4 3HG2 THR 4 12.439 -2.102 1.603 33 2HG2 THR 4 2HG2 THR 4 13.181 -0.804 0.667 34 3HG2 THR 4 1HG2 THR 4 12.012 -0.424 1.932 35 H CYS 5 H CYS 5 9.363 -2.617 1.418 36 HA CYS 5 HA CYS 5 7.134 -3.273 1.668 37 1HB CYS 5 2HB CYS 5 7.186 -1.779 -0.593 38 2HB CYS 5 1HB CYS 5 6.581 -3.303 -1.218 39 H LYS 6 H LYS 6 9.336 -5.276 0.936 40 HA LYS 6 HA LYS 6 9.471 -7.586 0.558 41 1HB LYS 6 2HB LYS 6 7.211 -7.150 2.086 42 2HB LYS 6 1HB LYS 6 6.566 -8.067 0.725 43 1HG LYS 6 2HG LYS 6 7.925 -9.926 1.165 44 2HG LYS 6 1HG LYS 6 9.085 -8.978 2.096 45 1HD LYS 6 2HD LYS 6 7.988 -9.894 3.881 46 2HD LYS 6 1HD LYS 6 6.851 -8.579 3.585 47 1HE LYS 6 2HE LYS 6 5.976 -10.495 1.811 48 2HE LYS 6 1HE LYS 6 6.517 -11.476 3.174 49 1HZ LYS 6 1HZ LYS 6 4.796 -9.099 3.542 50 2HZ LYS 6 3HZ LYS 6 4.143 -10.633 3.227 51 3HZ LYS 6 2HZ LYS 6 5.076 -10.379 4.625 52 H SER 7 H SER 7 7.630 -9.330 -0.721 53 HA SER 7 HA SER 7 7.753 -8.248 -3.494 54 1HB SER 7 2HB SER 7 7.384 -11.093 -2.508 55 2HB SER 7 1HB SER 7 7.534 -10.607 -4.195 56 HG SER 7 HG SER 7 9.555 -11.174 -3.530 57 H GLY 8 H GLY 8 5.892 -8.964 -4.939 58 1HA GLY 8 2HA GLY 8 3.598 -8.954 -5.433 59 2HA GLY 8 1HA GLY 8 3.361 -9.750 -3.877 60 H ASP 9 H ASP 9 4.756 -6.533 -4.480 61 HA ASP 9 HA ASP 9 2.923 -5.371 -2.500 62 1HB ASP 9 2HB ASP 9 4.667 -3.624 -4.187 63 2HB ASP 9 1HB ASP 9 4.324 -3.540 -2.468 64 H PHE 10 H PHE 10 2.290 -2.915 -3.440 65 HA PHE 10 HA PHE 10 1.491 -2.738 -6.140 66 1HB PHE 10 2HB PHE 10 -0.484 -3.831 -6.321 67 2HB PHE 10 1HB PHE 10 -0.070 -4.614 -4.808 68 HD1 PHE 10 HD1 PHE 10 -1.989 -1.825 -6.339 69 HD2 PHE 10 HD2 PHE 10 -1.280 -4.106 -2.766 70 HE1 PHE 10 HE1 PHE 10 -4.024 -0.840 -5.315 71 HE2 PHE 10 HE2 PHE 10 -3.312 -3.115 -1.747 72 HZ PHE 10 HZ PHE 10 -4.689 -1.511 -3.005 73 H SER 11 H SER 11 0.892 -0.648 -6.568 74 HA SER 11 HA SER 11 0.744 1.198 -4.268 75 1HB SER 11 2HB SER 11 0.718 2.947 -6.104 76 2HB SER 11 1HB SER 11 2.150 1.921 -6.092 77 HG SER 11 HG SER 11 1.464 1.881 -8.162 78 H CYS 12 H CYS 12 -1.219 1.794 -3.445 79 HA CYS 12 HA CYS 12 -3.700 0.846 -4.329 80 1HB CYS 12 2HB CYS 12 -4.664 2.796 -3.022 81 2HB CYS 12 1HB CYS 12 -3.546 1.789 -2.125 82 H GLY 13 H GLY 13 -1.979 3.794 -5.266 83 1HA GLY 13 2HA GLY 13 -3.315 4.001 -7.791 84 2HA GLY 13 1HA GLY 13 -4.029 5.148 -6.659 85 H GLY 14 H GLY 14 -1.594 4.773 -8.916 86 1HA GLY 14 2HA GLY 14 0.138 6.220 -9.570 87 2HA GLY 14 1HA GLY 14 -0.482 7.381 -8.394 88 H ARG 15 H ARG 15 2.003 7.627 -8.190 89 HA ARG 15 HA ARG 15 3.080 5.601 -6.274 90 1HB ARG 15 2HB ARG 15 4.547 7.651 -7.966 91 2HB ARG 15 1HB ARG 15 5.309 6.487 -6.880 92 1HG ARG 15 2HG ARG 15 4.376 4.627 -8.186 93 2HG ARG 15 1HG ARG 15 3.562 5.768 -9.254 94 1HD ARG 15 2HD ARG 15 6.434 6.309 -8.977 95 2HD ARG 15 1HD ARG 15 6.088 4.724 -9.668 96 HE ARG 15 HE ARG 15 4.498 6.814 -10.906 97 1HH1 ARG 15 1HH2 ARG 15 6.476 4.326 -11.658 98 2HH1 ARG 15 2HH2 ARG 15 7.376 5.127 -12.901 99 1HH2 ARG 15 2HH1 ARG 15 6.137 8.274 -12.142 100 2HH2 ARG 15 1HH1 ARG 15 7.185 7.361 -13.175 101 H VAL 16 H VAL 16 1.785 6.690 -4.569 102 HA VAL 16 HA VAL 16 2.677 9.377 -3.821 103 HB VAL 16 HB VAL 16 0.256 8.828 -3.817 104 1HG1 VAL 16 3HG1 VAL 16 1.075 6.446 -2.642 105 2HG1 VAL 16 2HG1 VAL 16 0.329 7.321 -1.306 106 3HG1 VAL 16 1HG1 VAL 16 -0.590 7.009 -2.779 107 1HG2 VAL 16 1HG2 VAL 16 1.595 10.387 -2.083 108 2HG2 VAL 16 3HG2 VAL 16 -0.153 10.173 -1.997 109 3HG2 VAL 16 2HG2 VAL 16 0.901 9.240 -0.936 110 H ASN 17 H ASN 17 4.422 6.942 -3.556 111 HA ASN 17 HA ASN 17 5.972 6.105 -2.017 112 1HB ASN 17 2HB ASN 17 5.632 8.794 -1.393 113 2HB ASN 17 1HB ASN 17 5.380 7.989 0.155 114 1HD2 ASN 17 2HD2 ASN 17 8.741 6.565 0.144 115 2HD2 ASN 17 1HD2 ASN 17 7.146 6.112 0.507 116 H ARG 18 H ARG 18 3.178 5.186 -1.981 117 HA ARG 18 HA ARG 18 3.193 4.024 0.758 118 1HB ARG 18 2HB ARG 18 1.433 6.032 0.121 119 2HB ARG 18 1HB ARG 18 0.497 4.603 -0.315 120 1HG ARG 18 2HG ARG 18 1.958 4.595 2.299 121 2HG ARG 18 1HG ARG 18 0.474 5.540 2.173 122 1HD ARG 18 2HD ARG 18 -0.815 3.618 1.576 123 2HD ARG 18 1HD ARG 18 0.632 2.648 1.299 124 HE ARG 18 HE ARG 18 -0.609 3.165 3.886 125 1HH1 ARG 18 2HH1 ARG 18 2.015 4.101 4.576 126 2HH1 ARG 18 1HH1 ARG 18 2.926 2.659 4.878 127 1HH2 ARG 18 1HH2 ARG 18 0.685 0.583 3.236 128 2HH2 ARG 18 2HH2 ARG 18 2.173 0.667 4.119 129 H CYS 19 H CYS 19 3.440 1.880 0.334 130 HA CYS 19 HA CYS 19 2.048 0.740 -2.036 131 1HB CYS 19 2HB CYS 19 3.698 -1.108 -1.817 132 2HB CYS 19 1HB CYS 19 4.461 0.446 -2.109 133 H ILE 20 H ILE 20 1.496 -1.669 -1.679 134 HA ILE 20 HA ILE 20 0.701 -2.350 1.076 135 HB ILE 20 HB ILE 20 -1.607 -2.990 -0.481 136 1HG1 ILE 20 2HG1 ILE 20 -0.695 -0.121 -0.865 137 2HG1 ILE 20 1HG1 ILE 20 -1.175 -1.274 -2.100 138 1HG2 ILE 20 2HG2 ILE 20 -1.044 -2.148 2.038 139 2HG2 ILE 20 1HG2 ILE 20 -1.766 -0.688 1.363 140 3HG2 ILE 20 3HG2 ILE 20 -2.671 -2.201 1.359 141 1HD1 ILE 20 2HD1 ILE 20 -3.453 -1.255 -0.680 142 2HD1 ILE 20 1HD1 ILE 20 -2.877 0.362 -0.279 143 3HD1 ILE 20 3HD1 ILE 20 -3.140 -0.088 -1.961 144 HA PRO 21 HA PRO 21 1.553 -6.395 -0.448 145 1HB PRO 21 2HB PRO 21 -0.235 -7.945 0.959 146 2HB PRO 21 1HB PRO 21 1.218 -7.249 1.666 147 1HG PRO 21 2HG PRO 21 -1.584 -6.392 1.987 148 2HG PRO 21 1HG PRO 21 -0.243 -6.213 3.108 149 1HD PRO 21 2HD PRO 21 -1.302 -4.193 1.484 150 2HD PRO 21 1HD PRO 21 0.275 -4.159 2.280 151 H GLN 22 H GLN 22 0.638 -8.248 -1.679 152 HA GLN 22 HA GLN 22 -1.214 -7.480 -3.693 153 1HB GLN 22 2HB GLN 22 0.437 -9.691 -3.148 154 2HB GLN 22 1HB GLN 22 -1.186 -10.331 -3.349 155 1HG GLN 22 2HG GLN 22 -1.403 -9.215 -5.510 156 2HG GLN 22 1HG GLN 22 0.180 -8.465 -5.303 157 1HE2 GLN 22 2HE2 GLN 22 -0.039 -12.453 -6.258 158 2HE2 GLN 22 1HE2 GLN 22 -1.410 -11.662 -5.646 159 H PHE 23 H PHE 23 -1.676 -8.888 -0.534 160 HA PHE 23 HA PHE 23 -4.332 -9.888 -0.920 161 1HB PHE 23 2HB PHE 23 -2.701 -10.353 1.010 162 2HB PHE 23 1HB PHE 23 -3.285 -8.830 1.662 163 HD1 PHE 23 HD2 PHE 23 -5.861 -8.526 1.851 164 HD2 PHE 23 HD1 PHE 23 -3.918 -12.329 1.397 165 HE1 PHE 23 HE2 PHE 23 -7.881 -9.662 2.732 166 HE2 PHE 23 HE1 PHE 23 -5.940 -13.467 2.277 167 HZ PHE 23 HZ PHE 23 -7.921 -12.132 2.946 168 H TRP 24 H TRP 24 -3.065 -6.744 0.196 169 HA TRP 24 HA TRP 24 -5.705 -5.663 0.678 170 1HB TRP 24 2HB TRP 24 -2.966 -4.520 0.522 171 2HB TRP 24 1HB TRP 24 -4.350 -3.445 0.602 172 HD1 TRP 24 HD1 TRP 24 -3.390 -6.729 2.408 173 HE1 TRP 24 HE1 TRP 24 -3.844 -6.448 4.924 174 HE3 TRP 24 HE3 TRP 24 -5.065 -1.858 2.506 175 HZ2 TRP 24 HZ2 TRP 24 -4.786 -4.473 6.734 176 HZ3 TRP 24 HZ3 TRP 24 -5.748 -0.847 4.662 177 HH2 TRP 24 HH2 TRP 24 -5.600 -2.132 6.766 178 H ARG 25 H ARG 25 -4.008 -6.300 -2.216 179 HA ARG 25 HA ARG 25 -5.026 -4.082 -3.795 180 1HB ARG 25 2HB ARG 25 -3.142 -5.375 -4.656 181 2HB ARG 25 1HB ARG 25 -4.053 -6.878 -4.537 182 1HG ARG 25 2HG ARG 25 -4.003 -6.125 -6.868 183 2HG ARG 25 1HG ARG 25 -5.650 -6.019 -6.243 184 1HD ARG 25 2HD ARG 25 -5.220 -3.594 -5.728 185 2HD ARG 25 1HD ARG 25 -3.672 -3.749 -6.557 186 HE ARG 25 HE ARG 25 -6.157 -4.444 -8.037 187 1HH1 ARG 25 1HH2 ARG 25 -3.927 -4.397 -9.767 188 2HH1 ARG 25 2HH2 ARG 25 -3.788 -2.754 -10.298 189 1HH2 ARG 25 2HH1 ARG 25 -5.753 -1.481 -7.741 190 2HH2 ARG 25 1HH1 ARG 25 -4.820 -1.104 -9.151 191 H CYS 26 H CYS 26 -7.019 -3.988 -4.859 192 HA CYS 26 HA CYS 26 -9.157 -4.662 -5.620 193 1HB CYS 26 2HB CYS 26 -8.058 -7.157 -5.358 194 2HB CYS 26 1HB CYS 26 -9.290 -7.208 -4.100 195 H ASP 27 H ASP 27 -8.421 -5.830 -2.304 196 HA ASP 27 HA ASP 27 -10.857 -4.450 -1.345 197 1HB ASP 27 2HB ASP 27 -9.099 -6.579 -0.188 198 2HB ASP 27 1HB ASP 27 -10.304 -5.746 0.775 199 H GLY 28 H GLY 28 -7.797 -5.158 0.293 200 1HA GLY 28 2HA GLY 28 -6.275 -3.767 1.397 201 2HA GLY 28 1HA GLY 28 -6.676 -2.561 0.161 202 H GLN 29 H GLN 29 -9.459 -3.550 1.929 203 HA GLN 29 HA GLN 29 -10.815 -2.192 3.330 204 1HB GLN 29 2HB GLN 29 -8.150 -1.421 4.592 205 2HB GLN 29 1HB GLN 29 -9.725 -1.463 5.372 206 1HG GLN 29 2HG GLN 29 -9.366 -4.029 4.343 207 2HG GLN 29 1HG GLN 29 -7.805 -3.568 5.008 208 1HE2 GLN 29 2HE2 GLN 29 -10.999 -3.639 7.610 209 2HE2 GLN 29 1HE2 GLN 29 -11.265 -3.204 5.991 210 H VAL 30 H VAL 30 -8.746 0.365 4.177 211 HA VAL 30 HA VAL 30 -8.749 1.602 1.586 212 HB VAL 30 HB VAL 30 -10.563 2.562 3.777 213 1HG1 VAL 30 1HG1 VAL 30 -9.122 4.168 1.686 214 2HG1 VAL 30 3HG1 VAL 30 -10.829 4.529 1.952 215 3HG1 VAL 30 2HG1 VAL 30 -9.678 4.673 3.282 216 1HG2 VAL 30 2HG2 VAL 30 -10.683 1.809 0.867 217 2HG2 VAL 30 1HG2 VAL 30 -11.603 1.140 2.213 218 3HG2 VAL 30 3HG2 VAL 30 -11.977 2.753 1.603 219 H ASP 31 H ASP 31 -6.605 0.888 2.611 220 HA ASP 31 HA ASP 31 -5.339 2.528 4.583 221 1HB ASP 31 2HB ASP 31 -4.422 0.361 4.025 222 2HB ASP 31 1HB ASP 31 -4.225 0.844 2.357 223 H CYS 32 H CYS 32 -6.242 3.108 1.304 224 HA CYS 32 HA CYS 32 -4.443 5.485 1.234 225 1HB CYS 32 2HB CYS 32 -5.258 3.531 -0.858 226 2HB CYS 32 1HB CYS 32 -5.141 5.215 -1.353 227 H ASP 33 H ASP 33 -5.837 6.968 2.176 228 HA ASP 33 HA ASP 33 -8.638 7.188 1.525 229 1HB ASP 33 2HB ASP 33 -8.438 9.452 2.594 230 2HB ASP 33 1HB ASP 33 -7.798 8.153 3.600 231 H ASN 34 H ASN 34 -9.555 8.146 -0.242 232 HA ASN 34 HA ASN 34 -9.726 9.305 -2.269 233 1HB ASN 34 2HB ASN 34 -7.982 10.918 -0.603 234 2HB ASN 34 1HB ASN 34 -7.635 11.128 -2.313 235 1HD2 ASN 34 2HD2 ASN 34 -11.395 12.141 -0.962 236 2HD2 ASN 34 1HD2 ASN 34 -10.528 10.927 -0.152 237 H GLY 35 H GLY 35 -7.857 6.949 -1.864 238 1HA GLY 35 2HA GLY 35 -5.963 7.483 -4.115 239 2HA GLY 35 1HA GLY 35 -5.736 6.225 -2.903 240 H SER 36 H SER 36 -6.176 4.198 -3.696 241 HA SER 36 HA SER 36 -8.670 3.568 -4.942 242 1HB SER 36 2HB SER 36 -7.335 2.904 -7.199 243 2HB SER 36 1HB SER 36 -8.194 4.426 -6.998 244 HG SER 36 HG SER 36 -6.350 5.425 -7.001 245 H ASP 37 H ASP 37 -6.782 2.407 -2.915 246 HA ASP 37 HA ASP 37 -5.452 0.111 -3.881 247 1HB ASP 37 2HB ASP 37 -6.046 -0.884 -1.584 248 2HB ASP 37 1HB ASP 37 -5.117 0.599 -1.596 249 H GLU 38 H GLU 38 -8.861 0.765 -3.630 250 HA GLU 38 HA GLU 38 -9.406 -1.978 -4.677 251 1HB GLU 38 2HB GLU 38 -11.617 -1.855 -3.462 252 2HB GLU 38 1HB GLU 38 -10.217 -1.986 -2.405 253 1HG GLU 38 2HG GLU 38 -10.241 0.472 -2.082 254 2HG GLU 38 1HG GLU 38 -11.673 0.577 -3.106 255 H GLN 39 H GLN 39 -9.005 -0.243 -6.578 256 HA GLN 39 HA GLN 39 -11.538 1.152 -7.229 257 1HB GLN 39 2HB GLN 39 -9.185 2.209 -7.421 258 2HB GLN 39 1HB GLN 39 -9.066 1.236 -8.878 259 1HG GLN 39 2HG GLN 39 -10.858 2.343 -9.931 260 2HG GLN 39 1HG GLN 39 -11.456 2.994 -8.404 261 1HE2 GLN 39 2HE2 GLN 39 -9.826 5.980 -9.477 262 2HE2 GLN 39 1HE2 GLN 39 -11.328 5.206 -9.321 263 H GLY 40 H GLY 40 -9.203 -1.058 -8.780 264 1HA GLY 40 2HA GLY 40 -11.248 -1.793 -10.790 265 2HA GLY 40 1HA GLY 40 -9.555 -2.286 -10.813 266 H CYS 41 HN CYS 41 -12.050 -2.583 -8.270 267 HA CYS 41 HA CYS 41 -11.428 -5.499 -8.167 268 1HB CYS 41 2HB CYS 41 -11.063 -3.933 -6.131 269 2HB CYS 41 1HB CYS 41 -12.821 -3.929 -6.004 No H/Q in entry = 269 Start of MODEL 7 Raw file had 276 H/Q atoms Start of MODEL 7 1 1H LEU 1 1H LEU 1 10.238 -2.719 -13.652 2 2H LEU 1 3H LEU 1 11.865 -2.357 -13.962 3 3H LEU 1 2H LEU 1 11.052 -3.493 -14.926 4 HA LEU 1 HA LEU 1 11.094 -5.121 -13.331 5 1HB LEU 1 2HB LEU 1 13.556 -3.388 -13.063 6 2HB LEU 1 1HB LEU 1 13.423 -4.956 -12.266 7 HG LEU 1 HG LEU 1 12.669 -4.959 -15.129 8 1HD1 LEU 1 1HD1 LEU 1 14.759 -3.372 -14.740 9 2HD1 LEU 1 3HD1 LEU 1 15.611 -4.907 -14.568 10 3HD1 LEU 1 2HD1 LEU 1 14.749 -4.538 -16.062 11 1HD2 LEU 1 2HD2 LEU 1 14.466 -6.651 -13.360 12 2HD2 LEU 1 1HD2 LEU 1 12.813 -7.027 -13.847 13 3HD2 LEU 1 3HD2 LEU 1 14.104 -7.016 -15.047 14 H SER 2 H SER 2 11.289 -1.893 -11.968 15 HA SER 2 HA SER 2 9.900 -2.815 -9.554 16 1HB SER 2 2HB SER 2 12.348 -3.187 -9.068 17 2HB SER 2 1HB SER 2 12.597 -1.456 -9.276 18 HG SER 2 HG SER 2 12.164 -1.556 -7.183 19 H VAL 3 H VAL 3 9.462 -0.950 -11.812 20 HA VAL 3 HA VAL 3 9.719 1.729 -10.770 21 HB VAL 3 HB VAL 3 9.751 1.256 -13.194 22 1HG1 VAL 3 3HG1 VAL 3 7.334 -0.192 -12.530 23 2HG1 VAL 3 2HG1 VAL 3 6.995 0.999 -13.786 24 3HG1 VAL 3 1HG1 VAL 3 8.259 -0.205 -14.031 25 1HG2 VAL 3 1HG2 VAL 3 8.869 3.452 -12.124 26 2HG2 VAL 3 3HG2 VAL 3 8.525 3.169 -13.829 27 3HG2 VAL 3 2HG2 VAL 3 7.276 2.883 -12.618 28 H THR 4 H THR 4 7.442 -0.805 -10.282 29 HA THR 4 HA THR 4 5.357 1.146 -9.424 30 HB THR 4 HB THR 4 4.017 -1.129 -9.262 31 HG1 THR 4 HG1 THR 4 5.954 -1.727 -11.239 32 1HG2 THR 4 3HG2 THR 4 3.960 0.915 -10.962 33 2HG2 THR 4 2HG2 THR 4 4.610 -0.295 -12.070 34 3HG2 THR 4 1HG2 THR 4 3.054 -0.564 -11.282 35 H CYS 5 H CYS 5 5.989 -2.159 -8.276 36 HA CYS 5 HA CYS 5 7.033 -1.366 -5.715 37 1HB CYS 5 2HB CYS 5 4.379 -0.820 -5.894 38 2HB CYS 5 1HB CYS 5 4.343 -2.468 -5.293 39 H LYS 6 H LYS 6 8.139 -3.209 -7.191 40 HA LYS 6 HA LYS 6 8.801 -5.458 -7.294 41 1HB LYS 6 2HB LYS 6 7.512 -5.244 -4.582 42 2HB LYS 6 1HB LYS 6 8.088 -6.804 -5.170 43 1HG LYS 6 2HG LYS 6 9.931 -4.470 -5.428 44 2HG LYS 6 1HG LYS 6 9.686 -5.141 -3.815 45 1HD LYS 6 2HD LYS 6 10.233 -7.407 -4.720 46 2HD LYS 6 1HD LYS 6 10.602 -6.658 -6.274 47 1HE LYS 6 2HE LYS 6 12.535 -5.666 -5.499 48 2HE LYS 6 1HE LYS 6 11.926 -5.528 -3.849 49 1HZ LYS 6 1HZ LYS 6 12.661 -8.095 -5.143 50 2HZ LYS 6 3HZ LYS 6 13.693 -7.215 -4.124 51 3HZ LYS 6 2HZ LYS 6 12.241 -7.855 -3.514 52 H SER 7 H SER 7 7.678 -7.834 -6.825 53 HA SER 7 HA SER 7 5.149 -7.724 -8.399 54 1HB SER 7 2HB SER 7 5.644 -9.996 -9.060 55 2HB SER 7 1HB SER 7 7.118 -9.052 -9.257 56 HG SER 7 HG SER 7 7.407 -11.080 -8.143 57 H GLY 8 H GLY 8 4.888 -7.095 -5.689 58 1HA GLY 8 2HA GLY 8 3.134 -9.293 -4.798 59 2HA GLY 8 1HA GLY 8 4.457 -8.880 -3.704 60 H ASP 9 H ASP 9 4.601 -6.188 -3.804 61 HA ASP 9 HA ASP 9 2.305 -5.316 -2.277 62 1HB ASP 9 2HB ASP 9 4.259 -3.423 -3.563 63 2HB ASP 9 1HB ASP 9 3.449 -3.281 -2.009 64 H PHE 10 H PHE 10 1.807 -2.755 -3.224 65 HA PHE 10 HA PHE 10 1.334 -2.596 -6.005 66 1HB PHE 10 2HB PHE 10 -0.651 -3.631 -6.374 67 2HB PHE 10 1HB PHE 10 -0.439 -4.382 -4.804 68 HD1 PHE 10 HD2 PHE 10 -1.836 -1.252 -6.382 69 HD2 PHE 10 HD1 PHE 10 -2.081 -4.070 -3.144 70 HE1 PHE 10 HE2 PHE 10 -3.916 -0.145 -5.583 71 HE2 PHE 10 HE1 PHE 10 -4.159 -2.964 -2.362 72 HZ PHE 10 HZ PHE 10 -5.079 -1.037 -3.554 73 H SER 11 H SER 11 1.330 -0.440 -6.339 74 HA SER 11 HA SER 11 0.821 1.429 -4.176 75 1HB SER 11 2HB SER 11 2.354 2.218 -5.801 76 2HB SER 11 1HB SER 11 1.330 1.711 -7.141 77 HG SER 11 HG SER 11 0.952 3.855 -5.327 78 H CYS 12 H CYS 12 -1.118 2.401 -3.687 79 HA CYS 12 HA CYS 12 -3.593 1.362 -4.338 80 1HB CYS 12 2HB CYS 12 -2.950 4.234 -3.769 81 2HB CYS 12 1HB CYS 12 -4.535 3.508 -3.612 82 H GLY 13 H GLY 13 -1.977 4.076 -5.999 83 1HA GLY 13 2HA GLY 13 -2.744 3.552 -8.604 84 2HA GLY 13 1HA GLY 13 -4.127 4.414 -7.930 85 H GLY 14 H GLY 14 -0.667 4.864 -7.274 86 1HA GLY 14 2HA GLY 14 0.263 6.872 -8.737 87 2HA GLY 14 1HA GLY 14 -0.998 7.753 -7.871 88 H ARG 15 H ARG 15 1.184 8.893 -7.241 89 HA ARG 15 HA ARG 15 2.702 9.419 -5.538 90 1HB ARG 15 2HB ARG 15 0.904 7.528 -3.991 91 2HB ARG 15 1HB ARG 15 2.133 8.563 -3.263 92 1HG ARG 15 2HG ARG 15 0.937 10.494 -3.647 93 2HG ARG 15 1HG ARG 15 0.164 9.853 -5.096 94 1HD ARG 15 2HD ARG 15 -1.604 9.059 -3.927 95 2HD ARG 15 1HD ARG 15 -0.574 8.380 -2.668 96 HE ARG 15 HE ARG 15 -0.426 10.971 -2.002 97 1HH1 ARG 15 1HH2 ARG 15 -2.600 12.101 -3.378 98 2HH1 ARG 15 2HH2 ARG 15 -4.001 11.724 -2.431 99 1HH2 ARG 15 2HH1 ARG 15 -2.450 9.184 -0.655 100 2HH2 ARG 15 1HH1 ARG 15 -3.917 10.075 -0.891 101 H VAL 16 H VAL 16 4.666 8.589 -6.124 102 HA VAL 16 HA VAL 16 5.335 5.868 -6.429 103 HB VAL 16 HB VAL 16 6.690 7.703 -7.347 104 1HG1 VAL 16 1HG1 VAL 16 7.190 8.278 -4.422 105 2HG1 VAL 16 3HG1 VAL 16 8.258 8.873 -5.693 106 3HG1 VAL 16 2HG1 VAL 16 6.568 9.372 -5.657 107 1HG2 VAL 16 3HG2 VAL 16 7.647 5.357 -6.494 108 2HG2 VAL 16 2HG2 VAL 16 8.715 6.596 -7.154 109 3HG2 VAL 16 1HG2 VAL 16 8.563 6.402 -5.408 110 H ASN 17 H ASN 17 5.132 7.834 -3.543 111 HA ASN 17 HA ASN 17 6.614 5.865 -1.919 112 1HB ASN 17 2HB ASN 17 5.128 8.371 -1.080 113 2HB ASN 17 1HB ASN 17 6.225 7.428 -0.071 114 1HD2 ASN 17 2HD2 ASN 17 8.027 10.325 -1.777 115 2HD2 ASN 17 1HD2 ASN 17 6.566 10.265 -0.915 116 H ARG 18 H ARG 18 5.588 4.985 0.066 117 HA ARG 18 HA ARG 18 3.912 3.779 1.160 118 1HB ARG 18 2HB ARG 18 2.793 6.079 1.072 119 2HB ARG 18 1HB ARG 18 1.906 5.479 -0.330 120 1HG ARG 18 2HG ARG 18 1.543 3.412 1.418 121 2HG ARG 18 1HG ARG 18 1.614 4.777 2.533 122 1HD ARG 18 2HD ARG 18 -0.053 5.108 0.083 123 2HD ARG 18 1HD ARG 18 -0.671 4.039 1.343 124 HE ARG 18 HE ARG 18 0.213 6.494 2.528 125 1HH1 ARG 18 2HH1 ARG 18 -2.416 5.099 3.049 126 2HH1 ARG 18 1HH1 ARG 18 -3.550 6.246 2.420 127 1HH2 ARG 18 1HH2 ARG 18 -1.165 8.003 0.614 128 2HH2 ARG 18 2HH2 ARG 18 -2.841 7.893 1.040 129 H CYS 19 H CYS 19 2.902 1.844 0.741 130 HA CYS 19 HA CYS 19 1.848 1.323 -1.969 131 1HB CYS 19 2HB CYS 19 4.358 0.316 -0.936 132 2HB CYS 19 1HB CYS 19 3.275 -0.992 -1.380 133 H ILE 20 H ILE 20 1.084 -1.196 -1.864 134 HA ILE 20 HA ILE 20 -0.240 -1.654 0.774 135 HB ILE 20 HB ILE 20 -1.540 -1.795 -1.968 136 1HG1 ILE 20 2HG1 ILE 20 -1.134 0.491 -1.131 137 2HG1 ILE 20 1HG1 ILE 20 -2.853 0.116 -1.232 138 1HG2 ILE 20 2HG2 ILE 20 -2.718 -2.245 0.790 139 2HG2 ILE 20 1HG2 ILE 20 -3.654 -2.139 -0.690 140 3HG2 ILE 20 3HG2 ILE 20 -2.520 -3.470 -0.465 141 1HD1 ILE 20 1HD1 ILE 20 -2.862 -0.477 1.180 142 2HD1 ILE 20 3HD1 ILE 20 -1.166 -0.018 1.291 143 3HD1 ILE 20 2HD1 ILE 20 -2.385 1.198 0.924 144 HA PRO 21 HA PRO 21 1.424 -5.704 0.063 145 1HB PRO 21 2HB PRO 21 -0.192 -7.158 1.765 146 2HB PRO 21 1HB PRO 21 1.189 -6.197 2.296 147 1HG PRO 21 2HG PRO 21 -1.700 -5.559 2.481 148 2HG PRO 21 1HG PRO 21 -0.392 -5.087 3.560 149 1HD PRO 21 2HD PRO 21 -1.572 -3.434 1.686 150 2HD PRO 21 1HD PRO 21 0.041 -3.198 2.357 151 H GLN 22 H GLN 22 0.860 -7.755 -0.899 152 HA GLN 22 HA GLN 22 -0.993 -7.702 -3.021 153 1HB GLN 22 2HB GLN 22 -0.731 -10.187 -3.016 154 2HB GLN 22 1HB GLN 22 0.793 -9.327 -2.910 155 1HG GLN 22 2HG GLN 22 1.151 -10.841 -1.231 156 2HG GLN 22 1HG GLN 22 0.341 -9.592 -0.295 157 1HE2 GLN 22 2HE2 GLN 22 -1.752 -12.316 0.707 158 2HE2 GLN 22 1HE2 GLN 22 -0.438 -11.350 1.175 159 H PHE 23 H PHE 23 -1.332 -8.807 0.260 160 HA PHE 23 HA PHE 23 -3.889 -10.033 0.055 161 1HB PHE 23 2HB PHE 23 -2.243 -10.152 1.998 162 2HB PHE 23 1HB PHE 23 -2.917 -8.605 2.484 163 HD1 PHE 23 HD2 PHE 23 -4.009 -12.035 1.464 164 HD2 PHE 23 HD1 PHE 23 -4.830 -8.546 3.830 165 HE1 PHE 23 HE2 PHE 23 -5.957 -13.185 2.482 166 HE2 PHE 23 HE1 PHE 23 -6.779 -9.694 4.846 167 HZ PHE 23 HZ PHE 23 -7.343 -12.013 4.173 168 H TRP 24 H TRP 24 -2.990 -6.620 0.777 169 HA TRP 24 HA TRP 24 -5.775 -5.877 1.127 170 1HB TRP 24 2HB TRP 24 -3.165 -4.464 1.025 171 2HB TRP 24 1HB TRP 24 -4.660 -3.538 1.038 172 HD1 TRP 24 HD1 TRP 24 -3.456 -6.684 2.971 173 HE1 TRP 24 HE1 TRP 24 -3.973 -6.324 5.475 174 HE3 TRP 24 HE3 TRP 24 -5.356 -1.945 2.809 175 HZ2 TRP 24 HZ2 TRP 24 -5.047 -4.298 7.183 176 HZ3 TRP 24 HZ3 TRP 24 -6.123 -0.829 4.890 177 HH2 TRP 24 HH2 TRP 24 -5.960 -1.994 7.073 178 H ARG 25 H ARG 25 -4.015 -6.650 -1.619 179 HA ARG 25 HA ARG 25 -5.047 -4.599 -3.423 180 1HB ARG 25 2HB ARG 25 -2.989 -5.764 -4.030 181 2HB ARG 25 1HB ARG 25 -3.781 -7.329 -3.887 182 1HG ARG 25 2HG ARG 25 -3.640 -6.814 -6.235 183 2HG ARG 25 1HG ARG 25 -5.326 -6.618 -5.767 184 1HD ARG 25 2HD ARG 25 -5.042 -4.200 -5.609 185 2HD ARG 25 1HD ARG 25 -3.319 -4.358 -5.945 186 HE ARG 25 HE ARG 25 -5.464 -4.487 -7.920 187 1HH1 ARG 25 1HH2 ARG 25 -4.503 -6.778 -9.000 188 2HH1 ARG 25 2HH2 ARG 25 -3.001 -6.412 -9.781 189 1HH2 ARG 25 2HH1 ARG 25 -2.549 -3.417 -8.089 190 2HH2 ARG 25 1HH1 ARG 25 -1.892 -4.509 -9.262 191 H CYS 26 H CYS 26 -6.758 -4.931 -4.936 192 HA CYS 26 HA CYS 26 -8.721 -5.881 -5.838 193 1HB CYS 26 2HB CYS 26 -8.600 -8.069 -3.739 194 2HB CYS 26 1HB CYS 26 -9.544 -8.049 -5.223 195 H ASP 27 H ASP 27 -8.510 -6.243 -2.286 196 HA ASP 27 HA ASP 27 -11.145 -4.989 -1.986 197 1HB ASP 27 2HB ASP 27 -9.174 -6.237 -0.106 198 2HB ASP 27 1HB ASP 27 -10.565 -5.342 0.486 199 H GLY 28 H GLY 28 -8.108 -4.520 -0.231 200 1HA GLY 28 2HA GLY 28 -6.751 -2.535 -0.188 201 2HA GLY 28 1HA GLY 28 -8.058 -1.649 -0.977 202 H GLN 29 H GLN 29 -10.065 -2.831 0.936 203 HA GLN 29 HA GLN 29 -11.100 -2.015 2.897 204 1HB GLN 29 2HB GLN 29 -8.257 -1.698 3.946 205 2HB GLN 29 1HB GLN 29 -9.715 -1.977 4.884 206 1HG GLN 29 2HG GLN 29 -9.780 -4.125 3.255 207 2HG GLN 29 1HG GLN 29 -8.048 -3.856 3.386 208 1HE2 GLN 29 2HE2 GLN 29 -10.137 -5.009 6.719 209 2HE2 GLN 29 1HE2 GLN 29 -10.973 -4.417 5.366 210 H VAL 30 H VAL 30 -8.734 0.125 4.103 211 HA VAL 30 HA VAL 30 -9.153 2.106 2.056 212 HB VAL 30 HB VAL 30 -10.294 2.407 4.824 213 1HG1 VAL 30 3HG1 VAL 30 -9.308 4.481 2.889 214 2HG1 VAL 30 2HG1 VAL 30 -10.854 4.788 3.679 215 3HG1 VAL 30 1HG1 VAL 30 -9.398 4.559 4.649 216 1HG2 VAL 30 1HG2 VAL 30 -11.237 2.510 1.961 217 2HG2 VAL 30 3HG2 VAL 30 -11.771 1.424 3.243 218 3HG2 VAL 30 2HG2 VAL 30 -12.226 3.127 3.286 219 H ASP 31 H ASP 31 -6.948 0.956 2.374 220 HA ASP 31 HA ASP 31 -5.211 2.316 4.319 221 1HB ASP 31 2HB ASP 31 -5.202 -0.164 2.992 222 2HB ASP 31 1HB ASP 31 -3.840 0.696 2.388 223 H CYS 32 H CYS 32 -6.612 3.493 1.713 224 HA CYS 32 HA CYS 32 -4.118 4.780 0.696 225 1HB CYS 32 2HB CYS 32 -6.596 4.105 -0.941 226 2HB CYS 32 1HB CYS 32 -5.090 4.798 -1.543 227 H ASP 33 H ASP 33 -6.562 5.434 2.657 228 HA ASP 33 HA ASP 33 -7.832 7.330 3.207 229 1HB ASP 33 2HB ASP 33 -5.581 8.668 1.672 230 2HB ASP 33 1HB ASP 33 -6.688 9.482 2.779 231 H ASN 34 H ASN 34 -9.243 6.206 1.357 232 HA ASN 34 HA ASN 34 -10.733 6.542 -0.421 233 1HB ASN 34 2HB ASN 34 -10.540 8.988 0.923 234 2HB ASN 34 1HB ASN 34 -10.374 9.384 -0.780 235 1HD2 ASN 34 2HD2 ASN 34 -13.989 8.305 0.660 236 2HD2 ASN 34 1HD2 ASN 34 -12.639 8.498 1.672 237 H GLY 35 H GLY 35 -7.775 6.196 -0.816 238 1HA GLY 35 2HA GLY 35 -6.958 7.786 -3.079 239 2HA GLY 35 1HA GLY 35 -6.189 6.295 -2.538 240 H SER 36 H SER 36 -6.426 4.539 -3.847 241 HA SER 36 HA SER 36 -8.873 4.219 -5.446 242 1HB SER 36 2HB SER 36 -7.143 3.828 -7.475 243 2HB SER 36 1HB SER 36 -7.914 5.380 -7.166 244 HG SER 36 HG SER 36 -6.087 6.118 -6.256 245 H ASP 37 H ASP 37 -7.286 2.680 -3.332 246 HA ASP 37 HA ASP 37 -5.967 0.448 -4.434 247 1HB ASP 37 2HB ASP 37 -7.162 -0.817 -2.433 248 2HB ASP 37 1HB ASP 37 -5.857 0.304 -2.133 249 H GLU 38 H GLU 38 -9.383 1.181 -4.315 250 HA GLU 38 HA GLU 38 -10.145 -1.508 -5.272 251 1HB GLU 38 2HB GLU 38 -12.457 -0.535 -5.273 252 2HB GLU 38 1HB GLU 38 -11.658 -0.416 -3.707 253 1HG GLU 38 2HG GLU 38 -11.679 1.844 -3.749 254 2HG GLU 38 1HG GLU 38 -11.092 1.898 -5.411 255 H GLN 39 H GLN 39 -8.750 -1.206 -7.257 256 HA GLN 39 HA GLN 39 -9.975 0.569 -9.295 257 1HB GLN 39 2HB GLN 39 -7.405 0.351 -8.677 258 2HB GLN 39 1HB GLN 39 -7.524 -0.991 -9.802 259 1HG GLN 39 2HG GLN 39 -8.765 1.587 -10.623 260 2HG GLN 39 1HG GLN 39 -7.004 1.493 -10.646 261 1HE2 GLN 39 2HE2 GLN 39 -8.430 0.272 -13.935 262 2HE2 GLN 39 1HE2 GLN 39 -8.658 1.697 -13.043 263 H GLY 40 H GLY 40 -9.050 -2.805 -8.694 264 1HA GLY 40 2HA GLY 40 -11.141 -4.141 -9.812 265 2HA GLY 40 1HA GLY 40 -10.217 -3.691 -11.244 266 H CYS 41 HN CYS 41 -10.665 -6.165 -9.133 267 HA CYS 41 HA CYS 41 -7.832 -7.042 -9.053 268 1HB CYS 41 2HB CYS 41 -9.399 -7.275 -7.062 269 2HB CYS 41 1HB CYS 41 -10.259 -8.504 -7.984 No H/Q in entry = 269 Start of MODEL 8 Raw file had 276 H/Q atoms Start of MODEL 8 1 1H LEU 1 2H LEU 1 14.465 -5.363 4.170 2 2H LEU 1 1H LEU 1 15.194 -4.367 5.336 3 3H LEU 1 3H LEU 1 13.737 -5.159 5.692 4 HA LEU 1 HA LEU 1 12.478 -3.775 4.347 5 1HB LEU 1 2HB LEU 1 14.748 -2.165 5.548 6 2HB LEU 1 1HB LEU 1 13.248 -1.458 4.947 7 HG LEU 1 HG LEU 1 12.177 -3.324 6.532 8 1HD1 LEU 1 3HD1 LEU 1 15.014 -3.045 7.378 9 2HD1 LEU 1 2HD1 LEU 1 13.811 -3.026 8.667 10 3HD1 LEU 1 1HD1 LEU 1 13.909 -4.406 7.574 11 1HD2 LEU 1 3HD2 LEU 1 13.257 -0.593 7.235 12 2HD2 LEU 1 2HD2 LEU 1 11.599 -1.047 6.843 13 3HD2 LEU 1 1HD2 LEU 1 12.303 -1.526 8.388 14 H SER 2 H SER 2 15.925 -3.088 3.710 15 HA SER 2 HA SER 2 17.021 -2.417 1.762 16 1HB SER 2 2HB SER 2 16.520 -3.646 -0.174 17 2HB SER 2 1HB SER 2 15.920 -4.681 1.115 18 HG SER 2 HG SER 2 14.547 -3.989 -0.873 19 H VAL 3 H VAL 3 16.509 -1.318 -0.514 20 HA VAL 3 HA VAL 3 15.231 1.169 0.085 21 HB VAL 3 HB VAL 3 17.173 0.948 -1.434 22 1HG1 VAL 3 3HG1 VAL 3 15.625 -1.110 -2.589 23 2HG1 VAL 3 2HG1 VAL 3 15.728 0.150 -3.817 24 3HG1 VAL 3 1HG1 VAL 3 17.201 -0.530 -3.128 25 1HG2 VAL 3 1HG2 VAL 3 15.527 2.867 -1.593 26 2HG2 VAL 3 3HG2 VAL 3 16.435 2.551 -3.071 27 3HG2 VAL 3 2HG2 VAL 3 14.763 2.011 -2.931 28 H THR 4 H THR 4 13.477 2.112 -1.328 29 HA THR 4 HA THR 4 11.268 2.087 -2.065 30 HB THR 4 HB THR 4 10.722 0.610 -3.832 31 HG1 THR 4 HG1 THR 4 11.080 -1.417 -3.579 32 1HG2 THR 4 2HG2 THR 4 12.797 2.073 -4.151 33 2HG2 THR 4 1HG2 THR 4 13.741 0.601 -3.920 34 3HG2 THR 4 3HG2 THR 4 12.611 0.720 -5.268 35 H CYS 5 H CYS 5 9.382 0.102 -2.341 36 HA CYS 5 HA CYS 5 8.955 -0.662 0.478 37 1HB CYS 5 2HB CYS 5 7.275 -0.137 -1.865 38 2HB CYS 5 1HB CYS 5 6.693 -1.432 -0.830 39 H LYS 6 H LYS 6 10.828 -2.144 -1.438 40 HA LYS 6 HA LYS 6 11.399 -4.368 -1.879 41 1HB LYS 6 2HB LYS 6 9.525 -4.578 0.452 42 2HB LYS 6 1HB LYS 6 10.000 -6.054 -0.383 43 1HG LYS 6 2HG LYS 6 12.361 -4.480 -0.017 44 2HG LYS 6 1HG LYS 6 11.504 -4.519 1.524 45 1HD LYS 6 2HD LYS 6 11.958 -7.032 -0.086 46 2HD LYS 6 1HD LYS 6 13.166 -6.436 1.051 47 1HE LYS 6 2HE LYS 6 12.029 -7.515 2.674 48 2HE LYS 6 1HE LYS 6 10.747 -6.322 2.469 49 1HZ LYS 6 2HZ LYS 6 10.062 -7.848 0.513 50 2HZ LYS 6 1HZ LYS 6 10.965 -9.028 1.339 51 3HZ LYS 6 3HZ LYS 6 9.643 -8.286 2.101 52 H SER 7 H SER 7 10.252 -6.591 -2.504 53 HA SER 7 HA SER 7 8.250 -5.875 -4.556 54 1HB SER 7 2HB SER 7 10.101 -8.159 -4.064 55 2HB SER 7 1HB SER 7 8.618 -8.505 -4.950 56 HG SER 7 HG SER 7 10.031 -7.854 -6.479 57 H GLY 8 H GLY 8 6.357 -7.377 -4.864 58 1HA GLY 8 2HA GLY 8 4.631 -8.794 -4.011 59 2HA GLY 8 1HA GLY 8 5.418 -8.768 -2.436 60 H ASP 9 H ASP 9 5.383 -5.593 -3.295 61 HA ASP 9 HA ASP 9 2.924 -5.089 -1.726 62 1HB ASP 9 2HB ASP 9 4.863 -3.002 -2.705 63 2HB ASP 9 1HB ASP 9 3.806 -2.947 -1.304 64 H PHE 10 H PHE 10 2.337 -2.538 -2.684 65 HA PHE 10 HA PHE 10 2.169 -2.397 -5.513 66 1HB PHE 10 2HB PHE 10 0.178 -3.395 -6.057 67 2HB PHE 10 1HB PHE 10 0.432 -4.292 -4.570 68 HD1 PHE 10 HD2 PHE 10 -1.361 -1.431 -6.106 69 HD2 PHE 10 HD1 PHE 10 -0.988 -3.909 -2.613 70 HE1 PHE 10 HE2 PHE 10 -3.487 -0.492 -5.223 71 HE2 PHE 10 HE1 PHE 10 -3.114 -2.970 -1.739 72 HZ PHE 10 HZ PHE 10 -4.363 -1.296 -3.032 73 H SER 11 H SER 11 1.708 -0.277 -6.066 74 HA SER 11 HA SER 11 1.124 1.603 -3.901 75 1HB SER 11 2HB SER 11 2.546 2.527 -5.540 76 2HB SER 11 1HB SER 11 1.611 1.848 -6.868 77 HG SER 11 HG SER 11 0.108 3.397 -6.614 78 H CYS 12 H CYS 12 -0.910 2.529 -3.501 79 HA CYS 12 HA CYS 12 -3.272 1.169 -4.036 80 1HB CYS 12 2HB CYS 12 -3.081 4.157 -3.801 81 2HB CYS 12 1HB CYS 12 -4.471 3.169 -3.427 82 H GLY 13 H GLY 13 -2.275 4.147 -5.756 83 1HA GLY 13 2HA GLY 13 -2.775 3.269 -8.379 84 2HA GLY 13 1HA GLY 13 -4.296 3.929 -7.784 85 H GLY 14 H GLY 14 -0.839 4.794 -7.789 86 1HA GLY 14 2HA GLY 14 -0.130 6.841 -9.007 87 2HA GLY 14 1HA GLY 14 -1.649 7.582 -8.501 88 H ARG 15 H ARG 15 0.706 5.678 -6.618 89 HA ARG 15 HA ARG 15 1.678 8.014 -5.172 90 1HB ARG 15 2HB ARG 15 -0.612 6.468 -4.154 91 2HB ARG 15 1HB ARG 15 0.709 6.608 -2.995 92 1HG ARG 15 2HG ARG 15 0.663 9.152 -3.789 93 2HG ARG 15 1HG ARG 15 -1.011 8.750 -4.177 94 1HD ARG 15 2HD ARG 15 -1.547 8.263 -1.947 95 2HD ARG 15 1HD ARG 15 0.137 7.992 -1.502 96 HE ARG 15 HE ARG 15 -0.853 10.732 -2.177 97 1HH1 ARG 15 2HH1 ARG 15 -0.413 8.776 0.479 98 2HH1 ARG 15 1HH1 ARG 15 0.696 9.820 1.302 99 1HH2 ARG 15 1HH2 ARG 15 1.099 11.961 -1.396 100 2HH2 ARG 15 2HH2 ARG 15 1.555 11.621 0.240 101 H VAL 16 H VAL 16 3.550 6.791 -6.152 102 HA VAL 16 HA VAL 16 4.311 4.194 -5.347 103 HB VAL 16 HB VAL 16 5.384 5.410 -7.205 104 1HG1 VAL 16 1HG1 VAL 16 5.389 7.614 -5.844 105 2HG1 VAL 16 3HG1 VAL 16 6.901 7.021 -5.158 106 3HG1 VAL 16 2HG1 VAL 16 6.768 7.293 -6.896 107 1HG2 VAL 16 3HG2 VAL 16 6.593 3.550 -6.059 108 2HG2 VAL 16 2HG2 VAL 16 7.691 4.750 -6.741 109 3HG2 VAL 16 1HG2 VAL 16 7.366 4.738 -5.008 110 H ASN 17 H ASN 17 4.488 7.245 -3.656 111 HA ASN 17 HA ASN 17 6.487 6.590 -1.727 112 1HB ASN 17 2HB ASN 17 5.302 8.859 -2.220 113 2HB ASN 17 1HB ASN 17 4.089 8.292 -1.073 114 1HD2 ASN 17 2HD2 ASN 17 6.063 9.251 1.666 115 2HD2 ASN 17 1HD2 ASN 17 4.517 9.008 1.011 116 H ARG 18 H ARG 18 2.992 5.951 -1.812 117 HA ARG 18 HA ARG 18 3.273 4.450 0.757 118 1HB ARG 18 2HB ARG 18 1.519 6.265 0.587 119 2HB ARG 18 1HB ARG 18 0.708 5.275 -0.627 120 1HG ARG 18 2HG ARG 18 1.004 3.400 1.253 121 2HG ARG 18 1HG ARG 18 1.001 4.813 2.307 122 1HD ARG 18 2HD ARG 18 -1.112 4.336 0.195 123 2HD ARG 18 1HD ARG 18 -1.280 3.789 1.862 124 HE ARG 18 HE ARG 18 -1.447 6.567 0.937 125 1HH1 ARG 18 1HH2 ARG 18 0.500 6.505 3.223 126 2HH1 ARG 18 2HH2 ARG 18 -0.544 6.700 4.589 127 1HH2 ARG 18 2HH1 ARG 18 -3.428 5.909 2.835 128 2HH2 ARG 18 1HH1 ARG 18 -2.768 6.361 4.371 129 H CYS 19 H CYS 19 3.198 2.256 0.680 130 HA CYS 19 HA CYS 19 2.153 0.973 -1.801 131 1HB CYS 19 2HB CYS 19 3.821 -0.815 -1.322 132 2HB CYS 19 1HB CYS 19 4.576 0.738 -1.639 133 H ILE 20 H ILE 20 1.480 -1.367 -1.350 134 HA ILE 20 HA ILE 20 0.564 -1.917 1.405 135 HB ILE 20 HB ILE 20 -1.648 -2.653 -0.268 136 1HG1 ILE 20 2HG1 ILE 20 -0.795 0.242 -0.625 137 2HG1 ILE 20 1HG1 ILE 20 -1.111 -0.942 -1.883 138 1HG2 ILE 20 3HG2 ILE 20 -1.361 -1.904 2.244 139 2HG2 ILE 20 2HG2 ILE 20 -1.763 -0.314 1.594 140 3HG2 ILE 20 1HG2 ILE 20 -2.891 -1.657 1.401 141 1HD1 ILE 20 3HD1 ILE 20 -3.500 -1.074 -0.854 142 2HD1 ILE 20 2HD1 ILE 20 -3.085 0.464 -0.099 143 3HD1 ILE 20 1HD1 ILE 20 -3.095 0.320 -1.857 144 HA PRO 21 HA PRO 21 1.502 -6.035 0.146 145 1HB PRO 21 2HB PRO 21 -0.469 -7.560 1.318 146 2HB PRO 21 1HB PRO 21 0.873 -6.846 2.212 147 1HG PRO 21 2HG PRO 21 -1.947 -5.976 2.090 148 2HG PRO 21 1HG PRO 21 -0.794 -5.790 3.406 149 1HD PRO 21 2HD PRO 21 -1.575 -3.787 1.627 150 2HD PRO 21 1HD PRO 21 -0.122 -3.755 2.630 151 H GLN 22 H GLN 22 0.754 -7.918 -1.161 152 HA GLN 22 HA GLN 22 -0.837 -7.139 -3.402 153 1HB GLN 22 2HB GLN 22 0.719 -9.416 -2.598 154 2HB GLN 22 1HB GLN 22 -0.787 -9.946 -3.333 155 1HG GLN 22 2HG GLN 22 -0.277 -8.281 -5.213 156 2HG GLN 22 1HG GLN 22 1.346 -8.172 -4.531 157 1HE2 GLN 22 2HE2 GLN 22 2.185 -10.932 -6.579 158 2HE2 GLN 22 1HE2 GLN 22 2.467 -9.298 -6.217 159 H PHE 23 H PHE 23 -1.622 -8.671 -0.359 160 HA PHE 23 HA PHE 23 -4.179 -9.726 -1.149 161 1HB PHE 23 2HB PHE 23 -2.772 -10.305 0.928 162 2HB PHE 23 1HB PHE 23 -3.508 -8.869 1.620 163 HD1 PHE 23 HD1 PHE 23 -6.071 -8.673 1.591 164 HD2 PHE 23 HD2 PHE 23 -3.966 -12.346 0.864 165 HE1 PHE 23 HE1 PHE 23 -8.138 -9.954 2.077 166 HE2 PHE 23 HE2 PHE 23 -6.034 -13.627 1.349 167 HZ PHE 23 HZ PHE 23 -8.120 -12.430 1.954 168 H TRP 24 H TRP 24 -3.081 -6.580 0.010 169 HA TRP 24 HA TRP 24 -5.804 -5.609 0.420 170 1HB TRP 24 2HB TRP 24 -3.081 -4.445 0.598 171 2HB TRP 24 1HB TRP 24 -4.457 -3.360 0.547 172 HD1 TRP 24 HD1 TRP 24 -3.792 -6.722 2.337 173 HE1 TRP 24 HE1 TRP 24 -4.507 -6.505 4.799 174 HE3 TRP 24 HE3 TRP 24 -5.250 -1.790 2.436 175 HZ2 TRP 24 HZ2 TRP 24 -5.556 -4.547 6.570 176 HZ3 TRP 24 HZ3 TRP 24 -6.124 -0.820 4.541 177 HH2 TRP 24 HH2 TRP 24 -6.261 -2.173 6.601 178 H ARG 25 H ARG 25 -4.200 -6.335 -2.371 179 HA ARG 25 HA ARG 25 -4.838 -3.956 -3.941 180 1HB ARG 25 2HB ARG 25 -2.993 -5.472 -4.606 181 2HB ARG 25 1HB ARG 25 -4.139 -6.798 -4.787 182 1HG ARG 25 2HG ARG 25 -3.864 -6.009 -6.992 183 2HG ARG 25 1HG ARG 25 -5.357 -5.232 -6.470 184 1HD ARG 25 2HD ARG 25 -4.309 -3.148 -6.156 185 2HD ARG 25 1HD ARG 25 -2.702 -3.871 -6.075 186 HE ARG 25 HE ARG 25 -2.980 -4.351 -8.554 187 1HH1 ARG 25 2HH1 ARG 25 -5.355 -3.749 -9.656 188 2HH1 ARG 25 1HH1 ARG 25 -5.427 -2.036 -9.897 189 1HH2 ARG 25 1HH2 ARG 25 -2.843 -1.348 -7.693 190 2HH2 ARG 25 2HH2 ARG 25 -4.007 -0.678 -8.786 191 H CYS 26 H CYS 26 -6.702 -3.641 -5.129 192 HA CYS 26 HA CYS 26 -8.802 -4.071 -6.108 193 1HB CYS 26 2HB CYS 26 -7.963 -6.602 -6.123 194 2HB CYS 26 1HB CYS 26 -9.121 -6.745 -4.800 195 H ASP 27 H ASP 27 -8.435 -5.428 -2.810 196 HA ASP 27 HA ASP 27 -10.937 -4.081 -2.017 197 1HB ASP 27 2HB ASP 27 -9.163 -6.135 -0.759 198 2HB ASP 27 1HB ASP 27 -10.362 -5.281 0.196 199 H GLY 28 H GLY 28 -7.914 -4.603 -0.251 200 1HA GLY 28 2HA GLY 28 -6.376 -3.092 0.663 201 2HA GLY 28 1HA GLY 28 -7.087 -1.844 -0.359 202 H GLN 29 H GLN 29 -9.658 -3.100 1.348 203 HA GLN 29 HA GLN 29 -10.945 -2.050 3.036 204 1HB GLN 29 2HB GLN 29 -8.257 -1.594 4.384 205 2HB GLN 29 1HB GLN 29 -9.819 -1.778 5.161 206 1HG GLN 29 2HG GLN 29 -9.582 -4.080 3.666 207 2HG GLN 29 1HG GLN 29 -7.948 -3.785 4.244 208 1HE2 GLN 29 2HE2 GLN 29 -10.836 -4.191 7.154 209 2HE2 GLN 29 1HE2 GLN 29 -11.219 -3.364 5.722 210 H VAL 30 H VAL 30 -8.646 0.223 4.239 211 HA VAL 30 HA VAL 30 -8.877 2.007 2.010 212 HB VAL 30 HB VAL 30 -10.478 2.407 4.509 213 1HG1 VAL 30 1HG1 VAL 30 -9.083 4.518 2.914 214 2HG1 VAL 30 3HG1 VAL 30 -10.775 4.817 3.310 215 3HG1 VAL 30 2HG1 VAL 30 -9.601 4.553 4.599 216 1HG2 VAL 30 1HG2 VAL 30 -10.810 2.431 1.527 217 2HG2 VAL 30 3HG2 VAL 30 -11.735 1.552 2.743 218 3HG2 VAL 30 2HG2 VAL 30 -11.980 3.286 2.533 219 H ASP 31 H ASP 31 -6.633 1.327 2.380 220 HA ASP 31 HA ASP 31 -5.231 2.796 4.541 221 1HB ASP 31 2HB ASP 31 -4.740 0.372 4.171 222 2HB ASP 31 1HB ASP 31 -4.161 0.793 2.579 223 H CYS 32 H CYS 32 -6.438 3.949 1.945 224 HA CYS 32 HA CYS 32 -3.906 5.241 1.014 225 1HB CYS 32 2HB CYS 32 -6.226 4.462 -0.771 226 2HB CYS 32 1HB CYS 32 -4.675 5.127 -1.283 227 H ASP 33 H ASP 33 -5.055 7.043 -0.772 228 HA ASP 33 HA ASP 33 -6.056 9.060 1.021 229 1HB ASP 33 2HB ASP 33 -5.550 8.850 -1.913 230 2HB ASP 33 1HB ASP 33 -6.623 10.138 -1.362 231 H ASN 34 H ASN 34 -7.766 8.199 -1.985 232 HA ASN 34 HA ASN 34 -10.304 8.255 -0.415 233 1HB ASN 34 2HB ASN 34 -11.379 8.663 -2.643 234 2HB ASN 34 1HB ASN 34 -10.231 9.921 -2.184 235 1HD2 ASN 34 2HD2 ASN 34 -8.495 9.473 -5.205 236 2HD2 ASN 34 1HD2 ASN 34 -9.134 10.543 -4.051 237 H GLY 35 H GLY 35 -8.463 5.917 -0.707 238 1HA GLY 35 2HA GLY 35 -8.983 3.594 -0.733 239 2HA GLY 35 1HA GLY 35 -10.516 3.971 -1.519 240 H SER 36 H SER 36 -7.242 4.935 -2.535 241 HA SER 36 HA SER 36 -7.763 4.198 -5.273 242 1HB SER 36 2HB SER 36 -5.092 4.374 -5.284 243 2HB SER 36 1HB SER 36 -6.121 5.801 -5.236 244 HG SER 36 HG SER 36 -4.429 5.721 -3.613 245 H ASP 37 H ASP 37 -6.585 2.416 -2.516 246 HA ASP 37 HA ASP 37 -5.085 0.374 -3.718 247 1HB ASP 37 2HB ASP 37 -6.022 -1.069 -1.827 248 2HB ASP 37 1HB ASP 37 -5.237 0.408 -1.337 249 H GLU 38 H GLU 38 -8.507 1.016 -3.860 250 HA GLU 38 HA GLU 38 -8.916 -1.524 -5.385 251 1HB GLU 38 2HB GLU 38 -11.337 -1.235 -4.800 252 2HB GLU 38 1HB GLU 38 -10.311 -1.450 -3.382 253 1HG GLU 38 2HG GLU 38 -10.470 0.801 -2.762 254 2HG GLU 38 1HG GLU 38 -10.914 1.320 -4.389 255 H GLN 39 H GLN 39 -7.756 0.550 -6.751 256 HA GLN 39 HA GLN 39 -9.847 2.130 -8.086 257 1HB GLN 39 2HB GLN 39 -7.365 2.779 -7.410 258 2HB GLN 39 1HB GLN 39 -7.038 2.101 -8.992 259 1HG GLN 39 2HG GLN 39 -9.061 4.277 -8.430 260 2HG GLN 39 1HG GLN 39 -7.451 4.551 -9.093 261 1HE2 GLN 39 2HE2 GLN 39 -8.276 3.106 -12.302 262 2HE2 GLN 39 1HE2 GLN 39 -6.988 3.279 -11.210 263 H GLY 40 H GLY 40 -11.008 0.983 -9.589 264 1HA GLY 40 2HA GLY 40 -11.187 0.129 -11.836 265 2HA GLY 40 1HA GLY 40 -9.484 -0.330 -11.769 266 H CYS 41 HN CYS 41 -9.043 -2.042 -9.958 267 HA CYS 41 HA CYS 41 -10.431 -4.434 -10.613 268 1HB CYS 41 2HB CYS 41 -8.134 -4.284 -9.594 269 2HB CYS 41 1HB CYS 41 -8.898 -3.885 -8.058 No H/Q in entry = 269 Start of MODEL 9 Raw file had 276 H/Q atoms Start of MODEL 9 1 1H LEU 1 1H LEU 1 10.587 2.332 11.176 2 2H LEU 1 3H LEU 1 9.640 3.266 12.227 3 3H LEU 1 2H LEU 1 11.020 2.467 12.813 4 HA LEU 1 HA LEU 1 10.001 0.323 12.376 5 1HB LEU 1 2HB LEU 1 9.690 1.508 14.573 6 2HB LEU 1 1HB LEU 1 8.165 2.147 13.960 7 HG LEU 1 HG LEU 1 7.772 -0.451 13.404 8 1HD1 LEU 1 1HD1 LEU 1 9.733 -0.346 15.703 9 2HD1 LEU 1 3HD1 LEU 1 8.621 -1.697 15.482 10 3HD1 LEU 1 2HD1 LEU 1 9.821 -1.331 14.242 11 1HD2 LEU 1 2HD2 LEU 1 6.370 1.094 14.815 12 2HD2 LEU 1 1HD2 LEU 1 6.439 -0.557 15.433 13 3HD2 LEU 1 3HD2 LEU 1 7.411 0.707 16.186 14 H SER 2 H SER 2 9.449 0.999 9.922 15 HA SER 2 HA SER 2 6.521 0.567 9.662 16 1HB SER 2 2HB SER 2 6.755 2.234 7.619 17 2HB SER 2 1HB SER 2 6.443 2.845 9.240 18 HG SER 2 HG SER 2 8.369 3.588 7.763 19 H VAL 3 H VAL 3 9.092 -1.003 9.240 20 HA VAL 3 HA VAL 3 9.567 -1.339 6.465 21 HB VAL 3 HB VAL 3 11.092 -2.186 8.207 22 1HG1 VAL 3 3HG1 VAL 3 8.880 -3.056 9.499 23 2HG1 VAL 3 2HG1 VAL 3 9.392 -4.563 8.738 24 3HG1 VAL 3 1HG1 VAL 3 10.492 -3.702 9.814 25 1HG2 VAL 3 2HG2 VAL 3 11.058 -3.221 5.924 26 2HG2 VAL 3 1HG2 VAL 3 11.601 -4.332 7.180 27 3HG2 VAL 3 3HG2 VAL 3 9.962 -4.456 6.541 28 H THR 4 H THR 4 8.285 -2.241 4.923 29 HA THR 4 HA THR 4 6.520 -4.494 5.530 30 HB THR 4 HB THR 4 4.559 -3.053 4.456 31 HG1 THR 4 HG1 THR 4 5.696 -1.162 4.219 32 1HG2 THR 4 3HG2 THR 4 4.837 -4.161 6.800 33 2HG2 THR 4 2HG2 THR 4 5.195 -2.524 7.349 34 3HG2 THR 4 1HG2 THR 4 3.637 -2.885 6.605 35 H CYS 5 H CYS 5 5.011 -4.695 3.348 36 HA CYS 5 HA CYS 5 5.085 -5.245 1.074 37 1HB CYS 5 2HB CYS 5 6.859 -2.834 1.024 38 2HB CYS 5 1HB CYS 5 6.224 -3.616 -0.413 39 H LYS 6 H LYS 6 6.243 -7.236 1.624 40 HA LYS 6 HA LYS 6 9.075 -7.168 0.664 41 1HB LYS 6 2HB LYS 6 9.476 -9.090 2.283 42 2HB LYS 6 1HB LYS 6 9.230 -7.512 3.032 43 1HG LYS 6 2HG LYS 6 7.268 -8.138 4.001 44 2HG LYS 6 1HG LYS 6 6.747 -9.050 2.587 45 1HD LYS 6 2HD LYS 6 7.641 -11.004 3.352 46 2HD LYS 6 1HD LYS 6 9.052 -10.204 4.043 47 1HE LYS 6 2HE LYS 6 7.020 -9.255 5.644 48 2HE LYS 6 1HE LYS 6 6.487 -10.902 5.309 49 1HZ LYS 6 1HZ LYS 6 9.231 -10.240 6.211 50 2HZ LYS 6 3HZ LYS 6 7.977 -10.635 7.281 51 3HZ LYS 6 2HZ LYS 6 8.503 -11.773 6.135 52 H SER 7 H SER 7 8.560 -7.921 -1.407 53 HA SER 7 HA SER 7 8.120 -9.531 -3.051 54 1HB SER 7 2HB SER 7 9.409 -10.889 -1.103 55 2HB SER 7 1HB SER 7 7.865 -11.736 -1.070 56 HG SER 7 HG SER 7 9.859 -11.833 -2.898 57 H GLY 8 H GLY 8 6.119 -9.326 -3.902 58 1HA GLY 8 2HA GLY 8 3.888 -10.163 -4.245 59 2HA GLY 8 1HA GLY 8 3.863 -10.714 -2.569 60 H ASP 9 H ASP 9 4.997 -7.497 -3.334 61 HA ASP 9 HA ASP 9 2.888 -6.322 -1.675 62 1HB ASP 9 2HB ASP 9 4.753 -4.654 -3.325 63 2HB ASP 9 1HB ASP 9 4.157 -4.379 -1.694 64 H PHE 10 H PHE 10 2.361 -3.933 -2.899 65 HA PHE 10 HA PHE 10 1.702 -4.205 -5.667 66 1HB PHE 10 2HB PHE 10 -0.349 -5.137 -5.626 67 2HB PHE 10 1HB PHE 10 -0.096 -5.480 -3.929 68 HD1 PHE 10 HD2 PHE 10 -1.305 -2.700 -6.183 69 HD2 PHE 10 HD1 PHE 10 -1.625 -4.656 -2.371 70 HE1 PHE 10 HE2 PHE 10 -3.279 -1.279 -5.623 71 HE2 PHE 10 HE1 PHE 10 -3.593 -3.251 -1.825 72 HZ PHE 10 HZ PHE 10 -4.427 -1.595 -3.418 73 H SER 11 H SER 11 2.272 -2.199 -6.211 74 HA SER 11 HA SER 11 2.135 0.079 -4.488 75 1HB SER 11 2HB SER 11 2.028 0.412 -7.461 76 2HB SER 11 1HB SER 11 2.992 1.287 -6.274 77 HG SER 11 HG SER 11 4.359 -0.092 -7.336 78 H CYS 12 H CYS 12 0.212 0.756 -3.710 79 HA CYS 12 HA CYS 12 -2.350 0.338 -4.703 80 1HB CYS 12 2HB CYS 12 -1.734 1.308 -2.490 81 2HB CYS 12 1HB CYS 12 -1.465 2.834 -3.306 82 H GLY 13 H GLY 13 -0.466 3.355 -5.184 83 1HA GLY 13 2HA GLY 13 -0.383 4.124 -7.624 84 2HA GLY 13 1HA GLY 13 -2.129 3.875 -7.618 85 H GLY 14 H GLY 14 -1.426 6.351 -8.296 86 1HA GLY 14 2HA GLY 14 -2.159 8.532 -7.684 87 2HA GLY 14 1HA GLY 14 -2.376 7.966 -6.027 88 H ARG 15 H ARG 15 -1.239 10.133 -5.654 89 HA ARG 15 HA ARG 15 1.581 10.357 -6.281 90 1HB ARG 15 2HB ARG 15 1.520 12.229 -4.610 91 2HB ARG 15 1HB ARG 15 0.281 12.369 -5.856 92 1HG ARG 15 2HG ARG 15 -1.440 11.690 -4.398 93 2HG ARG 15 1HG ARG 15 -0.309 10.974 -3.250 94 1HD ARG 15 2HD ARG 15 -0.023 12.935 -2.165 95 2HD ARG 15 1HD ARG 15 0.198 13.827 -3.670 96 HE ARG 15 HE ARG 15 -2.267 14.013 -3.820 97 1HH1 ARG 15 1HH2 ARG 15 -2.841 11.728 -1.896 98 2HH1 ARG 15 2HH2 ARG 15 -3.366 12.593 -0.491 99 1HH2 ARG 15 2HH1 ARG 15 -2.097 15.636 -1.568 100 2HH2 ARG 15 1HH1 ARG 15 -2.943 14.807 -0.304 101 H VAL 16 H VAL 16 2.926 10.935 -4.033 102 HA VAL 16 HA VAL 16 4.300 9.784 -2.555 103 HB VAL 16 HB VAL 16 2.577 10.936 -1.210 104 1HG1 VAL 16 1HG1 VAL 16 0.658 9.427 -1.974 105 2HG1 VAL 16 3HG1 VAL 16 1.268 8.238 -0.826 106 3HG1 VAL 16 2HG1 VAL 16 0.715 9.808 -0.261 107 1HG2 VAL 16 2HG2 VAL 16 3.608 8.306 -0.111 108 2HG2 VAL 16 1HG2 VAL 16 4.478 9.839 -0.135 109 3HG2 VAL 16 3HG2 VAL 16 3.041 9.656 0.871 110 H ASN 17 H ASN 17 5.100 8.031 -3.563 111 HA ASN 17 HA ASN 17 3.910 5.638 -4.317 112 1HB ASN 17 2HB ASN 17 6.555 6.586 -3.970 113 2HB ASN 17 1HB ASN 17 6.482 5.043 -3.121 114 1HD2 ASN 17 2HD2 ASN 17 6.766 3.300 -6.157 115 2HD2 ASN 17 1HD2 ASN 17 7.168 3.413 -4.511 116 H ARG 18 H ARG 18 2.369 4.762 -2.957 117 HA ARG 18 HA ARG 18 3.323 3.793 -0.289 118 1HB ARG 18 2HB ARG 18 1.528 5.530 -0.162 119 2HB ARG 18 1HB ARG 18 0.482 4.477 -1.114 120 1HG ARG 18 2HG ARG 18 1.028 2.698 0.727 121 2HG ARG 18 1HG ARG 18 1.487 4.098 1.695 122 1HD ARG 18 2HD ARG 18 -1.087 4.384 0.277 123 2HD ARG 18 1HD ARG 18 -1.065 3.126 1.513 124 HE ARG 18 HE ARG 18 -1.001 4.832 3.130 125 1HH1 ARG 18 2HH1 ARG 18 1.562 6.072 2.401 126 2HH1 ARG 18 1HH1 ARG 18 1.102 7.661 1.891 127 1HH2 ARG 18 1HH2 ARG 18 -2.239 6.845 1.465 128 2HH2 ARG 18 2HH2 ARG 18 -1.048 8.099 1.362 129 H CYS 19 H CYS 19 3.698 1.631 -0.478 130 HA CYS 19 HA CYS 19 2.143 0.043 -2.419 131 1HB CYS 19 2HB CYS 19 3.767 -1.743 -1.869 132 2HB CYS 19 1HB CYS 19 4.568 -0.269 -2.389 133 H ILE 20 H ILE 20 1.469 -2.193 -1.631 134 HA ILE 20 HA ILE 20 0.688 -2.335 1.214 135 HB ILE 20 HB ILE 20 -1.646 -3.143 -0.254 136 1HG1 ILE 20 2HG1 ILE 20 -0.640 -0.373 -0.997 137 2HG1 ILE 20 1HG1 ILE 20 -1.092 -1.673 -2.092 138 1HG2 ILE 20 3HG2 ILE 20 -1.087 -1.989 2.130 139 2HG2 ILE 20 2HG2 ILE 20 -1.694 -0.588 1.248 140 3HG2 ILE 20 1HG2 ILE 20 -2.703 -2.022 1.424 141 1HD1 ILE 20 1HD1 ILE 20 -3.431 -1.500 -0.915 142 2HD1 ILE 20 3HD1 ILE 20 -2.868 0.101 -0.433 143 3HD1 ILE 20 2HD1 ILE 20 -2.995 -0.311 -2.142 144 HA PRO 21 HA PRO 21 1.250 -6.644 0.432 145 1HB PRO 21 2HB PRO 21 -0.840 -7.892 1.719 146 2HB PRO 21 1HB PRO 21 0.533 -7.172 2.565 147 1HG PRO 21 2HG PRO 21 -2.233 -6.155 2.317 148 2HG PRO 21 1HG PRO 21 -1.053 -5.856 3.590 149 1HD PRO 21 2HD PRO 21 -1.749 -4.098 1.509 150 2HD PRO 21 1HD PRO 21 -0.346 -3.950 2.573 151 H GLN 22 H GLN 22 0.590 -8.410 -0.946 152 HA GLN 22 HA GLN 22 -1.090 -7.746 -3.139 153 1HB GLN 22 2HB GLN 22 0.513 -9.976 -2.304 154 2HB GLN 22 1HB GLN 22 -0.998 -10.551 -2.989 155 1HG GLN 22 2HG GLN 22 -0.421 -8.691 -4.825 156 2HG GLN 22 1HG GLN 22 1.222 -9.042 -4.287 157 1HE2 GLN 22 2HE2 GLN 22 -0.485 -11.578 -6.826 158 2HE2 GLN 22 1HE2 GLN 22 -0.995 -9.979 -6.577 159 H PHE 23 H PHE 23 -1.876 -8.971 0.002 160 HA PHE 23 HA PHE 23 -4.394 -10.193 -0.743 161 1HB PHE 23 2HB PHE 23 -2.907 -10.610 1.346 162 2HB PHE 23 1HB PHE 23 -3.762 -9.218 1.988 163 HD1 PHE 23 HD1 PHE 23 -4.604 -12.299 0.024 164 HD2 PHE 23 HD2 PHE 23 -5.650 -9.684 3.268 165 HE1 PHE 23 HE1 PHE 23 -6.554 -13.736 0.555 166 HE2 PHE 23 HE2 PHE 23 -7.600 -11.121 3.799 167 HZ PHE 23 HZ PHE 23 -8.052 -13.149 2.443 168 H TRP 24 H TRP 24 -3.371 -6.974 0.310 169 HA TRP 24 HA TRP 24 -6.061 -6.063 0.826 170 1HB TRP 24 2HB TRP 24 -3.388 -4.819 0.722 171 2HB TRP 24 1HB TRP 24 -4.762 -3.745 0.506 172 HD1 TRP 24 HD1 TRP 24 -4.084 -6.775 2.811 173 HE1 TRP 24 HE1 TRP 24 -4.829 -6.171 5.200 174 HE3 TRP 24 HE3 TRP 24 -5.554 -1.887 2.110 175 HZ2 TRP 24 HZ2 TRP 24 -5.904 -3.958 6.625 176 HZ3 TRP 24 HZ3 TRP 24 -6.452 -0.597 4.019 177 HH2 TRP 24 HH2 TRP 24 -6.615 -1.612 6.270 178 H ARG 25 H ARG 25 -4.553 -6.795 -2.107 179 HA ARG 25 HA ARG 25 -5.649 -4.614 -3.688 180 1HB ARG 25 2HB ARG 25 -4.114 -7.020 -4.191 181 2HB ARG 25 1HB ARG 25 -5.483 -6.971 -5.299 182 1HG ARG 25 2HG ARG 25 -3.544 -4.691 -4.858 183 2HG ARG 25 1HG ARG 25 -3.480 -5.807 -6.217 184 1HD ARG 25 2HD ARG 25 -5.862 -4.052 -5.548 185 2HD ARG 25 1HD ARG 25 -4.642 -3.656 -6.757 186 HE ARG 25 HE ARG 25 -6.635 -5.847 -6.969 187 1HH1 ARG 25 2HH1 ARG 25 -5.380 -7.311 -8.601 188 2HH1 ARG 25 1HH1 ARG 25 -4.958 -6.461 -10.050 189 1HH2 ARG 25 1HH2 ARG 25 -5.494 -3.322 -8.677 190 2HH2 ARG 25 2HH2 ARG 25 -5.022 -4.201 -10.092 191 H CYS 26 H CYS 26 -7.750 -4.413 -4.374 192 HA CYS 26 HA CYS 26 -9.969 -5.032 -4.965 193 1HB CYS 26 2HB CYS 26 -9.128 -7.441 -5.324 194 2HB CYS 26 1HB CYS 26 -9.578 -7.729 -3.644 195 H ASP 27 H ASP 27 -8.774 -6.286 -1.849 196 HA ASP 27 HA ASP 27 -11.099 -5.042 -0.493 197 1HB ASP 27 2HB ASP 27 -9.310 -7.321 0.101 198 2HB ASP 27 1HB ASP 27 -9.897 -6.396 1.475 199 H GLY 28 H GLY 28 -8.984 -3.505 -1.592 200 1HA GLY 28 2HA GLY 28 -6.828 -2.843 0.071 201 2HA GLY 28 1HA GLY 28 -7.620 -1.692 -1.015 202 H GLN 29 H GLN 29 -10.219 -2.156 0.534 203 HA GLN 29 HA GLN 29 -11.306 -0.965 2.264 204 1HB GLN 29 2HB GLN 29 -8.633 -0.964 3.718 205 2HB GLN 29 1HB GLN 29 -10.241 -0.930 4.422 206 1HG GLN 29 2HG GLN 29 -10.327 -3.235 2.961 207 2HG GLN 29 1HG GLN 29 -8.652 -3.186 3.493 208 1HE2 GLN 29 2HE2 GLN 29 -9.573 -4.435 6.645 209 2HE2 GLN 29 1HE2 GLN 29 -8.485 -4.470 5.343 210 H VAL 30 H VAL 30 -8.877 0.946 3.648 211 HA VAL 30 HA VAL 30 -8.601 2.627 1.299 212 HB VAL 30 HB VAL 30 -10.140 3.469 3.740 213 1HG1 VAL 30 3HG1 VAL 30 -8.560 5.119 1.798 214 2HG1 VAL 30 2HG1 VAL 30 -10.174 5.693 2.213 215 3HG1 VAL 30 1HG1 VAL 30 -8.968 5.466 3.479 216 1HG2 VAL 30 2HG2 VAL 30 -10.542 3.197 0.767 217 2HG2 VAL 30 1HG2 VAL 30 -11.466 2.450 2.070 218 3HG2 VAL 30 3HG2 VAL 30 -11.635 4.175 1.746 219 H ASP 31 H ASP 31 -6.611 1.321 2.167 220 HA ASP 31 HA ASP 31 -5.030 2.679 4.206 221 1HB ASP 31 2HB ASP 31 -4.707 0.286 3.763 222 2HB ASP 31 1HB ASP 31 -4.278 0.654 2.113 223 H CYS 32 H CYS 32 -5.899 3.357 1.001 224 HA CYS 32 HA CYS 32 -3.384 4.784 0.381 225 1HB CYS 32 2HB CYS 32 -5.816 4.189 -1.350 226 2HB CYS 32 1HB CYS 32 -4.268 4.823 -1.907 227 H ASP 33 H ASP 33 -6.467 5.432 1.701 228 HA ASP 33 HA ASP 33 -7.620 7.430 2.112 229 1HB ASP 33 2HB ASP 33 -4.822 8.480 1.608 230 2HB ASP 33 1HB ASP 33 -6.154 9.500 2.154 231 H ASN 34 H ASN 34 -8.932 7.184 0.196 232 HA ASN 34 HA ASN 34 -9.833 7.924 -1.835 233 1HB ASN 34 2HB ASN 34 -7.974 10.243 -1.460 234 2HB ASN 34 1HB ASN 34 -9.388 10.211 -2.498 235 1HD2 ASN 34 2HD2 ASN 34 -10.218 11.721 0.894 236 2HD2 ASN 34 1HD2 ASN 34 -8.977 12.048 -0.217 237 H GLY 35 H GLY 35 -7.269 6.321 -1.715 238 1HA GLY 35 2HA GLY 35 -5.830 7.202 -4.135 239 2HA GLY 35 1HA GLY 35 -5.408 5.823 -3.124 240 H SER 36 H SER 36 -5.839 3.847 -4.016 241 HA SER 36 HA SER 36 -8.307 3.420 -5.521 242 1HB SER 36 2HB SER 36 -7.008 2.620 -7.575 243 2HB SER 36 1HB SER 36 -7.120 4.361 -7.339 244 HG SER 36 HG SER 36 -4.945 2.657 -7.158 245 H ASP 37 H ASP 37 -6.423 2.153 -3.252 246 HA ASP 37 HA ASP 37 -5.648 -0.415 -4.210 247 1HB ASP 37 2HB ASP 37 -5.974 -1.139 -1.785 248 2HB ASP 37 1HB ASP 37 -4.884 0.179 -2.057 249 H GLU 38 H GLU 38 -8.797 0.900 -3.570 250 HA GLU 38 HA GLU 38 -9.984 -1.794 -4.086 251 1HB GLU 38 2HB GLU 38 -10.246 -0.466 -1.720 252 2HB GLU 38 1HB GLU 38 -11.628 0.180 -2.603 253 1HG GLU 38 2HG GLU 38 -11.934 -2.408 -3.232 254 2HG GLU 38 1HG GLU 38 -11.096 -2.609 -1.694 255 H GLN 39 H GLN 39 -9.312 0.018 -6.134 256 HA GLN 39 HA GLN 39 -11.785 1.456 -6.857 257 1HB GLN 39 2HB GLN 39 -9.370 2.309 -7.216 258 2HB GLN 39 1HB GLN 39 -9.374 1.205 -8.581 259 1HG GLN 39 2HG GLN 39 -11.001 2.389 -9.736 260 2HG GLN 39 1HG GLN 39 -11.678 3.081 -8.261 261 1HE2 GLN 39 2HE2 GLN 39 -9.923 6.057 -8.944 262 2HE2 GLN 39 1HE2 GLN 39 -11.410 5.319 -8.593 263 H GLY 40 H GLY 40 -9.714 -1.120 -8.186 264 1HA GLY 40 2HA GLY 40 -12.132 -2.260 -9.498 265 2HA GLY 40 1HA GLY 40 -10.688 -1.981 -10.473 266 H CYS 41 HN CYS 41 -12.264 -4.409 -9.073 267 HA CYS 41 HA CYS 41 -10.105 -5.746 -7.636 268 1HB CYS 41 2HB CYS 41 -12.656 -6.070 -7.336 269 2HB CYS 41 1HB CYS 41 -12.554 -7.097 -8.765 No H/Q in entry = 269 Start of MODEL 10 Start of MODEL 10 1 1H LEU 1 3H LEU 1 4.386 -2.628 -15.712 2 2H LEU 1 2H LEU 1 4.877 -1.156 -15.020 3 3H LEU 1 1H LEU 1 5.040 -1.409 -16.693 4 HA LEU 1 HA LEU 1 6.832 -2.810 -16.471 5 1HB LEU 1 2HB LEU 1 6.793 -0.547 -14.543 6 2HB LEU 1 1HB LEU 1 8.090 -1.725 -14.337 7 HG LEU 1 HG LEU 1 8.403 -1.471 -16.915 8 1HD1 LEU 1 2HD1 LEU 1 6.707 0.912 -16.174 9 2HD1 LEU 1 1HD1 LEU 1 7.838 0.983 -17.524 10 3HD1 LEU 1 3HD1 LEU 1 6.518 -0.187 -17.540 11 1HD2 LEU 1 1HD2 LEU 1 9.912 -0.652 -15.017 12 2HD2 LEU 1 3HD2 LEU 1 10.041 0.232 -16.538 13 3HD2 LEU 1 2HD2 LEU 1 9.123 0.915 -15.196 14 H SER 2 H SER 2 8.079 -4.341 -15.167 15 HA SER 2 HA SER 2 6.400 -6.022 -13.517 16 1HB SER 2 2HB SER 2 9.390 -6.254 -13.514 17 2HB SER 2 1HB SER 2 8.175 -7.528 -13.531 18 HG SER 2 HG SER 2 8.016 -7.358 -15.641 19 H VAL 3 H VAL 3 9.498 -4.425 -12.692 20 HA VAL 3 HA VAL 3 9.228 -4.683 -9.899 21 HB VAL 3 HB VAL 3 11.354 -4.109 -11.013 22 1HG1 VAL 3 1HG1 VAL 3 9.933 -2.343 -12.483 23 2HG1 VAL 3 3HG1 VAL 3 10.593 -1.246 -11.269 24 3HG1 VAL 3 2HG1 VAL 3 11.678 -2.217 -12.264 25 1HG2 VAL 3 1HG2 VAL 3 10.978 -3.534 -8.602 26 2HG2 VAL 3 3HG2 VAL 3 12.133 -2.462 -9.396 27 3HG2 VAL 3 2HG2 VAL 3 10.481 -1.918 -9.103 28 H THR 4 H THR 4 7.780 -3.742 -8.541 29 HA THR 4 HA THR 4 6.690 -1.060 -9.283 30 HB THR 4 HB THR 4 4.658 -2.052 -7.828 31 HG1 THR 4 HG1 THR 4 4.413 -4.217 -8.256 32 1HG2 THR 4 2HG2 THR 4 4.927 -1.234 -10.342 33 2HG2 THR 4 1HG2 THR 4 4.779 -2.960 -10.674 34 3HG2 THR 4 3HG2 THR 4 3.488 -2.112 -9.822 35 H CYS 5 H CYS 5 7.117 -3.346 -6.584 36 HA CYS 5 HA CYS 5 7.888 -1.037 -4.876 37 1HB CYS 5 2HB CYS 5 5.524 -2.561 -4.608 38 2HB CYS 5 1HB CYS 5 6.582 -3.030 -3.289 39 H LYS 6 H LYS 6 7.542 -4.544 -4.308 40 HA LYS 6 HA LYS 6 10.482 -4.797 -4.151 41 1HB LYS 6 2HB LYS 6 8.924 -4.416 -1.828 42 2HB LYS 6 1HB LYS 6 9.305 -6.137 -1.860 43 1HG LYS 6 2HG LYS 6 11.717 -5.016 -2.570 44 2HG LYS 6 1HG LYS 6 11.087 -3.825 -1.433 45 1HD LYS 6 2HD LYS 6 10.502 -6.103 -0.086 46 2HD LYS 6 1HD LYS 6 11.942 -6.629 -0.958 47 1HE LYS 6 2HE LYS 6 12.672 -4.116 -0.056 48 2HE LYS 6 1HE LYS 6 11.700 -4.739 1.277 49 1HZ LYS 6 1HZ LYS 6 13.091 -6.861 0.923 50 2HZ LYS 6 3HZ LYS 6 14.176 -5.832 0.122 51 3HZ LYS 6 2HZ LYS 6 13.785 -5.550 1.751 52 H SER 7 H SER 7 7.351 -6.456 -3.745 53 HA SER 7 HA SER 7 7.967 -8.453 -5.704 54 1HB SER 7 2HB SER 7 9.504 -9.059 -3.705 55 2HB SER 7 1HB SER 7 8.023 -9.582 -2.909 56 HG SER 7 HG SER 7 8.161 -11.322 -4.058 57 H GLY 8 H GLY 8 6.333 -8.615 -2.507 58 1HA GLY 8 2HA GLY 8 3.860 -9.445 -3.943 59 2HA GLY 8 1HA GLY 8 4.187 -9.734 -2.237 60 H ASP 9 H ASP 9 5.156 -6.615 -2.661 61 HA ASP 9 HA ASP 9 2.815 -5.533 -1.347 62 1HB ASP 9 2HB ASP 9 4.811 -3.777 -2.742 63 2HB ASP 9 1HB ASP 9 3.986 -3.521 -1.212 64 H PHE 10 H PHE 10 2.324 -3.131 -2.553 65 HA PHE 10 HA PHE 10 2.026 -3.223 -5.367 66 1HB PHE 10 2HB PHE 10 0.029 -4.243 -5.769 67 2HB PHE 10 1HB PHE 10 0.233 -4.954 -4.177 68 HD1 PHE 10 HD2 PHE 10 -1.280 -2.031 -5.963 69 HD2 PHE 10 HD1 PHE 10 -1.336 -4.485 -2.435 70 HE1 PHE 10 HE2 PHE 10 -3.369 -0.904 -5.225 71 HE2 PHE 10 HE1 PHE 10 -3.423 -3.361 -1.704 72 HZ PHE 10 HZ PHE 10 -4.450 -1.599 -3.079 73 H SER 11 H SER 11 2.037 -1.087 -5.876 74 HA SER 11 HA SER 11 1.448 0.956 -3.923 75 1HB SER 11 2HB SER 11 1.505 1.279 -6.938 76 2HB SER 11 1HB SER 11 1.765 2.533 -5.727 77 HG SER 11 HG SER 11 3.724 1.677 -6.617 78 H CYS 12 H CYS 12 -0.510 2.002 -3.554 79 HA CYS 12 HA CYS 12 -2.959 0.763 -4.067 80 1HB CYS 12 2HB CYS 12 -2.649 3.744 -3.874 81 2HB CYS 12 1HB CYS 12 -4.043 2.795 -3.420 82 H GLY 13 H GLY 13 -1.295 3.202 -6.041 83 1HA GLY 13 2HA GLY 13 -1.569 2.958 -8.517 84 2HA GLY 13 1HA GLY 13 -3.279 2.665 -8.213 85 H GLY 14 H GLY 14 -1.013 5.154 -7.017 86 1HA GLY 14 2HA GLY 14 -1.771 7.352 -8.505 87 2HA GLY 14 1HA GLY 14 -3.050 7.224 -7.299 88 H ARG 15 H ARG 15 -1.293 6.197 -5.194 89 HA ARG 15 HA ARG 15 -0.406 8.704 -4.099 90 1HB ARG 15 2HB ARG 15 -0.410 5.867 -3.268 91 2HB ARG 15 1HB ARG 15 0.900 6.829 -2.584 92 1HG ARG 15 2HG ARG 15 -2.029 7.611 -2.501 93 2HG ARG 15 1HG ARG 15 -1.155 6.862 -1.165 94 1HD ARG 15 2HD ARG 15 0.536 8.884 -1.672 95 2HD ARG 15 1HD ARG 15 -0.955 9.632 -2.246 96 HE ARG 15 HE ARG 15 -1.865 8.951 0.100 97 1HH1 ARG 15 1HH2 ARG 15 0.757 10.870 -0.671 98 2HH1 ARG 15 2HH2 ARG 15 1.428 10.918 0.924 99 1HH2 ARG 15 2HH1 ARG 15 -0.724 8.513 2.192 100 2HH2 ARG 15 1HH1 ARG 15 0.591 9.585 2.544 101 H VAL 16 H VAL 16 1.600 9.648 -4.108 102 HA VAL 16 HA VAL 16 3.495 8.923 -6.091 103 HB VAL 16 HB VAL 16 3.255 11.226 -5.246 104 1HG1 VAL 16 1HG1 VAL 16 2.987 10.284 -2.807 105 2HG1 VAL 16 3HG1 VAL 16 4.743 10.449 -2.755 106 3HG1 VAL 16 2HG1 VAL 16 3.731 11.863 -3.054 107 1HG2 VAL 16 3HG2 VAL 16 5.482 10.226 -6.162 108 2HG2 VAL 16 2HG2 VAL 16 5.537 11.790 -5.350 109 3HG2 VAL 16 1HG2 VAL 16 6.033 10.332 -4.489 110 H ASN 17 H ASN 17 3.365 8.319 -2.608 111 HA ASN 17 HA ASN 17 5.404 6.190 -2.965 112 1HB ASN 17 2HB ASN 17 6.293 8.550 -2.079 113 2HB ASN 17 1HB ASN 17 5.680 7.924 -0.549 114 1HD2 ASN 17 2HD2 ASN 17 7.962 5.025 -0.734 115 2HD2 ASN 17 1HD2 ASN 17 6.302 5.289 -0.502 116 H ARG 18 H ARG 18 3.913 4.573 -2.505 117 HA ARG 18 HA ARG 18 3.327 4.010 0.240 118 1HB ARG 18 2HB ARG 18 1.635 5.882 -0.355 119 2HB ARG 18 1HB ARG 18 0.833 4.651 -1.332 120 1HG ARG 18 2HG ARG 18 1.039 3.197 0.853 121 2HG ARG 18 1HG ARG 18 1.192 4.763 1.647 122 1HD ARG 18 2HD ARG 18 -1.006 4.483 -0.341 123 2HD ARG 18 1HD ARG 18 -1.198 3.615 1.181 124 HE ARG 18 HE ARG 18 -1.463 6.452 0.854 125 1HH1 ARG 18 2HH1 ARG 18 0.953 6.597 2.474 126 2HH1 ARG 18 1HH1 ARG 18 0.369 6.434 4.097 127 1HH2 ARG 18 1HH2 ARG 18 -2.702 5.137 3.145 128 2HH2 ARG 18 2HH2 ARG 18 -1.700 5.607 4.476 129 H CYS 19 H CYS 19 2.649 1.856 0.453 130 HA CYS 19 HA CYS 19 1.829 0.423 -2.009 131 1HB CYS 19 2HB CYS 19 4.434 0.305 -0.869 132 2HB CYS 19 1HB CYS 19 3.663 -1.253 -0.621 133 H ILE 20 H ILE 20 1.276 -1.935 -1.385 134 HA ILE 20 HA ILE 20 0.395 -2.325 1.391 135 HB ILE 20 HB ILE 20 -1.885 -3.052 -0.206 136 1HG1 ILE 20 2HG1 ILE 20 -0.978 -0.181 -0.622 137 2HG1 ILE 20 1HG1 ILE 20 -1.330 -1.371 -1.866 138 1HG2 ILE 20 3HG2 ILE 20 -1.459 -2.198 2.294 139 2HG2 ILE 20 2HG2 ILE 20 -1.975 -0.671 1.577 140 3HG2 ILE 20 1HG2 ILE 20 -3.037 -2.077 1.514 141 1HD1 ILE 20 2HD1 ILE 20 -3.709 -1.442 -0.957 142 2HD1 ILE 20 1HD1 ILE 20 -3.285 -0.048 0.028 143 3HD1 ILE 20 3HD1 ILE 20 -3.246 0.073 -1.731 144 HA PRO 21 HA PRO 21 1.214 -6.499 0.268 145 1HB PRO 21 2HB PRO 21 -0.730 -7.929 1.595 146 2HB PRO 21 1HB PRO 21 0.678 -7.220 2.382 147 1HG PRO 21 2HG PRO 21 -2.122 -6.288 2.409 148 2HG PRO 21 1HG PRO 21 -0.871 -6.061 3.625 149 1HD PRO 21 2HD PRO 21 -1.747 -4.138 1.794 150 2HD PRO 21 1HD PRO 21 -0.242 -4.075 2.713 151 H GLN 22 H GLN 22 0.422 -8.408 -0.910 152 HA GLN 22 HA GLN 22 -1.137 -7.825 -3.202 153 1HB GLN 22 2HB GLN 22 -1.192 -10.295 -3.508 154 2HB GLN 22 1HB GLN 22 0.407 -9.689 -3.122 155 1HG GLN 22 2HG GLN 22 0.348 -11.434 -1.644 156 2HG GLN 22 1HG GLN 22 -0.399 -10.201 -0.634 157 1HE2 GLN 22 2HE2 GLN 22 -2.975 -12.850 -2.464 158 2HE2 GLN 22 1HE2 GLN 22 -1.626 -12.283 -3.325 159 H PHE 23 H PHE 23 -1.983 -9.231 -0.139 160 HA PHE 23 HA PHE 23 -4.631 -10.072 -0.717 161 1HB PHE 23 2HB PHE 23 -3.195 -10.545 1.353 162 2HB PHE 23 1HB PHE 23 -3.790 -8.998 1.927 163 HD1 PHE 23 HD2 PHE 23 -4.747 -12.426 0.977 164 HD2 PHE 23 HD1 PHE 23 -6.114 -8.672 2.559 165 HE1 PHE 23 HE2 PHE 23 -6.870 -13.496 1.685 166 HE2 PHE 23 HE1 PHE 23 -8.236 -9.743 3.268 167 HZ PHE 23 HZ PHE 23 -8.613 -12.155 2.831 168 H TRP 24 H TRP 24 -3.393 -6.906 0.388 169 HA TRP 24 HA TRP 24 -6.063 -5.797 0.650 170 1HB TRP 24 2HB TRP 24 -3.306 -4.717 0.799 171 2HB TRP 24 1HB TRP 24 -4.654 -3.599 0.702 172 HD1 TRP 24 HD1 TRP 24 -3.974 -6.871 2.656 173 HE1 TRP 24 HE1 TRP 24 -4.741 -6.546 5.092 174 HE3 TRP 24 HE3 TRP 24 -5.569 -1.990 2.466 175 HZ2 TRP 24 HZ2 TRP 24 -5.879 -4.523 6.738 176 HZ3 TRP 24 HZ3 TRP 24 -6.507 -0.922 4.494 177 HH2 TRP 24 HH2 TRP 24 -6.651 -2.172 6.626 178 H ARG 25 H ARG 25 -4.224 -6.523 -2.080 179 HA ARG 25 HA ARG 25 -4.925 -4.243 -3.737 180 1HB ARG 25 2HB ARG 25 -3.063 -5.761 -4.354 181 2HB ARG 25 1HB ARG 25 -4.192 -7.106 -4.492 182 1HG ARG 25 2HG ARG 25 -4.173 -6.504 -6.704 183 2HG ARG 25 1HG ARG 25 -5.390 -5.348 -6.170 184 1HD ARG 25 2HD ARG 25 -3.951 -3.560 -6.304 185 2HD ARG 25 1HD ARG 25 -2.541 -4.536 -5.903 186 HE ARG 25 HE ARG 25 -3.061 -5.506 -8.345 187 1HH1 ARG 25 2HH1 ARG 25 -4.699 -2.747 -8.241 188 2HH1 ARG 25 1HH1 ARG 25 -3.673 -1.809 -9.275 189 1HH2 ARG 25 1HH2 ARG 25 -1.074 -4.103 -9.221 190 2HH2 ARG 25 2HH2 ARG 25 -1.621 -2.577 -9.829 191 H CYS 26 H CYS 26 -6.758 -4.021 -5.027 192 HA CYS 26 HA CYS 26 -8.846 -4.519 -5.996 193 1HB CYS 26 2HB CYS 26 -8.014 -7.043 -5.828 194 2HB CYS 26 1HB CYS 26 -9.181 -7.093 -4.506 195 H ASP 27 H ASP 27 -8.522 -5.616 -2.599 196 HA ASP 27 HA ASP 27 -11.036 -4.200 -1.969 197 1HB ASP 27 2HB ASP 27 -9.380 -6.274 -0.630 198 2HB ASP 27 1HB ASP 27 -10.377 -5.233 0.376 199 H GLY 28 H GLY 28 -8.090 -4.609 -0.057 200 1HA GLY 28 2HA GLY 28 -6.541 -3.043 0.747 201 2HA GLY 28 1HA GLY 28 -7.223 -1.864 -0.381 202 H GLN 29 H GLN 29 -9.917 -2.831 1.214 203 HA GLN 29 HA GLN 29 -11.222 -1.637 2.777 204 1HB GLN 29 2HB GLN 29 -8.594 -1.394 4.299 205 2HB GLN 29 1HB GLN 29 -10.216 -1.390 4.972 206 1HG GLN 29 2HG GLN 29 -10.032 -3.750 3.486 207 2HG GLN 29 1HG GLN 29 -8.507 -3.603 4.342 208 1HE2 GLN 29 2HE2 GLN 29 -10.343 -3.441 7.583 209 2HE2 GLN 29 1HE2 GLN 29 -9.255 -2.434 6.757 210 H VAL 30 H VAL 30 -8.793 0.458 4.061 211 HA VAL 30 HA VAL 30 -8.753 2.176 1.767 212 HB VAL 30 HB VAL 30 -10.336 2.883 4.215 213 1HG1 VAL 30 3HG1 VAL 30 -8.846 4.718 2.338 214 2HG1 VAL 30 2HG1 VAL 30 -10.429 5.214 2.935 215 3HG1 VAL 30 1HG1 VAL 30 -9.118 4.899 4.070 216 1HG2 VAL 30 2HG2 VAL 30 -10.672 2.748 1.230 217 2HG2 VAL 30 1HG2 VAL 30 -11.628 1.959 2.485 218 3HG2 VAL 30 3HG2 VAL 30 -11.791 3.695 2.212 219 H ASP 31 H ASP 31 -6.627 1.197 2.325 220 HA ASP 31 HA ASP 31 -5.150 2.625 4.456 221 1HB ASP 31 2HB ASP 31 -4.912 0.147 4.185 222 2HB ASP 31 1HB ASP 31 -4.225 0.452 2.606 223 H CYS 32 H CYS 32 -6.151 3.818 1.817 224 HA CYS 32 HA CYS 32 -3.496 4.845 0.935 225 1HB CYS 32 2HB CYS 32 -5.768 3.976 -0.886 226 2HB CYS 32 1HB CYS 32 -4.245 4.690 -1.417 227 H ASP 33 H ASP 33 -6.131 5.772 2.472 228 HA ASP 33 HA ASP 33 -7.528 7.669 2.547 229 1HB ASP 33 2HB ASP 33 -6.176 9.791 2.429 230 2HB ASP 33 1HB ASP 33 -5.509 8.563 3.502 231 H ASN 34 H ASN 34 -8.777 7.059 0.595 232 HA ASN 34 HA ASN 34 -9.738 7.598 -1.476 233 1HB ASN 34 2HB ASN 34 -9.229 9.982 -0.231 234 2HB ASN 34 1HB ASN 34 -8.374 10.169 -1.755 235 1HD2 ASN 34 2HD2 ASN 34 -12.460 9.735 -1.841 236 2HD2 ASN 34 1HD2 ASN 34 -11.593 9.156 -0.501 237 H GLY 35 H GLY 35 -6.914 6.459 -1.222 238 1HA GLY 35 2HA GLY 35 -5.443 7.502 -3.503 239 2HA GLY 35 1HA GLY 35 -5.060 6.029 -2.613 240 H SER 36 H SER 36 -5.650 4.067 -3.510 241 HA SER 36 HA SER 36 -7.870 3.737 -5.288 242 1HB SER 36 2HB SER 36 -6.117 3.164 -7.269 243 2HB SER 36 1HB SER 36 -6.913 4.726 -7.105 244 HG SER 36 HG SER 36 -4.376 3.990 -6.060 245 H ASP 37 H ASP 37 -6.468 2.309 -3.036 246 HA ASP 37 HA ASP 37 -5.106 0.009 -3.933 247 1HB ASP 37 2HB ASP 37 -6.075 -1.093 -1.851 248 2HB ASP 37 1HB ASP 37 -5.210 0.395 -1.590 249 H GLU 38 H GLU 38 -8.465 0.850 -4.248 250 HA GLU 38 HA GLU 38 -8.974 -1.828 -5.477 251 1HB GLU 38 2HB GLU 38 -11.305 -1.691 -4.677 252 2HB GLU 38 1HB GLU 38 -10.176 -1.649 -3.327 253 1HG GLU 38 2HG GLU 38 -10.390 1.011 -3.850 254 2HG GLU 38 1HG GLU 38 -11.994 0.465 -4.334 255 H GLN 39 H GLN 39 -8.022 0.286 -6.988 256 HA GLN 39 HA GLN 39 -10.432 1.320 -8.395 257 1HB GLN 39 2HB GLN 39 -8.545 2.819 -7.308 258 2HB GLN 39 1HB GLN 39 -7.733 2.439 -8.815 259 1HG GLN 39 2HG GLN 39 -10.501 3.170 -9.308 260 2HG GLN 39 1HG GLN 39 -9.666 4.439 -8.412 261 1HE2 GLN 39 2HE2 GLN 39 -9.100 4.559 -12.240 262 2HE2 GLN 39 1HE2 GLN 39 -10.514 4.156 -11.391 263 H GLY 40 H GLY 40 -7.177 -0.029 -8.880 264 1HA GLY 40 2HA GLY 40 -7.494 -0.274 -11.758 265 2HA GLY 40 1HA GLY 40 -6.201 -0.991 -10.798 266 H CYS 41 HN CYS 41 -7.791 -2.504 -9.004 267 HA CYS 41 HA CYS 41 -8.195 -4.909 -10.466 268 1HB CYS 41 2HB CYS 41 -7.839 -4.688 -7.977 269 2HB CYS 41 1HB CYS 41 -9.516 -4.161 -7.847 No H/Q in entry = 269 No H/Q in entry = 269
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