NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
2141 | 1bgk | cing | recoord | dress | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H VAL 1 HN2 VAL 1 -14.578 -0.260 2.401 2 2H VAL 1 HN VAL 1 -15.668 0.378 3.539 3 3H VAL 1 HN3 VAL 1 -14.958 1.397 2.387 4 HA VAL 1 HA VAL 1 -13.744 1.840 4.303 5 HB VAL 1 HB VAL 1 -14.717 -0.134 5.529 6 1HG1 VAL 1 HG12 VAL 1 -14.037 -1.770 3.707 7 2HG1 VAL 1 HG13 VAL 1 -12.388 -1.646 4.322 8 3HG1 VAL 1 HG11 VAL 1 -13.668 -2.287 5.353 9 1HG2 VAL 1 HG21 VAL 1 -12.215 1.159 5.850 10 2HG2 VAL 1 HG22 VAL 1 -13.167 0.355 7.097 11 3HG2 VAL 1 HG23 VAL 1 -11.939 -0.545 6.207 12 H CYS 2 HN CYS 2 -11.594 2.316 3.975 13 HA CYS 2 HA CYS 2 -10.288 1.151 1.645 14 1HB CYS 2 HB2 CYS 2 -8.425 2.708 2.250 15 2HB CYS 2 HB3 CYS 2 -9.983 3.522 2.114 16 H ARG 3 HN ARG 3 -7.799 0.618 2.025 17 HA ARG 3 HA ARG 3 -6.575 -0.388 4.233 18 1HB ARG 3 HB2 ARG 3 -7.261 -2.872 4.153 19 2HB ARG 3 HB3 ARG 3 -8.387 -1.767 4.941 20 1HG ARG 3 HG2 ARG 3 -9.998 -2.291 3.470 21 2HG ARG 3 HG3 ARG 3 -8.956 -1.829 2.125 22 1HD ARG 3 HD2 ARG 3 -9.762 -4.252 2.114 23 2HD ARG 3 HD3 ARG 3 -8.022 -4.022 1.964 24 HE ARG 3 HE ARG 3 -8.630 -4.294 4.727 25 1HH1 ARG 3 HH12 ARG 3 -8.295 -6.017 1.767 26 2HH1 ARG 3 HH11 ARG 3 -8.201 -7.570 2.526 27 1HH2 ARG 3 HH22 ARG 3 -8.672 -6.332 5.730 28 2HH2 ARG 3 HH21 ARG 3 -8.414 -7.749 4.768 29 H ASP 4 HN ASP 4 -5.151 -2.472 3.617 30 HA ASP 4 HA ASP 4 -3.905 -1.847 1.111 31 1HB ASP 4 HB2 ASP 4 -2.646 -3.990 1.440 32 2HB ASP 4 HB3 ASP 4 -2.627 -2.992 2.894 33 H TRP 5 HN TRP 5 -3.591 -4.188 -0.379 34 HA TRP 5 HA TRP 5 -6.274 -5.362 -0.681 35 1HB TRP 5 HB2 TRP 5 -5.233 -3.229 -2.465 36 2HB TRP 5 HB3 TRP 5 -5.937 -4.629 -3.290 37 HD1 TRP 5 HD1 TRP 5 -6.974 -1.480 -1.766 38 HE1 TRP 5 HE1 TRP 5 -9.489 -1.489 -1.227 39 HE3 TRP 5 HE3 TRP 5 -7.947 -6.457 -2.256 40 HZ2 TRP 5 HZ2 TRP 5 -11.648 -3.372 -1.027 41 HZ3 TRP 5 HZ3 TRP 5 -10.234 -7.335 -1.886 42 HH2 TRP 5 HH2 TRP 5 -12.082 -5.806 -1.274 43 H PHE 6 HN PHE 6 -2.820 -5.176 -1.768 44 HA PHE 6 HA PHE 6 -3.075 -7.727 -3.186 45 1HB PHE 6 HB2 PHE 6 -0.676 -6.167 -2.171 46 2HB PHE 6 HB3 PHE 6 -0.611 -7.474 -3.355 47 HD1 PHE 6 HD2 PHE 6 -3.435 -6.248 -4.500 48 HD2 PHE 6 HD1 PHE 6 0.569 -4.841 -3.840 49 HE1 PHE 6 HE2 PHE 6 -3.736 -4.587 -6.257 50 HE2 PHE 6 HE1 PHE 6 0.298 -3.177 -5.585 51 HZ PHE 6 HZ PHE 6 -1.865 -3.030 -6.818 52 H LYS 7 HN LYS 7 -0.337 -8.427 -1.728 53 HA LYS 7 HA LYS 7 -1.597 -9.687 0.617 54 1HB LYS 7 HB2 LYS 7 0.529 -10.430 -0.971 55 2HB LYS 7 HB3 LYS 7 1.385 -9.619 0.341 56 1HG LYS 7 HG2 LYS 7 -0.763 -11.583 1.038 57 2HG LYS 7 HG3 LYS 7 0.807 -12.197 0.518 58 1HD LYS 7 HD2 LYS 7 1.828 -10.590 2.239 59 2HD LYS 7 HD3 LYS 7 0.195 -10.429 2.889 60 1HE LYS 7 HE2 LYS 7 0.964 -13.217 2.416 61 2HE LYS 7 HE3 LYS 7 1.999 -12.405 3.589 62 1HZ LYS 7 HZ2 LYS 7 -0.406 -11.558 4.357 63 2HZ LYS 7 HZ3 LYS 7 -0.809 -13.100 3.767 64 3HZ LYS 7 HZ1 LYS 7 0.349 -12.943 4.993 65 H GLU 8 HN GLU 8 -1.135 -8.853 2.813 66 HA GLU 8 HA GLU 8 -0.829 -6.066 3.073 67 1HB GLU 8 HB2 GLU 8 0.019 -8.194 5.058 68 2HB GLU 8 HB3 GLU 8 -0.261 -6.493 5.436 69 1HG GLU 8 HG2 GLU 8 -2.608 -6.746 4.599 70 2HG GLU 8 HG3 GLU 8 -2.310 -8.475 4.413 71 H THR 9 HN THR 9 1.683 -8.359 2.314 72 HA THR 9 HA THR 9 3.726 -6.457 3.231 73 HB THR 9 HB THR 9 5.286 -8.294 2.440 74 HG1 THR 9 HG1 THR 9 4.432 -9.990 1.482 75 1HG2 THR 9 HG23 THR 9 3.403 -8.103 4.589 76 2HG2 THR 9 HG21 THR 9 3.700 -9.806 4.230 77 3HG2 THR 9 HG22 THR 9 5.053 -8.737 4.623 78 H ALA 10 HN ALA 10 2.251 -7.504 0.204 79 HA ALA 10 HA ALA 10 4.088 -6.487 -1.703 80 1HB ALA 10 HB3 ALA 10 1.060 -6.254 -1.569 81 2HB ALA 10 HB1 ALA 10 1.970 -5.717 -2.975 82 3HB ALA 10 HB2 ALA 10 1.964 -7.427 -2.528 83 H CYS 11 HN CYS 11 1.712 -5.039 0.330 84 HA CYS 11 HA CYS 11 1.936 -2.303 -0.426 85 1HB CYS 11 HB2 CYS 11 0.971 -3.646 2.138 86 2HB CYS 11 HB3 CYS 11 0.507 -2.035 1.547 87 H ARG 12 HN ARG 12 3.203 -3.900 2.542 88 HA ARG 12 HA ARG 12 4.759 -1.786 3.515 89 1HB ARG 12 HB2 ARG 12 4.787 -3.557 4.968 90 2HB ARG 12 HB3 ARG 12 4.887 -4.754 3.676 91 1HG ARG 12 HG2 ARG 12 7.177 -4.615 3.528 92 2HG ARG 12 HG3 ARG 12 7.221 -2.932 4.062 93 1HD ARG 12 HD2 ARG 12 7.731 -3.642 6.133 94 2HD ARG 12 HD3 ARG 12 6.144 -4.404 6.218 95 HE ARG 12 HE ARG 12 8.431 -5.886 5.004 96 1HH1 ARG 12 HH12 ARG 12 6.944 -7.967 5.047 97 2HH1 ARG 12 HH11 ARG 12 6.635 -8.489 6.670 98 1HH2 ARG 12 HH22 ARG 12 7.604 -5.485 8.103 99 2HH2 ARG 12 HH21 ARG 12 7.009 -7.084 8.399 100 H HIS 13 HN HIS 13 5.379 -3.750 0.687 101 HA HIS 13 HA HIS 13 8.185 -3.075 0.490 102 1HB HIS 13 HB2 HIS 13 7.023 -4.892 -0.872 103 2HB HIS 13 HB3 HIS 13 6.209 -3.615 -1.774 104 HD1 HIS 13 HD1 HIS 13 7.353 -3.581 -4.000 105 HD2 HIS 13 HD2 HIS 13 10.088 -3.786 -0.859 106 HE1 HIS 13 HE1 HIS 13 9.651 -3.383 -5.039 107 H ALA 14 HN ALA 14 5.260 -1.874 -1.098 108 HA ALA 14 HA ALA 14 6.403 0.475 -2.248 109 1HB ALA 14 HB3 ALA 14 3.642 -0.464 -1.576 110 2HB ALA 14 HB1 ALA 14 3.871 1.212 -2.080 111 3HB ALA 14 HB2 ALA 14 4.351 -0.107 -3.152 112 H LYS 15 HN LYS 15 5.518 -0.132 1.112 113 HA LYS 15 HA LYS 15 5.197 2.713 1.740 114 1HB LYS 15 HB2 LYS 15 4.207 1.536 3.511 115 2HB LYS 15 HB3 LYS 15 5.312 0.170 3.328 116 1HG LYS 15 HG2 LYS 15 7.099 1.321 4.388 117 2HG LYS 15 HG3 LYS 15 6.218 2.851 4.373 118 1HD LYS 15 HD2 LYS 15 5.082 2.325 6.258 119 2HD LYS 15 HD3 LYS 15 4.762 0.679 5.705 120 1HE LYS 15 HE2 LYS 15 6.175 0.284 7.515 121 2HE LYS 15 HE3 LYS 15 7.321 0.321 6.174 122 1HZ LYS 15 HZ1 LYS 15 7.421 2.825 6.701 123 2HZ LYS 15 HZ2 LYS 15 6.785 2.376 8.212 124 3HZ LYS 15 HZ3 LYS 15 8.276 1.748 7.689 125 H SER 16 HN SER 16 7.807 0.202 2.166 126 HA SER 16 HA SER 16 9.713 2.282 3.042 127 1HB SER 16 HB2 SER 16 9.402 -0.196 3.881 128 2HB SER 16 HB3 SER 16 10.388 -0.551 2.468 129 HG SER 16 HG SER 16 11.704 1.329 3.442 130 H LEU 17 HN LEU 17 8.645 1.548 0.007 131 HA LEU 17 HA LEU 17 11.443 1.530 -1.001 132 1HB LEU 17 HB2 LEU 17 10.848 0.083 -2.695 133 2HB LEU 17 HB3 LEU 17 9.760 -0.408 -1.409 134 HG LEU 17 HG LEU 17 8.091 1.239 -2.470 135 1HD1 LEU 17 HD13 LEU 17 10.435 1.405 -4.176 136 2HD1 LEU 17 HD11 LEU 17 9.029 0.897 -5.119 137 3HD1 LEU 17 HD12 LEU 17 8.986 2.410 -4.202 138 1HD2 LEU 17 HD22 LEU 17 8.608 -1.419 -2.541 139 2HD2 LEU 17 HD23 LEU 17 7.217 -0.745 -3.374 140 3HD2 LEU 17 HD21 LEU 17 8.708 -1.069 -4.265 141 H GLY 18 HN GLY 18 8.338 3.238 -1.506 142 1HA GLY 18 HA1 GLY 18 9.242 5.712 -1.963 143 2HA GLY 18 HA2 GLY 18 9.783 4.945 -3.459 144 H ASN 19 HN ASN 19 7.448 3.131 -3.439 145 HA ASN 19 HA ASN 19 5.614 4.712 -5.014 146 1HB ASN 19 HB2 ASN 19 4.821 2.089 -3.968 147 2HB ASN 19 HB3 ASN 19 4.692 2.763 -5.531 148 1HD2 ASN 19 HD22 ASN 19 7.325 0.016 -5.302 149 2HD2 ASN 19 HD21 ASN 19 5.790 0.132 -4.579 150 H CYS 20 HN CYS 20 5.885 4.207 -1.648 151 HA CYS 20 HA CYS 20 3.467 3.583 -0.560 152 1HB CYS 20 HB2 CYS 20 4.695 4.426 1.176 153 2HB CYS 20 HB3 CYS 20 5.441 5.682 0.168 154 H ARG 21 HN ARG 21 4.195 6.752 -1.980 155 HA ARG 21 HA ARG 21 1.241 7.145 -2.383 156 1HB ARG 21 HB2 ARG 21 3.344 8.870 -1.274 157 2HB ARG 21 HB3 ARG 21 2.140 9.646 -2.313 158 1HG ARG 21 HG2 ARG 21 0.388 8.319 -0.928 159 2HG ARG 21 HG3 ARG 21 1.673 8.111 0.250 160 1HD ARG 21 HD2 ARG 21 -0.051 10.277 0.151 161 2HD ARG 21 HD3 ARG 21 1.492 10.245 0.994 162 HE ARG 21 HE ARG 21 1.142 11.302 -1.783 163 1HH1 ARG 21 HH22 ARG 21 3.930 10.613 -0.782 164 2HH1 ARG 21 HH21 ARG 21 4.471 12.152 -0.201 165 1HH2 ARG 21 HH12 ARG 21 1.295 13.541 -0.137 166 2HH2 ARG 21 HH11 ARG 21 2.979 13.810 0.165 167 H THR 22 HN THR 22 4.036 6.598 -4.031 168 HA THR 22 HA THR 22 3.477 8.557 -6.190 169 HB THR 22 HB THR 22 5.658 8.246 -6.922 170 HG1 THR 22 HG1 THR 22 5.500 6.035 -7.287 171 1HG2 THR 22 HG23 THR 22 5.650 7.547 -3.984 172 2HG2 THR 22 HG21 THR 22 7.124 7.894 -4.889 173 3HG2 THR 22 HG22 THR 22 5.883 9.135 -4.716 174 H SER 23 HN SER 23 2.699 5.346 -5.331 175 HA SER 23 HA SER 23 2.185 4.745 -8.212 176 1HB SER 23 HB2 SER 23 3.861 3.236 -7.260 177 2HB SER 23 HB3 SER 23 2.862 2.973 -5.847 178 HG SER 23 HG SER 23 2.569 2.054 -8.499 179 H GLN 24 HN GLN 24 -0.027 3.949 -8.605 180 HA GLN 24 HA GLN 24 -1.896 5.023 -6.692 181 1HB GLN 24 HB2 GLN 24 -2.271 3.501 -9.254 182 2HB GLN 24 HB3 GLN 24 -3.634 3.980 -8.243 183 1HG GLN 24 HG2 GLN 24 -1.715 6.152 -8.683 184 2HG GLN 24 HG3 GLN 24 -2.459 5.570 -10.173 185 1HE2 GLN 24 HE22 GLN 24 -5.807 6.462 -9.086 186 2HE2 GLN 24 HE21 GLN 24 -4.988 5.233 -9.922 187 H LYS 25 HN LYS 25 -1.893 1.565 -7.842 188 HA LYS 25 HA LYS 25 -3.577 0.753 -5.702 189 1HB LYS 25 HB2 LYS 25 -2.259 -0.510 -7.806 190 2HB LYS 25 HB3 LYS 25 -1.550 -1.246 -6.364 191 1HG LYS 25 HG2 LYS 25 -3.498 -2.246 -5.739 192 2HG LYS 25 HG3 LYS 25 -4.480 -0.889 -6.274 193 1HD LYS 25 HD2 LYS 25 -3.174 -2.880 -8.151 194 2HD LYS 25 HD3 LYS 25 -4.864 -2.943 -7.647 195 1HE LYS 25 HE2 LYS 25 -5.056 -0.540 -8.512 196 2HE LYS 25 HE3 LYS 25 -3.497 -0.809 -9.288 197 1HZ LYS 25 HZ2 LYS 25 -4.749 -2.985 -10.069 198 2HZ LYS 25 HZ3 LYS 25 -6.102 -1.969 -9.898 199 3HZ LYS 25 HZ1 LYS 25 -4.842 -1.529 -10.940 200 H TYR 26 HN TYR 26 -0.113 0.763 -5.980 201 HA TYR 26 HA TYR 26 0.889 -0.226 -3.560 202 1HB TYR 26 HB2 TYR 26 1.524 1.678 -5.676 203 2HB TYR 26 HB3 TYR 26 2.579 1.710 -4.256 204 HD1 TYR 26 HD2 TYR 26 0.966 -1.522 -4.845 205 HD2 TYR 26 HD1 TYR 26 4.315 0.951 -5.917 206 HE1 TYR 26 HE2 TYR 26 2.143 -3.473 -5.631 207 HE2 TYR 26 HE1 TYR 26 5.528 -1.028 -6.721 208 HH TYR 26 HH TYR 26 4.546 -4.201 -6.007 209 H ARG 27 HN ARG 27 -0.728 2.932 -4.062 210 HA ARG 27 HA ARG 27 0.161 3.715 -1.352 211 1HB ARG 27 HB2 ARG 27 -0.167 5.970 -2.005 212 2HB ARG 27 HB3 ARG 27 0.351 5.206 -3.502 213 1HG ARG 27 HG2 ARG 27 -1.867 5.103 -4.320 214 2HG ARG 27 HG3 ARG 27 -2.549 5.628 -2.755 215 1HD ARG 27 HD2 ARG 27 -0.569 7.317 -4.281 216 2HD ARG 27 HD3 ARG 27 -2.298 7.412 -4.613 217 HE ARG 27 HE ARG 27 -1.711 7.681 -1.779 218 1HH1 ARG 27 HH12 ARG 27 -3.916 9.216 -2.772 219 2HH1 ARG 27 HH11 ARG 27 -3.272 10.807 -3.009 220 1HH2 ARG 27 HH22 ARG 27 0.033 9.763 -2.971 221 2HH2 ARG 27 HH21 ARG 27 -1.036 11.117 -3.121 222 H ALA 28 HN ALA 28 -2.831 3.653 -3.297 223 HA ALA 28 HA ALA 28 -4.504 3.791 -0.904 224 1HB ALA 28 HB3 ALA 28 -5.052 4.612 -3.342 225 2HB ALA 28 HB1 ALA 28 -5.483 2.924 -3.622 226 3HB ALA 28 HB2 ALA 28 -6.332 3.860 -2.392 227 H ASN 29 HN ASN 29 -3.987 1.315 -3.462 228 HA ASN 29 HA ASN 29 -5.333 -0.734 -2.025 229 1HB ASN 29 HB2 ASN 29 -3.534 -0.722 -4.365 230 2HB ASN 29 HB3 ASN 29 -3.583 -2.232 -3.460 231 1HD2 ASN 29 HD22 ASN 29 -7.212 -0.936 -4.918 232 2HD2 ASN 29 HD21 ASN 29 -6.129 0.205 -4.280 233 H CYS 30 HN CYS 30 -2.395 0.723 -1.328 234 HA CYS 30 HA CYS 30 -1.807 -1.455 0.595 235 1HB CYS 30 HB2 CYS 30 0.061 -0.188 -1.431 236 2HB CYS 30 HB3 CYS 30 0.695 -0.964 0.035 237 H ALA 31 HN ALA 31 -3.253 0.783 0.841 238 HA ALA 31 HA ALA 31 -1.910 3.086 1.941 239 1HB ALA 31 HB1 ALA 31 -4.684 2.027 1.603 240 2HB ALA 31 HB2 ALA 31 -4.447 3.323 2.775 241 3HB ALA 31 HB3 ALA 31 -4.012 3.570 1.082 242 H LYS 32 HN LYS 32 -2.420 -0.030 3.129 243 HA LYS 32 HA LYS 32 -2.831 0.723 5.956 244 1HB LYS 32 HB2 LYS 32 -3.736 -1.357 5.813 245 2HB LYS 32 HB3 LYS 32 -2.922 -1.666 4.281 246 1HG LYS 32 HG2 LYS 32 -1.372 -1.757 6.861 247 2HG LYS 32 HG3 LYS 32 -2.322 -3.146 6.340 248 1HD LYS 32 HD2 LYS 32 -1.002 -2.553 4.033 249 2HD LYS 32 HD3 LYS 32 0.200 -2.073 5.232 250 1HE LYS 32 HE2 LYS 32 -0.979 -4.780 4.714 251 2HE LYS 32 HE3 LYS 32 0.707 -4.354 4.986 252 1HZ LYS 32 HZ2 LYS 32 -0.229 -3.632 7.302 253 2HZ LYS 32 HZ3 LYS 32 -1.452 -4.752 6.930 254 3HZ LYS 32 HZ1 LYS 32 0.163 -5.257 6.993 255 H THR 33 HN THR 33 -0.343 0.036 3.665 256 HA THR 33 HA THR 33 1.827 -0.347 5.615 257 HB THR 33 HB THR 33 1.080 -1.221 3.085 258 HG1 THR 33 HG1 THR 33 3.112 -1.544 4.880 259 1HG2 THR 33 HG22 THR 33 2.668 1.037 2.581 260 2HG2 THR 33 HG23 THR 33 3.760 -0.351 2.482 261 3HG2 THR 33 HG21 THR 33 2.329 -0.285 1.473 262 H CYS 34 HN CYS 34 0.362 2.187 3.812 263 HA CYS 34 HA CYS 34 2.615 3.941 4.717 264 1HB CYS 34 HB2 CYS 34 1.982 3.664 2.131 265 2HB CYS 34 HB3 CYS 34 0.796 4.849 2.547 266 H GLU 35 HN GLU 35 -0.534 3.142 5.379 267 HA GLU 35 HA GLU 35 -2.158 4.137 6.637 268 1HB GLU 35 HB2 GLU 35 0.081 6.112 7.127 269 2HB GLU 35 HB3 GLU 35 -1.475 6.152 7.997 270 1HG GLU 35 HG2 GLU 35 -1.262 3.947 8.772 271 2HG GLU 35 HG3 GLU 35 0.086 3.614 7.689 272 H LEU 36 HN LEU 36 -1.944 4.572 3.855 273 HA LEU 36 HA LEU 36 -2.902 7.293 3.286 274 1HB LEU 36 HB2 LEU 36 -2.710 4.762 1.682 275 2HB LEU 36 HB3 LEU 36 -3.125 6.282 0.955 276 HG LEU 36 HG LEU 36 -0.624 6.023 2.576 277 1HD1 LEU 36 HD12 LEU 36 -0.586 4.186 0.900 278 2HD1 LEU 36 HD13 LEU 36 -0.880 5.367 -0.381 279 3HD1 LEU 36 HD11 LEU 36 0.618 5.421 0.545 280 1HD2 LEU 36 HD23 LEU 36 -1.592 8.237 1.706 281 2HD2 LEU 36 HD21 LEU 36 0.094 7.917 1.295 282 3HD2 LEU 36 HD22 LEU 36 -1.171 7.665 0.091 283 H CYS 37 HN CYS 37 -4.203 4.523 4.740 284 HA CYS 37 HA CYS 37 -6.657 4.107 3.430 285 1HB CYS 37 HB2 CYS 37 -5.506 3.181 5.729 286 2HB CYS 37 HB3 CYS 37 -6.791 4.196 6.382 No H/Q in entry = 286 Start of MODEL 2 1 1H VAL 1 HN VAL 1 -13.736 2.783 -0.423 2 2H VAL 1 HN3 VAL 1 -15.172 1.985 -0.015 3 3H VAL 1 HN2 VAL 1 -14.732 3.408 0.804 4 HA VAL 1 HA VAL 1 -13.523 2.312 2.277 5 HB VAL 1 HB VAL 1 -14.640 -0.063 0.758 6 1HG1 VAL 1 HG13 VAL 1 -12.840 0.137 3.091 7 2HG1 VAL 1 HG11 VAL 1 -14.250 -0.894 3.337 8 3HG1 VAL 1 HG12 VAL 1 -13.137 -1.225 2.010 9 1HG2 VAL 1 HG21 VAL 1 -15.583 1.717 2.979 10 2HG2 VAL 1 HG22 VAL 1 -16.498 1.022 1.642 11 3HG2 VAL 1 HG23 VAL 1 -16.047 0.015 3.018 12 H CYS 2 HN CYS 2 -11.340 2.251 2.345 13 HA CYS 2 HA CYS 2 -9.918 0.842 0.131 14 1HB CYS 2 HB2 CYS 2 -8.036 2.558 0.821 15 2HB CYS 2 HB3 CYS 2 -9.347 3.053 -0.251 16 H ARG 3 HN ARG 3 -7.542 0.291 0.916 17 HA ARG 3 HA ARG 3 -6.531 0.001 3.397 18 1HB ARG 3 HB2 ARG 3 -7.445 -2.326 4.096 19 2HB ARG 3 HB3 ARG 3 -8.463 -0.926 4.438 20 1HG ARG 3 HG2 ARG 3 -10.105 -1.795 3.183 21 2HG ARG 3 HG3 ARG 3 -9.038 -1.794 1.779 22 1HD ARG 3 HD2 ARG 3 -9.680 -4.065 2.040 23 2HD ARG 3 HD3 ARG 3 -8.058 -3.974 2.727 24 HE ARG 3 HE ARG 3 -9.848 -3.488 4.848 25 1HH1 ARG 3 HH12 ARG 3 -11.223 -5.633 3.030 26 2HH1 ARG 3 HH11 ARG 3 -10.757 -7.071 3.876 27 1HH2 ARG 3 HH22 ARG 3 -8.317 -5.489 5.764 28 2HH2 ARG 3 HH21 ARG 3 -9.111 -6.989 5.424 29 H ASP 4 HN ASP 4 -5.242 -2.205 3.614 30 HA ASP 4 HA ASP 4 -3.662 -2.617 1.358 31 1HB ASP 4 HB2 ASP 4 -3.230 -4.941 2.329 32 2HB ASP 4 HB3 ASP 4 -2.969 -3.600 3.445 33 H TRP 5 HN TRP 5 -3.665 -4.482 -0.231 34 HA TRP 5 HA TRP 5 -6.282 -5.824 -0.536 35 1HB TRP 5 HB2 TRP 5 -5.286 -3.670 -2.378 36 2HB TRP 5 HB3 TRP 5 -6.163 -5.039 -3.074 37 HD1 TRP 5 HD1 TRP 5 -6.707 -1.840 -1.387 38 HE1 TRP 5 HE1 TRP 5 -9.174 -1.568 -0.668 39 HE3 TRP 5 HE3 TRP 5 -8.310 -6.614 -2.051 40 HZ2 TRP 5 HZ2 TRP 5 -11.527 -3.196 -0.413 41 HZ3 TRP 5 HZ3 TRP 5 -10.659 -7.241 -1.566 42 HH2 TRP 5 HH2 TRP 5 -12.266 -5.545 -0.751 43 H PHE 6 HN PHE 6 -2.856 -5.366 -1.654 44 HA PHE 6 HA PHE 6 -3.015 -7.847 -3.188 45 1HB PHE 6 HB2 PHE 6 -0.700 -6.159 -2.166 46 2HB PHE 6 HB3 PHE 6 -0.530 -7.471 -3.336 47 HD1 PHE 6 HD1 PHE 6 -3.540 -6.263 -4.300 48 HD2 PHE 6 HD2 PHE 6 0.548 -4.968 -4.061 49 HE1 PHE 6 HE1 PHE 6 -3.948 -4.648 -6.088 50 HE2 PHE 6 HE2 PHE 6 0.174 -3.360 -5.828 51 HZ PHE 6 HZ PHE 6 -2.102 -3.183 -6.869 52 H LYS 7 HN LYS 7 -0.204 -8.445 -1.756 53 HA LYS 7 HA LYS 7 -1.415 -9.857 0.531 54 1HB LYS 7 HB2 LYS 7 0.774 -10.442 -1.025 55 2HB LYS 7 HB3 LYS 7 1.566 -9.584 0.299 56 1HG LYS 7 HG2 LYS 7 1.444 -11.440 1.551 57 2HG LYS 7 HG3 LYS 7 -0.317 -11.349 1.479 58 1HD LYS 7 HD2 LYS 7 -0.456 -12.809 -0.339 59 2HD LYS 7 HD3 LYS 7 1.214 -12.516 -0.830 60 1HE LYS 7 HE2 LYS 7 0.762 -14.766 0.295 61 2HE LYS 7 HE3 LYS 7 2.080 -13.811 0.973 62 1HZ LYS 7 HZ1 LYS 7 -0.524 -13.263 2.102 63 2HZ LYS 7 HZ2 LYS 7 0.059 -14.832 2.401 64 3HZ LYS 7 HZ3 LYS 7 0.968 -13.476 2.874 65 H GLU 8 HN GLU 8 -0.958 -9.076 2.789 66 HA GLU 8 HA GLU 8 -0.867 -6.254 3.067 67 1HB GLU 8 HB2 GLU 8 -0.215 -8.507 4.961 68 2HB GLU 8 HB3 GLU 8 0.001 -6.826 5.453 69 1HG GLU 8 HG2 GLU 8 -2.239 -6.418 5.538 70 2HG GLU 8 HG3 GLU 8 -2.584 -7.447 4.146 71 H THR 9 HN THR 9 1.768 -8.369 2.271 72 HA THR 9 HA THR 9 3.635 -6.306 3.223 73 HB THR 9 HB THR 9 5.355 -8.066 2.349 74 HG1 THR 9 HG1 THR 9 3.511 -9.174 1.236 75 1HG2 THR 9 HG22 THR 9 3.755 -7.660 4.686 76 2HG2 THR 9 HG23 THR 9 4.122 -9.380 4.534 77 3HG2 THR 9 HG21 THR 9 5.435 -8.197 4.585 78 H ALA 10 HN ALA 10 2.229 -7.391 0.200 79 HA ALA 10 HA ALA 10 4.092 -6.270 -1.668 80 1HB ALA 10 HB1 ALA 10 1.046 -6.276 -1.592 81 2HB ALA 10 HB2 ALA 10 1.916 -5.550 -2.938 82 3HB ALA 10 HB3 ALA 10 2.057 -7.285 -2.624 83 H CYS 11 HN CYS 11 1.512 -5.055 0.281 84 HA CYS 11 HA CYS 11 1.501 -2.306 -0.301 85 1HB CYS 11 HB2 CYS 11 1.025 -3.794 2.335 86 2HB CYS 11 HB3 CYS 11 0.372 -2.201 1.915 87 H ARG 12 HN ARG 12 2.933 -3.740 2.571 88 HA ARG 12 HA ARG 12 4.646 -1.793 3.501 89 1HB ARG 12 HB2 ARG 12 4.276 -4.270 4.307 90 2HB ARG 12 HB3 ARG 12 5.723 -4.582 3.338 91 1HG ARG 12 HG2 ARG 12 6.638 -2.437 4.562 92 2HG ARG 12 HG3 ARG 12 5.421 -2.864 5.769 93 1HD ARG 12 HD2 ARG 12 6.804 -5.253 5.008 94 2HD ARG 12 HD3 ARG 12 8.002 -4.023 5.411 95 HE ARG 12 HE ARG 12 6.071 -5.230 7.272 96 1HH1 ARG 12 HH22 ARG 12 5.960 -2.249 7.621 97 2HH1 ARG 12 HH21 ARG 12 7.203 -1.979 8.797 98 1HH2 ARG 12 HH11 ARG 12 8.746 -3.583 9.200 99 2HH2 ARG 12 HH12 ARG 12 8.682 -5.081 8.333 100 H HIS 13 HN HIS 13 5.102 -3.589 0.505 101 HA HIS 13 HA HIS 13 7.920 -2.986 0.318 102 1HB HIS 13 HB2 HIS 13 6.124 -4.395 -1.257 103 2HB HIS 13 HB3 HIS 13 6.281 -2.912 -2.189 104 HD1 HIS 13 HD1 HIS 13 7.888 -3.421 -4.019 105 HD2 HIS 13 HD2 HIS 13 9.184 -4.969 -0.370 106 HE1 HIS 13 HE1 HIS 13 10.183 -4.402 -4.434 107 H ALA 14 HN ALA 14 5.200 -1.584 -1.461 108 HA ALA 14 HA ALA 14 6.212 0.860 -2.214 109 1HB ALA 14 HB3 ALA 14 3.968 0.007 -2.740 110 2HB ALA 14 HB1 ALA 14 3.456 0.377 -1.092 111 3HB ALA 14 HB2 ALA 14 3.925 1.687 -2.208 112 H LYS 15 HN LYS 15 5.259 0.144 1.176 113 HA LYS 15 HA LYS 15 5.497 2.978 1.834 114 1HB LYS 15 HB2 LYS 15 4.198 2.107 3.477 115 2HB LYS 15 HB3 LYS 15 4.876 0.494 3.325 116 1HG LYS 15 HG2 LYS 15 6.910 1.209 4.520 117 2HG LYS 15 HG3 LYS 15 6.232 2.832 4.697 118 1HD LYS 15 HD2 LYS 15 4.951 2.198 6.444 119 2HD LYS 15 HD3 LYS 15 4.413 0.735 5.615 120 1HE LYS 15 HE2 LYS 15 5.639 -0.089 7.453 121 2HE LYS 15 HE3 LYS 15 6.777 -0.182 6.110 122 1HZ LYS 15 HZ2 LYS 15 7.238 2.285 6.980 123 2HZ LYS 15 HZ3 LYS 15 6.799 1.542 8.444 124 3HZ LYS 15 HZ1 LYS 15 8.090 0.926 7.539 125 H SER 16 HN SER 16 7.780 0.117 2.119 126 HA SER 16 HA SER 16 9.716 2.029 3.253 127 1HB SER 16 HB2 SER 16 9.815 -0.964 2.917 128 2HB SER 16 HB3 SER 16 11.148 -0.001 3.536 129 HG SER 16 HG SER 16 9.844 -0.734 5.241 130 H LEU 17 HN LEU 17 8.987 1.113 0.064 131 HA LEU 17 HA LEU 17 11.855 1.125 -0.753 132 1HB LEU 17 HB2 LEU 17 9.701 1.589 -2.754 133 2HB LEU 17 HB3 LEU 17 11.195 0.666 -2.940 134 HG LEU 17 HG LEU 17 9.346 -0.587 -1.082 135 1HD1 LEU 17 HD13 LEU 17 7.984 0.976 -2.678 136 2HD1 LEU 17 HD11 LEU 17 8.429 -0.164 -3.941 137 3HD1 LEU 17 HD12 LEU 17 7.443 -0.711 -2.582 138 1HD2 LEU 17 HD22 LEU 17 11.314 -1.319 -2.861 139 2HD2 LEU 17 HD23 LEU 17 10.105 -2.456 -2.259 140 3HD2 LEU 17 HD21 LEU 17 9.874 -1.664 -3.821 141 H GLY 18 HN GLY 18 8.845 2.826 -1.480 142 1HA GLY 18 HA1 GLY 18 9.655 5.437 -0.981 143 2HA GLY 18 HA2 GLY 18 10.247 5.050 -2.605 144 H ASN 19 HN ASN 19 7.811 3.319 -3.156 145 HA ASN 19 HA ASN 19 6.316 5.275 -4.420 146 1HB ASN 19 HB2 ASN 19 4.685 2.881 -3.618 147 2HB ASN 19 HB3 ASN 19 4.947 3.651 -5.119 148 1HD2 ASN 19 HD22 ASN 19 6.770 0.266 -4.669 149 2HD2 ASN 19 HD21 ASN 19 5.335 0.759 -3.910 150 H CYS 20 HN CYS 20 4.808 3.608 -1.598 151 HA CYS 20 HA CYS 20 3.144 4.538 -0.211 152 1HB CYS 20 HB2 CYS 20 5.567 5.035 0.662 153 2HB CYS 20 HB3 CYS 20 5.117 6.707 0.316 154 H ARG 21 HN ARG 21 3.017 5.666 -2.965 155 HA ARG 21 HA ARG 21 0.952 7.340 -3.067 156 1HB ARG 21 HB2 ARG 21 3.196 8.803 -1.899 157 2HB ARG 21 HB3 ARG 21 2.356 9.643 -3.200 158 1HG ARG 21 HG2 ARG 21 0.217 8.642 -1.883 159 2HG ARG 21 HG3 ARG 21 1.306 8.842 -0.524 160 1HD ARG 21 HD2 ARG 21 -0.256 10.822 -1.188 161 2HD ARG 21 HD3 ARG 21 1.418 11.159 -0.770 162 HE ARG 21 HE ARG 21 0.772 10.792 -3.643 163 1HH1 ARG 21 HH22 ARG 21 2.791 12.291 -1.486 164 2HH1 ARG 21 HH21 ARG 21 2.723 13.864 -2.210 165 1HH2 ARG 21 HH12 ARG 21 0.133 13.046 -4.368 166 2HH2 ARG 21 HH11 ARG 21 1.217 14.290 -3.841 167 H THR 22 HN THR 22 4.129 6.722 -4.446 168 HA THR 22 HA THR 22 3.444 8.279 -6.858 169 HB THR 22 HB THR 22 5.671 7.910 -7.548 170 HG1 THR 22 HG1 THR 22 5.728 5.689 -7.372 171 1HG2 THR 22 HG22 THR 22 5.345 9.146 -5.295 172 2HG2 THR 22 HG23 THR 22 6.045 7.697 -4.571 173 3HG2 THR 22 HG21 THR 22 6.974 8.637 -5.739 174 H SER 23 HN SER 23 2.341 5.477 -5.696 175 HA SER 23 HA SER 23 2.170 4.251 -8.407 176 1HB SER 23 HB2 SER 23 3.846 3.068 -6.986 177 2HB SER 23 HB3 SER 23 2.655 2.902 -5.713 178 HG SER 23 HG SER 23 1.516 1.969 -7.878 179 H GLN 24 HN GLN 24 0.007 3.558 -8.845 180 HA GLN 24 HA GLN 24 -1.962 4.817 -7.157 181 1HB GLN 24 HB2 GLN 24 -2.627 2.841 -9.324 182 2HB GLN 24 HB3 GLN 24 -3.566 4.230 -8.772 183 1HG GLN 24 HG2 GLN 24 -1.262 5.468 -9.497 184 2HG GLN 24 HG3 GLN 24 -1.280 4.132 -10.650 185 1HE2 GLN 24 HE22 GLN 24 -3.479 7.211 -11.615 186 2HE2 GLN 24 HE21 GLN 24 -2.026 7.223 -10.737 187 H LYS 25 HN LYS 25 -2.154 1.336 -8.116 188 HA LYS 25 HA LYS 25 -3.836 0.672 -5.957 189 1HB LYS 25 HB2 LYS 25 -2.563 -0.768 -7.944 190 2HB LYS 25 HB3 LYS 25 -1.802 -1.385 -6.472 191 1HG LYS 25 HG2 LYS 25 -3.731 -2.353 -5.705 192 2HG LYS 25 HG3 LYS 25 -4.726 -1.028 -6.291 193 1HD LYS 25 HD2 LYS 25 -4.316 -1.916 -8.649 194 2HD LYS 25 HD3 LYS 25 -3.664 -3.368 -7.885 195 1HE LYS 25 HE2 LYS 25 -5.722 -4.140 -7.407 196 2HE LYS 25 HE3 LYS 25 -6.192 -2.605 -6.678 197 1HZ LYS 25 HZ2 LYS 25 -6.499 -1.749 -8.978 198 2HZ LYS 25 HZ3 LYS 25 -6.277 -3.334 -9.552 199 3HZ LYS 25 HZ1 LYS 25 -7.589 -2.979 -8.543 200 H TYR 26 HN TYR 26 -0.309 0.517 -6.090 201 HA TYR 26 HA TYR 26 0.480 -0.318 -3.568 202 1HB TYR 26 HB2 TYR 26 1.311 1.610 -5.603 203 2HB TYR 26 HB3 TYR 26 2.182 1.695 -4.065 204 HD1 TYR 26 HD1 TYR 26 0.725 -1.537 -4.925 205 HD2 TYR 26 HD2 TYR 26 4.197 0.951 -5.379 206 HE1 TYR 26 HE1 TYR 26 2.020 -3.489 -5.538 207 HE2 TYR 26 HE2 TYR 26 5.539 -1.042 -6.011 208 HH TYR 26 HH TYR 26 4.101 -4.037 -6.801 209 H ARG 27 HN ARG 27 -0.118 3.166 -4.359 210 HA ARG 27 HA ARG 27 0.024 3.931 -1.609 211 1HB ARG 27 HB2 ARG 27 -0.230 6.080 -2.379 212 2HB ARG 27 HB3 ARG 27 0.133 5.296 -3.919 213 1HG ARG 27 HG2 ARG 27 -2.169 5.212 -4.499 214 2HG ARG 27 HG3 ARG 27 -2.671 5.743 -2.875 215 1HD ARG 27 HD2 ARG 27 -0.754 7.576 -4.064 216 2HD ARG 27 HD3 ARG 27 -2.180 7.392 -5.087 217 HE ARG 27 HE ARG 27 -3.142 7.732 -2.468 218 1HH1 ARG 27 HH22 ARG 27 -0.530 9.446 -3.591 219 2HH1 ARG 27 HH21 ARG 27 -1.286 11.005 -3.559 220 1HH2 ARG 27 HH12 ARG 27 -4.454 9.737 -2.927 221 2HH2 ARG 27 HH11 ARG 27 -3.511 11.168 -3.182 222 H ALA 28 HN ALA 28 -2.923 3.708 -3.665 223 HA ALA 28 HA ALA 28 -4.624 3.909 -1.315 224 1HB ALA 28 HB2 ALA 28 -4.988 3.754 -4.237 225 2HB ALA 28 HB3 ALA 28 -6.275 3.011 -3.288 226 3HB ALA 28 HB1 ALA 28 -5.862 4.706 -3.037 227 H ASN 29 HN ASN 29 -4.393 1.252 -3.762 228 HA ASN 29 HA ASN 29 -5.780 -0.588 -2.301 229 1HB ASN 29 HB2 ASN 29 -3.712 -0.925 -4.359 230 2HB ASN 29 HB3 ASN 29 -3.825 -2.294 -3.254 231 1HD2 ASN 29 HD22 ASN 29 -7.256 -1.324 -5.313 232 2HD2 ASN 29 HD21 ASN 29 -6.203 -0.076 -4.849 233 H CYS 30 HN CYS 30 -2.422 0.336 -1.779 234 HA CYS 30 HA CYS 30 -2.415 -1.422 0.635 235 1HB CYS 30 HB2 CYS 30 -0.215 -0.594 -1.269 236 2HB CYS 30 HB3 CYS 30 0.146 -1.198 0.354 237 H ALA 31 HN ALA 31 -3.695 0.719 1.043 238 HA ALA 31 HA ALA 31 -2.143 3.067 1.818 239 1HB ALA 31 HB2 ALA 31 -4.960 2.175 1.667 240 2HB ALA 31 HB3 ALA 31 -4.616 3.387 2.902 241 3HB ALA 31 HB1 ALA 31 -4.251 3.717 1.205 242 H LYS 32 HN LYS 32 -2.500 0.061 3.223 243 HA LYS 32 HA LYS 32 -2.811 0.938 6.024 244 1HB LYS 32 HB2 LYS 32 -3.635 -1.155 6.061 245 2HB LYS 32 HB3 LYS 32 -2.892 -1.556 4.519 246 1HG LYS 32 HG2 LYS 32 -1.230 -1.435 7.040 247 2HG LYS 32 HG3 LYS 32 -2.156 -2.873 6.638 248 1HD LYS 32 HD2 LYS 32 -0.927 -2.383 4.251 249 2HD LYS 32 HD3 LYS 32 0.298 -1.814 5.383 250 1HE LYS 32 HE2 LYS 32 -0.852 -4.572 5.075 251 2HE LYS 32 HE3 LYS 32 0.840 -4.106 5.208 252 1HZ LYS 32 HZ2 LYS 32 0.118 -3.274 7.528 253 2HZ LYS 32 HZ3 LYS 32 -1.195 -4.335 7.321 254 3HZ LYS 32 HZ1 LYS 32 0.388 -4.935 7.289 255 H THR 33 HN THR 33 -0.382 0.111 3.755 256 HA THR 33 HA THR 33 1.863 -0.034 5.692 257 HB THR 33 HB THR 33 1.075 -1.151 3.261 258 HG1 THR 33 HG1 THR 33 2.152 -2.147 4.909 259 1HG2 THR 33 HG23 THR 33 2.968 0.974 2.654 260 2HG2 THR 33 HG21 THR 33 3.691 -0.611 2.415 261 3HG2 THR 33 HG22 THR 33 2.203 -0.185 1.587 262 H CYS 34 HN CYS 34 0.496 2.091 3.333 263 HA CYS 34 HA CYS 34 2.656 4.096 3.688 264 1HB CYS 34 HB2 CYS 34 1.730 3.393 1.476 265 2HB CYS 34 HB3 CYS 34 0.192 4.102 1.925 266 H GLU 35 HN GLU 35 -0.416 3.235 4.941 267 HA GLU 35 HA GLU 35 -1.834 4.263 6.410 268 1HB GLU 35 HB2 GLU 35 0.531 6.156 6.626 269 2HB GLU 35 HB3 GLU 35 -0.887 6.219 7.707 270 1HG GLU 35 HG2 GLU 35 -0.665 3.909 8.282 271 2HG GLU 35 HG3 GLU 35 0.668 3.703 7.153 272 H LEU 36 HN LEU 36 -1.884 4.655 3.664 273 HA LEU 36 HA LEU 36 -2.782 7.398 3.111 274 1HB LEU 36 HB2 LEU 36 -2.790 4.817 1.574 275 2HB LEU 36 HB3 LEU 36 -3.240 6.325 0.833 276 HG LEU 36 HG LEU 36 -0.576 5.820 2.170 277 1HD1 LEU 36 HD13 LEU 36 -1.475 5.621 -0.706 278 2HD1 LEU 36 HD11 LEU 36 0.215 5.919 -0.302 279 3HD1 LEU 36 HD12 LEU 36 -0.572 4.433 0.234 280 1HD2 LEU 36 HD21 LEU 36 -1.674 8.209 1.817 281 2HD2 LEU 36 HD22 LEU 36 0.037 7.962 1.467 282 3HD2 LEU 36 HD23 LEU 36 -1.138 7.976 0.153 283 H CYS 37 HN CYS 37 -4.038 4.665 4.704 284 HA CYS 37 HA CYS 37 -6.607 5.675 5.054 285 1HB CYS 37 HB2 CYS 37 -7.218 5.581 2.797 286 2HB CYS 37 HB3 CYS 37 -6.305 4.099 2.510 No H/Q in entry = 286 Start of MODEL 3 1 1H VAL 1 HN3 VAL 1 -13.270 0.988 4.373 2 2H VAL 1 HN2 VAL 1 -13.572 1.616 2.821 3 3H VAL 1 HN VAL 1 -14.446 0.273 3.386 4 HA VAL 1 HA VAL 1 -12.648 -1.166 3.183 5 HB VAL 1 HB VAL 1 -12.006 0.644 0.889 6 1HG1 VAL 1 HG13 VAL 1 -11.110 -1.672 1.060 7 2HG1 VAL 1 HG11 VAL 1 -12.762 -2.287 1.084 8 3HG1 VAL 1 HG12 VAL 1 -12.150 -1.461 -0.348 9 1HG2 VAL 1 HG21 VAL 1 -14.714 -0.397 1.647 10 2HG2 VAL 1 HG22 VAL 1 -14.284 1.111 0.842 11 3HG2 VAL 1 HG23 VAL 1 -14.262 -0.406 -0.057 12 H CYS 2 HN CYS 2 -11.616 0.530 5.123 13 HA CYS 2 HA CYS 2 -9.199 1.871 4.253 14 1HB CYS 2 HB2 CYS 2 -10.530 1.209 6.806 15 2HB CYS 2 HB3 CYS 2 -8.777 1.385 6.891 16 H ARG 3 HN ARG 3 -7.592 0.282 3.208 17 HA ARG 3 HA ARG 3 -6.177 -1.390 5.008 18 1HB ARG 3 HB2 ARG 3 -6.924 -3.613 4.195 19 2HB ARG 3 HB3 ARG 3 -8.203 -2.759 5.053 20 1HG ARG 3 HG2 ARG 3 -9.506 -2.607 3.208 21 2HG ARG 3 HG3 ARG 3 -8.146 -2.154 2.182 22 1HD ARG 3 HD2 ARG 3 -9.324 -4.441 1.744 23 2HD ARG 3 HD3 ARG 3 -7.562 -4.379 1.742 24 HE ARG 3 HE ARG 3 -8.964 -5.121 4.262 25 1HH1 ARG 3 HH12 ARG 3 -8.078 -6.666 1.463 26 2HH1 ARG 3 HH11 ARG 3 -6.958 -7.768 2.194 27 1HH2 ARG 3 HH22 ARG 3 -7.014 -6.189 5.281 28 2HH2 ARG 3 HH21 ARG 3 -6.356 -7.498 4.356 29 H ASP 4 HN ASP 4 -5.303 -3.405 3.287 30 HA ASP 4 HA ASP 4 -4.005 -1.775 1.164 31 1HB ASP 4 HB2 ASP 4 -2.192 -3.301 1.261 32 2HB ASP 4 HB3 ASP 4 -2.691 -3.132 2.945 33 H TRP 5 HN TRP 5 -3.234 -4.196 -0.431 34 HA TRP 5 HA TRP 5 -5.872 -5.284 -1.178 35 1HB TRP 5 HB2 TRP 5 -4.500 -3.092 -2.612 36 2HB TRP 5 HB3 TRP 5 -5.118 -4.380 -3.659 37 HD1 TRP 5 HD1 TRP 5 -6.342 -1.284 -2.339 38 HE1 TRP 5 HE1 TRP 5 -8.893 -1.293 -2.019 39 HE3 TRP 5 HE3 TRP 5 -7.236 -6.297 -2.624 40 HZ2 TRP 5 HZ2 TRP 5 -11.046 -3.187 -1.895 41 HZ3 TRP 5 HZ3 TRP 5 -9.537 -7.179 -2.400 42 HH2 TRP 5 HH2 TRP 5 -11.440 -5.635 -2.037 43 H PHE 6 HN PHE 6 -2.299 -5.113 -1.780 44 HA PHE 6 HA PHE 6 -2.352 -7.633 -3.297 45 1HB PHE 6 HB2 PHE 6 -0.105 -6.132 -1.894 46 2HB PHE 6 HB3 PHE 6 0.096 -7.375 -3.132 47 HD1 PHE 6 HD2 PHE 6 -2.033 -6.586 -5.028 48 HD2 PHE 6 HD1 PHE 6 0.825 -4.218 -2.866 49 HE1 PHE 6 HE2 PHE 6 -2.154 -4.865 -6.761 50 HE2 PHE 6 HE1 PHE 6 0.726 -2.502 -4.569 51 HZ PHE 6 HZ PHE 6 -0.765 -2.800 -6.542 52 H LYS 7 HN LYS 7 0.075 -8.523 -1.649 53 HA LYS 7 HA LYS 7 -1.407 -9.772 0.555 54 1HB LYS 7 HB2 LYS 7 1.550 -9.686 -0.230 55 2HB LYS 7 HB3 LYS 7 0.989 -10.519 1.222 56 1HG LYS 7 HG2 LYS 7 -0.128 -11.121 -1.521 57 2HG LYS 7 HG3 LYS 7 1.261 -11.980 -0.852 58 1HD LYS 7 HD2 LYS 7 -0.291 -12.320 1.233 59 2HD LYS 7 HD3 LYS 7 -1.593 -11.997 0.085 60 1HE LYS 7 HE2 LYS 7 0.526 -13.954 -0.702 61 2HE LYS 7 HE3 LYS 7 -0.700 -14.470 0.456 62 1HZ LYS 7 HZ1 LYS 7 -1.492 -13.092 -2.025 63 2HZ LYS 7 HZ2 LYS 7 -1.141 -14.755 -2.050 64 3HZ LYS 7 HZ3 LYS 7 -2.391 -14.157 -1.063 65 H GLU 8 HN GLU 8 -0.954 -9.050 2.872 66 HA GLU 8 HA GLU 8 -0.811 -6.226 3.161 67 1HB GLU 8 HB2 GLU 8 0.222 -8.129 5.266 68 2HB GLU 8 HB3 GLU 8 -0.658 -6.620 5.497 69 1HG GLU 8 HG2 GLU 8 -2.485 -7.931 5.736 70 2HG GLU 8 HG3 GLU 8 -2.425 -8.084 3.979 71 H THR 9 HN THR 9 1.752 -8.459 2.498 72 HA THR 9 HA THR 9 3.735 -6.491 3.427 73 HB THR 9 HB THR 9 5.336 -8.382 2.760 74 HG1 THR 9 HG1 THR 9 4.452 -10.158 1.989 75 1HG2 THR 9 HG23 THR 9 3.432 -7.971 4.887 76 2HG2 THR 9 HG21 THR 9 3.828 -9.685 4.741 77 3HG2 THR 9 HG22 THR 9 5.116 -8.500 4.992 78 H ALA 10 HN ALA 10 2.313 -7.608 0.445 79 HA ALA 10 HA ALA 10 4.284 -6.657 -1.434 80 1HB ALA 10 HB1 ALA 10 1.377 -7.182 -1.486 81 2HB ALA 10 HB2 ALA 10 1.785 -5.737 -2.402 82 3HB ALA 10 HB3 ALA 10 2.518 -7.286 -2.827 83 H CYS 11 HN CYS 11 1.830 -5.188 0.572 84 HA CYS 11 HA CYS 11 2.374 -2.531 -0.389 85 1HB CYS 11 HB2 CYS 11 0.695 -3.789 1.798 86 2HB CYS 11 HB3 CYS 11 0.891 -2.016 1.744 87 H ARG 12 HN ARG 12 3.563 -4.528 2.280 88 HA ARG 12 HA ARG 12 4.998 -2.574 3.745 89 1HB ARG 12 HB2 ARG 12 5.450 -4.689 4.652 90 2HB ARG 12 HB3 ARG 12 5.578 -5.451 3.053 91 1HG ARG 12 HG2 ARG 12 7.686 -4.530 2.619 92 2HG ARG 12 HG3 ARG 12 7.530 -3.325 3.891 93 1HD ARG 12 HD2 ARG 12 8.336 -4.729 5.473 94 2HD ARG 12 HD3 ARG 12 7.307 -6.054 4.928 95 HE ARG 12 HE ARG 12 9.045 -6.648 3.301 96 1HH1 ARG 12 HH22 ARG 12 10.345 -3.944 3.075 97 2HH1 ARG 12 HH21 ARG 12 11.814 -4.179 3.962 98 1HH2 ARG 12 HH12 ARG 12 10.715 -7.069 5.533 99 2HH2 ARG 12 HH11 ARG 12 12.023 -5.949 5.353 100 H HIS 13 HN HIS 13 5.405 -3.888 0.532 101 HA HIS 13 HA HIS 13 8.075 -2.823 0.117 102 1HB HIS 13 HB2 HIS 13 7.070 -4.698 -1.260 103 2HB HIS 13 HB3 HIS 13 5.953 -3.522 -1.954 104 HD1 HIS 13 HD1 HIS 13 6.769 -2.940 -4.232 105 HD2 HIS 13 HD2 HIS 13 9.920 -3.273 -1.523 106 HE1 HIS 13 HE1 HIS 13 8.869 -2.323 -5.500 107 H ALA 14 HN ALA 14 4.800 -1.844 -1.025 108 HA ALA 14 HA ALA 14 5.535 0.606 -2.203 109 1HB ALA 14 HB3 ALA 14 3.059 0.103 -0.534 110 2HB ALA 14 HB1 ALA 14 3.321 1.495 -1.590 111 3HB ALA 14 HB2 ALA 14 3.223 -0.134 -2.275 112 H LYS 15 HN LYS 15 4.470 0.382 1.237 113 HA LYS 15 HA LYS 15 5.237 3.052 1.861 114 1HB LYS 15 HB2 LYS 15 4.105 2.289 3.660 115 2HB LYS 15 HB3 LYS 15 4.499 0.607 3.324 116 1HG LYS 15 HG2 LYS 15 6.758 0.965 4.298 117 2HG LYS 15 HG3 LYS 15 6.303 2.629 4.678 118 1HD LYS 15 HD2 LYS 15 4.309 1.623 5.943 119 2HD LYS 15 HD3 LYS 15 5.164 0.083 5.831 120 1HE LYS 15 HE2 LYS 15 6.076 0.797 7.808 121 2HE LYS 15 HE3 LYS 15 7.185 1.627 6.716 122 1HZ LYS 15 HZ2 LYS 15 4.718 3.031 7.291 123 2HZ LYS 15 HZ3 LYS 15 5.771 2.855 8.614 124 3HZ LYS 15 HZ1 LYS 15 6.311 3.620 7.203 125 H SER 16 HN SER 16 7.179 -0.031 1.741 126 HA SER 16 HA SER 16 9.583 1.347 2.775 127 1HB SER 16 HB2 SER 16 9.054 -1.450 1.838 128 2HB SER 16 HB3 SER 16 10.541 -0.891 2.588 129 HG SER 16 HG SER 16 8.893 -0.121 4.297 130 H LEU 17 HN LEU 17 8.280 1.478 -0.247 131 HA LEU 17 HA LEU 17 10.916 0.944 -1.532 132 1HB LEU 17 HB2 LEU 17 9.843 0.114 -3.434 133 2HB LEU 17 HB3 LEU 17 8.846 -0.482 -2.116 134 HG LEU 17 HG LEU 17 7.432 1.629 -2.476 135 1HD1 LEU 17 HD11 LEU 17 9.525 2.075 -4.306 136 2HD1 LEU 17 HD12 LEU 17 8.107 1.699 -5.298 137 3HD1 LEU 17 HD13 LEU 17 8.053 3.035 -4.139 138 1HD2 LEU 17 HD23 LEU 17 7.077 -0.845 -3.142 139 2HD2 LEU 17 HD21 LEU 17 6.072 0.344 -3.967 140 3HD2 LEU 17 HD22 LEU 17 7.478 -0.333 -4.785 141 H GLY 18 HN GLY 18 8.225 3.245 -1.474 142 1HA GLY 18 HA1 GLY 18 9.439 5.600 -1.549 143 2HA GLY 18 HA2 GLY 18 9.851 5.056 -3.173 144 H ASN 19 HN ASN 19 6.893 3.677 -2.745 145 HA ASN 19 HA ASN 19 5.646 5.848 -4.224 146 1HB ASN 19 HB2 ASN 19 4.981 2.986 -3.588 147 2HB ASN 19 HB3 ASN 19 3.803 3.940 -4.317 148 1HD2 ASN 19 HD22 ASN 19 6.358 2.252 -6.676 149 2HD2 ASN 19 HD21 ASN 19 5.753 1.725 -5.175 150 H CYS 20 HN CYS 20 3.973 3.869 -1.736 151 HA CYS 20 HA CYS 20 2.410 4.628 -0.138 152 1HB CYS 20 HB2 CYS 20 4.817 4.878 0.773 153 2HB CYS 20 HB3 CYS 20 4.570 6.600 0.532 154 H ARG 21 HN ARG 21 2.398 6.160 -2.753 155 HA ARG 21 HA ARG 21 0.392 7.988 -2.542 156 1HB ARG 21 HB2 ARG 21 2.805 9.026 -1.264 157 2HB ARG 21 HB3 ARG 21 2.089 10.131 -2.442 158 1HG ARG 21 HG2 ARG 21 0.124 10.363 -1.245 159 2HG ARG 21 HG3 ARG 21 0.253 8.758 -0.524 160 1HD ARG 21 HD2 ARG 21 1.273 9.592 1.302 161 2HD ARG 21 HD3 ARG 21 2.478 10.409 0.308 162 HE ARG 21 HE ARG 21 -0.100 11.596 1.200 163 1HH1 ARG 21 HH12 ARG 21 1.320 12.300 -1.539 164 2HH1 ARG 21 HH11 ARG 21 2.058 13.800 -1.086 165 1HH2 ARG 21 HH22 ARG 21 1.561 13.323 2.313 166 2HH2 ARG 21 HH21 ARG 21 2.195 14.379 1.094 167 H THR 22 HN THR 22 3.532 7.323 -4.061 168 HA THR 22 HA THR 22 2.880 9.156 -6.276 169 HB THR 22 HB THR 22 5.052 8.550 -7.161 170 HG1 THR 22 HG1 THR 22 6.218 6.887 -5.865 171 1HG2 THR 22 HG22 THR 22 4.708 9.388 -4.409 172 2HG2 THR 22 HG23 THR 22 6.233 8.530 -4.624 173 3HG2 THR 22 HG21 THR 22 5.872 9.946 -5.609 174 H SER 23 HN SER 23 2.566 5.818 -5.360 175 HA SER 23 HA SER 23 1.739 5.152 -8.159 176 1HB SER 23 HB2 SER 23 3.283 3.812 -6.055 177 2HB SER 23 HB3 SER 23 1.967 2.803 -6.620 178 HG SER 23 HG SER 23 3.269 2.429 -8.257 179 H GLN 24 HN GLN 24 -0.485 5.464 -8.224 180 HA GLN 24 HA GLN 24 -2.220 5.754 -6.107 181 1HB GLN 24 HB2 GLN 24 -3.130 4.215 -8.533 182 2HB GLN 24 HB3 GLN 24 -4.022 5.405 -7.583 183 1HG GLN 24 HG2 GLN 24 -2.224 7.090 -8.332 184 2HG GLN 24 HG3 GLN 24 -1.778 5.885 -9.543 185 1HE2 GLN 24 HE22 GLN 24 -4.661 8.279 -10.595 186 2HE2 GLN 24 HE21 GLN 24 -3.314 8.637 -9.626 187 H LYS 25 HN LYS 25 -0.922 2.657 -7.231 188 HA LYS 25 HA LYS 25 -2.822 1.183 -5.539 189 1HB LYS 25 HB2 LYS 25 -1.524 0.517 -7.824 190 2HB LYS 25 HB3 LYS 25 -0.389 -0.142 -6.630 191 1HG LYS 25 HG2 LYS 25 -1.950 -1.568 -5.690 192 2HG LYS 25 HG3 LYS 25 -3.295 -0.556 -6.230 193 1HD LYS 25 HD2 LYS 25 -1.563 -2.159 -8.131 194 2HD LYS 25 HD3 LYS 25 -3.101 -2.743 -7.493 195 1HE LYS 25 HE2 LYS 25 -4.173 -0.642 -8.402 196 2HE LYS 25 HE3 LYS 25 -2.648 -0.299 -9.219 197 1HZ LYS 25 HZ2 LYS 25 -2.832 -2.543 -10.239 198 2HZ LYS 25 HZ3 LYS 25 -4.404 -2.659 -9.603 199 3HZ LYS 25 HZ1 LYS 25 -4.041 -1.454 -10.736 200 H TYR 26 HN TYR 26 0.708 1.733 -5.720 201 HA TYR 26 HA TYR 26 1.240 0.496 -3.228 202 1HB TYR 26 HB2 TYR 26 2.728 2.497 -4.866 203 2HB TYR 26 HB3 TYR 26 3.411 1.835 -3.395 204 HD1 TYR 26 HD1 TYR 26 2.150 -1.009 -3.525 205 HD2 TYR 26 HD2 TYR 26 4.127 1.418 -6.494 206 HE1 TYR 26 HE1 TYR 26 2.770 -2.953 -4.665 207 HE2 TYR 26 HE2 TYR 26 4.781 -0.620 -7.687 208 HH TYR 26 HH TYR 26 5.153 -3.176 -6.937 209 H ARG 27 HN ARG 27 -0.489 3.342 -3.707 210 HA ARG 27 HA ARG 27 0.247 4.274 -0.987 211 1HB ARG 27 HB2 ARG 27 -0.184 6.474 -1.648 212 2HB ARG 27 HB3 ARG 27 0.404 5.818 -3.181 213 1HG ARG 27 HG2 ARG 27 -1.833 5.484 -3.963 214 2HG ARG 27 HG3 ARG 27 -2.519 5.970 -2.389 215 1HD ARG 27 HD2 ARG 27 -0.771 7.752 -4.096 216 2HD ARG 27 HD3 ARG 27 -2.530 7.763 -4.193 217 HE ARG 27 HE ARG 27 -1.052 9.177 -2.254 218 1HH1 ARG 27 HH22 ARG 27 -3.839 7.260 -2.692 219 2HH1 ARG 27 HH21 ARG 27 -4.500 7.589 -1.124 220 1HH2 ARG 27 HH12 ARG 27 -1.761 9.451 -0.088 221 2HH2 ARG 27 HH11 ARG 27 -3.317 8.834 0.354 222 H ALA 28 HN ALA 28 -2.435 3.853 -3.288 223 HA ALA 28 HA ALA 28 -4.463 3.899 -1.190 224 1HB ALA 28 HB2 ALA 28 -4.709 4.538 -3.727 225 2HB ALA 28 HB3 ALA 28 -4.880 2.800 -3.973 226 3HB ALA 28 HB1 ALA 28 -6.026 3.662 -2.948 227 H ASN 29 HN ASN 29 -3.315 1.372 -3.498 228 HA ASN 29 HA ASN 29 -4.604 -0.748 -2.112 229 1HB ASN 29 HB2 ASN 29 -2.398 -0.649 -4.131 230 2HB ASN 29 HB3 ASN 29 -2.587 -2.133 -3.201 231 1HD2 ASN 29 HD22 ASN 29 -6.027 -1.074 -5.153 232 2HD2 ASN 29 HD21 ASN 29 -5.243 0.060 -4.162 233 H CYS 30 HN CYS 30 -1.934 1.119 -1.186 234 HA CYS 30 HA CYS 30 -1.324 -0.890 0.944 235 1HB CYS 30 HB2 CYS 30 0.579 1.062 -0.381 236 2HB CYS 30 HB3 CYS 30 1.012 -0.153 0.841 237 H ALA 31 HN ALA 31 -3.343 0.968 1.035 238 HA ALA 31 HA ALA 31 -2.615 3.383 2.372 239 1HB ALA 31 HB2 ALA 31 -5.075 1.901 1.722 240 2HB ALA 31 HB3 ALA 31 -5.187 2.757 3.261 241 3HB ALA 31 HB1 ALA 31 -4.815 3.643 1.780 242 H LYS 32 HN LYS 32 -2.876 0.073 3.297 243 HA LYS 32 HA LYS 32 -3.077 0.532 6.196 244 1HB LYS 32 HB2 LYS 32 -4.096 -1.465 5.681 245 2HB LYS 32 HB3 LYS 32 -3.058 -1.753 4.291 246 1HG LYS 32 HG2 LYS 32 -1.932 -1.909 7.082 247 2HG LYS 32 HG3 LYS 32 -2.798 -3.277 6.386 248 1HD LYS 32 HD2 LYS 32 -1.115 -2.647 4.337 249 2HD LYS 32 HD3 LYS 32 -0.125 -2.207 5.726 250 1HE LYS 32 HE2 LYS 32 -1.231 -4.892 4.966 251 2HE LYS 32 HE3 LYS 32 0.410 -4.494 5.458 252 1HZ LYS 32 HZ3 LYS 32 -0.737 -3.846 7.670 253 2HZ LYS 32 HZ1 LYS 32 -2.000 -4.831 7.119 254 3HZ LYS 32 HZ2 LYS 32 -0.444 -5.485 7.327 255 H THR 33 HN THR 33 -0.727 0.245 3.696 256 HA THR 33 HA THR 33 1.572 0.123 5.591 257 HB THR 33 HB THR 33 1.732 -0.582 2.724 258 HG1 THR 33 HG1 THR 33 1.595 -2.882 3.936 259 1HG2 THR 33 HG23 THR 33 3.494 -0.373 4.809 260 2HG2 THR 33 HG21 THR 33 3.302 -2.119 4.627 261 3HG2 THR 33 HG22 THR 33 3.817 -1.138 3.251 262 H CYS 34 HN CYS 34 0.512 2.243 5.246 263 HA CYS 34 HA CYS 34 2.344 4.104 4.042 264 1HB CYS 34 HB2 CYS 34 1.242 3.144 2.011 265 2HB CYS 34 HB3 CYS 34 -0.272 3.815 2.575 266 H GLU 35 HN GLU 35 -0.954 3.523 5.166 267 HA GLU 35 HA GLU 35 -2.260 4.643 6.657 268 1HB GLU 35 HB2 GLU 35 0.328 5.960 7.097 269 2HB GLU 35 HB3 GLU 35 -1.053 7.039 7.386 270 1HG GLU 35 HG2 GLU 35 -1.979 5.680 9.005 271 2HG GLU 35 HG3 GLU 35 -1.190 4.234 8.376 272 H LEU 36 HN LEU 36 -2.868 4.686 4.322 273 HA LEU 36 HA LEU 36 -3.712 7.426 3.483 274 1HB LEU 36 HB2 LEU 36 -3.483 4.955 1.789 275 2HB LEU 36 HB3 LEU 36 -3.737 6.557 1.185 276 HG LEU 36 HG LEU 36 -1.233 5.439 2.439 277 1HD1 LEU 36 HD11 LEU 36 -2.153 6.110 -0.222 278 2HD1 LEU 36 HD12 LEU 36 -0.705 7.038 0.190 279 3HD1 LEU 36 HD13 LEU 36 -0.688 5.276 0.290 280 1HD2 LEU 36 HD22 LEU 36 -2.279 8.212 2.463 281 2HD2 LEU 36 HD23 LEU 36 -1.056 7.460 3.490 282 3HD2 LEU 36 HD21 LEU 36 -0.620 8.044 1.885 283 H CYS 37 HN CYS 37 -4.690 4.411 4.780 284 HA CYS 37 HA CYS 37 -7.116 3.792 3.605 285 1HB CYS 37 HB2 CYS 37 -7.187 2.454 5.412 286 2HB CYS 37 HB3 CYS 37 -5.894 3.391 6.162 No H/Q in entry = 286 Start of MODEL 4 1 1H VAL 1 HN VAL 1 -14.102 1.514 1.824 2 2H VAL 1 HN3 VAL 1 -15.073 0.236 2.363 3 3H VAL 1 HN2 VAL 1 -15.291 1.795 3.007 4 HA VAL 1 HA VAL 1 -13.722 1.517 4.531 5 HB VAL 1 HB VAL 1 -13.321 -0.728 5.185 6 1HG1 VAL 1 HG13 VAL 1 -15.835 0.087 4.518 7 2HG1 VAL 1 HG11 VAL 1 -15.705 -1.389 3.561 8 3HG1 VAL 1 HG12 VAL 1 -15.483 -1.448 5.310 9 1HG2 VAL 1 HG21 VAL 1 -13.743 -1.452 2.265 10 2HG2 VAL 1 HG22 VAL 1 -12.201 -1.460 3.120 11 3HG2 VAL 1 HG23 VAL 1 -13.460 -2.613 3.563 12 H CYS 2 HN CYS 2 -11.447 1.546 4.888 13 HA CYS 2 HA CYS 2 -9.868 1.490 2.369 14 1HB CYS 2 HB2 CYS 2 -8.194 2.817 3.719 15 2HB CYS 2 HB3 CYS 2 -9.758 3.612 3.534 16 H ARG 3 HN ARG 3 -7.485 0.721 2.752 17 HA ARG 3 HA ARG 3 -6.350 -0.724 4.715 18 1HB ARG 3 HB2 ARG 3 -7.092 -3.124 4.267 19 2HB ARG 3 HB3 ARG 3 -8.251 -2.134 5.154 20 1HG ARG 3 HG2 ARG 3 -9.742 -2.069 3.417 21 2HG ARG 3 HG3 ARG 3 -8.472 -2.068 2.192 22 1HD ARG 3 HD2 ARG 3 -9.961 -4.198 2.449 23 2HD ARG 3 HD3 ARG 3 -8.220 -4.395 2.258 24 HE ARG 3 HE ARG 3 -9.054 -4.216 5.050 25 1HH1 ARG 3 HH22 ARG 3 -7.346 -5.975 2.800 26 2HH1 ARG 3 HH21 ARG 3 -7.677 -7.531 3.483 27 1HH2 ARG 3 HH12 ARG 3 -10.034 -6.338 5.728 28 2HH2 ARG 3 HH11 ARG 3 -9.200 -7.737 5.141 29 H ASP 4 HN ASP 4 -5.173 -2.878 3.708 30 HA ASP 4 HA ASP 4 -3.920 -1.873 1.257 31 1HB ASP 4 HB2 ASP 4 -2.522 -3.970 1.463 32 2HB ASP 4 HB3 ASP 4 -2.471 -2.957 2.906 33 H TRP 5 HN TRP 5 -3.458 -4.252 -0.244 34 HA TRP 5 HA TRP 5 -6.129 -5.473 -0.574 35 1HB TRP 5 HB2 TRP 5 -5.077 -3.349 -2.342 36 2HB TRP 5 HB3 TRP 5 -5.770 -4.751 -3.169 37 HD1 TRP 5 HD1 TRP 5 -6.859 -1.590 -1.745 38 HE1 TRP 5 HE1 TRP 5 -9.371 -1.616 -1.196 39 HE3 TRP 5 HE3 TRP 5 -7.757 -6.598 -2.034 40 HZ2 TRP 5 HZ2 TRP 5 -11.500 -3.524 -0.914 41 HZ3 TRP 5 HZ3 TRP 5 -10.027 -7.496 -1.621 42 HH2 TRP 5 HH2 TRP 5 -11.896 -5.972 -1.063 43 H PHE 6 HN PHE 6 -2.613 -5.428 -1.417 44 HA PHE 6 HA PHE 6 -2.943 -7.842 -3.045 45 1HB PHE 6 HB2 PHE 6 -0.490 -6.455 -1.872 46 2HB PHE 6 HB3 PHE 6 -0.464 -7.725 -3.104 47 HD1 PHE 6 HD2 PHE 6 -2.508 -7.100 -4.954 48 HD2 PHE 6 HD1 PHE 6 0.040 -4.431 -2.781 49 HE1 PHE 6 HE2 PHE 6 -2.816 -5.399 -6.697 50 HE2 PHE 6 HE1 PHE 6 -0.253 -2.712 -4.511 51 HZ PHE 6 HZ PHE 6 -1.679 -3.193 -6.471 52 H LYS 7 HN LYS 7 -0.392 -8.905 -1.588 53 HA LYS 7 HA LYS 7 -1.954 -10.262 0.502 54 1HB LYS 7 HB2 LYS 7 -0.143 -11.319 -1.034 55 2HB LYS 7 HB3 LYS 7 0.994 -10.685 0.157 56 1HG LYS 7 HG2 LYS 7 0.593 -12.669 1.206 57 2HG LYS 7 HG3 LYS 7 -0.833 -11.821 1.809 58 1HD LYS 7 HD2 LYS 7 -2.206 -13.197 0.687 59 2HD LYS 7 HD3 LYS 7 -1.352 -12.890 -0.827 60 1HE LYS 7 HE2 LYS 7 0.443 -14.493 0.456 61 2HE LYS 7 HE3 LYS 7 -1.079 -15.146 1.060 62 1HZ LYS 7 HZ2 LYS 7 -1.188 -14.594 -1.734 63 2HZ LYS 7 HZ3 LYS 7 0.065 -15.682 -1.365 64 3HZ LYS 7 HZ1 LYS 7 -1.526 -16.040 -0.908 65 H GLU 8 HN GLU 8 -1.294 -7.395 0.921 66 HA GLU 8 HA GLU 8 -1.012 -6.032 2.767 67 1HB GLU 8 HB2 GLU 8 -1.369 -7.107 4.705 68 2HB GLU 8 HB3 GLU 8 -1.330 -8.592 3.724 69 1HG GLU 8 HG2 GLU 8 1.095 -8.694 3.941 70 2HG GLU 8 HG3 GLU 8 1.077 -7.281 4.991 71 H THR 9 HN THR 9 1.618 -8.315 2.053 72 HA THR 9 HA THR 9 3.593 -6.441 3.126 73 HB THR 9 HB THR 9 5.181 -8.256 2.455 74 HG1 THR 9 HG1 THR 9 3.083 -9.936 1.834 75 1HG2 THR 9 HG22 THR 9 3.020 -8.247 4.302 76 2HG2 THR 9 HG23 THR 9 3.275 -9.911 3.772 77 3HG2 THR 9 HG21 THR 9 4.609 -8.998 4.490 78 H ALA 10 HN ALA 10 2.284 -7.446 0.029 79 HA ALA 10 HA ALA 10 4.153 -6.365 -1.808 80 1HB ALA 10 HB2 ALA 10 1.726 -7.377 -2.223 81 2HB ALA 10 HB3 ALA 10 1.211 -5.701 -2.026 82 3HB ALA 10 HB1 ALA 10 2.330 -6.128 -3.320 83 H CYS 11 HN CYS 11 1.742 -4.973 0.254 84 HA CYS 11 HA CYS 11 1.961 -2.232 -0.522 85 1HB CYS 11 HB2 CYS 11 0.890 -3.640 1.962 86 2HB CYS 11 HB3 CYS 11 0.496 -1.979 1.470 87 H ARG 12 HN ARG 12 3.203 -3.801 2.488 88 HA ARG 12 HA ARG 12 4.705 -1.581 3.350 89 1HB ARG 12 HB2 ARG 12 4.291 -3.975 4.394 90 2HB ARG 12 HB3 ARG 12 5.878 -4.307 3.688 91 1HG ARG 12 HG2 ARG 12 6.603 -2.080 4.788 92 2HG ARG 12 HG3 ARG 12 5.141 -2.251 5.761 93 1HD ARG 12 HD2 ARG 12 5.904 -4.511 6.470 94 2HD ARG 12 HD3 ARG 12 7.400 -4.264 5.568 95 HE ARG 12 HE ARG 12 7.811 -2.301 7.127 96 1HH1 ARG 12 HH22 ARG 12 4.894 -3.384 8.133 97 2HH1 ARG 12 HH21 ARG 12 5.361 -3.799 9.749 98 1HH2 ARG 12 HH12 ARG 12 8.759 -3.470 9.135 99 2HH2 ARG 12 HH11 ARG 12 7.548 -3.848 10.316 100 H HIS 13 HN HIS 13 5.272 -3.618 0.638 101 HA HIS 13 HA HIS 13 8.122 -3.149 0.441 102 1HB HIS 13 HB2 HIS 13 7.531 -4.912 -0.956 103 2HB HIS 13 HB3 HIS 13 5.910 -4.293 -1.194 104 HD1 HIS 13 HD1 HIS 13 5.487 -2.899 -3.294 105 HD2 HIS 13 HD2 HIS 13 9.512 -3.855 -2.776 106 HE1 HIS 13 HE1 HIS 13 6.655 -2.257 -5.443 107 H ALA 14 HN ALA 14 5.188 -1.763 -0.959 108 HA ALA 14 HA ALA 14 6.503 0.508 -2.214 109 1HB ALA 14 HB1 ALA 14 3.697 -0.323 -1.593 110 2HB ALA 14 HB2 ALA 14 4.004 1.347 -2.083 111 3HB ALA 14 HB3 ALA 14 4.443 0.013 -3.157 112 H LYS 15 HN LYS 15 5.443 -0.040 1.145 113 HA LYS 15 HA LYS 15 5.218 2.805 1.757 114 1HB LYS 15 HB2 LYS 15 4.085 1.566 3.395 115 2HB LYS 15 HB3 LYS 15 5.235 0.233 3.316 116 1HG LYS 15 HG2 LYS 15 5.405 1.503 5.416 117 2HG LYS 15 HG3 LYS 15 6.899 1.528 4.478 118 1HD LYS 15 HD2 LYS 15 5.838 3.742 3.472 119 2HD LYS 15 HD3 LYS 15 4.954 3.745 4.998 120 1HE LYS 15 HE2 LYS 15 7.837 3.186 5.264 121 2HE LYS 15 HE3 LYS 15 7.456 4.805 4.679 122 1HZ LYS 15 HZ2 LYS 15 5.874 3.804 6.910 123 2HZ LYS 15 HZ3 LYS 15 7.495 4.192 7.244 124 3HZ LYS 15 HZ1 LYS 15 6.459 5.372 6.610 125 H SER 16 HN SER 16 7.778 0.233 2.139 126 HA SER 16 HA SER 16 9.668 2.271 3.137 127 1HB SER 16 HB2 SER 16 9.952 -0.678 2.613 128 2HB SER 16 HB3 SER 16 11.156 0.342 3.387 129 HG SER 16 HG SER 16 9.917 -0.601 5.003 130 H LEU 17 HN LEU 17 8.685 1.621 0.046 131 HA LEU 17 HA LEU 17 11.511 1.693 -0.881 132 1HB LEU 17 HB2 LEU 17 10.987 0.330 -2.675 133 2HB LEU 17 HB3 LEU 17 9.910 -0.265 -1.424 134 HG LEU 17 HG LEU 17 8.184 1.376 -2.413 135 1HD1 LEU 17 HD11 LEU 17 10.534 1.722 -4.073 136 2HD1 LEU 17 HD12 LEU 17 9.177 1.170 -5.068 137 3HD1 LEU 17 HD13 LEU 17 9.037 2.650 -4.111 138 1HD2 LEU 17 HD22 LEU 17 8.821 -1.257 -2.617 139 2HD2 LEU 17 HD23 LEU 17 7.393 -0.600 -3.399 140 3HD2 LEU 17 HD21 LEU 17 8.886 -0.807 -4.320 141 H GLY 18 HN GLY 18 8.381 3.314 -1.429 142 1HA GLY 18 HA1 GLY 18 9.194 5.839 -1.765 143 2HA GLY 18 HA2 GLY 18 9.810 5.151 -3.268 144 H ASN 19 HN ASN 19 7.464 3.250 -3.314 145 HA ASN 19 HA ASN 19 5.678 4.830 -4.944 146 1HB ASN 19 HB2 ASN 19 4.922 2.183 -3.889 147 2HB ASN 19 HB3 ASN 19 4.744 2.853 -5.444 148 1HD2 ASN 19 HD22 ASN 19 7.487 0.222 -5.319 149 2HD2 ASN 19 HD21 ASN 19 5.952 0.256 -4.586 150 H CYS 20 HN CYS 20 5.862 4.257 -1.575 151 HA CYS 20 HA CYS 20 3.441 3.698 -0.506 152 1HB CYS 20 HB2 CYS 20 4.687 4.515 1.218 153 2HB CYS 20 HB3 CYS 20 5.441 5.769 0.214 154 H ARG 21 HN ARG 21 4.206 6.811 -2.009 155 HA ARG 21 HA ARG 21 1.253 7.298 -2.309 156 1HB ARG 21 HB2 ARG 21 3.234 8.817 -0.961 157 2HB ARG 21 HB3 ARG 21 2.629 9.737 -2.343 158 1HG ARG 21 HG2 ARG 21 0.562 10.004 -1.433 159 2HG ARG 21 HG3 ARG 21 0.503 8.321 -0.900 160 1HD ARG 21 HD2 ARG 21 0.476 9.667 1.092 161 2HD ARG 21 HD3 ARG 21 2.091 8.968 0.972 162 HE ARG 21 HE ARG 21 2.935 11.150 0.713 163 1HH1 ARG 21 HH22 ARG 21 1.982 12.311 -1.598 164 2HH1 ARG 21 HH21 ARG 21 0.760 13.444 -1.126 165 1HH2 ARG 21 HH12 ARG 21 0.312 12.053 2.018 166 2HH2 ARG 21 HH11 ARG 21 -0.186 13.297 0.920 167 H THR 22 HN THR 22 4.044 6.754 -4.072 168 HA THR 22 HA THR 22 3.274 8.683 -6.197 169 HB THR 22 HB THR 22 5.528 7.510 -7.162 170 HG1 THR 22 HG1 THR 22 6.416 7.794 -4.628 171 1HG2 THR 22 HG21 THR 22 5.230 9.797 -5.211 172 2HG2 THR 22 HG22 THR 22 6.727 9.453 -6.079 173 3HG2 THR 22 HG23 THR 22 5.268 9.883 -6.973 174 H SER 23 HN SER 23 2.798 5.394 -5.354 175 HA SER 23 HA SER 23 2.385 4.773 -8.241 176 1HB SER 23 HB2 SER 23 3.941 3.236 -7.189 177 2HB SER 23 HB3 SER 23 2.917 3.076 -5.780 178 HG SER 23 HG SER 23 2.224 2.306 -8.442 179 H GLN 24 HN GLN 24 0.154 3.324 -8.434 180 HA GLN 24 HA GLN 24 -1.708 4.863 -6.728 181 1HB GLN 24 HB2 GLN 24 -2.339 3.135 -9.126 182 2HB GLN 24 HB3 GLN 24 -3.485 4.159 -8.258 183 1HG GLN 24 HG2 GLN 24 -0.982 5.470 -9.175 184 2HG GLN 24 HG3 GLN 24 -2.140 5.021 -10.429 185 1HE2 GLN 24 HE22 GLN 24 -3.551 8.216 -9.655 186 2HE2 GLN 24 HE21 GLN 24 -2.531 7.396 -10.735 187 H LYS 25 HN LYS 25 -1.426 1.342 -7.601 188 HA LYS 25 HA LYS 25 -3.402 0.636 -5.601 189 1HB LYS 25 HB2 LYS 25 -1.920 -0.698 -7.584 190 2HB LYS 25 HB3 LYS 25 -1.369 -1.401 -6.060 191 1HG LYS 25 HG2 LYS 25 -3.371 -2.367 -5.616 192 2HG LYS 25 HG3 LYS 25 -4.277 -0.992 -6.252 193 1HD LYS 25 HD2 LYS 25 -4.080 -1.745 -8.490 194 2HD LYS 25 HD3 LYS 25 -2.797 -2.887 -8.082 195 1HE LYS 25 HE2 LYS 25 -4.584 -3.984 -6.537 196 2HE LYS 25 HE3 LYS 25 -5.746 -3.090 -7.518 197 1HZ LYS 25 HZ3 LYS 25 -4.127 -4.172 -9.378 198 2HZ LYS 25 HZ1 LYS 25 -4.145 -5.391 -8.201 199 3HZ LYS 25 HZ2 LYS 25 -5.607 -4.840 -8.872 200 H TYR 26 HN TYR 26 -0.003 0.791 -5.809 201 HA TYR 26 HA TYR 26 1.091 -0.147 -3.401 202 1HB TYR 26 HB2 TYR 26 1.619 1.758 -5.552 203 2HB TYR 26 HB3 TYR 26 2.723 1.797 -4.169 204 HD1 TYR 26 HD1 TYR 26 1.069 -1.403 -4.747 205 HD2 TYR 26 HD2 TYR 26 4.449 1.014 -5.833 206 HE1 TYR 26 HE1 TYR 26 2.201 -3.380 -5.558 207 HE2 TYR 26 HE2 TYR 26 5.622 -0.982 -6.662 208 HH TYR 26 HH TYR 26 4.624 -3.449 -7.599 209 H ARG 27 HN ARG 27 -0.707 2.882 -3.935 210 HA ARG 27 HA ARG 27 0.220 3.832 -1.269 211 1HB ARG 27 HB2 ARG 27 -0.121 6.062 -2.038 212 2HB ARG 27 HB3 ARG 27 0.434 5.228 -3.492 213 1HG ARG 27 HG2 ARG 27 -1.757 5.030 -4.329 214 2HG ARG 27 HG3 ARG 27 -2.479 5.598 -2.796 215 1HD ARG 27 HD2 ARG 27 -0.717 7.200 -4.679 216 2HD ARG 27 HD3 ARG 27 -2.451 7.418 -4.447 217 HE ARG 27 HE ARG 27 -0.334 8.254 -2.574 218 1HH1 ARG 27 HH22 ARG 27 -2.796 6.763 -1.357 219 2HH1 ARG 27 HH21 ARG 27 -3.752 8.123 -0.870 220 1HH2 ARG 27 HH12 ARG 27 -1.937 10.406 -2.745 221 2HH2 ARG 27 HH11 ARG 27 -3.266 10.186 -1.657 222 H ALA 28 HN ALA 28 -2.618 3.462 -3.315 223 HA ALA 28 HA ALA 28 -4.471 3.812 -1.053 224 1HB ALA 28 HB2 ALA 28 -4.911 3.144 -3.986 225 2HB ALA 28 HB3 ALA 28 -6.216 3.332 -2.815 226 3HB ALA 28 HB1 ALA 28 -5.181 4.705 -3.209 227 H ASN 29 HN ASN 29 -3.851 1.218 -3.480 228 HA ASN 29 HA ASN 29 -5.260 -0.747 -1.963 229 1HB ASN 29 HB2 ASN 29 -3.343 -0.900 -4.238 230 2HB ASN 29 HB3 ASN 29 -3.598 -2.369 -3.301 231 1HD2 ASN 29 HD22 ASN 29 -6.856 -0.786 -5.269 232 2HD2 ASN 29 HD21 ASN 29 -5.629 0.260 -4.740 233 H CYS 30 HN CYS 30 -2.313 0.739 -1.383 234 HA CYS 30 HA CYS 30 -1.648 -1.358 0.618 235 1HB CYS 30 HB2 CYS 30 0.156 0.082 -1.359 236 2HB CYS 30 HB3 CYS 30 0.792 -0.849 0.020 237 H ALA 31 HN ALA 31 -3.238 0.835 0.811 238 HA ALA 31 HA ALA 31 -1.952 3.167 1.910 239 1HB ALA 31 HB3 ALA 31 -4.705 2.105 1.487 240 2HB ALA 31 HB1 ALA 31 -4.528 3.349 2.722 241 3HB ALA 31 HB2 ALA 31 -4.043 3.675 1.054 242 H LYS 32 HN LYS 32 -2.467 0.047 3.099 243 HA LYS 32 HA LYS 32 -2.884 0.804 5.921 244 1HB LYS 32 HB2 LYS 32 -3.777 -1.290 5.803 245 2HB LYS 32 HB3 LYS 32 -2.975 -1.617 4.271 246 1HG LYS 32 HG2 LYS 32 -1.403 -1.655 6.842 247 2HG LYS 32 HG3 LYS 32 -2.344 -3.058 6.353 248 1HD LYS 32 HD2 LYS 32 -1.034 -2.471 4.024 249 2HD LYS 32 HD3 LYS 32 0.167 -1.997 5.223 250 1HE LYS 32 HE2 LYS 32 -1.026 -4.705 4.717 251 2HE LYS 32 HE3 LYS 32 0.664 -4.280 4.949 252 1HZ LYS 32 HZ3 LYS 32 -0.198 -3.561 7.289 253 2HZ LYS 32 HZ1 LYS 32 -1.456 -4.643 6.948 254 3HZ LYS 32 HZ2 LYS 32 0.154 -5.192 6.960 255 H THR 33 HN THR 33 -0.407 0.053 3.614 256 HA THR 33 HA THR 33 1.748 -0.283 5.575 257 HB THR 33 HB THR 33 1.031 -1.226 3.069 258 HG1 THR 33 HG1 THR 33 2.284 -2.137 4.792 259 1HG2 THR 33 HG22 THR 33 2.532 1.065 2.506 260 2HG2 THR 33 HG23 THR 33 3.681 -0.289 2.437 261 3HG2 THR 33 HG21 THR 33 2.244 -0.298 1.433 262 H CYS 34 HN CYS 34 0.287 2.240 3.794 263 HA CYS 34 HA CYS 34 2.540 3.992 4.698 264 1HB CYS 34 HB2 CYS 34 1.931 3.759 2.086 265 2HB CYS 34 HB3 CYS 34 0.754 4.948 2.531 266 H GLU 35 HN GLU 35 -0.632 3.219 5.315 267 HA GLU 35 HA GLU 35 -2.249 4.228 6.563 268 1HB GLU 35 HB2 GLU 35 -0.006 6.189 7.074 269 2HB GLU 35 HB3 GLU 35 -1.575 6.241 7.925 270 1HG GLU 35 HG2 GLU 35 -1.298 4.238 8.952 271 2HG GLU 35 HG3 GLU 35 -0.356 3.584 7.613 272 H LEU 36 HN LEU 36 -2.051 4.667 3.788 273 HA LEU 36 HA LEU 36 -3.004 7.392 3.221 274 1HB LEU 36 HB2 LEU 36 -2.724 4.850 1.657 275 2HB LEU 36 HB3 LEU 36 -3.306 6.292 0.883 276 HG LEU 36 HG LEU 36 -0.704 6.065 2.367 277 1HD1 LEU 36 HD13 LEU 36 -1.410 5.786 -0.552 278 2HD1 LEU 36 HD11 LEU 36 0.161 6.438 -0.099 279 3HD1 LEU 36 HD12 LEU 36 -0.298 4.812 0.408 280 1HD2 LEU 36 HD23 LEU 36 -2.242 8.300 1.362 281 2HD2 LEU 36 HD21 LEU 36 -0.764 8.321 2.323 282 3HD2 LEU 36 HD22 LEU 36 -0.671 8.237 0.563 283 H CYS 37 HN CYS 37 -4.284 4.552 4.600 284 HA CYS 37 HA CYS 37 -6.789 4.284 3.302 285 1HB CYS 37 HB2 CYS 37 -6.711 2.623 4.847 286 2HB CYS 37 HB3 CYS 37 -5.613 3.531 5.886 No H/Q in entry = 286 Start of MODEL 5 1 1H VAL 1 HN2 VAL 1 -13.923 2.540 1.362 2 2H VAL 1 HN VAL 1 -14.969 1.222 1.604 3 3H VAL 1 HN3 VAL 1 -15.153 2.626 2.533 4 HA VAL 1 HA VAL 1 -13.495 2.105 3.945 5 HB VAL 1 HB VAL 1 -13.988 -0.606 2.675 6 1HG1 VAL 1 HG11 VAL 1 -12.064 -0.182 4.407 7 2HG1 VAL 1 HG12 VAL 1 -13.384 -0.086 5.573 8 3HG1 VAL 1 HG13 VAL 1 -13.142 -1.560 4.634 9 1HG2 VAL 1 HG22 VAL 1 -15.457 0.905 4.862 10 2HG2 VAL 1 HG23 VAL 1 -16.101 0.462 3.280 11 3HG2 VAL 1 HG21 VAL 1 -15.735 -0.791 4.467 12 H CYS 2 HN CYS 2 -11.396 2.730 3.692 13 HA CYS 2 HA CYS 2 -9.871 1.827 1.350 14 1HB CYS 2 HB2 CYS 2 -8.058 3.271 2.355 15 2HB CYS 2 HB3 CYS 2 -9.563 4.131 2.029 16 H ARG 3 HN ARG 3 -7.495 1.060 1.878 17 HA ARG 3 HA ARG 3 -6.476 -0.074 4.112 18 1HB ARG 3 HB2 ARG 3 -7.322 -2.497 3.978 19 2HB ARG 3 HB3 ARG 3 -8.427 -1.328 4.698 20 1HG ARG 3 HG2 ARG 3 -9.962 -1.669 3.090 21 2HG ARG 3 HG3 ARG 3 -8.765 -1.414 1.819 22 1HD ARG 3 HD2 ARG 3 -9.571 -3.660 1.554 23 2HD ARG 3 HD3 ARG 3 -7.956 -3.780 2.251 24 HE ARG 3 HE ARG 3 -9.029 -4.947 3.985 25 1HH1 ARG 3 HH22 ARG 3 -9.885 -2.820 5.617 26 2HH1 ARG 3 HH21 ARG 3 -11.615 -2.852 5.561 27 1HH2 ARG 3 HH12 ARG 3 -11.752 -4.804 2.697 28 2HH2 ARG 3 HH11 ARG 3 -12.672 -3.976 3.909 29 H ASP 4 HN ASP 4 -5.543 -2.565 3.398 30 HA ASP 4 HA ASP 4 -4.010 -1.898 0.984 31 1HB ASP 4 HB2 ASP 4 -2.604 -3.736 1.551 32 2HB ASP 4 HB3 ASP 4 -3.081 -3.059 3.110 33 H TRP 5 HN TRP 5 -3.671 -4.211 -0.450 34 HA TRP 5 HA TRP 5 -6.318 -5.439 -0.798 35 1HB TRP 5 HB2 TRP 5 -5.240 -3.291 -2.543 36 2HB TRP 5 HB3 TRP 5 -5.977 -4.663 -3.386 37 HD1 TRP 5 HD1 TRP 5 -7.007 -1.460 -1.967 38 HE1 TRP 5 HE1 TRP 5 -9.497 -1.453 -1.381 39 HE3 TRP 5 HE3 TRP 5 -7.981 -6.473 -2.175 40 HZ2 TRP 5 HZ2 TRP 5 -11.648 -3.315 -1.036 41 HZ3 TRP 5 HZ3 TRP 5 -10.258 -7.322 -1.711 42 HH2 TRP 5 HH2 TRP 5 -12.092 -5.759 -1.144 43 H PHE 6 HN PHE 6 -2.838 -5.196 -1.816 44 HA PHE 6 HA PHE 6 -2.997 -7.775 -3.207 45 1HB PHE 6 HB2 PHE 6 -0.591 -6.226 -2.153 46 2HB PHE 6 HB3 PHE 6 -0.573 -7.492 -3.376 47 HD1 PHE 6 HD1 PHE 6 -3.162 -6.487 -4.766 48 HD2 PHE 6 HD2 PHE 6 0.467 -4.590 -3.473 49 HE1 PHE 6 HE1 PHE 6 -3.455 -4.789 -6.479 50 HE2 PHE 6 HE2 PHE 6 0.197 -2.873 -5.185 51 HZ PHE 6 HZ PHE 6 -1.764 -2.950 -6.706 52 H LYS 7 HN LYS 7 -0.336 -8.516 -1.782 53 HA LYS 7 HA LYS 7 -1.571 -9.716 0.599 54 1HB LYS 7 HB2 LYS 7 1.337 -9.620 -0.353 55 2HB LYS 7 HB3 LYS 7 0.757 -10.604 0.991 56 1HG LYS 7 HG2 LYS 7 -0.304 -10.846 -1.834 57 2HG LYS 7 HG3 LYS 7 0.978 -11.866 -1.180 58 1HD LYS 7 HD2 LYS 7 -1.015 -11.958 0.769 59 2HD LYS 7 HD3 LYS 7 -1.899 -12.036 -0.757 60 1HE LYS 7 HE2 LYS 7 0.239 -13.723 -1.215 61 2HE LYS 7 HE3 LYS 7 -0.142 -14.032 0.479 62 1HZ LYS 7 HZ1 LYS 7 -2.577 -13.907 -0.724 63 2HZ LYS 7 HZ2 LYS 7 -1.620 -14.711 -1.876 64 3HZ LYS 7 HZ3 LYS 7 -1.758 -15.326 -0.298 65 H GLU 8 HN GLU 8 -1.051 -8.913 2.781 66 HA GLU 8 HA GLU 8 -0.786 -6.123 3.100 67 1HB GLU 8 HB2 GLU 8 -0.027 -8.396 4.948 68 2HB GLU 8 HB3 GLU 8 -0.070 -6.710 5.459 69 1HG GLU 8 HG2 GLU 8 -2.377 -6.571 5.295 70 2HG GLU 8 HG3 GLU 8 -2.470 -7.839 4.071 71 H THR 9 HN THR 9 1.752 -8.342 2.221 72 HA THR 9 HA THR 9 3.764 -6.428 3.185 73 HB THR 9 HB THR 9 5.352 -8.223 2.328 74 HG1 THR 9 HG1 THR 9 3.553 -9.023 0.887 75 1HG2 THR 9 HG23 THR 9 3.458 -8.123 4.503 76 2HG2 THR 9 HG21 THR 9 3.900 -9.794 4.144 77 3HG2 THR 9 HG22 THR 9 5.157 -8.611 4.530 78 H ALA 10 HN ALA 10 2.276 -7.409 0.145 79 HA ALA 10 HA ALA 10 4.094 -6.312 -1.749 80 1HB ALA 10 HB2 ALA 10 1.652 -7.286 -2.168 81 2HB ALA 10 HB3 ALA 10 1.142 -5.632 -1.839 82 3HB ALA 10 HB1 ALA 10 2.209 -5.964 -3.199 83 H CYS 11 HN CYS 11 1.706 -4.964 0.339 84 HA CYS 11 HA CYS 11 1.958 -2.203 -0.337 85 1HB CYS 11 HB2 CYS 11 0.970 -3.624 2.191 86 2HB CYS 11 HB3 CYS 11 0.512 -1.990 1.648 87 H ARG 12 HN ARG 12 3.113 -3.862 2.621 88 HA ARG 12 HA ARG 12 4.774 -1.958 3.725 89 1HB ARG 12 HB2 ARG 12 4.971 -3.854 4.978 90 2HB ARG 12 HB3 ARG 12 4.893 -4.919 3.567 91 1HG ARG 12 HG2 ARG 12 7.155 -4.598 3.033 92 2HG ARG 12 HG3 ARG 12 7.285 -3.151 4.036 93 1HD ARG 12 HD2 ARG 12 6.490 -5.602 5.488 94 2HD ARG 12 HD3 ARG 12 8.128 -5.621 4.834 95 HE ARG 12 HE ARG 12 7.123 -3.491 6.680 96 1HH1 ARG 12 HH22 ARG 12 9.748 -3.722 4.827 97 2HH1 ARG 12 HH21 ARG 12 10.918 -3.927 6.087 98 1HH2 ARG 12 HH12 ARG 12 8.553 -4.530 8.549 99 2HH2 ARG 12 HH11 ARG 12 10.241 -4.384 8.195 100 H HIS 13 HN HIS 13 5.341 -3.633 0.678 101 HA HIS 13 HA HIS 13 8.126 -2.838 0.540 102 1HB HIS 13 HB2 HIS 13 6.740 -4.572 -0.941 103 2HB HIS 13 HB3 HIS 13 6.384 -3.142 -1.913 104 HD1 HIS 13 HD1 HIS 13 7.968 -3.089 -3.835 105 HD2 HIS 13 HD2 HIS 13 9.861 -4.307 -0.327 106 HE1 HIS 13 HE1 HIS 13 10.411 -3.376 -4.409 107 H ALA 14 HN ALA 14 5.203 -1.656 -1.121 108 HA ALA 14 HA ALA 14 6.207 0.746 -2.121 109 1HB ALA 14 HB1 ALA 14 3.455 0.185 -1.005 110 2HB ALA 14 HB2 ALA 14 3.878 1.623 -1.965 111 3HB ALA 14 HB3 ALA 14 3.993 0.021 -2.681 112 H LYS 15 HN LYS 15 5.072 0.373 1.330 113 HA LYS 15 HA LYS 15 5.508 3.176 1.846 114 1HB LYS 15 HB2 LYS 15 4.253 2.268 3.549 115 2HB LYS 15 HB3 LYS 15 5.059 0.713 3.488 116 1HG LYS 15 HG2 LYS 15 5.616 1.854 5.546 117 2HG LYS 15 HG3 LYS 15 7.049 1.699 4.533 118 1HD LYS 15 HD2 LYS 15 7.166 3.967 4.109 119 2HD LYS 15 HD3 LYS 15 5.419 4.186 4.246 120 1HE LYS 15 HE2 LYS 15 7.001 3.415 6.676 121 2HE LYS 15 HE3 LYS 15 6.984 5.097 6.147 122 1HZ LYS 15 HZ3 LYS 15 4.385 4.431 5.998 123 2HZ LYS 15 HZ1 LYS 15 4.879 3.512 7.332 124 3HZ LYS 15 HZ2 LYS 15 5.109 5.196 7.333 125 H SER 16 HN SER 16 7.603 0.240 2.447 126 HA SER 16 HA SER 16 9.878 1.939 3.201 127 1HB SER 16 HB2 SER 16 9.513 -1.010 2.790 128 2HB SER 16 HB3 SER 16 10.995 -0.263 3.367 129 HG SER 16 HG SER 16 8.415 -0.340 4.564 130 H LEU 17 HN LEU 17 8.686 1.498 0.169 131 HA LEU 17 HA LEU 17 11.415 0.906 -0.868 132 1HB LEU 17 HB2 LEU 17 10.524 -0.318 -2.637 133 2HB LEU 17 HB3 LEU 17 9.438 -0.681 -1.306 134 HG LEU 17 HG LEU 17 7.995 1.211 -2.179 135 1HD1 LEU 17 HD13 LEU 17 10.219 1.460 -3.893 136 2HD1 LEU 17 HD11 LEU 17 8.926 0.800 -4.902 137 3HD1 LEU 17 HD12 LEU 17 8.680 2.319 -4.032 138 1HD2 LEU 17 HD22 LEU 17 8.065 -1.420 -2.372 139 2HD2 LEU 17 HD23 LEU 17 6.820 -0.556 -3.244 140 3HD2 LEU 17 HD21 LEU 17 8.282 -1.088 -4.086 141 H GLY 18 HN GLY 18 8.717 3.168 -1.328 142 1HA GLY 18 HA1 GLY 18 10.148 5.406 -1.873 143 2HA GLY 18 HA2 GLY 18 10.265 4.555 -3.417 144 H ASN 19 HN ASN 19 7.567 3.332 -2.949 145 HA ASN 19 HA ASN 19 6.081 5.400 -4.245 146 1HB ASN 19 HB2 ASN 19 4.580 2.945 -3.362 147 2HB ASN 19 HB3 ASN 19 4.645 3.779 -4.829 148 1HD2 ASN 19 HD22 ASN 19 6.713 0.518 -4.767 149 2HD2 ASN 19 HD21 ASN 19 5.368 0.867 -3.787 150 H CYS 20 HN CYS 20 4.941 3.603 -1.343 151 HA CYS 20 HA CYS 20 3.365 4.433 0.229 152 1HB CYS 20 HB2 CYS 20 5.806 4.843 1.051 153 2HB CYS 20 HB3 CYS 20 5.369 6.537 0.760 154 H ARG 21 HN ARG 21 2.061 5.365 -1.503 155 HA ARG 21 HA ARG 21 0.380 7.081 -1.759 156 1HB ARG 21 HB2 ARG 21 1.730 8.177 0.197 157 2HB ARG 21 HB3 ARG 21 2.286 9.225 -1.119 158 1HG ARG 21 HG2 ARG 21 -0.613 8.665 -1.141 159 2HG ARG 21 HG3 ARG 21 -0.073 9.629 0.239 160 1HD ARG 21 HD2 ARG 21 1.262 10.949 -1.635 161 2HD ARG 21 HD3 ARG 21 0.001 10.291 -2.679 162 HE ARG 21 HE ARG 21 -1.607 11.635 -1.528 163 1HH1 ARG 21 HH12 ARG 21 1.461 12.808 -1.124 164 2HH1 ARG 21 HH11 ARG 21 1.148 13.685 0.337 165 1HH2 ARG 21 HH22 ARG 21 -1.996 12.304 0.807 166 2HH2 ARG 21 HH21 ARG 21 -0.808 13.400 1.429 167 H THR 22 HN THR 22 3.284 6.671 -3.285 168 HA THR 22 HA THR 22 2.669 8.804 -5.276 169 HB THR 22 HB THR 22 4.886 8.840 -5.959 170 HG1 THR 22 HG1 THR 22 6.273 7.101 -5.686 171 1HG2 THR 22 HG21 THR 22 4.599 8.429 -3.043 172 2HG2 THR 22 HG22 THR 22 6.229 8.226 -3.676 173 3HG2 THR 22 HG23 THR 22 5.366 9.738 -3.939 174 H SER 23 HN SER 23 1.877 5.624 -4.860 175 HA SER 23 HA SER 23 1.967 5.237 -7.816 176 1HB SER 23 HB2 SER 23 2.955 3.510 -5.642 177 2HB SER 23 HB3 SER 23 1.770 2.686 -6.653 178 HG SER 23 HG SER 23 4.239 3.883 -7.342 179 H GLN 24 HN GLN 24 -0.065 4.160 -8.634 180 HA GLN 24 HA GLN 24 -2.323 5.170 -7.180 181 1HB GLN 24 HB2 GLN 24 -2.486 3.061 -9.334 182 2HB GLN 24 HB3 GLN 24 -3.690 4.280 -8.908 183 1HG GLN 24 HG2 GLN 24 -1.217 5.605 -9.500 184 2HG GLN 24 HG3 GLN 24 -1.604 4.504 -10.825 185 1HE2 GLN 24 HE22 GLN 24 -3.607 7.219 -11.986 186 2HE2 GLN 24 HE21 GLN 24 -2.133 6.404 -12.195 187 H LYS 25 HN LYS 25 -1.821 1.685 -7.986 188 HA LYS 25 HA LYS 25 -3.656 0.879 -5.959 189 1HB LYS 25 HB2 LYS 25 -2.090 -0.414 -7.882 190 2HB LYS 25 HB3 LYS 25 -1.523 -1.071 -6.340 191 1HG LYS 25 HG2 LYS 25 -3.435 -2.205 -6.000 192 2HG LYS 25 HG3 LYS 25 -4.413 -0.793 -6.348 193 1HD LYS 25 HD2 LYS 25 -4.487 -1.242 -8.661 194 2HD LYS 25 HD3 LYS 25 -3.100 -2.332 -8.585 195 1HE LYS 25 HE2 LYS 25 -4.874 -3.522 -6.842 196 2HE LYS 25 HE3 LYS 25 -5.941 -2.895 -8.098 197 1HZ LYS 25 HZ2 LYS 25 -3.498 -4.236 -8.960 198 2HZ LYS 25 HZ3 LYS 25 -4.731 -5.216 -8.318 199 3HZ LYS 25 HZ1 LYS 25 -5.045 -4.239 -9.665 200 H TYR 26 HN TYR 26 -0.077 0.854 -5.840 201 HA TYR 26 HA TYR 26 0.453 0.102 -3.255 202 1HB TYR 26 HB2 TYR 26 1.527 2.402 -4.819 203 2HB TYR 26 HB3 TYR 26 2.233 1.887 -3.290 204 HD1 TYR 26 HD2 TYR 26 0.827 -1.057 -4.578 205 HD2 TYR 26 HD1 TYR 26 4.119 1.643 -5.277 206 HE1 TYR 26 HE2 TYR 26 2.006 -2.811 -5.647 207 HE2 TYR 26 HE1 TYR 26 5.344 -0.190 -6.394 208 HH TYR 26 HH TYR 26 4.214 -2.663 -7.664 209 H ARG 27 HN ARG 27 -0.592 3.456 -4.198 210 HA ARG 27 HA ARG 27 -0.514 4.327 -1.493 211 1HB ARG 27 HB2 ARG 27 -1.257 6.411 -2.256 212 2HB ARG 27 HB3 ARG 27 -0.609 5.721 -3.753 213 1HG ARG 27 HG2 ARG 27 -2.795 5.041 -4.415 214 2HG ARG 27 HG3 ARG 27 -3.484 5.608 -2.863 215 1HD ARG 27 HD2 ARG 27 -2.535 7.156 -5.235 216 2HD ARG 27 HD3 ARG 27 -3.909 7.472 -4.174 217 HE ARG 27 HE ARG 27 -1.086 7.957 -3.300 218 1HH1 ARG 27 HH22 ARG 27 -2.884 8.361 -1.114 219 2HH1 ARG 27 HH21 ARG 27 -3.412 10.002 -1.273 220 1HH2 ARG 27 HH12 ARG 27 -2.421 10.277 -4.585 221 2HH2 ARG 27 HH11 ARG 27 -3.148 11.088 -3.240 222 H ALA 28 HN ALA 28 -3.328 3.480 -3.541 223 HA ALA 28 HA ALA 28 -5.087 3.504 -1.184 224 1HB ALA 28 HB1 ALA 28 -5.454 3.642 -3.995 225 2HB ALA 28 HB2 ALA 28 -6.216 2.139 -3.477 226 3HB ALA 28 HB3 ALA 28 -6.712 3.671 -2.759 227 H ASN 29 HN ASN 29 -4.435 1.010 -3.626 228 HA ASN 29 HA ASN 29 -5.231 -1.229 -2.165 229 1HB ASN 29 HB2 ASN 29 -3.443 -0.766 -4.469 230 2HB ASN 29 HB3 ASN 29 -3.270 -2.320 -3.643 231 1HD2 ASN 29 HD22 ASN 29 -7.009 -1.482 -5.162 232 2HD2 ASN 29 HD21 ASN 29 -6.089 -0.216 -4.503 233 H CYS 30 HN CYS 30 -2.468 0.696 -1.458 234 HA CYS 30 HA CYS 30 -1.802 -1.345 0.574 235 1HB CYS 30 HB2 CYS 30 0.149 -0.150 -1.432 236 2HB CYS 30 HB3 CYS 30 0.683 -0.900 0.080 237 H ALA 31 HN ALA 31 -3.307 0.674 0.941 238 HA ALA 31 HA ALA 31 -2.015 3.103 1.863 239 1HB ALA 31 HB1 ALA 31 -4.690 2.068 1.340 240 2HB ALA 31 HB2 ALA 31 -4.631 3.039 2.812 241 3HB ALA 31 HB3 ALA 31 -4.101 3.730 1.277 242 H LYS 32 HN LYS 32 -2.212 0.052 3.168 243 HA LYS 32 HA LYS 32 -2.750 0.794 5.975 244 1HB LYS 32 HB2 LYS 32 -2.659 -1.525 6.389 245 2HB LYS 32 HB3 LYS 32 -3.280 -1.437 4.739 246 1HG LYS 32 HG2 LYS 32 -1.065 -1.912 3.844 247 2HG LYS 32 HG3 LYS 32 -0.366 -1.863 5.456 248 1HD LYS 32 HD2 LYS 32 -2.353 -3.741 5.756 249 2HD LYS 32 HD3 LYS 32 -1.801 -4.038 4.104 250 1HE LYS 32 HE2 LYS 32 0.138 -4.963 4.843 251 2HE LYS 32 HE3 LYS 32 0.456 -3.543 5.834 252 1HZ LYS 32 HZ2 LYS 32 -1.453 -5.654 6.641 253 2HZ LYS 32 HZ3 LYS 32 0.190 -5.674 7.079 254 3HZ LYS 32 HZ1 LYS 32 -0.806 -4.409 7.600 255 H THR 33 HN THR 33 -0.284 -0.190 3.875 256 HA THR 33 HA THR 33 2.026 -0.168 5.663 257 HB THR 33 HB THR 33 1.229 -1.065 3.075 258 HG1 THR 33 HG1 THR 33 2.065 -2.412 4.480 259 1HG2 THR 33 HG23 THR 33 3.135 1.021 2.722 260 2HG2 THR 33 HG21 THR 33 3.995 -0.518 2.619 261 3HG2 THR 33 HG22 THR 33 2.621 -0.199 1.577 262 H CYS 34 HN CYS 34 0.554 2.107 3.490 263 HA CYS 34 HA CYS 34 2.709 4.098 4.069 264 1HB CYS 34 HB2 CYS 34 1.811 3.630 1.706 265 2HB CYS 34 HB3 CYS 34 0.350 4.435 2.227 266 H GLU 35 HN GLU 35 -0.453 3.144 5.015 267 HA GLU 35 HA GLU 35 -1.972 4.020 6.462 268 1HB GLU 35 HB2 GLU 35 0.286 5.986 6.951 269 2HB GLU 35 HB3 GLU 35 -1.223 5.973 7.901 270 1HG GLU 35 HG2 GLU 35 -0.991 3.650 8.412 271 2HG GLU 35 HG3 GLU 35 0.445 3.519 7.403 272 H LEU 36 HN LEU 36 -1.870 4.592 3.747 273 HA LEU 36 HA LEU 36 -2.919 7.299 3.299 274 1HB LEU 36 HB2 LEU 36 -2.632 4.847 1.595 275 2HB LEU 36 HB3 LEU 36 -3.119 6.364 0.909 276 HG LEU 36 HG LEU 36 -0.569 6.035 2.506 277 1HD1 LEU 36 HD13 LEU 36 -1.021 5.888 -0.484 278 2HD1 LEU 36 HD11 LEU 36 0.569 6.023 0.262 279 3HD1 LEU 36 HD12 LEU 36 -0.431 4.592 0.538 280 1HD2 LEU 36 HD22 LEU 36 -1.572 8.332 2.234 281 2HD2 LEU 36 HD23 LEU 36 0.022 8.170 1.494 282 3HD2 LEU 36 HD21 LEU 36 -1.425 8.135 0.486 283 H CYS 37 HN CYS 37 -4.114 4.443 4.647 284 HA CYS 37 HA CYS 37 -6.787 4.729 3.395 285 1HB CYS 37 HB2 CYS 37 -6.213 2.450 3.628 286 2HB CYS 37 HB3 CYS 37 -5.519 2.697 5.231 No H/Q in entry = 286 Start of MODEL 6 1 1H VAL 1 HN2 VAL 1 -14.376 -0.324 1.211 2 2H VAL 1 HN VAL 1 -15.540 0.036 2.397 3 3H VAL 1 HN3 VAL 1 -14.895 1.279 1.444 4 HA VAL 1 HA VAL 1 -13.707 1.548 3.378 5 HB VAL 1 HB VAL 1 -14.718 -0.786 4.134 6 1HG1 VAL 1 HG13 VAL 1 -13.040 -1.892 2.473 7 2HG1 VAL 1 HG11 VAL 1 -11.843 -1.588 3.732 8 3HG1 VAL 1 HG12 VAL 1 -13.240 -2.610 4.071 9 1HG2 VAL 1 HG21 VAL 1 -13.592 0.932 5.572 10 2HG2 VAL 1 HG22 VAL 1 -13.231 -0.719 6.074 11 3HG2 VAL 1 HG23 VAL 1 -12.038 0.206 5.163 12 H CYS 2 HN CYS 2 -11.315 1.417 3.711 13 HA CYS 2 HA CYS 2 -9.979 0.547 1.188 14 1HB CYS 2 HB2 CYS 2 -8.208 2.294 1.942 15 2HB CYS 2 HB3 CYS 2 -9.728 2.893 1.279 16 H ARG 3 HN ARG 3 -7.534 0.005 1.608 17 HA ARG 3 HA ARG 3 -6.272 -0.567 3.952 18 1HB ARG 3 HB2 ARG 3 -6.935 -3.060 4.274 19 2HB ARG 3 HB3 ARG 3 -8.002 -1.828 4.947 20 1HG ARG 3 HG2 ARG 3 -9.695 -2.644 3.719 21 2HG ARG 3 HG3 ARG 3 -8.810 -2.233 2.252 22 1HD ARG 3 HD2 ARG 3 -9.412 -4.646 2.340 23 2HD ARG 3 HD3 ARG 3 -7.669 -4.391 2.288 24 HE ARG 3 HE ARG 3 -8.743 -4.624 5.001 25 1HH1 ARG 3 HH12 ARG 3 -8.585 -6.729 2.396 26 2HH1 ARG 3 HH11 ARG 3 -7.571 -7.898 3.173 27 1HH2 ARG 3 HH22 ARG 3 -6.954 -5.911 5.947 28 2HH2 ARG 3 HH21 ARG 3 -6.647 -7.435 5.185 29 H ASP 4 HN ASP 4 -4.752 -2.574 3.733 30 HA ASP 4 HA ASP 4 -3.380 -2.477 1.290 31 1HB ASP 4 HB2 ASP 4 -2.250 -4.512 1.975 32 2HB ASP 4 HB3 ASP 4 -2.558 -3.560 3.428 33 H TRP 5 HN TRP 5 -3.252 -4.341 -0.390 34 HA TRP 5 HA TRP 5 -5.863 -5.772 -0.628 35 1HB TRP 5 HB2 TRP 5 -4.855 -3.641 -2.439 36 2HB TRP 5 HB3 TRP 5 -5.660 -5.030 -3.183 37 HD1 TRP 5 HD1 TRP 5 -6.410 -1.861 -1.523 38 HE1 TRP 5 HE1 TRP 5 -8.906 -1.705 -0.875 39 HE3 TRP 5 HE3 TRP 5 -7.762 -6.711 -2.199 40 HZ2 TRP 5 HZ2 TRP 5 -11.185 -3.442 -0.672 41 HZ3 TRP 5 HZ3 TRP 5 -10.091 -7.447 -1.774 42 HH2 TRP 5 HH2 TRP 5 -11.800 -5.826 -1.015 43 H PHE 6 HN PHE 6 -2.350 -5.634 -1.354 44 HA PHE 6 HA PHE 6 -2.580 -7.838 -3.263 45 1HB PHE 6 HB2 PHE 6 -0.255 -6.541 -1.758 46 2HB PHE 6 HB3 PHE 6 -0.062 -7.745 -3.047 47 HD1 PHE 6 HD2 PHE 6 -1.496 -7.219 -5.216 48 HD2 PHE 6 HD1 PHE 6 -0.145 -4.304 -2.367 49 HE1 PHE 6 HE2 PHE 6 -1.707 -5.464 -6.916 50 HE2 PHE 6 HE1 PHE 6 -0.348 -2.546 -4.051 51 HZ PHE 6 HZ PHE 6 -1.128 -3.115 -6.329 52 H LYS 7 HN LYS 7 -0.094 -8.982 -1.578 53 HA LYS 7 HA LYS 7 -1.869 -10.501 0.250 54 1HB LYS 7 HB2 LYS 7 1.096 -10.793 -0.337 55 2HB LYS 7 HB3 LYS 7 0.174 -11.870 0.714 56 1HG LYS 7 HG2 LYS 7 -0.463 -11.363 -2.205 57 2HG LYS 7 HG3 LYS 7 0.408 -12.773 -1.599 58 1HD LYS 7 HD2 LYS 7 -1.566 -13.274 -0.124 59 2HD LYS 7 HD3 LYS 7 -2.441 -11.979 -0.945 60 1HE LYS 7 HE2 LYS 7 -2.756 -14.389 -1.837 61 2HE LYS 7 HE3 LYS 7 -2.434 -13.113 -3.011 62 1HZ LYS 7 HZ2 LYS 7 -0.326 -14.819 -1.810 63 2HZ LYS 7 HZ3 LYS 7 -1.066 -15.149 -3.304 64 3HZ LYS 7 HZ1 LYS 7 -0.157 -13.734 -3.108 65 H GLU 8 HN GLU 8 -1.461 -7.693 0.894 66 HA GLU 8 HA GLU 8 -1.140 -6.369 2.733 67 1HB GLU 8 HB2 GLU 8 -1.684 -8.875 3.646 68 2HB GLU 8 HB3 GLU 8 -0.206 -8.475 4.532 69 1HG GLU 8 HG2 GLU 8 -1.787 -6.138 4.576 70 2HG GLU 8 HG3 GLU 8 -2.898 -7.464 4.922 71 H THR 9 HN THR 9 1.585 -8.385 1.723 72 HA THR 9 HA THR 9 3.357 -6.543 3.202 73 HB THR 9 HB THR 9 5.075 -8.297 2.625 74 HG1 THR 9 HG1 THR 9 3.281 -10.188 1.980 75 1HG2 THR 9 HG23 THR 9 2.779 -8.372 4.337 76 2HG2 THR 9 HG21 THR 9 3.214 -10.020 3.881 77 3HG2 THR 9 HG22 THR 9 4.409 -8.975 4.657 78 H ALA 10 HN ALA 10 2.348 -7.534 -0.016 79 HA ALA 10 HA ALA 10 4.343 -6.337 -1.665 80 1HB ALA 10 HB1 ALA 10 1.982 -7.441 -2.323 81 2HB ALA 10 HB2 ALA 10 1.408 -5.781 -2.155 82 3HB ALA 10 HB3 ALA 10 2.656 -6.163 -3.339 83 H CYS 11 HN CYS 11 1.605 -5.150 0.108 84 HA CYS 11 HA CYS 11 1.754 -2.401 -0.551 85 1HB CYS 11 HB2 CYS 11 0.706 -3.943 1.859 86 2HB CYS 11 HB3 CYS 11 0.459 -2.196 1.661 87 H ARG 12 HN ARG 12 2.739 -3.698 2.609 88 HA ARG 12 HA ARG 12 4.268 -1.748 3.657 89 1HB ARG 12 HB2 ARG 12 4.507 -3.564 5.008 90 2HB ARG 12 HB3 ARG 12 4.595 -4.697 3.648 91 1HG ARG 12 HG2 ARG 12 6.836 -4.143 3.170 92 2HG ARG 12 HG3 ARG 12 6.805 -2.725 4.220 93 1HD ARG 12 HD2 ARG 12 6.125 -5.229 5.609 94 2HD ARG 12 HD3 ARG 12 7.765 -5.207 4.961 95 HE ARG 12 HE ARG 12 8.251 -3.813 6.789 96 1HH1 ARG 12 HH12 ARG 12 5.134 -4.085 7.393 97 2HH1 ARG 12 HH11 ARG 12 4.778 -2.417 7.691 98 1HH2 ARG 12 HH22 ARG 12 7.782 -1.271 6.391 99 2HH2 ARG 12 HH21 ARG 12 6.278 -0.823 7.124 100 H HIS 13 HN HIS 13 5.193 -3.662 0.835 101 HA HIS 13 HA HIS 13 7.937 -2.944 0.672 102 1HB HIS 13 HB2 HIS 13 6.265 -4.415 -0.889 103 2HB HIS 13 HB3 HIS 13 6.441 -2.946 -1.881 104 HD1 HIS 13 HD1 HIS 13 9.292 -2.301 -0.472 105 HD2 HIS 13 HD2 HIS 13 8.219 -5.699 -2.551 106 HE1 HIS 13 HE1 HIS 13 11.456 -3.291 -1.303 107 H ALA 14 HN ALA 14 5.192 -1.626 -1.082 108 HA ALA 14 HA ALA 14 6.276 0.665 -2.145 109 1HB ALA 14 HB2 ALA 14 3.606 -0.269 -1.503 110 2HB ALA 14 HB3 ALA 14 3.724 1.497 -1.508 111 3HB ALA 14 HB1 ALA 14 4.220 0.577 -2.934 112 H LYS 15 HN LYS 15 4.633 0.923 1.178 113 HA LYS 15 HA LYS 15 5.381 3.600 1.488 114 1HB LYS 15 HB2 LYS 15 3.869 2.333 3.023 115 2HB LYS 15 HB3 LYS 15 5.285 1.513 3.707 116 1HG LYS 15 HG2 LYS 15 6.141 4.049 3.680 117 2HG LYS 15 HG3 LYS 15 4.415 4.303 3.955 118 1HD LYS 15 HD2 LYS 15 4.837 3.879 6.152 119 2HD LYS 15 HD3 LYS 15 5.046 2.196 5.665 120 1HE LYS 15 HE2 LYS 15 7.074 2.589 6.724 121 2HE LYS 15 HE3 LYS 15 7.486 2.991 5.057 122 1HZ LYS 15 HZ3 LYS 15 6.358 5.211 6.455 123 2HZ LYS 15 HZ1 LYS 15 7.749 4.631 7.228 124 3HZ LYS 15 HZ2 LYS 15 7.820 5.102 5.596 125 H SER 16 HN SER 16 7.299 0.578 2.364 126 HA SER 16 HA SER 16 9.540 2.288 3.221 127 1HB SER 16 HB2 SER 16 8.660 -0.076 4.083 128 2HB SER 16 HB3 SER 16 9.798 -0.622 2.858 129 HG SER 16 HG SER 16 10.326 0.218 5.302 130 H LEU 17 HN LEU 17 8.611 1.674 0.156 131 HA LEU 17 HA LEU 17 11.409 1.052 -0.660 132 1HB LEU 17 HB2 LEU 17 10.638 -0.330 -2.371 133 2HB LEU 17 HB3 LEU 17 9.495 -0.574 -1.063 134 HG LEU 17 HG LEU 17 8.059 1.167 -2.164 135 1HD1 LEU 17 HD12 LEU 17 10.343 1.382 -3.780 136 2HD1 LEU 17 HD13 LEU 17 9.154 0.561 -4.799 137 3HD1 LEU 17 HD11 LEU 17 8.775 2.136 -4.090 138 1HD2 LEU 17 HD23 LEU 17 8.180 -1.482 -2.177 139 2HD2 LEU 17 HD21 LEU 17 6.972 -0.681 -3.176 140 3HD2 LEU 17 HD22 LEU 17 8.471 -1.250 -3.897 141 H GLY 18 HN GLY 18 8.711 3.198 -1.468 142 1HA GLY 18 HA1 GLY 18 10.090 5.449 -2.061 143 2HA GLY 18 HA2 GLY 18 10.373 4.500 -3.523 144 H ASN 19 HN ASN 19 7.640 3.224 -3.106 145 HA ASN 19 HA ASN 19 6.212 5.124 -4.713 146 1HB ASN 19 HB2 ASN 19 4.849 2.606 -3.725 147 2HB ASN 19 HB3 ASN 19 4.868 3.361 -5.243 148 1HD2 ASN 19 HD22 ASN 19 7.273 0.351 -4.892 149 2HD2 ASN 19 HD21 ASN 19 5.869 0.623 -3.973 150 H CYS 20 HN CYS 20 4.802 3.514 -1.798 151 HA CYS 20 HA CYS 20 3.133 4.455 -0.398 152 1HB CYS 20 HB2 CYS 20 5.600 5.106 0.402 153 2HB CYS 20 HB3 CYS 20 4.963 6.722 0.084 154 H ARG 21 HN ARG 21 2.956 5.538 -3.175 155 HA ARG 21 HA ARG 21 0.924 7.350 -3.123 156 1HB ARG 21 HB2 ARG 21 3.393 8.620 -2.233 157 2HB ARG 21 HB3 ARG 21 2.560 9.504 -3.515 158 1HG ARG 21 HG2 ARG 21 0.800 10.045 -2.170 159 2HG ARG 21 HG3 ARG 21 0.804 8.471 -1.369 160 1HD ARG 21 HD2 ARG 21 2.315 9.135 0.242 161 2HD ARG 21 HD3 ARG 21 3.097 10.301 -0.825 162 HE ARG 21 HE ARG 21 0.533 10.772 0.624 163 1HH1 ARG 21 HH22 ARG 21 -0.155 12.744 -0.835 164 2HH1 ARG 21 HH21 ARG 21 1.014 14.022 -0.772 165 1HH2 ARG 21 HH12 ARG 21 3.521 12.022 0.546 166 2HH2 ARG 21 HH11 ARG 21 3.095 13.613 0.010 167 H THR 22 HN THR 22 4.009 6.553 -4.703 168 HA THR 22 HA THR 22 3.211 7.979 -7.150 169 HB THR 22 HB THR 22 5.369 7.462 -7.969 170 HG1 THR 22 HG1 THR 22 6.587 5.843 -6.564 171 1HG2 THR 22 HG23 THR 22 5.066 8.608 -5.457 172 2HG2 THR 22 HG21 THR 22 6.358 7.429 -5.229 173 3HG2 THR 22 HG22 THR 22 6.512 8.679 -6.464 174 H SER 23 HN SER 23 2.333 5.106 -5.744 175 HA SER 23 HA SER 23 1.783 3.929 -8.427 176 1HB SER 23 HB2 SER 23 3.393 2.395 -7.712 177 2HB SER 23 HB3 SER 23 3.166 2.822 -6.021 178 HG SER 23 HG SER 23 1.493 1.216 -7.684 179 H GLN 24 HN GLN 24 -0.402 4.177 -8.573 180 HA GLN 24 HA GLN 24 -2.179 4.887 -6.588 181 1HB GLN 24 HB2 GLN 24 -2.777 3.223 -9.031 182 2HB GLN 24 HB3 GLN 24 -3.984 4.057 -8.051 183 1HG GLN 24 HG2 GLN 24 -1.650 5.430 -9.407 184 2HG GLN 24 HG3 GLN 24 -3.288 5.375 -10.059 185 1HE2 GLN 24 HE22 GLN 24 -2.548 8.379 -7.689 186 2HE2 GLN 24 HE21 GLN 24 -1.473 7.617 -8.758 187 H LYS 25 HN LYS 25 -1.133 1.547 -7.201 188 HA LYS 25 HA LYS 25 -3.248 0.524 -5.424 189 1HB LYS 25 HB2 LYS 25 -1.629 -0.539 -7.439 190 2HB LYS 25 HB3 LYS 25 -1.036 -1.291 -5.950 191 1HG LYS 25 HG2 LYS 25 -3.048 -2.313 -5.478 192 2HG LYS 25 HG3 LYS 25 -3.977 -1.073 -6.305 193 1HD LYS 25 HD2 LYS 25 -2.191 -2.946 -7.859 194 2HD LYS 25 HD3 LYS 25 -3.847 -3.396 -7.447 195 1HE LYS 25 HE2 LYS 25 -4.599 -1.219 -8.492 196 2HE LYS 25 HE3 LYS 25 -2.951 -1.016 -9.086 197 1HZ LYS 25 HZ1 LYS 25 -3.845 -3.623 -9.663 198 2HZ LYS 25 HZ2 LYS 25 -4.996 -2.505 -10.227 199 3HZ LYS 25 HZ3 LYS 25 -3.378 -2.404 -10.740 200 H TYR 26 HN TYR 26 0.180 0.972 -5.450 201 HA TYR 26 HA TYR 26 1.038 -0.004 -2.910 202 1HB TYR 26 HB2 TYR 26 1.928 2.099 -4.814 203 2HB TYR 26 HB3 TYR 26 2.832 1.764 -3.348 204 HD1 TYR 26 HD2 TYR 26 1.153 -1.244 -4.218 205 HD2 TYR 26 HD1 TYR 26 4.525 1.188 -5.359 206 HE1 TYR 26 HE2 TYR 26 2.161 -3.154 -5.207 207 HE2 TYR 26 HE1 TYR 26 5.571 -0.795 -6.390 208 HH TYR 26 HH TYR 26 5.440 -3.014 -6.692 209 H ARG 27 HN ARG 27 -0.659 2.920 -3.827 210 HA ARG 27 HA ARG 27 -0.071 4.088 -1.167 211 1HB ARG 27 HB2 ARG 27 -0.152 6.194 -2.123 212 2HB ARG 27 HB3 ARG 27 0.242 5.277 -3.579 213 1HG ARG 27 HG2 ARG 27 -2.073 5.152 -4.198 214 2HG ARG 27 HG3 ARG 27 -2.574 5.969 -2.695 215 1HD ARG 27 HD2 ARG 27 -0.561 7.440 -4.251 216 2HD ARG 27 HD3 ARG 27 -2.071 7.195 -5.121 217 HE ARG 27 HE ARG 27 -2.875 8.072 -2.612 218 1HH1 ARG 27 HH12 ARG 27 -2.890 9.537 -5.384 219 2HH1 ARG 27 HH11 ARG 27 -2.186 11.049 -4.915 220 1HH2 ARG 27 HH22 ARG 27 -1.039 9.866 -1.862 221 2HH2 ARG 27 HH21 ARG 27 -1.138 11.236 -2.918 222 H ALA 28 HN ALA 28 -2.633 3.501 -3.527 223 HA ALA 28 HA ALA 28 -4.748 4.020 -1.538 224 1HB ALA 28 HB2 ALA 28 -4.917 4.668 -4.006 225 2HB ALA 28 HB3 ALA 28 -5.061 2.946 -4.357 226 3HB ALA 28 HB1 ALA 28 -6.283 3.751 -3.372 227 H ASN 29 HN ASN 29 -3.703 1.263 -3.621 228 HA ASN 29 HA ASN 29 -5.399 -0.519 -2.164 229 1HB ASN 29 HB2 ASN 29 -3.233 -0.978 -4.156 230 2HB ASN 29 HB3 ASN 29 -3.720 -2.346 -3.171 231 1HD2 ASN 29 HD22 ASN 29 -6.580 -0.706 -5.651 232 2HD2 ASN 29 HD21 ASN 29 -5.362 0.299 -5.028 233 H CYS 30 HN CYS 30 -2.510 0.924 -1.345 234 HA CYS 30 HA CYS 30 -2.025 -1.124 0.772 235 1HB CYS 30 HB2 CYS 30 0.002 0.282 -1.001 236 2HB CYS 30 HB3 CYS 30 0.428 -0.756 0.378 237 H ALA 31 HN ALA 31 -3.625 0.911 1.118 238 HA ALA 31 HA ALA 31 -2.447 3.340 2.092 239 1HB ALA 31 HB2 ALA 31 -5.046 2.202 1.637 240 2HB ALA 31 HB3 ALA 31 -5.007 2.941 3.240 241 3HB ALA 31 HB1 ALA 31 -4.605 3.903 1.815 242 H LYS 32 HN LYS 32 -2.540 0.209 3.377 243 HA LYS 32 HA LYS 32 -2.782 0.963 6.221 244 1HB LYS 32 HB2 LYS 32 -3.302 -1.227 6.378 245 2HB LYS 32 HB3 LYS 32 -2.965 -1.426 4.658 246 1HG LYS 32 HG2 LYS 32 -0.550 -1.718 5.185 247 2HG LYS 32 HG3 LYS 32 -0.931 -1.610 6.904 248 1HD LYS 32 HD2 LYS 32 -1.819 -3.723 6.954 249 2HD LYS 32 HD3 LYS 32 -2.426 -3.627 5.297 250 1HE LYS 32 HE2 LYS 32 -0.473 -5.223 5.548 251 2HE LYS 32 HE3 LYS 32 -0.199 -3.918 4.395 252 1HZ LYS 32 HZ3 LYS 32 0.576 -2.947 6.864 253 2HZ LYS 32 HZ1 LYS 32 1.212 -4.513 6.767 254 3HZ LYS 32 HZ2 LYS 32 1.576 -3.375 5.558 255 H THR 33 HN THR 33 -0.473 0.106 3.823 256 HA THR 33 HA THR 33 1.957 0.070 5.511 257 HB THR 33 HB THR 33 1.112 -0.495 2.701 258 HG1 THR 33 HG1 THR 33 1.293 -2.197 4.126 259 1HG2 THR 33 HG21 THR 33 3.759 0.454 3.659 260 2HG2 THR 33 HG22 THR 33 3.660 -0.614 2.267 261 3HG2 THR 33 HG23 THR 33 2.879 0.973 2.225 262 H CYS 34 HN CYS 34 0.349 2.258 3.292 263 HA CYS 34 HA CYS 34 2.602 4.187 3.507 264 1HB CYS 34 HB2 CYS 34 1.337 3.616 1.327 265 2HB CYS 34 HB3 CYS 34 0.021 4.541 2.007 266 H GLU 35 HN GLU 35 -0.442 3.448 4.905 267 HA GLU 35 HA GLU 35 -1.717 4.489 6.486 268 1HB GLU 35 HB2 GLU 35 0.725 6.288 6.614 269 2HB GLU 35 HB3 GLU 35 -0.641 6.407 7.758 270 1HG GLU 35 HG2 GLU 35 -0.337 4.336 8.636 271 2HG GLU 35 HG3 GLU 35 0.304 3.696 7.124 272 H LEU 36 HN LEU 36 -1.946 4.912 3.804 273 HA LEU 36 HA LEU 36 -2.913 7.658 3.328 274 1HB LEU 36 HB2 LEU 36 -2.799 5.136 1.692 275 2HB LEU 36 HB3 LEU 36 -3.375 6.618 1.008 276 HG LEU 36 HG LEU 36 -0.632 6.285 2.238 277 1HD1 LEU 36 HD11 LEU 36 -1.605 6.037 -0.619 278 2HD1 LEU 36 HD12 LEU 36 0.098 6.237 -0.206 279 3HD1 LEU 36 HD13 LEU 36 -0.801 4.820 0.361 280 1HD2 LEU 36 HD23 LEU 36 -1.811 8.402 0.389 281 2HD2 LEU 36 HD21 LEU 36 -1.470 8.625 2.107 282 3HD2 LEU 36 HD22 LEU 36 -0.146 8.369 0.969 283 H CYS 37 HN CYS 37 -3.970 4.655 4.674 284 HA CYS 37 HA CYS 37 -6.612 5.577 5.103 285 1HB CYS 37 HB2 CYS 37 -6.392 5.005 2.469 286 2HB CYS 37 HB3 CYS 37 -6.815 3.406 3.083 No H/Q in entry = 286 Start of MODEL 7 1 1H VAL 1 HN2 VAL 1 -14.416 0.984 1.601 2 2H VAL 1 HN VAL 1 -15.482 -0.303 1.916 3 3H VAL 1 HN3 VAL 1 -15.483 1.060 2.922 4 HA VAL 1 HA VAL 1 -13.943 0.171 4.221 5 HB VAL 1 HB VAL 1 -14.066 -2.084 2.196 6 1HG1 VAL 1 HG12 VAL 1 -12.583 -1.740 4.774 7 2HG1 VAL 1 HG13 VAL 1 -13.268 -3.323 4.407 8 3HG1 VAL 1 HG11 VAL 1 -12.098 -2.593 3.308 9 1HG2 VAL 1 HG21 VAL 1 -15.553 -1.372 4.716 10 2HG2 VAL 1 HG22 VAL 1 -16.192 -1.955 3.178 11 3HG2 VAL 1 HG23 VAL 1 -15.361 -3.066 4.267 12 H CYS 2 HN CYS 2 -11.713 0.376 4.488 13 HA CYS 2 HA CYS 2 -10.129 0.562 1.971 14 1HB CYS 2 HB2 CYS 2 -10.630 2.797 3.015 15 2HB CYS 2 HB3 CYS 2 -9.740 2.277 4.446 16 H ARG 3 HN ARG 3 -7.752 -0.086 2.327 17 HA ARG 3 HA ARG 3 -6.401 -0.790 4.561 18 1HB ARG 3 HB2 ARG 3 -6.969 -3.327 4.721 19 2HB ARG 3 HB3 ARG 3 -8.035 -2.186 5.543 20 1HG ARG 3 HG2 ARG 3 -9.772 -2.900 4.317 21 2HG ARG 3 HG3 ARG 3 -8.927 -2.434 2.840 22 1HD ARG 3 HD2 ARG 3 -9.507 -4.836 2.808 23 2HD ARG 3 HD3 ARG 3 -7.760 -4.601 2.807 24 HE ARG 3 HE ARG 3 -7.721 -5.285 5.153 25 1HH1 ARG 3 HH22 ARG 3 -10.945 -4.792 4.258 26 2HH1 ARG 3 HH21 ARG 3 -11.560 -6.182 5.089 27 1HH2 ARG 3 HH12 ARG 3 -8.422 -7.397 5.928 28 2HH2 ARG 3 HH11 ARG 3 -10.132 -7.657 6.035 29 H ASP 4 HN ASP 4 -4.846 -2.753 4.134 30 HA ASP 4 HA ASP 4 -3.625 -2.445 1.611 31 1HB ASP 4 HB2 ASP 4 -2.519 -4.656 2.095 32 2HB ASP 4 HB3 ASP 4 -2.438 -3.533 3.453 33 H TRP 5 HN TRP 5 -3.499 -4.371 -0.100 34 HA TRP 5 HA TRP 5 -6.125 -5.770 -0.229 35 1HB TRP 5 HB2 TRP 5 -5.204 -3.634 -2.094 36 2HB TRP 5 HB3 TRP 5 -6.000 -5.042 -2.808 37 HD1 TRP 5 HD1 TRP 5 -6.737 -1.880 -1.135 38 HE1 TRP 5 HE1 TRP 5 -9.223 -1.745 -0.441 39 HE3 TRP 5 HE3 TRP 5 -8.064 -6.741 -1.792 40 HZ2 TRP 5 HZ2 TRP 5 -11.484 -3.502 -0.200 41 HZ3 TRP 5 HZ3 TRP 5 -10.378 -7.498 -1.326 42 HH2 TRP 5 HH2 TRP 5 -12.086 -5.890 -0.534 43 H PHE 6 HN PHE 6 -2.653 -5.594 -1.232 44 HA PHE 6 HA PHE 6 -3.062 -7.931 -2.932 45 1HB PHE 6 HB2 PHE 6 -0.555 -6.530 -1.908 46 2HB PHE 6 HB3 PHE 6 -0.582 -7.779 -3.163 47 HD1 PHE 6 HD2 PHE 6 -2.823 -7.227 -4.813 48 HD2 PHE 6 HD1 PHE 6 -0.193 -4.456 -2.887 49 HE1 PHE 6 HE2 PHE 6 -3.382 -5.518 -6.517 50 HE2 PHE 6 HE1 PHE 6 -0.737 -2.748 -4.564 51 HZ PHE 6 HZ PHE 6 -2.329 -3.285 -6.379 52 H LYS 7 HN LYS 7 -0.360 -8.932 -1.613 53 HA LYS 7 HA LYS 7 -1.811 -10.484 0.444 54 1HB LYS 7 HB2 LYS 7 0.538 -10.895 -1.149 55 2HB LYS 7 HB3 LYS 7 0.955 -11.102 0.551 56 1HG LYS 7 HG2 LYS 7 0.163 -13.217 0.208 57 2HG LYS 7 HG3 LYS 7 -1.398 -12.444 0.491 58 1HD LYS 7 HD2 LYS 7 -1.971 -12.446 -1.747 59 2HD LYS 7 HD3 LYS 7 -0.291 -12.405 -2.287 60 1HE LYS 7 HE2 LYS 7 -1.297 -14.816 -0.812 61 2HE LYS 7 HE3 LYS 7 -1.673 -14.630 -2.524 62 1HZ LYS 7 HZ2 LYS 7 0.820 -14.151 -2.750 63 2HZ LYS 7 HZ3 LYS 7 0.963 -14.890 -1.226 64 3HZ LYS 7 HZ1 LYS 7 0.329 -15.764 -2.531 65 H GLU 8 HN GLU 8 -1.363 -7.616 1.002 66 HA GLU 8 HA GLU 8 -0.893 -6.299 2.853 67 1HB GLU 8 HB2 GLU 8 -1.382 -8.821 3.756 68 2HB GLU 8 HB3 GLU 8 0.171 -8.453 4.519 69 1HG GLU 8 HG2 GLU 8 -0.702 -6.664 5.729 70 2HG GLU 8 HG3 GLU 8 -1.985 -6.370 4.554 71 H THR 9 HN THR 9 1.724 -8.360 1.622 72 HA THR 9 HA THR 9 3.628 -6.561 2.963 73 HB THR 9 HB THR 9 5.268 -8.325 2.165 74 HG1 THR 9 HG1 THR 9 4.549 -9.778 0.808 75 1HG2 THR 9 HG22 THR 9 3.197 -8.321 4.109 76 2HG2 THR 9 HG23 THR 9 3.436 -9.989 3.584 77 3HG2 THR 9 HG21 THR 9 4.798 -9.061 4.232 78 H ALA 10 HN ALA 10 2.278 -7.426 -0.149 79 HA ALA 10 HA ALA 10 4.088 -6.193 -1.962 80 1HB ALA 10 HB3 ALA 10 1.712 -7.242 -2.479 81 2HB ALA 10 HB1 ALA 10 1.090 -5.649 -2.048 82 3HB ALA 10 HB2 ALA 10 2.188 -5.819 -3.410 83 H CYS 11 HN CYS 11 1.660 -5.028 0.227 84 HA CYS 11 HA CYS 11 1.657 -2.259 -0.276 85 1HB CYS 11 HB2 CYS 11 1.105 -3.858 2.267 86 2HB CYS 11 HB3 CYS 11 0.481 -2.241 1.890 87 H ARG 12 HN ARG 12 3.219 -3.892 2.483 88 HA ARG 12 HA ARG 12 4.817 -1.795 3.430 89 1HB ARG 12 HB2 ARG 12 4.896 -3.641 4.810 90 2HB ARG 12 HB3 ARG 12 5.002 -4.775 3.463 91 1HG ARG 12 HG2 ARG 12 7.274 -4.553 3.261 92 2HG ARG 12 HG3 ARG 12 7.276 -2.888 3.851 93 1HD ARG 12 HD2 ARG 12 7.129 -3.546 6.105 94 2HD ARG 12 HD3 ARG 12 6.553 -5.160 5.690 95 HE ARG 12 HE ARG 12 9.284 -4.511 4.788 96 1HH1 ARG 12 HH21 ARG 12 9.187 -7.743 6.621 97 2HH1 ARG 12 HH22 ARG 12 8.598 -7.310 5.052 98 1HH2 ARG 12 HH12 ARG 12 9.446 -4.466 7.722 99 2HH2 ARG 12 HH11 ARG 12 9.667 -6.134 8.133 100 H HIS 13 HN HIS 13 5.256 -3.634 0.486 101 HA HIS 13 HA HIS 13 8.050 -3.018 0.164 102 1HB HIS 13 HB2 HIS 13 6.170 -4.377 -1.371 103 2HB HIS 13 HB3 HIS 13 6.344 -2.874 -2.279 104 HD1 HIS 13 HD1 HIS 13 7.994 -3.242 -4.102 105 HD2 HIS 13 HD2 HIS 13 9.156 -5.161 -0.588 106 HE1 HIS 13 HE1 HIS 13 10.248 -4.288 -4.572 107 H ALA 14 HN ALA 14 5.185 -1.579 -1.323 108 HA ALA 14 HA ALA 14 6.196 0.884 -2.165 109 1HB ALA 14 HB1 ALA 14 3.635 -0.299 -1.693 110 2HB ALA 14 HB2 ALA 14 3.614 1.371 -1.125 111 3HB ALA 14 HB3 ALA 14 4.058 1.013 -2.801 112 H LYS 15 HN LYS 15 5.362 0.044 1.242 113 HA LYS 15 HA LYS 15 5.485 2.835 2.041 114 1HB LYS 15 HB2 LYS 15 4.242 1.610 3.573 115 2HB LYS 15 HB3 LYS 15 5.274 0.187 3.425 116 1HG LYS 15 HG2 LYS 15 5.575 1.300 5.595 117 2HG LYS 15 HG3 LYS 15 7.051 1.273 4.629 118 1HD LYS 15 HD2 LYS 15 7.190 3.511 4.816 119 2HD LYS 15 HD3 LYS 15 5.666 3.653 3.937 120 1HE LYS 15 HE2 LYS 15 5.281 4.771 5.991 121 2HE LYS 15 HE3 LYS 15 4.519 3.194 6.192 122 1HZ LYS 15 HZ2 LYS 15 7.254 3.080 6.916 123 2HZ LYS 15 HZ3 LYS 15 6.472 4.315 7.785 124 3HZ LYS 15 HZ1 LYS 15 5.882 2.730 7.858 125 H SER 16 HN SER 16 8.001 0.168 1.841 126 HA SER 16 HA SER 16 9.808 2.121 3.127 127 1HB SER 16 HB2 SER 16 9.635 -0.704 3.210 128 2HB SER 16 HB3 SER 16 11.174 -0.286 2.471 129 HG SER 16 HG SER 16 11.723 0.070 4.493 130 H LEU 17 HN LEU 17 9.143 1.104 -0.115 131 HA LEU 17 HA LEU 17 11.891 1.704 -1.044 132 1HB LEU 17 HB2 LEU 17 9.537 1.813 -2.859 133 2HB LEU 17 HB3 LEU 17 11.162 1.179 -3.199 134 HG LEU 17 HG LEU 17 9.924 -0.453 -1.195 135 1HD1 LEU 17 HD11 LEU 17 8.316 0.592 -3.530 136 2HD1 LEU 17 HD12 LEU 17 7.785 -0.838 -2.631 137 3HD1 LEU 17 HD13 LEU 17 7.980 0.750 -1.821 138 1HD2 LEU 17 HD22 LEU 17 11.478 -0.783 -3.402 139 2HD2 LEU 17 HD23 LEU 17 10.486 -2.119 -2.808 140 3HD2 LEU 17 HD21 LEU 17 9.911 -1.116 -4.150 141 H GLY 18 HN GLY 18 8.614 2.894 -1.569 142 1HA GLY 18 HA1 GLY 18 8.766 5.537 -0.971 143 2HA GLY 18 HA2 GLY 18 9.584 5.465 -2.538 144 H ASN 19 HN ASN 19 7.710 3.240 -3.472 145 HA ASN 19 HA ASN 19 5.876 4.759 -4.866 146 1HB ASN 19 HB2 ASN 19 4.606 2.296 -4.102 147 2HB ASN 19 HB3 ASN 19 5.027 2.936 -5.633 148 1HD2 ASN 19 HD22 ASN 19 6.929 -0.265 -4.390 149 2HD2 ASN 19 HD21 ASN 19 5.427 0.278 -3.843 150 H CYS 20 HN CYS 20 5.647 4.213 -1.465 151 HA CYS 20 HA CYS 20 3.096 3.792 -0.729 152 1HB CYS 20 HB2 CYS 20 4.298 4.504 1.078 153 2HB CYS 20 HB3 CYS 20 5.093 5.800 0.174 154 H ARG 21 HN ARG 21 4.149 6.659 -2.494 155 HA ARG 21 HA ARG 21 1.247 7.349 -2.846 156 1HB ARG 21 HB2 ARG 21 3.416 8.896 -1.747 157 2HB ARG 21 HB3 ARG 21 2.555 9.734 -3.041 158 1HG ARG 21 HG2 ARG 21 0.590 8.414 -1.458 159 2HG ARG 21 HG3 ARG 21 1.648 9.284 -0.342 160 1HD ARG 21 HD2 ARG 21 0.579 10.624 -2.822 161 2HD ARG 21 HD3 ARG 21 -0.368 10.574 -1.334 162 HE ARG 21 HE ARG 21 2.403 11.630 -1.181 163 1HH1 ARG 21 HH22 ARG 21 0.530 11.997 1.080 164 2HH1 ARG 21 HH21 ARG 21 -0.075 13.600 0.822 165 1HH2 ARG 21 HH12 ARG 21 0.962 13.744 -2.484 166 2HH2 ARG 21 HH11 ARG 21 0.171 14.589 -1.195 167 H THR 22 HN THR 22 3.950 6.467 -4.535 168 HA THR 22 HA THR 22 3.300 8.229 -6.846 169 HB THR 22 HB THR 22 5.539 6.953 -7.658 170 HG1 THR 22 HG1 THR 22 6.806 7.085 -5.553 171 1HG2 THR 22 HG21 THR 22 5.272 9.371 -5.869 172 2HG2 THR 22 HG22 THR 22 6.787 8.919 -6.652 173 3HG2 THR 22 HG23 THR 22 5.379 9.334 -7.629 174 H SER 23 HN SER 23 2.339 5.311 -5.681 175 HA SER 23 HA SER 23 2.097 4.227 -8.450 176 1HB SER 23 HB2 SER 23 2.685 2.861 -5.797 177 2HB SER 23 HB3 SER 23 2.047 1.960 -7.189 178 HG SER 23 HG SER 23 3.967 2.084 -8.050 179 H GLN 24 HN GLN 24 -0.094 3.540 -8.945 180 HA GLN 24 HA GLN 24 -2.047 4.882 -7.325 181 1HB GLN 24 HB2 GLN 24 -2.298 3.045 -9.695 182 2HB GLN 24 HB3 GLN 24 -3.722 3.640 -8.841 183 1HG GLN 24 HG2 GLN 24 -1.993 5.862 -9.246 184 2HG GLN 24 HG3 GLN 24 -2.129 5.010 -10.786 185 1HE2 GLN 24 HE22 GLN 24 -5.411 6.878 -9.222 186 2HE2 GLN 24 HE21 GLN 24 -4.009 6.697 -8.284 187 H LYS 25 HN LYS 25 -2.165 1.297 -7.999 188 HA LYS 25 HA LYS 25 -3.926 0.832 -5.830 189 1HB LYS 25 HB2 LYS 25 -2.524 -0.740 -7.658 190 2HB LYS 25 HB3 LYS 25 -1.847 -1.232 -6.104 191 1HG LYS 25 HG2 LYS 25 -3.741 -2.291 -5.489 192 2HG LYS 25 HG3 LYS 25 -4.744 -0.936 -5.970 193 1HD LYS 25 HD2 LYS 25 -3.913 -1.933 -8.411 194 2HD LYS 25 HD3 LYS 25 -4.129 -3.397 -7.449 195 1HE LYS 25 HE2 LYS 25 -6.211 -2.639 -8.658 196 2HE LYS 25 HE3 LYS 25 -6.401 -2.804 -6.913 197 1HZ LYS 25 HZ1 LYS 25 -5.477 -0.206 -7.656 198 2HZ LYS 25 HZ2 LYS 25 -6.960 -0.584 -8.396 199 3HZ LYS 25 HZ3 LYS 25 -6.808 -0.643 -6.705 200 H TYR 26 HN TYR 26 -0.495 0.152 -5.842 201 HA TYR 26 HA TYR 26 0.476 -0.255 -3.405 202 1HB TYR 26 HB2 TYR 26 1.154 1.456 -5.660 203 2HB TYR 26 HB3 TYR 26 2.079 1.780 -4.191 204 HD1 TYR 26 HD2 TYR 26 0.734 -1.608 -4.640 205 HD2 TYR 26 HD1 TYR 26 4.077 0.956 -5.366 206 HE1 TYR 26 HE2 TYR 26 2.124 -3.561 -5.032 207 HE2 TYR 26 HE1 TYR 26 5.529 -1.006 -5.770 208 HH TYR 26 HH TYR 26 4.277 -4.308 -5.280 209 H ARG 27 HN ARG 27 -0.288 3.160 -4.334 210 HA ARG 27 HA ARG 27 0.080 4.103 -1.645 211 1HB ARG 27 HB2 ARG 27 -0.200 6.208 -2.586 212 2HB ARG 27 HB3 ARG 27 0.103 5.284 -4.066 213 1HG ARG 27 HG2 ARG 27 -2.222 5.069 -4.493 214 2HG ARG 27 HG3 ARG 27 -2.655 5.841 -2.950 215 1HD ARG 27 HD2 ARG 27 -1.212 7.117 -5.296 216 2HD ARG 27 HD3 ARG 27 -2.853 7.466 -4.762 217 HE ARG 27 HE ARG 27 -0.401 8.155 -3.199 218 1HH1 ARG 27 HH22 ARG 27 -2.600 8.116 -1.371 219 2HH1 ARG 27 HH21 ARG 27 -3.340 9.675 -1.538 220 1HH2 ARG 27 HH12 ARG 27 -1.826 10.350 -4.587 221 2HH2 ARG 27 HH11 ARG 27 -2.898 10.941 -3.363 222 H ALA 28 HN ALA 28 -2.763 3.430 -3.616 223 HA ALA 28 HA ALA 28 -4.605 3.956 -1.390 224 1HB ALA 28 HB2 ALA 28 -4.793 3.699 -4.284 225 2HB ALA 28 HB3 ALA 28 -6.035 2.749 -3.469 226 3HB ALA 28 HB1 ALA 28 -5.903 4.480 -3.159 227 H ASN 29 HN ASN 29 -4.507 1.139 -3.625 228 HA ASN 29 HA ASN 29 -5.763 -0.651 -2.036 229 1HB ASN 29 HB2 ASN 29 -3.653 -1.036 -4.051 230 2HB ASN 29 HB3 ASN 29 -3.825 -2.375 -2.917 231 1HD2 ASN 29 HD22 ASN 29 -7.251 -1.389 -4.981 232 2HD2 ASN 29 HD21 ASN 29 -6.237 -0.143 -4.435 233 H CYS 30 HN CYS 30 -2.312 0.099 -1.835 234 HA CYS 30 HA CYS 30 -2.188 -1.431 0.716 235 1HB CYS 30 HB2 CYS 30 -0.063 -0.459 -1.208 236 2HB CYS 30 HB3 CYS 30 0.309 -1.158 0.378 237 H ALA 31 HN ALA 31 -3.524 0.486 1.407 238 HA ALA 31 HA ALA 31 -1.960 2.918 2.059 239 1HB ALA 31 HB3 ALA 31 -4.696 2.237 1.521 240 2HB ALA 31 HB1 ALA 31 -4.611 2.907 3.141 241 3HB ALA 31 HB2 ALA 31 -4.030 3.850 1.765 242 H LYS 32 HN LYS 32 -2.388 -0.102 3.387 243 HA LYS 32 HA LYS 32 -2.710 0.703 6.202 244 1HB LYS 32 HB2 LYS 32 -3.551 -1.391 6.162 245 2HB LYS 32 HB3 LYS 32 -2.849 -1.704 4.582 246 1HG LYS 32 HG2 LYS 32 -1.103 -1.767 7.042 247 2HG LYS 32 HG3 LYS 32 -2.095 -3.155 6.628 248 1HD LYS 32 HD2 LYS 32 -0.964 -2.631 4.208 249 2HD LYS 32 HD3 LYS 32 0.330 -2.118 5.291 250 1HE LYS 32 HE2 LYS 32 -0.945 -4.841 5.053 251 2HE LYS 32 HE3 LYS 32 0.765 -4.442 4.952 252 1HZ LYS 32 HZ2 LYS 32 0.216 -3.540 7.379 253 2HZ LYS 32 HZ3 LYS 32 -0.929 -4.794 7.291 254 3HZ LYS 32 HZ1 LYS 32 0.717 -5.137 7.081 255 H THR 33 HN THR 33 -0.292 -0.040 3.859 256 HA THR 33 HA THR 33 1.937 -0.293 5.764 257 HB THR 33 HB THR 33 1.173 -1.273 3.297 258 HG1 THR 33 HG1 THR 33 2.505 -2.633 3.997 259 1HG2 THR 33 HG21 THR 33 2.701 1.036 2.688 260 2HG2 THR 33 HG22 THR 33 3.771 -0.350 2.492 261 3HG2 THR 33 HG23 THR 33 2.255 -0.286 1.613 262 H CYS 34 HN CYS 34 0.365 2.114 3.923 263 HA CYS 34 HA CYS 34 2.544 4.023 4.707 264 1HB CYS 34 HB2 CYS 34 1.950 3.637 2.158 265 2HB CYS 34 HB3 CYS 34 0.589 4.642 2.540 266 H GLU 35 HN GLU 35 -0.573 3.087 5.455 267 HA GLU 35 HA GLU 35 -2.307 4.133 6.539 268 1HB GLU 35 HB2 GLU 35 0.036 5.903 7.259 269 2HB GLU 35 HB3 GLU 35 -1.581 6.124 7.985 270 1HG GLU 35 HG2 GLU 35 -1.704 3.896 8.727 271 2HG GLU 35 HG3 GLU 35 -0.298 3.424 7.783 272 H LEU 36 HN LEU 36 -1.931 4.540 3.858 273 HA LEU 36 HA LEU 36 -2.625 7.314 3.157 274 1HB LEU 36 HB2 LEU 36 -2.386 4.702 1.710 275 2HB LEU 36 HB3 LEU 36 -2.988 6.089 0.849 276 HG LEU 36 HG LEU 36 -0.427 6.185 2.380 277 1HD1 LEU 36 HD11 LEU 36 -0.637 4.228 0.649 278 2HD1 LEU 36 HD12 LEU 36 -0.540 5.498 -0.568 279 3HD1 LEU 36 HD13 LEU 36 0.792 5.252 0.557 280 1HD2 LEU 36 HD22 LEU 36 -1.747 8.182 1.205 281 2HD2 LEU 36 HD23 LEU 36 0.013 8.115 1.124 282 3HD2 LEU 36 HD21 LEU 36 -0.953 7.561 -0.242 283 H CYS 37 HN CYS 37 -4.123 4.393 4.290 284 HA CYS 37 HA CYS 37 -6.627 4.504 2.964 285 1HB CYS 37 HB2 CYS 37 -5.565 3.320 5.438 286 2HB CYS 37 HB3 CYS 37 -7.277 3.723 5.530 No H/Q in entry = 286 Start of MODEL 8 1 1H VAL 1 HN VAL 1 -14.278 0.002 2.063 2 2H VAL 1 HN3 VAL 1 -15.440 0.768 3.027 3 3H VAL 1 HN2 VAL 1 -14.735 1.605 1.725 4 HA VAL 1 HA VAL 1 -13.665 2.449 3.611 5 HB VAL 1 HB VAL 1 -14.485 0.532 5.065 6 1HG1 VAL 1 HG11 VAL 1 -13.365 -1.162 3.438 7 2HG1 VAL 1 HG12 VAL 1 -11.884 -0.799 4.324 8 3HG1 VAL 1 HG13 VAL 1 -13.271 -1.485 5.170 9 1HG2 VAL 1 HG22 VAL 1 -12.453 2.312 5.445 10 2HG2 VAL 1 HG23 VAL 1 -12.989 1.172 6.680 11 3HG2 VAL 1 HG21 VAL 1 -11.593 0.790 5.673 12 H CYS 2 HN CYS 2 -11.306 2.638 3.843 13 HA CYS 2 HA CYS 2 -9.948 1.707 1.410 14 1HB CYS 2 HB2 CYS 2 -8.023 3.084 2.347 15 2HB CYS 2 HB3 CYS 2 -9.500 3.985 2.008 16 H ARG 3 HN ARG 3 -7.532 0.959 1.819 17 HA ARG 3 HA ARG 3 -6.461 -0.244 4.012 18 1HB ARG 3 HB2 ARG 3 -7.285 -2.668 3.773 19 2HB ARG 3 HB3 ARG 3 -8.384 -1.543 4.567 20 1HG ARG 3 HG2 ARG 3 -9.942 -1.803 2.963 21 2HG ARG 3 HG3 ARG 3 -8.761 -1.510 1.685 22 1HD ARG 3 HD2 ARG 3 -9.668 -3.757 1.425 23 2HD ARG 3 HD3 ARG 3 -7.979 -3.868 1.919 24 HE ARG 3 HE ARG 3 -8.731 -4.970 3.851 25 1HH1 ARG 3 HH12 ARG 3 -11.432 -3.960 2.122 26 2HH1 ARG 3 HH11 ARG 3 -12.511 -3.943 3.477 27 1HH2 ARG 3 HH22 ARG 3 -10.007 -4.504 5.812 28 2HH2 ARG 3 HH21 ARG 3 -11.703 -4.251 5.567 29 H ASP 4 HN ASP 4 -5.493 -2.662 3.229 30 HA ASP 4 HA ASP 4 -3.955 -1.934 0.839 31 1HB ASP 4 HB2 ASP 4 -2.964 -4.304 1.263 32 2HB ASP 4 HB3 ASP 4 -2.629 -3.050 2.459 33 H TRP 5 HN TRP 5 -3.595 -4.211 -0.597 34 HA TRP 5 HA TRP 5 -6.241 -5.395 -1.134 35 1HB TRP 5 HB2 TRP 5 -4.995 -3.262 -2.790 36 2HB TRP 5 HB3 TRP 5 -5.728 -4.606 -3.679 37 HD1 TRP 5 HD1 TRP 5 -6.704 -1.403 -2.317 38 HE1 TRP 5 HE1 TRP 5 -9.228 -1.289 -1.848 39 HE3 TRP 5 HE3 TRP 5 -7.856 -6.361 -2.562 40 HZ2 TRP 5 HZ2 TRP 5 -11.463 -3.075 -1.604 41 HZ3 TRP 5 HZ3 TRP 5 -10.183 -7.132 -2.207 42 HH2 TRP 5 HH2 TRP 5 -11.985 -5.502 -1.730 43 H PHE 6 HN PHE 6 -2.707 -5.156 -1.935 44 HA PHE 6 HA PHE 6 -2.828 -7.690 -3.386 45 1HB PHE 6 HB2 PHE 6 -0.537 -5.998 -2.284 46 2HB PHE 6 HB3 PHE 6 -0.328 -7.379 -3.362 47 HD1 PHE 6 HD2 PHE 6 -3.163 -6.246 -4.746 48 HD2 PHE 6 HD1 PHE 6 0.830 -4.880 -3.941 49 HE1 PHE 6 HE2 PHE 6 -3.313 -4.699 -6.615 50 HE2 PHE 6 HE1 PHE 6 0.717 -3.349 -5.770 51 HZ PHE 6 HZ PHE 6 -1.379 -3.218 -7.169 52 H LYS 7 HN LYS 7 -0.151 -8.292 -1.718 53 HA LYS 7 HA LYS 7 -1.552 -9.640 0.502 54 1HB LYS 7 HB2 LYS 7 0.325 -10.772 -0.778 55 2HB LYS 7 HB3 LYS 7 1.425 -9.530 -0.177 56 1HG LYS 7 HG2 LYS 7 1.764 -10.845 1.618 57 2HG LYS 7 HG3 LYS 7 0.117 -10.450 2.113 58 1HD LYS 7 HD2 LYS 7 -0.668 -12.359 0.635 59 2HD LYS 7 HD3 LYS 7 1.025 -12.831 0.483 60 1HE LYS 7 HE2 LYS 7 0.519 -12.377 3.247 61 2HE LYS 7 HE3 LYS 7 -0.780 -13.397 2.631 62 1HZ LYS 7 HZ3 LYS 7 1.985 -14.006 1.861 63 2HZ LYS 7 HZ1 LYS 7 1.467 -14.433 3.415 64 3HZ LYS 7 HZ2 LYS 7 0.658 -15.052 2.054 65 H GLU 8 HN GLU 8 -1.169 -8.934 2.739 66 HA GLU 8 HA GLU 8 -0.883 -6.175 3.191 67 1HB GLU 8 HB2 GLU 8 -0.124 -8.468 5.023 68 2HB GLU 8 HB3 GLU 8 -0.299 -6.791 5.540 69 1HG GLU 8 HG2 GLU 8 -2.620 -6.770 5.102 70 2HG GLU 8 HG3 GLU 8 -2.531 -8.222 4.104 71 H THR 9 HN THR 9 1.648 -8.445 2.415 72 HA THR 9 HA THR 9 3.691 -6.606 3.446 73 HB THR 9 HB THR 9 5.244 -8.421 2.655 74 HG1 THR 9 HG1 THR 9 3.446 -9.022 1.029 75 1HG2 THR 9 HG21 THR 9 3.207 -8.398 4.665 76 2HG2 THR 9 HG22 THR 9 3.516 -10.066 4.174 77 3HG2 THR 9 HG23 THR 9 4.841 -9.057 4.764 78 H ALA 10 HN ALA 10 2.298 -7.579 0.338 79 HA ALA 10 HA ALA 10 4.150 -6.400 -1.455 80 1HB ALA 10 HB2 ALA 10 1.101 -6.304 -1.472 81 2HB ALA 10 HB3 ALA 10 2.067 -5.685 -2.806 82 3HB ALA 10 HB1 ALA 10 2.108 -7.409 -2.411 83 H CYS 11 HN CYS 11 1.686 -5.151 0.647 84 HA CYS 11 HA CYS 11 1.797 -2.404 -0.042 85 1HB CYS 11 HB2 CYS 11 1.052 -3.746 2.602 86 2HB CYS 11 HB3 CYS 11 0.485 -2.166 2.024 87 H ARG 12 HN ARG 12 3.174 -3.900 2.936 88 HA ARG 12 HA ARG 12 4.805 -1.901 3.850 89 1HB ARG 12 HB2 ARG 12 4.618 -4.354 4.637 90 2HB ARG 12 HB3 ARG 12 5.949 -4.667 3.509 91 1HG ARG 12 HG2 ARG 12 6.866 -2.431 4.713 92 2HG ARG 12 HG3 ARG 12 5.952 -3.144 6.046 93 1HD ARG 12 HD2 ARG 12 7.271 -5.335 5.042 94 2HD ARG 12 HD3 ARG 12 8.463 -4.058 4.799 95 HE ARG 12 HE ARG 12 7.327 -4.850 7.441 96 1HH1 ARG 12 HH12 ARG 12 8.641 -2.083 6.289 97 2HH1 ARG 12 HH11 ARG 12 10.096 -2.125 7.227 98 1HH2 ARG 12 HH22 ARG 12 9.619 -5.384 8.311 99 2HH2 ARG 12 HH21 ARG 12 10.649 -3.993 8.372 100 H HIS 13 HN HIS 13 5.283 -3.713 0.869 101 HA HIS 13 HA HIS 13 7.994 -2.822 0.460 102 1HB HIS 13 HB2 HIS 13 6.526 -4.578 -0.905 103 2HB HIS 13 HB3 HIS 13 6.026 -3.153 -1.817 104 HD1 HIS 13 HD1 HIS 13 7.373 -3.112 -3.913 105 HD2 HIS 13 HD2 HIS 13 9.702 -4.176 -0.623 106 HE1 HIS 13 HE1 HIS 13 9.747 -3.328 -4.758 107 H ALA 14 HN ALA 14 4.924 -1.698 -0.977 108 HA ALA 14 HA ALA 14 5.665 0.686 -2.103 109 1HB ALA 14 HB1 ALA 14 3.337 -0.212 -2.036 110 2HB ALA 14 HB2 ALA 14 3.180 0.473 -0.417 111 3HB ALA 14 HB3 ALA 14 3.475 1.532 -1.805 112 H LYS 15 HN LYS 15 4.886 0.447 1.432 113 HA LYS 15 HA LYS 15 5.370 3.237 1.847 114 1HB LYS 15 HB2 LYS 15 4.161 2.333 3.574 115 2HB LYS 15 HB3 LYS 15 5.009 0.801 3.547 116 1HG LYS 15 HG2 LYS 15 5.626 2.005 5.563 117 2HG LYS 15 HG3 LYS 15 7.016 1.891 4.481 118 1HD LYS 15 HD2 LYS 15 6.627 4.172 3.683 119 2HD LYS 15 HD3 LYS 15 5.192 4.303 4.702 120 1HE LYS 15 HE2 LYS 15 7.990 3.800 5.751 121 2HE LYS 15 HE3 LYS 15 7.199 5.377 5.728 122 1HZ LYS 15 HZ1 LYS 15 5.363 4.309 7.027 123 2HZ LYS 15 HZ2 LYS 15 6.371 2.953 7.217 124 3HZ LYS 15 HZ3 LYS 15 6.832 4.460 7.856 125 H SER 16 HN SER 16 7.607 0.363 2.387 126 HA SER 16 HA SER 16 9.793 2.291 2.851 127 1HB SER 16 HB2 SER 16 9.269 -0.358 3.627 128 2HB SER 16 HB3 SER 16 10.584 -0.458 2.465 129 HG SER 16 HG SER 16 10.430 0.882 4.945 130 H LEU 17 HN LEU 17 8.287 1.546 0.166 131 HA LEU 17 HA LEU 17 10.348 0.574 -1.653 132 1HB LEU 17 HB2 LEU 17 7.530 1.254 -1.600 133 2HB LEU 17 HB3 LEU 17 8.347 1.740 -3.090 134 HG LEU 17 HG LEU 17 8.513 -0.964 -1.814 135 1HD1 LEU 17 HD11 LEU 17 6.647 0.366 -3.654 136 2HD1 LEU 17 HD12 LEU 17 7.300 -1.115 -4.364 137 3HD1 LEU 17 HD13 LEU 17 6.441 -1.174 -2.820 138 1HD2 LEU 17 HD21 LEU 17 10.010 0.499 -3.830 139 2HD2 LEU 17 HD22 LEU 17 10.400 -1.055 -3.090 140 3HD2 LEU 17 HD23 LEU 17 9.357 -0.992 -4.521 141 H GLY 18 HN GLY 18 8.246 3.349 -1.667 142 1HA GLY 18 HA1 GLY 18 9.721 5.608 -1.719 143 2HA GLY 18 HA2 GLY 18 10.076 4.905 -3.322 144 H ASN 19 HN ASN 19 7.340 3.549 -3.293 145 HA ASN 19 HA ASN 19 6.000 5.629 -4.719 146 1HB ASN 19 HB2 ASN 19 5.319 2.794 -3.920 147 2HB ASN 19 HB3 ASN 19 4.079 3.810 -4.513 148 1HD2 ASN 19 HD22 ASN 19 5.545 1.914 -7.327 149 2HD2 ASN 19 HD21 ASN 19 4.781 1.524 -5.859 150 H CYS 20 HN CYS 20 4.581 3.750 -1.988 151 HA CYS 20 HA CYS 20 2.958 4.516 -0.430 152 1HB CYS 20 HB2 CYS 20 5.368 4.818 0.438 153 2HB CYS 20 HB3 CYS 20 5.099 6.533 0.149 154 H ARG 21 HN ARG 21 2.726 5.841 -3.012 155 HA ARG 21 HA ARG 21 0.723 7.628 -2.883 156 1HB ARG 21 HB2 ARG 21 3.160 8.865 -1.835 157 2HB ARG 21 HB3 ARG 21 2.243 9.860 -2.974 158 1HG ARG 21 HG2 ARG 21 0.383 9.973 -1.597 159 2HG ARG 21 HG3 ARG 21 0.730 8.421 -0.832 160 1HD ARG 21 HD2 ARG 21 2.372 9.345 0.586 161 2HD ARG 21 HD3 ARG 21 2.535 10.795 -0.402 162 HE ARG 21 HE ARG 21 -0.127 10.449 0.768 163 1HH1 ARG 21 HH12 ARG 21 2.792 10.838 2.279 164 2HH1 ARG 21 HH11 ARG 21 2.478 12.418 2.915 165 1HH2 ARG 21 HH22 ARG 21 -0.431 12.866 1.081 166 2HH2 ARG 21 HH21 ARG 21 0.653 13.567 2.236 167 H THR 22 HN THR 22 3.760 6.870 -4.501 168 HA THR 22 HA THR 22 3.023 8.597 -6.782 169 HB THR 22 HB THR 22 5.192 8.205 -7.610 170 HG1 THR 22 HG1 THR 22 4.848 5.786 -6.283 171 1HG2 THR 22 HG22 THR 22 4.900 8.764 -4.839 172 2HG2 THR 22 HG23 THR 22 6.319 7.734 -5.026 173 3HG2 THR 22 HG21 THR 22 6.208 9.252 -5.915 174 H SER 23 HN SER 23 2.697 5.365 -5.667 175 HA SER 23 HA SER 23 1.928 4.444 -8.410 176 1HB SER 23 HB2 SER 23 3.260 3.185 -6.050 177 2HB SER 23 HB3 SER 23 1.973 2.222 -6.777 178 HG SER 23 HG SER 23 3.049 2.205 -8.678 179 H GLN 24 HN GLN 24 -0.322 4.340 -8.699 180 HA GLN 24 HA GLN 24 -1.959 5.101 -6.454 181 1HB GLN 24 HB2 GLN 24 -2.419 4.463 -9.291 182 2HB GLN 24 HB3 GLN 24 -3.764 4.031 -8.232 183 1HG GLN 24 HG2 GLN 24 -3.717 6.320 -7.270 184 2HG GLN 24 HG3 GLN 24 -2.436 6.751 -8.405 185 1HE2 GLN 24 HE22 GLN 24 -4.617 7.044 -11.191 186 2HE2 GLN 24 HE21 GLN 24 -3.001 6.957 -10.683 187 H LYS 25 HN LYS 25 -1.312 1.891 -7.949 188 HA LYS 25 HA LYS 25 -3.178 0.675 -6.093 189 1HB LYS 25 HB2 LYS 25 -2.372 -0.139 -8.479 190 2HB LYS 25 HB3 LYS 25 -1.173 -1.000 -7.474 191 1HG LYS 25 HG2 LYS 25 -2.762 -2.066 -6.178 192 2HG LYS 25 HG3 LYS 25 -4.010 -0.917 -6.598 193 1HD LYS 25 HD2 LYS 25 -2.882 -2.618 -8.800 194 2HD LYS 25 HD3 LYS 25 -4.044 -3.349 -7.689 195 1HE LYS 25 HE2 LYS 25 -5.780 -2.015 -8.392 196 2HE LYS 25 HE3 LYS 25 -4.720 -0.665 -8.798 197 1HZ LYS 25 HZ2 LYS 25 -4.730 -3.199 -10.327 198 2HZ LYS 25 HZ3 LYS 25 -5.740 -1.891 -10.726 199 3HZ LYS 25 HZ1 LYS 25 -4.057 -1.706 -10.781 200 H TYR 26 HN TYR 26 -0.455 2.021 -5.428 201 HA TYR 26 HA TYR 26 0.614 -0.137 -3.667 202 1HB TYR 26 HB2 TYR 26 1.822 2.295 -4.925 203 2HB TYR 26 HB3 TYR 26 2.500 1.753 -3.377 204 HD1 TYR 26 HD1 TYR 26 0.923 0.039 -6.270 205 HD2 TYR 26 HD2 TYR 26 4.283 0.205 -3.600 206 HE1 TYR 26 HE1 TYR 26 1.834 -1.965 -7.310 207 HE2 TYR 26 HE2 TYR 26 5.220 -1.831 -4.660 208 HH TYR 26 HH TYR 26 3.453 -3.873 -6.600 209 H ARG 27 HN ARG 27 0.435 3.338 -3.847 210 HA ARG 27 HA ARG 27 0.290 4.028 -1.147 211 1HB ARG 27 HB2 ARG 27 -0.019 6.196 -1.941 212 2HB ARG 27 HB3 ARG 27 0.516 5.410 -3.424 213 1HG ARG 27 HG2 ARG 27 -1.698 5.239 -4.241 214 2HG ARG 27 HG3 ARG 27 -2.406 5.718 -2.682 215 1HD ARG 27 HD2 ARG 27 -0.632 7.473 -4.410 216 2HD ARG 27 HD3 ARG 27 -2.392 7.586 -4.306 217 HE ARG 27 HE ARG 27 -0.773 7.904 -1.826 218 1HH1 ARG 27 HH22 ARG 27 -3.094 8.434 -0.977 219 2HH1 ARG 27 HH21 ARG 27 -3.569 10.056 -1.394 220 1HH2 ARG 27 HH12 ARG 27 -1.152 10.242 -3.926 221 2HH2 ARG 27 HH11 ARG 27 -2.424 11.102 -3.123 222 H ALA 28 HN ALA 28 -2.339 3.587 -3.520 223 HA ALA 28 HA ALA 28 -4.367 3.700 -1.388 224 1HB ALA 28 HB1 ALA 28 -4.417 4.493 -3.986 225 2HB ALA 28 HB2 ALA 28 -5.202 2.917 -4.106 226 3HB ALA 28 HB3 ALA 28 -5.859 4.149 -3.029 227 H ASN 29 HN ASN 29 -3.272 1.216 -3.796 228 HA ASN 29 HA ASN 29 -5.064 -0.689 -2.605 229 1HB ASN 29 HB2 ASN 29 -3.284 -0.678 -4.821 230 2HB ASN 29 HB3 ASN 29 -3.017 -2.170 -3.904 231 1HD2 ASN 29 HD21 ASN 29 -5.983 -0.219 -4.614 232 2HD2 ASN 29 HD22 ASN 29 -6.858 -1.522 -5.258 233 H CYS 30 HN CYS 30 -2.335 0.654 -1.395 234 HA CYS 30 HA CYS 30 -2.137 -1.495 0.604 235 1HB CYS 30 HB2 CYS 30 0.126 -0.633 -1.226 236 2HB CYS 30 HB3 CYS 30 0.459 -1.209 0.417 237 H ALA 31 HN ALA 31 -3.424 0.700 0.819 238 HA ALA 31 HA ALA 31 -2.133 3.039 1.862 239 1HB ALA 31 HB1 ALA 31 -4.799 1.953 1.398 240 2HB ALA 31 HB2 ALA 31 -4.719 2.949 2.853 241 3HB ALA 31 HB3 ALA 31 -4.233 3.619 1.295 242 H LYS 32 HN LYS 32 -2.272 -0.023 3.187 243 HA LYS 32 HA LYS 32 -2.826 0.679 5.997 244 1HB LYS 32 HB2 LYS 32 -2.895 -1.592 6.304 245 2HB LYS 32 HB3 LYS 32 -3.094 -1.574 4.547 246 1HG LYS 32 HG2 LYS 32 -0.643 -1.841 4.291 247 2HG LYS 32 HG3 LYS 32 -0.487 -1.937 6.046 248 1HD LYS 32 HD2 LYS 32 -2.402 -3.821 5.600 249 2HD LYS 32 HD3 LYS 32 -1.449 -3.961 4.120 250 1HE LYS 32 HE2 LYS 32 0.220 -5.018 5.232 251 2HE LYS 32 HE3 LYS 32 0.300 -3.678 6.383 252 1HZ LYS 32 HZ3 LYS 32 -1.849 -5.684 6.573 253 2HZ LYS 32 HZ1 LYS 32 -0.326 -5.999 7.240 254 3HZ LYS 32 HZ2 LYS 32 -1.225 -4.661 7.779 255 H THR 33 HN THR 33 -0.266 -0.065 3.873 256 HA THR 33 HA THR 33 1.956 0.018 5.829 257 HB THR 33 HB THR 33 1.274 -1.174 3.364 258 HG1 THR 33 HG1 THR 33 2.353 -1.920 5.309 259 1HG2 THR 33 HG22 THR 33 3.103 0.960 2.811 260 2HG2 THR 33 HG23 THR 33 3.992 -0.572 2.785 261 3HG2 THR 33 HG21 THR 33 2.584 -0.346 1.767 262 H CYS 34 HN CYS 34 0.568 2.048 3.392 263 HA CYS 34 HA CYS 34 2.670 4.114 3.742 264 1HB CYS 34 HB2 CYS 34 1.677 3.439 1.530 265 2HB CYS 34 HB3 CYS 34 0.156 4.150 2.046 266 H GLU 35 HN GLU 35 -0.444 3.195 4.910 267 HA GLU 35 HA GLU 35 -1.845 4.089 6.449 268 1HB GLU 35 HB2 GLU 35 0.444 6.052 6.775 269 2HB GLU 35 HB3 GLU 35 -1.007 6.063 7.810 270 1HG GLU 35 HG2 GLU 35 -0.758 3.758 8.359 271 2HG GLU 35 HG3 GLU 35 0.598 3.583 7.250 272 H LEU 36 HN LEU 36 -1.969 4.560 3.768 273 HA LEU 36 HA LEU 36 -3.051 7.265 3.320 274 1HB LEU 36 HB2 LEU 36 -2.812 4.782 1.652 275 2HB LEU 36 HB3 LEU 36 -3.326 6.296 0.973 276 HG LEU 36 HG LEU 36 -0.671 5.831 2.364 277 1HD1 LEU 36 HD11 LEU 36 -1.542 5.799 -0.511 278 2HD1 LEU 36 HD12 LEU 36 0.109 6.270 -0.082 279 3HD1 LEU 36 HD13 LEU 36 -0.512 4.679 0.380 280 1HD2 LEU 36 HD22 LEU 36 -2.012 8.220 1.100 281 2HD2 LEU 36 HD23 LEU 36 -1.079 8.139 2.594 282 3HD2 LEU 36 HD21 LEU 36 -0.255 8.080 1.037 283 H CYS 37 HN CYS 37 -4.107 4.360 4.735 284 HA CYS 37 HA CYS 37 -6.823 4.490 3.594 285 1HB CYS 37 HB2 CYS 37 -5.905 2.288 4.145 286 2HB CYS 37 HB3 CYS 37 -5.639 2.791 5.814 No H/Q in entry = 286 Start of MODEL 9 1 1H VAL 1 HN VAL 1 -13.731 1.742 -1.257 2 2H VAL 1 HN3 VAL 1 -14.997 0.789 -0.659 3 3H VAL 1 HN2 VAL 1 -14.913 2.438 -0.251 4 HA VAL 1 HA VAL 1 -13.537 2.083 1.439 5 HB VAL 1 HB VAL 1 -14.312 -0.756 0.726 6 1HG1 VAL 1 HG11 VAL 1 -12.776 0.336 3.088 7 2HG1 VAL 1 HG12 VAL 1 -13.664 -1.184 3.170 8 3HG1 VAL 1 HG13 VAL 1 -12.333 -1.001 2.027 9 1HG2 VAL 1 HG21 VAL 1 -16.043 1.000 1.449 10 2HG2 VAL 1 HG22 VAL 1 -15.993 -0.481 2.405 11 3HG2 VAL 1 HG23 VAL 1 -15.240 0.990 3.018 12 H CYS 2 HN CYS 2 -11.364 2.371 1.480 13 HA CYS 2 HA CYS 2 -9.730 0.753 -0.412 14 1HB CYS 2 HB2 CYS 2 -7.970 2.563 0.075 15 2HB CYS 2 HB3 CYS 2 -9.385 3.073 -0.845 16 H ARG 3 HN ARG 3 -7.385 0.376 0.527 17 HA ARG 3 HA ARG 3 -6.486 0.303 3.075 18 1HB ARG 3 HB2 ARG 3 -7.345 -2.021 3.872 19 2HB ARG 3 HB3 ARG 3 -8.431 -0.646 4.083 20 1HG ARG 3 HG2 ARG 3 -9.973 -1.642 2.795 21 2HG ARG 3 HG3 ARG 3 -8.829 -1.693 1.452 22 1HD ARG 3 HD2 ARG 3 -9.489 -3.963 1.884 23 2HD ARG 3 HD3 ARG 3 -7.848 -3.783 2.500 24 HE ARG 3 HE ARG 3 -9.058 -4.740 4.372 25 1HH1 ARG 3 HH12 ARG 3 -11.647 -3.233 3.382 26 2HH1 ARG 3 HH11 ARG 3 -11.924 -2.221 4.760 27 1HH2 ARG 3 HH22 ARG 3 -8.783 -2.763 6.123 28 2HH2 ARG 3 HH21 ARG 3 -10.304 -1.956 6.311 29 H ASP 4 HN ASP 4 -5.214 -1.970 3.499 30 HA ASP 4 HA ASP 4 -3.515 -2.397 1.299 31 1HB ASP 4 HB2 ASP 4 -2.497 -3.854 2.721 32 2HB ASP 4 HB3 ASP 4 -3.778 -3.488 3.879 33 H TRP 5 HN TRP 5 -3.540 -4.148 -0.381 34 HA TRP 5 HA TRP 5 -6.133 -5.593 -0.528 35 1HB TRP 5 HB2 TRP 5 -5.179 -3.522 -2.479 36 2HB TRP 5 HB3 TRP 5 -6.039 -4.935 -3.107 37 HD1 TRP 5 HD1 TRP 5 -6.599 -1.699 -1.430 38 HE1 TRP 5 HE1 TRP 5 -9.073 -1.435 -0.748 39 HE3 TRP 5 HE3 TRP 5 -8.197 -6.468 -2.171 40 HZ2 TRP 5 HZ2 TRP 5 -11.432 -3.059 -0.544 41 HZ3 TRP 5 HZ3 TRP 5 -10.554 -7.094 -1.728 42 HH2 TRP 5 HH2 TRP 5 -12.170 -5.403 -0.919 43 H PHE 6 HN PHE 6 -2.687 -5.251 -1.629 44 HA PHE 6 HA PHE 6 -2.939 -7.759 -3.101 45 1HB PHE 6 HB2 PHE 6 -0.481 -6.242 -2.102 46 2HB PHE 6 HB3 PHE 6 -0.479 -7.535 -3.297 47 HD1 PHE 6 HD2 PHE 6 -3.374 -6.187 -4.211 48 HD2 PHE 6 HD1 PHE 6 0.752 -5.017 -3.990 49 HE1 PHE 6 HE2 PHE 6 -3.752 -4.547 -5.990 50 HE2 PHE 6 HE1 PHE 6 0.396 -3.379 -5.760 51 HZ PHE 6 HZ PHE 6 -1.869 -3.135 -6.774 52 H LYS 7 HN LYS 7 -0.212 -8.550 -1.719 53 HA LYS 7 HA LYS 7 -1.450 -9.867 0.593 54 1HB LYS 7 HB2 LYS 7 0.727 -10.539 -0.893 55 2HB LYS 7 HB3 LYS 7 1.545 -9.570 0.334 56 1HG LYS 7 HG2 LYS 7 1.428 -12.018 0.891 57 2HG LYS 7 HG3 LYS 7 0.693 -10.975 2.108 58 1HD LYS 7 HD2 LYS 7 -1.240 -11.694 0.071 59 2HD LYS 7 HD3 LYS 7 -0.533 -13.135 0.804 60 1HE LYS 7 HE2 LYS 7 -0.965 -12.013 3.067 61 2HE LYS 7 HE3 LYS 7 -1.977 -10.870 2.185 62 1HZ LYS 7 HZ1 LYS 7 -2.322 -13.807 1.990 63 2HZ LYS 7 HZ2 LYS 7 -3.148 -12.854 3.129 64 3HZ LYS 7 HZ3 LYS 7 -3.388 -12.601 1.465 65 H GLU 8 HN GLU 8 -0.964 -9.065 2.875 66 HA GLU 8 HA GLU 8 -0.902 -6.228 3.083 67 1HB GLU 8 HB2 GLU 8 0.061 -8.279 5.108 68 2HB GLU 8 HB3 GLU 8 -0.273 -6.584 5.463 69 1HG GLU 8 HG2 GLU 8 -2.537 -6.866 5.386 70 2HG GLU 8 HG3 GLU 8 -2.447 -8.069 4.098 71 H THR 9 HN THR 9 1.700 -8.404 2.366 72 HA THR 9 HA THR 9 3.658 -6.381 3.189 73 HB THR 9 HB THR 9 5.284 -8.197 2.378 74 HG1 THR 9 HG1 THR 9 3.645 -10.208 2.615 75 1HG2 THR 9 HG21 THR 9 3.554 -7.864 4.643 76 2HG2 THR 9 HG22 THR 9 3.920 -9.580 4.429 77 3HG2 THR 9 HG23 THR 9 5.232 -8.411 4.612 78 H ALA 10 HN ALA 10 2.141 -7.511 0.218 79 HA ALA 10 HA ALA 10 3.981 -6.489 -1.705 80 1HB ALA 10 HB2 ALA 10 1.235 -7.252 -1.817 81 2HB ALA 10 HB3 ALA 10 1.251 -5.553 -2.270 82 3HB ALA 10 HB1 ALA 10 2.209 -6.712 -3.188 83 H CYS 11 HN CYS 11 1.560 -5.096 0.315 84 HA CYS 11 HA CYS 11 1.702 -2.360 -0.415 85 1HB CYS 11 HB2 CYS 11 0.887 -3.774 2.166 86 2HB CYS 11 HB3 CYS 11 0.364 -2.159 1.650 87 H ARG 12 HN ARG 12 3.052 -3.906 2.532 88 HA ARG 12 HA ARG 12 4.624 -1.828 3.493 89 1HB ARG 12 HB2 ARG 12 4.306 -4.284 4.321 90 2HB ARG 12 HB3 ARG 12 5.794 -4.584 3.411 91 1HG ARG 12 HG2 ARG 12 6.604 -2.396 4.657 92 2HG ARG 12 HG3 ARG 12 5.361 -2.865 5.820 93 1HD ARG 12 HD2 ARG 12 6.750 -4.401 6.692 94 2HD ARG 12 HD3 ARG 12 6.824 -5.214 5.128 95 HE ARG 12 HE ARG 12 8.576 -2.987 5.014 96 1HH1 ARG 12 HH12 ARG 12 8.914 -4.176 7.865 97 2HH1 ARG 12 HH11 ARG 12 10.273 -5.216 7.601 98 1HH2 ARG 12 HH22 ARG 12 10.020 -5.108 4.143 99 2HH2 ARG 12 HH21 ARG 12 10.901 -5.743 5.493 100 H HIS 13 HN HIS 13 5.341 -3.784 0.633 101 HA HIS 13 HA HIS 13 8.086 -2.883 0.445 102 1HB HIS 13 HB2 HIS 13 6.521 -4.647 -1.014 103 2HB HIS 13 HB3 HIS 13 6.586 -3.253 -2.103 104 HD1 HIS 13 HD1 HIS 13 9.090 -5.206 0.047 105 HD2 HIS 13 HD2 HIS 13 8.860 -3.202 -3.586 106 HE1 HIS 13 HE1 HIS 13 11.357 -5.460 -1.054 107 H ALA 14 HN ALA 14 5.089 -1.842 -1.173 108 HA ALA 14 HA ALA 14 6.089 0.631 -2.175 109 1HB ALA 14 HB2 ALA 14 3.558 -0.699 -1.935 110 2HB ALA 14 HB3 ALA 14 3.367 0.993 -1.473 111 3HB ALA 14 HB1 ALA 14 4.039 0.588 -3.058 112 H LYS 15 HN LYS 15 5.671 -0.203 1.181 113 HA LYS 15 HA LYS 15 5.060 2.592 1.859 114 1HB LYS 15 HB2 LYS 15 4.142 1.393 3.590 115 2HB LYS 15 HB3 LYS 15 5.274 0.053 3.388 116 1HG LYS 15 HG2 LYS 15 7.043 1.351 4.473 117 2HG LYS 15 HG3 LYS 15 5.939 2.718 4.667 118 1HD LYS 15 HD2 LYS 15 4.610 0.469 5.740 119 2HD LYS 15 HD3 LYS 15 6.268 0.381 6.324 120 1HE LYS 15 HE2 LYS 15 6.092 2.799 7.001 121 2HE LYS 15 HE3 LYS 15 4.374 2.728 6.609 122 1HZ LYS 15 HZ3 LYS 15 4.690 0.552 8.153 123 2HZ LYS 15 HZ1 LYS 15 5.799 1.616 8.864 124 3HZ LYS 15 HZ2 LYS 15 4.166 2.068 8.719 125 H SER 16 HN SER 16 7.925 0.393 2.611 126 HA SER 16 HA SER 16 9.474 2.869 3.103 127 1HB SER 16 HB2 SER 16 9.515 0.359 4.260 128 2HB SER 16 HB3 SER 16 10.888 0.317 3.162 129 HG SER 16 HG SER 16 11.215 2.574 4.183 130 H LEU 17 HN LEU 17 8.581 1.495 0.403 131 HA LEU 17 HA LEU 17 11.071 0.949 -1.045 132 1HB LEU 17 HB2 LEU 17 8.180 1.062 -1.549 133 2HB LEU 17 HB3 LEU 17 9.242 1.402 -2.904 134 HG LEU 17 HG LEU 17 9.513 -1.023 -1.131 135 1HD1 LEU 17 HD11 LEU 17 7.550 -0.232 -2.909 136 2HD1 LEU 17 HD12 LEU 17 8.580 -1.219 -3.950 137 3HD1 LEU 17 HD13 LEU 17 7.838 -1.920 -2.506 138 1HD2 LEU 17 HD23 LEU 17 11.070 0.392 -3.123 139 2HD2 LEU 17 HD21 LEU 17 11.543 -1.057 -2.231 140 3HD2 LEU 17 HD22 LEU 17 10.660 -1.212 -3.759 141 H GLY 18 HN GLY 18 8.356 3.081 -1.658 142 1HA GLY 18 HA1 GLY 18 9.345 5.616 -1.840 143 2HA GLY 18 HA2 GLY 18 9.966 4.817 -3.313 144 H ASN 19 HN ASN 19 7.763 3.011 -3.694 145 HA ASN 19 HA ASN 19 6.028 4.546 -5.334 146 1HB ASN 19 HB2 ASN 19 4.875 2.124 -4.218 147 2HB ASN 19 HB3 ASN 19 5.019 2.636 -5.828 148 1HD2 ASN 19 HD22 ASN 19 7.220 -0.368 -4.896 149 2HD2 ASN 19 HD21 ASN 19 5.685 0.050 -4.305 150 H CYS 20 HN CYS 20 5.900 3.669 -1.955 151 HA CYS 20 HA CYS 20 3.411 3.421 -1.055 152 1HB CYS 20 HB2 CYS 20 4.585 4.052 0.790 153 2HB CYS 20 HB3 CYS 20 5.480 5.316 -0.079 154 H ARG 21 HN ARG 21 4.442 6.488 -2.519 155 HA ARG 21 HA ARG 21 1.531 7.145 -2.738 156 1HB ARG 21 HB2 ARG 21 3.421 8.568 -1.323 157 2HB ARG 21 HB3 ARG 21 3.266 9.460 -2.843 158 1HG ARG 21 HG2 ARG 21 0.661 8.601 -1.951 159 2HG ARG 21 HG3 ARG 21 1.457 9.521 -0.670 160 1HD ARG 21 HD2 ARG 21 1.816 10.685 -3.345 161 2HD ARG 21 HD3 ARG 21 0.138 10.654 -2.808 162 HE ARG 21 HE ARG 21 0.702 12.198 -1.085 163 1HH1 ARG 21 HH22 ARG 21 3.123 11.026 0.057 164 2HH1 ARG 21 HH21 ARG 21 4.376 12.107 -0.454 165 1HH2 ARG 21 HH12 ARG 21 2.464 13.571 -2.949 166 2HH2 ARG 21 HH11 ARG 21 4.003 13.547 -2.155 167 H THR 22 HN THR 22 4.377 6.614 -4.597 168 HA THR 22 HA THR 22 3.424 8.348 -6.795 169 HB THR 22 HB THR 22 5.569 7.201 -7.868 170 HG1 THR 22 HG1 THR 22 6.707 7.229 -5.439 171 1HG2 THR 22 HG22 THR 22 5.218 9.616 -7.256 172 2HG2 THR 22 HG23 THR 22 5.851 9.241 -5.653 173 3HG2 THR 22 HG21 THR 22 6.880 9.054 -7.073 174 H SER 23 HN SER 23 2.708 5.291 -5.687 175 HA SER 23 HA SER 23 2.176 4.339 -8.466 176 1HB SER 23 HB2 SER 23 3.932 3.037 -7.290 177 2HB SER 23 HB3 SER 23 2.859 2.786 -5.933 178 HG SER 23 HG SER 23 1.551 2.033 -8.103 179 H GLN 24 HN GLN 24 -0.015 3.762 -8.814 180 HA GLN 24 HA GLN 24 -1.868 4.895 -6.955 181 1HB GLN 24 HB2 GLN 24 -2.642 5.044 -9.104 182 2HB GLN 24 HB3 GLN 24 -2.093 3.425 -9.538 183 1HG GLN 24 HG2 GLN 24 -3.975 2.419 -8.741 184 2HG GLN 24 HG3 GLN 24 -4.170 3.578 -7.423 185 1HE2 GLN 24 HE22 GLN 24 -6.687 4.085 -10.309 186 2HE2 GLN 24 HE21 GLN 24 -6.120 2.637 -9.628 187 H LYS 25 HN LYS 25 -2.142 1.452 -8.028 188 HA LYS 25 HA LYS 25 -3.721 0.676 -5.840 189 1HB LYS 25 HB2 LYS 25 -2.463 -0.629 -7.923 190 2HB LYS 25 HB3 LYS 25 -1.652 -1.301 -6.508 191 1HG LYS 25 HG2 LYS 25 -3.568 -2.299 -5.696 192 2HG LYS 25 HG3 LYS 25 -4.616 -1.054 -6.364 193 1HD LYS 25 HD2 LYS 25 -3.146 -2.932 -8.200 194 2HD LYS 25 HD3 LYS 25 -4.672 -3.415 -7.459 195 1HE LYS 25 HE2 LYS 25 -4.571 -0.726 -8.743 196 2HE LYS 25 HE3 LYS 25 -4.605 -2.134 -9.805 197 1HZ LYS 25 HZ3 LYS 25 -6.465 -2.393 -7.666 198 2HZ LYS 25 HZ1 LYS 25 -6.753 -0.975 -8.546 199 3HZ LYS 25 HZ2 LYS 25 -6.729 -2.477 -9.343 200 H TYR 26 HN TYR 26 -0.231 0.662 -6.115 201 HA TYR 26 HA TYR 26 0.697 -0.256 -3.625 202 1HB TYR 26 HB2 TYR 26 1.446 1.470 -5.855 203 2HB TYR 26 HB3 TYR 26 2.406 1.669 -4.389 204 HD1 TYR 26 HD2 TYR 26 0.873 -1.660 -4.799 205 HD2 TYR 26 HD1 TYR 26 4.250 0.808 -5.736 206 HE1 TYR 26 HE2 TYR 26 2.182 -3.642 -5.287 207 HE2 TYR 26 HE1 TYR 26 5.605 -1.187 -6.234 208 HH TYR 26 HH TYR 26 5.650 -3.449 -6.182 209 H ARG 27 HN ARG 27 -0.483 3.107 -4.356 210 HA ARG 27 HA ARG 27 0.247 3.848 -1.617 211 1HB ARG 27 HB2 ARG 27 -0.032 6.091 -2.319 212 2HB ARG 27 HB3 ARG 27 0.398 5.279 -3.820 213 1HG ARG 27 HG2 ARG 27 -1.819 5.280 -4.584 214 2HG ARG 27 HG3 ARG 27 -2.467 5.720 -2.983 215 1HD ARG 27 HD2 ARG 27 -0.479 7.629 -3.891 216 2HD ARG 27 HD3 ARG 27 -1.804 7.487 -5.051 217 HE ARG 27 HE ARG 27 -2.992 7.643 -2.504 218 1HH1 ARG 27 HH12 ARG 27 -3.206 9.553 -4.955 219 2HH1 ARG 27 HH11 ARG 27 -2.808 11.058 -4.195 220 1HH2 ARG 27 HH22 ARG 27 -1.516 9.568 -1.339 221 2HH2 ARG 27 HH21 ARG 27 -1.849 11.067 -2.140 222 H ALA 28 HN ALA 28 -2.756 3.702 -3.508 223 HA ALA 28 HA ALA 28 -4.380 3.919 -1.077 224 1HB ALA 28 HB3 ALA 28 -4.807 4.509 -3.762 225 2HB ALA 28 HB1 ALA 28 -5.776 3.058 -3.498 226 3HB ALA 28 HB2 ALA 28 -6.041 4.490 -2.502 227 H ASN 29 HN ASN 29 -4.089 1.386 -3.673 228 HA ASN 29 HA ASN 29 -5.580 -0.462 -2.241 229 1HB ASN 29 HB2 ASN 29 -3.620 -0.817 -4.407 230 2HB ASN 29 HB3 ASN 29 -3.766 -2.218 -3.351 231 1HD2 ASN 29 HD22 ASN 29 -7.211 -0.993 -5.248 232 2HD2 ASN 29 HD21 ASN 29 -6.075 0.179 -4.779 233 H CYS 30 HN CYS 30 -2.332 0.558 -1.683 234 HA CYS 30 HA CYS 30 -2.114 -1.424 0.539 235 1HB CYS 30 HB2 CYS 30 -0.064 -0.363 -1.415 236 2HB CYS 30 HB3 CYS 30 0.425 -1.098 0.119 237 H ALA 31 HN ALA 31 -3.457 0.798 0.895 238 HA ALA 31 HA ALA 31 -1.917 3.066 1.855 239 1HB ALA 31 HB3 ALA 31 -4.370 2.809 0.883 240 2HB ALA 31 HB1 ALA 31 -4.778 2.536 2.570 241 3HB ALA 31 HB2 ALA 31 -4.025 4.054 2.086 242 H LYS 32 HN LYS 32 -2.501 0.020 3.119 243 HA LYS 32 HA LYS 32 -2.858 0.797 5.947 244 1HB LYS 32 HB2 LYS 32 -3.810 -1.253 5.812 245 2HB LYS 32 HB3 LYS 32 -2.973 -1.626 4.308 246 1HG LYS 32 HG2 LYS 32 -1.486 -1.661 6.933 247 2HG LYS 32 HG3 LYS 32 -2.427 -3.053 6.416 248 1HD LYS 32 HD2 LYS 32 -1.030 -2.525 4.136 249 2HD LYS 32 HD3 LYS 32 0.133 -2.017 5.358 250 1HE LYS 32 HE2 LYS 32 -1.088 -4.738 4.940 251 2HE LYS 32 HE3 LYS 32 0.617 -4.330 5.092 252 1HZ LYS 32 HZ3 LYS 32 -0.145 -3.505 7.429 253 2HZ LYS 32 HZ1 LYS 32 -1.434 -4.576 7.181 254 3HZ LYS 32 HZ2 LYS 32 0.164 -5.154 7.156 255 H THR 33 HN THR 33 -0.390 0.039 3.676 256 HA THR 33 HA THR 33 1.754 -0.410 5.654 257 HB THR 33 HB THR 33 1.000 -1.269 3.127 258 HG1 THR 33 HG1 THR 33 2.257 -2.179 4.939 259 1HG2 THR 33 HG23 THR 33 2.643 0.933 2.590 260 2HG2 THR 33 HG21 THR 33 3.717 -0.469 2.545 261 3HG2 THR 33 HG22 THR 33 2.288 -0.410 1.523 262 H CYS 34 HN CYS 34 0.472 2.094 3.638 263 HA CYS 34 HA CYS 34 2.739 3.847 4.507 264 1HB CYS 34 HB2 CYS 34 2.009 3.468 1.968 265 2HB CYS 34 HB3 CYS 34 0.844 4.682 2.367 266 H GLU 35 HN GLU 35 -0.462 3.115 5.180 267 HA GLU 35 HA GLU 35 -2.084 4.174 6.392 268 1HB GLU 35 HB2 GLU 35 0.297 5.924 7.035 269 2HB GLU 35 HB3 GLU 35 -1.287 6.113 7.841 270 1HG GLU 35 HG2 GLU 35 -1.359 3.831 8.484 271 2HG GLU 35 HG3 GLU 35 0.077 3.452 7.540 272 H LEU 36 HN LEU 36 -1.832 4.601 3.703 273 HA LEU 36 HA LEU 36 -2.498 7.398 3.087 274 1HB LEU 36 HB2 LEU 36 -2.431 4.833 1.521 275 2HB LEU 36 HB3 LEU 36 -2.880 6.325 0.753 276 HG LEU 36 HG LEU 36 -0.341 6.095 2.321 277 1HD1 LEU 36 HD12 LEU 36 -0.351 4.295 0.587 278 2HD1 LEU 36 HD13 LEU 36 -0.652 5.518 -0.648 279 3HD1 LEU 36 HD11 LEU 36 0.860 5.531 0.257 280 1HD2 LEU 36 HD22 LEU 36 -1.573 8.249 1.226 281 2HD2 LEU 36 HD23 LEU 36 0.179 8.137 1.403 282 3HD2 LEU 36 HD21 LEU 36 -0.580 7.745 -0.141 283 H CYS 37 HN CYS 37 -4.044 4.589 4.337 284 HA CYS 37 HA CYS 37 -6.592 5.830 4.466 285 1HB CYS 37 HB2 CYS 37 -7.154 5.587 2.251 286 2HB CYS 37 HB3 CYS 37 -6.046 4.236 2.009 No H/Q in entry = 286 Start of MODEL 10 1 1H VAL 1 HN3 VAL 1 -14.130 0.424 1.393 2 2H VAL 1 HN2 VAL 1 -14.917 -0.193 2.767 3 3H VAL 1 HN VAL 1 -15.156 1.423 2.296 4 HA VAL 1 HA VAL 1 -13.380 2.120 3.404 5 HB VAL 1 HB VAL 1 -14.370 0.054 4.774 6 1HG1 VAL 1 HG13 VAL 1 -12.710 -1.415 3.370 7 2HG1 VAL 1 HG11 VAL 1 -11.506 -0.823 4.514 8 3HG1 VAL 1 HG12 VAL 1 -12.900 -1.736 5.094 9 1HG2 VAL 1 HG22 VAL 1 -12.668 2.163 5.300 10 2HG2 VAL 1 HG23 VAL 1 -13.305 1.059 6.519 11 3HG2 VAL 1 HG21 VAL 1 -11.712 0.775 5.819 12 H CYS 2 HN CYS 2 -11.095 2.327 3.281 13 HA CYS 2 HA CYS 2 -9.906 0.869 1.018 14 1HB CYS 2 HB2 CYS 2 -8.900 2.876 0.717 15 2HB CYS 2 HB3 CYS 2 -9.567 3.448 2.246 16 H ARG 3 HN ARG 3 -7.557 -0.018 1.370 17 HA ARG 3 HA ARG 3 -6.382 -0.499 3.848 18 1HB ARG 3 HB2 ARG 3 -7.209 -2.957 4.131 19 2HB ARG 3 HB3 ARG 3 -8.234 -1.656 4.738 20 1HG ARG 3 HG2 ARG 3 -9.893 -2.240 3.342 21 2HG ARG 3 HG3 ARG 3 -8.814 -2.122 1.951 22 1HD ARG 3 HD2 ARG 3 -9.822 -4.413 2.288 23 2HD ARG 3 HD3 ARG 3 -8.059 -4.392 2.244 24 HE ARG 3 HE ARG 3 -8.185 -4.434 4.794 25 1HH1 ARG 3 HH22 ARG 3 -11.332 -4.489 3.834 26 2HH1 ARG 3 HH21 ARG 3 -11.742 -6.009 4.554 27 1HH2 ARG 3 HH12 ARG 3 -8.460 -6.854 5.281 28 2HH2 ARG 3 HH11 ARG 3 -10.118 -7.349 5.373 29 H ASP 4 HN ASP 4 -4.845 -2.469 3.701 30 HA ASP 4 HA ASP 4 -3.422 -2.452 1.288 31 1HB ASP 4 HB2 ASP 4 -2.609 -4.783 2.009 32 2HB ASP 4 HB3 ASP 4 -2.375 -3.490 3.186 33 H TRP 5 HN TRP 5 -3.325 -4.265 -0.423 34 HA TRP 5 HA TRP 5 -5.958 -5.657 -0.631 35 1HB TRP 5 HB2 TRP 5 -4.897 -3.560 -2.471 36 2HB TRP 5 HB3 TRP 5 -5.722 -4.943 -3.202 37 HD1 TRP 5 HD1 TRP 5 -6.427 -1.736 -1.525 38 HE1 TRP 5 HE1 TRP 5 -8.924 -1.548 -0.926 39 HE3 TRP 5 HE3 TRP 5 -7.863 -6.564 -2.288 40 HZ2 TRP 5 HZ2 TRP 5 -11.240 -3.238 -0.788 41 HZ3 TRP 5 HZ3 TRP 5 -10.213 -7.253 -1.916 42 HH2 TRP 5 HH2 TRP 5 -11.900 -5.603 -1.169 43 H PHE 6 HN PHE 6 -2.443 -5.568 -1.423 44 HA PHE 6 HA PHE 6 -2.743 -7.923 -3.137 45 1HB PHE 6 HB2 PHE 6 -0.324 -6.503 -1.919 46 2HB PHE 6 HB3 PHE 6 -0.247 -7.775 -3.152 47 HD1 PHE 6 HD1 PHE 6 -2.330 -7.165 -4.996 48 HD2 PHE 6 HD2 PHE 6 0.239 -4.513 -2.821 49 HE1 PHE 6 HE1 PHE 6 -2.634 -5.454 -6.732 50 HE2 PHE 6 HE2 PHE 6 -0.046 -2.805 -4.525 51 HZ PHE 6 HZ PHE 6 -1.491 -3.261 -6.506 52 H LYS 7 HN LYS 7 -0.173 -8.939 -1.595 53 HA LYS 7 HA LYS 7 -1.802 -10.432 0.364 54 1HB LYS 7 HB2 LYS 7 0.523 -11.024 -1.103 55 2HB LYS 7 HB3 LYS 7 1.017 -11.012 0.591 56 1HG LYS 7 HG2 LYS 7 0.234 -13.157 0.544 57 2HG LYS 7 HG3 LYS 7 -1.318 -12.360 0.809 58 1HD LYS 7 HD2 LYS 7 -2.025 -13.314 -1.102 59 2HD LYS 7 HD3 LYS 7 -0.935 -12.220 -1.955 60 1HE LYS 7 HE2 LYS 7 0.787 -14.186 -1.094 61 2HE LYS 7 HE3 LYS 7 -0.672 -15.106 -1.464 62 1HZ LYS 7 HZ3 LYS 7 0.421 -13.090 -3.333 63 2HZ LYS 7 HZ1 LYS 7 0.948 -14.699 -3.352 64 3HZ LYS 7 HZ2 LYS 7 -0.686 -14.341 -3.653 65 H GLU 8 HN GLU 8 -1.347 -7.576 0.922 66 HA GLU 8 HA GLU 8 -1.031 -6.251 2.791 67 1HB GLU 8 HB2 GLU 8 -1.608 -8.742 3.685 68 2HB GLU 8 HB3 GLU 8 -0.100 -8.403 4.547 69 1HG GLU 8 HG2 GLU 8 -0.998 -6.544 5.648 70 2HG GLU 8 HG3 GLU 8 -2.241 -6.299 4.419 71 H THR 9 HN THR 9 1.674 -8.361 1.854 72 HA THR 9 HA THR 9 3.485 -6.534 3.294 73 HB THR 9 HB THR 9 5.175 -8.297 2.675 74 HG1 THR 9 HG1 THR 9 4.470 -9.275 0.890 75 1HG2 THR 9 HG21 THR 9 2.932 -8.350 4.404 76 2HG2 THR 9 HG22 THR 9 3.196 -10.003 3.839 77 3HG2 THR 9 HG23 THR 9 4.500 -9.125 4.649 78 H ALA 10 HN ALA 10 2.398 -7.486 0.107 79 HA ALA 10 HA ALA 10 4.328 -6.294 -1.597 80 1HB ALA 10 HB3 ALA 10 1.939 -7.407 -2.126 81 2HB ALA 10 HB1 ALA 10 1.377 -5.742 -1.990 82 3HB ALA 10 HB2 ALA 10 2.574 -6.171 -3.213 83 H CYS 11 HN CYS 11 1.696 -5.085 0.319 84 HA CYS 11 HA CYS 11 1.734 -2.328 -0.280 85 1HB CYS 11 HB2 CYS 11 1.011 -3.851 2.275 86 2HB CYS 11 HB3 CYS 11 0.433 -2.233 1.838 87 H ARG 12 HN ARG 12 3.102 -3.902 2.619 88 HA ARG 12 HA ARG 12 4.692 -1.843 3.642 89 1HB ARG 12 HB2 ARG 12 4.942 -3.682 4.989 90 2HB ARG 12 HB3 ARG 12 4.877 -4.809 3.629 91 1HG ARG 12 HG2 ARG 12 7.131 -4.498 3.085 92 2HG ARG 12 HG3 ARG 12 7.237 -2.974 3.968 93 1HD ARG 12 HD2 ARG 12 7.407 -4.018 6.037 94 2HD ARG 12 HD3 ARG 12 6.574 -5.472 5.486 95 HE ARG 12 HE ARG 12 8.644 -6.212 4.453 96 1HH1 ARG 12 HH12 ARG 12 9.277 -3.022 4.509 97 2HH1 ARG 12 HH11 ARG 12 10.791 -3.104 5.346 98 1HH2 ARG 12 HH22 ARG 12 10.407 -6.429 6.258 99 2HH2 ARG 12 HH21 ARG 12 11.431 -5.034 6.338 100 H HIS 13 HN HIS 13 5.204 -3.640 0.663 101 HA HIS 13 HA HIS 13 7.976 -2.925 0.392 102 1HB HIS 13 HB2 HIS 13 6.064 -4.294 -1.181 103 2HB HIS 13 HB3 HIS 13 6.410 -2.840 -2.116 104 HD1 HIS 13 HD1 HIS 13 8.043 -3.593 -3.863 105 HD2 HIS 13 HD2 HIS 13 9.038 -5.048 -0.086 106 HE1 HIS 13 HE1 HIS 13 10.275 -4.756 -4.112 107 H ALA 14 HN ALA 14 5.216 -1.596 -1.381 108 HA ALA 14 HA ALA 14 6.027 0.844 -2.187 109 1HB ALA 14 HB1 ALA 14 3.572 -0.280 -1.743 110 2HB ALA 14 HB2 ALA 14 3.535 1.122 -0.679 111 3HB ALA 14 HB3 ALA 14 3.847 1.334 -2.410 112 H LYS 15 HN LYS 15 5.028 0.272 1.284 113 HA LYS 15 HA LYS 15 5.292 2.912 2.152 114 1HB LYS 15 HB2 LYS 15 4.222 1.410 3.605 115 2HB LYS 15 HB3 LYS 15 5.427 0.150 3.350 116 1HG LYS 15 HG2 LYS 15 6.549 2.579 4.462 117 2HG LYS 15 HG3 LYS 15 5.307 1.857 5.491 118 1HD LYS 15 HD2 LYS 15 6.828 -0.317 4.612 119 2HD LYS 15 HD3 LYS 15 8.027 0.928 4.969 120 1HE LYS 15 HE2 LYS 15 6.799 1.279 7.184 121 2HE LYS 15 HE3 LYS 15 5.942 -0.222 6.830 122 1HZ LYS 15 HZ1 LYS 15 8.551 -0.830 6.356 123 2HZ LYS 15 HZ2 LYS 15 8.630 0.174 7.726 124 3HZ LYS 15 HZ3 LYS 15 7.678 -1.235 7.750 125 H SER 16 HN SER 16 7.864 0.254 2.163 126 HA SER 16 HA SER 16 9.758 2.415 2.803 127 1HB SER 16 HB2 SER 16 9.560 -0.241 3.576 128 2HB SER 16 HB3 SER 16 10.961 -0.178 2.516 129 HG SER 16 HG SER 16 11.154 0.390 4.902 130 H LEU 17 HN LEU 17 8.738 1.241 -0.189 131 HA LEU 17 HA LEU 17 11.530 1.484 -1.251 132 1HB LEU 17 HB2 LEU 17 9.330 1.226 -3.191 133 2HB LEU 17 HB3 LEU 17 10.904 0.430 -3.196 134 HG LEU 17 HG LEU 17 9.160 -0.574 -1.093 135 1HD1 LEU 17 HD12 LEU 17 7.659 0.424 -2.996 136 2HD1 LEU 17 HD13 LEU 17 8.307 -0.891 -3.968 137 3HD1 LEU 17 HD11 LEU 17 7.308 -1.260 -2.561 138 1HD2 LEU 17 HD23 LEU 17 11.242 -1.496 -2.557 139 2HD2 LEU 17 HD21 LEU 17 10.048 -2.606 -1.880 140 3HD2 LEU 17 HD22 LEU 17 9.927 -2.101 -3.567 141 H GLY 18 HN GLY 18 8.193 2.563 -1.895 142 1HA GLY 18 HA1 GLY 18 8.666 5.306 -1.936 143 2HA GLY 18 HA2 GLY 18 9.140 4.711 -3.536 144 H ASN 19 HN ASN 19 7.301 2.884 -4.179 145 HA ASN 19 HA ASN 19 5.191 4.193 -5.256 146 1HB ASN 19 HB2 ASN 19 4.179 1.685 -4.217 147 2HB ASN 19 HB3 ASN 19 4.342 2.291 -5.807 148 1HD2 ASN 19 HD22 ASN 19 6.740 -0.642 -4.898 149 2HD2 ASN 19 HD21 ASN 19 5.236 -0.324 -4.192 150 H CYS 20 HN CYS 20 5.412 3.563 -1.812 151 HA CYS 20 HA CYS 20 2.909 3.344 -0.824 152 1HB CYS 20 HB2 CYS 20 4.193 3.898 0.964 153 2HB CYS 20 HB3 CYS 20 5.201 5.005 0.019 154 H ARG 21 HN ARG 21 4.122 6.259 -2.427 155 HA ARG 21 HA ARG 21 1.278 7.240 -2.533 156 1HB ARG 21 HB2 ARG 21 3.767 8.529 -1.674 157 2HB ARG 21 HB3 ARG 21 2.640 9.525 -2.602 158 1HG ARG 21 HG2 ARG 21 0.987 8.129 -0.848 159 2HG ARG 21 HG3 ARG 21 2.379 8.553 0.154 160 1HD ARG 21 HD2 ARG 21 0.831 10.519 -1.559 161 2HD ARG 21 HD3 ARG 21 0.625 10.325 0.181 162 HE ARG 21 HE ARG 21 3.000 11.080 0.424 163 1HH1 ARG 21 HH22 ARG 21 4.297 10.987 -2.065 164 2HH1 ARG 21 HH21 ARG 21 4.021 12.531 -2.798 165 1HH2 ARG 21 HH12 ARG 21 1.360 13.336 -0.725 166 2HH2 ARG 21 HH11 ARG 21 2.359 13.862 -2.040 167 H THR 22 HN THR 22 3.751 6.181 -4.444 168 HA THR 22 HA THR 22 3.269 8.173 -6.602 169 HB THR 22 HB THR 22 5.396 7.810 -7.283 170 HG1 THR 22 HG1 THR 22 5.852 5.909 -8.032 171 1HG2 THR 22 HG21 THR 22 5.470 7.879 -4.716 172 2HG2 THR 22 HG22 THR 22 5.758 6.141 -4.801 173 3HG2 THR 22 HG23 THR 22 6.898 7.261 -5.547 174 H SER 23 HN SER 23 2.258 5.031 -5.636 175 HA SER 23 HA SER 23 1.475 4.483 -8.475 176 1HB SER 23 HB2 SER 23 2.624 2.822 -6.298 177 2HB SER 23 HB3 SER 23 1.322 2.065 -7.210 178 HG SER 23 HG SER 23 3.112 3.412 -8.785 179 H GLN 24 HN GLN 24 -0.790 3.829 -8.736 180 HA GLN 24 HA GLN 24 -2.438 4.901 -6.584 181 1HB GLN 24 HB2 GLN 24 -3.347 3.508 -9.122 182 2HB GLN 24 HB3 GLN 24 -4.349 4.492 -8.055 183 1HG GLN 24 HG2 GLN 24 -3.302 6.483 -8.679 184 2HG GLN 24 HG3 GLN 24 -1.848 5.658 -9.245 185 1HE2 GLN 24 HE22 GLN 24 -4.365 6.656 -12.039 186 2HE2 GLN 24 HE21 GLN 24 -4.023 7.492 -10.602 187 H LYS 25 HN LYS 25 -1.778 1.598 -7.825 188 HA LYS 25 HA LYS 25 -3.578 0.499 -5.739 189 1HB LYS 25 HB2 LYS 25 -3.024 -0.250 -8.312 190 2HB LYS 25 HB3 LYS 25 -1.994 -1.321 -7.327 191 1HG LYS 25 HG2 LYS 25 -3.745 -2.325 -6.259 192 2HG LYS 25 HG3 LYS 25 -4.725 -0.865 -6.320 193 1HD LYS 25 HD2 LYS 25 -4.197 -2.692 -8.689 194 2HD LYS 25 HD3 LYS 25 -5.688 -2.672 -7.748 195 1HE LYS 25 HE2 LYS 25 -6.436 -0.775 -8.741 196 2HE LYS 25 HE3 LYS 25 -4.842 -0.020 -8.717 197 1HZ LYS 25 HZ2 LYS 25 -4.761 -2.189 -10.477 198 2HZ LYS 25 HZ3 LYS 25 -6.136 -1.267 -10.863 199 3HZ LYS 25 HZ1 LYS 25 -4.610 -0.535 -10.843 200 H TYR 26 HN TYR 26 -1.461 1.776 -4.952 201 HA TYR 26 HA TYR 26 0.336 -0.135 -3.519 202 1HB TYR 26 HB2 TYR 26 0.906 2.101 -5.385 203 2HB TYR 26 HB3 TYR 26 2.027 1.912 -3.999 204 HD1 TYR 26 HD2 TYR 26 0.397 -0.031 -6.770 205 HD2 TYR 26 HD1 TYR 26 3.379 0.070 -3.701 206 HE1 TYR 26 HE2 TYR 26 1.336 -2.154 -7.591 207 HE2 TYR 26 HE1 TYR 26 4.330 -2.026 -4.488 208 HH TYR 26 HH TYR 26 3.303 -3.470 -7.532 209 H ARG 27 HN ARG 27 -0.297 3.325 -4.043 210 HA ARG 27 HA ARG 27 -0.221 4.069 -1.255 211 1HB ARG 27 HB2 ARG 27 -0.260 6.252 -2.132 212 2HB ARG 27 HB3 ARG 27 0.098 5.394 -3.635 213 1HG ARG 27 HG2 ARG 27 -2.178 5.394 -4.276 214 2HG ARG 27 HG3 ARG 27 -2.709 6.020 -2.696 215 1HD ARG 27 HD2 ARG 27 -0.663 7.697 -3.924 216 2HD ARG 27 HD3 ARG 27 -2.088 7.542 -4.952 217 HE ARG 27 HE ARG 27 -3.041 8.061 -2.354 218 1HH1 ARG 27 HH22 ARG 27 -0.320 9.646 -3.198 219 2HH1 ARG 27 HH21 ARG 27 -1.030 11.211 -3.409 220 1HH2 ARG 27 HH12 ARG 27 -4.291 10.043 -3.293 221 2HH2 ARG 27 HH11 ARG 27 -3.276 11.436 -3.464 222 H ALA 28 HN ALA 28 -2.585 3.301 -3.697 223 HA ALA 28 HA ALA 28 -4.816 3.718 -1.788 224 1HB ALA 28 HB3 ALA 28 -4.640 4.201 -4.506 225 2HB ALA 28 HB1 ALA 28 -5.510 2.668 -4.441 226 3HB ALA 28 HB2 ALA 28 -6.143 4.078 -3.591 227 H ASN 29 HN ASN 29 -3.492 1.040 -3.882 228 HA ASN 29 HA ASN 29 -5.356 -0.726 -2.586 229 1HB ASN 29 HB2 ASN 29 -3.419 -1.118 -4.695 230 2HB ASN 29 HB3 ASN 29 -3.269 -2.409 -3.508 231 1HD2 ASN 29 HD22 ASN 29 -7.090 -1.973 -4.932 232 2HD2 ASN 29 HD21 ASN 29 -6.244 -0.608 -4.383 233 H CYS 30 HN CYS 30 -2.219 0.452 -1.875 234 HA CYS 30 HA CYS 30 -2.147 -1.319 0.522 235 1HB CYS 30 HB2 CYS 30 0.126 -0.488 -1.305 236 2HB CYS 30 HB3 CYS 30 0.389 -1.170 0.304 237 H ALA 31 HN ALA 31 -3.401 0.563 1.247 238 HA ALA 31 HA ALA 31 -1.841 2.989 1.942 239 1HB ALA 31 HB3 ALA 31 -4.673 2.244 1.552 240 2HB ALA 31 HB1 ALA 31 -4.390 3.353 2.893 241 3HB ALA 31 HB2 ALA 31 -3.871 3.786 1.261 242 H LYS 32 HN LYS 32 -2.412 -0.029 3.242 243 HA LYS 32 HA LYS 32 -2.834 0.795 6.041 244 1HB LYS 32 HB2 LYS 32 -3.745 -1.270 5.960 245 2HB LYS 32 HB3 LYS 32 -2.950 -1.626 4.430 246 1HG LYS 32 HG2 LYS 32 -1.379 -1.693 7.006 247 2HG LYS 32 HG3 LYS 32 -2.356 -3.071 6.522 248 1HD LYS 32 HD2 LYS 32 -1.046 -2.551 4.189 249 2HD LYS 32 HD3 LYS 32 0.173 -2.069 5.368 250 1HE LYS 32 HE2 LYS 32 -1.114 -4.770 4.997 251 2HE LYS 32 HE3 LYS 32 0.602 -4.386 5.059 252 1HZ LYS 32 HZ3 LYS 32 -0.216 -3.501 7.442 253 2HZ LYS 32 HZ1 LYS 32 -1.283 -4.797 7.222 254 3HZ LYS 32 HZ2 LYS 32 0.395 -5.064 7.167 255 H THR 33 HN THR 33 -0.334 0.011 3.823 256 HA THR 33 HA THR 33 1.844 -0.349 5.781 257 HB THR 33 HB THR 33 1.065 -1.252 3.270 258 HG1 THR 33 HG1 THR 33 3.311 -1.530 4.884 259 1HG2 THR 33 HG23 THR 33 2.649 0.976 2.700 260 2HG2 THR 33 HG21 THR 33 3.772 -0.384 2.671 261 3HG2 THR 33 HG22 THR 33 2.338 -0.382 1.643 262 H CYS 34 HN CYS 34 0.392 2.162 3.963 263 HA CYS 34 HA CYS 34 2.678 3.931 4.747 264 1HB CYS 34 HB2 CYS 34 2.021 3.525 2.215 265 2HB CYS 34 HB3 CYS 34 0.768 4.655 2.567 266 H GLU 35 HN GLU 35 -0.431 3.159 5.575 267 HA GLU 35 HA GLU 35 -2.059 4.231 6.774 268 1HB GLU 35 HB2 GLU 35 0.299 6.046 7.303 269 2HB GLU 35 HB3 GLU 35 -1.260 6.199 8.161 270 1HG GLU 35 HG2 GLU 35 -1.244 3.901 8.802 271 2HG GLU 35 HG3 GLU 35 0.212 3.593 7.863 272 H LEU 36 HN LEU 36 -1.851 4.642 4.043 273 HA LEU 36 HA LEU 36 -2.611 7.407 3.409 274 1HB LEU 36 HB2 LEU 36 -2.454 4.796 1.949 275 2HB LEU 36 HB3 LEU 36 -2.965 6.240 1.105 276 HG LEU 36 HG LEU 36 -0.403 6.077 2.678 277 1HD1 LEU 36 HD11 LEU 36 -0.623 4.413 0.707 278 2HD1 LEU 36 HD12 LEU 36 -0.578 5.834 -0.332 279 3HD1 LEU 36 HD13 LEU 36 0.789 5.466 0.720 280 1HD2 LEU 36 HD22 LEU 36 -1.703 8.267 1.759 281 2HD2 LEU 36 HD23 LEU 36 0.056 8.180 1.851 282 3HD2 LEU 36 HD21 LEU 36 -0.762 7.865 0.321 283 H CYS 37 HN CYS 37 -4.071 4.603 4.764 284 HA CYS 37 HA CYS 37 -6.659 4.824 3.480 285 1HB CYS 37 HB2 CYS 37 -5.464 2.964 5.091 286 2HB CYS 37 HB3 CYS 37 -6.554 3.755 6.232 No H/Q in entry = 286 Start of MODEL 11 1 1H VAL 1 HN3 VAL 1 -13.861 3.283 3.153 2 2H VAL 1 HN2 VAL 1 -14.861 2.254 2.240 3 3H VAL 1 HN VAL 1 -15.178 2.515 3.890 4 HA VAL 1 HA VAL 1 -13.537 1.127 4.593 5 HB VAL 1 HB VAL 1 -15.117 -0.186 3.208 6 1HG1 VAL 1 HG12 VAL 1 -13.848 1.173 1.094 7 2HG1 VAL 1 HG13 VAL 1 -13.382 -0.517 0.909 8 3HG1 VAL 1 HG11 VAL 1 -15.088 -0.075 0.956 9 1HG2 VAL 1 HG23 VAL 1 -13.041 -1.190 4.309 10 2HG2 VAL 1 HG21 VAL 1 -13.708 -2.121 2.968 11 3HG2 VAL 1 HG22 VAL 1 -12.276 -1.122 2.722 12 H CYS 2 HN CYS 2 -11.343 1.216 4.802 13 HA CYS 2 HA CYS 2 -9.776 1.839 2.342 14 1HB CYS 2 HB2 CYS 2 -8.272 3.197 3.669 15 2HB CYS 2 HB3 CYS 2 -9.917 3.739 3.998 16 H ARG 3 HN ARG 3 -7.436 0.943 2.513 17 HA ARG 3 HA ARG 3 -6.272 -0.642 4.379 18 1HB ARG 3 HB2 ARG 3 -7.058 -2.991 3.712 19 2HB ARG 3 HB3 ARG 3 -8.151 -2.066 4.738 20 1HG ARG 3 HG2 ARG 3 -9.732 -1.866 3.113 21 2HG ARG 3 HG3 ARG 3 -8.529 -1.608 1.849 22 1HD ARG 3 HD2 ARG 3 -9.272 -3.684 1.201 23 2HD ARG 3 HD3 ARG 3 -8.022 -4.189 2.339 24 HE ARG 3 HE ARG 3 -9.812 -4.560 4.006 25 1HH1 ARG 3 HH22 ARG 3 -11.391 -2.877 1.648 26 2HH1 ARG 3 HH21 ARG 3 -12.677 -4.013 1.412 27 1HH2 ARG 3 HH12 ARG 3 -11.191 -6.497 3.322 28 2HH2 ARG 3 HH11 ARG 3 -12.564 -6.061 2.359 29 H ASP 4 HN ASP 4 -5.296 -2.840 3.117 30 HA ASP 4 HA ASP 4 -3.895 -1.657 0.830 31 1HB ASP 4 HB2 ASP 4 -2.302 -3.309 1.175 32 2HB ASP 4 HB3 ASP 4 -3.025 -3.270 2.782 33 H TRP 5 HN TRP 5 -3.484 -4.069 -0.728 34 HA TRP 5 HA TRP 5 -6.186 -5.001 -1.415 35 1HB TRP 5 HB2 TRP 5 -4.653 -3.021 -3.076 36 2HB TRP 5 HB3 TRP 5 -5.519 -4.297 -3.933 37 HD1 TRP 5 HD1 TRP 5 -6.151 -0.943 -2.640 38 HE1 TRP 5 HE1 TRP 5 -8.660 -0.550 -2.286 39 HE3 TRP 5 HE3 TRP 5 -7.856 -5.756 -2.916 40 HZ2 TRP 5 HZ2 TRP 5 -11.091 -2.064 -2.135 41 HZ3 TRP 5 HZ3 TRP 5 -10.268 -6.247 -2.662 42 HH2 TRP 5 HH2 TRP 5 -11.887 -4.413 -2.272 43 H PHE 6 HN PHE 6 -2.622 -5.037 -2.126 44 HA PHE 6 HA PHE 6 -2.866 -7.636 -3.454 45 1HB PHE 6 HB2 PHE 6 -0.443 -6.153 -2.358 46 2HB PHE 6 HB3 PHE 6 -0.424 -7.437 -3.573 47 HD1 PHE 6 HD1 PHE 6 -3.023 -6.270 -4.960 48 HD2 PHE 6 HD2 PHE 6 0.757 -4.670 -3.690 49 HE1 PHE 6 HE1 PHE 6 -3.189 -4.551 -6.655 50 HE2 PHE 6 HE2 PHE 6 0.627 -2.952 -5.360 51 HZ PHE 6 HZ PHE 6 -1.361 -2.847 -6.894 52 H LYS 7 HN LYS 7 -0.239 -8.316 -1.774 53 HA LYS 7 HA LYS 7 -1.683 -9.536 0.489 54 1HB LYS 7 HB2 LYS 7 1.220 -9.623 -0.445 55 2HB LYS 7 HB3 LYS 7 0.647 -10.459 1.000 56 1HG LYS 7 HG2 LYS 7 -0.513 -10.896 -1.763 57 2HG LYS 7 HG3 LYS 7 0.734 -11.919 -1.049 58 1HD LYS 7 HD2 LYS 7 -0.989 -13.119 -0.203 59 2HD LYS 7 HD3 LYS 7 -1.137 -11.806 0.966 60 1HE LYS 7 HE2 LYS 7 -3.271 -11.681 0.170 61 2HE LYS 7 HE3 LYS 7 -2.514 -10.746 -1.120 62 1HZ LYS 7 HZ3 LYS 7 -2.637 -13.680 -1.315 63 2HZ LYS 7 HZ1 LYS 7 -4.002 -12.759 -1.708 64 3HZ LYS 7 HZ2 LYS 7 -2.547 -12.521 -2.556 65 H GLU 8 HN GLU 8 -1.068 -8.916 2.736 66 HA GLU 8 HA GLU 8 -0.739 -6.133 3.149 67 1HB GLU 8 HB2 GLU 8 -0.476 -8.563 4.858 68 2HB GLU 8 HB3 GLU 8 0.159 -7.039 5.488 69 1HG GLU 8 HG2 GLU 8 -2.027 -6.853 6.199 70 2HG GLU 8 HG3 GLU 8 -2.158 -6.108 4.603 71 H THR 9 HN THR 9 1.633 -8.450 2.295 72 HA THR 9 HA THR 9 3.817 -6.761 3.321 73 HB THR 9 HB THR 9 5.223 -8.690 2.528 74 HG1 THR 9 HG1 THR 9 3.730 -9.303 0.840 75 1HG2 THR 9 HG21 THR 9 3.177 -8.485 4.539 76 2HG2 THR 9 HG22 THR 9 3.426 -10.181 4.104 77 3HG2 THR 9 HG23 THR 9 4.785 -9.201 4.669 78 H ALA 10 HN ALA 10 2.283 -7.592 0.265 79 HA ALA 10 HA ALA 10 4.205 -6.551 -1.577 80 1HB ALA 10 HB3 ALA 10 1.174 -6.376 -1.490 81 2HB ALA 10 HB1 ALA 10 2.080 -5.657 -2.819 82 3HB ALA 10 HB2 ALA 10 2.137 -7.405 -2.554 83 H CYS 11 HN CYS 11 1.977 -5.125 0.697 84 HA CYS 11 HA CYS 11 2.472 -2.388 -0.089 85 1HB CYS 11 HB2 CYS 11 0.979 -3.772 2.165 86 2HB CYS 11 HB3 CYS 11 0.839 -2.036 1.826 87 H ARG 12 HN ARG 12 3.759 -4.553 2.408 88 HA ARG 12 HA ARG 12 5.145 -2.560 3.909 89 1HB ARG 12 HB2 ARG 12 5.699 -4.671 4.800 90 2HB ARG 12 HB3 ARG 12 5.832 -5.417 3.192 91 1HG ARG 12 HG2 ARG 12 7.887 -4.409 2.727 92 2HG ARG 12 HG3 ARG 12 7.697 -3.208 3.999 93 1HD ARG 12 HD2 ARG 12 7.581 -5.806 5.206 94 2HD ARG 12 HD3 ARG 12 9.014 -5.736 4.179 95 HE ARG 12 HE ARG 12 9.602 -3.612 5.452 96 1HH1 ARG 12 HH22 ARG 12 7.012 -3.490 7.000 97 2HH1 ARG 12 HH21 ARG 12 7.485 -4.159 8.526 98 1HH2 ARG 12 HH12 ARG 12 10.414 -5.554 7.309 99 2HH2 ARG 12 HH11 ARG 12 9.409 -5.326 8.701 100 H HIS 13 HN HIS 13 5.512 -3.850 0.678 101 HA HIS 13 HA HIS 13 8.115 -2.668 0.177 102 1HB HIS 13 HB2 HIS 13 7.159 -4.655 -1.091 103 2HB HIS 13 HB3 HIS 13 5.997 -3.552 -1.821 104 HD1 HIS 13 HD1 HIS 13 6.802 -3.223 -4.164 105 HD2 HIS 13 HD2 HIS 13 9.919 -2.953 -1.409 106 HE1 HIS 13 HE1 HIS 13 8.853 -2.535 -5.474 107 H ALA 14 HN ALA 14 4.718 -1.852 -0.816 108 HA ALA 14 HA ALA 14 5.371 0.553 -2.130 109 1HB ALA 14 HB1 ALA 14 3.001 -0.600 -1.612 110 2HB ALA 14 HB2 ALA 14 2.967 0.665 -0.384 111 3HB ALA 14 HB3 ALA 14 3.153 1.096 -2.093 112 H LYS 15 HN LYS 15 4.378 0.453 1.361 113 HA LYS 15 HA LYS 15 5.111 3.156 1.799 114 1HB LYS 15 HB2 LYS 15 4.111 2.453 3.748 115 2HB LYS 15 HB3 LYS 15 4.595 0.787 3.498 116 1HG LYS 15 HG2 LYS 15 6.818 1.210 4.309 117 2HG LYS 15 HG3 LYS 15 6.511 2.945 4.388 118 1HD LYS 15 HD2 LYS 15 5.225 2.778 6.293 119 2HD LYS 15 HD3 LYS 15 4.674 1.146 5.909 120 1HE LYS 15 HE2 LYS 15 6.152 0.728 7.662 121 2HE LYS 15 HE3 LYS 15 7.196 0.507 6.258 122 1HZ LYS 15 HZ1 LYS 15 6.923 3.059 7.749 123 2HZ LYS 15 HZ2 LYS 15 8.169 1.931 8.001 124 3HZ LYS 15 HZ3 LYS 15 8.021 2.724 6.504 125 H SER 16 HN SER 16 7.117 0.093 1.934 126 HA SER 16 HA SER 16 9.535 1.558 2.712 127 1HB SER 16 HB2 SER 16 8.750 -0.840 3.306 128 2HB SER 16 HB3 SER 16 9.402 -1.225 1.716 129 HG SER 16 HG SER 16 10.952 -1.392 3.465 130 H LEU 17 HN LEU 17 8.148 1.562 -0.304 131 HA LEU 17 HA LEU 17 10.787 1.020 -1.607 132 1HB LEU 17 HB2 LEU 17 9.693 0.213 -3.525 133 2HB LEU 17 HB3 LEU 17 8.704 -0.411 -2.209 134 HG LEU 17 HG LEU 17 7.335 1.772 -2.550 135 1HD1 LEU 17 HD11 LEU 17 9.407 2.090 -4.410 136 2HD1 LEU 17 HD12 LEU 17 8.010 1.631 -5.394 137 3HD1 LEU 17 HD13 LEU 17 7.931 3.053 -4.346 138 1HD2 LEU 17 HD21 LEU 17 6.964 -0.743 -3.040 139 2HD2 LEU 17 HD22 LEU 17 5.923 0.395 -3.896 140 3HD2 LEU 17 HD23 LEU 17 7.302 -0.340 -4.721 141 H GLY 18 HN GLY 18 8.062 3.260 -1.579 142 1HA GLY 18 HA1 GLY 18 9.139 5.660 -1.703 143 2HA GLY 18 HA2 GLY 18 9.619 5.103 -3.310 144 H ASN 19 HN ASN 19 6.713 3.539 -2.845 145 HA ASN 19 HA ASN 19 5.447 5.573 -4.451 146 1HB ASN 19 HB2 ASN 19 4.723 2.751 -3.694 147 2HB ASN 19 HB3 ASN 19 3.619 3.724 -4.502 148 1HD2 ASN 19 HD22 ASN 19 5.956 1.751 -6.795 149 2HD2 ASN 19 HD21 ASN 19 5.208 1.320 -5.335 150 H CYS 20 HN CYS 20 3.613 3.701 -1.940 151 HA CYS 20 HA CYS 20 1.990 4.548 -0.496 152 1HB CYS 20 HB2 CYS 20 3.697 4.574 1.008 153 2HB CYS 20 HB3 CYS 20 4.694 5.590 -0.022 154 H ARG 21 HN ARG 21 2.174 5.903 -3.146 155 HA ARG 21 HA ARG 21 0.136 7.706 -3.196 156 1HB ARG 21 HB2 ARG 21 2.455 8.899 -1.891 157 2HB ARG 21 HB3 ARG 21 1.760 9.892 -3.177 158 1HG ARG 21 HG2 ARG 21 -0.460 8.924 -1.797 159 2HG ARG 21 HG3 ARG 21 0.698 9.288 -0.520 160 1HD ARG 21 HD2 ARG 21 1.070 11.517 -1.850 161 2HD ARG 21 HD3 ARG 21 -0.512 11.157 -2.540 162 HE ARG 21 HE ARG 21 -1.113 10.919 0.057 163 1HH1 ARG 21 HH22 ARG 21 1.647 12.393 0.341 164 2HH1 ARG 21 HH21 ARG 21 1.081 14.001 0.653 165 1HH2 ARG 21 HH12 ARG 21 -2.168 13.337 -0.356 166 2HH2 ARG 21 HH11 ARG 21 -1.078 14.534 0.258 167 H THR 22 HN THR 22 3.341 6.958 -4.462 168 HA THR 22 HA THR 22 2.903 8.668 -6.827 169 HB THR 22 HB THR 22 5.167 8.375 -7.292 170 HG1 THR 22 HG1 THR 22 6.275 6.496 -6.346 171 1HG2 THR 22 HG23 THR 22 4.853 9.404 -5.044 172 2HG2 THR 22 HG21 THR 22 5.062 7.810 -4.322 173 3HG2 THR 22 HG22 THR 22 6.392 8.558 -5.206 174 H SER 23 HN SER 23 2.332 5.420 -5.781 175 HA SER 23 HA SER 23 2.030 4.625 -8.656 176 1HB SER 23 HB2 SER 23 3.083 3.296 -6.187 177 2HB SER 23 HB3 SER 23 2.019 2.295 -7.160 178 HG SER 23 HG SER 23 3.633 3.519 -8.839 179 H GLN 24 HN GLN 24 -0.223 4.685 -9.119 180 HA GLN 24 HA GLN 24 -2.054 5.242 -7.022 181 1HB GLN 24 HB2 GLN 24 -2.274 4.597 -9.886 182 2HB GLN 24 HB3 GLN 24 -3.681 4.125 -8.933 183 1HG GLN 24 HG2 GLN 24 -4.201 6.295 -8.358 184 2HG GLN 24 HG3 GLN 24 -2.523 6.835 -8.447 185 1HE2 GLN 24 HE22 GLN 24 -4.433 6.377 -12.067 186 2HE2 GLN 24 HE21 GLN 24 -4.697 5.227 -10.847 187 H LYS 25 HN LYS 25 -1.155 2.043 -8.412 188 HA LYS 25 HA LYS 25 -3.152 0.808 -6.688 189 1HB LYS 25 HB2 LYS 25 -2.219 -0.022 -9.005 190 2HB LYS 25 HB3 LYS 25 -1.049 -0.838 -7.925 191 1HG LYS 25 HG2 LYS 25 -2.809 -1.705 -6.526 192 2HG LYS 25 HG3 LYS 25 -4.015 -0.849 -7.467 193 1HD LYS 25 HD2 LYS 25 -2.756 -2.309 -9.431 194 2HD LYS 25 HD3 LYS 25 -2.695 -3.427 -8.070 195 1HE LYS 25 HE2 LYS 25 -5.260 -2.510 -7.875 196 2HE LYS 25 HE3 LYS 25 -5.020 -2.485 -9.622 197 1HZ LYS 25 HZ1 LYS 25 -3.963 -4.829 -9.083 198 2HZ LYS 25 HZ2 LYS 25 -5.050 -4.745 -7.779 199 3HZ LYS 25 HZ3 LYS 25 -5.620 -4.639 -9.377 200 H TYR 26 HN TYR 26 -0.627 2.208 -5.767 201 HA TYR 26 HA TYR 26 0.484 0.077 -3.992 202 1HB TYR 26 HB2 TYR 26 1.712 2.487 -5.203 203 2HB TYR 26 HB3 TYR 26 2.293 2.001 -3.593 204 HD1 TYR 26 HD2 TYR 26 0.985 0.277 -6.589 205 HD2 TYR 26 HD1 TYR 26 4.040 0.367 -3.578 206 HE1 TYR 26 HE2 TYR 26 1.954 -1.771 -7.528 207 HE2 TYR 26 HE1 TYR 26 5.027 -1.700 -4.519 208 HH TYR 26 HH TYR 26 4.417 -2.839 -7.506 209 H ARG 27 HN ARG 27 -0.123 3.567 -4.145 210 HA ARG 27 HA ARG 27 -0.125 4.221 -1.413 211 1HB ARG 27 HB2 ARG 27 -0.694 6.350 -2.213 212 2HB ARG 27 HB3 ARG 27 -0.033 5.583 -3.662 213 1HG ARG 27 HG2 ARG 27 -2.180 5.047 -4.468 214 2HG ARG 27 HG3 ARG 27 -2.971 5.627 -2.971 215 1HD ARG 27 HD2 ARG 27 -1.223 7.539 -4.459 216 2HD ARG 27 HD3 ARG 27 -2.767 7.130 -5.198 217 HE ARG 27 HE ARG 27 -3.251 7.750 -2.468 218 1HH1 ARG 27 HH12 ARG 27 -4.269 8.949 -5.214 219 2HH1 ARG 27 HH11 ARG 27 -3.953 10.624 -4.914 220 1HH2 ARG 27 HH22 ARG 27 -1.941 10.012 -2.153 221 2HH2 ARG 27 HH21 ARG 27 -2.628 11.231 -3.175 222 H ALA 28 HN ALA 28 -2.854 3.464 -3.606 223 HA ALA 28 HA ALA 28 -4.779 3.575 -1.346 224 1HB ALA 28 HB2 ALA 28 -5.151 4.418 -3.765 225 2HB ALA 28 HB3 ALA 28 -5.387 2.708 -4.145 226 3HB ALA 28 HB1 ALA 28 -6.450 3.506 -2.985 227 H ASN 29 HN ASN 29 -2.686 1.319 -2.434 228 HA ASN 29 HA ASN 29 -4.451 -1.062 -1.943 229 1HB ASN 29 HB2 ASN 29 -1.882 -0.886 -3.457 230 2HB ASN 29 HB3 ASN 29 -3.128 -2.130 -3.623 231 1HD2 ASN 29 HD22 ASN 29 -5.110 -0.238 -5.845 232 2HD2 ASN 29 HD21 ASN 29 -4.853 -1.722 -5.056 233 H CYS 30 HN CYS 30 -1.893 0.778 -0.779 234 HA CYS 30 HA CYS 30 -1.050 -1.301 1.162 235 1HB CYS 30 HB2 CYS 30 0.796 0.498 -0.497 236 2HB CYS 30 HB3 CYS 30 1.333 -0.698 0.670 237 H ALA 31 HN ALA 31 -2.933 0.815 1.160 238 HA ALA 31 HA ALA 31 -1.899 3.177 2.320 239 1HB ALA 31 HB2 ALA 31 -4.340 2.233 1.275 240 2HB ALA 31 HB3 ALA 31 -4.690 2.690 2.941 241 3HB ALA 31 HB1 ALA 31 -3.997 3.874 1.829 242 H LYS 32 HN LYS 32 -2.123 0.099 3.520 243 HA LYS 32 HA LYS 32 -2.892 0.651 6.302 244 1HB LYS 32 HB2 LYS 32 -2.793 -1.697 6.496 245 2HB LYS 32 HB3 LYS 32 -3.126 -1.509 4.771 246 1HG LYS 32 HG2 LYS 32 -0.761 -1.789 4.260 247 2HG LYS 32 HG3 LYS 32 -0.372 -1.882 5.979 248 1HD LYS 32 HD2 LYS 32 -2.305 -3.815 5.734 249 2HD LYS 32 HD3 LYS 32 -1.470 -3.941 4.184 250 1HE LYS 32 HE2 LYS 32 0.236 -5.045 5.200 251 2HE LYS 32 HE3 LYS 32 0.500 -3.614 6.204 252 1HZ LYS 32 HZ1 LYS 32 -1.770 -5.180 7.006 253 2HZ LYS 32 HZ2 LYS 32 -0.295 -6.017 7.116 254 3HZ LYS 32 HZ3 LYS 32 -0.507 -4.544 7.938 255 H THR 33 HN THR 33 -0.230 -0.001 4.196 256 HA THR 33 HA THR 33 1.952 0.053 6.128 257 HB THR 33 HB THR 33 2.319 0.233 3.171 258 HG1 THR 33 HG1 THR 33 1.755 -2.204 3.530 259 1HG2 THR 33 HG22 THR 33 3.937 -0.447 5.257 260 2HG2 THR 33 HG23 THR 33 3.308 -2.032 4.779 261 3HG2 THR 33 HG21 THR 33 4.138 -1.024 3.596 262 H CYS 34 HN CYS 34 0.376 2.418 4.045 263 HA CYS 34 HA CYS 34 2.497 4.284 5.011 264 1HB CYS 34 HB2 CYS 34 1.914 3.955 2.365 265 2HB CYS 34 HB3 CYS 34 0.833 5.253 2.787 266 H GLU 35 HN GLU 35 -0.622 3.421 5.563 267 HA GLU 35 HA GLU 35 -2.335 4.422 6.711 268 1HB GLU 35 HB2 GLU 35 -0.192 6.498 7.197 269 2HB GLU 35 HB3 GLU 35 -1.765 6.472 8.045 270 1HG GLU 35 HG2 GLU 35 -1.313 4.593 9.189 271 2HG GLU 35 HG3 GLU 35 -0.559 3.848 7.777 272 H LEU 36 HN LEU 36 -1.902 4.803 3.953 273 HA LEU 36 HA LEU 36 -3.078 7.392 3.178 274 1HB LEU 36 HB2 LEU 36 -2.397 4.861 1.702 275 2HB LEU 36 HB3 LEU 36 -3.112 6.192 0.854 276 HG LEU 36 HG LEU 36 -0.595 6.387 2.479 277 1HD1 LEU 36 HD12 LEU 36 -0.941 5.064 0.034 278 2HD1 LEU 36 HD13 LEU 36 -0.263 6.625 -0.414 279 3HD1 LEU 36 HD11 LEU 36 0.600 5.581 0.716 280 1HD2 LEU 36 HD22 LEU 36 -1.914 8.492 2.058 281 2HD2 LEU 36 HD23 LEU 36 -0.296 8.536 1.358 282 3HD2 LEU 36 HD21 LEU 36 -1.695 8.229 0.328 283 H CYS 37 HN CYS 37 -4.081 4.300 4.367 284 HA CYS 37 HA CYS 37 -6.524 4.002 2.904 285 1HB CYS 37 HB2 CYS 37 -6.682 2.148 4.179 286 2HB CYS 37 HB3 CYS 37 -5.188 2.642 4.975 No H/Q in entry = 286 Start of MODEL 12 1 1H VAL 1 HN2 VAL 1 -13.135 3.348 -1.396 2 2H VAL 1 HN VAL 1 -14.094 2.268 -2.293 3 3H VAL 1 HN3 VAL 1 -14.119 2.212 -0.601 4 HA VAL 1 HA VAL 1 -12.738 0.457 -1.058 5 HB VAL 1 HB VAL 1 -12.565 0.530 -3.403 6 1HG1 VAL 1 HG13 VAL 1 -12.841 3.066 -3.437 7 2HG1 VAL 1 HG11 VAL 1 -11.092 3.168 -3.238 8 3HG1 VAL 1 HG12 VAL 1 -11.772 2.398 -4.672 9 1HG2 VAL 1 HG22 VAL 1 -10.340 0.072 -1.964 10 2HG2 VAL 1 HG23 VAL 1 -10.338 0.011 -3.726 11 3HG2 VAL 1 HG21 VAL 1 -9.774 1.459 -2.894 12 H CYS 2 HN CYS 2 -11.679 0.654 0.873 13 HA CYS 2 HA CYS 2 -9.309 2.456 0.893 14 1HB CYS 2 HB2 CYS 2 -11.423 3.256 2.206 15 2HB CYS 2 HB3 CYS 2 -10.957 2.026 3.379 16 H ARG 3 HN ARG 3 -7.511 1.519 2.321 17 HA ARG 3 HA ARG 3 -6.661 -0.072 3.867 18 1HB ARG 3 HB2 ARG 3 -7.529 -2.227 4.166 19 2HB ARG 3 HB3 ARG 3 -9.010 -1.289 3.899 20 1HG ARG 3 HG2 ARG 3 -8.361 -1.778 1.350 21 2HG ARG 3 HG3 ARG 3 -7.657 -3.223 2.073 22 1HD ARG 3 HD2 ARG 3 -10.509 -2.363 2.625 23 2HD ARG 3 HD3 ARG 3 -10.075 -3.412 1.274 24 HE ARG 3 HE ARG 3 -8.905 -4.573 3.544 25 1HH1 ARG 3 HH12 ARG 3 -11.236 -5.511 1.649 26 2HH1 ARG 3 HH11 ARG 3 -12.408 -5.958 2.844 27 1HH2 ARG 3 HH22 ARG 3 -10.762 -4.355 5.440 28 2HH2 ARG 3 HH21 ARG 3 -12.140 -5.303 4.990 29 H ASP 4 HN ASP 4 -5.993 -2.688 2.896 30 HA ASP 4 HA ASP 4 -4.383 -1.816 0.584 31 1HB ASP 4 HB2 ASP 4 -3.078 -3.937 1.021 32 2HB ASP 4 HB3 ASP 4 -3.086 -2.810 2.378 33 H TRP 5 HN TRP 5 -3.913 -4.098 -0.883 34 HA TRP 5 HA TRP 5 -6.550 -5.376 -1.303 35 1HB TRP 5 HB2 TRP 5 -5.170 -3.582 -3.291 36 2HB TRP 5 HB3 TRP 5 -6.257 -4.808 -3.880 37 HD1 TRP 5 HD1 TRP 5 -6.227 -1.427 -2.335 38 HE1 TRP 5 HE1 TRP 5 -8.622 -0.658 -1.811 39 HE3 TRP 5 HE3 TRP 5 -8.730 -5.824 -3.016 40 HZ2 TRP 5 HZ2 TRP 5 -11.264 -1.758 -1.690 41 HZ3 TRP 5 HZ3 TRP 5 -11.180 -5.933 -2.687 42 HH2 TRP 5 HH2 TRP 5 -12.451 -3.915 -2.028 43 H PHE 6 HN PHE 6 -3.011 -5.282 -2.207 44 HA PHE 6 HA PHE 6 -3.243 -7.985 -3.299 45 1HB PHE 6 HB2 PHE 6 -0.712 -6.588 -2.428 46 2HB PHE 6 HB3 PHE 6 -0.917 -7.760 -3.731 47 HD1 PHE 6 HD1 PHE 6 -3.573 -6.521 -4.671 48 HD2 PHE 6 HD2 PHE 6 0.323 -4.869 -3.911 49 HE1 PHE 6 HE1 PHE 6 -4.034 -4.741 -6.261 50 HE2 PHE 6 HE2 PHE 6 -0.110 -3.086 -5.492 51 HZ PHE 6 HZ PHE 6 -2.300 -2.995 -6.690 52 H LYS 7 HN LYS 7 -0.529 -8.528 -1.768 53 HA LYS 7 HA LYS 7 -1.829 -9.525 0.683 54 1HB LYS 7 HB2 LYS 7 0.226 -10.519 -0.843 55 2HB LYS 7 HB3 LYS 7 1.144 -9.635 0.377 56 1HG LYS 7 HG2 LYS 7 0.866 -11.397 1.746 57 2HG LYS 7 HG3 LYS 7 -0.848 -10.982 1.818 58 1HD LYS 7 HD2 LYS 7 -1.065 -12.303 -0.391 59 2HD LYS 7 HD3 LYS 7 0.517 -12.971 0.010 60 1HE LYS 7 HE2 LYS 7 -1.548 -12.982 2.160 61 2HE LYS 7 HE3 LYS 7 -1.745 -14.135 0.840 62 1HZ LYS 7 HZ3 LYS 7 0.943 -13.937 1.882 63 2HZ LYS 7 HZ1 LYS 7 -0.188 -14.534 2.992 64 3HZ LYS 7 HZ2 LYS 7 0.021 -15.313 1.494 65 H GLU 8 HN GLU 8 -1.185 -8.650 2.798 66 HA GLU 8 HA GLU 8 -0.805 -5.832 2.935 67 1HB GLU 8 HB2 GLU 8 -0.409 -8.119 4.851 68 2HB GLU 8 HB3 GLU 8 0.012 -6.482 5.341 69 1HG GLU 8 HG2 GLU 8 -2.266 -5.720 4.858 70 2HG GLU 8 HG3 GLU 8 -2.698 -7.327 4.274 71 H THR 9 HN THR 9 1.504 -8.303 2.255 72 HA THR 9 HA THR 9 3.768 -6.651 3.105 73 HB THR 9 HB THR 9 5.046 -8.654 2.383 74 HG1 THR 9 HG1 THR 9 3.120 -10.332 1.870 75 1HG2 THR 9 HG21 THR 9 2.898 -8.412 4.282 76 2HG2 THR 9 HG22 THR 9 3.089 -10.102 3.801 77 3HG2 THR 9 HG23 THR 9 4.459 -9.213 4.477 78 H ALA 10 HN ALA 10 2.074 -7.526 0.148 79 HA ALA 10 HA ALA 10 3.864 -6.575 -1.854 80 1HB ALA 10 HB3 ALA 10 0.862 -6.090 -1.596 81 2HB ALA 10 HB1 ALA 10 1.767 -5.713 -3.056 82 3HB ALA 10 HB2 ALA 10 1.589 -7.390 -2.533 83 H CYS 11 HN CYS 11 1.970 -4.981 0.604 84 HA CYS 11 HA CYS 11 2.720 -2.354 -0.412 85 1HB CYS 11 HB2 CYS 11 0.810 -3.421 1.680 86 2HB CYS 11 HB3 CYS 11 1.038 -1.666 1.384 87 H ARG 12 HN ARG 12 3.739 -4.492 2.267 88 HA ARG 12 HA ARG 12 5.054 -2.415 3.740 89 1HB ARG 12 HB2 ARG 12 5.374 -4.485 4.839 90 2HB ARG 12 HB3 ARG 12 5.674 -5.350 3.317 91 1HG ARG 12 HG2 ARG 12 7.831 -4.570 3.107 92 2HG ARG 12 HG3 ARG 12 7.534 -3.143 4.099 93 1HD ARG 12 HD2 ARG 12 7.070 -5.444 5.730 94 2HD ARG 12 HD3 ARG 12 8.625 -5.659 4.926 95 HE ARG 12 HE ARG 12 9.475 -3.869 6.214 96 1HH1 ARG 12 HH12 ARG 12 8.308 -1.491 6.036 97 2HH1 ARG 12 HH11 ARG 12 7.153 -1.329 7.317 98 1HH2 ARG 12 HH21 ARG 12 6.414 -3.164 8.411 99 2HH2 ARG 12 HH22 ARG 12 7.000 -4.731 7.968 100 H HIS 13 HN HIS 13 5.646 -4.043 0.715 101 HA HIS 13 HA HIS 13 8.328 -3.168 0.228 102 1HB HIS 13 HB2 HIS 13 7.334 -5.006 -1.031 103 2HB HIS 13 HB3 HIS 13 6.002 -3.996 -1.566 104 HD1 HIS 13 HD1 HIS 13 6.302 -3.095 -3.865 105 HD2 HIS 13 HD2 HIS 13 9.975 -3.797 -2.021 106 HE1 HIS 13 HE1 HIS 13 8.080 -2.524 -5.572 107 H ALA 14 HN ALA 14 5.177 -2.020 -1.042 108 HA ALA 14 HA ALA 14 6.140 0.377 -2.203 109 1HB ALA 14 HB1 ALA 14 3.827 -0.626 -2.460 110 2HB ALA 14 HB2 ALA 14 3.424 0.074 -0.889 111 3HB ALA 14 HB3 ALA 14 3.860 1.124 -2.243 112 H LYS 15 HN LYS 15 4.424 0.466 1.066 113 HA LYS 15 HA LYS 15 5.130 3.022 1.731 114 1HB LYS 15 HB2 LYS 15 3.797 1.452 3.154 115 2HB LYS 15 HB3 LYS 15 5.323 0.660 3.629 116 1HG LYS 15 HG2 LYS 15 5.886 3.315 3.861 117 2HG LYS 15 HG3 LYS 15 4.219 3.220 4.434 118 1HD LYS 15 HD2 LYS 15 5.261 1.063 5.704 119 2HD LYS 15 HD3 LYS 15 6.700 2.082 5.633 120 1HE LYS 15 HE2 LYS 15 5.910 3.457 7.231 121 2HE LYS 15 HE3 LYS 15 4.354 3.614 6.415 122 1HZ LYS 15 HZ2 LYS 15 3.796 1.381 7.318 123 2HZ LYS 15 HZ3 LYS 15 5.210 1.455 8.260 124 3HZ LYS 15 HZ1 LYS 15 3.973 2.586 8.504 125 H SER 16 HN SER 16 7.325 0.073 1.970 126 HA SER 16 HA SER 16 9.486 1.800 3.000 127 1HB SER 16 HB2 SER 16 8.790 -0.823 3.331 128 2HB SER 16 HB3 SER 16 10.119 -0.861 2.176 129 HG SER 16 HG SER 16 11.228 -0.737 4.037 130 H LEU 17 HN LEU 17 8.705 2.247 0.240 131 HA LEU 17 HA LEU 17 11.371 1.884 -0.951 132 1HB LEU 17 HB2 LEU 17 10.831 0.400 -2.608 133 2HB LEU 17 HB3 LEU 17 9.568 -0.036 -1.470 134 HG LEU 17 HG LEU 17 8.083 1.620 -2.630 135 1HD1 LEU 17 HD12 LEU 17 10.516 2.170 -4.058 136 2HD1 LEU 17 HD13 LEU 17 9.350 1.478 -5.191 137 3HD1 LEU 17 HD11 LEU 17 8.933 2.923 -4.268 138 1HD2 LEU 17 HD21 LEU 17 9.213 -0.931 -3.644 139 2HD2 LEU 17 HD22 LEU 17 7.603 -0.577 -3.025 140 3HD2 LEU 17 HD23 LEU 17 8.027 -0.118 -4.672 141 H GLY 18 HN GLY 18 8.113 3.159 -1.574 142 1HA GLY 18 HA1 GLY 18 8.634 5.807 -1.811 143 2HA GLY 18 HA2 GLY 18 9.257 5.211 -3.350 144 H ASN 19 HN ASN 19 7.129 3.052 -3.447 145 HA ASN 19 HA ASN 19 5.202 4.517 -4.951 146 1HB ASN 19 HB2 ASN 19 4.045 2.119 -3.872 147 2HB ASN 19 HB3 ASN 19 4.363 2.593 -5.482 148 1HD2 ASN 19 HD22 ASN 19 6.232 -0.542 -4.363 149 2HD2 ASN 19 HD21 ASN 19 4.693 0.013 -3.995 150 H CYS 20 HN CYS 20 5.502 4.022 -1.580 151 HA CYS 20 HA CYS 20 3.212 3.700 -0.277 152 1HB CYS 20 HB2 CYS 20 4.560 4.719 1.231 153 2HB CYS 20 HB3 CYS 20 5.218 5.858 0.037 154 H ARG 21 HN ARG 21 3.799 6.765 -1.953 155 HA ARG 21 HA ARG 21 0.822 7.093 -2.322 156 1HB ARG 21 HB2 ARG 21 2.227 8.527 -0.558 157 2HB ARG 21 HB3 ARG 21 2.558 9.428 -2.047 158 1HG ARG 21 HG2 ARG 21 0.335 10.025 -2.374 159 2HG ARG 21 HG3 ARG 21 -0.274 8.638 -1.464 160 1HD ARG 21 HD2 ARG 21 -0.640 10.690 -0.177 161 2HD ARG 21 HD3 ARG 21 0.555 9.679 0.637 162 HE ARG 21 HE ARG 21 1.888 11.511 -1.122 163 1HH1 ARG 21 HH22 ARG 21 1.928 10.744 2.002 164 2HH1 ARG 21 HH21 ARG 21 1.924 12.350 2.649 165 1HH2 ARG 21 HH12 ARG 21 1.107 13.848 -0.371 166 2HH2 ARG 21 HH11 ARG 21 1.460 14.109 1.306 167 H THR 22 HN THR 22 3.496 6.498 -3.975 168 HA THR 22 HA THR 22 3.089 8.612 -6.040 169 HB THR 22 HB THR 22 5.311 8.199 -6.798 170 HG1 THR 22 HG1 THR 22 5.832 6.172 -6.798 171 1HG2 THR 22 HG22 THR 22 5.030 8.182 -3.805 172 2HG2 THR 22 HG23 THR 22 6.623 8.192 -4.561 173 3HG2 THR 22 HG21 THR 22 5.493 9.512 -4.867 174 H SER 23 HN SER 23 2.095 5.453 -5.392 175 HA SER 23 HA SER 23 2.009 4.929 -8.335 176 1HB SER 23 HB2 SER 23 2.396 3.121 -5.899 177 2HB SER 23 HB3 SER 23 1.931 2.458 -7.476 178 HG SER 23 HG SER 23 3.901 2.829 -8.148 179 H GLN 24 HN GLN 24 -0.185 4.270 -9.059 180 HA GLN 24 HA GLN 24 -2.185 5.536 -7.402 181 1HB GLN 24 HB2 GLN 24 -2.166 4.197 -10.047 182 2HB GLN 24 HB3 GLN 24 -3.707 4.171 -9.188 183 1HG GLN 24 HG2 GLN 24 -3.763 6.556 -9.019 184 2HG GLN 24 HG3 GLN 24 -2.088 6.699 -9.560 185 1HE2 GLN 24 HE22 GLN 24 -2.883 6.165 -13.017 186 2HE2 GLN 24 HE21 GLN 24 -1.645 6.000 -11.867 187 H LYS 25 HN LYS 25 -2.396 2.124 -8.567 188 HA LYS 25 HA LYS 25 -4.196 1.285 -6.582 189 1HB LYS 25 HB2 LYS 25 -2.862 -0.010 -8.578 190 2HB LYS 25 HB3 LYS 25 -1.941 -0.576 -7.184 191 1HG LYS 25 HG2 LYS 25 -3.703 -1.808 -6.352 192 2HG LYS 25 HG3 LYS 25 -4.887 -0.615 -6.907 193 1HD LYS 25 HD2 LYS 25 -3.643 -1.736 -9.207 194 2HD LYS 25 HD3 LYS 25 -4.138 -3.066 -8.160 195 1HE LYS 25 HE2 LYS 25 -6.407 -2.347 -8.136 196 2HE LYS 25 HE3 LYS 25 -5.995 -0.776 -8.821 197 1HZ LYS 25 HZ2 LYS 25 -5.063 -2.298 -10.730 198 2HZ LYS 25 HZ3 LYS 25 -6.240 -3.373 -10.138 199 3HZ LYS 25 HZ1 LYS 25 -6.700 -1.838 -10.684 200 H TYR 26 HN TYR 26 -0.714 0.727 -6.567 201 HA TYR 26 HA TYR 26 -0.113 -0.062 -4.038 202 1HB TYR 26 HB2 TYR 26 1.090 1.574 -6.088 203 2HB TYR 26 HB3 TYR 26 1.812 1.815 -4.497 204 HD1 TYR 26 HD2 TYR 26 0.544 -1.615 -4.556 205 HD2 TYR 26 HD1 TYR 26 3.655 0.975 -6.089 206 HE1 TYR 26 HE2 TYR 26 1.925 -3.488 -4.919 207 HE2 TYR 26 HE1 TYR 26 5.080 -0.968 -6.463 208 HH TYR 26 HH TYR 26 4.639 -3.548 -6.862 209 H ARG 27 HN ARG 27 -0.686 3.542 -4.663 210 HA ARG 27 HA ARG 27 -0.146 3.995 -1.891 211 1HB ARG 27 HB2 ARG 27 -0.871 6.253 -2.340 212 2HB ARG 27 HB3 ARG 27 -0.413 5.673 -3.943 213 1HG ARG 27 HG2 ARG 27 -2.584 5.282 -4.581 214 2HG ARG 27 HG3 ARG 27 -3.223 5.388 -2.913 215 1HD ARG 27 HD2 ARG 27 -1.796 7.758 -4.063 216 2HD ARG 27 HD3 ARG 27 -3.441 7.444 -4.617 217 HE ARG 27 HE ARG 27 -3.379 7.305 -1.761 218 1HH1 ARG 27 HH22 ARG 27 -1.787 9.772 -3.092 219 2HH1 ARG 27 HH21 ARG 27 -2.957 11.011 -2.782 220 1HH2 ARG 27 HH12 ARG 27 -5.472 8.787 -1.913 221 2HH2 ARG 27 HH11 ARG 27 -5.044 10.454 -2.114 222 H ALA 28 HN ALA 28 -3.039 3.375 -3.763 223 HA ALA 28 HA ALA 28 -4.945 3.254 -1.653 224 1HB ALA 28 HB3 ALA 28 -5.560 3.252 -4.051 225 2HB ALA 28 HB1 ALA 28 -4.870 1.638 -4.223 226 3HB ALA 28 HB2 ALA 28 -6.289 1.887 -3.205 227 H ASN 29 HN ASN 29 -4.046 0.218 -3.326 228 HA ASN 29 HA ASN 29 -4.586 -1.498 -1.244 229 1HB ASN 29 HB2 ASN 29 -3.412 -3.187 -2.460 230 2HB ASN 29 HB3 ASN 29 -4.127 -2.086 -3.620 231 1HD2 ASN 29 HD22 ASN 29 -1.172 -1.187 -5.099 232 2HD2 ASN 29 HD21 ASN 29 -2.852 -0.987 -4.932 233 H CYS 30 HN CYS 30 -1.924 0.623 -1.296 234 HA CYS 30 HA CYS 30 -0.693 -0.919 0.947 235 1HB CYS 30 HB2 CYS 30 0.844 1.111 -0.756 236 2HB CYS 30 HB3 CYS 30 1.493 -0.029 0.418 237 H ALA 31 HN ALA 31 -2.843 0.632 1.145 238 HA ALA 31 HA ALA 31 -2.020 3.278 2.045 239 1HB ALA 31 HB2 ALA 31 -4.636 1.882 1.584 240 2HB ALA 31 HB3 ALA 31 -4.629 3.268 2.672 241 3HB ALA 31 HB1 ALA 31 -4.105 3.456 0.999 242 H LYS 32 HN LYS 32 -2.212 0.159 3.290 243 HA LYS 32 HA LYS 32 -2.981 0.785 6.053 244 1HB LYS 32 HB2 LYS 32 -2.732 -1.592 6.333 245 2HB LYS 32 HB3 LYS 32 -3.352 -1.373 4.692 246 1HG LYS 32 HG2 LYS 32 -1.128 -1.663 3.776 247 2HG LYS 32 HG3 LYS 32 -0.430 -1.746 5.389 248 1HD LYS 32 HD2 LYS 32 -2.549 -3.656 5.235 249 2HD LYS 32 HD3 LYS 32 -1.529 -3.863 3.822 250 1HE LYS 32 HE2 LYS 32 -1.051 -5.057 6.173 251 2HE LYS 32 HE3 LYS 32 0.247 -4.644 5.067 252 1HZ LYS 32 HZ3 LYS 32 -0.689 -2.761 7.153 253 2HZ LYS 32 HZ1 LYS 32 0.439 -3.973 7.511 254 3HZ LYS 32 HZ2 LYS 32 0.806 -2.793 6.342 255 H THR 33 HN THR 33 -0.319 0.025 3.989 256 HA THR 33 HA THR 33 1.856 0.035 5.899 257 HB THR 33 HB THR 33 2.235 0.454 2.969 258 HG1 THR 33 HG1 THR 33 1.784 -2.127 3.676 259 1HG2 THR 33 HG21 THR 33 3.966 -0.039 4.915 260 2HG2 THR 33 HG22 THR 33 3.443 -1.702 4.641 261 3HG2 THR 33 HG23 THR 33 4.152 -0.770 3.321 262 H CYS 34 HN CYS 34 0.473 2.470 3.743 263 HA CYS 34 HA CYS 34 2.520 4.367 4.803 264 1HB CYS 34 HB2 CYS 34 1.855 3.998 2.200 265 2HB CYS 34 HB3 CYS 34 0.691 5.217 2.648 266 H GLU 35 HN GLU 35 -0.670 3.412 5.238 267 HA GLU 35 HA GLU 35 -2.401 4.301 6.430 268 1HB GLU 35 HB2 GLU 35 -0.268 6.304 7.184 269 2HB GLU 35 HB3 GLU 35 -1.886 6.258 7.935 270 1HG GLU 35 HG2 GLU 35 -1.679 3.981 8.538 271 2HG GLU 35 HG3 GLU 35 -0.192 3.800 7.615 272 H LEU 36 HN LEU 36 -2.256 4.726 3.820 273 HA LEU 36 HA LEU 36 -3.167 7.432 3.100 274 1HB LEU 36 HB2 LEU 36 -2.985 4.821 1.615 275 2HB LEU 36 HB3 LEU 36 -3.588 6.234 0.820 276 HG LEU 36 HG LEU 36 -0.896 6.029 2.133 277 1HD1 LEU 36 HD11 LEU 36 -1.811 5.341 -0.609 278 2HD1 LEU 36 HD12 LEU 36 -0.369 6.342 -0.537 279 3HD1 LEU 36 HD13 LEU 36 -0.388 4.779 0.268 280 1HD2 LEU 36 HD22 LEU 36 -2.440 8.237 1.071 281 2HD2 LEU 36 HD23 LEU 36 -0.912 8.274 1.954 282 3HD2 LEU 36 HD21 LEU 36 -0.914 8.072 0.203 283 H CYS 37 HN CYS 37 -4.396 4.430 4.371 284 HA CYS 37 HA CYS 37 -7.108 4.927 3.330 285 1HB CYS 37 HB2 CYS 37 -6.264 2.608 3.526 286 2HB CYS 37 HB3 CYS 37 -6.069 2.832 5.265 No H/Q in entry = 286 Start of MODEL 13 1 1H VAL 1 HN VAL 1 -14.687 0.859 1.136 2 2H VAL 1 HN3 VAL 1 -15.204 -0.692 1.578 3 3H VAL 1 HN2 VAL 1 -15.905 0.675 2.308 4 HA VAL 1 HA VAL 1 -14.107 1.094 3.639 5 HB VAL 1 HB VAL 1 -14.222 -1.895 3.161 6 1HG1 VAL 1 HG13 VAL 1 -12.628 -0.243 5.095 7 2HG1 VAL 1 HG11 VAL 1 -13.250 -1.810 5.610 8 3HG1 VAL 1 HG12 VAL 1 -12.158 -1.706 4.228 9 1HG2 VAL 1 HG22 VAL 1 -15.543 0.066 5.034 10 2HG2 VAL 1 HG23 VAL 1 -16.292 -1.187 4.044 11 3HG2 VAL 1 HG21 VAL 1 -15.382 -1.630 5.489 12 H CYS 2 HN CYS 2 -12.010 1.750 3.528 13 HA CYS 2 HA CYS 2 -10.405 0.867 1.212 14 1HB CYS 2 HB2 CYS 2 -10.706 3.310 2.020 15 2HB CYS 2 HB3 CYS 2 -9.564 2.887 3.291 16 H ARG 3 HN ARG 3 -7.921 0.544 1.787 17 HA ARG 3 HA ARG 3 -6.775 -0.197 4.128 18 1HB ARG 3 HB2 ARG 3 -7.241 -2.756 4.125 19 2HB ARG 3 HB3 ARG 3 -8.489 -1.718 4.816 20 1HG ARG 3 HG2 ARG 3 -9.979 -2.243 3.204 21 2HG ARG 3 HG3 ARG 3 -8.779 -2.070 1.923 22 1HD ARG 3 HD2 ARG 3 -9.816 -4.441 2.455 23 2HD ARG 3 HD3 ARG 3 -8.106 -4.289 2.058 24 HE ARG 3 HE ARG 3 -7.592 -4.896 4.282 25 1HH1 ARG 3 HH22 ARG 3 -8.713 -3.182 6.119 26 2HH1 ARG 3 HH21 ARG 3 -10.110 -3.975 6.767 27 1HH2 ARG 3 HH12 ARG 3 -10.338 -6.267 4.174 28 2HH2 ARG 3 HH11 ARG 3 -11.029 -5.722 5.665 29 H ASP 4 HN ASP 4 -5.471 -2.611 3.526 30 HA ASP 4 HA ASP 4 -3.982 -1.792 1.150 31 1HB ASP 4 HB2 ASP 4 -2.502 -3.643 1.674 32 2HB ASP 4 HB3 ASP 4 -2.949 -2.908 3.218 33 H TRP 5 HN TRP 5 -3.471 -4.153 -0.324 34 HA TRP 5 HA TRP 5 -6.093 -5.440 -0.685 35 1HB TRP 5 HB2 TRP 5 -5.088 -3.320 -2.498 36 2HB TRP 5 HB3 TRP 5 -5.745 -4.760 -3.289 37 HD1 TRP 5 HD1 TRP 5 -6.867 -1.590 -1.937 38 HE1 TRP 5 HE1 TRP 5 -9.388 -1.619 -1.411 39 HE3 TRP 5 HE3 TRP 5 -7.732 -6.602 -2.148 40 HZ2 TRP 5 HZ2 TRP 5 -11.506 -3.536 -1.115 41 HZ3 TRP 5 HZ3 TRP 5 -10.001 -7.510 -1.742 42 HH2 TRP 5 HH2 TRP 5 -11.886 -5.989 -1.227 43 H PHE 6 HN PHE 6 -2.609 -5.196 -1.743 44 HA PHE 6 HA PHE 6 -2.888 -7.763 -3.111 45 1HB PHE 6 HB2 PHE 6 -0.346 -6.400 -2.123 46 2HB PHE 6 HB3 PHE 6 -0.500 -7.550 -3.455 47 HD1 PHE 6 HD1 PHE 6 -3.165 -6.235 -4.443 48 HD2 PHE 6 HD2 PHE 6 0.751 -4.759 -3.471 49 HE1 PHE 6 HE1 PHE 6 -3.498 -4.382 -5.968 50 HE2 PHE 6 HE2 PHE 6 0.455 -2.907 -4.976 51 HZ PHE 6 HZ PHE 6 -1.689 -2.675 -6.268 52 H LYS 7 HN LYS 7 -0.197 -8.582 -1.723 53 HA LYS 7 HA LYS 7 -1.431 -9.775 0.651 54 1HB LYS 7 HB2 LYS 7 1.146 -9.958 -0.783 55 2HB LYS 7 HB3 LYS 7 1.373 -9.904 0.966 56 1HG LYS 7 HG2 LYS 7 -0.545 -11.797 -0.413 57 2HG LYS 7 HG3 LYS 7 1.102 -12.233 0.043 58 1HD LYS 7 HD2 LYS 7 -0.204 -10.987 2.283 59 2HD LYS 7 HD3 LYS 7 -1.205 -12.310 1.681 60 1HE LYS 7 HE2 LYS 7 0.916 -13.730 1.660 61 2HE LYS 7 HE3 LYS 7 1.673 -12.438 2.592 62 1HZ LYS 7 HZ1 LYS 7 -0.872 -13.133 3.657 63 2HZ LYS 7 HZ2 LYS 7 0.146 -14.493 3.576 64 3HZ LYS 7 HZ3 LYS 7 0.638 -13.104 4.423 65 H GLU 8 HN GLU 8 -1.016 -8.897 2.857 66 HA GLU 8 HA GLU 8 -0.815 -6.059 3.029 67 1HB GLU 8 HB2 GLU 8 -0.628 -8.346 4.916 68 2HB GLU 8 HB3 GLU 8 0.101 -6.841 5.471 69 1HG GLU 8 HG2 GLU 8 -1.941 -6.028 5.958 70 2HG GLU 8 HG3 GLU 8 -2.424 -6.220 4.271 71 H THR 9 HN THR 9 1.684 -8.371 2.470 72 HA THR 9 HA THR 9 3.705 -6.436 3.364 73 HB THR 9 HB THR 9 5.256 -8.357 2.787 74 HG1 THR 9 HG1 THR 9 3.573 -10.298 2.687 75 1HG2 THR 9 HG21 THR 9 3.161 -8.017 4.756 76 2HG2 THR 9 HG22 THR 9 3.591 -9.722 4.578 77 3HG2 THR 9 HG23 THR 9 4.833 -8.534 4.990 78 H ALA 10 HN ALA 10 2.283 -7.594 0.388 79 HA ALA 10 HA ALA 10 4.126 -6.720 -1.597 80 1HB ALA 10 HB1 ALA 10 1.420 -7.404 -1.720 81 2HB ALA 10 HB2 ALA 10 1.360 -5.660 -1.951 82 3HB ALA 10 HB3 ALA 10 2.294 -6.656 -3.059 83 H CYS 11 HN CYS 11 1.791 -5.125 0.380 84 HA CYS 11 HA CYS 11 2.117 -2.437 -0.434 85 1HB CYS 11 HB2 CYS 11 1.249 -3.744 2.191 86 2HB CYS 11 HB3 CYS 11 0.924 -2.055 1.718 87 H ARG 12 HN ARG 12 3.449 -3.931 2.581 88 HA ARG 12 HA ARG 12 5.186 -1.940 3.337 89 1HB ARG 12 HB2 ARG 12 4.875 -4.261 4.392 90 2HB ARG 12 HB3 ARG 12 6.173 -4.783 3.297 91 1HG ARG 12 HG2 ARG 12 7.135 -2.397 4.204 92 2HG ARG 12 HG3 ARG 12 6.326 -3.028 5.644 93 1HD ARG 12 HD2 ARG 12 7.605 -5.272 4.757 94 2HD ARG 12 HD3 ARG 12 8.747 -4.025 4.257 95 HE ARG 12 HE ARG 12 7.796 -3.875 7.050 96 1HH1 ARG 12 HH22 ARG 12 10.202 -2.447 6.612 97 2HH1 ARG 12 HH21 ARG 12 11.472 -3.571 6.960 98 1HH2 ARG 12 HH12 ARG 12 9.430 -6.362 6.708 99 2HH2 ARG 12 HH11 ARG 12 11.035 -5.788 7.015 100 H HIS 13 HN HIS 13 5.661 -4.037 0.519 101 HA HIS 13 HA HIS 13 8.437 -3.378 0.160 102 1HB HIS 13 HB2 HIS 13 7.746 -5.132 -1.245 103 2HB HIS 13 HB3 HIS 13 6.203 -4.364 -1.601 104 HD1 HIS 13 HD1 HIS 13 6.063 -3.044 -3.734 105 HD2 HIS 13 HD2 HIS 13 10.011 -3.816 -2.640 106 HE1 HIS 13 HE1 HIS 13 7.505 -2.232 -5.647 107 H ALA 14 HN ALA 14 5.459 -2.095 -1.212 108 HA ALA 14 HA ALA 14 6.538 0.219 -2.552 109 1HB ALA 14 HB2 ALA 14 4.285 -1.009 -2.756 110 2HB ALA 14 HB3 ALA 14 3.781 -0.033 -1.380 111 3HB ALA 14 HB1 ALA 14 4.270 0.751 -2.884 112 H LYS 15 HN LYS 15 4.532 0.250 0.400 113 HA LYS 15 HA LYS 15 5.016 2.941 1.110 114 1HB LYS 15 HB2 LYS 15 4.363 0.623 2.996 115 2HB LYS 15 HB3 LYS 15 3.955 2.329 3.176 116 1HG LYS 15 HG2 LYS 15 2.845 0.391 1.187 117 2HG LYS 15 HG3 LYS 15 2.019 1.527 2.235 118 1HD LYS 15 HD2 LYS 15 2.690 3.399 0.866 119 2HD LYS 15 HD3 LYS 15 3.722 2.442 -0.146 120 1HE LYS 15 HE2 LYS 15 1.231 1.114 -0.103 121 2HE LYS 15 HE3 LYS 15 0.907 2.826 -0.391 122 1HZ LYS 15 HZ1 LYS 15 3.197 1.846 -1.820 123 2HZ LYS 15 HZ2 LYS 15 1.771 1.056 -2.267 124 3HZ LYS 15 HZ3 LYS 15 1.891 2.754 -2.382 125 H SER 16 HN SER 16 7.221 0.121 1.440 126 HA SER 16 HA SER 16 8.905 1.689 3.307 127 1HB SER 16 HB2 SER 16 8.356 -0.856 3.478 128 2HB SER 16 HB3 SER 16 9.526 -1.007 2.172 129 HG SER 16 HG SER 16 10.731 0.530 3.805 130 H LEU 17 HN LEU 17 8.656 0.937 -0.072 131 HA LEU 17 HA LEU 17 11.517 1.398 -0.569 132 1HB LEU 17 HB2 LEU 17 11.126 0.559 -2.721 133 2HB LEU 17 HB3 LEU 17 10.047 -0.346 -1.680 134 HG LEU 17 HG LEU 17 8.231 1.245 -2.333 135 1HD1 LEU 17 HD13 LEU 17 10.473 2.511 -3.614 136 2HD1 LEU 17 HD11 LEU 17 9.365 1.963 -4.877 137 3HD1 LEU 17 HD12 LEU 17 8.789 3.062 -3.615 138 1HD2 LEU 17 HD21 LEU 17 9.541 -0.971 -3.480 139 2HD2 LEU 17 HD22 LEU 17 7.824 -0.587 -3.604 140 3HD2 LEU 17 HD23 LEU 17 8.950 -0.007 -4.826 141 H GLY 18 HN GLY 18 8.542 2.956 -1.404 142 1HA GLY 18 HA1 GLY 18 9.106 5.598 -1.093 143 2HA GLY 18 HA2 GLY 18 9.915 5.253 -2.618 144 H ASN 19 HN ASN 19 7.206 3.219 -2.654 145 HA ASN 19 HA ASN 19 5.761 5.040 -4.419 146 1HB ASN 19 HB2 ASN 19 4.654 2.428 -3.615 147 2HB ASN 19 HB3 ASN 19 4.624 3.239 -5.095 148 1HD2 ASN 19 HD22 ASN 19 6.966 0.204 -5.065 149 2HD2 ASN 19 HD21 ASN 19 5.500 0.421 -4.253 150 H CYS 20 HN CYS 20 5.843 5.463 -1.475 151 HA CYS 20 HA CYS 20 3.217 4.664 -0.393 152 1HB CYS 20 HB2 CYS 20 5.448 5.205 0.890 153 2HB CYS 20 HB3 CYS 20 4.831 6.862 0.765 154 H ARG 21 HN ARG 21 2.947 6.176 -2.765 155 HA ARG 21 HA ARG 21 0.861 7.796 -2.634 156 1HB ARG 21 HB2 ARG 21 3.157 9.155 -1.406 157 2HB ARG 21 HB3 ARG 21 2.222 10.139 -2.544 158 1HG ARG 21 HG2 ARG 21 0.389 10.194 -1.208 159 2HG ARG 21 HG3 ARG 21 0.551 8.487 -0.788 160 1HD ARG 21 HD2 ARG 21 1.586 8.969 1.163 161 2HD ARG 21 HD3 ARG 21 2.680 10.109 0.380 162 HE ARG 21 HE ARG 21 0.162 10.784 1.717 163 1HH1 ARG 21 HH22 ARG 21 -0.525 12.322 -0.458 164 2HH1 ARG 21 HH21 ARG 21 0.495 13.722 -0.430 165 1HH2 ARG 21 HH12 ARG 21 2.827 12.308 1.710 166 2HH2 ARG 21 HH11 ARG 21 2.393 13.713 0.797 167 H THR 22 HN THR 22 3.988 7.233 -4.157 168 HA THR 22 HA THR 22 3.229 8.961 -6.421 169 HB THR 22 HB THR 22 5.433 8.241 -7.340 170 HG1 THR 22 HG1 THR 22 6.338 6.547 -6.528 171 1HG2 THR 22 HG22 THR 22 5.479 9.207 -4.473 172 2HG2 THR 22 HG23 THR 22 6.835 9.312 -5.596 173 3HG2 THR 22 HG21 THR 22 5.353 10.214 -5.915 174 H SER 23 HN SER 23 2.695 5.717 -5.354 175 HA SER 23 HA SER 23 2.262 4.911 -8.203 176 1HB SER 23 HB2 SER 23 3.983 3.643 -6.941 177 2HB SER 23 HB3 SER 23 2.838 3.356 -5.648 178 HG SER 23 HG SER 23 1.544 2.429 -7.574 179 H GLN 24 HN GLN 24 0.118 4.142 -8.686 180 HA GLN 24 HA GLN 24 -1.858 5.233 -6.876 181 1HB GLN 24 HB2 GLN 24 -1.791 4.621 -9.614 182 2HB GLN 24 HB3 GLN 24 -3.087 3.642 -8.922 183 1HG GLN 24 HG2 GLN 24 -3.826 5.786 -7.706 184 2HG GLN 24 HG3 GLN 24 -2.766 6.642 -8.828 185 1HE2 GLN 24 HE22 GLN 24 -6.250 6.327 -10.287 186 2HE2 GLN 24 HE21 GLN 24 -5.686 6.897 -8.791 187 H LYS 25 HN LYS 25 -1.968 1.826 -8.197 188 HA LYS 25 HA LYS 25 -3.728 0.994 -6.143 189 1HB LYS 25 HB2 LYS 25 -2.568 -0.272 -8.243 190 2HB LYS 25 HB3 LYS 25 -1.582 -0.926 -6.928 191 1HG LYS 25 HG2 LYS 25 -3.379 -1.962 -5.888 192 2HG LYS 25 HG3 LYS 25 -4.539 -0.814 -6.553 193 1HD LYS 25 HD2 LYS 25 -4.692 -3.109 -7.567 194 2HD LYS 25 HD3 LYS 25 -4.405 -1.819 -8.737 195 1HE LYS 25 HE2 LYS 25 -1.884 -2.377 -8.384 196 2HE LYS 25 HE3 LYS 25 -2.480 -3.895 -7.713 197 1HZ LYS 25 HZ3 LYS 25 -3.924 -3.582 -9.994 198 2HZ LYS 25 HZ1 LYS 25 -2.391 -3.017 -10.439 199 3HZ LYS 25 HZ2 LYS 25 -2.565 -4.586 -9.806 200 H TYR 26 HN TYR 26 -0.226 1.121 -6.295 201 HA TYR 26 HA TYR 26 0.529 0.009 -3.836 202 1HB TYR 26 HB2 TYR 26 1.364 2.161 -5.663 203 2HB TYR 26 HB3 TYR 26 2.277 2.004 -4.145 204 HD1 TYR 26 HD2 TYR 26 0.633 -1.001 -5.401 205 HD2 TYR 26 HD1 TYR 26 4.262 1.293 -5.573 206 HE1 TYR 26 HE2 TYR 26 1.804 -2.935 -6.276 207 HE2 TYR 26 HE1 TYR 26 5.471 -0.662 -6.463 208 HH TYR 26 HH TYR 26 4.890 -2.772 -7.709 209 H ARG 27 HN ARG 27 0.450 3.615 -4.138 210 HA ARG 27 HA ARG 27 0.120 4.134 -1.454 211 1HB ARG 27 HB2 ARG 27 -0.135 6.318 -2.086 212 2HB ARG 27 HB3 ARG 27 0.311 5.645 -3.657 213 1HG ARG 27 HG2 ARG 27 -1.922 5.543 -4.358 214 2HG ARG 27 HG3 ARG 27 -2.550 5.942 -2.728 215 1HD ARG 27 HD2 ARG 27 -0.622 7.887 -3.776 216 2HD ARG 27 HD3 ARG 27 -2.069 7.759 -4.775 217 HE ARG 27 HE ARG 27 -2.855 7.934 -2.031 218 1HH1 ARG 27 HH22 ARG 27 -0.541 9.950 -3.129 219 2HH1 ARG 27 HH21 ARG 27 -1.505 11.389 -3.188 220 1HH2 ARG 27 HH12 ARG 27 -4.506 9.712 -2.727 221 2HH2 ARG 27 HH11 ARG 27 -3.751 11.253 -2.961 222 H ALA 28 HN ALA 28 -2.754 3.994 -3.632 223 HA ALA 28 HA ALA 28 -4.593 4.024 -1.431 224 1HB ALA 28 HB3 ALA 28 -5.143 4.647 -3.800 225 2HB ALA 28 HB1 ALA 28 -5.079 2.933 -4.210 226 3HB ALA 28 HB2 ALA 28 -6.289 3.523 -3.070 227 H ASN 29 HN ASN 29 -4.188 1.282 -3.704 228 HA ASN 29 HA ASN 29 -5.344 -0.591 -2.028 229 1HB ASN 29 HB2 ASN 29 -3.576 -0.880 -4.381 230 2HB ASN 29 HB3 ASN 29 -3.776 -2.298 -3.355 231 1HD2 ASN 29 HD22 ASN 29 -7.246 -0.754 -4.931 232 2HD2 ASN 29 HD21 ASN 29 -6.066 0.315 -4.342 233 H CYS 30 HN CYS 30 -2.433 0.825 -1.212 234 HA CYS 30 HA CYS 30 -1.917 -1.333 0.769 235 1HB CYS 30 HB2 CYS 30 0.094 0.017 -1.103 236 2HB CYS 30 HB3 CYS 30 0.580 -0.785 0.391 237 H ALA 31 HN ALA 31 -3.511 0.711 0.938 238 HA ALA 31 HA ALA 31 -2.473 3.156 1.998 239 1HB ALA 31 HB3 ALA 31 -4.678 2.931 0.961 240 2HB ALA 31 HB1 ALA 31 -5.193 1.865 2.267 241 3HB ALA 31 HB2 ALA 31 -4.821 3.558 2.603 242 H LYS 32 HN LYS 32 -2.597 0.065 3.364 243 HA LYS 32 HA LYS 32 -3.052 0.932 6.160 244 1HB LYS 32 HB2 LYS 32 -3.613 -1.266 6.287 245 2HB LYS 32 HB3 LYS 32 -3.016 -1.534 4.655 246 1HG LYS 32 HG2 LYS 32 -0.696 -1.750 5.610 247 2HG LYS 32 HG3 LYS 32 -1.413 -1.689 7.227 248 1HD LYS 32 HD2 LYS 32 -1.847 -3.887 7.093 249 2HD LYS 32 HD3 LYS 32 -2.707 -3.675 5.556 250 1HE LYS 32 HE2 LYS 32 0.252 -3.410 5.519 251 2HE LYS 32 HE3 LYS 32 -0.383 -5.047 5.621 252 1HZ LYS 32 HZ2 LYS 32 -1.111 -3.006 3.588 253 2HZ LYS 32 HZ3 LYS 32 -0.106 -4.353 3.329 254 3HZ LYS 32 HZ1 LYS 32 -1.745 -4.580 3.680 255 H THR 33 HN THR 33 -0.633 -0.128 3.986 256 HA THR 33 HA THR 33 1.765 -0.077 5.655 257 HB THR 33 HB THR 33 1.371 -0.166 2.663 258 HG1 THR 33 HG1 THR 33 1.175 -2.463 4.194 259 1HG2 THR 33 HG21 THR 33 3.564 -0.655 4.400 260 2HG2 THR 33 HG22 THR 33 2.993 -2.229 3.829 261 3HG2 THR 33 HG23 THR 33 3.454 -0.980 2.669 262 H CYS 34 HN CYS 34 -0.013 2.102 3.655 263 HA CYS 34 HA CYS 34 2.181 4.130 3.792 264 1HB CYS 34 HB2 CYS 34 1.030 3.256 1.647 265 2HB CYS 34 HB3 CYS 34 -0.293 4.263 2.086 266 H GLU 35 HN GLU 35 -0.769 3.248 5.220 267 HA GLU 35 HA GLU 35 -2.262 4.334 6.578 268 1HB GLU 35 HB2 GLU 35 0.177 6.109 6.813 269 2HB GLU 35 HB3 GLU 35 -1.286 6.363 7.807 270 1HG GLU 35 HG2 GLU 35 -1.259 4.182 8.665 271 2HG GLU 35 HG3 GLU 35 -0.081 3.642 7.475 272 H LEU 36 HN LEU 36 -2.257 4.720 3.825 273 HA LEU 36 HA LEU 36 -3.139 7.466 3.275 274 1HB LEU 36 HB2 LEU 36 -3.043 4.910 1.690 275 2HB LEU 36 HB3 LEU 36 -3.577 6.383 0.948 276 HG LEU 36 HG LEU 36 -0.898 6.016 2.289 277 1HD1 LEU 36 HD11 LEU 36 -1.782 5.799 -0.593 278 2HD1 LEU 36 HD12 LEU 36 -0.134 6.303 -0.195 279 3HD1 LEU 36 HD13 LEU 36 -0.717 4.728 0.323 280 1HD2 LEU 36 HD21 LEU 36 -1.750 8.351 2.259 281 2HD2 LEU 36 HD22 LEU 36 -0.326 8.155 1.237 282 3HD2 LEU 36 HD23 LEU 36 -1.929 8.246 0.505 283 H CYS 37 HN CYS 37 -4.387 4.565 4.656 284 HA CYS 37 HA CYS 37 -7.118 5.686 4.355 285 1HB CYS 37 HB2 CYS 37 -6.253 2.890 3.605 286 2HB CYS 37 HB3 CYS 37 -7.912 3.249 4.076 No H/Q in entry = 286 Start of MODEL 14 1 1H VAL 1 HN3 VAL 1 -13.353 -0.875 -0.096 2 2H VAL 1 HN2 VAL 1 -14.678 -0.535 0.914 3 3H VAL 1 HN VAL 1 -14.520 0.249 -0.587 4 HA VAL 1 HA VAL 1 -13.539 1.911 0.484 5 HB VAL 1 HB VAL 1 -14.553 0.956 2.576 6 1HG1 VAL 1 HG12 VAL 1 -12.805 -1.096 2.221 7 2HG1 VAL 1 HG13 VAL 1 -11.926 -0.133 3.410 8 3HG1 VAL 1 HG11 VAL 1 -13.552 -0.713 3.772 9 1HG2 VAL 1 HG22 VAL 1 -12.620 2.892 2.286 10 2HG2 VAL 1 HG23 VAL 1 -13.482 2.564 3.789 11 3HG2 VAL 1 HG21 VAL 1 -11.896 1.845 3.507 12 H CYS 2 HN CYS 2 -11.406 2.705 0.482 13 HA CYS 2 HA CYS 2 -9.418 1.084 -0.721 14 1HB CYS 2 HB2 CYS 2 -7.825 2.946 0.116 15 2HB CYS 2 HB3 CYS 2 -9.127 3.420 -0.972 16 H ARG 3 HN ARG 3 -7.158 0.780 0.408 17 HA ARG 3 HA ARG 3 -6.362 0.558 2.931 18 1HB ARG 3 HB2 ARG 3 -7.229 -1.742 3.709 19 2HB ARG 3 HB3 ARG 3 -8.376 -0.407 3.836 20 1HG ARG 3 HG2 ARG 3 -9.805 -1.505 2.503 21 2HG ARG 3 HG3 ARG 3 -8.606 -1.485 1.208 22 1HD ARG 3 HD2 ARG 3 -9.112 -3.790 1.586 23 2HD ARG 3 HD3 ARG 3 -7.540 -3.507 2.333 24 HE ARG 3 HE ARG 3 -8.962 -4.625 4.021 25 1HH1 ARG 3 HH22 ARG 3 -11.437 -2.957 3.198 26 2HH1 ARG 3 HH21 ARG 3 -11.601 -1.940 4.591 27 1HH2 ARG 3 HH12 ARG 3 -8.431 -2.635 5.806 28 2HH2 ARG 3 HH11 ARG 3 -9.903 -1.758 6.065 29 H ASP 4 HN ASP 4 -5.052 -1.692 3.313 30 HA ASP 4 HA ASP 4 -3.385 -2.054 1.069 31 1HB ASP 4 HB2 ASP 4 -2.839 -4.332 2.140 32 2HB ASP 4 HB3 ASP 4 -2.620 -2.931 3.190 33 H TRP 5 HN TRP 5 -3.325 -4.221 -0.357 34 HA TRP 5 HA TRP 5 -6.035 -5.396 -0.559 35 1HB TRP 5 HB2 TRP 5 -4.961 -3.376 -2.449 36 2HB TRP 5 HB3 TRP 5 -5.758 -4.773 -3.182 37 HD1 TRP 5 HD1 TRP 5 -6.536 -1.519 -1.669 38 HE1 TRP 5 HE1 TRP 5 -9.042 -1.334 -1.116 39 HE3 TRP 5 HE3 TRP 5 -7.897 -6.402 -2.180 40 HZ2 TRP 5 HZ2 TRP 5 -11.338 -3.043 -0.914 41 HZ3 TRP 5 HZ3 TRP 5 -10.243 -7.101 -1.802 42 HH2 TRP 5 HH2 TRP 5 -11.963 -5.435 -1.171 43 H PHE 6 HN PHE 6 -2.596 -5.299 -1.695 44 HA PHE 6 HA PHE 6 -2.912 -7.848 -3.102 45 1HB PHE 6 HB2 PHE 6 -0.450 -6.371 -2.098 46 2HB PHE 6 HB3 PHE 6 -0.473 -7.619 -3.349 47 HD1 PHE 6 HD2 PHE 6 -3.056 -6.625 -4.698 48 HD2 PHE 6 HD1 PHE 6 0.510 -4.646 -3.364 49 HE1 PHE 6 HE2 PHE 6 -3.410 -4.882 -6.364 50 HE2 PHE 6 HE1 PHE 6 0.190 -2.903 -5.005 51 HZ PHE 6 HZ PHE 6 -1.788 -2.995 -6.540 52 H LYS 7 HN LYS 7 -0.215 -8.659 -1.741 53 HA LYS 7 HA LYS 7 -1.418 -9.946 0.597 54 1HB LYS 7 HB2 LYS 7 0.730 -10.639 -0.898 55 2HB LYS 7 HB3 LYS 7 1.574 -9.647 0.293 56 1HG LYS 7 HG2 LYS 7 1.660 -11.719 1.332 57 2HG LYS 7 HG3 LYS 7 0.170 -11.068 2.020 58 1HD LYS 7 HD2 LYS 7 -1.004 -12.182 -0.006 59 2HD LYS 7 HD3 LYS 7 0.486 -13.116 -0.167 60 1HE LYS 7 HE2 LYS 7 0.230 -14.128 1.943 61 2HE LYS 7 HE3 LYS 7 -0.925 -12.911 2.487 62 1HZ LYS 7 HZ2 LYS 7 -1.654 -14.449 0.126 63 2HZ LYS 7 HZ3 LYS 7 -1.663 -15.287 1.605 64 3HZ LYS 7 HZ1 LYS 7 -2.625 -13.906 1.412 65 H GLU 8 HN GLU 8 -0.966 -9.143 2.858 66 HA GLU 8 HA GLU 8 -0.855 -6.303 3.065 67 1HB GLU 8 HB2 GLU 8 -0.401 -8.545 5.010 68 2HB GLU 8 HB3 GLU 8 -0.002 -6.895 5.493 69 1HG GLU 8 HG2 GLU 8 -2.172 -6.550 5.948 70 2HG GLU 8 HG3 GLU 8 -2.518 -6.740 4.228 71 H THR 9 HN THR 9 1.733 -8.478 2.375 72 HA THR 9 HA THR 9 3.596 -6.395 3.307 73 HB THR 9 HB THR 9 5.315 -8.265 2.568 74 HG1 THR 9 HG1 THR 9 4.393 -10.124 2.151 75 1HG2 THR 9 HG23 THR 9 3.746 -7.526 4.867 76 2HG2 THR 9 HG21 THR 9 4.177 -9.236 4.953 77 3HG2 THR 9 HG22 THR 9 5.444 -8.013 4.794 78 H ALA 10 HN ALA 10 2.231 -7.522 0.335 79 HA ALA 10 HA ALA 10 4.246 -6.601 -1.539 80 1HB ALA 10 HB3 ALA 10 1.249 -6.850 -1.538 81 2HB ALA 10 HB1 ALA 10 1.904 -5.658 -2.655 82 3HB ALA 10 HB2 ALA 10 2.370 -7.355 -2.805 83 H CYS 11 HN CYS 11 1.631 -5.199 0.229 84 HA CYS 11 HA CYS 11 2.011 -2.485 -0.493 85 1HB CYS 11 HB2 CYS 11 0.787 -3.905 1.913 86 2HB CYS 11 HB3 CYS 11 0.599 -2.167 1.626 87 H ARG 12 HN ARG 12 3.498 -4.448 2.074 88 HA ARG 12 HA ARG 12 4.964 -2.343 3.346 89 1HB ARG 12 HB2 ARG 12 5.171 -4.365 4.484 90 2HB ARG 12 HB3 ARG 12 5.467 -5.288 2.996 91 1HG ARG 12 HG2 ARG 12 7.637 -4.544 2.771 92 2HG ARG 12 HG3 ARG 12 7.357 -3.089 3.726 93 1HD ARG 12 HD2 ARG 12 7.782 -4.145 5.705 94 2HD ARG 12 HD3 ARG 12 6.968 -5.625 5.199 95 HE ARG 12 HE ARG 12 9.056 -6.208 3.951 96 1HH1 ARG 12 HH22 ARG 12 11.102 -4.752 3.556 97 2HH1 ARG 12 HH21 ARG 12 11.934 -4.397 5.033 98 1HH2 ARG 12 HH12 ARG 12 9.270 -5.300 7.060 99 2HH2 ARG 12 HH11 ARG 12 10.896 -4.707 7.017 100 H HIS 13 HN HIS 13 5.546 -4.107 0.344 101 HA HIS 13 HA HIS 13 8.238 -3.067 0.006 102 1HB HIS 13 HB2 HIS 13 7.960 -5.072 -1.138 103 2HB HIS 13 HB3 HIS 13 6.330 -4.654 -1.677 104 HD1 HIS 13 HD1 HIS 13 9.827 -4.565 -2.813 105 HD2 HIS 13 HD2 HIS 13 6.314 -2.500 -3.624 106 HE1 HIS 13 HE1 HIS 13 10.205 -3.355 -5.009 107 H ALA 14 HN ALA 14 5.062 -1.839 -0.717 108 HA ALA 14 HA ALA 14 6.298 0.166 -2.586 109 1HB ALA 14 HB3 ALA 14 3.508 -0.631 -1.813 110 2HB ALA 14 HB1 ALA 14 3.794 0.892 -2.661 111 3HB ALA 14 HB2 ALA 14 4.260 -0.641 -3.410 112 H LYS 15 HN LYS 15 4.993 0.042 0.679 113 HA LYS 15 HA LYS 15 4.970 2.972 0.980 114 1HB LYS 15 HB2 LYS 15 4.176 0.562 2.640 115 2HB LYS 15 HB3 LYS 15 4.328 2.135 3.433 116 1HG LYS 15 HG2 LYS 15 2.141 2.190 2.586 117 2HG LYS 15 HG3 LYS 15 3.116 3.103 1.429 118 1HD LYS 15 HD2 LYS 15 3.148 0.344 0.679 119 2HD LYS 15 HD3 LYS 15 1.477 0.840 0.917 120 1HE LYS 15 HE2 LYS 15 3.507 2.238 -0.845 121 2HE LYS 15 HE3 LYS 15 2.165 1.244 -1.396 122 1HZ LYS 15 HZ3 LYS 15 1.821 3.709 0.240 123 2HZ LYS 15 HZ1 LYS 15 1.733 3.658 -1.449 124 3HZ LYS 15 HZ2 LYS 15 0.616 2.790 -0.501 125 H SER 16 HN SER 16 7.105 0.120 1.608 126 HA SER 16 HA SER 16 8.915 1.713 3.298 127 1HB SER 16 HB2 SER 16 8.276 -0.874 3.334 128 2HB SER 16 HB3 SER 16 9.590 -0.929 2.166 129 HG SER 16 HG SER 16 10.372 -1.159 4.310 130 H LEU 17 HN LEU 17 8.617 0.847 -0.085 131 HA LEU 17 HA LEU 17 11.490 1.236 -0.561 132 1HB LEU 17 HB2 LEU 17 11.093 0.229 -2.606 133 2HB LEU 17 HB3 LEU 17 9.794 -0.413 -1.620 134 HG LEU 17 HG LEU 17 8.324 1.376 -2.507 135 1HD1 LEU 17 HD13 LEU 17 10.814 2.239 -3.650 136 2HD1 LEU 17 HD11 LEU 17 9.713 1.828 -4.971 137 3HD1 LEU 17 HD12 LEU 17 9.242 3.034 -3.760 138 1HD2 LEU 17 HD23 LEU 17 9.400 -1.026 -3.616 139 2HD2 LEU 17 HD21 LEU 17 7.739 -0.447 -3.641 140 3HD2 LEU 17 HD22 LEU 17 8.839 0.026 -4.931 141 H GLY 18 HN GLY 18 8.558 2.892 -1.477 142 1HA GLY 18 HA1 GLY 18 9.277 5.513 -1.162 143 2HA GLY 18 HA2 GLY 18 9.981 5.111 -2.729 144 H ASN 19 HN ASN 19 7.512 3.123 -3.082 145 HA ASN 19 HA ASN 19 5.914 4.994 -4.571 146 1HB ASN 19 HB2 ASN 19 4.753 2.400 -3.766 147 2HB ASN 19 HB3 ASN 19 4.716 3.243 -5.231 148 1HD2 ASN 19 HD22 ASN 19 6.917 0.098 -5.223 149 2HD2 ASN 19 HD21 ASN 19 5.517 0.404 -4.324 150 H CYS 20 HN CYS 20 6.051 4.578 -1.274 151 HA CYS 20 HA CYS 20 3.595 3.999 -0.232 152 1HB CYS 20 HB2 CYS 20 4.759 4.888 1.513 153 2HB CYS 20 HB3 CYS 20 5.492 6.162 0.515 154 H ARG 21 HN ARG 21 4.348 7.008 -1.922 155 HA ARG 21 HA ARG 21 1.398 7.520 -2.196 156 1HB ARG 21 HB2 ARG 21 3.437 9.061 -0.975 157 2HB ARG 21 HB3 ARG 21 2.800 9.919 -2.381 158 1HG ARG 21 HG2 ARG 21 0.531 8.820 -1.165 159 2HG ARG 21 HG3 ARG 21 1.490 9.429 0.187 160 1HD ARG 21 HD2 ARG 21 1.313 11.239 -2.150 161 2HD ARG 21 HD3 ARG 21 -0.196 10.987 -1.271 162 HE ARG 21 HE ARG 21 0.830 11.962 0.691 163 1HH1 ARG 21 HH12 ARG 21 3.531 11.344 0.916 164 2HH1 ARG 21 HH11 ARG 21 4.396 12.667 0.207 165 1HH2 ARG 21 HH22 ARG 21 1.649 13.879 -1.528 166 2HH2 ARG 21 HH21 ARG 21 3.330 14.101 -1.177 167 H THR 22 HN THR 22 3.997 6.690 -3.973 168 HA THR 22 HA THR 22 3.441 8.625 -6.172 169 HB THR 22 HB THR 22 5.559 8.137 -7.061 170 HG1 THR 22 HG1 THR 22 5.938 6.079 -7.165 171 1HG2 THR 22 HG21 THR 22 5.381 9.012 -4.514 172 2HG2 THR 22 HG22 THR 22 6.369 7.572 -4.267 173 3HG2 THR 22 HG23 THR 22 6.914 8.836 -5.369 174 H SER 23 HN SER 23 2.478 5.503 -5.235 175 HA SER 23 HA SER 23 1.990 4.878 -8.117 176 1HB SER 23 HB2 SER 23 2.934 3.256 -5.783 177 2HB SER 23 HB3 SER 23 1.994 2.443 -7.046 178 HG SER 23 HG SER 23 4.255 4.118 -7.498 179 H GLN 24 HN GLN 24 -0.161 3.981 -8.579 180 HA GLN 24 HA GLN 24 -2.154 4.993 -6.723 181 1HB GLN 24 HB2 GLN 24 -2.800 3.341 -9.154 182 2HB GLN 24 HB3 GLN 24 -3.774 4.594 -8.386 183 1HG GLN 24 HG2 GLN 24 -2.178 6.309 -9.067 184 2HG GLN 24 HG3 GLN 24 -1.117 5.080 -9.762 185 1HE2 GLN 24 HE21 GLN 24 -2.508 7.322 -11.189 186 2HE2 GLN 24 HE22 GLN 24 -3.464 6.578 -12.379 187 H LYS 25 HN LYS 25 -1.445 1.597 -7.842 188 HA LYS 25 HA LYS 25 -3.376 0.631 -5.851 189 1HB LYS 25 HB2 LYS 25 -2.680 -0.328 -8.238 190 2HB LYS 25 HB3 LYS 25 -1.572 -1.252 -7.184 191 1HG LYS 25 HG2 LYS 25 -3.274 -2.092 -5.841 192 2HG LYS 25 HG3 LYS 25 -4.403 -0.851 -6.361 193 1HD LYS 25 HD2 LYS 25 -3.373 -2.974 -8.251 194 2HD LYS 25 HD3 LYS 25 -4.838 -3.203 -7.292 195 1HE LYS 25 HE2 LYS 25 -4.899 -0.615 -8.574 196 2HE LYS 25 HE3 LYS 25 -4.625 -1.875 -9.777 197 1HZ LYS 25 HZ3 LYS 25 -6.537 -2.886 -8.082 198 2HZ LYS 25 HZ1 LYS 25 -6.988 -1.271 -8.314 199 3HZ LYS 25 HZ2 LYS 25 -6.781 -2.293 -9.656 200 H TYR 26 HN TYR 26 -0.813 1.910 -5.229 201 HA TYR 26 HA TYR 26 0.584 0.110 -3.296 202 1HB TYR 26 HB2 TYR 26 1.207 2.138 -5.391 203 2HB TYR 26 HB3 TYR 26 2.247 2.159 -3.957 204 HD1 TYR 26 HD2 TYR 26 0.779 -1.107 -4.630 205 HD2 TYR 26 HD1 TYR 26 4.056 1.473 -5.665 206 HE1 TYR 26 HE2 TYR 26 2.006 -3.005 -5.433 207 HE2 TYR 26 HE1 TYR 26 5.330 -0.473 -6.494 208 HH TYR 26 HH TYR 26 5.106 -2.679 -7.131 209 H ARG 27 HN ARG 27 0.489 3.649 -3.948 210 HA ARG 27 HA ARG 27 0.089 4.524 -1.320 211 1HB ARG 27 HB2 ARG 27 -0.198 6.586 -2.264 212 2HB ARG 27 HB3 ARG 27 0.253 5.744 -3.758 213 1HG ARG 27 HG2 ARG 27 -2.095 5.352 -4.252 214 2HG ARG 27 HG3 ARG 27 -2.573 6.189 -2.759 215 1HD ARG 27 HD2 ARG 27 -0.936 7.455 -4.974 216 2HD ARG 27 HD3 ARG 27 -2.683 7.639 -4.815 217 HE ARG 27 HE ARG 27 -0.662 8.947 -3.160 218 1HH1 ARG 27 HH22 ARG 27 -2.601 7.435 -1.354 219 2HH1 ARG 27 HH21 ARG 27 -3.795 8.654 -1.052 220 1HH2 ARG 27 HH12 ARG 27 -2.759 10.689 -3.663 221 2HH2 ARG 27 HH11 ARG 27 -3.884 10.496 -2.359 222 H ALA 28 HN ALA 28 -2.332 3.491 -3.686 223 HA ALA 28 HA ALA 28 -4.489 3.930 -1.712 224 1HB ALA 28 HB2 ALA 28 -4.641 4.527 -4.197 225 2HB ALA 28 HB3 ALA 28 -4.855 2.797 -4.470 226 3HB ALA 28 HB1 ALA 28 -6.011 3.683 -3.476 227 H ASN 29 HN ASN 29 -3.253 1.107 -3.622 228 HA ASN 29 HA ASN 29 -5.007 -0.596 -2.040 229 1HB ASN 29 HB2 ASN 29 -3.380 -0.900 -4.421 230 2HB ASN 29 HB3 ASN 29 -3.346 -2.346 -3.399 231 1HD2 ASN 29 HD22 ASN 29 -7.110 -1.148 -4.543 232 2HD2 ASN 29 HD21 ASN 29 -6.032 0.000 -3.910 233 H CYS 30 HN CYS 30 -2.442 0.895 -1.087 234 HA CYS 30 HA CYS 30 -1.652 -1.190 0.862 235 1HB CYS 30 HB2 CYS 30 0.331 0.291 -0.934 236 2HB CYS 30 HB3 CYS 30 0.757 -0.800 0.380 237 H ALA 31 HN ALA 31 -3.285 1.063 0.952 238 HA ALA 31 HA ALA 31 -2.023 3.362 2.102 239 1HB ALA 31 HB2 ALA 31 -4.705 2.377 1.472 240 2HB ALA 31 HB3 ALA 31 -4.670 3.349 2.943 241 3HB ALA 31 HB1 ALA 31 -4.086 4.025 1.420 242 H LYS 32 HN LYS 32 -2.472 0.276 3.311 243 HA LYS 32 HA LYS 32 -2.953 1.015 6.132 244 1HB LYS 32 HB2 LYS 32 -3.781 -1.105 5.968 245 2HB LYS 32 HB3 LYS 32 -2.895 -1.418 4.480 246 1HG LYS 32 HG2 LYS 32 -1.432 -1.367 7.113 247 2HG LYS 32 HG3 LYS 32 -2.328 -2.800 6.629 248 1HD LYS 32 HD2 LYS 32 -0.954 -2.289 4.335 249 2HD LYS 32 HD3 LYS 32 0.192 -1.701 5.538 250 1HE LYS 32 HE2 LYS 32 -0.937 -4.477 5.220 251 2HE LYS 32 HE3 LYS 32 0.757 -4.009 5.322 252 1HZ LYS 32 HZ2 LYS 32 -0.305 -3.075 7.639 253 2HZ LYS 32 HZ3 LYS 32 -1.123 -4.550 7.421 254 3HZ LYS 32 HZ1 LYS 32 0.570 -4.522 7.466 255 H THR 33 HN THR 33 -0.420 0.371 3.873 256 HA THR 33 HA THR 33 1.793 0.043 5.779 257 HB THR 33 HB THR 33 1.886 0.274 2.792 258 HG1 THR 33 HG1 THR 33 1.199 -2.172 3.577 259 1HG2 THR 33 HG21 THR 33 3.741 -0.424 4.582 260 2HG2 THR 33 HG22 THR 33 2.924 -1.995 4.410 261 3HG2 THR 33 HG23 THR 33 3.596 -1.175 2.993 262 H CYS 34 HN CYS 34 0.214 2.565 3.998 263 HA CYS 34 HA CYS 34 2.455 4.339 4.876 264 1HB CYS 34 HB2 CYS 34 1.809 4.137 2.259 265 2HB CYS 34 HB3 CYS 34 0.615 5.283 2.742 266 H GLU 35 HN GLU 35 -0.678 3.494 5.547 267 HA GLU 35 HA GLU 35 -2.349 4.514 6.739 268 1HB GLU 35 HB2 GLU 35 -0.081 6.457 7.260 269 2HB GLU 35 HB3 GLU 35 -1.646 6.516 8.120 270 1HG GLU 35 HG2 GLU 35 -1.463 4.090 8.547 271 2HG GLU 35 HG3 GLU 35 0.180 4.126 7.922 272 H LEU 36 HN LEU 36 -2.014 4.909 3.966 273 HA LEU 36 HA LEU 36 -2.932 7.634 3.336 274 1HB LEU 36 HB2 LEU 36 -2.596 5.100 1.761 275 2HB LEU 36 HB3 LEU 36 -3.164 6.547 0.995 276 HG LEU 36 HG LEU 36 -0.666 6.606 2.616 277 1HD1 LEU 36 HD13 LEU 36 -0.759 4.728 0.731 278 2HD1 LEU 36 HD11 LEU 36 -0.486 6.099 -0.346 279 3HD1 LEU 36 HD12 LEU 36 0.683 5.725 0.917 280 1HD2 LEU 36 HD22 LEU 36 -2.111 8.462 1.067 281 2HD2 LEU 36 HD23 LEU 36 -0.510 8.699 1.772 282 3HD2 LEU 36 HD21 LEU 36 -0.668 8.095 0.122 283 H CYS 37 HN CYS 37 -4.247 4.726 4.579 284 HA CYS 37 HA CYS 37 -6.882 5.637 4.705 285 1HB CYS 37 HB2 CYS 37 -7.185 5.638 2.363 286 2HB CYS 37 HB3 CYS 37 -6.259 4.150 2.153 No H/Q in entry = 286 Start of MODEL 15 1 1H VAL 1 HN VAL 1 -14.240 1.259 2.148 2 2H VAL 1 HN3 VAL 1 -15.018 -0.081 2.832 3 3H VAL 1 HN2 VAL 1 -15.517 1.490 3.247 4 HA VAL 1 HA VAL 1 -13.947 1.740 4.789 5 HB VAL 1 HB VAL 1 -13.256 -0.335 5.822 6 1HG1 VAL 1 HG13 VAL 1 -15.933 -0.466 4.423 7 2HG1 VAL 1 HG11 VAL 1 -15.433 -1.673 5.608 8 3HG1 VAL 1 HG12 VAL 1 -15.598 0.017 6.086 9 1HG2 VAL 1 HG22 VAL 1 -13.220 -1.217 3.035 10 2HG2 VAL 1 HG23 VAL 1 -12.390 -1.903 4.431 11 3HG2 VAL 1 HG21 VAL 1 -14.054 -2.366 4.079 12 H CYS 2 HN CYS 2 -11.589 1.655 5.336 13 HA CYS 2 HA CYS 2 -10.008 1.751 2.834 14 1HB CYS 2 HB2 CYS 2 -8.353 2.993 4.141 15 2HB CYS 2 HB3 CYS 2 -9.949 3.698 4.398 16 H ARG 3 HN ARG 3 -7.641 0.895 3.114 17 HA ARG 3 HA ARG 3 -6.537 -0.792 4.887 18 1HB ARG 3 HB2 ARG 3 -7.331 -3.111 4.159 19 2HB ARG 3 HB3 ARG 3 -8.460 -2.204 5.160 20 1HG ARG 3 HG2 ARG 3 -10.011 -2.172 3.528 21 2HG ARG 3 HG3 ARG 3 -8.839 -1.581 2.347 22 1HD ARG 3 HD2 ARG 3 -9.701 -3.764 1.640 23 2HD ARG 3 HD3 ARG 3 -7.992 -3.892 2.054 24 HE ARG 3 HE ARG 3 -8.710 -5.526 3.583 25 1HH1 ARG 3 HH22 ARG 3 -11.440 -3.728 2.760 26 2HH1 ARG 3 HH21 ARG 3 -12.274 -3.992 4.254 27 1HH2 ARG 3 HH12 ARG 3 -9.577 -5.539 5.791 28 2HH2 ARG 3 HH11 ARG 3 -11.219 -5.018 5.970 29 H ASP 4 HN ASP 4 -5.613 -2.996 3.435 30 HA ASP 4 HA ASP 4 -4.361 -1.581 1.157 31 1HB ASP 4 HB2 ASP 4 -2.521 -2.995 1.397 32 2HB ASP 4 HB3 ASP 4 -3.100 -2.929 3.063 33 H TRP 5 HN TRP 5 -3.630 -4.026 -0.355 34 HA TRP 5 HA TRP 5 -6.265 -5.237 -0.942 35 1HB TRP 5 HB2 TRP 5 -4.975 -3.122 -2.571 36 2HB TRP 5 HB3 TRP 5 -5.628 -4.490 -3.481 37 HD1 TRP 5 HD1 TRP 5 -6.741 -1.268 -2.319 38 HE1 TRP 5 HE1 TRP 5 -9.288 -1.185 -1.984 39 HE3 TRP 5 HE3 TRP 5 -7.792 -6.259 -2.364 40 HZ2 TRP 5 HZ2 TRP 5 -11.499 -3.002 -1.762 41 HZ3 TRP 5 HZ3 TRP 5 -10.120 -7.058 -2.089 42 HH2 TRP 5 HH2 TRP 5 -11.972 -5.441 -1.789 43 H PHE 6 HN PHE 6 -2.744 -4.930 -1.722 44 HA PHE 6 HA PHE 6 -2.648 -7.495 -3.151 45 1HB PHE 6 HB2 PHE 6 -0.574 -5.687 -1.887 46 2HB PHE 6 HB3 PHE 6 -0.191 -7.054 -2.935 47 HD1 PHE 6 HD1 PHE 6 -2.788 -6.325 -4.700 48 HD2 PHE 6 HD2 PHE 6 0.692 -4.237 -3.313 49 HE1 PHE 6 HE1 PHE 6 -2.945 -4.790 -6.616 50 HE2 PHE 6 HE2 PHE 6 0.567 -2.711 -5.190 51 HZ PHE 6 HZ PHE 6 -1.262 -2.970 -6.866 52 H LYS 7 HN LYS 7 -0.406 -8.616 -1.906 53 HA LYS 7 HA LYS 7 -1.464 -9.768 0.509 54 1HB LYS 7 HB2 LYS 7 1.204 -9.677 -0.858 55 2HB LYS 7 HB3 LYS 7 1.258 -9.973 0.881 56 1HG LYS 7 HG2 LYS 7 1.142 -12.118 -0.205 57 2HG LYS 7 HG3 LYS 7 -0.431 -11.818 0.534 58 1HD LYS 7 HD2 LYS 7 -1.160 -12.433 -1.554 59 2HD LYS 7 HD3 LYS 7 -0.900 -10.715 -1.867 60 1HE LYS 7 HE2 LYS 7 1.139 -11.089 -2.967 61 2HE LYS 7 HE3 LYS 7 1.342 -12.687 -2.248 62 1HZ LYS 7 HZ1 LYS 7 -0.998 -12.920 -3.576 63 2HZ LYS 7 HZ2 LYS 7 -0.105 -11.903 -4.607 64 3HZ LYS 7 HZ3 LYS 7 0.507 -13.427 -4.165 65 H GLU 8 HN GLU 8 -0.993 -8.993 2.743 66 HA GLU 8 HA GLU 8 -0.930 -6.157 3.071 67 1HB GLU 8 HB2 GLU 8 -1.466 -6.906 5.145 68 2HB GLU 8 HB3 GLU 8 -0.905 -8.526 4.707 69 1HG GLU 8 HG2 GLU 8 1.354 -8.011 5.311 70 2HG GLU 8 HG3 GLU 8 0.973 -6.301 5.533 71 H THR 9 HN THR 9 1.580 -8.392 2.428 72 HA THR 9 HA THR 9 3.652 -6.519 3.346 73 HB THR 9 HB THR 9 5.161 -8.437 2.662 74 HG1 THR 9 HG1 THR 9 3.454 -10.352 2.539 75 1HG2 THR 9 HG22 THR 9 3.117 -8.134 4.691 76 2HG2 THR 9 HG23 THR 9 3.523 -9.835 4.452 77 3HG2 THR 9 HG21 THR 9 4.789 -8.673 4.871 78 H ALA 10 HN ALA 10 2.145 -7.495 0.373 79 HA ALA 10 HA ALA 10 4.036 -6.570 -1.582 80 1HB ALA 10 HB2 ALA 10 1.008 -6.505 -1.395 81 2HB ALA 10 HB3 ALA 10 1.786 -5.607 -2.690 82 3HB ALA 10 HB1 ALA 10 1.986 -7.362 -2.588 83 H CYS 11 HN CYS 11 1.665 -5.067 0.437 84 HA CYS 11 HA CYS 11 2.209 -2.354 -0.321 85 1HB CYS 11 HB2 CYS 11 0.833 -3.720 2.038 86 2HB CYS 11 HB3 CYS 11 0.749 -1.962 1.749 87 H ARG 12 HN ARG 12 3.500 -4.474 2.270 88 HA ARG 12 HA ARG 12 5.031 -2.491 3.563 89 1HB ARG 12 HB2 ARG 12 4.929 -4.933 4.249 90 2HB ARG 12 HB3 ARG 12 6.066 -5.279 2.923 91 1HG ARG 12 HG2 ARG 12 7.214 -3.096 3.982 92 2HG ARG 12 HG3 ARG 12 6.532 -3.823 5.442 93 1HD ARG 12 HD2 ARG 12 7.867 -5.727 5.286 94 2HD ARG 12 HD3 ARG 12 8.019 -5.596 3.534 95 HE ARG 12 HE ARG 12 9.738 -3.900 3.859 96 1HH1 ARG 12 HH12 ARG 12 8.203 -4.030 6.812 97 2HH1 ARG 12 HH11 ARG 12 9.644 -4.118 7.769 98 1HH2 ARG 12 HH22 ARG 12 11.741 -4.590 5.049 99 2HH2 ARG 12 HH21 ARG 12 11.646 -4.436 6.772 100 H HIS 13 HN HIS 13 5.435 -4.018 0.409 101 HA HIS 13 HA HIS 13 8.151 -3.055 0.018 102 1HB HIS 13 HB2 HIS 13 7.495 -4.842 -1.474 103 2HB HIS 13 HB3 HIS 13 6.031 -3.967 -1.973 104 HD1 HIS 13 HD1 HIS 13 9.727 -4.063 -2.615 105 HD2 HIS 13 HD2 HIS 13 6.470 -1.645 -3.509 106 HE1 HIS 13 HE1 HIS 13 10.492 -2.462 -4.431 107 H ALA 14 HN ALA 14 4.916 -1.846 -0.732 108 HA ALA 14 HA ALA 14 5.966 0.580 -2.033 109 1HB ALA 14 HB1 ALA 14 3.447 -0.531 -1.822 110 2HB ALA 14 HB2 ALA 14 3.350 0.818 -0.692 111 3HB ALA 14 HB3 ALA 14 3.780 1.115 -2.387 112 H LYS 15 HN LYS 15 4.363 0.374 1.242 113 HA LYS 15 HA LYS 15 5.041 2.860 2.199 114 1HB LYS 15 HB2 LYS 15 3.868 1.601 3.681 115 2HB LYS 15 HB3 LYS 15 4.708 0.118 3.273 116 1HG LYS 15 HG2 LYS 15 5.261 0.793 5.543 117 2HG LYS 15 HG3 LYS 15 6.680 0.883 4.502 118 1HD LYS 15 HD2 LYS 15 6.072 3.369 4.184 119 2HD LYS 15 HD3 LYS 15 5.002 3.156 5.571 120 1HE LYS 15 HE2 LYS 15 7.835 2.212 5.793 121 2HE LYS 15 HE3 LYS 15 7.502 3.938 5.935 122 1HZ LYS 15 HZ1 LYS 15 5.938 1.960 7.471 123 2HZ LYS 15 HZ2 LYS 15 7.443 2.513 8.039 124 3HZ LYS 15 HZ3 LYS 15 6.167 3.608 7.787 125 H SER 16 HN SER 16 7.230 -0.034 1.813 126 HA SER 16 HA SER 16 9.488 1.161 3.167 127 1HB SER 16 HB2 SER 16 9.089 -1.245 1.448 128 2HB SER 16 HB3 SER 16 10.644 -0.807 2.133 129 HG SER 16 HG SER 16 8.512 -0.722 3.896 130 H LEU 17 HN LEU 17 8.534 1.087 -0.268 131 HA LEU 17 HA LEU 17 11.255 1.850 -1.048 132 1HB LEU 17 HB2 LEU 17 10.627 1.179 -3.162 133 2HB LEU 17 HB3 LEU 17 9.442 0.308 -2.196 134 HG LEU 17 HG LEU 17 7.886 2.216 -2.525 135 1HD1 LEU 17 HD12 LEU 17 10.157 3.467 -3.623 136 2HD1 LEU 17 HD13 LEU 17 9.100 3.126 -5.002 137 3HD1 LEU 17 HD11 LEU 17 8.501 4.077 -3.642 138 1HD2 LEU 17 HD22 LEU 17 8.934 0.548 -4.800 139 2HD2 LEU 17 HD23 LEU 17 7.566 0.234 -3.736 140 3HD2 LEU 17 HD21 LEU 17 7.452 1.497 -4.962 141 H GLY 18 HN GLY 18 8.093 3.434 -0.940 142 1HA GLY 18 HA1 GLY 18 8.393 5.880 -0.162 143 2HA GLY 18 HA2 GLY 18 9.516 6.001 -1.510 144 H ASN 19 HN ASN 19 7.045 4.003 -2.426 145 HA ASN 19 HA ASN 19 5.969 5.584 -4.505 146 1HB ASN 19 HB2 ASN 19 3.706 4.126 -3.293 147 2HB ASN 19 HB3 ASN 19 4.523 3.816 -4.755 148 1HD2 ASN 19 HD22 ASN 19 5.830 0.899 -3.830 149 2HD2 ASN 19 HD21 ASN 19 5.229 1.955 -4.997 150 H CYS 20 HN CYS 20 4.584 4.811 -1.403 151 HA CYS 20 HA CYS 20 2.691 5.862 -0.504 152 1HB CYS 20 HB2 CYS 20 5.077 6.270 0.745 153 2HB CYS 20 HB3 CYS 20 4.329 7.911 0.728 154 H ARG 21 HN ARG 21 1.525 6.546 -2.011 155 HA ARG 21 HA ARG 21 -0.079 8.151 -2.808 156 1HB ARG 21 HB2 ARG 21 1.393 9.531 -0.896 157 2HB ARG 21 HB3 ARG 21 1.328 10.559 -2.344 158 1HG ARG 21 HG2 ARG 21 -1.201 9.204 -1.739 159 2HG ARG 21 HG3 ARG 21 -0.706 10.323 -0.470 160 1HD ARG 21 HD2 ARG 21 -0.229 11.617 -2.963 161 2HD ARG 21 HD3 ARG 21 -1.860 10.947 -3.020 162 HE ARG 21 HE ARG 21 -1.127 12.474 -0.592 163 1HH1 ARG 21 HH22 ARG 21 -3.815 12.438 -0.515 164 2HH1 ARG 21 HH21 ARG 21 -4.407 13.686 -1.560 165 1HH2 ARG 21 HH12 ARG 21 -1.422 14.017 -3.293 166 2HH2 ARG 21 HH11 ARG 21 -3.053 14.580 -3.133 167 H THR 22 HN THR 22 2.698 7.455 -3.977 168 HA THR 22 HA THR 22 2.648 9.394 -6.256 169 HB THR 22 HB THR 22 4.984 8.978 -6.606 170 HG1 THR 22 HG1 THR 22 5.533 6.986 -6.267 171 1HG2 THR 22 HG23 THR 22 4.067 9.527 -3.845 172 2HG2 THR 22 HG21 THR 22 5.775 9.124 -4.026 173 3HG2 THR 22 HG22 THR 22 5.093 10.490 -4.909 174 H SER 23 HN SER 23 1.423 6.495 -5.512 175 HA SER 23 HA SER 23 1.652 5.550 -8.313 176 1HB SER 23 HB2 SER 23 2.451 4.059 -5.807 177 2HB SER 23 HB3 SER 23 1.688 3.153 -7.106 178 HG SER 23 HG SER 23 3.315 4.077 -8.497 179 H GLN 24 HN GLN 24 -0.407 4.675 -8.997 180 HA GLN 24 HA GLN 24 -2.618 5.505 -7.371 181 1HB GLN 24 HB2 GLN 24 -2.498 3.654 -9.766 182 2HB GLN 24 HB3 GLN 24 -4.010 4.144 -9.002 183 1HG GLN 24 HG2 GLN 24 -3.804 6.353 -9.673 184 2HG GLN 24 HG3 GLN 24 -2.046 6.263 -9.788 185 1HE2 GLN 24 HE22 GLN 24 -3.605 6.175 -13.243 186 2HE2 GLN 24 HE21 GLN 24 -3.809 7.229 -11.928 187 H LYS 25 HN LYS 25 -2.201 2.087 -8.387 188 HA LYS 25 HA LYS 25 -3.716 0.975 -6.349 189 1HB LYS 25 HB2 LYS 25 -2.231 -0.091 -8.324 190 2HB LYS 25 HB3 LYS 25 -1.172 -0.451 -6.952 191 1HG LYS 25 HG2 LYS 25 -2.701 -1.834 -5.932 192 2HG LYS 25 HG3 LYS 25 -4.073 -0.945 -6.578 193 1HD LYS 25 HD2 LYS 25 -2.292 -2.586 -8.380 194 2HD LYS 25 HD3 LYS 25 -3.671 -3.295 -7.532 195 1HE LYS 25 HE2 LYS 25 -4.775 -2.654 -9.435 196 2HE LYS 25 HE3 LYS 25 -4.884 -1.127 -8.560 197 1HZ LYS 25 HZ3 LYS 25 -2.440 -1.516 -10.063 198 2HZ LYS 25 HZ1 LYS 25 -3.839 -1.386 -11.008 199 3HZ LYS 25 HZ2 LYS 25 -3.431 -0.141 -9.926 200 H TYR 26 HN TYR 26 -0.153 0.993 -6.154 201 HA TYR 26 HA TYR 26 0.316 0.382 -3.563 202 1HB TYR 26 HB2 TYR 26 1.548 2.510 -5.253 203 2HB TYR 26 HB3 TYR 26 2.139 2.183 -3.626 204 HD1 TYR 26 HD1 TYR 26 1.335 -1.018 -3.930 205 HD2 TYR 26 HD2 TYR 26 3.661 1.830 -6.190 206 HE1 TYR 26 HE1 TYR 26 2.607 -2.778 -4.794 207 HE2 TYR 26 HE2 TYR 26 5.002 -0.013 -7.095 208 HH TYR 26 HH TYR 26 4.581 -2.592 -7.483 209 H ARG 27 HN ARG 27 -0.378 3.855 -4.420 210 HA ARG 27 HA ARG 27 -0.374 4.682 -1.767 211 1HB ARG 27 HB2 ARG 27 -1.227 6.710 -2.500 212 2HB ARG 27 HB3 ARG 27 -0.738 6.018 -4.049 213 1HG ARG 27 HG2 ARG 27 -2.974 5.223 -4.455 214 2HG ARG 27 HG3 ARG 27 -3.512 5.804 -2.861 215 1HD ARG 27 HD2 ARG 27 -2.558 7.455 -5.213 216 2HD ARG 27 HD3 ARG 27 -4.167 7.463 -4.487 217 HE ARG 27 HE ARG 27 -1.821 8.867 -3.469 218 1HH1 ARG 27 HH22 ARG 27 -3.148 6.925 -1.404 219 2HH1 ARG 27 HH21 ARG 27 -4.160 8.046 -0.557 220 1HH2 ARG 27 HH12 ARG 27 -3.859 10.535 -2.952 221 2HH2 ARG 27 HH11 ARG 27 -4.562 10.090 -1.433 222 H ALA 28 HN ALA 28 -3.178 3.543 -3.655 223 HA ALA 28 HA ALA 28 -4.912 3.545 -1.289 224 1HB ALA 28 HB2 ALA 28 -5.309 3.490 -4.081 225 2HB ALA 28 HB3 ALA 28 -5.906 1.939 -3.490 226 3HB ALA 28 HB1 ALA 28 -6.557 3.442 -2.836 227 H ASN 29 HN ASN 29 -4.355 0.865 -3.539 228 HA ASN 29 HA ASN 29 -4.917 -1.320 -2.035 229 1HB ASN 29 HB2 ASN 29 -2.731 -0.855 -4.038 230 2HB ASN 29 HB3 ASN 29 -2.900 -2.426 -3.256 231 1HD2 ASN 29 HD22 ASN 29 -6.365 -1.377 -5.142 232 2HD2 ASN 29 HD21 ASN 29 -5.714 -0.356 -3.951 233 H CYS 30 HN CYS 30 -2.150 0.752 -1.393 234 HA CYS 30 HA CYS 30 -1.477 -1.073 0.880 235 1HB CYS 30 HB2 CYS 30 0.407 0.568 -0.879 236 2HB CYS 30 HB3 CYS 30 0.893 -0.493 0.465 237 H ALA 31 HN ALA 31 -3.354 0.540 1.318 238 HA ALA 31 HA ALA 31 -2.469 3.175 2.248 239 1HB ALA 31 HB3 ALA 31 -4.893 2.017 1.392 240 2HB ALA 31 HB1 ALA 31 -5.131 2.397 3.093 241 3HB ALA 31 HB2 ALA 31 -4.666 3.667 1.964 242 H LYS 32 HN LYS 32 -2.558 -0.001 3.459 243 HA LYS 32 HA LYS 32 -3.146 0.692 6.275 244 1HB LYS 32 HB2 LYS 32 -3.634 -1.510 6.338 245 2HB LYS 32 HB3 LYS 32 -3.063 -1.690 4.678 246 1HG LYS 32 HG2 LYS 32 -0.770 -1.951 5.454 247 2HG LYS 32 HG3 LYS 32 -1.286 -1.751 7.135 248 1HD LYS 32 HD2 LYS 32 -1.753 -3.950 7.243 249 2HD LYS 32 HD3 LYS 32 -2.791 -3.849 5.807 250 1HE LYS 32 HE2 LYS 32 0.190 -3.739 5.524 251 2HE LYS 32 HE3 LYS 32 -0.612 -5.305 5.608 252 1HZ LYS 32 HZ1 LYS 32 -1.362 -3.140 3.723 253 2HZ LYS 32 HZ2 LYS 32 -0.315 -4.418 3.333 254 3HZ LYS 32 HZ3 LYS 32 -1.942 -4.730 3.729 255 H THR 33 HN THR 33 -0.581 -0.095 4.145 256 HA THR 33 HA THR 33 1.683 -0.230 6.029 257 HB THR 33 HB THR 33 1.672 -0.220 3.059 258 HG1 THR 33 HG1 THR 33 1.191 -2.594 4.372 259 1HG2 THR 33 HG21 THR 33 3.676 -0.656 4.839 260 2HG2 THR 33 HG22 THR 33 3.042 -2.298 4.635 261 3HG2 THR 33 HG23 THR 33 3.579 -1.373 3.229 262 H CYS 34 HN CYS 34 0.521 1.920 3.476 263 HA CYS 34 HA CYS 34 2.853 3.804 3.751 264 1HB CYS 34 HB2 CYS 34 1.342 2.658 1.742 265 2HB CYS 34 HB3 CYS 34 0.703 4.313 1.857 266 H GLU 35 HN GLU 35 -0.301 3.324 5.017 267 HA GLU 35 HA GLU 35 -1.688 4.616 6.271 268 1HB GLU 35 HB2 GLU 35 0.787 6.342 6.363 269 2HB GLU 35 HB3 GLU 35 -0.649 6.609 7.394 270 1HG GLU 35 HG2 GLU 35 -0.633 4.295 8.103 271 2HG GLU 35 HG3 GLU 35 0.790 3.972 7.121 272 H LEU 36 HN LEU 36 -2.500 4.556 4.148 273 HA LEU 36 HA LEU 36 -3.396 7.216 3.146 274 1HB LEU 36 HB2 LEU 36 -3.243 4.752 1.456 275 2HB LEU 36 HB3 LEU 36 -3.188 6.403 0.908 276 HG LEU 36 HG LEU 36 -1.029 4.935 2.421 277 1HD1 LEU 36 HD11 LEU 36 -1.393 5.961 -0.378 278 2HD1 LEU 36 HD12 LEU 36 0.227 5.948 0.310 279 3HD1 LEU 36 HD13 LEU 36 -0.680 4.444 0.166 280 1HD2 LEU 36 HD21 LEU 36 -1.694 7.699 2.532 281 2HD2 LEU 36 HD22 LEU 36 -0.253 6.912 3.178 282 3HD2 LEU 36 HD23 LEU 36 -0.246 7.557 1.537 283 H CYS 37 HN CYS 37 -4.237 4.400 4.816 284 HA CYS 37 HA CYS 37 -6.719 3.721 3.573 285 1HB CYS 37 HB2 CYS 37 -6.544 2.143 5.173 286 2HB CYS 37 HB3 CYS 37 -5.311 3.080 6.018 No H/Q in entry = 286
Contact the webmaster for help, if required. Sunday, June 16, 2024 1:51:30 PM GMT (wattos1)