NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
576490 | 2ru7 | 11489 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H5' G 1 H5' G 1 -8.846 0.014 -7.573 2 H5'' G 1 H5'' G 1 -9.291 -0.242 -5.882 3 H4' G 1 H4' G 1 -9.040 2.333 -5.628 4 H3' G 1 H3' G 1 -8.161 2.044 -8.423 5 H2' G 1 H2' G 1 -5.992 1.563 -7.721 6 HO2' G 1 HO2' G 1 -6.376 4.334 -7.758 7 H1' G 1 H1' G 1 -6.661 3.221 -5.256 8 H8 G 1 H8 G 1 -3.644 2.216 -6.832 9 H1 G 1 H1 G 1 -3.343 1.268 -0.476 10 H21 G 1 H21 G 1 -5.444 1.361 0.363 11 H22 G 1 H22 G 1 -6.804 1.564 -0.698 12 HO5' G 1 HO5' G 1 -10.649 1.655 -7.534 13 H5' G 2 H5' G 2 -10.784 6.224 -5.452 14 H5'' G 2 H5'' G 2 -9.061 5.820 -5.552 15 H4' G 2 H4' G 2 -10.894 4.393 -3.595 16 H3' G 2 H3' G 2 -10.675 7.091 -3.353 17 H2' G 2 H2' G 2 -8.259 6.954 -3.796 18 HO2' G 2 HO2' G 2 -8.717 7.354 -1.032 19 H1' G 2 H1' G 2 -8.334 4.904 -1.546 20 H8 G 2 H8 G 2 -6.369 5.649 -4.804 21 H1 G 2 H1 G 2 -2.831 4.295 0.409 22 H21 G 2 H21 G 2 -4.153 4.576 2.190 23 H22 G 2 H22 G 2 -5.859 4.882 1.949 24 H5' A 3 H5' A 3 -10.832 5.503 2.111 25 H5'' A 3 H5'' A 3 -10.598 4.434 0.720 26 H4' A 3 H4' A 3 -13.248 4.584 2.195 27 H3' A 3 H3' A 3 -10.782 3.359 3.186 28 H2' A 3 H2' A 3 -11.209 1.118 2.925 29 HO2' A 3 HO2' A 3 -13.404 1.575 4.046 30 H1' A 3 H1' A 3 -12.938 1.029 0.814 31 H8 A 3 H8 A 3 -9.393 2.396 1.586 32 H61 A 3 H61 A 3 -8.199 -0.031 -4.046 33 H62 A 3 H62 A 3 -7.383 0.702 -2.695 34 H2 A 3 H2 A 3 -12.354 -0.566 -3.318 35 H5' G 4 H5' G 4 -9.330 5.345 6.007 36 H5'' G 4 H5'' G 4 -9.260 4.317 4.567 37 H4' G 4 H4' G 4 -8.757 3.101 7.294 38 H3' G 4 H3' G 4 -6.823 4.750 5.655 39 H2' G 4 H2' G 4 -5.101 3.354 6.519 40 HO2' G 4 HO2' G 4 -5.453 1.817 8.142 41 H1' G 4 H1' G 4 -6.625 0.986 6.304 42 H8 G 4 H8 G 4 -7.516 1.607 3.097 43 H1 G 4 H1 G 4 -1.083 1.820 3.142 44 H21 G 4 H21 G 4 -0.375 1.880 5.294 45 H22 G 4 H22 G 4 -1.553 1.887 6.601 46 H5' G 5 H5' G 5 -4.751 4.308 9.223 47 H5'' G 5 H5'' G 5 -4.532 5.878 9.992 48 H4' G 5 H4' G 5 -2.483 4.446 9.919 49 H3' G 5 H3' G 5 -2.509 7.176 9.754 50 H2' G 5 H2' G 5 -2.835 7.138 7.343 51 HO2' G 5 HO2' G 5 -0.033 7.435 7.740 52 H1' G 5 H1' G 5 -0.498 5.194 7.309 53 H8 G 5 H8 G 5 -3.962 5.499 5.587 54 H1 G 5 H1 G 5 1.165 4.919 1.725 55 H21 G 5 H21 G 5 2.983 5.216 2.955 56 H22 G 5 H22 G 5 2.883 5.231 4.686 57 H5' A 6 H5' A 6 -0.061 3.420 9.673 58 H5'' A 6 H5'' A 6 -0.772 3.093 11.261 59 H4' A 6 H4' A 6 1.714 2.512 11.948 60 H3' A 6 H3' A 6 2.416 3.006 9.355 61 H2' A 6 H2' A 6 0.694 1.597 8.453 62 HO2' A 6 HO2' A 6 1.819 -0.233 7.553 63 H1' A 6 H1' A 6 1.634 -0.544 10.374 64 H8 A 6 H8 A 6 0.236 -2.640 9.871 65 H61 A 6 H61 A 6 -5.754 -0.973 8.942 66 H62 A 6 H62 A 6 -4.769 -2.420 9.208 67 H2 A 6 H2 A 6 -3.420 2.500 8.533 68 H5' G 7 H5' G 7 5.771 0.945 8.603 69 H5'' G 7 H5'' G 7 7.132 1.880 9.229 70 H4' G 7 H4' G 7 7.577 2.173 7.029 71 H3' G 7 H3' G 7 6.419 4.515 7.960 72 H2' G 7 H2' G 7 4.218 3.627 7.346 73 HO2' G 7 HO2' G 7 3.826 5.586 6.596 74 H1' G 7 H1' G 7 5.627 3.117 4.723 75 H8 G 7 H8 G 7 2.380 2.331 6.685 76 H1 G 7 H1 G 7 2.153 1.850 0.273 77 H21 G 7 H21 G 7 4.273 1.987 -0.520 78 H22 G 7 H22 G 7 5.612 2.152 0.599 79 H5' G 8 H5' G 8 9.491 3.628 4.154 80 H5'' G 8 H5'' G 8 11.009 4.434 4.555 81 H4' G 8 H4' G 8 10.893 4.539 2.221 82 H3' G 8 H3' G 8 10.891 7.029 3.433 83 H2' G 8 H2' G 8 8.462 7.101 3.476 84 HO2' G 8 HO2' G 8 7.819 8.663 1.899 85 H1' G 8 H1' G 8 8.662 6.230 0.569 86 H8 G 8 H8 G 8 6.305 6.376 3.671 87 H1 G 8 H1 G 8 3.396 5.038 -1.881 88 H21 G 8 H21 G 8 4.920 5.382 -3.551 89 H22 G 8 H22 G 8 6.618 5.676 -3.131 90 H5' A 9 H5' A 9 11.857 6.587 -2.401 91 H5'' A 9 H5'' A 9 10.686 6.476 -1.098 92 H4' A 9 H4' A 9 12.847 4.379 -1.603 93 H3' A 9 H3' A 9 9.967 4.458 -2.582 94 H2' A 9 H2' A 9 10.037 2.082 -2.510 95 HO2' A 9 HO2' A 9 12.047 1.793 -3.558 96 H1' A 9 H1' A 9 11.790 2.046 -0.262 97 H8 A 9 H8 A 9 8.142 2.936 -1.267 98 H61 A 9 H61 A 9 6.923 0.860 4.519 99 H62 A 9 H62 A 9 6.101 1.371 3.049 100 H2 A 9 H2 A 9 11.136 0.615 3.956 101 H5' G 10 H5' G 10 7.567 4.039 -4.346 102 H5'' G 10 H5'' G 10 8.636 2.650 -4.164 103 H4' G 10 H4' G 10 8.398 2.442 -6.772 104 H3' G 10 H3' G 10 6.359 4.495 -6.134 105 H2' G 10 H2' G 10 4.474 3.334 -6.914 106 HO2' G 10 HO2' G 10 6.104 2.562 -8.812 107 H1' G 10 H1' G 10 5.136 0.767 -6.300 108 H8 G 10 H8 G 10 6.401 2.038 -3.197 109 H1 G 10 H1 G 10 -0.013 1.603 -3.299 110 H21 G 10 H21 G 10 -0.730 1.720 -5.440 111 H22 G 10 H22 G 10 0.459 1.880 -6.730 112 H5' G 11 H5' G 11 4.897 3.972 -10.016 113 H5'' G 11 H5'' G 11 5.319 5.412 -10.956 114 H4' G 11 H4' G 11 2.917 4.948 -11.117 115 H3' G 11 H3' G 11 3.913 7.430 -10.731 116 H2' G 11 H2' G 11 3.829 7.399 -8.364 117 HO2' G 11 HO2' G 11 2.168 9.031 -9.386 118 H1' G 11 H1' G 11 1.091 6.152 -8.401 119 H8 G 11 H8 G 11 4.538 6.123 -6.582 120 H1 G 11 H1 G 11 -0.682 4.586 -3.112 121 H21 G 11 H21 G 11 -2.490 4.626 -4.515 122 H22 G 11 H22 G 11 -2.209 4.847 -6.237 123 H5' A 12 H5' A 12 -0.907 7.290 -12.491 124 H5'' A 12 H5'' A 12 -1.980 8.358 -11.600 125 H4' A 12 H4' A 12 -0.377 6.002 -10.593 126 H3' A 12 H3' A 12 -3.248 6.875 -10.626 127 HO3' A 12 HO3' A 12 -1.866 4.369 -10.717 128 H2' A 12 H2' A 12 -3.729 6.158 -8.455 129 HO2' A 12 HO2' A 12 -1.243 4.753 -8.500 130 H1' A 12 H1' A 12 -1.349 6.778 -7.234 131 H8 A 12 H8 A 12 -2.460 9.347 -9.770 132 H61 A 12 H61 A 12 -4.948 12.078 -4.672 133 H62 A 12 H62 A 12 -4.675 12.339 -6.392 134 H2 A 12 H2 A 12 -3.412 8.208 -3.528 135 H5' G 13 H5' G 13 -9.340 -0.285 7.367 136 H5'' G 13 H5'' G 13 -9.725 0.364 5.769 137 H4' G 13 H4' G 13 -9.702 -2.128 4.980 138 H3' G 13 H3' G 13 -8.903 -2.546 7.757 139 H2' G 13 H2' G 13 -6.701 -1.971 7.263 140 HO2' G 13 HO2' G 13 -7.140 -4.663 6.799 141 H1' G 13 H1' G 13 -7.269 -3.033 4.476 142 H8 G 13 H8 G 13 -4.444 -1.990 6.605 143 H1 G 13 H1 G 13 -3.299 -1.510 0.303 144 H21 G 13 H21 G 13 -5.266 -1.719 -0.797 145 H22 G 13 H22 G 13 -6.746 -1.927 0.094 146 HO5' G 13 HO5' G 13 -11.289 -1.758 6.832 147 H5' G 14 H5' G 14 -11.222 -6.786 4.557 148 H5'' G 14 H5'' G 14 -9.544 -6.217 4.618 149 H4' G 14 H4' G 14 -11.524 -5.290 2.504 150 H3' G 14 H3' G 14 -10.660 -7.895 2.588 151 H2' G 14 H2' G 14 -8.364 -7.315 2.820 152 HO2' G 14 HO2' G 14 -7.420 -7.287 0.501 153 H1' G 14 H1' G 14 -8.756 -5.270 0.621 154 H8 G 14 H8 G 14 -7.067 -5.285 4.148 155 H1 G 14 H1 G 14 -3.163 -4.510 -0.934 156 H21 G 14 H21 G 14 -4.339 -5.092 -2.788 157 H22 G 14 H22 G 14 -6.009 -5.605 -2.589 158 H5' A 15 H5' A 15 -9.145 -7.045 -2.744 159 H5'' A 15 H5'' A 15 -9.429 -6.187 -1.237 160 H4' A 15 H4' A 15 -11.752 -6.780 -3.081 161 H3' A 15 H3' A 15 -9.450 -5.016 -3.638 162 H2' A 15 H2' A 15 -10.592 -2.990 -3.835 163 HO2' A 15 HO2' A 15 -12.241 -3.741 -5.256 164 H1' A 15 H1' A 15 -12.496 -3.313 -1.917 165 H8 A 15 H8 A 15 -8.669 -3.371 -2.312 166 H61 A 15 H61 A 15 -8.848 -0.695 3.333 167 H62 A 15 H62 A 15 -7.737 -1.101 2.048 168 H2 A 15 H2 A 15 -12.831 -1.905 2.395 169 H5' G 16 H5' G 16 -7.016 -4.280 -5.071 170 H5'' G 16 H5'' G 16 -8.561 -3.432 -5.029 171 H4' G 16 H4' G 16 -8.199 -3.039 -7.582 172 H3' G 16 H3' G 16 -5.676 -4.295 -6.767 173 H2' G 16 H2' G 16 -4.194 -2.592 -7.225 174 HO2' G 16 HO2' G 16 -4.571 -0.839 -8.519 175 H1' G 16 H1' G 16 -5.652 -0.427 -6.479 176 H8 G 16 H8 G 16 -7.002 -1.986 -3.715 177 H1 G 16 H1 G 16 -0.624 -1.691 -2.980 178 H21 G 16 H21 G 16 0.326 -1.388 -5.009 179 H22 G 16 H22 G 16 -0.687 -1.195 -6.431 180 H5' G 17 H5' G 17 -4.052 -3.097 -9.883 181 H5'' G 17 H5'' G 17 -3.268 -3.698 -11.312 182 H4' G 17 H4' G 17 -1.533 -3.334 -9.898 183 H3' G 17 H3' G 17 -2.001 -6.158 -10.351 184 H2' G 17 H2' G 17 -2.350 -6.525 -8.079 185 HO2' G 17 HO2' G 17 -0.372 -7.167 -7.049 186 H1' G 17 H1' G 17 -0.375 -4.269 -7.567 187 H8 G 17 H8 G 17 -3.872 -5.074 -6.114 188 H1 G 17 H1 G 17 0.909 -4.927 -1.817 189 H21 G 17 H21 G 17 2.867 -4.866 -2.934 190 H22 G 17 H22 G 17 2.887 -4.630 -4.651 191 H5' A 18 H5' A 18 1.832 -3.513 -9.555 192 H5'' A 18 H5'' A 18 0.599 -2.475 -10.279 193 H4' A 18 H4' A 18 3.294 -2.190 -11.499 194 H3' A 18 H3' A 18 3.548 -2.367 -8.786 195 H2' A 18 H2' A 18 1.648 -0.976 -8.370 196 HO2' A 18 HO2' A 18 3.961 0.714 -8.252 197 H1' A 18 H1' A 18 2.901 0.974 -10.323 198 H8 A 18 H8 A 18 1.506 3.033 -10.660 199 H61 A 18 H61 A 18 -4.467 2.253 -9.023 200 H62 A 18 H62 A 18 -3.324 3.403 -9.666 201 H2 A 18 H2 A 18 -2.400 -1.441 -8.148 202 H5' G 19 H5' G 19 6.778 -0.375 -7.559 203 H5'' G 19 H5'' G 19 8.170 -1.344 -8.047 204 H4' G 19 H4' G 19 8.354 -1.688 -5.822 205 H3' G 19 H3' G 19 7.243 -3.966 -6.979 206 H2' G 19 H2' G 19 5.026 -3.071 -6.514 207 HO2' G 19 HO2' G 19 4.791 -5.182 -5.914 208 H1' G 19 H1' G 19 6.181 -2.668 -3.744 209 H8 G 19 H8 G 19 3.224 -1.625 -6.055 210 H1 G 19 H1 G 19 2.153 -1.410 0.305 211 H21 G 19 H21 G 19 4.106 -1.480 1.367 212 H22 G 19 H22 G 19 5.588 -1.700 0.462 213 H5' G 20 H5' G 20 9.968 -3.229 -3.027 214 H5'' G 20 H5'' G 20 11.493 -4.117 -2.991 215 H4' G 20 H4' G 20 10.745 -4.277 -0.783 216 H3' G 20 H3' G 20 10.774 -6.740 -2.079 217 H2' G 20 H2' G 20 8.426 -6.427 -2.706 218 HO2' G 20 HO2' G 20 8.659 -8.534 -1.861 219 H1' G 20 H1' G 20 8.170 -5.685 0.233 220 H8 G 20 H8 G 20 6.289 -5.802 -3.150 221 H1 G 20 H1 G 20 2.652 -4.547 1.993 222 H21 G 20 H21 G 20 3.984 -4.500 3.816 223 H22 G 20 H22 G 20 5.745 -4.565 3.609 224 H5' A 21 H5' A 21 10.638 -6.750 3.855 225 H5'' A 21 H5'' A 21 9.729 -6.377 2.398 226 H4' A 21 H4' A 21 12.054 -4.674 3.407 227 H3' A 21 H3' A 21 9.075 -4.403 3.951 228 H2' A 21 H2' A 21 9.448 -2.060 4.097 229 HO2' A 21 HO2' A 21 11.294 -2.116 5.444 230 H1' A 21 H1' A 21 11.510 -2.096 2.123 231 H8 A 21 H8 A 21 7.697 -2.448 2.618 232 H61 A 21 H61 A 21 7.470 -0.442 -3.306 233 H62 A 21 H62 A 21 6.423 -0.843 -1.949 234 H2 A 21 H2 A 21 11.582 -0.721 -2.232 235 H5' G 22 H5' G 22 6.327 -3.994 5.804 236 H5'' G 22 H5'' G 22 7.577 -2.782 5.530 237 H4' G 22 H4' G 22 7.511 -2.475 8.146 238 H3' G 22 H3' G 22 5.712 -4.502 8.227 239 H2' G 22 H2' G 22 4.262 -3.664 6.596 240 HO2' G 22 HO2' G 22 2.431 -2.591 7.549 241 H1' G 22 H1' G 22 4.245 -0.864 7.634 242 H8 G 22 H8 G 22 5.920 -1.263 4.370 243 H1 G 22 H1 G 22 -0.448 -1.391 3.566 244 H21 G 22 H21 G 22 -1.452 -1.648 5.550 245 H22 G 22 H22 G 22 -0.483 -1.881 6.994 246 H5' G 23 H5' G 23 2.483 -3.532 10.774 247 H5'' G 23 H5'' G 23 2.694 -4.700 12.078 248 H4' G 23 H4' G 23 0.674 -5.253 11.090 249 H3' G 23 H3' G 23 2.666 -7.232 10.926 250 H2' G 23 H2' G 23 3.036 -6.884 8.639 251 HO2' G 23 HO2' G 23 0.925 -8.764 8.941 252 H1' G 23 H1' G 23 0.036 -6.462 8.291 253 H8 G 23 H8 G 23 3.526 -5.933 6.763 254 H1 G 23 H1 G 23 -1.422 -4.245 2.993 255 H21 G 23 H21 G 23 -3.347 -4.666 4.106 256 H22 G 23 H22 G 23 -3.259 -5.372 5.707 257 H5' A 24 H5' A 24 -0.590 -5.430 12.768 258 H5'' A 24 H5'' A 24 -2.131 -5.847 13.481 259 H4' A 24 H4' A 24 -2.213 -4.362 11.467 260 H3' A 24 H3' A 24 -3.804 -6.940 11.455 261 HO3' A 24 HO3' A 24 -4.790 -4.310 11.713 262 H2' A 24 H2' A 24 -4.858 -6.051 9.441 263 HO2' A 24 HO2' A 24 -3.204 -3.746 9.683 264 H1' A 24 H1' A 24 -2.492 -5.333 8.265 265 H8 A 24 H8 A 24 -1.974 -8.424 10.373 266 H61 A 24 H61 A 24 -4.893 -11.446 5.702 267 H62 A 24 H62 A 24 -4.058 -11.720 7.230 268 H2 A 24 H2 A 24 -4.953 -7.242 4.794 269 H1 GLY 25 H1 GLY 25 -9.048 9.944 1.520 270 H2 GLY 25 H2 GLY 25 -8.657 8.452 0.979 271 H3 GLY 25 H3 GLY 25 -7.607 9.705 0.771 272 HA2 GLY 25 HA3 GLY 25 -7.335 9.905 3.186 273 HA3 GLY 25 HA2 GLY 25 -8.396 8.494 3.347 274 H GLN 26 H GLN 26 -5.268 9.630 2.070 275 HA GLN 26 HA GLN 26 -4.171 6.887 2.128 276 HB2 GLN 26 HB3 GLN 26 -3.397 7.148 -0.086 277 HB3 GLN 26 HB2 GLN 26 -5.096 7.522 -0.117 278 HG2 GLN 26 HG3 GLN 26 -2.956 9.703 -0.079 279 HG3 GLN 26 HG2 GLN 26 -3.471 8.901 -1.528 280 HE21 GLN 26 HE21 GLN 26 -4.428 10.626 -2.614 281 HE22 GLN 26 HE22 GLN 26 -5.783 11.519 -1.925 282 H TRP 27 H TRP 27 -1.750 7.480 1.030 283 HA TRP 27 HA TRP 27 0.008 8.685 2.905 284 HB2 TRP 27 HB3 TRP 27 1.570 8.532 0.985 285 HB3 TRP 27 HB2 TRP 27 0.681 7.074 1.238 286 HD1 TRP 27 HD1 TRP 27 -1.285 6.461 -0.581 287 HE1 TRP 27 HE1 TRP 27 -1.403 6.928 -3.081 288 HE3 TRP 27 HE3 TRP 27 2.161 10.186 -0.823 289 HZ2 TRP 27 HZ2 TRP 27 0.193 8.372 -5.025 290 HZ3 TRP 27 HZ3 TRP 27 2.858 11.088 -2.998 291 HH2 TRP 27 HH2 TRP 27 2.020 10.086 -5.115 292 H ASN 28 H ASN 28 1.575 10.445 1.506 293 HA ASN 28 HA ASN 28 0.315 12.895 2.159 294 HB2 ASN 28 HB3 ASN 28 2.529 13.871 1.654 295 HB3 ASN 28 HB2 ASN 28 2.608 12.449 2.684 296 HD21 ASN 28 HD21 ASN 28 2.699 13.254 -0.808 297 HD22 ASN 28 HD22 ASN 28 3.952 12.061 -1.187 298 H LYS 29 H LYS 29 -1.232 11.952 0.008 299 HA LYS 29 HA LYS 29 -2.291 12.691 -1.910 300 HB2 LYS 29 HB3 LYS 29 -1.928 15.218 -0.259 301 HB3 LYS 29 HB2 LYS 29 -3.039 15.045 -1.615 302 HG2 LYS 29 HG3 LYS 29 -4.480 14.586 0.089 303 HG3 LYS 29 HG2 LYS 29 -3.960 12.965 -0.346 304 HD2 LYS 29 HD3 LYS 29 -2.174 13.325 1.580 305 HD3 LYS 29 HD2 LYS 29 -3.230 14.634 2.084 306 HE2 LYS 29 HE3 LYS 29 -5.071 13.136 2.449 307 HE3 LYS 29 HE2 LYS 29 -4.286 11.839 1.530 308 HZ1 LYS 29 HZ1 LYS 29 -3.205 12.868 4.094 309 HZ2 LYS 29 HZ2 LYS 29 -2.665 11.573 3.227 310 HZ3 LYS 29 HZ3 LYS 29 -4.110 11.513 3.966 311 HA PRO 30 HA PRO 30 1.512 12.459 -4.425 312 HB2 PRO 30 HB3 PRO 30 -0.342 14.296 -5.930 313 HB3 PRO 30 HB2 PRO 30 0.916 13.203 -6.615 314 HG2 PRO 30 HG3 PRO 30 -1.665 12.358 -6.171 315 HG3 PRO 30 HG2 PRO 30 -0.265 11.266 -5.975 316 HD2 PRO 30 HD3 PRO 30 -2.057 12.254 -3.933 317 HD3 PRO 30 HD2 PRO 30 -0.725 11.094 -3.738 318 H SER 31 H SER 31 1.466 14.798 -2.288 319 HA SER 31 HA SER 31 3.497 16.534 -3.507 320 HB2 SER 31 HB3 SER 31 2.456 16.332 -0.662 321 HB3 SER 31 HB2 SER 31 3.613 17.542 -1.251 322 HG SER 31 HG SER 31 1.438 18.306 -1.282 323 H LYS 32 H LYS 32 4.524 14.249 -4.014 324 HA LYS 32 HA LYS 32 5.782 12.563 -2.172 325 HB2 LYS 32 HB3 LYS 32 6.648 13.272 -4.988 326 HB3 LYS 32 HB2 LYS 32 7.198 11.859 -4.072 327 HG2 LYS 32 HG3 LYS 32 4.899 10.969 -4.010 328 HG3 LYS 32 HG2 LYS 32 4.298 12.413 -4.833 329 HD2 LYS 32 HD3 LYS 32 4.438 10.962 -6.604 330 HD3 LYS 32 HD2 LYS 32 5.997 11.783 -6.723 331 HE2 LYS 32 HE3 LYS 32 6.925 9.805 -5.300 332 HE3 LYS 32 HE2 LYS 32 5.370 9.019 -5.598 333 HZ1 LYS 32 HZ1 LYS 32 7.428 9.780 -7.584 334 HZ2 LYS 32 HZ2 LYS 32 5.890 9.394 -8.047 335 HZ3 LYS 32 HZ3 LYS 32 6.832 8.286 -7.293 336 HA PRO 33 HA PRO 33 8.540 15.693 -0.551 337 HB2 PRO 33 HB3 PRO 33 9.583 13.412 1.135 338 HB3 PRO 33 HB2 PRO 33 9.152 15.078 1.632 339 HG2 PRO 33 HG3 PRO 33 7.419 13.065 2.093 340 HG3 PRO 33 HG2 PRO 33 6.807 14.609 1.410 341 HD2 PRO 33 HD3 PRO 33 7.469 12.039 -0.057 342 HD3 PRO 33 HD2 PRO 33 6.029 13.088 -0.184 343 H LYS 34 H LYS 34 9.849 12.655 -1.703 344 HA LYS 34 HA LYS 34 12.375 14.009 -2.551 345 HB2 LYS 34 HB3 LYS 34 13.647 12.032 -2.146 346 HB3 LYS 34 HB2 LYS 34 12.877 12.538 -0.666 347 HG2 LYS 34 HG3 LYS 34 11.673 10.342 -2.419 348 HG3 LYS 34 HG2 LYS 34 12.987 10.006 -1.314 349 HD2 LYS 34 HD3 LYS 34 10.256 11.062 -0.458 350 HD3 LYS 34 HD2 LYS 34 10.817 9.390 -0.383 351 HE2 LYS 34 HE3 LYS 34 12.737 10.143 1.052 352 HE3 LYS 34 HE2 LYS 34 12.021 11.757 1.125 353 HZ1 LYS 34 HZ1 LYS 34 10.104 10.818 2.233 354 HZ2 LYS 34 HZ2 LYS 34 11.429 10.246 3.013 355 HZ3 LYS 34 HZ3 LYS 34 10.592 9.293 1.971 356 H THR 35 H THR 35 9.806 13.538 -3.936 357 HA THR 35 HA THR 35 8.791 12.720 -5.742 358 HB THR 35 HB THR 35 10.013 12.840 -7.901 359 HG1 THR 35 HG1 THR 35 12.135 12.384 -7.050 360 HG21 THR 35 HG21 THR 35 10.320 15.211 -6.013 361 HG22 THR 35 HG22 THR 35 8.846 14.771 -6.906 362 HG23 THR 35 HG23 THR 35 10.299 15.263 -7.789 363 H ASN 36 H ASN 36 11.020 10.554 -4.531 364 HA ASN 36 HA ASN 36 11.319 8.334 -4.566 365 HB2 ASN 36 HB3 ASN 36 8.632 8.204 -5.948 366 HB3 ASN 36 HB2 ASN 36 9.609 6.803 -5.620 367 HD21 ASN 36 HD21 ASN 36 8.921 9.626 -3.503 368 HD22 ASN 36 HD22 ASN 36 8.162 8.637 -2.254 369 H1 GLY 37 H1 GLY 37 -8.975 -10.910 -0.641 370 H2 GLY 37 H2 GLY 37 -8.598 -9.362 -0.268 371 H3 GLY 37 H3 GLY 37 -7.548 -10.569 0.101 372 HA2 GLY 37 HA3 GLY 37 -7.156 -11.034 -2.235 373 HA3 GLY 37 HA2 GLY 37 -8.323 -9.760 -2.630 374 H GLN 38 H GLN 38 -5.213 -10.328 -0.944 375 HA GLN 38 HA GLN 38 -4.421 -7.505 -1.434 376 HB2 GLN 38 HB3 GLN 38 -3.352 -7.556 0.719 377 HB3 GLN 38 HB2 GLN 38 -5.048 -7.893 0.856 378 HG2 GLN 38 HG3 GLN 38 -3.078 -10.205 0.825 379 HG3 GLN 38 HG2 GLN 38 -3.299 -9.234 2.270 380 HE21 GLN 38 HE21 GLN 38 -4.908 -9.931 3.718 381 HE22 GLN 38 HE22 GLN 38 -6.217 -10.987 3.205 382 H TRP 39 H TRP 39 -1.767 -8.270 -0.208 383 HA TRP 39 HA TRP 39 -0.302 -8.452 -2.663 384 HB2 TRP 39 HB3 TRP 39 1.658 -8.417 -0.885 385 HB3 TRP 39 HB2 TRP 39 0.682 -7.022 -1.223 386 HD1 TRP 39 HD1 TRP 39 -1.350 -6.457 0.485 387 HE1 TRP 39 HE1 TRP 39 -1.670 -6.880 2.982 388 HE3 TRP 39 HE3 TRP 39 2.698 -9.433 1.284 389 HZ2 TRP 39 HZ2 TRP 39 -0.174 -8.112 5.130 390 HZ3 TRP 39 HZ3 TRP 39 3.268 -10.186 3.576 391 HH2 TRP 39 HH2 TRP 39 1.866 -9.481 5.515 392 H ASN 40 H ASN 40 1.029 -10.370 -0.042 393 HA ASN 40 HA ASN 40 0.802 -12.794 -1.767 394 HB2 ASN 40 HB3 ASN 40 2.799 -13.671 -0.762 395 HB3 ASN 40 HB2 ASN 40 3.085 -12.101 -1.500 396 HD21 ASN 40 HD21 ASN 40 2.032 -13.290 1.735 397 HD22 ASN 40 HD22 ASN 40 3.091 -12.174 2.607 398 H LYS 41 H LYS 41 -1.249 -11.784 0.080 399 HA LYS 41 HA LYS 41 -2.762 -12.550 1.646 400 HB2 LYS 41 HB3 LYS 41 -2.263 -15.077 0.022 401 HB3 LYS 41 HB2 LYS 41 -3.660 -14.755 1.048 402 HG2 LYS 41 HG3 LYS 41 -4.560 -14.122 -0.940 403 HG3 LYS 41 HG2 LYS 41 -3.921 -12.575 -0.399 404 HD2 LYS 41 HD3 LYS 41 -1.816 -13.178 -1.844 405 HD3 LYS 41 HD2 LYS 41 -2.821 -14.456 -2.529 406 HE2 LYS 41 HE3 LYS 41 -4.459 -12.818 -3.301 407 HE3 LYS 41 HE2 LYS 41 -3.653 -11.528 -2.390 408 HZ1 LYS 41 HZ1 LYS 41 -3.051 -11.433 -4.724 409 HZ2 LYS 41 HZ2 LYS 41 -2.426 -12.950 -4.691 410 HZ3 LYS 41 HZ3 LYS 41 -1.735 -11.733 -3.818 411 HA PRO 42 HA PRO 42 1.047 -13.087 4.388 412 HB2 PRO 42 HB3 PRO 42 -1.473 -13.761 5.911 413 HB3 PRO 42 HB2 PRO 42 0.082 -13.151 6.591 414 HG2 PRO 42 HG3 PRO 42 -1.879 -11.439 5.675 415 HG3 PRO 42 HG2 PRO 42 -0.147 -11.067 5.529 416 HD2 PRO 42 HD3 PRO 42 -2.031 -11.575 3.396 417 HD3 PRO 42 HD2 PRO 42 -0.301 -11.167 3.251 418 H SER 43 H SER 43 0.846 -15.152 2.484 419 HA SER 43 HA SER 43 2.018 -17.390 4.076 420 HB2 SER 43 HB3 SER 43 1.693 -17.006 1.076 421 HB3 SER 43 HB2 SER 43 2.439 -18.411 1.864 422 HG SER 43 HG SER 43 -0.237 -17.498 2.271 423 H LYS 44 H LYS 44 3.276 -15.382 4.924 424 HA LYS 44 HA LYS 44 4.640 -13.643 3.252 425 HB2 LYS 44 HB3 LYS 44 5.232 -14.152 6.187 426 HB3 LYS 44 HB2 LYS 44 5.618 -12.693 5.266 427 HG2 LYS 44 HG3 LYS 44 3.161 -12.330 4.878 428 HG3 LYS 44 HG2 LYS 44 2.823 -13.767 5.848 429 HD2 LYS 44 HD3 LYS 44 2.414 -11.915 7.244 430 HD3 LYS 44 HD2 LYS 44 3.913 -12.670 7.815 431 HE2 LYS 44 HE3 LYS 44 5.221 -10.965 6.567 432 HE3 LYS 44 HE2 LYS 44 3.740 -10.229 5.981 433 HZ1 LYS 44 HZ1 LYS 44 4.515 -10.401 8.835 434 HZ2 LYS 44 HZ2 LYS 44 3.171 -9.627 8.248 435 HZ3 LYS 44 HZ3 LYS 44 4.666 -9.076 7.897 436 HA PRO 45 HA PRO 45 8.425 -16.060 2.621 437 HB2 PRO 45 HB3 PRO 45 9.062 -15.300 0.126 438 HB3 PRO 45 HB2 PRO 45 7.587 -16.260 0.455 439 HG2 PRO 45 HG3 PRO 45 7.810 -13.273 0.013 440 HG3 PRO 45 HG2 PRO 45 6.632 -14.415 -0.697 441 HD2 PRO 45 HD3 PRO 45 6.162 -12.855 1.575 442 HD3 PRO 45 HD2 PRO 45 5.317 -14.376 1.196 443 H LYS 46 H LYS 46 8.154 -12.621 2.718 444 HA LYS 46 HA LYS 46 11.090 -12.223 3.127 445 HB2 LYS 46 HB3 LYS 46 10.724 -9.912 2.144 446 HB3 LYS 46 HB2 LYS 46 10.698 -11.279 1.060 447 HG2 LYS 46 HG3 LYS 46 9.016 -9.605 0.493 448 HG3 LYS 46 HG2 LYS 46 8.326 -11.191 0.786 449 HD2 LYS 46 HD3 LYS 46 7.670 -10.410 3.099 450 HD3 LYS 46 HD2 LYS 46 8.207 -8.785 2.653 451 HE2 LYS 46 HE3 LYS 46 6.188 -10.382 1.019 452 HE3 LYS 46 HE2 LYS 46 5.678 -9.462 2.429 453 HZ1 LYS 46 HZ1 LYS 46 6.453 -7.444 1.377 454 HZ2 LYS 46 HZ2 LYS 46 5.465 -8.228 0.329 455 HZ3 LYS 46 HZ3 LYS 46 7.080 -8.269 0.102 456 H THR 47 H THR 47 9.082 -12.820 5.046 457 HA THR 47 HA THR 47 8.289 -12.432 7.065 458 HB THR 47 HB THR 47 9.747 -11.493 8.743 459 HG1 THR 47 HG1 THR 47 11.756 -10.692 8.143 460 HG21 THR 47 HG21 THR 47 11.278 -13.171 6.708 461 HG22 THR 47 HG22 THR 47 10.105 -13.802 7.885 462 HG23 THR 47 HG23 THR 47 11.600 -13.042 8.450 463 H ASN 48 H ASN 48 9.215 -9.180 5.964 464 HA ASN 48 HA ASN 48 8.463 -7.136 6.835 465 HB2 ASN 48 HB3 ASN 48 6.696 -6.422 5.413 466 HB3 ASN 48 HB2 ASN 48 7.779 -7.466 4.523 467 HD21 ASN 48 HD21 ASN 48 4.735 -6.634 4.379 468 HD22 ASN 48 HD22 ASN 48 3.979 -8.177 4.075 Start of MODEL 2 1 H5' G 1 H5' G 1 -5.963 0.976 -8.430 2 H5'' G 1 H5'' G 1 -7.422 0.021 -8.652 3 H4' G 1 H4' G 1 -8.706 1.435 -7.364 4 H3' G 1 H3' G 1 -7.915 3.663 -8.712 5 H2' G 1 H2' G 1 -5.603 3.325 -8.042 6 HO2' G 1 HO2' G 1 -6.200 5.573 -7.780 7 H1' G 1 H1' G 1 -6.693 3.305 -5.220 8 H8 G 1 H8 G 1 -3.535 2.766 -7.276 9 H1 G 1 H1 G 1 -3.072 1.573 -0.964 10 H21 G 1 H21 G 1 -5.162 1.658 -0.091 11 H22 G 1 H22 G 1 -6.534 1.834 -1.156 12 HO5' G 1 HO5' G 1 -8.078 1.453 -10.274 13 H5' G 2 H5' G 2 -11.271 6.579 -5.972 14 H5'' G 2 H5'' G 2 -9.610 6.196 -5.514 15 H4' G 2 H4' G 2 -12.024 5.820 -3.685 16 H3' G 2 H3' G 2 -11.198 8.296 -4.420 17 H2' G 2 H2' G 2 -8.864 7.750 -4.285 18 HO2' G 2 HO2' G 2 -7.978 8.980 -2.572 19 H1' G 2 H1' G 2 -9.356 6.716 -1.484 20 H8 G 2 H8 G 2 -7.381 5.891 -4.758 21 H1 G 2 H1 G 2 -4.286 4.869 0.805 22 H21 G 2 H21 G 2 -5.680 5.370 2.504 23 H22 G 2 H22 G 2 -7.351 5.878 2.155 24 H5' A 3 H5' A 3 -12.363 7.144 0.478 25 H5'' A 3 H5'' A 3 -11.235 6.341 -0.612 26 H4' A 3 H4' A 3 -13.402 5.026 1.066 27 H3' A 3 H3' A 3 -10.373 5.027 1.015 28 H2' A 3 H2' A 3 -10.474 2.897 2.171 29 HO2' A 3 HO2' A 3 -12.359 3.397 3.510 30 H1' A 3 H1' A 3 -12.380 1.928 0.443 31 H8 A 3 H8 A 3 -8.869 3.455 0.535 32 H61 A 3 H61 A 3 -7.986 0.060 -4.645 33 H62 A 3 H62 A 3 -7.137 1.091 -3.499 34 H2 A 3 H2 A 3 -12.132 -0.262 -3.608 35 H5' G 4 H5' G 4 -8.271 5.373 5.485 36 H5'' G 4 H5'' G 4 -7.630 4.532 4.074 37 H4' G 4 H4' G 4 -9.094 3.096 6.322 38 H3' G 4 H3' G 4 -6.357 4.225 6.204 39 H2' G 4 H2' G 4 -5.151 2.296 6.506 40 HO2' G 4 HO2' G 4 -6.673 1.642 8.266 41 H1' G 4 H1' G 4 -6.671 0.502 5.130 42 H8 G 4 H8 G 4 -7.293 2.495 2.442 43 H1 G 4 H1 G 4 -0.952 1.464 2.809 44 H21 G 4 H21 G 4 -0.402 1.162 4.964 45 H22 G 4 H22 G 4 -1.668 1.038 6.184 46 H5' G 5 H5' G 5 -4.987 3.214 9.339 47 H5'' G 5 H5'' G 5 -4.822 4.504 10.537 48 H4' G 5 H4' G 5 -2.647 3.650 9.913 49 H3' G 5 H3' G 5 -3.194 6.390 9.939 50 H2' G 5 H2' G 5 -3.600 6.492 7.606 51 HO2' G 5 HO2' G 5 -0.891 7.112 8.158 52 H1' G 5 H1' G 5 -1.137 4.748 7.276 53 H8 G 5 H8 G 5 -4.669 5.376 5.754 54 H1 G 5 H1 G 5 0.248 4.659 1.625 55 H21 G 5 H21 G 5 2.129 4.662 2.809 56 H22 G 5 H22 G 5 2.067 4.592 4.548 57 H5' A 6 H5' A 6 -0.405 3.008 9.891 58 H5'' A 6 H5'' A 6 -0.996 2.664 11.524 59 H4' A 6 H4' A 6 1.586 2.390 12.077 60 H3' A 6 H3' A 6 2.038 2.827 9.393 61 H2' A 6 H2' A 6 0.401 1.211 8.738 62 HO2' A 6 HO2' A 6 2.771 -0.369 8.761 63 H1' A 6 H1' A 6 1.780 -0.671 10.683 64 H8 A 6 H8 A 6 0.800 -2.972 10.280 65 H61 A 6 H61 A 6 -5.336 -2.706 9.003 66 H62 A 6 H62 A 6 -4.072 -3.826 9.476 67 H2 A 6 H2 A 6 -3.815 1.321 8.893 68 H5' G 7 H5' G 7 5.733 1.056 8.597 69 H5'' G 7 H5'' G 7 6.917 2.256 9.121 70 H4' G 7 H4' G 7 7.274 2.471 6.895 71 H3' G 7 H3' G 7 5.687 4.618 7.736 72 H2' G 7 H2' G 7 3.696 3.356 7.079 73 HO2' G 7 HO2' G 7 4.429 5.313 5.165 74 H1' G 7 H1' G 7 5.362 2.937 4.573 75 H8 G 7 H8 G 7 2.124 1.716 6.326 76 H1 G 7 H1 G 7 2.353 1.520 -0.110 77 H21 G 7 H21 G 7 4.488 1.702 -0.781 78 H22 G 7 H22 G 7 5.762 1.871 0.414 79 H5' G 8 H5' G 8 8.818 3.868 4.163 80 H5'' G 8 H5'' G 8 10.257 4.844 4.471 81 H4' G 8 H4' G 8 10.211 4.705 2.153 82 H3' G 8 H3' G 8 9.763 7.284 3.113 83 H2' G 8 H2' G 8 7.386 7.061 2.956 84 HO2' G 8 HO2' G 8 7.814 7.964 0.308 85 H1' G 8 H1' G 8 7.820 5.798 0.215 86 H8 G 8 H8 G 8 5.620 5.512 3.414 87 H1 G 8 H1 G 8 2.405 4.867 -2.101 88 H21 G 8 H21 G 8 3.695 5.457 -3.728 89 H22 G 8 H22 G 8 5.375 5.903 -3.503 90 H5' A 9 H5' A 9 11.600 6.443 -2.376 91 H5'' A 9 H5'' A 9 10.315 6.213 -1.208 92 H4' A 9 H4' A 9 12.820 4.477 -1.484 93 H3' A 9 H3' A 9 9.918 4.033 -2.251 94 H2' A 9 H2' A 9 10.433 1.701 -2.212 95 HO2' A 9 HO2' A 9 12.502 1.765 -3.199 96 H1' A 9 H1' A 9 11.991 1.997 0.108 97 H8 A 9 H8 A 9 8.413 2.300 -1.278 98 H61 A 9 H61 A 9 6.812 0.924 4.616 99 H62 A 9 H62 A 9 6.107 1.109 3.014 100 H2 A 9 H2 A 9 11.044 1.268 4.526 101 H5' G 10 H5' G 10 8.569 4.900 -4.866 102 H5'' G 10 H5'' G 10 7.421 3.859 -4.027 103 H4' G 10 H4' G 10 8.255 3.642 -6.951 104 H3' G 10 H3' G 10 5.842 4.641 -5.481 105 H2' G 10 H2' G 10 4.329 3.641 -7.041 106 HO2' G 10 HO2' G 10 6.148 3.981 -8.829 107 H1' G 10 H1' G 10 5.433 1.202 -6.985 108 H8 G 10 H8 G 10 6.609 1.753 -3.642 109 H1 G 10 H1 G 10 0.192 1.764 -3.635 110 H21 G 10 H21 G 10 -0.561 1.956 -5.750 111 H22 G 10 H22 G 10 0.586 2.062 -7.074 112 H5' G 11 H5' G 11 4.799 5.424 -9.339 113 H5'' G 11 H5'' G 11 4.480 7.115 -9.679 114 H4' G 11 H4' G 11 2.775 5.392 -10.457 115 H3' G 11 H3' G 11 2.280 8.013 -9.875 116 H2' G 11 H2' G 11 2.067 7.552 -7.511 117 HO2' G 11 HO2' G 11 -0.439 7.480 -7.228 118 H1' G 11 H1' G 11 0.133 5.345 -8.275 119 H8 G 11 H8 G 11 3.236 5.252 -5.979 120 H1 G 11 H1 G 11 -2.420 4.901 -2.933 121 H21 G 11 H21 G 11 -4.064 5.473 -4.405 122 H22 G 11 H22 G 11 -3.609 6.039 -6.002 123 H5' A 12 H5' A 12 -0.178 4.481 -11.612 124 H5'' A 12 H5'' A 12 -1.172 4.408 -13.067 125 H4' A 12 H4' A 12 -2.505 3.789 -11.167 126 H3' A 12 H3' A 12 -3.215 6.430 -12.401 127 HO3' A 12 HO3' A 12 -4.896 5.163 -13.241 128 H2' A 12 H2' A 12 -4.916 6.756 -10.800 129 HO2' A 12 HO2' A 12 -5.466 4.376 -11.085 130 H1' A 12 H1' A 12 -3.631 5.671 -8.605 131 H8 A 12 H8 A 12 -2.262 8.059 -11.349 132 H61 A 12 H61 A 12 -3.170 12.351 -6.855 133 H62 A 12 H62 A 12 -2.591 12.181 -8.515 134 H2 A 12 H2 A 12 -4.302 8.532 -5.264 135 H5' G 13 H5' G 13 -9.382 0.231 6.681 136 H5'' G 13 H5'' G 13 -9.844 0.288 4.977 137 H4' G 13 H4' G 13 -9.846 -2.273 5.018 138 H3' G 13 H3' G 13 -9.269 -1.844 7.828 139 H2' G 13 H2' G 13 -7.004 -1.387 7.383 140 HO2' G 13 HO2' G 13 -7.436 -4.143 7.698 141 H1' G 13 H1' G 13 -7.282 -3.381 5.101 142 H8 G 13 H8 G 13 -4.558 -2.484 6.929 143 H1 G 13 H1 G 13 -3.267 -1.283 0.760 144 H21 G 13 H21 G 13 -5.236 -1.238 -0.372 145 H22 G 13 H22 G 13 -6.735 -1.443 0.474 146 HO5' G 13 HO5' G 13 -11.421 -1.345 6.648 147 H5' G 14 H5' G 14 -11.124 -6.488 5.048 148 H5'' G 14 H5'' G 14 -9.479 -5.854 5.219 149 H4' G 14 H4' G 14 -11.223 -5.110 2.845 150 H3' G 14 H3' G 14 -10.640 -7.747 3.221 151 H2' G 14 H2' G 14 -8.318 -7.196 3.763 152 HO2' G 14 HO2' G 14 -8.570 -8.291 1.185 153 H1' G 14 H1' G 14 -8.427 -5.619 1.163 154 H8 G 14 H8 G 14 -6.672 -5.702 4.626 155 H1 G 14 H1 G 14 -2.921 -4.310 -0.430 156 H21 G 14 H21 G 14 -4.096 -4.761 -2.293 157 H22 G 14 H22 G 14 -5.776 -5.243 -2.137 158 H5' A 15 H5' A 15 -10.586 -7.295 -2.630 159 H5'' A 15 H5'' A 15 -9.925 -6.380 -1.267 160 H4' A 15 H4' A 15 -12.615 -5.751 -2.555 161 H3' A 15 H3' A 15 -9.824 -4.718 -3.045 162 H2' A 15 H2' A 15 -10.698 -2.543 -3.420 163 HO2' A 15 HO2' A 15 -12.507 -3.151 -4.718 164 H1' A 15 H1' A 15 -12.599 -2.667 -1.397 165 H8 A 15 H8 A 15 -8.752 -3.201 -1.779 166 H61 A 15 H61 A 15 -8.625 0.529 3.254 167 H62 A 15 H62 A 15 -7.554 -0.406 2.230 168 H2 A 15 H2 A 15 -12.694 -0.119 2.293 169 H5' G 16 H5' G 16 -7.276 -3.985 -4.372 170 H5'' G 16 H5'' G 16 -8.755 -3.027 -4.465 171 H4' G 16 H4' G 16 -8.251 -2.830 -7.006 172 H3' G 16 H3' G 16 -5.848 -4.256 -6.032 173 H2' G 16 H2' G 16 -4.238 -2.689 -6.665 174 HO2' G 16 HO2' G 16 -4.615 -1.014 -8.138 175 H1' G 16 H1' G 16 -5.528 -0.366 -6.110 176 H8 G 16 H8 G 16 -6.951 -1.763 -3.200 177 H1 G 16 H1 G 16 -0.540 -1.532 -2.602 178 H21 G 16 H21 G 16 0.362 -1.282 -4.667 179 H22 G 16 H22 G 16 -0.707 -1.169 -6.055 180 H5' G 17 H5' G 17 -3.924 -3.209 -9.444 181 H5'' G 17 H5'' G 17 -3.528 -4.638 -10.389 182 H4' G 17 H4' G 17 -1.557 -3.211 -9.869 183 H3' G 17 H3' G 17 -1.547 -5.963 -9.924 184 H2' G 17 H2' G 17 -2.088 -6.163 -7.600 185 HO2' G 17 HO2' G 17 0.749 -6.280 -7.766 186 H1' G 17 H1' G 17 0.080 -4.096 -7.098 187 H8 G 17 H8 G 17 -3.513 -4.898 -5.864 188 H1 G 17 H1 G 17 1.113 -4.694 -1.369 189 H21 G 17 H21 G 17 3.074 -4.661 -2.417 190 H22 G 17 H22 G 17 3.154 -4.427 -4.134 191 H5' A 18 H5' A 18 0.762 -2.223 -11.148 192 H5'' A 18 H5'' A 18 1.815 -2.387 -12.547 193 H4' A 18 H4' A 18 3.781 -1.832 -11.247 194 H3' A 18 H3' A 18 2.857 -2.896 -8.952 195 H2' A 18 H2' A 18 0.767 -1.739 -9.095 196 HO2' A 18 HO2' A 18 0.715 -0.280 -7.351 197 H1' A 18 H1' A 18 2.221 0.906 -9.260 198 H8 A 18 H8 A 18 0.891 1.624 -12.064 199 H61 A 18 H61 A 18 -5.096 1.465 -10.204 200 H62 A 18 H62 A 18 -4.048 2.017 -11.506 201 H2 A 18 H2 A 18 -2.724 -0.455 -7.165 202 H5' G 19 H5' G 19 8.054 -0.372 -7.097 203 H5'' G 19 H5'' G 19 8.038 -1.952 -7.882 204 H4' G 19 H4' G 19 8.551 -1.924 -5.400 205 H3' G 19 H3' G 19 7.219 -3.905 -6.804 206 H2' G 19 H2' G 19 5.072 -2.875 -6.310 207 HO2' G 19 HO2' G 19 4.726 -5.038 -5.811 208 H1' G 19 H1' G 19 6.165 -2.767 -3.507 209 H8 G 19 H8 G 19 3.328 -1.468 -5.804 210 H1 G 19 H1 G 19 2.281 -1.535 0.555 211 H21 G 19 H21 G 19 4.285 -1.671 1.610 212 H22 G 19 H22 G 19 5.755 -1.827 0.670 213 H5' G 20 H5' G 20 9.876 -3.611 -2.727 214 H5'' G 20 H5'' G 20 11.370 -4.513 -2.988 215 H4' G 20 H4' G 20 11.063 -4.743 -0.705 216 H3' G 20 H3' G 20 10.785 -7.156 -1.992 217 H2' G 20 H2' G 20 8.400 -6.864 -2.296 218 HO2' G 20 HO2' G 20 8.778 -8.946 -1.319 219 H1' G 20 H1' G 20 8.344 -6.126 0.640 220 H8 G 20 H8 G 20 6.541 -5.624 -2.789 221 H1 G 20 H1 G 20 2.925 -4.714 2.434 222 H21 G 20 H21 G 20 4.220 -5.019 4.268 223 H22 G 20 H22 G 20 5.950 -5.321 4.069 224 H5' A 21 H5' A 21 10.997 -6.283 3.075 225 H5'' A 21 H5'' A 21 10.136 -5.236 1.929 226 H4' A 21 H4' A 21 12.307 -4.422 3.903 227 H3' A 21 H3' A 21 9.322 -4.116 3.876 228 H2' A 21 H2' A 21 9.417 -1.834 4.559 229 HO2' A 21 HO2' A 21 11.044 -2.031 6.131 230 H1' A 21 H1' A 21 11.368 -1.032 2.882 231 H8 A 21 H8 A 21 7.903 -2.323 2.998 232 H61 A 21 H61 A 21 7.702 -0.915 -3.093 233 H62 A 21 H62 A 21 6.663 -1.258 -1.716 234 H2 A 21 H2 A 21 11.812 -0.786 -1.902 235 H5' G 22 H5' G 22 6.258 -3.769 5.774 236 H5'' G 22 H5'' G 22 7.612 -2.652 5.615 237 H4' G 22 H4' G 22 7.546 -2.509 8.213 238 H3' G 22 H3' G 22 5.403 -4.351 7.898 239 H2' G 22 H2' G 22 3.508 -3.108 7.763 240 HO2' G 22 HO2' G 22 4.528 -2.155 10.049 241 H1' G 22 H1' G 22 4.350 -0.457 7.491 242 H8 G 22 H8 G 22 5.985 -1.386 4.576 243 H1 G 22 H1 G 22 -0.388 -1.821 3.836 244 H21 G 22 H21 G 22 -1.362 -2.028 5.833 245 H22 G 22 H22 G 22 -0.355 -2.186 7.268 246 H5' G 23 H5' G 23 3.373 -4.122 11.180 247 H5'' G 23 H5'' G 23 3.857 -5.467 12.218 248 H4' G 23 H4' G 23 1.558 -5.701 11.807 249 H3' G 23 H3' G 23 3.284 -7.796 11.127 250 H2' G 23 H2' G 23 3.271 -7.444 8.841 251 HO2' G 23 HO2' G 23 1.004 -9.036 9.435 252 H1' G 23 H1' G 23 0.336 -6.673 8.826 253 H8 G 23 H8 G 23 3.847 -5.791 7.488 254 H1 G 23 H1 G 23 -1.110 -4.669 3.514 255 H21 G 23 H21 G 23 -3.039 -5.042 4.649 256 H22 G 23 H22 G 23 -2.938 -5.776 6.240 257 H5' A 24 H5' A 24 -1.664 -6.131 13.627 258 H5'' A 24 H5'' A 24 -1.752 -7.852 13.271 259 H4' A 24 H4' A 24 -0.895 -5.793 11.185 260 H3' A 24 H3' A 24 -3.619 -6.499 12.225 261 HO3' A 24 HO3' A 24 -2.463 -4.256 10.875 262 H2' A 24 H2' A 24 -4.348 -7.334 10.307 263 HO2' A 24 HO2' A 24 -4.197 -6.218 8.312 264 H1' A 24 H1' A 24 -1.803 -6.789 8.827 265 H8 A 24 H8 A 24 -2.340 -10.171 10.361 266 H61 A 24 H61 A 24 -5.048 -11.704 4.915 267 H62 A 24 H62 A 24 -4.476 -12.391 6.434 268 H2 A 24 H2 A 24 -4.404 -7.449 4.903 269 H1 GLY 25 H1 GLY 25 -7.479 11.768 3.216 270 H2 GLY 25 H2 GLY 25 -6.932 11.642 1.674 271 H3 GLY 25 H3 GLY 25 -7.227 13.121 2.324 272 HA2 GLY 25 HA3 GLY 25 -4.857 12.728 2.258 273 HA3 GLY 25 HA2 GLY 25 -5.446 12.834 3.928 274 H GLN 26 H GLN 26 -3.603 10.982 1.803 275 HA GLN 26 HA GLN 26 -4.006 8.465 3.356 276 HB2 GLN 26 HB3 GLN 26 -3.739 7.277 1.188 277 HB3 GLN 26 HB2 GLN 26 -5.257 8.081 1.493 278 HG2 GLN 26 HG3 GLN 26 -3.148 9.416 -0.240 279 HG3 GLN 26 HG2 GLN 26 -4.215 8.168 -0.872 280 HE21 GLN 26 HE21 GLN 26 -4.575 10.226 -2.331 281 HE22 GLN 26 HE22 GLN 26 -5.949 11.195 -1.825 282 H TRP 27 H TRP 27 -1.703 8.549 0.719 283 HA TRP 27 HA TRP 27 0.387 7.687 2.562 284 HB2 TRP 27 HB3 TRP 27 1.647 7.251 0.448 285 HB3 TRP 27 HB2 TRP 27 0.152 6.382 0.669 286 HD1 TRP 27 HD1 TRP 27 -2.021 7.209 -0.695 287 HE1 TRP 27 HE1 TRP 27 -2.208 8.055 -3.109 288 HE3 TRP 27 HE3 TRP 27 2.927 8.001 -1.609 289 HZ2 TRP 27 HZ2 TRP 27 -0.392 8.652 -5.254 290 HZ3 TRP 27 HZ3 TRP 27 3.692 8.568 -3.891 291 HH2 TRP 27 HH2 TRP 27 2.047 8.923 -5.719 292 H ASN 28 H ASN 28 1.753 9.403 -0.078 293 HA ASN 28 HA ASN 28 2.528 11.609 1.759 294 HB2 ASN 28 HB3 ASN 28 4.436 12.045 0.395 295 HB3 ASN 28 HB2 ASN 28 4.417 10.370 0.919 296 HD21 ASN 28 HD21 ASN 28 2.992 12.103 -1.907 297 HD22 ASN 28 HD22 ASN 28 3.598 10.909 -3.065 298 H LYS 29 H LYS 29 -0.069 11.442 0.512 299 HA LYS 29 HA LYS 29 -1.639 12.779 -0.541 300 HB2 LYS 29 HB3 LYS 29 0.035 14.814 0.980 301 HB3 LYS 29 HB2 LYS 29 -1.576 15.096 0.323 302 HG2 LYS 29 HG3 LYS 29 -2.158 14.542 2.454 303 HG3 LYS 29 HG2 LYS 29 -2.284 12.975 1.669 304 HD2 LYS 29 HD3 LYS 29 0.186 12.622 2.549 305 HD3 LYS 29 HD2 LYS 29 -0.158 14.004 3.585 306 HE2 LYS 29 HE3 LYS 29 -2.080 12.821 4.569 307 HE3 LYS 29 HE2 LYS 29 -1.889 11.499 3.400 308 HZ1 LYS 29 HZ1 LYS 29 0.110 12.180 5.483 309 HZ2 LYS 29 HZ2 LYS 29 0.246 10.977 4.367 310 HZ3 LYS 29 HZ3 LYS 29 -0.908 10.894 5.512 311 HA PRO 30 HA PRO 30 1.265 12.447 -4.288 312 HB2 PRO 30 HB3 PRO 30 -1.228 13.990 -5.016 313 HB3 PRO 30 HB2 PRO 30 -0.253 12.892 -6.057 314 HG2 PRO 30 HG3 PRO 30 -2.394 12.094 -4.395 315 HG3 PRO 30 HG2 PRO 30 -1.113 10.997 -4.988 316 HD2 PRO 30 HD3 PRO 30 -1.584 11.639 -2.293 317 HD3 PRO 30 HD2 PRO 30 -0.091 10.912 -2.934 318 H SER 31 H SER 31 2.175 14.325 -2.373 319 HA SER 31 HA SER 31 2.949 16.682 -4.009 320 HB2 SER 31 HB3 SER 31 3.376 16.003 -1.078 321 HB3 SER 31 HB2 SER 31 3.876 17.510 -1.866 322 HG SER 31 HG SER 31 1.195 16.527 -1.763 323 H LYS 32 H LYS 32 4.151 13.622 -3.583 324 HA LYS 32 HA LYS 32 6.218 12.573 -3.509 325 HB2 LYS 32 HB3 LYS 32 6.636 14.529 -5.801 326 HB3 LYS 32 HB2 LYS 32 7.493 13.008 -5.563 327 HG2 LYS 32 HG3 LYS 32 4.513 13.277 -6.140 328 HG3 LYS 32 HG2 LYS 32 5.775 12.874 -7.299 329 HD2 LYS 32 HD3 LYS 32 6.311 10.810 -5.955 330 HD3 LYS 32 HD2 LYS 32 4.962 11.204 -4.884 331 HE2 LYS 32 HE3 LYS 32 4.069 9.625 -6.372 332 HE3 LYS 32 HE2 LYS 32 3.457 11.184 -6.949 333 HZ1 LYS 32 HZ1 LYS 32 5.664 9.549 -8.090 334 HZ2 LYS 32 HZ2 LYS 32 5.392 11.104 -8.575 335 HZ3 LYS 32 HZ3 LYS 32 4.263 9.950 -8.818 336 HA PRO 33 HA PRO 33 8.068 16.153 -1.186 337 HB2 PRO 33 HB3 PRO 33 8.447 14.066 0.962 338 HB3 PRO 33 HB2 PRO 33 7.943 15.778 1.125 339 HG2 PRO 33 HG3 PRO 33 6.086 13.828 1.255 340 HG3 PRO 33 HG2 PRO 33 5.756 15.286 0.258 341 HD2 PRO 33 HD3 PRO 33 6.785 12.581 -0.666 342 HD3 PRO 33 HD2 PRO 33 5.440 13.554 -1.313 343 H LYS 34 H LYS 34 9.470 13.008 -1.725 344 HA LYS 34 HA LYS 34 12.229 14.158 -1.721 345 HB2 LYS 34 HB3 LYS 34 13.124 12.015 -1.135 346 HB3 LYS 34 HB2 LYS 34 12.017 12.562 0.094 347 HG2 LYS 34 HG3 LYS 34 11.194 10.573 -2.078 348 HG3 LYS 34 HG2 LYS 34 12.021 10.074 -0.621 349 HD2 LYS 34 HD3 LYS 34 9.256 11.348 -0.732 350 HD3 LYS 34 HD2 LYS 34 9.656 9.661 -0.426 351 HE2 LYS 34 HE3 LYS 34 10.941 10.362 1.610 352 HE3 LYS 34 HE2 LYS 34 10.398 12.023 1.359 353 HZ1 LYS 34 HZ1 LYS 34 8.991 10.784 2.938 354 HZ2 LYS 34 HZ2 LYS 34 8.590 9.699 1.779 355 HZ3 LYS 34 HZ3 LYS 34 8.109 11.251 1.642 356 H THR 35 H THR 35 10.168 14.048 -3.851 357 HA THR 35 HA THR 35 9.711 13.439 -5.937 358 HB THR 35 HB THR 35 11.477 13.591 -7.631 359 HG1 THR 35 HG1 THR 35 13.221 12.741 -6.393 360 HG21 THR 35 HG21 THR 35 11.610 15.744 -5.484 361 HG22 THR 35 HG22 THR 35 10.351 15.597 -6.732 362 HG23 THR 35 HG23 THR 35 12.029 15.917 -7.201 363 H ASN 36 H ASN 36 10.155 11.204 -4.098 364 HA ASN 36 HA ASN 36 10.479 8.938 -3.997 365 HB2 ASN 36 HB3 ASN 36 8.210 9.347 -5.972 366 HB3 ASN 36 HB2 ASN 36 8.519 7.870 -5.083 367 HD21 ASN 36 HD21 ASN 36 6.250 8.222 -4.373 368 HD22 ASN 36 HD22 ASN 36 6.047 9.193 -2.900 369 H1 GLY 37 H1 GLY 37 -8.158 -9.618 -0.700 370 H2 GLY 37 H2 GLY 37 -6.940 -10.659 -0.312 371 H3 GLY 37 H3 GLY 37 -8.224 -11.174 -1.193 372 HA2 GLY 37 HA3 GLY 37 -6.348 -10.901 -2.655 373 HA3 GLY 37 HA2 GLY 37 -7.626 -9.734 -3.032 374 H GLN 38 H GLN 38 -4.514 -10.165 -1.359 375 HA GLN 38 HA GLN 38 -3.987 -7.244 -1.508 376 HB2 GLN 38 HB3 GLN 38 -3.050 -7.390 0.713 377 HB3 GLN 38 HB2 GLN 38 -4.726 -7.829 0.701 378 HG2 GLN 38 HG3 GLN 38 -2.619 -10.020 0.669 379 HG3 GLN 38 HG2 GLN 38 -3.024 -9.177 2.154 380 HE21 GLN 38 HE21 GLN 38 -4.813 -9.931 3.364 381 HE22 GLN 38 HE22 GLN 38 -6.000 -11.021 2.659 382 H TRP 39 H TRP 39 -1.360 -8.076 -0.118 383 HA TRP 39 HA TRP 39 0.285 -7.888 -2.458 384 HB2 TRP 39 HB3 TRP 39 2.105 -8.023 -0.552 385 HB3 TRP 39 HB2 TRP 39 1.086 -6.635 -0.761 386 HD1 TRP 39 HD1 TRP 39 -1.095 -6.406 0.862 387 HE1 TRP 39 HE1 TRP 39 -1.534 -7.194 3.252 388 HE3 TRP 39 HE3 TRP 39 3.114 -9.150 1.529 389 HZ2 TRP 39 HZ2 TRP 39 -0.022 -8.504 5.340 390 HZ3 TRP 39 HZ3 TRP 39 3.656 -10.102 3.754 391 HH2 TRP 39 HH2 TRP 39 2.115 -9.736 5.679 392 H ASN 40 H ASN 40 1.421 -10.099 0.025 393 HA ASN 40 HA ASN 40 1.447 -12.302 -1.995 394 HB2 ASN 40 HB3 ASN 40 3.372 -13.245 -0.867 395 HB3 ASN 40 HB2 ASN 40 3.676 -11.613 -1.448 396 HD21 ASN 40 HD21 ASN 40 2.328 -13.047 1.569 397 HD22 ASN 40 HD22 ASN 40 3.259 -11.971 2.618 398 H LYS 41 H LYS 41 -0.820 -11.574 -0.330 399 HA LYS 41 HA LYS 41 -2.478 -12.554 0.953 400 HB2 LYS 41 HB3 LYS 41 -1.642 -14.860 -0.848 401 HB3 LYS 41 HB2 LYS 41 -3.162 -14.733 0.037 402 HG2 LYS 41 HG3 LYS 41 -3.869 -13.924 -1.968 403 HG3 LYS 41 HG2 LYS 41 -3.423 -12.424 -1.169 404 HD2 LYS 41 HD3 LYS 41 -1.106 -12.753 -2.420 405 HD3 LYS 41 HD2 LYS 41 -1.996 -13.917 -3.399 406 HE2 LYS 41 HE3 LYS 41 -3.608 -12.190 -4.054 407 HE3 LYS 41 HE2 LYS 41 -2.906 -11.052 -2.890 408 HZ1 LYS 41 HZ1 LYS 41 -2.109 -10.601 -5.120 409 HZ2 LYS 41 HZ2 LYS 41 -1.459 -12.100 -5.261 410 HZ3 LYS 41 HZ3 LYS 41 -0.871 -11.025 -4.158 411 HA PRO 42 HA PRO 42 1.098 -13.271 4.001 412 HB2 PRO 42 HB3 PRO 42 -1.536 -14.097 5.226 413 HB3 PRO 42 HB2 PRO 42 -0.058 -13.533 6.092 414 HG2 PRO 42 HG3 PRO 42 -1.973 -11.775 5.147 415 HG3 PRO 42 HG2 PRO 42 -0.242 -11.359 5.209 416 HD2 PRO 42 HD3 PRO 42 -1.890 -11.686 2.861 417 HD3 PRO 42 HD2 PRO 42 -0.157 -11.265 2.932 418 H SER 43 H SER 43 1.068 -15.166 1.896 419 HA SER 43 HA SER 43 2.156 -17.522 3.370 420 HB2 SER 43 HB3 SER 43 2.067 -16.858 0.403 421 HB3 SER 43 HB2 SER 43 2.799 -18.313 1.111 422 HG SER 43 HG SER 43 0.637 -18.671 0.405 423 H LYS 44 H LYS 44 3.300 -15.594 4.500 424 HA LYS 44 HA LYS 44 4.712 -13.651 3.152 425 HB2 LYS 44 HB3 LYS 44 5.096 -14.533 6.031 426 HB3 LYS 44 HB2 LYS 44 5.580 -12.973 5.350 427 HG2 LYS 44 HG3 LYS 44 3.211 -12.451 4.826 428 HG3 LYS 44 HG2 LYS 44 2.721 -14.032 5.439 429 HD2 LYS 44 HD3 LYS 44 2.168 -12.417 7.080 430 HD3 LYS 44 HD2 LYS 44 3.479 -13.433 7.703 431 HE2 LYS 44 HE3 LYS 44 5.116 -11.682 7.136 432 HE3 LYS 44 HE2 LYS 44 3.856 -10.680 6.434 433 HZ1 LYS 44 HZ1 LYS 44 2.891 -10.364 8.589 434 HZ2 LYS 44 HZ2 LYS 44 4.489 -10.085 8.728 435 HZ3 LYS 44 HZ3 LYS 44 3.881 -11.495 9.285 436 HA PRO 45 HA PRO 45 8.494 -15.993 2.295 437 HB2 PRO 45 HB3 PRO 45 9.324 -14.748 0.047 438 HB3 PRO 45 HB2 PRO 45 7.856 -15.772 0.073 439 HG2 PRO 45 HG3 PRO 45 8.022 -12.750 0.234 440 HG3 PRO 45 HG2 PRO 45 6.938 -13.751 -0.777 441 HD2 PRO 45 HD3 PRO 45 6.222 -12.677 1.680 442 HD3 PRO 45 HD2 PRO 45 5.503 -14.159 0.995 443 H LYS 46 H LYS 46 8.367 -12.464 2.547 444 HA LYS 46 HA LYS 46 11.174 -12.330 3.520 445 HB2 LYS 46 HB3 LYS 46 10.909 -9.846 3.241 446 HB3 LYS 46 HB2 LYS 46 10.994 -10.838 1.808 447 HG2 LYS 46 HG3 LYS 46 9.428 -8.958 1.645 448 HG3 LYS 46 HG2 LYS 46 8.706 -10.520 1.272 449 HD2 LYS 46 HD3 LYS 46 7.445 -10.531 3.315 450 HD3 LYS 46 HD2 LYS 46 8.423 -9.230 4.002 451 HE2 LYS 46 HE3 LYS 46 6.182 -8.449 3.313 452 HE3 LYS 46 HE2 LYS 46 7.496 -7.592 2.507 453 HZ1 LYS 46 HZ1 LYS 46 5.727 -8.176 0.968 454 HZ2 LYS 46 HZ2 LYS 46 5.896 -9.776 1.247 455 HZ3 LYS 46 HZ3 LYS 46 7.107 -8.906 0.526 456 H THR 47 H THR 47 8.702 -13.211 4.987 457 HA THR 47 HA THR 47 7.910 -13.394 7.033 458 HB THR 47 HB THR 47 9.352 -13.321 8.907 459 HG1 THR 47 HG1 THR 47 11.044 -11.784 7.243 460 HG21 THR 47 HG21 THR 47 9.672 -15.151 7.263 461 HG22 THR 47 HG22 THR 47 11.151 -14.752 8.152 462 HG23 THR 47 HG23 THR 47 10.957 -14.208 6.473 463 H ASN 48 H ASN 48 9.170 -10.083 6.806 464 HA ASN 48 HA ASN 48 8.626 -8.260 8.196 465 HB2 ASN 48 HB3 ASN 48 6.835 -7.119 7.062 466 HB3 ASN 48 HB2 ASN 48 7.931 -7.884 5.939 467 HD21 ASN 48 HD21 ASN 48 4.942 -7.007 5.912 468 HD22 ASN 48 HD22 ASN 48 4.191 -8.375 5.126 Start of MODEL 3 1 H5' G 1 H5' G 1 -7.399 0.412 -8.445 2 H5'' G 1 H5'' G 1 -8.794 -0.030 -7.452 3 H4' G 1 H4' G 1 -8.911 2.130 -6.444 4 H3' G 1 H3' G 1 -7.671 3.178 -8.830 5 H2' G 1 H2' G 1 -5.536 2.684 -8.058 6 HO2' G 1 HO2' G 1 -4.614 4.581 -7.645 7 H1' G 1 H1' G 1 -6.555 3.329 -5.276 8 H8 G 1 H8 G 1 -3.443 2.407 -7.155 9 H1 G 1 H1 G 1 -3.149 1.400 -0.816 10 H21 G 1 H21 G 1 -5.276 1.450 0.012 11 H22 G 1 H22 G 1 -6.615 1.737 -1.067 12 HO5' G 1 HO5' G 1 -9.779 1.905 -8.754 13 H5' G 2 H5' G 2 -10.867 6.717 -5.688 14 H5'' G 2 H5'' G 2 -9.161 6.274 -5.546 15 H4' G 2 H4' G 2 -11.317 5.258 -3.645 16 H3' G 2 H3' G 2 -10.676 7.895 -3.708 17 H2' G 2 H2' G 2 -8.296 7.373 -3.904 18 HO2' G 2 HO2' G 2 -8.982 8.321 -1.374 19 H1' G 2 H1' G 2 -8.751 5.626 -1.458 20 H8 G 2 H8 G 2 -6.669 5.853 -4.720 21 H1 G 2 H1 G 2 -3.364 4.461 0.621 22 H21 G 2 H21 G 2 -4.746 4.813 2.377 23 H22 G 2 H22 G 2 -6.403 5.289 2.055 24 H5' A 3 H5' A 3 -11.630 7.055 2.096 25 H5'' A 3 H5'' A 3 -10.529 6.481 0.838 26 H4' A 3 H4' A 3 -13.280 5.278 1.394 27 H3' A 3 H3' A 3 -10.471 4.533 2.221 28 H2' A 3 H2' A 3 -11.096 2.248 2.175 29 HO2' A 3 HO2' A 3 -13.124 2.499 3.271 30 H1' A 3 H1' A 3 -12.779 2.525 -0.059 31 H8 A 3 H8 A 3 -9.041 3.152 0.877 32 H61 A 3 H61 A 3 -8.081 0.200 -4.572 33 H62 A 3 H62 A 3 -7.208 0.968 -3.260 34 H2 A 3 H2 A 3 -12.298 0.463 -4.000 35 H5' G 4 H5' G 4 -8.099 3.805 3.731 36 H5'' G 4 H5'' G 4 -9.443 2.661 3.716 37 H4' G 4 H4' G 4 -9.151 2.611 6.313 38 H3' G 4 H3' G 4 -6.838 4.255 5.459 39 H2' G 4 H2' G 4 -5.142 2.897 6.307 40 HO2' G 4 HO2' G 4 -6.330 2.614 8.351 41 H1' G 4 H1' G 4 -6.149 0.418 5.842 42 H8 G 4 H8 G 4 -7.356 1.495 2.685 43 H1 G 4 H1 G 4 -0.931 1.851 2.820 44 H21 G 4 H21 G 4 -0.261 1.711 5.006 45 H22 G 4 H22 G 4 -1.479 1.532 6.266 46 H5' G 5 H5' G 5 -5.290 3.705 9.322 47 H5'' G 5 H5'' G 5 -5.211 5.275 10.111 48 H4' G 5 H4' G 5 -3.068 3.956 10.036 49 H3' G 5 H3' G 5 -3.328 6.688 10.007 50 H2' G 5 H2' G 5 -3.516 6.796 7.615 51 HO2' G 5 HO2' G 5 -1.576 7.769 6.842 52 H1' G 5 H1' G 5 -1.081 4.997 7.510 53 H8 G 5 H8 G 5 -4.545 5.326 5.698 54 H1 G 5 H1 G 5 0.689 5.005 1.944 55 H21 G 5 H21 G 5 2.496 5.147 3.250 56 H22 G 5 H22 G 5 2.337 5.041 4.984 57 H5' A 6 H5' A 6 -0.865 3.191 10.025 58 H5'' A 6 H5'' A 6 -1.116 2.593 11.671 59 H4' A 6 H4' A 6 1.577 2.640 11.651 60 H3' A 6 H3' A 6 0.925 2.954 8.878 61 H2' A 6 H2' A 6 0.593 0.871 8.190 62 HO2' A 6 HO2' A 6 3.217 0.437 9.189 63 H1' A 6 H1' A 6 1.750 -0.592 10.470 64 H8 A 6 H8 A 6 0.503 -2.799 10.418 65 H61 A 6 H61 A 6 -5.630 -1.847 9.383 66 H62 A 6 H62 A 6 -4.494 -3.119 9.862 67 H2 A 6 H2 A 6 -3.599 1.751 8.395 68 H5' G 7 H5' G 7 5.012 1.134 8.201 69 H5'' G 7 H5'' G 7 6.580 1.096 8.987 70 H4' G 7 H4' G 7 7.536 2.263 7.285 71 H3' G 7 H3' G 7 6.121 4.467 8.042 72 H2' G 7 H2' G 7 4.056 3.384 7.291 73 HO2' G 7 HO2' G 7 4.741 5.296 5.277 74 H1' G 7 H1' G 7 5.591 3.158 4.680 75 H8 G 7 H8 G 7 2.424 1.969 6.552 76 H1 G 7 H1 G 7 2.379 1.786 0.115 77 H21 G 7 H21 G 7 4.528 1.862 -0.619 78 H22 G 7 H22 G 7 5.832 2.041 0.536 79 H5' G 8 H5' G 8 9.283 3.669 4.451 80 H5'' G 8 H5'' G 8 10.754 4.615 4.694 81 H4' G 8 H4' G 8 10.520 4.454 2.356 82 H3' G 8 H3' G 8 10.386 7.049 3.374 83 H2' G 8 H2' G 8 7.997 7.104 3.342 84 HO2' G 8 HO2' G 8 8.662 7.942 0.687 85 H1' G 8 H1' G 8 8.181 5.759 0.612 86 H8 G 8 H8 G 8 5.941 6.200 3.771 87 H1 G 8 H1 G 8 2.790 4.846 -1.649 88 H21 G 8 H21 G 8 4.277 4.962 -3.360 89 H22 G 8 H22 G 8 6.000 5.090 -3.010 90 H5' A 9 H5' A 9 11.914 6.454 -2.271 91 H5'' A 9 H5'' A 9 10.630 6.255 -1.094 92 H4' A 9 H4' A 9 13.009 4.369 -1.466 93 H3' A 9 H3' A 9 10.095 4.123 -2.290 94 H2' A 9 H2' A 9 10.468 1.773 -2.291 95 HO2' A 9 HO2' A 9 12.536 1.760 -3.292 96 H1' A 9 H1' A 9 12.073 1.911 0.019 97 H8 A 9 H8 A 9 8.473 2.600 -1.247 98 H61 A 9 H61 A 9 6.951 0.799 4.547 99 H62 A 9 H62 A 9 6.215 1.192 3.003 100 H2 A 9 H2 A 9 11.199 0.666 4.273 101 H5' G 10 H5' G 10 8.695 4.608 -5.237 102 H5'' G 10 H5'' G 10 7.670 3.644 -4.169 103 H4' G 10 H4' G 10 8.509 2.744 -6.955 104 H3' G 10 H3' G 10 6.305 4.487 -6.011 105 H2' G 10 H2' G 10 4.533 3.270 -6.884 106 HO2' G 10 HO2' G 10 4.810 1.577 -8.429 107 H1' G 10 H1' G 10 5.470 0.716 -6.504 108 H8 G 10 H8 G 10 6.634 1.708 -3.337 109 H1 G 10 H1 G 10 0.207 1.598 -3.402 110 H21 G 10 H21 G 10 -0.520 1.780 -5.537 111 H22 G 10 H22 G 10 0.645 1.979 -6.832 112 H5' G 11 H5' G 11 4.869 4.239 -9.819 113 H5'' G 11 H5'' G 11 5.165 5.760 -10.665 114 H4' G 11 H4' G 11 2.848 5.100 -10.964 115 H3' G 11 H3' G 11 3.580 7.625 -10.287 116 H2' G 11 H2' G 11 3.344 7.318 -7.941 117 HO2' G 11 HO2' G 11 1.632 8.906 -8.953 118 H1' G 11 H1' G 11 0.728 5.880 -8.370 119 H8 G 11 H8 G 11 4.084 5.606 -6.438 120 H1 G 11 H1 G 11 -1.270 4.544 -3.005 121 H21 G 11 H21 G 11 -3.070 4.911 -4.388 122 H22 G 11 H22 G 11 -2.769 5.164 -6.093 123 H5' A 12 H5' A 12 -0.883 7.077 -12.586 124 H5'' A 12 H5'' A 12 -2.218 7.969 -11.877 125 H4' A 12 H4' A 12 -0.584 5.737 -10.741 126 H3' A 12 H3' A 12 -3.445 6.458 -11.011 127 HO3' A 12 HO3' A 12 -1.954 4.044 -10.675 128 H2' A 12 H2' A 12 -4.132 6.190 -8.859 129 HO2' A 12 HO2' A 12 -1.898 4.466 -8.440 130 H1' A 12 H1' A 12 -1.793 6.582 -7.410 131 H8 A 12 H8 A 12 -3.021 8.946 -10.146 132 H61 A 12 H61 A 12 -5.005 12.238 -5.153 133 H62 A 12 H62 A 12 -4.951 12.294 -6.914 134 H2 A 12 H2 A 12 -3.153 8.612 -3.747 135 H5' G 13 H5' G 13 -6.649 -0.714 7.734 136 H5'' G 13 H5'' G 13 -8.264 -0.039 7.933 137 H4' G 13 H4' G 13 -9.292 -1.735 6.792 138 H3' G 13 H3' G 13 -8.132 -3.660 8.321 139 H2' G 13 H2' G 13 -5.950 -3.021 7.564 140 HO2' G 13 HO2' G 13 -5.227 -4.955 7.201 141 H1' G 13 H1' G 13 -6.970 -3.431 4.745 142 H8 G 13 H8 G 13 -4.069 -2.267 6.886 143 H1 G 13 H1 G 13 -3.281 -1.367 0.572 144 H21 G 13 H21 G 13 -5.297 -1.575 -0.457 145 H22 G 13 H22 G 13 -6.718 -1.951 0.483 146 HO5' G 13 HO5' G 13 -7.685 -0.709 9.947 147 H5' G 14 H5' G 14 -11.320 -6.935 4.968 148 H5'' G 14 H5'' G 14 -9.613 -6.490 5.129 149 H4' G 14 H4' G 14 -11.394 -5.352 2.943 150 H3' G 14 H3' G 14 -10.898 -8.027 2.958 151 H2' G 14 H2' G 14 -8.528 -7.592 3.519 152 HO2' G 14 HO2' G 14 -8.840 -8.333 0.813 153 H1' G 14 H1' G 14 -8.688 -5.757 1.099 154 H8 G 14 H8 G 14 -6.790 -6.114 4.468 155 H1 G 14 H1 G 14 -3.269 -4.310 -0.627 156 H21 G 14 H21 G 14 -4.499 -4.770 -2.470 157 H22 G 14 H22 G 14 -6.120 -5.407 -2.265 158 H5' A 15 H5' A 15 -10.509 -6.715 -2.552 159 H5'' A 15 H5'' A 15 -10.308 -5.708 -1.109 160 H4' A 15 H4' A 15 -12.764 -5.489 -2.878 161 H3' A 15 H3' A 15 -10.007 -4.477 -3.298 162 H2' A 15 H2' A 15 -10.558 -2.209 -3.494 163 HO2' A 15 HO2' A 15 -12.301 -2.490 -4.973 164 H1' A 15 H1' A 15 -12.552 -2.048 -1.645 165 H8 A 15 H8 A 15 -8.865 -3.285 -1.784 166 H61 A 15 H61 A 15 -8.621 -0.491 3.834 167 H62 A 15 H62 A 15 -7.595 -1.327 2.679 168 H2 A 15 H2 A 15 -12.651 -0.226 2.449 169 H5' G 16 H5' G 16 -7.421 -4.080 -4.697 170 H5'' G 16 H5'' G 16 -8.791 -2.973 -4.649 171 H4' G 16 H4' G 16 -8.350 -2.683 -7.224 172 H3' G 16 H3' G 16 -5.997 -4.220 -6.307 173 H2' G 16 H2' G 16 -4.350 -2.692 -6.928 174 HO2' G 16 HO2' G 16 -4.673 -0.973 -8.338 175 H1' G 16 H1' G 16 -5.554 -0.371 -6.255 176 H8 G 16 H8 G 16 -6.993 -1.800 -3.394 177 H1 G 16 H1 G 16 -0.592 -1.634 -2.759 178 H21 G 16 H21 G 16 0.333 -1.385 -4.802 179 H22 G 16 H22 G 16 -0.699 -1.171 -6.214 180 H5' G 17 H5' G 17 -4.294 -3.258 -9.650 181 H5'' G 17 H5'' G 17 -3.653 -4.037 -11.069 182 H4' G 17 H4' G 17 -1.837 -3.881 -9.827 183 H3' G 17 H3' G 17 -2.868 -6.593 -9.689 184 H2' G 17 H2' G 17 -2.749 -6.713 -7.469 185 HO2' G 17 HO2' G 17 0.055 -6.667 -7.828 186 H1' G 17 H1' G 17 -0.624 -4.545 -7.402 187 H8 G 17 H8 G 17 -4.059 -5.110 -5.756 188 H1 G 17 H1 G 17 0.884 -4.730 -1.659 189 H21 G 17 H21 G 17 2.807 -4.854 -2.869 190 H22 G 17 H22 G 17 2.735 -4.756 -4.603 191 H5' A 18 H5' A 18 0.142 -3.091 -8.915 192 H5'' A 18 H5'' A 18 -0.176 -2.118 -10.340 193 H4' A 18 H4' A 18 2.573 -2.934 -10.459 194 H3' A 18 H3' A 18 1.836 -2.636 -7.787 195 H2' A 18 H2' A 18 1.421 -0.510 -7.500 196 HO2' A 18 HO2' A 18 3.047 0.746 -6.943 197 H1' A 18 H1' A 18 2.810 0.674 -9.787 198 H8 A 18 H8 A 18 1.432 2.703 -10.447 199 H61 A 18 H61 A 18 -4.692 1.605 -9.696 200 H62 A 18 H62 A 18 -3.574 2.845 -10.284 201 H2 A 18 H2 A 18 -2.585 -1.547 -7.737 202 H5' G 19 H5' G 19 7.664 -0.391 -7.405 203 H5'' G 19 H5'' G 19 7.813 -1.982 -8.112 204 H4' G 19 H4' G 19 8.420 -1.766 -5.682 205 H3' G 19 H3' G 19 7.267 -3.977 -6.868 206 H2' G 19 H2' G 19 5.072 -3.107 -6.321 207 HO2' G 19 HO2' G 19 4.773 -5.191 -5.765 208 H1' G 19 H1' G 19 6.242 -2.756 -3.566 209 H8 G 19 H8 G 19 3.289 -1.776 -5.869 210 H1 G 19 H1 G 19 2.238 -1.435 0.485 211 H21 G 19 H21 G 19 4.238 -1.527 1.538 212 H22 G 19 H22 G 19 5.701 -1.746 0.599 213 H5' G 20 H5' G 20 9.920 -3.358 -2.813 214 H5'' G 20 H5'' G 20 11.468 -4.206 -2.777 215 H4' G 20 H4' G 20 10.692 -4.536 -0.584 216 H3' G 20 H3' G 20 10.703 -6.900 -2.049 217 H2' G 20 H2' G 20 8.362 -6.507 -2.658 218 HO2' G 20 HO2' G 20 8.580 -8.677 -1.942 219 H1' G 20 H1' G 20 8.111 -5.953 0.318 220 H8 G 20 H8 G 20 6.206 -5.836 -3.039 221 H1 G 20 H1 G 20 2.679 -4.599 2.190 222 H21 G 20 H21 G 20 4.048 -4.831 3.992 223 H22 G 20 H22 G 20 5.784 -5.019 3.758 224 H5' A 21 H5' A 21 10.703 -6.780 3.864 225 H5'' A 21 H5'' A 21 9.827 -6.345 2.406 226 H4' A 21 H4' A 21 12.272 -4.813 3.415 227 H3' A 21 H3' A 21 9.323 -4.399 3.993 228 H2' A 21 H2' A 21 9.752 -2.069 4.113 229 HO2' A 21 HO2' A 21 11.639 -2.158 5.412 230 H1' A 21 H1' A 21 11.722 -2.122 2.082 231 H8 A 21 H8 A 21 7.931 -2.592 2.698 232 H61 A 21 H61 A 21 7.508 -0.551 -3.206 233 H62 A 21 H62 A 21 6.502 -0.947 -1.818 234 H2 A 21 H2 A 21 11.651 -0.791 -2.255 235 H5' G 22 H5' G 22 6.656 -3.794 5.697 236 H5'' G 22 H5'' G 22 7.930 -2.577 5.614 237 H4' G 22 H4' G 22 7.774 -2.421 8.177 238 H3' G 22 H3' G 22 6.257 -4.660 8.133 239 H2' G 22 H2' G 22 4.598 -3.946 6.670 240 HO2' G 22 HO2' G 22 3.638 -4.108 9.011 241 H1' G 22 H1' G 22 4.251 -1.221 7.773 242 H8 G 22 H8 G 22 6.029 -1.492 4.480 243 H1 G 22 H1 G 22 -0.383 -1.414 3.837 244 H21 G 22 H21 G 22 -1.309 -1.707 5.865 245 H22 G 22 H22 G 22 -0.263 -1.960 7.261 246 H5' G 23 H5' G 23 2.824 -3.815 11.111 247 H5'' G 23 H5'' G 23 3.203 -5.180 12.162 248 H4' G 23 H4' G 23 1.009 -5.492 11.355 249 H3' G 23 H3' G 23 2.915 -7.497 10.949 250 H2' G 23 H2' G 23 3.263 -6.919 8.695 251 HO2' G 23 HO2' G 23 1.212 -8.879 8.859 252 H1' G 23 H1' G 23 0.249 -6.569 8.446 253 H8 G 23 H8 G 23 3.639 -6.010 6.778 254 H1 G 23 H1 G 23 -1.490 -4.366 3.255 255 H21 G 23 H21 G 23 -3.360 -4.804 4.525 256 H22 G 23 H22 G 23 -3.140 -5.144 6.230 257 H5' A 24 H5' A 24 -2.371 -6.139 12.844 258 H5'' A 24 H5'' A 24 -2.349 -7.787 12.235 259 H4' A 24 H4' A 24 -1.344 -5.404 10.607 260 H3' A 24 H3' A 24 -4.128 -6.514 11.022 261 HO3' A 24 HO3' A 24 -2.922 -3.944 10.773 262 H2' A 24 H2' A 24 -4.673 -6.305 8.797 263 HO2' A 24 HO2' A 24 -2.501 -4.484 8.559 264 H1' A 24 H1' A 24 -2.037 -6.627 7.753 265 H8 A 24 H8 A 24 -3.613 -9.072 10.148 266 H61 A 24 H61 A 24 -5.759 -11.781 4.880 267 H62 A 24 H62 A 24 -5.710 -11.994 6.628 268 H2 A 24 H2 A 24 -3.647 -8.173 3.795 269 H1 GLY 25 H1 GLY 25 -8.779 9.410 0.590 270 H2 GLY 25 H2 GLY 25 -7.533 10.485 0.512 271 H3 GLY 25 H3 GLY 25 -8.967 10.918 1.184 272 HA2 GLY 25 HA3 GLY 25 -7.423 10.549 2.957 273 HA3 GLY 25 HA2 GLY 25 -8.670 9.290 2.964 274 H GLN 26 H GLN 26 -5.350 10.045 1.875 275 HA GLN 26 HA GLN 26 -4.547 7.210 2.067 276 HB2 GLN 26 HB3 GLN 26 -3.726 7.252 -0.141 277 HB3 GLN 26 HB2 GLN 26 -5.381 7.782 -0.232 278 HG2 GLN 26 HG3 GLN 26 -2.981 9.673 -0.396 279 HG3 GLN 26 HG2 GLN 26 -3.720 8.868 -1.749 280 HE21 GLN 26 HE21 GLN 26 -4.352 10.757 -2.884 281 HE22 GLN 26 HE22 GLN 26 -5.557 11.840 -2.199 282 H TRP 27 H TRP 27 -2.033 7.547 0.986 283 HA TRP 27 HA TRP 27 -0.240 8.776 2.810 284 HB2 TRP 27 HB3 TRP 27 1.350 8.410 0.964 285 HB3 TRP 27 HB2 TRP 27 0.335 7.030 1.222 286 HD1 TRP 27 HD1 TRP 27 -1.612 6.537 -0.635 287 HE1 TRP 27 HE1 TRP 27 -1.657 6.982 -3.146 288 HE3 TRP 27 HE3 TRP 27 2.145 9.964 -0.887 289 HZ2 TRP 27 HZ2 TRP 27 0.059 8.278 -5.084 290 HZ3 TRP 27 HZ3 TRP 27 2.929 10.784 -3.073 291 HH2 TRP 27 HH2 TRP 27 2.007 9.844 -5.179 292 H ASN 28 H ASN 28 1.443 10.372 1.359 293 HA ASN 28 HA ASN 28 0.275 12.908 1.832 294 HB2 ASN 28 HB3 ASN 28 2.541 13.770 1.362 295 HB3 ASN 28 HB2 ASN 28 2.503 12.430 2.497 296 HD21 ASN 28 HD21 ASN 28 2.892 13.008 -1.018 297 HD22 ASN 28 HD22 ASN 28 4.105 11.732 -1.225 298 H LYS 29 H LYS 29 -1.305 12.029 -0.219 299 HA LYS 29 HA LYS 29 -2.333 12.797 -2.164 300 HB2 LYS 29 HB3 LYS 29 -1.745 15.287 -0.524 301 HB3 LYS 29 HB2 LYS 29 -2.906 15.192 -1.847 302 HG2 LYS 29 HG3 LYS 29 -4.335 14.831 -0.121 303 HG3 LYS 29 HG2 LYS 29 -3.917 13.174 -0.529 304 HD2 LYS 29 HD3 LYS 29 -2.075 13.461 1.350 305 HD3 LYS 29 HD2 LYS 29 -3.029 14.854 1.842 306 HE2 LYS 29 HE3 LYS 29 -4.968 13.491 2.259 307 HE3 LYS 29 HE2 LYS 29 -4.269 12.117 1.382 308 HZ1 LYS 29 HZ1 LYS 29 -3.101 13.165 3.900 309 HZ2 LYS 29 HZ2 LYS 29 -2.672 11.795 3.085 310 HZ3 LYS 29 HZ3 LYS 29 -4.109 11.878 3.834 311 HA PRO 30 HA PRO 30 1.552 12.389 -4.611 312 HB2 PRO 30 HB3 PRO 30 -0.376 13.981 -6.312 313 HB3 PRO 30 HB2 PRO 30 0.920 12.863 -6.874 314 HG2 PRO 30 HG3 PRO 30 -1.630 11.985 -6.364 315 HG3 PRO 30 HG2 PRO 30 -0.202 10.969 -6.026 316 HD2 PRO 30 HD3 PRO 30 -2.052 12.166 -4.136 317 HD3 PRO 30 HD2 PRO 30 -0.729 11.028 -3.792 318 H SER 31 H SER 31 1.705 14.426 -2.590 319 HA SER 31 HA SER 31 3.328 16.549 -3.908 320 HB2 SER 31 HB3 SER 31 2.274 16.309 -1.066 321 HB3 SER 31 HB2 SER 31 3.205 17.668 -1.723 322 HG SER 31 HG SER 31 0.677 16.742 -2.680 323 H LYS 32 H LYS 32 4.586 14.394 -4.312 324 HA LYS 32 HA LYS 32 5.776 12.801 -2.390 325 HB2 LYS 32 HB3 LYS 32 6.851 13.454 -5.149 326 HB3 LYS 32 HB2 LYS 32 7.253 12.027 -4.180 327 HG2 LYS 32 HG3 LYS 32 4.899 11.255 -4.323 328 HG3 LYS 32 HG2 LYS 32 4.463 12.714 -5.218 329 HD2 LYS 32 HD3 LYS 32 4.691 11.150 -6.906 330 HD3 LYS 32 HD2 LYS 32 6.229 12.018 -6.959 331 HE2 LYS 32 HE3 LYS 32 7.181 10.126 -5.480 332 HE3 LYS 32 HE2 LYS 32 5.642 9.291 -5.724 333 HZ1 LYS 32 HZ1 LYS 32 7.017 8.467 -7.377 334 HZ2 LYS 32 HZ2 LYS 32 7.703 9.918 -7.747 335 HZ3 LYS 32 HZ3 LYS 32 6.152 9.576 -8.201 336 HA PRO 33 HA PRO 33 8.623 15.887 -0.751 337 HB2 PRO 33 HB3 PRO 33 9.407 13.629 1.090 338 HB3 PRO 33 HB2 PRO 33 9.052 15.339 1.485 339 HG2 PRO 33 HG3 PRO 33 7.182 13.448 1.946 340 HG3 PRO 33 HG2 PRO 33 6.698 14.996 1.174 341 HD2 PRO 33 HD3 PRO 33 7.279 12.334 -0.166 342 HD3 PRO 33 HD2 PRO 33 5.901 13.449 -0.393 343 H LYS 34 H LYS 34 9.689 12.693 -1.740 344 HA LYS 34 HA LYS 34 12.378 13.775 -2.461 345 HB2 LYS 34 HB3 LYS 34 13.449 11.743 -1.889 346 HB3 LYS 34 HB2 LYS 34 12.598 12.342 -0.494 347 HG2 LYS 34 HG3 LYS 34 11.509 10.129 -2.306 348 HG3 LYS 34 HG2 LYS 34 12.578 9.822 -0.954 349 HD2 LYS 34 HD3 LYS 34 9.765 10.969 -0.743 350 HD3 LYS 34 HD2 LYS 34 10.299 9.335 -0.354 351 HE2 LYS 34 HE3 LYS 34 11.868 10.286 1.358 352 HE3 LYS 34 HE2 LYS 34 11.188 11.888 1.065 353 HZ1 LYS 34 HZ1 LYS 34 9.030 11.036 1.815 354 HZ2 LYS 34 HZ2 LYS 34 10.153 10.735 2.969 355 HZ3 LYS 34 HZ3 LYS 34 9.623 9.533 1.994 356 H THR 35 H THR 35 9.798 13.287 -3.956 357 HA THR 35 HA THR 35 8.943 12.577 -5.895 358 HB THR 35 HB THR 35 10.317 13.064 -7.902 359 HG1 THR 35 HG1 THR 35 12.386 12.581 -7.038 360 HG21 THR 35 HG21 THR 35 10.470 15.455 -7.444 361 HG22 THR 35 HG22 THR 35 10.375 15.164 -5.694 362 HG23 THR 35 HG23 THR 35 8.986 14.793 -6.740 363 H ASN 36 H ASN 36 11.299 10.385 -4.871 364 HA ASN 36 HA ASN 36 11.862 8.277 -5.338 365 HB2 ASN 36 HB3 ASN 36 9.154 8.013 -6.665 366 HB3 ASN 36 HB2 ASN 36 10.196 6.696 -6.186 367 HD21 ASN 36 HD21 ASN 36 7.512 6.995 -5.368 368 HD22 ASN 36 HD22 ASN 36 7.535 7.249 -3.611 369 H1 GLY 37 H1 GLY 37 -7.355 -10.551 -0.862 370 H2 GLY 37 H2 GLY 37 -8.658 -10.952 -1.776 371 H3 GLY 37 H3 GLY 37 -8.528 -9.438 -1.176 372 HA2 GLY 37 HA3 GLY 37 -6.778 -10.653 -3.224 373 HA3 GLY 37 HA2 GLY 37 -7.999 -9.401 -3.505 374 H GLN 38 H GLN 38 -4.942 -10.105 -1.807 375 HA GLN 38 HA GLN 38 -4.199 -7.231 -1.818 376 HB2 GLN 38 HB3 GLN 38 -3.404 -7.518 0.433 377 HB3 GLN 38 HB2 GLN 38 -5.088 -7.938 0.359 378 HG2 GLN 38 HG3 GLN 38 -2.997 -10.143 0.239 379 HG3 GLN 38 HG2 GLN 38 -3.401 -9.375 1.758 380 HE21 GLN 38 HE21 GLN 38 -4.968 -10.464 2.956 381 HE22 GLN 38 HE22 GLN 38 -6.213 -11.454 2.196 382 H TRP 39 H TRP 39 -1.716 -7.859 -0.505 383 HA TRP 39 HA TRP 39 0.061 -8.101 -2.689 384 HB2 TRP 39 HB3 TRP 39 1.748 -8.106 -0.707 385 HB3 TRP 39 HB2 TRP 39 0.746 -6.728 -1.012 386 HD1 TRP 39 HD1 TRP 39 -1.442 -6.349 0.602 387 HE1 TRP 39 HE1 TRP 39 -1.843 -6.908 3.045 388 HE3 TRP 39 HE3 TRP 39 2.595 -9.332 1.355 389 HZ2 TRP 39 HZ2 TRP 39 -0.395 -8.214 5.178 390 HZ3 TRP 39 HZ3 TRP 39 3.090 -10.201 3.601 391 HH2 TRP 39 HH2 TRP 39 1.655 -9.590 5.545 392 H ASN 40 H ASN 40 1.066 -10.120 -0.016 393 HA ASN 40 HA ASN 40 0.985 -12.496 -1.829 394 HB2 ASN 40 HB3 ASN 40 3.020 -13.321 -0.898 395 HB3 ASN 40 HB2 ASN 40 3.250 -11.707 -1.557 396 HD21 ASN 40 HD21 ASN 40 2.294 -13.129 1.604 397 HD22 ASN 40 HD22 ASN 40 3.325 -12.035 2.537 398 H LYS 41 H LYS 41 -1.122 -11.640 -0.056 399 HA LYS 41 HA LYS 41 -2.687 -12.557 1.357 400 HB2 LYS 41 HB3 LYS 41 -1.836 -15.012 -0.230 401 HB3 LYS 41 HB2 LYS 41 -3.328 -14.837 0.694 402 HG2 LYS 41 HG3 LYS 41 -4.132 -14.259 -1.355 403 HG3 LYS 41 HG2 LYS 41 -3.696 -12.675 -0.737 404 HD2 LYS 41 HD3 LYS 41 -1.417 -13.093 -2.038 405 HD3 LYS 41 HD2 LYS 41 -2.331 -14.353 -2.866 406 HE2 LYS 41 HE3 LYS 41 -3.998 -12.704 -3.594 407 HE3 LYS 41 HE2 LYS 41 -3.242 -11.454 -2.588 408 HZ1 LYS 41 HZ1 LYS 41 -1.906 -12.734 -4.912 409 HZ2 LYS 41 HZ2 LYS 41 -1.287 -11.532 -3.965 410 HZ3 LYS 41 HZ3 LYS 41 -2.576 -11.237 -4.902 411 HA PRO 42 HA PRO 42 0.945 -12.726 4.394 412 HB2 PRO 42 HB3 PRO 42 -1.495 -13.824 5.787 413 HB3 PRO 42 HB2 PRO 42 -0.134 -12.883 6.495 414 HG2 PRO 42 HG3 PRO 42 -2.468 -11.786 5.364 415 HG3 PRO 42 HG2 PRO 42 -0.936 -10.890 5.567 416 HD2 PRO 42 HD3 PRO 42 -2.164 -11.511 3.109 417 HD3 PRO 42 HD2 PRO 42 -0.476 -10.986 3.315 418 H SER 43 H SER 43 0.976 -14.859 2.434 419 HA SER 43 HA SER 43 2.114 -17.092 4.055 420 HB2 SER 43 HB3 SER 43 1.721 -16.770 1.055 421 HB3 SER 43 HB2 SER 43 2.411 -18.191 1.865 422 HG SER 43 HG SER 43 -0.201 -17.120 2.311 423 H LYS 44 H LYS 44 3.486 -15.155 4.830 424 HA LYS 44 HA LYS 44 4.802 -13.486 3.079 425 HB2 LYS 44 HB3 LYS 44 5.608 -13.947 5.967 426 HB3 LYS 44 HB2 LYS 44 5.903 -12.505 4.990 427 HG2 LYS 44 HG3 LYS 44 3.360 -12.262 4.777 428 HG3 LYS 44 HG2 LYS 44 3.211 -13.589 5.927 429 HD2 LYS 44 HD3 LYS 44 2.923 -11.627 7.183 430 HD3 LYS 44 HD2 LYS 44 4.538 -12.225 7.592 431 HE2 LYS 44 HE3 LYS 44 5.546 -10.574 6.041 432 HE3 LYS 44 HE2 LYS 44 3.931 -10.029 5.555 433 HZ1 LYS 44 HZ1 LYS 44 4.825 -8.552 7.209 434 HZ2 LYS 44 HZ2 LYS 44 5.152 -9.722 8.250 435 HZ3 LYS 44 HZ3 LYS 44 3.574 -9.347 7.901 436 HA PRO 45 HA PRO 45 8.603 -15.818 2.204 437 HB2 PRO 45 HB3 PRO 45 9.261 -14.724 -0.170 438 HB3 PRO 45 HB2 PRO 45 7.856 -15.822 -0.004 439 HG2 PRO 45 HG3 PRO 45 7.853 -12.791 -0.073 440 HG3 PRO 45 HG2 PRO 45 6.801 -13.922 -0.977 441 HD2 PRO 45 HD3 PRO 45 6.087 -12.714 1.412 442 HD3 PRO 45 HD2 PRO 45 5.448 -14.291 0.871 443 H LYS 46 H LYS 46 8.129 -12.364 2.458 444 HA LYS 46 HA LYS 46 10.983 -11.908 3.196 445 HB2 LYS 46 HB3 LYS 46 10.623 -9.535 2.539 446 HB3 LYS 46 HB2 LYS 46 10.699 -10.725 1.266 447 HG2 LYS 46 HG3 LYS 46 9.103 -9.026 0.769 448 HG3 LYS 46 HG2 LYS 46 8.318 -10.594 0.851 449 HD2 LYS 46 HD3 LYS 46 7.242 -10.028 2.936 450 HD3 LYS 46 HD2 LYS 46 8.289 -8.611 3.143 451 HE2 LYS 46 HE3 LYS 46 5.939 -8.054 2.479 452 HE3 LYS 46 HE2 LYS 46 7.219 -7.355 1.494 453 HZ1 LYS 46 HZ1 LYS 46 5.661 -9.763 0.687 454 HZ2 LYS 46 HZ2 LYS 46 6.806 -8.957 -0.208 455 HZ3 LYS 46 HZ3 LYS 46 5.394 -8.247 0.156 456 H THR 47 H THR 47 9.437 -13.024 4.980 457 HA THR 47 HA THR 47 8.730 -12.951 7.149 458 HB THR 47 HB THR 47 10.509 -12.121 8.640 459 HG1 THR 47 HG1 THR 47 12.387 -11.326 7.634 460 HG21 THR 47 HG21 THR 47 11.522 -13.648 6.199 461 HG22 THR 47 HG22 THR 47 10.613 -14.360 7.552 462 HG23 THR 47 HG23 THR 47 12.216 -13.664 7.834 463 H ASN 48 H ASN 48 10.012 -9.665 7.381 464 HA ASN 48 HA ASN 48 9.416 -8.277 9.128 465 HB2 ASN 48 HB3 ASN 48 7.886 -6.594 8.338 466 HB3 ASN 48 HB2 ASN 48 9.020 -7.105 7.106 467 HD21 ASN 48 HD21 ASN 48 8.142 -8.752 5.493 468 HD22 ASN 48 HD22 ASN 48 6.502 -8.387 4.939 Start of MODEL 4 1 H5' G 1 H5' G 1 -6.647 1.270 -8.329 2 H5'' G 1 H5'' G 1 -8.082 0.458 -7.696 3 H4' G 1 H4' G 1 -8.807 2.444 -6.529 4 H3' G 1 H3' G 1 -7.522 4.056 -8.381 5 H2' G 1 H2' G 1 -5.376 3.176 -7.772 6 HO2' G 1 HO2' G 1 -4.275 4.949 -7.209 7 H1' G 1 H1' G 1 -6.296 3.714 -4.934 8 H8 G 1 H8 G 1 -3.256 2.722 -6.848 9 H1 G 1 H1 G 1 -3.058 1.442 -0.551 10 H21 G 1 H21 G 1 -5.168 1.554 0.272 11 H22 G 1 H22 G 1 -6.506 1.871 -0.798 12 HO5' G 1 HO5' G 1 -8.385 1.104 -9.882 13 H5' G 2 H5' G 2 -8.510 4.454 -4.226 14 H5'' G 2 H5'' G 2 -9.733 3.286 -3.819 15 H4' G 2 H4' G 2 -11.002 4.744 -2.553 16 H3' G 2 H3' G 2 -10.813 6.871 -4.153 17 H2' G 2 H2' G 2 -8.442 6.883 -4.239 18 HO2' G 2 HO2' G 2 -7.729 8.808 -3.288 19 H1' G 2 H1' G 2 -8.231 6.889 -1.238 20 H8 G 2 H8 G 2 -6.470 6.249 -4.542 21 H1 G 2 H1 G 2 -3.138 4.436 0.664 22 H21 G 2 H21 G 2 -4.411 4.874 2.477 23 H22 G 2 H22 G 2 -6.013 5.527 2.237 24 H5' A 3 H5' A 3 -11.992 6.531 0.843 25 H5'' A 3 H5'' A 3 -10.872 5.499 -0.062 26 H4' A 3 H4' A 3 -13.424 4.664 1.377 27 H3' A 3 H3' A 3 -10.485 4.307 1.910 28 H2' A 3 H2' A 3 -10.829 2.076 2.690 29 HO2' A 3 HO2' A 3 -12.730 2.430 3.907 30 H1' A 3 H1' A 3 -12.513 1.288 0.714 31 H8 A 3 H8 A 3 -9.013 2.538 1.333 32 H61 A 3 H61 A 3 -7.869 0.531 -4.484 33 H62 A 3 H62 A 3 -7.048 1.164 -3.070 34 H2 A 3 H2 A 3 -12.073 0.264 -3.872 35 H5' G 4 H5' G 4 -7.793 4.151 3.801 36 H5'' G 4 H5'' G 4 -9.138 3.017 3.731 37 H4' G 4 H4' G 4 -9.073 3.192 6.372 38 H3' G 4 H3' G 4 -6.554 4.530 5.569 39 H2' G 4 H2' G 4 -5.074 3.079 6.650 40 HO2' G 4 HO2' G 4 -5.704 1.542 8.202 41 H1' G 4 H1' G 4 -6.242 0.691 6.145 42 H8 G 4 H8 G 4 -7.283 1.659 2.951 43 H1 G 4 H1 G 4 -0.857 1.846 3.144 44 H21 G 4 H21 G 4 -0.205 1.732 5.316 45 H22 G 4 H22 G 4 -1.415 1.621 6.594 46 H5' G 5 H5' G 5 -5.067 3.980 9.275 47 H5'' G 5 H5'' G 5 -4.957 5.511 10.138 48 H4' G 5 H4' G 5 -2.860 4.132 10.089 49 H3' G 5 H3' G 5 -2.949 6.863 10.145 50 H2' G 5 H2' G 5 -3.143 7.043 7.740 51 HO2' G 5 HO2' G 5 -1.158 7.955 7.000 52 H1' G 5 H1' G 5 -0.768 5.168 7.590 53 H8 G 5 H8 G 5 -4.255 5.475 5.827 54 H1 G 5 H1 G 5 0.898 4.861 1.998 55 H21 G 5 H21 G 5 2.721 5.082 3.232 56 H22 G 5 H22 G 5 2.623 5.115 4.959 57 H5' A 6 H5' A 6 -0.199 3.341 9.789 58 H5'' A 6 H5'' A 6 -1.057 2.718 11.204 59 H4' A 6 H4' A 6 1.514 2.290 12.009 60 H3' A 6 H3' A 6 2.162 2.900 9.426 61 H2' A 6 H2' A 6 0.508 1.463 8.455 62 HO2' A 6 HO2' A 6 3.019 0.168 8.659 63 H1' A 6 H1' A 6 1.456 -0.723 10.324 64 H8 A 6 H8 A 6 0.019 -2.800 10.029 65 H61 A 6 H61 A 6 -5.919 -1.189 8.794 66 H62 A 6 H62 A 6 -4.943 -2.592 9.259 67 H2 A 6 H2 A 6 -3.541 2.232 8.141 68 H5' G 7 H5' G 7 5.806 0.812 8.637 69 H5'' G 7 H5'' G 7 7.030 1.883 9.323 70 H4' G 7 H4' G 7 7.578 2.113 7.125 71 H3' G 7 H3' G 7 6.309 4.412 8.012 72 H2' G 7 H2' G 7 4.172 3.487 7.271 73 HO2' G 7 HO2' G 7 4.076 5.591 6.593 74 H1' G 7 H1' G 7 5.720 2.997 4.716 75 H8 G 7 H8 G 7 2.412 2.193 6.559 76 H1 G 7 H1 G 7 2.398 1.463 0.159 77 H21 G 7 H21 G 7 4.502 1.402 -0.573 78 H22 G 7 H22 G 7 5.829 1.657 0.542 79 H5' G 8 H5' G 8 9.761 3.650 4.582 80 H5'' G 8 H5'' G 8 11.118 4.760 4.782 81 H4' G 8 H4' G 8 10.845 4.479 2.444 82 H3' G 8 H3' G 8 10.564 7.095 3.366 83 H2' G 8 H2' G 8 8.150 6.913 3.475 84 HO2' G 8 HO2' G 8 8.987 7.974 0.997 85 H1' G 8 H1' G 8 8.420 5.585 0.743 86 H8 G 8 H8 G 8 6.154 5.924 3.881 87 H1 G 8 H1 G 8 3.125 4.469 -1.587 88 H21 G 8 H21 G 8 4.669 4.430 -3.245 89 H22 G 8 H22 G 8 6.386 4.539 -2.842 90 H5' A 9 H5' A 9 11.525 6.495 -2.417 91 H5'' A 9 H5'' A 9 10.387 6.266 -1.103 92 H4' A 9 H4' A 9 12.765 4.432 -1.672 93 H3' A 9 H3' A 9 9.832 4.175 -2.434 94 H2' A 9 H2' A 9 10.218 1.816 -2.461 95 HO2' A 9 HO2' A 9 12.230 1.834 -3.565 96 H1' A 9 H1' A 9 11.965 1.937 -0.236 97 H8 A 9 H8 A 9 8.295 2.320 -1.318 98 H61 A 9 H61 A 9 7.097 0.797 4.637 99 H62 A 9 H62 A 9 6.288 1.084 3.101 100 H2 A 9 H2 A 9 11.334 1.071 4.236 101 H5' G 10 H5' G 10 7.163 3.510 -4.455 102 H5'' G 10 H5'' G 10 8.381 2.264 -4.190 103 H4' G 10 H4' G 10 8.559 2.282 -6.831 104 H3' G 10 H3' G 10 6.352 4.093 -6.447 105 H2' G 10 H2' G 10 4.493 2.811 -6.767 106 HO2' G 10 HO2' G 10 5.863 2.107 -8.939 107 H1' G 10 H1' G 10 5.368 0.182 -6.534 108 H8 G 10 H8 G 10 6.646 0.965 -3.362 109 H1 G 10 H1 G 10 0.239 1.351 -3.322 110 H21 G 10 H21 G 10 -0.491 1.802 -5.420 111 H22 G 10 H22 G 10 0.687 1.974 -6.713 112 H5' G 11 H5' G 11 4.247 3.845 -9.923 113 H5'' G 11 H5'' G 11 4.833 5.213 -10.880 114 H4' G 11 H4' G 11 2.478 5.428 -10.725 115 H3' G 11 H3' G 11 4.106 7.531 -10.002 116 H2' G 11 H2' G 11 4.118 7.003 -7.690 117 HO2' G 11 HO2' G 11 2.064 8.882 -8.195 118 H1' G 11 H1' G 11 1.122 6.552 -7.810 119 H8 G 11 H8 G 11 4.451 5.387 -6.200 120 H1 G 11 H1 G 11 -0.898 4.338 -2.753 121 H21 G 11 H21 G 11 -2.648 5.070 -3.897 122 H22 G 11 H22 G 11 -2.393 5.906 -5.415 123 H5' A 12 H5' A 12 -1.055 6.139 -12.562 124 H5'' A 12 H5'' A 12 -0.992 7.784 -11.950 125 H4' A 12 H4' A 12 -0.469 5.306 -10.243 126 H3' A 12 H3' A 12 -3.027 6.840 -10.812 127 HO3' A 12 HO3' A 12 -2.911 4.851 -11.895 128 H2' A 12 H2' A 12 -3.754 6.441 -8.624 129 HO2' A 12 HO2' A 12 -1.671 4.507 -8.494 130 H1' A 12 H1' A 12 -1.210 6.622 -7.438 131 H8 A 12 H8 A 12 -2.402 9.185 -9.965 132 H61 A 12 H61 A 12 -4.838 11.997 -4.880 133 H62 A 12 H62 A 12 -4.616 12.221 -6.613 134 H2 A 12 H2 A 12 -3.098 8.241 -3.657 135 H5' G 13 H5' G 13 -7.768 -1.067 8.124 136 H5'' G 13 H5'' G 13 -8.823 0.076 7.287 137 H4' G 13 H4' G 13 -9.428 -1.594 5.629 138 H3' G 13 H3' G 13 -8.779 -3.613 7.498 139 H2' G 13 H2' G 13 -6.432 -3.124 7.275 140 HO2' G 13 HO2' G 13 -6.698 -5.397 6.891 141 H1' G 13 H1' G 13 -7.111 -3.001 4.323 142 H8 G 13 H8 G 13 -4.154 -2.534 6.721 143 H1 G 13 H1 G 13 -3.006 -1.274 0.516 144 H21 G 13 H21 G 13 -5.012 -1.397 -0.602 145 H22 G 13 H22 G 13 -6.479 -1.680 0.301 146 HO5' G 13 HO5' G 13 -10.617 -1.305 7.862 147 H5' G 14 H5' G 14 -11.425 -6.850 4.114 148 H5'' G 14 H5'' G 14 -9.728 -6.361 4.102 149 H4' G 14 H4' G 14 -11.651 -6.003 1.753 150 H3' G 14 H3' G 14 -10.739 -8.453 2.488 151 H2' G 14 H2' G 14 -8.505 -7.670 2.966 152 HO2' G 14 HO2' G 14 -7.959 -9.446 1.840 153 H1' G 14 H1' G 14 -8.521 -6.430 0.212 154 H8 G 14 H8 G 14 -7.250 -5.834 3.869 155 H1 G 14 H1 G 14 -3.226 -4.396 -0.948 156 H21 G 14 H21 G 14 -4.287 -4.875 -2.907 157 H22 G 14 H22 G 14 -5.954 -5.430 -2.848 158 H5' A 15 H5' A 15 -11.345 -6.920 -2.519 159 H5'' A 15 H5'' A 15 -10.506 -6.036 -1.231 160 H4' A 15 H4' A 15 -12.944 -5.064 -2.784 161 H3' A 15 H3' A 15 -9.988 -4.475 -2.976 162 H2' A 15 H2' A 15 -10.483 -2.199 -3.499 163 HO2' A 15 HO2' A 15 -12.239 -2.557 -4.923 164 H1' A 15 H1' A 15 -12.441 -1.882 -1.617 165 H8 A 15 H8 A 15 -8.741 -2.788 -1.978 166 H61 A 15 H61 A 15 -8.346 -0.552 3.851 167 H62 A 15 H62 A 15 -7.359 -1.174 2.539 168 H2 A 15 H2 A 15 -12.489 -0.676 2.835 169 H5' G 16 H5' G 16 -7.207 -3.686 -4.509 170 H5'' G 16 H5'' G 16 -8.657 -2.686 -4.556 171 H4' G 16 H4' G 16 -8.274 -2.562 -7.123 172 H3' G 16 H3' G 16 -5.853 -4.022 -6.244 173 H2' G 16 H2' G 16 -4.251 -2.522 -7.025 174 HO2' G 16 HO2' G 16 -4.654 -0.857 -8.505 175 H1' G 16 H1' G 16 -5.424 -0.162 -6.379 176 H8 G 16 H8 G 16 -6.782 -1.523 -3.438 177 H1 G 16 H1 G 16 -0.368 -1.736 -3.016 178 H21 G 16 H21 G 16 0.495 -1.564 -5.100 179 H22 G 16 H22 G 16 -0.568 -1.297 -6.480 180 H5' G 17 H5' G 17 -3.933 -3.316 -9.619 181 H5'' G 17 H5'' G 17 -3.827 -4.778 -10.600 182 H4' G 17 H4' G 17 -1.649 -3.676 -10.248 183 H3' G 17 H3' G 17 -1.999 -6.404 -10.243 184 H2' G 17 H2' G 17 -2.414 -6.526 -7.903 185 HO2' G 17 HO2' G 17 -0.556 -7.511 -6.935 186 H1' G 17 H1' G 17 0.031 -4.786 -7.490 187 H8 G 17 H8 G 17 -3.676 -4.876 -6.239 188 H1 G 17 H1 G 17 0.866 -5.101 -1.697 189 H21 G 17 H21 G 17 2.838 -5.551 -2.735 190 H22 G 17 H22 G 17 2.978 -5.298 -4.463 191 H5' A 18 H5' A 18 0.833 -3.073 -9.741 192 H5'' A 18 H5'' A 18 0.207 -2.460 -11.278 193 H4' A 18 H4' A 18 2.802 -2.099 -11.805 194 H3' A 18 H3' A 18 3.283 -2.896 -9.244 195 H2' A 18 H2' A 18 1.598 -1.431 -8.330 196 HO2' A 18 HO2' A 18 3.993 0.126 -8.141 197 H1' A 18 H1' A 18 2.896 0.765 -9.969 198 H8 A 18 H8 A 18 1.675 2.953 -9.752 199 H61 A 18 H61 A 18 -4.485 1.952 -9.399 200 H62 A 18 H62 A 18 -3.295 3.233 -9.692 201 H2 A 18 H2 A 18 -2.556 -1.667 -8.252 202 H5' G 19 H5' G 19 7.794 -1.114 -7.360 203 H5'' G 19 H5'' G 19 8.050 -2.563 -8.335 204 H4' G 19 H4' G 19 8.346 -3.170 -6.028 205 H3' G 19 H3' G 19 6.456 -4.364 -7.752 206 H2' G 19 H2' G 19 4.644 -3.581 -6.752 207 HO2' G 19 HO2' G 19 5.174 -5.681 -4.924 208 H1' G 19 H1' G 19 5.996 -3.766 -4.038 209 H8 G 19 H8 G 19 3.164 -2.204 -6.108 210 H1 G 19 H1 G 19 2.554 -1.933 0.281 211 H21 G 19 H21 G 19 4.570 -2.064 1.218 212 H22 G 19 H22 G 19 5.982 -2.391 0.244 213 H5' G 20 H5' G 20 8.095 -3.914 -3.248 214 H5'' G 20 H5'' G 20 9.846 -3.868 -3.276 215 H4' G 20 H4' G 20 9.743 -4.621 -1.227 216 H3' G 20 H3' G 20 10.080 -6.989 -2.694 217 H2' G 20 H2' G 20 7.752 -7.553 -2.581 218 HO2' G 20 HO2' G 20 9.177 -8.694 -0.445 219 H1' G 20 H1' G 20 7.828 -6.607 0.306 220 H8 G 20 H8 G 20 5.558 -7.633 -2.599 221 H1 G 20 H1 G 20 2.427 -4.625 2.138 222 H21 G 20 H21 G 20 3.754 -4.598 3.871 223 H22 G 20 H22 G 20 5.390 -5.130 3.825 224 H5' A 21 H5' A 21 10.227 -5.845 2.163 225 H5'' A 21 H5'' A 21 10.403 -4.635 0.886 226 H4' A 21 H4' A 21 12.448 -4.683 3.091 227 H3' A 21 H3' A 21 9.598 -4.045 3.515 228 H2' A 21 H2' A 21 9.818 -1.761 4.028 229 HO2' A 21 HO2' A 21 11.538 -1.977 5.512 230 H1' A 21 H1' A 21 11.675 -1.020 2.230 231 H8 A 21 H8 A 21 8.230 -2.389 2.560 232 H61 A 21 H61 A 21 7.662 -1.274 -3.578 233 H62 A 21 H62 A 21 6.708 -1.692 -2.161 234 H2 A 21 H2 A 21 11.786 -0.758 -2.570 235 H5' G 22 H5' G 22 6.955 -3.806 5.319 236 H5'' G 22 H5'' G 22 8.222 -2.588 5.402 237 H4' G 22 H4' G 22 7.981 -2.697 7.954 238 H3' G 22 H3' G 22 6.405 -4.889 7.609 239 H2' G 22 H2' G 22 4.701 -4.026 6.325 240 HO2' G 22 HO2' G 22 3.790 -4.229 8.659 241 H1' G 22 H1' G 22 4.500 -1.325 7.480 242 H8 G 22 H8 G 22 6.382 -1.637 4.227 243 H1 G 22 H1 G 22 0.006 -1.441 3.434 244 H21 G 22 H21 G 22 -1.001 -1.669 5.449 245 H22 G 22 H22 G 22 0.010 -1.836 6.879 246 H5' G 23 H5' G 23 3.056 -3.895 10.714 247 H5'' G 23 H5'' G 23 3.309 -5.286 11.769 248 H4' G 23 H4' G 23 1.050 -5.334 11.083 249 H3' G 23 H3' G 23 2.701 -7.549 10.617 250 H2' G 23 H2' G 23 2.900 -7.063 8.310 251 HO2' G 23 HO2' G 23 0.672 -8.784 8.721 252 H1' G 23 H1' G 23 -0.063 -6.362 8.322 253 H8 G 23 H8 G 23 3.331 -5.794 6.549 254 H1 G 23 H1 G 23 -1.849 -4.349 3.023 255 H21 G 23 H21 G 23 -3.699 -4.962 4.148 256 H22 G 23 H22 G 23 -3.536 -5.691 5.733 257 H5' A 24 H5' A 24 -0.448 -5.447 12.563 258 H5'' A 24 H5'' A 24 -1.921 -5.807 13.436 259 H4' A 24 H4' A 24 -2.236 -4.429 11.409 260 H3' A 24 H3' A 24 -3.703 -7.068 11.529 261 HO3' A 24 HO3' A 24 -5.419 -5.497 12.093 262 H2' A 24 H2' A 24 -4.908 -6.304 9.566 263 HO2' A 24 HO2' A 24 -3.391 -3.895 9.723 264 H1' A 24 H1' A 24 -2.658 -5.487 8.241 265 H8 A 24 H8 A 24 -1.861 -8.496 10.377 266 H61 A 24 H61 A 24 -4.722 -11.776 5.853 267 H62 A 24 H62 A 24 -3.786 -11.966 7.335 268 H2 A 24 H2 A 24 -5.206 -7.591 4.958 269 H1 GLY 25 H1 GLY 25 -8.441 10.941 1.833 270 H2 GLY 25 H2 GLY 25 -8.253 9.416 1.263 271 H3 GLY 25 H3 GLY 25 -7.145 10.574 0.896 272 HA2 GLY 25 HA3 GLY 25 -6.475 10.752 3.210 273 HA3 GLY 25 HA2 GLY 25 -7.667 9.500 3.597 274 H GLN 26 H GLN 26 -4.587 10.169 1.993 275 HA GLN 26 HA GLN 26 -3.840 7.298 2.028 276 HB2 GLN 26 HB3 GLN 26 -2.939 7.565 -0.201 277 HB3 GLN 26 HB2 GLN 26 -4.645 7.908 -0.204 278 HG2 GLN 26 HG3 GLN 26 -2.681 10.219 -0.051 279 HG3 GLN 26 HG2 GLN 26 -2.946 9.383 -1.565 280 HE21 GLN 26 HE21 GLN 26 -4.409 10.474 -2.895 281 HE22 GLN 26 HE22 GLN 26 -5.783 11.365 -2.244 282 H TRP 27 H TRP 27 -1.302 7.911 0.817 283 HA TRP 27 HA TRP 27 0.356 8.372 3.064 284 HB2 TRP 27 HB3 TRP 27 2.147 8.357 1.198 285 HB3 TRP 27 HB2 TRP 27 1.192 6.943 1.505 286 HD1 TRP 27 HD1 TRP 27 -0.875 6.408 -0.274 287 HE1 TRP 27 HE1 TRP 27 -1.110 6.885 -2.754 288 HE3 TRP 27 HE3 TRP 27 3.084 9.566 -0.825 289 HZ2 TRP 27 HZ2 TRP 27 0.423 8.202 -4.810 290 HZ3 TRP 27 HZ3 TRP 27 3.686 10.399 -3.059 291 HH2 TRP 27 HH2 TRP 27 2.423 9.676 -5.077 292 H ASN 28 H ASN 28 1.268 10.321 0.270 293 HA ASN 28 HA ASN 28 0.934 12.779 1.933 294 HB2 ASN 28 HB3 ASN 28 3.027 13.673 1.243 295 HB3 ASN 28 HB2 ASN 28 3.235 12.130 2.058 296 HD21 ASN 28 HD21 ASN 28 2.675 13.196 -1.337 297 HD22 ASN 28 HD22 ASN 28 3.945 12.146 -1.982 298 H LYS 29 H LYS 29 -0.891 11.742 -0.013 299 HA LYS 29 HA LYS 29 -2.358 12.593 -1.594 300 HB2 LYS 29 HB3 LYS 29 -1.734 15.095 0.027 301 HB3 LYS 29 HB2 LYS 29 -3.167 14.803 -0.956 302 HG2 LYS 29 HG3 LYS 29 -4.043 14.209 1.050 303 HG3 LYS 29 HG2 LYS 29 -3.432 12.644 0.537 304 HD2 LYS 29 HD3 LYS 29 -1.294 13.272 1.933 305 HD3 LYS 29 HD2 LYS 29 -2.295 14.551 2.617 306 HE2 LYS 29 HE3 LYS 29 -3.917 12.895 3.416 307 HE3 LYS 29 HE2 LYS 29 -3.071 11.603 2.543 308 HZ1 LYS 29 HZ1 LYS 29 -1.876 13.120 4.799 309 HZ2 LYS 29 HZ2 LYS 29 -1.180 11.862 3.989 310 HZ3 LYS 29 HZ3 LYS 29 -2.498 11.607 4.897 311 HA PRO 30 HA PRO 30 1.599 13.072 -4.209 312 HB2 PRO 30 HB3 PRO 30 -0.807 13.860 -5.855 313 HB3 PRO 30 HB2 PRO 30 0.752 13.171 -6.443 314 HG2 PRO 30 HG3 PRO 30 -1.394 11.605 -5.657 315 HG3 PRO 30 HG2 PRO 30 0.299 11.073 -5.492 316 HD2 PRO 30 HD3 PRO 30 -1.570 11.605 -3.372 317 HD3 PRO 30 HD2 PRO 30 0.147 11.154 -3.210 318 H SER 31 H SER 31 1.226 15.166 -2.274 319 HA SER 31 HA SER 31 2.392 17.473 -3.763 320 HB2 SER 31 HB3 SER 31 1.811 17.064 -0.807 321 HB3 SER 31 HB2 SER 31 2.545 18.515 -1.520 322 HG SER 31 HG SER 31 0.271 18.729 -1.246 323 H LYS 32 H LYS 32 3.837 15.472 -4.425 324 HA LYS 32 HA LYS 32 5.129 13.886 -2.590 325 HB2 LYS 32 HB3 LYS 32 6.002 14.383 -5.450 326 HB3 LYS 32 HB2 LYS 32 6.425 12.991 -4.443 327 HG2 LYS 32 HG3 LYS 32 3.937 12.489 -4.239 328 HG3 LYS 32 HG2 LYS 32 3.638 13.789 -5.391 329 HD2 LYS 32 HD3 LYS 32 3.524 11.740 -6.577 330 HD3 LYS 32 HD2 LYS 32 4.995 12.579 -7.098 331 HE2 LYS 32 HE3 LYS 32 6.366 11.133 -5.655 332 HE3 LYS 32 HE2 LYS 32 4.922 10.382 -4.971 333 HZ1 LYS 32 HZ1 LYS 32 5.989 9.058 -6.699 334 HZ2 LYS 32 HZ2 LYS 32 5.680 10.199 -7.831 335 HZ3 LYS 32 HZ3 LYS 32 4.427 9.414 -7.112 336 HA PRO 33 HA PRO 33 8.457 16.655 -1.348 337 HB2 PRO 33 HB3 PRO 33 8.894 14.643 0.829 338 HB3 PRO 33 HB2 PRO 33 8.676 16.414 0.945 339 HG2 PRO 33 HG3 PRO 33 6.672 14.723 1.651 340 HG3 PRO 33 HG2 PRO 33 6.311 16.217 0.721 341 HD2 PRO 33 HD3 PRO 33 6.688 13.398 -0.348 342 HD3 PRO 33 HD2 PRO 33 5.356 14.547 -0.640 343 H LYS 34 H LYS 34 8.838 13.129 -1.546 344 HA LYS 34 HA LYS 34 11.776 13.387 -1.896 345 HB2 LYS 34 HB3 LYS 34 12.024 11.191 -1.188 346 HB3 LYS 34 HB2 LYS 34 10.943 11.967 -0.061 347 HG2 LYS 34 HG3 LYS 34 10.050 10.092 -2.312 348 HG3 LYS 34 HG2 LYS 34 10.458 9.563 -0.696 349 HD2 LYS 34 HD3 LYS 34 8.081 11.309 -1.444 350 HD3 LYS 34 HD2 LYS 34 8.087 9.622 -0.942 351 HE2 LYS 34 HE3 LYS 34 9.298 10.535 1.222 352 HE3 LYS 34 HE2 LYS 34 8.617 12.090 0.741 353 HZ1 LYS 34 HZ1 LYS 34 6.383 10.889 0.723 354 HZ2 LYS 34 HZ2 LYS 34 7.088 10.968 2.205 355 HZ3 LYS 34 HZ3 LYS 34 7.162 9.582 1.360 356 H THR 35 H THR 35 9.158 12.951 -3.892 357 HA THR 35 HA THR 35 8.807 12.291 -6.025 358 HB THR 35 HB THR 35 10.285 13.362 -7.652 359 HG1 THR 35 HG1 THR 35 12.073 14.487 -6.922 360 HG21 THR 35 HG21 THR 35 8.575 14.667 -6.398 361 HG22 THR 35 HG22 THR 35 9.976 15.634 -6.880 362 HG23 THR 35 HG23 THR 35 9.813 15.100 -5.196 363 H ASN 36 H ASN 36 10.223 10.122 -4.558 364 HA ASN 36 HA ASN 36 11.056 8.038 -4.898 365 HB2 ASN 36 HB3 ASN 36 9.355 8.273 -7.406 366 HB3 ASN 36 HB2 ASN 36 9.914 6.775 -6.684 367 HD21 ASN 36 HD21 ASN 36 8.859 5.975 -4.793 368 HD22 ASN 36 HD22 ASN 36 7.447 6.792 -4.128 369 H1 GLY 37 H1 GLY 37 -9.112 -9.320 -0.477 370 H2 GLY 37 H2 GLY 37 -9.847 -10.513 -1.333 371 H3 GLY 37 H3 GLY 37 -9.355 -9.144 -2.088 372 HA2 GLY 37 HA3 GLY 37 -7.579 -11.142 -0.849 373 HA3 GLY 37 HA2 GLY 37 -7.834 -10.936 -2.595 374 H GLN 38 H GLN 38 -5.528 -10.533 -0.536 375 HA GLN 38 HA GLN 38 -4.807 -7.718 -1.139 376 HB2 GLN 38 HB3 GLN 38 -3.706 -7.659 0.938 377 HB3 GLN 38 HB2 GLN 38 -5.326 -8.222 1.174 378 HG2 GLN 38 HG3 GLN 38 -2.978 -10.173 1.116 379 HG3 GLN 38 HG2 GLN 38 -3.456 -9.295 2.555 380 HE21 GLN 38 HE21 GLN 38 -4.962 -10.304 3.912 381 HE22 GLN 38 HE22 GLN 38 -5.985 -11.619 3.340 382 H TRP 39 H TRP 39 -2.066 -8.483 -0.013 383 HA TRP 39 HA TRP 39 -0.687 -8.436 -2.528 384 HB2 TRP 39 HB3 TRP 39 1.318 -8.340 -0.772 385 HB3 TRP 39 HB2 TRP 39 0.240 -7.023 -1.082 386 HD1 TRP 39 HD1 TRP 39 -1.745 -6.523 0.600 387 HE1 TRP 39 HE1 TRP 39 -2.097 -7.019 3.098 388 HE3 TRP 39 HE3 TRP 39 2.418 -9.314 1.431 389 HZ2 TRP 39 HZ2 TRP 39 -0.589 -8.231 5.241 390 HZ3 TRP 39 HZ3 TRP 39 3.005 -10.058 3.725 391 HH2 TRP 39 HH2 TRP 39 1.502 -9.527 5.641 392 H ASN 40 H ASN 40 1.056 -10.270 -0.171 393 HA ASN 40 HA ASN 40 1.005 -12.619 -1.984 394 HB2 ASN 40 HB3 ASN 40 3.064 -13.331 -0.960 395 HB3 ASN 40 HB2 ASN 40 3.192 -11.680 -1.549 396 HD21 ASN 40 HD21 ASN 40 2.195 -13.294 1.509 397 HD22 ASN 40 HD22 ASN 40 3.072 -12.148 2.534 398 H LYS 41 H LYS 41 -1.194 -11.957 -0.097 399 HA LYS 41 HA LYS 41 -2.595 -12.943 1.446 400 HB2 LYS 41 HB3 LYS 41 -1.911 -15.294 -0.359 401 HB3 LYS 41 HB2 LYS 41 -3.268 -15.223 0.768 402 HG2 LYS 41 HG3 LYS 41 -4.375 -14.534 -1.087 403 HG3 LYS 41 HG2 LYS 41 -3.851 -12.974 -0.467 404 HD2 LYS 41 HD3 LYS 41 -1.796 -13.284 -2.080 405 HD3 LYS 41 HD2 LYS 41 -2.770 -14.552 -2.827 406 HE2 LYS 41 HE3 LYS 41 -4.565 -12.967 -3.306 407 HE3 LYS 41 HE2 LYS 41 -3.785 -11.723 -2.312 408 HZ1 LYS 41 HZ1 LYS 41 -1.963 -11.645 -3.869 409 HZ2 LYS 41 HZ2 LYS 41 -3.356 -11.322 -4.644 410 HZ3 LYS 41 HZ3 LYS 41 -2.647 -12.791 -4.839 411 HA PRO 42 HA PRO 42 1.277 -13.189 4.137 412 HB2 PRO 42 HB3 PRO 42 -1.041 -14.421 5.613 413 HB3 PRO 42 HB2 PRO 42 0.360 -13.516 6.293 414 HG2 PRO 42 HG3 PRO 42 -2.045 -12.361 5.371 415 HG3 PRO 42 HG2 PRO 42 -0.506 -11.470 5.546 416 HD2 PRO 42 HD3 PRO 42 -1.872 -11.923 3.130 417 HD3 PRO 42 HD2 PRO 42 -0.169 -11.426 3.272 418 H SER 43 H SER 43 1.168 -15.246 2.027 419 HA SER 43 HA SER 43 2.840 -17.295 3.363 420 HB2 SER 43 HB3 SER 43 2.421 -16.609 0.429 421 HB3 SER 43 HB2 SER 43 3.430 -17.933 1.045 422 HG SER 43 HG SER 43 1.308 -18.631 0.482 423 H LYS 44 H LYS 44 3.760 -15.256 4.480 424 HA LYS 44 HA LYS 44 5.004 -13.165 3.112 425 HB2 LYS 44 HB3 LYS 44 5.569 -14.050 5.959 426 HB3 LYS 44 HB2 LYS 44 5.874 -12.458 5.252 427 HG2 LYS 44 HG3 LYS 44 3.360 -12.318 4.763 428 HG3 LYS 44 HG2 LYS 44 3.175 -13.800 5.702 429 HD2 LYS 44 HD3 LYS 44 2.579 -11.998 7.115 430 HD3 LYS 44 HD2 LYS 44 4.135 -12.621 7.699 431 HE2 LYS 44 HE3 LYS 44 5.318 -10.793 6.563 432 HE3 LYS 44 HE2 LYS 44 3.823 -10.237 5.809 433 HZ1 LYS 44 HZ1 LYS 44 2.995 -9.601 7.969 434 HZ2 LYS 44 HZ2 LYS 44 4.449 -8.916 7.672 435 HZ3 LYS 44 HZ3 LYS 44 4.343 -10.183 8.730 436 HA PRO 45 HA PRO 45 8.689 -15.334 1.794 437 HB2 PRO 45 HB3 PRO 45 9.467 -12.663 0.636 438 HB3 PRO 45 HB2 PRO 45 9.460 -14.278 -0.135 439 HG2 PRO 45 HG3 PRO 45 7.483 -12.508 -0.662 440 HG3 PRO 45 HG2 PRO 45 7.079 -14.234 -0.367 441 HD2 PRO 45 HD3 PRO 45 6.952 -11.919 1.591 442 HD3 PRO 45 HD2 PRO 45 5.730 -13.171 1.220 443 H LYS 46 H LYS 46 9.169 -12.057 3.143 444 HA LYS 46 HA LYS 46 11.563 -12.994 4.665 445 HB2 LYS 46 HB3 LYS 46 12.798 -10.964 4.064 446 HB3 LYS 46 HB2 LYS 46 12.442 -11.995 2.708 447 HG2 LYS 46 HG3 LYS 46 12.251 -9.738 1.994 448 HG3 LYS 46 HG2 LYS 46 10.668 -10.485 1.929 449 HD2 LYS 46 HD3 LYS 46 10.523 -8.179 2.675 450 HD3 LYS 46 HD2 LYS 46 9.977 -9.266 3.945 451 HE2 LYS 46 HE3 LYS 46 12.390 -9.041 4.897 452 HE3 LYS 46 HE2 LYS 46 12.591 -7.703 3.761 453 HZ1 LYS 46 HZ1 LYS 46 11.814 -7.005 6.009 454 HZ2 LYS 46 HZ2 LYS 46 10.442 -7.860 5.828 455 HZ3 LYS 46 HZ3 LYS 46 10.754 -6.567 4.869 456 H THR 47 H THR 47 8.843 -12.568 5.562 457 HA THR 47 HA THR 47 7.445 -11.391 6.883 458 HB THR 47 HB THR 47 8.178 -10.257 8.904 459 HG1 THR 47 HG1 THR 47 10.628 -10.433 7.721 460 HG21 THR 47 HG21 THR 47 9.008 -12.264 10.025 461 HG22 THR 47 HG22 THR 47 9.437 -12.995 8.464 462 HG23 THR 47 HG23 THR 47 7.734 -12.680 8.869 463 H ASN 48 H ASN 48 6.816 -10.317 5.031 464 HA ASN 48 HA ASN 48 7.629 -7.610 4.397 465 HB2 ASN 48 HB3 ASN 48 5.431 -9.510 3.512 466 HB3 ASN 48 HB2 ASN 48 5.278 -7.805 3.155 467 HD21 ASN 48 HD21 ASN 48 5.465 -9.744 1.072 468 HD22 ASN 48 HD22 ASN 48 6.979 -9.339 0.253 Start of MODEL 5 1 H5' G 1 H5' G 1 -7.488 1.169 -8.784 2 H5'' G 1 H5'' G 1 -8.637 0.391 -7.686 3 H4' G 1 H4' G 1 -8.830 2.380 -6.334 4 H3' G 1 H3' G 1 -7.922 3.885 -8.622 5 H2' G 1 H2' G 1 -5.646 3.396 -8.125 6 HO2' G 1 HO2' G 1 -6.525 5.739 -6.852 7 H1' G 1 H1' G 1 -6.555 3.582 -5.228 8 H8 G 1 H8 G 1 -3.433 2.900 -7.297 9 H1 G 1 H1 G 1 -3.054 1.507 -1.024 10 H21 G 1 H21 G 1 -5.175 1.585 -0.170 11 H22 G 1 H22 G 1 -6.520 1.916 -1.228 12 HO5' G 1 HO5' G 1 -10.012 2.391 -8.416 13 H5' G 2 H5' G 2 -10.870 7.336 -5.389 14 H5'' G 2 H5'' G 2 -9.191 6.877 -5.096 15 H4' G 2 H4' G 2 -11.517 6.303 -3.198 16 H3' G 2 H3' G 2 -10.566 8.819 -3.574 17 H2' G 2 H2' G 2 -8.251 8.171 -3.633 18 HO2' G 2 HO2' G 2 -8.915 9.012 -1.022 19 H1' G 2 H1' G 2 -8.697 6.649 -1.044 20 H8 G 2 H8 G 2 -7.007 6.416 -4.518 21 H1 G 2 H1 G 2 -3.432 4.632 0.528 22 H21 G 2 H21 G 2 -4.654 5.075 2.410 23 H22 G 2 H22 G 2 -6.309 5.636 2.227 24 H5' A 3 H5' A 3 -11.893 7.003 1.144 25 H5'' A 3 H5'' A 3 -10.823 6.197 -0.013 26 H4' A 3 H4' A 3 -13.375 5.036 1.188 27 H3' A 3 H3' A 3 -10.432 4.623 1.741 28 H2' A 3 H2' A 3 -10.889 2.328 2.249 29 HO2' A 3 HO2' A 3 -12.814 2.638 3.455 30 H1' A 3 H1' A 3 -12.630 1.930 0.163 31 H8 A 3 H8 A 3 -9.005 3.091 0.831 32 H61 A 3 H61 A 3 -7.934 0.486 -4.769 33 H62 A 3 H62 A 3 -7.110 1.318 -3.458 34 H2 A 3 H2 A 3 -12.143 0.284 -4.057 35 H5' G 4 H5' G 4 -7.800 4.051 3.535 36 H5'' G 4 H5'' G 4 -9.204 2.993 3.420 37 H4' G 4 H4' G 4 -9.086 2.917 6.037 38 H3' G 4 H3' G 4 -6.624 4.394 5.373 39 H2' G 4 H2' G 4 -5.043 2.866 6.155 40 HO2' G 4 HO2' G 4 -6.399 2.538 8.160 41 H1' G 4 H1' G 4 -6.206 0.496 5.557 42 H8 G 4 H8 G 4 -7.299 1.797 2.443 43 H1 G 4 H1 G 4 -0.868 1.697 2.654 44 H21 G 4 H21 G 4 -0.236 1.476 4.827 45 H22 G 4 H22 G 4 -1.474 1.317 6.072 46 H5' G 5 H5' G 5 -5.171 3.456 9.143 47 H5'' G 5 H5'' G 5 -4.944 4.938 10.060 48 H4' G 5 H4' G 5 -2.924 3.468 9.856 49 H3' G 5 H3' G 5 -2.979 6.231 9.938 50 H2' G 5 H2' G 5 -3.083 6.486 7.596 51 HO2' G 5 HO2' G 5 -1.008 7.233 6.881 52 H1' G 5 H1' G 5 -0.869 4.439 7.346 53 H8 G 5 H8 G 5 -4.357 5.116 5.702 54 H1 G 5 H1 G 5 0.694 4.669 1.716 55 H21 G 5 H21 G 5 2.550 4.732 2.935 56 H22 G 5 H22 G 5 2.474 4.665 4.663 57 H5' A 6 H5' A 6 0.661 3.285 9.744 58 H5'' A 6 H5'' A 6 -0.796 2.387 10.206 59 H4' A 6 H4' A 6 1.722 1.897 11.769 60 H3' A 6 H3' A 6 1.921 1.629 8.978 61 H2' A 6 H2' A 6 0.258 0.007 8.764 62 HO2' A 6 HO2' A 6 1.914 -1.311 8.022 63 H1' A 6 H1' A 6 1.141 -1.277 11.342 64 H8 A 6 H8 A 6 -0.296 -3.400 11.366 65 H61 A 6 H61 A 6 -6.207 -2.132 9.633 66 H62 A 6 H62 A 6 -5.203 -3.452 10.262 67 H2 A 6 H2 A 6 -3.831 1.283 8.679 68 H5' G 7 H5' G 7 6.464 0.609 8.481 69 H5'' G 7 H5'' G 7 6.856 2.212 9.100 70 H4' G 7 H4' G 7 7.578 2.023 6.798 71 H3' G 7 H3' G 7 6.171 4.207 7.767 72 H2' G 7 H2' G 7 4.076 3.226 7.008 73 HO2' G 7 HO2' G 7 3.987 5.369 6.306 74 H1' G 7 H1' G 7 5.650 2.819 4.454 75 H8 G 7 H8 G 7 2.409 1.754 6.292 76 H1 G 7 H1 G 7 2.406 1.469 -0.152 77 H21 G 7 H21 G 7 4.539 1.582 -0.882 78 H22 G 7 H22 G 7 5.844 1.762 0.277 79 H5' G 8 H5' G 8 9.488 3.647 4.151 80 H5'' G 8 H5'' G 8 10.875 4.699 4.433 81 H4' G 8 H4' G 8 10.657 4.640 2.099 82 H3' G 8 H3' G 8 10.276 7.175 3.165 83 H2' G 8 H2' G 8 7.868 6.810 3.268 84 HO2' G 8 HO2' G 8 8.099 8.818 2.311 85 H1' G 8 H1' G 8 8.209 5.810 0.418 86 H8 G 8 H8 G 8 6.006 5.286 3.613 87 H1 G 8 H1 G 8 2.841 4.995 -1.968 88 H21 G 8 H21 G 8 4.282 5.501 -3.625 89 H22 G 8 H22 G 8 5.986 5.795 -3.279 90 H5' A 9 H5' A 9 11.473 6.562 -2.602 91 H5'' A 9 H5'' A 9 10.298 6.292 -1.326 92 H4' A 9 H4' A 9 12.823 4.611 -1.712 93 H3' A 9 H3' A 9 9.969 4.170 -2.659 94 H2' A 9 H2' A 9 10.429 1.831 -2.534 95 HO2' A 9 HO2' A 9 12.593 1.965 -3.500 96 H1' A 9 H1' A 9 12.040 2.112 -0.226 97 H8 A 9 H8 A 9 8.393 2.525 -1.468 98 H61 A 9 H61 A 9 7.049 0.812 4.393 99 H62 A 9 H62 A 9 6.279 1.080 2.836 100 H2 A 9 H2 A 9 11.296 0.947 4.074 101 H5' G 10 H5' G 10 7.689 5.273 -4.842 102 H5'' G 10 H5'' G 10 8.184 3.704 -4.206 103 H4' G 10 H4' G 10 8.099 3.771 -7.169 104 H3' G 10 H3' G 10 5.642 4.428 -5.571 105 H2' G 10 H2' G 10 4.319 3.294 -7.232 106 HO2' G 10 HO2' G 10 6.169 3.628 -8.992 107 H1' G 10 H1' G 10 5.759 1.055 -6.871 108 H8 G 10 H8 G 10 6.680 1.641 -3.618 109 H1 G 10 H1 G 10 0.253 1.612 -3.697 110 H21 G 10 H21 G 10 -0.476 2.045 -5.786 111 H22 G 10 H22 G 10 0.694 2.326 -7.063 112 H5' G 11 H5' G 11 3.629 4.419 -10.339 113 H5'' G 11 H5'' G 11 4.344 5.956 -10.838 114 H4' G 11 H4' G 11 1.868 5.910 -10.989 115 H3' G 11 H3' G 11 3.385 8.051 -10.265 116 H2' G 11 H2' G 11 3.438 7.540 -7.958 117 HO2' G 11 HO2' G 11 1.347 9.378 -8.444 118 H1' G 11 H1' G 11 0.467 7.052 -7.942 119 H8 G 11 H8 G 11 3.880 6.092 -6.431 120 H1 G 11 H1 G 11 -1.251 4.461 -2.917 121 H21 G 11 H21 G 11 -3.066 5.110 -3.949 122 H22 G 11 H22 G 11 -2.955 5.943 -5.494 123 H5' A 12 H5' A 12 -1.409 6.224 -12.900 124 H5'' A 12 H5'' A 12 -1.636 7.827 -12.206 125 H4' A 12 H4' A 12 -0.449 5.519 -10.619 126 H3' A 12 H3' A 12 -3.370 6.149 -11.108 127 HO3' A 12 HO3' A 12 -1.809 3.753 -10.922 128 H2' A 12 H2' A 12 -3.838 5.419 -8.880 129 HO2' A 12 HO2' A 12 -1.097 4.605 -8.732 130 H1' A 12 H1' A 12 -1.665 6.656 -7.731 131 H8 A 12 H8 A 12 -3.333 8.578 -10.523 132 H61 A 12 H61 A 12 -6.696 11.025 -5.786 133 H62 A 12 H62 A 12 -6.462 11.170 -7.529 134 H2 A 12 H2 A 12 -4.131 7.979 -4.184 135 H5' G 13 H5' G 13 -6.841 -0.647 7.831 136 H5'' G 13 H5'' G 13 -8.416 0.142 7.852 137 H4' G 13 H4' G 13 -9.448 -1.531 6.643 138 H3' G 13 H3' G 13 -8.400 -3.503 8.203 139 H2' G 13 H2' G 13 -6.163 -2.895 7.567 140 HO2' G 13 HO2' G 13 -5.532 -4.863 7.258 141 H1' G 13 H1' G 13 -7.072 -3.222 4.705 142 H8 G 13 H8 G 13 -4.201 -2.198 6.971 143 H1 G 13 H1 G 13 -3.202 -1.333 0.669 144 H21 G 13 H21 G 13 -5.200 -1.404 -0.400 145 H22 G 13 H22 G 13 -6.659 -1.711 0.504 146 HO5' G 13 HO5' G 13 -8.055 -0.583 9.920 147 H5' G 14 H5' G 14 -11.489 -6.770 4.854 148 H5'' G 14 H5'' G 14 -9.788 -6.285 4.947 149 H4' G 14 H4' G 14 -11.660 -5.296 2.760 150 H3' G 14 H3' G 14 -11.075 -7.940 2.848 151 H2' G 14 H2' G 14 -8.730 -7.422 3.416 152 HO2' G 14 HO2' G 14 -9.002 -8.314 0.761 153 H1' G 14 H1' G 14 -8.870 -5.681 0.928 154 H8 G 14 H8 G 14 -7.094 -5.932 4.376 155 H1 G 14 H1 G 14 -3.387 -4.309 -0.635 156 H21 G 14 H21 G 14 -4.630 -4.573 -2.500 157 H22 G 14 H22 G 14 -6.284 -5.139 -2.340 158 H5' A 15 H5' A 15 -10.712 -6.856 -2.853 159 H5'' A 15 H5'' A 15 -10.225 -6.019 -1.371 160 H4' A 15 H4' A 15 -12.764 -5.310 -2.887 161 H3' A 15 H3' A 15 -9.917 -4.407 -3.225 162 H2' A 15 H2' A 15 -10.569 -2.144 -3.437 163 HO2' A 15 HO2' A 15 -12.346 -2.497 -4.868 164 H1' A 15 H1' A 15 -12.555 -2.169 -1.530 165 H8 A 15 H8 A 15 -8.773 -3.085 -1.777 166 H61 A 15 H61 A 15 -8.578 -0.188 3.786 167 H62 A 15 H62 A 15 -7.540 -1.015 2.636 168 H2 A 15 H2 A 15 -12.655 -0.239 2.518 169 H5' G 16 H5' G 16 -7.351 -3.643 -4.572 170 H5'' G 16 H5'' G 16 -8.779 -2.611 -4.641 171 H4' G 16 H4' G 16 -8.262 -2.380 -7.183 172 H3' G 16 H3' G 16 -5.928 -3.896 -6.192 173 H2' G 16 H2' G 16 -4.259 -2.424 -6.838 174 HO2' G 16 HO2' G 16 -4.449 -0.832 -8.320 175 H1' G 16 H1' G 16 -5.426 -0.070 -6.214 176 H8 G 16 H8 G 16 -6.931 -1.449 -3.347 177 H1 G 16 H1 G 16 -0.538 -1.654 -2.679 178 H21 G 16 H21 G 16 0.415 -1.400 -4.698 179 H22 G 16 H22 G 16 -0.580 -1.112 -6.118 180 H5' G 17 H5' G 17 -4.266 -3.180 -9.439 181 H5'' G 17 H5'' G 17 -3.605 -3.976 -10.837 182 H4' G 17 H4' G 17 -1.777 -3.611 -9.559 183 H3' G 17 H3' G 17 -2.429 -6.385 -9.826 184 H2' G 17 H2' G 17 -2.932 -6.483 -7.490 185 HO2' G 17 HO2' G 17 -0.114 -6.918 -7.545 186 H1' G 17 H1' G 17 -0.584 -4.555 -7.196 187 H8 G 17 H8 G 17 -4.047 -4.903 -5.558 188 H1 G 17 H1 G 17 0.896 -4.890 -1.440 189 H21 G 17 H21 G 17 2.799 -5.025 -2.587 190 H22 G 17 H22 G 17 2.798 -4.887 -4.318 191 H5' A 18 H5' A 18 0.445 -3.085 -9.355 192 H5'' A 18 H5'' A 18 0.286 -2.438 -10.995 193 H4' A 18 H4' A 18 3.006 -2.826 -10.769 194 H3' A 18 H3' A 18 2.084 -2.694 -8.082 195 H2' A 18 H2' A 18 1.853 -0.526 -7.641 196 HO2' A 18 HO2' A 18 4.532 -0.323 -8.560 197 H1' A 18 H1' A 18 3.079 0.714 -9.951 198 H8 A 18 H8 A 18 1.613 2.620 -10.692 199 H61 A 18 H61 A 18 -4.437 1.507 -9.444 200 H62 A 18 H62 A 18 -3.373 2.717 -10.182 201 H2 A 18 H2 A 18 -2.176 -1.618 -7.655 202 H5' G 19 H5' G 19 6.117 -1.093 -7.192 203 H5'' G 19 H5'' G 19 7.771 -1.153 -7.783 204 H4' G 19 H4' G 19 8.463 -2.180 -5.884 205 H3' G 19 H3' G 19 7.168 -4.426 -6.745 206 H2' G 19 H2' G 19 5.015 -3.352 -6.282 207 HO2' G 19 HO2' G 19 4.699 -5.458 -5.604 208 H1' G 19 H1' G 19 6.207 -3.011 -3.526 209 H8 G 19 H8 G 19 3.358 -1.790 -5.865 210 H1 G 19 H1 G 19 2.298 -1.744 0.499 211 H21 G 19 H21 G 19 4.308 -1.831 1.548 212 H22 G 19 H22 G 19 5.772 -1.984 0.600 213 H5' G 20 H5' G 20 9.779 -3.542 -2.829 214 H5'' G 20 H5'' G 20 11.307 -4.429 -2.794 215 H4' G 20 H4' G 20 10.648 -4.317 -0.538 216 H3' G 20 H3' G 20 10.722 -6.899 -1.620 217 H2' G 20 H2' G 20 8.356 -6.985 -1.933 218 HO2' G 20 HO2' G 20 8.558 -7.870 0.783 219 H1' G 20 H1' G 20 8.148 -5.652 0.799 220 H8 G 20 H8 G 20 6.322 -5.975 -2.645 221 H1 G 20 H1 G 20 2.530 -4.790 2.399 222 H21 G 20 H21 G 20 3.806 -4.940 4.274 223 H22 G 20 H22 G 20 5.556 -5.093 4.131 224 H5' A 21 H5' A 21 11.568 -6.434 4.182 225 H5'' A 21 H5'' A 21 10.406 -6.237 2.883 226 H4' A 21 H4' A 21 12.643 -4.263 3.566 227 H3' A 21 H3' A 21 9.665 -4.246 4.157 228 H2' A 21 H2' A 21 9.811 -1.870 4.193 229 HO2' A 21 HO2' A 21 11.711 -1.700 5.483 230 H1' A 21 H1' A 21 11.800 -1.821 2.158 231 H8 A 21 H8 A 21 8.047 -2.504 2.786 232 H61 A 21 H61 A 21 7.525 -0.695 -3.196 233 H62 A 21 H62 A 21 6.538 -1.098 -1.799 234 H2 A 21 H2 A 21 11.676 -0.734 -2.245 235 H5' G 22 H5' G 22 7.011 -3.860 5.520 236 H5'' G 22 H5'' G 22 8.137 -2.507 5.584 237 H4' G 22 H4' G 22 7.606 -2.555 8.180 238 H3' G 22 H3' G 22 5.527 -4.331 7.019 239 H2' G 22 H2' G 22 3.667 -3.163 7.770 240 HO2' G 22 HO2' G 22 3.645 -1.741 9.461 241 H1' G 22 H1' G 22 4.546 -0.588 7.508 242 H8 G 22 H8 G 22 6.102 -1.629 4.457 243 H1 G 22 H1 G 22 -0.298 -1.479 3.827 244 H21 G 22 H21 G 22 -1.236 -1.618 5.868 245 H22 G 22 H22 G 22 -0.212 -1.712 7.295 246 H5' G 23 H5' G 23 3.606 -4.124 10.665 247 H5'' G 23 H5'' G 23 3.886 -5.644 11.518 248 H4' G 23 H4' G 23 1.530 -5.071 11.608 249 H3' G 23 H3' G 23 2.400 -7.558 11.029 250 H2' G 23 H2' G 23 2.413 -7.277 8.668 251 HO2' G 23 HO2' G 23 0.713 -8.970 9.451 252 H1' G 23 H1' G 23 -0.288 -5.947 8.779 253 H8 G 23 H8 G 23 3.265 -5.617 7.204 254 H1 G 23 H1 G 23 -1.720 -4.515 3.270 255 H21 G 23 H21 G 23 -3.656 -4.880 4.489 256 H22 G 23 H22 G 23 -3.512 -5.084 6.221 257 H5' A 24 H5' A 24 -2.517 -7.466 12.598 258 H5'' A 24 H5'' A 24 -3.524 -8.515 11.617 259 H4' A 24 H4' A 24 -2.055 -6.010 10.849 260 H3' A 24 H3' A 24 -4.812 -7.151 10.600 261 HO3' A 24 HO3' A 24 -3.647 -4.569 10.915 262 H2' A 24 H2' A 24 -5.208 -6.526 8.420 263 HO2' A 24 HO2' A 24 -3.006 -4.729 8.662 264 H1' A 24 H1' A 24 -2.677 -6.731 7.354 265 H8 A 24 H8 A 24 -3.625 -9.517 9.720 266 H61 A 24 H61 A 24 -5.637 -12.251 4.418 267 H62 A 24 H62 A 24 -5.414 -12.558 6.139 268 H2 A 24 H2 A 24 -4.381 -8.233 3.476 269 H1 GLY 25 H1 GLY 25 -7.963 10.951 -0.064 270 H2 GLY 25 H2 GLY 25 -6.593 11.817 -0.330 271 H3 GLY 25 H3 GLY 25 -7.907 12.540 0.330 272 HA2 GLY 25 HA3 GLY 25 -6.223 12.120 2.022 273 HA3 GLY 25 HA2 GLY 25 -7.735 11.252 2.333 274 H GLN 26 H GLN 26 -4.440 10.914 1.015 275 HA GLN 26 HA GLN 26 -4.512 7.976 1.487 276 HB2 GLN 26 HB3 GLN 26 -3.459 7.686 -0.670 277 HB3 GLN 26 HB2 GLN 26 -5.025 8.416 -0.819 278 HG2 GLN 26 HG3 GLN 26 -2.488 10.101 -0.962 279 HG3 GLN 26 HG2 GLN 26 -3.143 9.253 -2.349 280 HE21 GLN 26 HE21 GLN 26 -4.820 10.296 -3.592 281 HE22 GLN 26 HE22 GLN 26 -5.507 11.801 -3.023 282 H TRP 27 H TRP 27 -1.688 8.213 0.193 283 HA TRP 27 HA TRP 27 -0.174 8.054 2.617 284 HB2 TRP 27 HB3 TRP 27 1.730 7.785 0.859 285 HB3 TRP 27 HB2 TRP 27 0.484 6.584 0.998 286 HD1 TRP 27 HD1 TRP 27 -1.549 6.638 -0.798 287 HE1 TRP 27 HE1 TRP 27 -1.643 7.430 -3.248 288 HE3 TRP 27 HE3 TRP 27 3.133 8.487 -1.138 289 HZ2 TRP 27 HZ2 TRP 27 0.207 8.575 -5.168 290 HZ3 TRP 27 HZ3 TRP 27 4.031 9.259 -3.307 291 HH2 TRP 27 HH2 TRP 27 2.582 9.333 -5.326 292 H ASN 28 H ASN 28 1.292 9.917 0.011 293 HA ASN 28 HA ASN 28 1.477 12.271 1.843 294 HB2 ASN 28 HB3 ASN 28 3.588 12.869 0.844 295 HB3 ASN 28 HB2 ASN 28 3.635 11.272 1.580 296 HD21 ASN 28 HD21 ASN 28 2.730 12.557 -1.654 297 HD22 ASN 28 HD22 ASN 28 3.614 11.298 -2.521 298 H LYS 29 H LYS 29 -0.758 11.731 0.153 299 HA LYS 29 HA LYS 29 -2.225 12.861 -1.244 300 HB2 LYS 29 HB3 LYS 29 -1.002 15.128 0.375 301 HB3 LYS 29 HB2 LYS 29 -2.517 15.196 -0.525 302 HG2 LYS 29 HG3 LYS 29 -3.362 14.694 1.526 303 HG3 LYS 29 HG2 LYS 29 -3.189 13.082 0.855 304 HD2 LYS 29 HD3 LYS 29 -0.845 13.115 2.127 305 HD3 LYS 29 HD2 LYS 29 -1.567 14.454 3.017 306 HE2 LYS 29 HE3 LYS 29 -3.456 13.023 3.684 307 HE3 LYS 29 HE2 LYS 29 -2.871 11.721 2.632 308 HZ1 LYS 29 HZ1 LYS 29 -2.250 11.330 4.933 309 HZ2 LYS 29 HZ2 LYS 29 -1.390 12.724 5.002 310 HZ3 LYS 29 HZ3 LYS 29 -0.924 11.493 4.008 311 HA PRO 30 HA PRO 30 1.351 12.649 -4.380 312 HB2 PRO 30 HB3 PRO 30 -1.072 13.942 -5.640 313 HB3 PRO 30 HB2 PRO 30 0.197 12.951 -6.446 314 HG2 PRO 30 HG3 PRO 30 -2.117 11.886 -5.280 315 HG3 PRO 30 HG2 PRO 30 -0.590 10.974 -5.456 316 HD2 PRO 30 HD3 PRO 30 -1.834 11.735 -3.012 317 HD3 PRO 30 HD2 PRO 30 -0.210 11.026 -3.203 318 H SER 31 H SER 31 1.677 14.636 -2.399 319 HA SER 31 HA SER 31 2.906 16.871 -3.963 320 HB2 SER 31 HB3 SER 31 2.229 16.667 -1.003 321 HB3 SER 31 HB2 SER 31 2.986 18.055 -1.808 322 HG SER 31 HG SER 31 0.411 16.962 -2.390 323 H LYS 32 H LYS 32 4.174 14.710 -4.421 324 HA LYS 32 HA LYS 32 5.392 13.151 -2.531 325 HB2 LYS 32 HB3 LYS 32 6.143 13.611 -5.436 326 HB3 LYS 32 HB2 LYS 32 6.745 12.255 -4.471 327 HG2 LYS 32 HG3 LYS 32 4.581 11.297 -4.227 328 HG3 LYS 32 HG2 LYS 32 3.760 12.769 -4.715 329 HD2 LYS 32 HD3 LYS 32 3.461 11.371 -6.505 330 HD3 LYS 32 HD2 LYS 32 4.729 12.474 -7.036 331 HE2 LYS 32 HE3 LYS 32 6.440 10.735 -6.655 332 HE3 LYS 32 HE2 LYS 32 5.228 9.672 -5.922 333 HZ1 LYS 32 HZ1 LYS 32 5.249 10.562 -8.752 334 HZ2 LYS 32 HZ2 LYS 32 4.033 9.701 -8.064 335 HZ3 LYS 32 HZ3 LYS 32 5.526 9.037 -8.221 336 HA PRO 33 HA PRO 33 8.741 15.986 -1.411 337 HB2 PRO 33 HB3 PRO 33 9.296 15.100 1.095 338 HB3 PRO 33 HB2 PRO 33 7.794 15.992 0.702 339 HG2 PRO 33 HG3 PRO 33 8.162 12.990 0.954 340 HG3 PRO 33 HG2 PRO 33 6.887 14.016 1.682 341 HD2 PRO 33 HD3 PRO 33 6.526 12.630 -0.659 342 HD3 PRO 33 HD2 PRO 33 5.737 14.199 -0.341 343 H LYS 34 H LYS 34 8.961 12.474 -1.238 344 HA LYS 34 HA LYS 34 11.897 12.417 -1.443 345 HB2 LYS 34 HB3 LYS 34 11.503 9.889 -1.431 346 HB3 LYS 34 HB2 LYS 34 11.165 10.826 0.006 347 HG2 LYS 34 HG3 LYS 34 9.482 9.219 -0.146 348 HG3 LYS 34 HG2 LYS 34 8.730 10.760 -0.487 349 HD2 LYS 34 HD3 LYS 34 9.074 10.022 -3.026 350 HD3 LYS 34 HD2 LYS 34 9.251 8.411 -2.333 351 HE2 LYS 34 HE3 LYS 34 6.897 10.326 -1.999 352 HE3 LYS 34 HE2 LYS 34 6.912 8.901 -3.037 353 HZ1 LYS 34 HZ1 LYS 34 7.346 8.619 -0.110 354 HZ2 LYS 34 HZ2 LYS 34 6.778 7.501 -1.160 355 HZ3 LYS 34 HZ3 LYS 34 5.844 8.782 -0.715 356 H THR 35 H THR 35 9.547 12.852 -3.630 357 HA THR 35 HA THR 35 9.174 12.774 -5.807 358 HB THR 35 HB THR 35 10.963 13.498 -7.277 359 HG1 THR 35 HG1 THR 35 13.010 13.842 -6.427 360 HG21 THR 35 HG21 THR 35 11.033 14.917 -4.578 361 HG22 THR 35 HG22 THR 35 9.777 15.125 -5.819 362 HG23 THR 35 HG23 THR 35 11.445 15.608 -6.162 363 H ASN 36 H ASN 36 11.736 10.414 -5.238 364 HA ASN 36 HA ASN 36 12.417 8.568 -6.311 365 HB2 ASN 36 HB3 ASN 36 10.768 6.819 -6.433 366 HB3 ASN 36 HB2 ASN 36 10.557 7.778 -4.981 367 HD21 ASN 36 HD21 ASN 36 9.379 7.636 -8.317 368 HD22 ASN 36 HD22 ASN 36 7.650 7.749 -7.909 369 H1 GLY 37 H1 GLY 37 -7.453 -10.419 -1.290 370 H2 GLY 37 H2 GLY 37 -8.807 -10.763 -2.151 371 H3 GLY 37 H3 GLY 37 -8.670 -9.318 -1.403 372 HA2 GLY 37 HA3 GLY 37 -7.048 -10.259 -3.690 373 HA3 GLY 37 HA2 GLY 37 -8.306 -9.014 -3.746 374 H GLN 38 H GLN 38 -5.143 -9.824 -2.281 375 HA GLN 38 HA GLN 38 -4.372 -6.974 -2.157 376 HB2 GLN 38 HB3 GLN 38 -3.779 -7.230 0.122 377 HB3 GLN 38 HB2 GLN 38 -5.429 -7.761 -0.022 378 HG2 GLN 38 HG3 GLN 38 -3.090 -9.724 0.122 379 HG3 GLN 38 HG2 GLN 38 -3.848 -9.033 1.522 380 HE21 GLN 38 HE21 GLN 38 -4.906 -10.759 2.485 381 HE22 GLN 38 HE22 GLN 38 -5.994 -11.815 1.587 382 H TRP 39 H TRP 39 -1.987 -7.427 -0.821 383 HA TRP 39 HA TRP 39 0.026 -8.448 -2.543 384 HB2 TRP 39 HB3 TRP 39 1.371 -8.283 -0.466 385 HB3 TRP 39 HB2 TRP 39 0.420 -6.872 -0.767 386 HD1 TRP 39 HD1 TRP 39 -1.778 -6.469 0.826 387 HE1 TRP 39 HE1 TRP 39 -2.140 -7.026 3.292 388 HE3 TRP 39 HE3 TRP 39 1.933 -9.895 1.390 389 HZ2 TRP 39 HZ2 TRP 39 -0.616 -8.340 5.379 390 HZ3 TRP 39 HZ3 TRP 39 2.479 -10.770 3.620 391 HH2 TRP 39 HH2 TRP 39 1.328 -9.898 5.645 392 H ASN 40 H ASN 40 1.534 -10.182 -0.972 393 HA ASN 40 HA ASN 40 0.502 -12.674 -1.866 394 HB2 ASN 40 HB3 ASN 40 2.672 -13.566 -1.103 395 HB3 ASN 40 HB2 ASN 40 2.823 -12.104 -2.067 396 HD21 ASN 40 HD21 ASN 40 2.520 -13.064 1.374 397 HD22 ASN 40 HD22 ASN 40 3.651 -11.830 1.955 398 H LYS 41 H LYS 41 -1.357 -11.860 0.054 399 HA LYS 41 HA LYS 41 -2.647 -12.679 1.764 400 HB2 LYS 41 HB3 LYS 41 -1.903 -15.174 0.186 401 HB3 LYS 41 HB2 LYS 41 -3.218 -15.075 1.354 402 HG2 LYS 41 HG3 LYS 41 -4.395 -14.690 -0.558 403 HG3 LYS 41 HG2 LYS 41 -4.060 -13.050 -0.027 404 HD2 LYS 41 HD3 LYS 41 -1.963 -13.281 -1.661 405 HD3 LYS 41 HD2 LYS 41 -2.889 -14.606 -2.352 406 HE2 LYS 41 HE3 LYS 41 -4.719 -13.144 -2.920 407 HE3 LYS 41 HE2 LYS 41 -4.088 -11.857 -1.873 408 HZ1 LYS 41 HZ1 LYS 41 -2.265 -11.519 -3.330 409 HZ2 LYS 41 HZ2 LYS 41 -3.603 -11.445 -4.246 410 HZ3 LYS 41 HZ3 LYS 41 -2.669 -12.787 -4.306 411 HA PRO 42 HA PRO 42 0.899 -12.346 4.692 412 HB2 PRO 42 HB3 PRO 42 -1.114 -14.132 6.050 413 HB3 PRO 42 HB2 PRO 42 0.051 -12.997 6.822 414 HG2 PRO 42 HG3 PRO 42 -2.487 -12.242 6.038 415 HG3 PRO 42 HG2 PRO 42 -1.106 -11.110 6.032 416 HD2 PRO 42 HD3 PRO 42 -2.584 -12.093 3.769 417 HD3 PRO 42 HD2 PRO 42 -1.199 -10.981 3.745 418 H SER 43 H SER 43 1.110 -14.660 2.606 419 HA SER 43 HA SER 43 2.925 -16.453 4.070 420 HB2 SER 43 HB3 SER 43 2.283 -16.193 1.112 421 HB3 SER 43 HB2 SER 43 3.345 -17.421 1.829 422 HG SER 43 HG SER 43 1.185 -18.173 1.550 423 H LYS 44 H LYS 44 3.903 -14.225 4.776 424 HA LYS 44 HA LYS 44 5.362 -12.464 3.182 425 HB2 LYS 44 HB3 LYS 44 5.950 -13.324 6.029 426 HB3 LYS 44 HB2 LYS 44 6.570 -11.864 5.239 427 HG2 LYS 44 HG3 LYS 44 4.259 -11.003 4.998 428 HG3 LYS 44 HG2 LYS 44 3.625 -12.476 5.742 429 HD2 LYS 44 HD3 LYS 44 3.623 -10.992 7.520 430 HD3 LYS 44 HD2 LYS 44 5.121 -11.894 7.779 431 HE2 LYS 44 HE3 LYS 44 6.319 -9.978 6.526 432 HE3 LYS 44 HE2 LYS 44 4.777 -9.117 6.559 433 HZ1 LYS 44 HZ1 LYS 44 5.918 -8.372 8.420 434 HZ2 LYS 44 HZ2 LYS 44 6.485 -9.858 8.855 435 HZ3 LYS 44 HZ3 LYS 44 4.895 -9.465 9.071 436 HA PRO 45 HA PRO 45 8.330 -15.502 1.774 437 HB2 PRO 45 HB3 PRO 45 9.497 -13.188 0.230 438 HB3 PRO 45 HB2 PRO 45 9.116 -14.845 -0.330 439 HG2 PRO 45 HG3 PRO 45 7.436 -12.814 -0.913 440 HG3 PRO 45 HG2 PRO 45 6.764 -14.375 -0.333 441 HD2 PRO 45 HD3 PRO 45 7.284 -11.847 1.263 442 HD3 PRO 45 HD2 PRO 45 5.829 -12.884 1.211 443 H LYS 46 H LYS 46 9.410 -12.500 3.222 444 HA LYS 46 HA LYS 46 11.788 -13.913 4.327 445 HB2 LYS 46 HB3 LYS 46 13.206 -12.046 4.124 446 HB3 LYS 46 HB2 LYS 46 12.574 -12.424 2.546 447 HG2 LYS 46 HG3 LYS 46 11.540 -10.153 4.327 448 HG3 LYS 46 HG2 LYS 46 12.813 -9.979 3.139 449 HD2 LYS 46 HD3 LYS 46 9.885 -10.550 2.559 450 HD3 LYS 46 HD2 LYS 46 10.812 -9.089 2.239 451 HE2 LYS 46 HE3 LYS 46 12.367 -10.782 0.864 452 HE3 LYS 46 HE2 LYS 46 10.889 -11.747 0.808 453 HZ1 LYS 46 HZ1 LYS 46 9.817 -9.620 -0.114 454 HZ2 LYS 46 HZ2 LYS 46 10.951 -10.300 -1.098 455 HZ3 LYS 46 HZ3 LYS 46 11.338 -9.002 -0.182 456 H THR 47 H THR 47 9.066 -13.305 5.344 457 HA THR 47 HA THR 47 7.894 -12.591 7.109 458 HB THR 47 HB THR 47 8.835 -13.174 9.330 459 HG1 THR 47 HG1 THR 47 11.060 -12.799 8.850 460 HG21 THR 47 HG21 THR 47 8.941 -15.565 8.853 461 HG22 THR 47 HG22 THR 47 9.187 -15.244 7.123 462 HG23 THR 47 HG23 THR 47 7.651 -14.807 7.905 463 H ASN 48 H ASN 48 10.452 -10.491 6.544 464 HA ASN 48 HA ASN 48 11.009 -8.413 7.122 465 HB2 ASN 48 HB3 ASN 48 8.146 -8.063 8.034 466 HB3 ASN 48 HB2 ASN 48 9.292 -6.782 7.732 467 HD21 ASN 48 HD21 ASN 48 6.787 -6.907 6.522 468 HD22 ASN 48 HD22 ASN 48 7.038 -7.183 4.785
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