NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
9310 | 1nor | 5690 | cing | recoord | 1-original | 13 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 456 H/Q atoms Start of MODEL 1 1 1H LEU 1 1H LEU 1 -12.827 3.058 6.167 2 2H LEU 1 2H LEU 1 -13.686 4.162 5.651 3 3H LEU 1 3H LEU 1 -14.076 2.742 5.417 4 HA LEU 1 HA LEU 1 -13.224 3.632 3.344 5 1HB LEU 1 1HB LEU 1 -11.803 5.177 4.859 6 2HB LEU 1 2HB LEU 1 -10.578 3.927 4.582 7 HG LEU 1 HG LEU 1 -11.895 4.782 2.122 8 1HD1 LEU 1 1HD1 LEU 1 -10.457 6.895 3.684 9 2HD1 LEU 1 2HD1 LEU 1 -10.917 6.987 1.976 10 3HD1 LEU 1 3HD1 LEU 1 -12.168 6.874 3.226 11 1HD2 LEU 1 3HD2 LEU 1 -9.001 4.774 3.052 12 2HD2 LEU 1 1HD2 LEU 1 -9.817 3.450 2.204 13 3HD2 LEU 1 2HD2 LEU 1 -9.551 4.996 1.382 14 H GLU 2 H GLU 2 -13.014 1.880 2.157 15 HA GLU 2 HA GLU 2 -11.667 -0.485 3.214 16 1HB GLU 2 1HB GLU 2 -14.040 -0.694 2.395 17 2HB GLU 2 2HB GLU 2 -13.456 -0.283 0.773 18 1HG GLU 2 1HG GLU 2 -12.467 -2.318 0.467 19 2HG GLU 2 2HG GLU 2 -12.003 -2.466 2.171 20 H CYS 3 H CYS 3 -9.722 -0.879 2.646 21 HA CYS 3 HA CYS 3 -8.768 -0.120 -0.024 22 1HB CYS 3 1HB CYS 3 -7.351 0.341 2.566 23 2HB CYS 3 2HB CYS 3 -6.554 0.344 0.983 24 H HIS 4 H HIS 4 -6.754 -1.377 -0.525 25 HA HIS 4 HA HIS 4 -7.212 -4.162 -0.121 26 1HB HIS 4 1HB HIS 4 -5.011 -2.638 -1.531 27 2HB HIS 4 2HB HIS 4 -5.088 -4.407 -1.458 28 HD2 HIS 4 HD2 HIS 4 -6.439 -1.524 -3.586 29 HE1 HIS 4 HE1 HIS 4 -8.628 -4.982 -4.711 30 H ASN 5 H ASN 5 -5.561 -5.633 0.603 31 HA ASN 5 HA ASN 5 -3.983 -4.568 2.835 32 1HB ASN 5 1HB ASN 5 -6.216 -6.405 2.951 33 2HB ASN 5 2HB ASN 5 -4.732 -7.221 3.474 34 1HD2 ASN 5 2HD2 ASN 5 -5.727 -5.986 6.575 35 2HD2 ASN 5 1HD2 ASN 5 -5.819 -7.261 5.539 36 H GLN 6 H GLN 6 -4.519 -7.136 0.503 37 HA GLN 6 HA GLN 6 -2.499 -8.885 0.859 38 1HB GLN 6 1HB GLN 6 -2.344 -8.992 -1.682 39 2HB GLN 6 2HB GLN 6 -3.883 -9.389 -0.900 40 1HG GLN 6 1HG GLN 6 -4.931 -7.503 -1.689 41 2HG GLN 6 2HG GLN 6 -3.441 -6.544 -1.687 42 1HE2 GLN 6 2HE2 GLN 6 -4.655 -7.349 -5.125 43 2HE2 GLN 6 1HE2 GLN 6 -5.384 -6.760 -3.772 44 H GLN 7 H GLN 7 -0.362 -9.034 0.087 45 HA GLN 7 HA GLN 7 1.001 -6.547 -0.618 46 1HB GLN 7 1HB GLN 7 2.710 -6.819 0.986 47 2HB GLN 7 2HB GLN 7 1.151 -6.862 1.828 48 1HG GLN 7 1HG GLN 7 1.291 -9.158 2.243 49 2HG GLN 7 2HG GLN 7 2.448 -9.425 0.928 50 1HE2 GLN 7 2HE2 GLN 7 4.013 -9.593 4.314 51 2HE2 GLN 7 1HE2 GLN 7 2.660 -10.259 3.655 52 H SER 8 H SER 8 3.044 -6.891 -1.609 53 HA SER 8 HA SER 8 4.548 -7.875 -3.029 54 1HB SER 8 1HB SER 8 3.708 -10.123 -1.291 55 2HB SER 8 2HB SER 8 4.524 -10.515 -2.814 56 HG SER 8 HG SER 8 6.050 -10.332 -1.013 57 H SER 9 H SER 9 2.553 -10.696 -3.112 58 HA SER 9 HA SER 9 1.199 -9.868 -5.550 59 1HB SER 9 1HB SER 9 1.808 -12.108 -6.575 60 2HB SER 9 2HB SER 9 3.120 -10.921 -6.484 61 HG SER 9 HG SER 9 3.845 -13.091 -5.873 62 H GLN 10 H GLN 10 0.257 -10.232 -2.925 63 HA GLN 10 HA GLN 10 -1.022 -12.749 -2.612 64 1HB GLN 10 1HB GLN 10 -0.743 -10.362 -1.061 65 2HB GLN 10 2HB GLN 10 -2.435 -10.886 -1.098 66 1HG GLN 10 1HG GLN 10 -1.982 -12.565 0.313 67 2HG GLN 10 2HG GLN 10 -0.737 -13.187 -0.784 68 1HE2 GLN 10 2HE2 GLN 10 0.403 -12.020 2.679 69 2HE2 GLN 10 1HE2 GLN 10 -0.997 -12.747 2.214 70 HA PRO 11 HA PRO 11 -4.741 -12.108 -4.757 71 1HB PRO 11 1HB PRO 11 -6.737 -12.795 -2.951 72 2HB PRO 11 2HB PRO 11 -5.745 -13.947 -3.862 73 1HG PRO 11 1HG PRO 11 -5.629 -13.229 -1.007 74 2HG PRO 11 2HG PRO 11 -4.965 -14.647 -1.836 75 1HD PRO 11 2HD PRO 11 -3.538 -12.341 -0.928 76 2HD PRO 11 1HD PRO 11 -2.896 -13.705 -1.859 77 HA PRO 12 HA PRO 12 -6.618 -8.247 -3.983 78 1HB PRO 12 1HB PRO 12 -9.164 -8.578 -5.041 79 2HB PRO 12 2HB PRO 12 -7.708 -8.292 -6.009 80 1HG PRO 12 1HG PRO 12 -9.267 -10.767 -5.666 81 2HG PRO 12 2HG PRO 12 -8.097 -10.342 -6.927 82 1HD PRO 12 2HD PRO 12 -7.688 -12.075 -4.690 83 2HD PRO 12 1HD PRO 12 -6.486 -11.559 -5.885 84 H THR 13 H THR 13 -6.547 -8.478 -1.735 85 HA THR 13 HA THR 13 -9.116 -9.046 -0.444 86 HB THR 13 HB THR 13 -7.642 -9.246 1.619 87 HG1 THR 13 HG1 THR 13 -5.335 -9.886 0.878 88 1HG2 THR 13 3HG2 THR 13 -8.632 -11.207 0.497 89 2HG2 THR 13 1HG2 THR 13 -7.270 -11.247 -0.635 90 3HG2 THR 13 2HG2 THR 13 -6.999 -11.561 1.087 91 H THR 14 H THR 14 -10.042 -7.524 0.814 92 HA THR 14 HA THR 14 -8.715 -4.927 1.149 93 HB THR 14 HB THR 14 -11.649 -4.928 0.756 94 HG1 THR 14 HG1 THR 14 -11.207 -5.119 -1.705 95 1HG2 THR 14 3HG2 THR 14 -10.354 -2.834 0.904 96 2HG2 THR 14 1HG2 THR 14 -9.415 -3.314 -0.520 97 3HG2 THR 14 2HG2 THR 14 -11.150 -2.987 -0.672 98 H LYS 15 H LYS 15 -9.919 -3.571 2.740 99 HA LYS 15 HA LYS 15 -11.343 -4.880 4.841 100 1HB LYS 15 1HB LYS 15 -8.459 -4.815 4.979 101 2HB LYS 15 2HB LYS 15 -9.264 -4.108 6.390 102 1HG LYS 15 1HG LYS 15 -9.721 -6.171 7.136 103 2HG LYS 15 2HG LYS 15 -10.714 -6.452 5.696 104 1HD LYS 15 1HD LYS 15 -8.178 -6.789 4.700 105 2HD LYS 15 2HD LYS 15 -8.006 -7.423 6.346 106 1HE LYS 15 1HE LYS 15 -10.478 -8.369 5.198 107 2HE LYS 15 2HE LYS 15 -9.135 -8.725 4.097 108 1HZ LYS 15 1HZ LYS 15 -9.184 -9.507 6.918 109 2HZ LYS 15 2HZ LYS 15 -9.380 -10.459 5.787 110 3HZ LYS 15 3HZ LYS 15 -8.055 -9.807 5.992 111 H THR 16 H THR 16 -12.082 -3.386 6.378 112 HA THR 16 HA THR 16 -12.064 -0.605 5.490 113 HB THR 16 HB THR 16 -13.873 -2.222 7.341 114 HG1 THR 16 HG1 THR 16 -15.401 -1.700 5.559 115 1HG2 THR 16 1HG2 THR 16 -14.154 0.684 6.360 116 2HG2 THR 16 2HG2 THR 16 -15.317 -0.182 7.377 117 3HG2 THR 16 3HG2 THR 16 -13.732 0.267 8.029 118 H CYS 17 H CYS 17 -11.170 0.970 6.512 119 HA CYS 17 HA CYS 17 -9.689 0.378 8.959 120 1HB CYS 17 1HB CYS 17 -9.367 2.663 7.002 121 2HB CYS 17 2HB CYS 17 -8.397 2.413 8.463 122 H SER 18 H SER 18 -9.765 1.823 10.683 123 HA SER 18 HA SER 18 -12.251 3.375 10.848 124 1HB SER 18 1HB SER 18 -11.023 1.448 12.694 125 2HB SER 18 2HB SER 18 -11.631 2.939 13.435 126 HG SER 18 HG SER 18 -13.269 1.229 13.412 127 H GLY 19 H GLY 19 -12.065 5.455 11.315 128 1HA GLY 19 1HA GLY 19 -11.261 7.451 12.158 129 2HA GLY 19 2HA GLY 19 -9.862 6.562 12.786 130 H GLU 20 H GLU 20 -8.804 5.436 10.602 131 HA GLU 20 HA GLU 20 -7.633 7.672 9.220 132 1HB GLU 20 1HB GLU 20 -6.269 5.720 10.039 133 2HB GLU 20 2HB GLU 20 -7.076 4.718 8.820 134 1HG GLU 20 1HG GLU 20 -4.802 5.683 8.168 135 2HG GLU 20 2HG GLU 20 -6.129 5.957 7.026 136 H THR 21 H THR 21 -8.260 8.457 7.411 137 HA THR 21 HA THR 21 -10.007 6.876 5.662 138 HB THR 21 HB THR 21 -11.200 8.707 6.696 139 HG1 THR 21 HG1 THR 21 -11.831 9.736 4.616 140 1HG2 THR 21 1HG2 THR 21 -9.188 10.486 5.189 141 2HG2 THR 21 2HG2 THR 21 -10.577 11.060 6.128 142 3HG2 THR 21 3HG2 THR 21 -9.195 10.319 6.952 143 H ASN 22 H ASN 22 -7.207 6.702 5.532 144 HA ASN 22 HA ASN 22 -6.752 7.580 2.802 145 1HB ASN 22 1HB ASN 22 -4.813 8.162 5.069 146 2HB ASN 22 2HB ASN 22 -4.488 8.413 3.345 147 1HD2 ASN 22 2HD2 ASN 22 -7.158 10.781 5.361 148 2HD2 ASN 22 1HD2 ASN 22 -6.857 9.234 5.835 149 H CYS 23 H CYS 23 -5.015 6.415 1.821 150 HA CYS 23 HA CYS 23 -3.858 4.163 3.219 151 1HB CYS 23 1HB CYS 23 -5.115 3.503 0.606 152 2HB CYS 23 2HB CYS 23 -4.801 2.472 2.013 153 OH TYR 24 OH TYR 24 2.204 1.520 5.740 154 H TYR 24 H TYR 24 -2.085 3.291 2.141 155 HA TYR 24 HA TYR 24 -1.072 4.749 -0.174 156 1HB TYR 24 1HB TYR 24 1.021 5.176 1.006 157 2HB TYR 24 2HB TYR 24 -0.288 5.708 2.075 158 HD1 TYR 24 HD2 TYR 24 -0.811 4.479 4.115 159 HD2 TYR 24 HD1 TYR 24 2.377 3.244 1.559 160 HE1 TYR 24 HE2 TYR 24 0.096 2.988 5.955 161 HE2 TYR 24 HE1 TYR 24 3.276 1.758 3.408 162 HH TYR 24 HH TYR 24 1.569 1.603 6.616 163 H LYS 25 H LYS 25 0.741 3.682 -1.177 164 HA LYS 25 HA LYS 25 0.970 0.813 -0.609 165 1HB LYS 25 1HB LYS 25 1.090 0.520 -3.129 166 2HB LYS 25 2HB LYS 25 -0.482 0.699 -2.332 167 1HG LYS 25 1HG LYS 25 -0.318 3.188 -2.864 168 2HG LYS 25 2HG LYS 25 1.056 2.779 -3.905 169 1HD LYS 25 1HD LYS 25 -1.085 0.980 -4.507 170 2HD LYS 25 2HD LYS 25 -1.733 2.629 -4.507 171 1HE LYS 25 1HE LYS 25 0.495 1.478 -6.190 172 2HE LYS 25 2HE LYS 25 -0.983 2.300 -6.720 173 1HZ LYS 25 1HZ LYS 25 1.228 3.641 -5.348 174 2HZ LYS 25 2HZ LYS 25 0.939 3.790 -6.804 175 3HZ LYS 25 3HZ LYS 25 -0.015 4.333 -5.795 176 H LYS 26 H LYS 26 2.998 0.068 -0.676 177 HA LYS 26 HA LYS 26 5.144 1.755 -1.749 178 1HB LYS 26 1HB LYS 26 6.470 0.798 0.277 179 2HB LYS 26 2HB LYS 26 5.517 2.290 0.369 180 1HG LYS 26 1HG LYS 26 3.771 1.246 1.546 181 2HG LYS 26 2HG LYS 26 4.287 -0.377 1.055 182 1HD LYS 26 1HD LYS 26 4.853 -0.044 3.392 183 2HD LYS 26 2HD LYS 26 6.346 -0.090 2.440 184 1HE LYS 26 1HE LYS 26 6.766 2.168 2.732 185 2HE LYS 26 2HE LYS 26 5.053 2.567 2.947 186 1HZ LYS 26 3HZ LYS 26 5.234 1.535 5.144 187 2HZ LYS 26 1HZ LYS 26 6.675 1.200 4.963 188 3HZ LYS 26 2HZ LYS 26 6.249 2.625 5.065 189 CH2 TRP 27 CH2 TRP 27 3.987 2.985 -5.987 190 H TRP 27 H TRP 27 6.701 0.654 -2.808 191 HA TRP 27 HA TRP 27 6.921 -2.235 -2.668 192 1HB TRP 27 1HB TRP 27 6.642 -2.599 -5.013 193 2HB TRP 27 2HB TRP 27 5.164 -1.977 -4.259 194 HD1 TRP 27 HD1 TRP 27 7.496 -1.272 -7.111 195 HE1 TRP 27 HE1 TRP 27 6.819 0.894 -8.288 196 HE3 TRP 27 HE3 TRP 27 4.187 0.437 -3.663 197 HZ2 TRP 27 HZ2 TRP 27 5.099 3.100 -7.855 198 HZ3 TRP 27 HZ3 TRP 27 3.052 2.607 -4.118 199 HH2 TRP 27 HH2 TRP 27 3.461 3.923 -6.130 200 CH2 TRP 28 CH2 TRP 28 9.817 -4.110 1.577 201 H TRP 28 H TRP 28 8.862 -2.941 -3.743 202 HA TRP 28 HA TRP 28 10.769 -1.081 -4.799 203 1HB TRP 28 1HB TRP 28 12.352 -1.030 -3.153 204 2HB TRP 28 2HB TRP 28 10.821 -0.706 -2.323 205 HD1 TRP 28 HD1 TRP 28 13.505 -3.462 -2.627 206 HE1 TRP 28 HE1 TRP 28 13.259 -5.057 -0.645 207 HE3 TRP 28 HE3 TRP 28 9.228 -1.554 -0.671 208 HZ2 TRP 28 HZ2 TRP 28 11.490 -5.501 1.520 209 HZ3 TRP 28 HZ3 TRP 28 8.308 -2.628 1.378 210 HH2 TRP 28 HH2 TRP 28 9.369 -4.536 2.469 211 H SER 29 H SER 29 12.110 -2.181 -6.091 212 HA SER 29 HA SER 29 11.812 -5.046 -6.336 213 1HB SER 29 1HB SER 29 13.680 -3.438 -8.045 214 2HB SER 29 2HB SER 29 12.713 -4.862 -8.465 215 HG SER 29 HG SER 29 11.903 -2.900 -9.514 216 H ASP 30 H ASP 30 13.474 -6.502 -6.232 217 HA ASP 30 HA ASP 30 15.851 -5.627 -4.743 218 1HB ASP 30 1HB ASP 30 15.924 -7.890 -3.787 219 2HB ASP 30 2HB ASP 30 14.421 -7.048 -3.371 220 H HIS 31 H HIS 31 17.177 -8.065 -4.937 221 HA HIS 31 HA HIS 31 18.715 -7.876 -7.175 222 1HB HIS 31 1HB HIS 31 18.286 -9.933 -5.169 223 2HB HIS 31 2HB HIS 31 18.907 -10.507 -6.726 224 HD2 HIS 31 HD2 HIS 31 19.976 -7.286 -4.639 225 HE1 HIS 31 HE1 HIS 31 23.426 -9.565 -5.608 226 NH1 ARG 32 NH2 ARG 32 15.742 -15.492 -12.421 227 NH2 ARG 32 NH1 ARG 32 17.713 -16.478 -11.705 228 H ARG 32 H ARG 32 16.370 -10.496 -6.759 229 HA ARG 32 HA ARG 32 15.511 -10.177 -9.536 230 1HB ARG 32 1HB ARG 32 16.723 -12.577 -8.246 231 2HB ARG 32 2HB ARG 32 15.341 -12.848 -9.321 232 1HG ARG 32 1HG ARG 32 17.029 -10.999 -10.643 233 2HG ARG 32 2HG ARG 32 18.087 -12.267 -9.998 234 1HD ARG 32 1HD ARG 32 15.577 -13.170 -11.326 235 2HD ARG 32 2HD ARG 32 16.828 -12.482 -12.375 236 HE ARG 32 HE ARG 32 18.253 -14.211 -10.933 237 1HH1 ARG 32 1HH2 ARG 32 15.199 -14.717 -12.504 238 2HH1 ARG 32 2HH2 ARG 32 15.435 -16.326 -12.757 239 1HH2 ARG 32 1HH1 ARG 32 18.562 -16.411 -11.285 240 2HH2 ARG 32 2HH1 ARG 32 17.413 -17.316 -12.038 241 H GLY 33 H GLY 33 13.982 -9.089 -7.791 242 1HA GLY 33 1HA GLY 33 11.535 -10.468 -7.925 243 2HA GLY 33 2HA GLY 33 12.179 -10.524 -6.274 244 H THR 34 H THR 34 9.954 -9.320 -6.260 245 HA THR 34 HA THR 34 10.533 -6.509 -5.857 246 HB THR 34 HB THR 34 8.477 -7.581 -7.837 247 HG1 THR 34 HG1 THR 34 9.679 -6.018 -9.215 248 1HG2 THR 34 3HG2 THR 34 7.506 -5.663 -6.402 249 2HG2 THR 34 1HG2 THR 34 8.918 -4.695 -6.859 250 3HG2 THR 34 2HG2 THR 34 7.755 -5.203 -8.095 251 H ILE 35 H ILE 35 9.913 -5.995 -3.973 252 HA ILE 35 HA ILE 35 7.891 -7.564 -2.584 253 HB ILE 35 HB ILE 35 9.929 -5.645 -1.541 254 1HG1 ILE 35 1HG1 ILE 35 10.170 -8.128 -0.328 255 2HG1 ILE 35 2HG1 ILE 35 9.795 -8.537 -2.011 256 1HG2 ILE 35 3HG2 ILE 35 7.938 -5.356 -0.268 257 2HG2 ILE 35 1HG2 ILE 35 7.787 -7.107 -0.042 258 3HG2 ILE 35 2HG2 ILE 35 9.156 -6.237 0.670 259 1HD1 ILE 35 3HD1 ILE 35 11.648 -7.092 -2.775 260 2HD1 ILE 35 1HD1 ILE 35 12.023 -6.683 -1.093 261 3HD1 ILE 35 2HD1 ILE 35 12.232 -8.345 -1.668 262 H ILE 36 H ILE 36 5.946 -6.763 -2.144 263 HA ILE 36 HA ILE 36 5.410 -3.903 -2.428 264 HB ILE 36 HB ILE 36 3.711 -6.133 -3.597 265 1HG1 ILE 36 1HG1 ILE 36 4.477 -4.419 -5.623 266 2HG1 ILE 36 2HG1 ILE 36 5.947 -4.746 -4.689 267 1HG2 ILE 36 3HG2 ILE 36 2.366 -4.234 -2.767 268 2HG2 ILE 36 1HG2 ILE 36 3.373 -3.113 -3.697 269 3HG2 ILE 36 2HG2 ILE 36 2.357 -4.296 -4.537 270 1HD1 ILE 36 1HD1 ILE 36 4.037 -6.845 -5.782 271 2HD1 ILE 36 2HD1 ILE 36 5.624 -6.438 -6.457 272 3HD1 ILE 36 3HD1 ILE 36 5.507 -7.172 -4.849 273 H GLU 37 H GLU 37 3.891 -3.059 -1.146 274 HA GLU 37 HA GLU 37 2.410 -4.672 0.715 275 1HB GLU 37 1HB GLU 37 4.541 -4.716 1.809 276 2HB GLU 37 2HB GLU 37 4.652 -2.949 1.734 277 1HG GLU 37 1HG GLU 37 3.893 -3.759 3.957 278 2HG GLU 37 2HG GLU 37 2.687 -2.731 3.164 279 NH1 ARG 38 NH2 ARG 38 2.210 -1.382 -2.564 280 NH2 ARG 38 NH1 ARG 38 1.754 -1.626 -4.824 281 H ARG 38 H ARG 38 0.665 -3.605 1.433 282 HA ARG 38 HA ARG 38 0.465 -0.714 1.017 283 1HB ARG 38 1HB ARG 38 -1.533 -2.847 0.224 284 2HB ARG 38 2HB ARG 38 -1.974 -1.141 0.413 285 1HG ARG 38 1HG ARG 38 -1.466 -1.106 -1.819 286 2HG ARG 38 2HG ARG 38 0.166 -0.837 -1.181 287 1HD ARG 38 1HD ARG 38 0.631 -3.254 -1.344 288 2HD ARG 38 2HD ARG 38 -1.004 -3.528 -1.971 289 HE ARG 38 HE ARG 38 -0.231 -2.827 -4.019 290 1HH1 ARG 38 1HH2 ARG 38 1.967 -1.540 -1.659 291 2HH1 ARG 38 2HH2 ARG 38 3.005 -0.903 -2.766 292 1HH2 ARG 38 1HH1 ARG 38 1.197 -1.951 -5.522 293 2HH2 ARG 38 2HH1 ARG 38 2.548 -1.148 -5.034 294 H GLY 39 H GLY 39 -1.435 0.182 2.195 295 1HA GLY 39 1HA GLY 39 -2.718 -1.073 4.317 296 2HA GLY 39 2HA GLY 39 -1.233 -0.330 4.934 297 H CYS 40 H CYS 40 -3.139 0.762 6.115 298 HA CYS 40 HA CYS 40 -4.307 2.994 4.651 299 1HB CYS 40 1HB CYS 40 -4.987 1.579 7.115 300 2HB CYS 40 2HB CYS 40 -5.225 3.335 7.131 301 H GLY 41 H GLY 41 -4.055 5.130 5.522 302 1HA GLY 41 1HA GLY 41 -3.029 6.772 6.892 303 2HA GLY 41 2HA GLY 41 -1.753 5.596 7.251 304 H CYS 42 H CYS 42 -0.294 7.316 6.679 305 HA CYS 42 HA CYS 42 0.611 7.140 3.984 306 1HB CYS 42 1HB CYS 42 -1.094 8.884 3.716 307 2HB CYS 42 2HB CYS 42 -0.336 9.823 5.014 308 HA PRO 43 HA PRO 43 3.940 7.569 6.935 309 1HB PRO 43 1HB PRO 43 5.608 5.795 5.601 310 2HB PRO 43 2HB PRO 43 4.461 5.327 6.868 311 1HG PRO 43 1HG PRO 43 4.316 4.885 3.960 312 2HG PRO 43 2HG PRO 43 3.432 4.074 5.265 313 1HD PRO 43 2HD PRO 43 2.446 6.087 3.490 314 2HD PRO 43 1HD PRO 43 1.603 5.362 4.869 315 H LYS 44 H LYS 44 6.386 7.837 6.385 316 HA LYS 44 HA LYS 44 6.535 10.140 4.661 317 1HB LYS 44 1HB LYS 44 7.862 9.309 6.990 318 2HB LYS 44 2HB LYS 44 9.064 9.543 5.709 319 1HG LYS 44 1HG LYS 44 7.483 11.714 5.294 320 2HG LYS 44 2HG LYS 44 7.297 11.516 7.045 321 1HD LYS 44 1HD LYS 44 9.324 12.405 7.391 322 2HD LYS 44 2HD LYS 44 10.067 11.179 6.350 323 1HE LYS 44 1HE LYS 44 10.637 13.011 5.111 324 2HE LYS 44 2HE LYS 44 9.006 12.788 4.457 325 1HZ LYS 44 1HZ LYS 44 9.652 14.634 6.634 326 2HZ LYS 44 2HZ LYS 44 9.342 15.066 5.240 327 3HZ LYS 44 3HZ LYS 44 8.279 14.446 6.083 328 H VAL 45 H VAL 45 7.471 10.186 2.715 329 HA VAL 45 HA VAL 45 8.159 7.718 1.402 330 HB VAL 45 HB VAL 45 6.822 9.372 0.191 331 1HG1 VAL 45 3HG1 VAL 45 7.516 11.367 1.334 332 2HG1 VAL 45 1HG1 VAL 45 9.121 11.269 0.589 333 3HG1 VAL 45 2HG1 VAL 45 7.692 11.556 -0.419 334 1HG2 VAL 45 1HG2 VAL 45 8.378 7.991 -1.141 335 2HG2 VAL 45 2HG2 VAL 45 8.190 9.603 -1.850 336 3HG2 VAL 45 3HG2 VAL 45 9.646 9.207 -0.922 337 H LYS 46 H LYS 46 10.007 6.846 1.656 338 HA LYS 46 HA LYS 46 12.373 8.467 2.203 339 1HB LYS 46 1HB LYS 46 12.832 7.005 3.715 340 2HB LYS 46 2HB LYS 46 11.444 6.013 3.238 341 1HG LYS 46 1HG LYS 46 12.854 5.009 1.429 342 2HG LYS 46 2HG LYS 46 14.239 5.915 2.061 343 1HD LYS 46 1HD LYS 46 13.416 4.732 4.340 344 2HD LYS 46 2HD LYS 46 12.856 3.524 3.170 345 1HE LYS 46 1HE LYS 46 15.558 4.455 2.571 346 2HE LYS 46 2HE LYS 46 15.440 3.760 4.196 347 1HZ LYS 46 1HZ LYS 46 14.590 2.373 1.763 348 2HZ LYS 46 2HZ LYS 46 15.829 2.038 2.522 349 3HZ LYS 46 3HZ LYS 46 14.491 1.787 3.131 350 HA PRO 47 HA PRO 47 13.885 7.737 -1.808 351 1HB PRO 47 1HB PRO 47 16.607 8.037 -1.339 352 2HB PRO 47 2HB PRO 47 15.457 9.367 -1.562 353 1HG PRO 47 1HG PRO 47 16.764 8.421 0.903 354 2HG PRO 47 2HG PRO 47 15.971 9.972 0.576 355 1HD PRO 47 2HD PRO 47 14.929 7.770 2.075 356 2HD PRO 47 1HD PRO 47 14.093 9.274 1.649 357 H GLY 48 H GLY 48 14.383 6.013 -2.990 358 1HA GLY 48 1HA GLY 48 15.674 4.087 -3.557 359 2HA GLY 48 2HA GLY 48 15.899 3.805 -1.822 360 H VAL 49 H VAL 49 13.035 4.432 -1.361 361 HA VAL 49 HA VAL 49 11.887 1.875 -2.237 362 HB VAL 49 HB VAL 49 11.396 3.394 0.304 363 1HG1 VAL 49 1HG1 VAL 49 10.226 0.775 -0.705 364 2HG1 VAL 49 2HG1 VAL 49 9.986 1.462 0.910 365 3HG1 VAL 49 3HG1 VAL 49 9.339 2.296 -0.512 366 1HG2 VAL 49 1HG2 VAL 49 13.537 2.305 0.291 367 2HG2 VAL 49 2HG2 VAL 49 12.414 1.466 1.375 368 3HG2 VAL 49 3HG2 VAL 49 12.790 0.781 -0.215 369 H ASN 50 H ASN 50 9.896 1.903 -3.145 370 HA ASN 50 HA ASN 50 8.880 4.435 -4.098 371 1HB ASN 50 1HB ASN 50 7.671 1.724 -4.663 372 2HB ASN 50 2HB ASN 50 7.578 3.201 -5.637 373 1HD2 ASN 50 2HD2 ASN 50 9.864 1.171 -7.456 374 2HD2 ASN 50 1HD2 ASN 50 8.257 1.324 -7.137 375 H LEU 51 H LEU 51 7.055 5.343 -3.356 376 HA LEU 51 HA LEU 51 5.106 3.865 -1.798 377 1HB LEU 51 1HB LEU 51 6.414 4.331 -0.027 378 2HB LEU 51 2HB LEU 51 6.861 5.937 -0.628 379 HG LEU 51 HG LEU 51 4.332 6.476 -0.259 380 1HD1 LEU 51 3HD1 LEU 51 3.640 4.167 0.277 381 2HD1 LEU 51 1HD1 LEU 51 4.757 4.151 1.652 382 3HD1 LEU 51 2HD1 LEU 51 3.368 5.250 1.652 383 1HD2 LEU 51 1HD2 LEU 51 6.115 7.609 0.839 384 2HD2 LEU 51 2HD2 LEU 51 4.807 7.252 1.979 385 3HD2 LEU 51 3HD2 LEU 51 6.290 6.283 1.999 386 H ASN 52 H ASN 52 3.108 4.767 -1.933 387 HA ASN 52 HA ASN 52 2.768 7.368 -3.211 388 1HB ASN 52 1HB ASN 52 2.594 5.481 -4.918 389 2HB ASN 52 2HB ASN 52 1.150 4.946 -4.039 390 1HD2 ASN 52 2HD2 ASN 52 0.683 7.471 -6.903 391 2HD2 ASN 52 1HD2 ASN 52 1.801 6.275 -6.735 392 H CYS 53 H CYS 53 1.210 8.496 -2.229 393 HA CYS 53 HA CYS 53 -0.545 7.167 -0.288 394 1HB CYS 53 1HB CYS 53 0.654 9.891 -0.306 395 2HB CYS 53 2HB CYS 53 -0.799 9.510 0.635 396 H CYS 54 H CYS 54 -2.713 7.573 -0.402 397 HA CYS 54 HA CYS 54 -3.866 9.491 -2.187 398 1HB CYS 54 1HB CYS 54 -5.258 7.578 -3.272 399 2HB CYS 54 2HB CYS 54 -3.656 7.977 -3.917 400 NH1 ARG 55 NH2 ARG 55 -6.718 14.048 3.834 401 NH2 ARG 55 NH1 ARG 55 -4.862 15.014 2.836 402 H ARG 55 H ARG 55 -6.229 9.427 -2.036 403 HA ARG 55 HA ARG 55 -7.103 8.477 0.600 404 1HB ARG 55 1HB ARG 55 -8.085 10.945 -0.839 405 2HB ARG 55 2HB ARG 55 -8.544 10.396 0.782 406 1HG ARG 55 1HG ARG 55 -5.935 10.504 1.208 407 2HG ARG 55 2HG ARG 55 -5.975 11.630 -0.160 408 1HD ARG 55 1HD ARG 55 -7.920 12.772 1.159 409 2HD ARG 55 2HD ARG 55 -7.269 11.888 2.550 410 HE ARG 55 HE ARG 55 -5.341 13.424 1.027 411 1HH1 ARG 55 1HH2 ARG 55 -7.425 13.414 3.805 412 2HH1 ARG 55 2HH2 ARG 55 -6.623 14.620 4.587 413 1HH2 ARG 55 1HH1 ARG 55 -4.253 15.070 2.109 414 2HH2 ARG 55 2HH1 ARG 55 -4.761 15.589 3.586 415 H THR 56 H THR 56 -7.285 7.345 -2.195 416 HA THR 56 HA THR 56 -10.195 7.184 -2.519 417 HB THR 56 HB THR 56 -9.217 5.951 -4.726 418 HG1 THR 56 HG1 THR 56 -7.137 7.031 -5.263 419 1HG2 THR 56 1HG2 THR 56 -8.917 8.989 -4.324 420 2HG2 THR 56 2HG2 THR 56 -9.125 8.166 -5.878 421 3HG2 THR 56 3HG2 THR 56 -10.461 8.216 -4.717 422 H ASP 57 H ASP 57 -11.251 5.284 -2.613 423 HA ASP 57 HA ASP 57 -10.492 3.326 -0.774 424 1HB ASP 57 1HB ASP 57 -12.716 3.761 -2.628 425 2HB ASP 57 2HB ASP 57 -12.301 2.050 -2.425 426 NH1 ARG 58 NH2 ARG 58 -12.131 -5.065 -3.885 427 NH2 ARG 58 NH1 ARG 58 -13.960 -3.667 -3.610 428 H ARG 58 H ARG 58 -9.473 1.412 -1.057 429 HA ARG 58 HA ARG 58 -7.971 -0.079 -1.944 430 1HB ARG 58 1HB ARG 58 -10.330 -0.004 -3.774 431 2HB ARG 58 2HB ARG 58 -8.874 -0.833 -4.351 432 1HG ARG 58 1HG ARG 58 -8.882 -2.095 -2.132 433 2HG ARG 58 2HG ARG 58 -10.507 -1.438 -1.875 434 1HD ARG 58 1HD ARG 58 -10.018 -2.725 -4.511 435 2HD ARG 58 2HD ARG 58 -10.041 -3.805 -3.106 436 HE ARG 58 HE ARG 58 -12.249 -1.933 -3.304 437 1HH1 ARG 58 1HH2 ARG 58 -11.189 -5.182 -3.915 438 2HH1 ARG 58 2HH2 ARG 58 -12.707 -5.809 -4.018 439 1HH2 ARG 58 1HH1 ARG 58 -14.319 -2.803 -3.447 440 2HH2 ARG 58 2HH1 ARG 58 -14.542 -4.406 -3.742 441 H CYS 59 H CYS 59 -7.504 2.737 -2.453 442 HA CYS 59 HA CYS 59 -6.515 3.057 -5.117 443 1HB CYS 59 1HB CYS 59 -5.809 5.167 -4.541 444 2HB CYS 59 2HB CYS 59 -7.339 4.918 -3.683 445 H ASN 60 H ASN 60 -5.430 1.687 -2.193 446 HA ASN 60 HA ASN 60 -2.615 1.743 -2.956 447 1HB ASN 60 1HB ASN 60 -2.227 0.707 -0.731 448 2HB ASN 60 2HB ASN 60 -3.081 2.256 -0.607 449 1HD2 ASN 60 2HD2 ASN 60 -4.762 0.058 1.683 450 2HD2 ASN 60 1HD2 ASN 60 -3.318 0.830 1.517 451 H ASN 61 H ASN 61 -3.052 0.322 -4.763 452 HA ASN 61 HA ASN 61 -3.162 -2.504 -3.986 453 1HB ASN 61 1HB ASN 61 -5.280 -2.094 -5.045 454 2HB ASN 61 2HB ASN 61 -4.517 -1.155 -6.340 455 1HD2 ASN 61 2HD2 ASN 61 -4.795 -3.980 -8.268 456 2HD2 ASN 61 1HD2 ASN 61 -5.319 -2.455 -7.945 Start of MODEL 2 Raw file had 456 H/Q atoms Start of MODEL 2 1 1H LEU 1 2H LEU 1 -13.872 3.213 5.516 2 2H LEU 1 3H LEU 1 -12.648 3.777 6.156 3 3H LEU 1 1H LEU 1 -13.622 4.683 5.481 4 HA LEU 1 HA LEU 1 -13.153 3.793 3.294 5 1HB LEU 1 1HB LEU 1 -11.711 5.649 4.533 6 2HB LEU 1 2HB LEU 1 -10.472 4.385 4.462 7 HG LEU 1 HG LEU 1 -11.756 4.798 1.885 8 1HD1 LEU 1 3HD1 LEU 1 -12.151 7.026 2.624 9 2HD1 LEU 1 1HD1 LEU 1 -10.454 7.206 3.102 10 3HD1 LEU 1 2HD1 LEU 1 -10.876 6.994 1.394 11 1HD2 LEU 1 3HD2 LEU 1 -8.888 5.083 2.853 12 2HD2 LEU 1 1HD2 LEU 1 -9.622 3.600 2.221 13 3HD2 LEU 1 2HD2 LEU 1 -9.405 5.003 1.161 14 H GLU 2 H GLU 2 -12.777 2.069 2.247 15 HA GLU 2 HA GLU 2 -11.415 -0.146 3.592 16 1HB GLU 2 1HB GLU 2 -13.909 -0.126 2.442 17 2HB GLU 2 2HB GLU 2 -12.905 -0.734 1.114 18 1HG GLU 2 1HG GLU 2 -11.949 -2.427 2.701 19 2HG GLU 2 2HG GLU 2 -13.114 -1.877 3.918 20 H CYS 3 H CYS 3 -9.567 -0.819 2.922 21 HA CYS 3 HA CYS 3 -8.639 -0.141 0.219 22 1HB CYS 3 1HB CYS 3 -7.091 0.137 2.763 23 2HB CYS 3 2HB CYS 3 -6.370 0.126 1.145 24 H HIS 4 H HIS 4 -6.644 -1.543 -0.239 25 HA HIS 4 HA HIS 4 -7.376 -4.295 0.082 26 1HB HIS 4 1HB HIS 4 -5.161 -2.988 -1.428 27 2HB HIS 4 2HB HIS 4 -5.411 -4.740 -1.332 28 HD2 HIS 4 HD2 HIS 4 -6.909 -1.619 -3.122 29 HE1 HIS 4 HE1 HIS 4 -9.038 -5.037 -4.468 30 H ASN 5 H ASN 5 -5.844 -5.887 0.844 31 HA ASN 5 HA ASN 5 -4.045 -4.914 2.953 32 1HB ASN 5 1HB ASN 5 -4.653 -7.386 3.840 33 2HB ASN 5 2HB ASN 5 -5.574 -5.947 4.311 34 1HD2 ASN 5 2HD2 ASN 5 -8.399 -7.655 3.407 35 2HD2 ASN 5 1HD2 ASN 5 -7.477 -7.000 4.603 36 H GLN 6 H GLN 6 -4.727 -7.264 0.469 37 HA GLN 6 HA GLN 6 -2.879 -9.189 0.614 38 1HB GLN 6 1HB GLN 6 -2.568 -8.776 -1.958 39 2HB GLN 6 2HB GLN 6 -4.071 -9.423 -1.278 40 1HG GLN 6 1HG GLN 6 -5.249 -7.501 -1.689 41 2HG GLN 6 2HG GLN 6 -3.836 -6.457 -1.451 42 1HE2 GLN 6 2HE2 GLN 6 -5.053 -6.791 -5.029 43 2HE2 GLN 6 1HE2 GLN 6 -5.875 -6.663 -3.607 44 H GLN 7 H GLN 7 -0.720 -9.431 0.206 45 HA GLN 7 HA GLN 7 0.898 -6.989 0.016 46 1HB GLN 7 1HB GLN 7 0.874 -8.921 2.074 47 2HB GLN 7 2HB GLN 7 2.416 -9.053 1.212 48 1HG GLN 7 1HG GLN 7 1.889 -6.286 1.467 49 2HG GLN 7 2HG GLN 7 1.525 -7.008 3.045 50 1HE2 GLN 7 2HE2 GLN 7 4.747 -7.665 3.950 51 2HE2 GLN 7 1HE2 GLN 7 3.138 -7.749 4.284 52 H SER 8 H SER 8 2.718 -7.080 -1.256 53 HA SER 8 HA SER 8 4.073 -7.667 -3.006 54 1HB SER 8 1HB SER 8 3.494 -10.253 -1.686 55 2HB SER 8 2HB SER 8 4.166 -10.291 -3.326 56 HG SER 8 HG SER 8 5.857 -10.383 -1.673 57 H SER 9 H SER 9 2.290 -10.548 -3.547 58 HA SER 9 HA SER 9 0.695 -9.315 -5.664 59 1HB SER 9 1HB SER 9 2.137 -11.951 -6.013 60 2HB SER 9 2HB SER 9 1.277 -11.007 -7.241 61 HG SER 9 HG SER 9 3.626 -10.828 -7.472 62 H GLN 10 H GLN 10 -0.073 -10.072 -3.062 63 HA GLN 10 HA GLN 10 -1.325 -12.586 -2.938 64 1HB GLN 10 1HB GLN 10 -1.137 -10.270 -1.258 65 2HB GLN 10 2HB GLN 10 -2.796 -10.892 -1.301 66 1HG GLN 10 1HG GLN 10 -2.157 -13.005 -0.498 67 2HG GLN 10 2HG GLN 10 -0.457 -12.760 -0.937 68 1HE2 GLN 10 2HE2 GLN 10 0.157 -12.180 2.380 69 2HE2 GLN 10 1HE2 GLN 10 0.349 -13.150 1.065 70 HA PRO 11 HA PRO 11 -5.130 -11.920 -4.982 71 1HB PRO 11 1HB PRO 11 -7.068 -12.705 -3.154 72 2HB PRO 11 2HB PRO 11 -6.074 -13.826 -4.102 73 1HG PRO 11 1HG PRO 11 -5.925 -13.162 -1.236 74 2HG PRO 11 2HG PRO 11 -5.256 -14.556 -2.103 75 1HD PRO 11 2HD PRO 11 -3.846 -12.250 -1.169 76 2HD PRO 11 1HD PRO 11 -3.201 -13.587 -2.137 77 HA PRO 12 HA PRO 12 -7.020 -8.137 -4.098 78 1HB PRO 12 1HB PRO 12 -9.577 -8.478 -5.130 79 2HB PRO 12 2HB PRO 12 -8.138 -8.154 -6.111 80 1HG PRO 12 1HG PRO 12 -9.660 -10.655 -5.796 81 2HG PRO 12 2HG PRO 12 -8.513 -10.191 -7.064 82 1HD PRO 12 2HD PRO 12 -8.051 -11.963 -4.868 83 2HD PRO 12 1HD PRO 12 -6.872 -11.406 -6.068 84 H THR 13 H THR 13 -6.913 -8.421 -1.857 85 HA THR 13 HA THR 13 -9.499 -8.932 -0.552 86 HB THR 13 HB THR 13 -7.877 -9.277 1.499 87 HG1 THR 13 HG1 THR 13 -5.693 -9.932 0.734 88 1HG2 THR 13 1HG2 THR 13 -7.598 -11.207 -0.884 89 2HG2 THR 13 2HG2 THR 13 -7.349 -11.624 0.819 90 3HG2 THR 13 3HG2 THR 13 -8.976 -11.243 0.230 91 H THR 14 H THR 14 -10.374 -7.494 0.719 92 HA THR 14 HA THR 14 -8.984 -4.937 1.125 93 HB THR 14 HB THR 14 -11.970 -5.020 0.726 94 HG1 THR 14 HG1 THR 14 -11.564 -4.994 -1.644 95 1HG2 THR 14 1HG2 THR 14 -9.740 -3.240 -0.429 96 2HG2 THR 14 2HG2 THR 14 -11.478 -2.910 -0.517 97 3HG2 THR 14 3HG2 THR 14 -10.639 -2.827 1.041 98 H LYS 15 H LYS 15 -10.117 -3.616 2.800 99 HA LYS 15 HA LYS 15 -11.560 -4.855 4.881 100 1HB LYS 15 1HB LYS 15 -8.861 -5.533 4.891 101 2HB LYS 15 2HB LYS 15 -8.952 -4.179 6.030 102 1HG LYS 15 1HG LYS 15 -10.420 -5.309 7.456 103 2HG LYS 15 2HG LYS 15 -10.955 -6.420 6.184 104 1HD LYS 15 1HD LYS 15 -9.291 -7.884 6.611 105 2HD LYS 15 2HD LYS 15 -8.079 -6.598 6.742 106 1HE LYS 15 1HE LYS 15 -9.571 -6.211 9.022 107 2HE LYS 15 2HE LYS 15 -9.606 -7.975 8.852 108 1HZ LYS 15 1HZ LYS 15 -7.146 -6.391 8.917 109 2HZ LYS 15 2HZ LYS 15 -7.621 -7.239 10.048 110 3HZ LYS 15 3HZ LYS 15 -7.177 -7.875 8.774 111 H THR 16 H THR 16 -11.948 -3.472 6.642 112 HA THR 16 HA THR 16 -12.014 -0.695 5.786 113 HB THR 16 HB THR 16 -13.608 -2.322 7.748 114 HG1 THR 16 HG1 THR 16 -15.294 -1.518 6.233 115 1HG2 THR 16 1HG2 THR 16 -13.803 0.687 7.123 116 2HG2 THR 16 2HG2 THR 16 -14.897 -0.225 8.177 117 3HG2 THR 16 3HG2 THR 16 -13.221 0.060 8.674 118 H CYS 17 H CYS 17 -10.874 0.844 6.750 119 HA CYS 17 HA CYS 17 -9.031 0.138 8.879 120 1HB CYS 17 1HB CYS 17 -9.226 2.613 7.148 121 2HB CYS 17 2HB CYS 17 -8.028 2.372 8.432 122 H SER 18 H SER 18 -8.822 1.471 10.724 123 HA SER 18 HA SER 18 -11.403 2.420 11.689 124 1HB SER 18 1HB SER 18 -8.886 2.014 13.319 125 2HB SER 18 2HB SER 18 -10.554 2.156 13.902 126 HG SER 18 HG SER 18 -9.775 -0.079 13.983 127 H GLY 19 H GLY 19 -11.815 4.454 12.031 128 1HA GLY 19 1HA GLY 19 -11.607 6.736 11.715 129 2HA GLY 19 2HA GLY 19 -10.417 6.506 13.008 130 H GLU 20 H GLU 20 -10.437 5.594 9.589 131 HA GLU 20 HA GLU 20 -8.263 7.414 8.991 132 1HB GLU 20 1HB GLU 20 -7.135 5.424 9.847 133 2HB GLU 20 2HB GLU 20 -7.914 4.456 8.584 134 1HG GLU 20 1HG GLU 20 -5.551 5.244 8.069 135 2HG GLU 20 2HG GLU 20 -6.774 5.636 6.848 136 H THR 21 H THR 21 -8.569 8.234 7.049 137 HA THR 21 HA THR 21 -10.202 6.791 5.082 138 HB THR 21 HB THR 21 -11.539 8.546 6.022 139 HG1 THR 21 HG1 THR 21 -11.853 9.752 3.965 140 1HG2 THR 21 1HG2 THR 21 -9.334 10.434 4.996 141 2HG2 THR 21 2HG2 THR 21 -10.853 10.934 5.758 142 3HG2 THR 21 3HG2 THR 21 -9.608 10.117 6.718 143 H ASN 22 H ASN 22 -7.319 6.820 5.406 144 HA ASN 22 HA ASN 22 -6.577 7.761 2.747 145 1HB ASN 22 1HB ASN 22 -5.066 8.355 5.310 146 2HB ASN 22 2HB ASN 22 -4.359 8.511 3.693 147 1HD2 ASN 22 2HD2 ASN 22 -7.269 11.061 5.029 148 2HD2 ASN 22 1HD2 ASN 22 -7.075 9.560 5.675 149 H CYS 23 H CYS 23 -4.801 6.624 1.888 150 HA CYS 23 HA CYS 23 -3.645 4.409 3.328 151 1HB CYS 23 1HB CYS 23 -5.333 3.995 0.852 152 2HB CYS 23 2HB CYS 23 -4.241 2.784 1.544 153 OH TYR 24 OH TYR 24 2.627 1.518 5.604 154 H TYR 24 H TYR 24 -1.862 3.502 2.211 155 HA TYR 24 HA TYR 24 -0.811 5.041 -0.031 156 1HB TYR 24 1HB TYR 24 1.234 5.483 1.187 157 2HB TYR 24 2HB TYR 24 -0.078 5.879 2.310 158 HD1 TYR 24 HD2 TYR 24 -0.578 4.396 4.212 159 HD2 TYR 24 HD1 TYR 24 2.727 3.651 1.613 160 HE1 TYR 24 HE2 TYR 24 0.414 2.801 5.918 161 HE2 TYR 24 HE1 TYR 24 3.707 2.059 3.328 162 HH TYR 24 HH TYR 24 1.976 1.469 6.471 163 H LYS 25 H LYS 25 1.008 4.005 -1.050 164 HA LYS 25 HA LYS 25 1.032 1.086 -0.717 165 1HB LYS 25 1HB LYS 25 1.474 2.497 -3.308 166 2HB LYS 25 2HB LYS 25 1.250 0.765 -3.004 167 1HG LYS 25 1HG LYS 25 -1.026 0.990 -2.603 168 2HG LYS 25 2HG LYS 25 -0.880 2.691 -2.123 169 1HD LYS 25 1HD LYS 25 -1.902 2.812 -4.231 170 2HD LYS 25 2HD LYS 25 -0.191 3.099 -4.592 171 1HE LYS 25 1HE LYS 25 -0.246 1.377 -6.029 172 2HE LYS 25 2HE LYS 25 -0.572 0.289 -4.668 173 1HZ LYS 25 1HZ LYS 25 -2.658 1.650 -6.206 174 2HZ LYS 25 2HZ LYS 25 -2.351 0.196 -6.323 175 3HZ LYS 25 3HZ LYS 25 -2.933 0.735 -5.060 176 H LYS 26 H LYS 26 2.977 0.127 -0.556 177 HA LYS 26 HA LYS 26 5.423 1.689 -0.932 178 1HB LYS 26 1HB LYS 26 6.279 0.556 1.179 179 2HB LYS 26 2HB LYS 26 5.247 1.992 1.295 180 1HG LYS 26 1HG LYS 26 3.358 0.721 1.932 181 2HG LYS 26 2HG LYS 26 4.090 -0.798 1.386 182 1HD LYS 26 1HD LYS 26 5.269 0.840 3.639 183 2HD LYS 26 2HD LYS 26 4.023 -0.388 3.917 184 1HE LYS 26 1HE LYS 26 5.464 -2.106 2.928 185 2HE LYS 26 2HE LYS 26 6.700 -0.887 2.571 186 1HZ LYS 26 1HZ LYS 26 5.851 -1.605 5.278 187 2HZ LYS 26 2HZ LYS 26 7.153 -2.016 4.677 188 3HZ LYS 26 3HZ LYS 26 6.891 -0.578 4.977 189 CH2 TRP 27 CH2 TRP 27 4.468 3.070 -5.468 190 H TRP 27 H TRP 27 6.873 0.597 -2.062 191 HA TRP 27 HA TRP 27 7.105 -2.272 -1.970 192 1HB TRP 27 1HB TRP 27 6.844 -2.607 -4.357 193 2HB TRP 27 2HB TRP 27 5.358 -1.916 -3.683 194 HD1 TRP 27 HD1 TRP 27 7.940 -1.273 -6.346 195 HE1 TRP 27 HE1 TRP 27 7.425 0.923 -7.548 196 HE3 TRP 27 HE3 TRP 27 4.401 0.494 -3.168 197 HZ2 TRP 27 HZ2 TRP 27 5.735 3.171 -7.236 198 HZ3 TRP 27 HZ3 TRP 27 3.369 2.699 -3.689 199 HH2 TRP 27 HH2 TRP 27 3.983 4.025 -5.643 200 CH2 TRP 28 CH2 TRP 28 9.620 -4.686 2.057 201 H TRP 28 H TRP 28 9.004 -2.986 -3.133 202 HA TRP 28 HA TRP 28 10.995 -1.067 -3.915 203 1HB TRP 28 1HB TRP 28 12.538 -1.318 -2.232 204 2HB TRP 28 2HB TRP 28 10.995 -0.980 -1.429 205 HD1 TRP 28 HD1 TRP 28 13.499 -3.873 -1.942 206 HE1 TRP 28 HE1 TRP 28 13.070 -5.645 -0.149 207 HE3 TRP 28 HE3 TRP 28 9.295 -1.875 0.077 208 HZ2 TRP 28 HZ2 TRP 28 11.195 -6.183 1.901 209 HZ3 TRP 28 HZ3 TRP 28 8.226 -3.086 1.972 210 HH2 TRP 28 HH2 TRP 28 9.110 -5.168 2.885 211 H SER 29 H SER 29 12.393 -2.045 -5.260 212 HA SER 29 HA SER 29 11.952 -4.780 -6.022 213 1HB SER 29 1HB SER 29 14.102 -3.036 -7.161 214 2HB SER 29 2HB SER 29 13.215 -4.372 -7.915 215 HG SER 29 HG SER 29 12.537 -2.267 -8.762 216 H ASP 30 H ASP 30 13.426 -6.421 -5.856 217 HA ASP 30 HA ASP 30 15.617 -6.033 -3.953 218 1HB ASP 30 1HB ASP 30 15.438 -8.341 -3.380 219 2HB ASP 30 2HB ASP 30 13.810 -7.644 -3.318 220 H HIS 31 H HIS 31 16.926 -8.418 -4.494 221 HA HIS 31 HA HIS 31 18.750 -7.819 -6.447 222 1HB HIS 31 1HB HIS 31 18.097 -10.213 -4.921 223 2HB HIS 31 2HB HIS 31 18.959 -10.471 -6.448 224 HD2 HIS 31 HD2 HIS 31 20.554 -7.367 -5.702 225 HE1 HIS 31 HE1 HIS 31 22.532 -9.982 -3.006 226 NH1 ARG 32 NH2 ARG 32 16.651 -10.719 -14.537 227 NH2 ARG 32 NH1 ARG 32 18.774 -11.579 -14.896 228 H ARG 32 H ARG 32 16.280 -10.345 -6.744 229 HA ARG 32 HA ARG 32 15.835 -9.594 -9.530 230 1HB ARG 32 1HB ARG 32 16.842 -12.194 -8.494 231 2HB ARG 32 2HB ARG 32 15.569 -12.275 -9.723 232 1HG ARG 32 1HG ARG 32 17.761 -10.361 -10.284 233 2HG ARG 32 2HG ARG 32 18.221 -12.073 -10.296 234 1HD ARG 32 1HD ARG 32 16.112 -12.386 -11.796 235 2HD ARG 32 2HD ARG 32 16.221 -10.634 -12.039 236 HE ARG 32 HE ARG 32 18.643 -12.173 -12.516 237 1HH1 ARG 32 1HH2 ARG 32 15.926 -10.554 -13.946 238 2HH1 ARG 32 2HH2 ARG 32 16.597 -10.444 -15.445 239 1HH2 ARG 32 1HH1 ARG 32 19.550 -12.019 -14.570 240 2HH2 ARG 32 2HH1 ARG 32 18.728 -11.307 -15.806 241 H GLY 33 H GLY 33 14.154 -8.770 -7.697 242 1HA GLY 33 1HA GLY 33 11.701 -10.030 -8.386 243 2HA GLY 33 2HA GLY 33 12.130 -10.281 -6.685 244 H THR 34 H THR 34 10.010 -9.054 -6.597 245 HA THR 34 HA THR 34 10.559 -6.298 -5.933 246 HB THR 34 HB THR 34 8.672 -7.157 -8.164 247 HG1 THR 34 HG1 THR 34 9.946 -5.433 -9.256 248 1HG2 THR 34 3HG2 THR 34 7.544 -5.422 -6.614 249 2HG2 THR 34 1HG2 THR 34 8.966 -4.391 -6.842 250 3HG2 THR 34 2HG2 THR 34 7.920 -4.774 -8.219 251 H ILE 35 H ILE 35 9.811 -5.959 -4.057 252 HA ILE 35 HA ILE 35 7.580 -7.556 -3.048 253 HB ILE 35 HB ILE 35 9.670 -5.910 -1.586 254 1HG1 ILE 35 1HG1 ILE 35 9.214 -8.901 -1.491 255 2HG1 ILE 35 2HG1 ILE 35 10.359 -8.144 -2.612 256 1HG2 ILE 35 3HG2 ILE 35 7.601 -5.721 -0.422 257 2HG2 ILE 35 1HG2 ILE 35 7.394 -7.480 -0.433 258 3HG2 ILE 35 2HG2 ILE 35 8.729 -6.752 0.475 259 1HD1 ILE 35 1HD1 ILE 35 10.424 -7.905 0.418 260 2HD1 ILE 35 2HD1 ILE 35 11.501 -8.914 -0.564 261 3HD1 ILE 35 3HD1 ILE 35 11.569 -7.149 -0.702 262 H ILE 36 H ILE 36 5.725 -6.769 -2.517 263 HA ILE 36 HA ILE 36 5.318 -3.870 -2.627 264 HB ILE 36 HB ILE 36 3.375 -5.895 -3.771 265 1HG1 ILE 36 1HG1 ILE 36 4.231 -4.639 -5.967 266 2HG1 ILE 36 2HG1 ILE 36 5.722 -4.522 -5.014 267 1HG2 ILE 36 1HG2 ILE 36 3.461 -2.906 -3.966 268 2HG2 ILE 36 2HG2 ILE 36 2.318 -3.977 -4.793 269 3HG2 ILE 36 3HG2 ILE 36 2.328 -3.890 -3.024 270 1HD1 ILE 36 3HD1 ILE 36 5.704 -6.970 -4.686 271 2HD1 ILE 36 1HD1 ILE 36 4.216 -7.088 -5.638 272 3HD1 ILE 36 2HD1 ILE 36 5.719 -6.557 -6.409 273 H GLU 37 H GLU 37 3.699 -3.044 -1.384 274 HA GLU 37 HA GLU 37 2.198 -4.652 0.432 275 1HB GLU 37 1HB GLU 37 4.205 -4.816 1.696 276 2HB GLU 37 2HB GLU 37 4.620 -3.119 1.398 277 1HG GLU 37 1HG GLU 37 3.796 -3.343 3.671 278 2HG GLU 37 2HG GLU 37 2.607 -2.444 2.713 279 NH1 ARG 38 NH2 ARG 38 1.208 -1.396 -3.930 280 NH2 ARG 38 NH1 ARG 38 0.069 -2.268 -5.752 281 H ARG 38 H ARG 38 0.437 -3.676 1.013 282 HA ARG 38 HA ARG 38 0.235 -0.769 0.675 283 1HB ARG 38 1HB ARG 38 -1.786 -2.910 -0.049 284 2HB ARG 38 2HB ARG 38 -2.179 -1.186 0.058 285 1HG ARG 38 1HG ARG 38 -1.692 -1.325 -2.188 286 2HG ARG 38 2HG ARG 38 -0.074 -0.974 -1.558 287 1HD ARG 38 1HD ARG 38 0.677 -3.143 -1.894 288 2HD ARG 38 2HD ARG 38 -0.949 -3.837 -1.769 289 HE ARG 38 HE ARG 38 -1.142 -3.547 -4.041 290 1HH1 ARG 38 1HH2 ARG 38 1.344 -1.362 -2.991 291 2HH1 ARG 38 2HH2 ARG 38 1.736 -0.855 -4.506 292 1HH2 ARG 38 1HH1 ARG 38 -0.595 -2.845 -6.108 293 2HH2 ARG 38 2HH1 ARG 38 0.593 -1.731 -6.334 294 H GLY 39 H GLY 39 -1.229 0.284 2.039 295 1HA GLY 39 1HA GLY 39 -2.650 -0.992 4.128 296 2HA GLY 39 2HA GLY 39 -1.124 -0.304 4.708 297 H CYS 40 H CYS 40 -3.015 0.821 5.929 298 HA CYS 40 HA CYS 40 -4.140 3.098 4.512 299 1HB CYS 40 1HB CYS 40 -4.804 1.668 6.951 300 2HB CYS 40 2HB CYS 40 -4.903 3.434 7.079 301 H GLY 41 H GLY 41 -3.833 5.228 5.445 302 1HA GLY 41 1HA GLY 41 -2.691 6.818 6.789 303 2HA GLY 41 2HA GLY 41 -1.407 5.619 7.019 304 H CYS 42 H CYS 42 -0.219 7.677 6.404 305 HA CYS 42 HA CYS 42 0.579 7.490 3.629 306 1HB CYS 42 1HB CYS 42 -1.170 9.102 3.468 307 2HB CYS 42 2HB CYS 42 -0.427 10.076 4.749 308 HA PRO 43 HA PRO 43 4.002 8.061 6.532 309 1HB PRO 43 1HB PRO 43 5.680 6.231 5.281 310 2HB PRO 43 2HB PRO 43 4.583 5.859 6.623 311 1HG PRO 43 1HG PRO 43 4.345 5.172 3.768 312 2HG PRO 43 2HG PRO 43 3.517 4.465 5.166 313 1HD PRO 43 2HD PRO 43 2.445 6.311 3.264 314 2HD PRO 43 1HD PRO 43 1.658 5.695 4.727 315 H LYS 44 H LYS 44 6.416 8.439 5.932 316 HA LYS 44 HA LYS 44 6.472 10.518 3.938 317 1HB LYS 44 1HB LYS 44 7.790 10.068 6.368 318 2HB LYS 44 2HB LYS 44 9.012 10.171 5.088 319 1HG LYS 44 1HG LYS 44 7.426 12.207 4.325 320 2HG LYS 44 2HG LYS 44 7.092 12.230 6.065 321 1HD LYS 44 1HD LYS 44 9.950 11.980 5.326 322 2HD LYS 44 2HD LYS 44 9.187 13.521 4.897 323 1HE LYS 44 1HE LYS 44 8.437 13.811 7.221 324 2HE LYS 44 2HE LYS 44 9.163 12.254 7.658 325 1HZ LYS 44 3HZ LYS 44 11.306 13.247 7.071 326 2HZ LYS 44 1HZ LYS 44 10.696 14.558 6.703 327 3HZ LYS 44 2HZ LYS 44 10.680 14.099 8.122 328 H VAL 45 H VAL 45 7.542 10.417 2.046 329 HA VAL 45 HA VAL 45 8.286 7.838 1.007 330 HB VAL 45 HB VAL 45 6.989 9.511 -0.338 331 1HG1 VAL 45 1HG1 VAL 45 9.529 11.118 -0.267 332 2HG1 VAL 45 2HG1 VAL 45 8.113 11.447 -1.279 333 3HG1 VAL 45 3HG1 VAL 45 7.981 11.538 0.485 334 1HG2 VAL 45 1HG2 VAL 45 8.300 7.756 -1.481 335 2HG2 VAL 45 2HG2 VAL 45 8.297 9.261 -2.416 336 3HG2 VAL 45 3HG2 VAL 45 9.724 8.809 -1.468 337 H LYS 46 H LYS 46 10.122 6.993 1.381 338 HA LYS 46 HA LYS 46 12.469 8.674 1.839 339 1HB LYS 46 1HB LYS 46 12.886 7.249 3.518 340 2HB LYS 46 2HB LYS 46 11.486 6.261 3.062 341 1HG LYS 46 1HG LYS 46 12.945 5.181 1.302 342 2HG LYS 46 2HG LYS 46 14.323 6.035 2.017 343 1HD LYS 46 1HD LYS 46 12.987 4.812 4.175 344 2HD LYS 46 2HD LYS 46 13.026 3.595 2.887 345 1HE LYS 46 1HE LYS 46 15.580 4.738 2.845 346 2HE LYS 46 2HE LYS 46 15.193 4.587 4.567 347 1HZ LYS 46 3HZ LYS 46 14.738 2.239 4.114 348 2HZ LYS 46 1HZ LYS 46 15.065 2.366 2.665 349 3HZ LYS 46 2HZ LYS 46 16.138 2.525 3.688 350 HA PRO 47 HA PRO 47 14.191 7.709 -1.963 351 1HB PRO 47 1HB PRO 47 16.880 8.013 -1.345 352 2HB PRO 47 2HB PRO 47 15.771 9.356 -1.670 353 1HG PRO 47 1HG PRO 47 16.928 8.464 0.888 354 2HG PRO 47 2HG PRO 47 16.185 10.018 0.472 355 1HD PRO 47 2HD PRO 47 15.023 7.885 1.982 356 2HD PRO 47 1HD PRO 47 14.240 9.390 1.468 357 H GLY 48 H GLY 48 14.699 5.976 -3.047 358 1HA GLY 48 1HA GLY 48 15.904 3.994 -3.523 359 2HA GLY 48 2HA GLY 48 16.176 3.804 -1.782 360 H VAL 49 H VAL 49 13.310 4.496 -1.315 361 HA VAL 49 HA VAL 49 12.130 1.898 -2.012 362 HB VAL 49 HB VAL 49 11.643 3.545 0.452 363 1HG1 VAL 49 3HG1 VAL 49 9.634 2.420 -0.240 364 2HG1 VAL 49 1HG1 VAL 49 10.508 0.887 -0.381 365 3HG1 VAL 49 2HG1 VAL 49 10.317 1.653 1.204 366 1HG2 VAL 49 3HG2 VAL 49 13.083 0.900 0.036 367 2HG2 VAL 49 1HG2 VAL 49 13.854 2.442 0.445 368 3HG2 VAL 49 2HG2 VAL 49 12.757 1.666 1.600 369 H ASN 50 H ASN 50 10.075 1.894 -2.802 370 HA ASN 50 HA ASN 50 9.070 4.369 -3.902 371 1HB ASN 50 1HB ASN 50 7.948 1.565 -4.194 372 2HB ASN 50 2HB ASN 50 7.522 2.987 -5.161 373 1HD2 ASN 50 2HD2 ASN 50 10.431 0.581 -6.270 374 2HD2 ASN 50 1HD2 ASN 50 9.239 0.242 -5.186 375 H LEU 51 H LEU 51 7.394 5.427 -3.056 376 HA LEU 51 HA LEU 51 5.468 4.114 -1.313 377 1HB LEU 51 1HB LEU 51 6.923 4.707 0.315 378 2HB LEU 51 2HB LEU 51 7.293 6.271 -0.431 379 HG LEU 51 HG LEU 51 5.106 7.121 0.194 380 1HD1 LEU 51 3HD1 LEU 51 3.822 5.013 0.055 381 2HD1 LEU 51 1HD1 LEU 51 4.677 4.398 1.479 382 3HD1 LEU 51 2HD1 LEU 51 3.598 5.793 1.629 383 1HD2 LEU 51 1HD2 LEU 51 6.907 7.471 1.709 384 2HD2 LEU 51 2HD2 LEU 51 5.390 7.222 2.590 385 3HD2 LEU 51 3HD2 LEU 51 6.588 5.920 2.503 386 H ASN 52 H ASN 52 3.490 4.841 -1.720 387 HA ASN 52 HA ASN 52 3.106 7.418 -3.053 388 1HB ASN 52 1HB ASN 52 2.938 5.353 -4.605 389 2HB ASN 52 2HB ASN 52 1.435 4.999 -3.737 390 1HD2 ASN 52 2HD2 ASN 52 0.608 6.898 -6.735 391 2HD2 ASN 52 1HD2 ASN 52 1.316 5.456 -6.372 392 H CYS 53 H CYS 53 1.156 8.419 -2.537 393 HA CYS 53 HA CYS 53 -0.401 7.256 -0.331 394 1HB CYS 53 1HB CYS 53 0.519 10.071 -0.692 395 2HB CYS 53 2HB CYS 53 -0.832 9.620 0.361 396 H CYS 54 H CYS 54 -2.609 7.609 -0.431 397 HA CYS 54 HA CYS 54 -3.850 9.134 -2.510 398 1HB CYS 54 1HB CYS 54 -5.145 7.123 -3.349 399 2HB CYS 54 2HB CYS 54 -3.461 7.260 -3.885 400 NH1 ARG 55 NH2 ARG 55 -6.925 14.953 2.163 401 NH2 ARG 55 NH1 ARG 55 -4.646 15.168 1.802 402 H ARG 55 H ARG 55 -6.216 8.977 -2.326 403 HA ARG 55 HA ARG 55 -7.085 8.334 0.400 404 1HB ARG 55 1HB ARG 55 -7.829 10.813 -1.163 405 2HB ARG 55 2HB ARG 55 -8.471 10.347 0.422 406 1HG ARG 55 1HG ARG 55 -6.017 10.312 1.204 407 2HG ARG 55 2HG ARG 55 -5.658 11.187 -0.295 408 1HD ARG 55 1HD ARG 55 -7.610 12.767 0.504 409 2HD ARG 55 2HD ARG 55 -7.248 12.080 2.097 410 HE ARG 55 HE ARG 55 -4.837 12.875 0.946 411 1HH1 ARG 55 1HH2 ARG 55 -7.715 14.428 2.111 412 2HH1 ARG 55 2HH2 ARG 55 -6.963 15.835 2.514 413 1HH2 ARG 55 1HH1 ARG 55 -3.822 14.804 1.500 414 2HH2 ARG 55 2HH1 ARG 55 -4.676 16.051 2.152 415 H THR 56 H THR 56 -7.346 7.057 -2.306 416 HA THR 56 HA THR 56 -10.256 7.075 -2.625 417 HB THR 56 HB THR 56 -9.412 5.779 -4.819 418 HG1 THR 56 HG1 THR 56 -7.331 6.814 -5.435 419 1HG2 THR 56 1HG2 THR 56 -9.025 8.807 -4.415 420 2HG2 THR 56 2HG2 THR 56 -9.313 7.998 -5.965 421 3HG2 THR 56 3HG2 THR 56 -10.602 8.073 -4.751 422 H ASP 57 H ASP 57 -11.374 5.148 -2.629 423 HA ASP 57 HA ASP 57 -10.582 3.151 -0.836 424 1HB ASP 57 1HB ASP 57 -12.962 3.831 -1.831 425 2HB ASP 57 2HB ASP 57 -12.582 2.514 -2.955 426 NH1 ARG 58 NH2 ARG 58 -12.964 -3.611 -5.488 427 NH2 ARG 58 NH1 ARG 58 -14.603 -2.958 -3.986 428 H ARG 58 H ARG 58 -9.643 1.216 -1.160 429 HA ARG 58 HA ARG 58 -8.229 -0.323 -2.102 430 1HB ARG 58 1HB ARG 58 -10.567 -0.092 -3.965 431 2HB ARG 58 2HB ARG 58 -9.163 -1.046 -4.472 432 1HG ARG 58 1HG ARG 58 -9.336 -2.301 -2.292 433 2HG ARG 58 2HG ARG 58 -10.862 -1.451 -1.993 434 1HD ARG 58 1HD ARG 58 -10.716 -2.690 -4.656 435 2HD ARG 58 2HD ARG 58 -10.607 -3.857 -3.328 436 HE ARG 58 HE ARG 58 -12.690 -2.394 -2.555 437 1HH1 ARG 58 1HH2 ARG 58 -12.043 -3.714 -5.700 438 2HH1 ARG 58 2HH2 ARG 58 -13.628 -3.863 -6.119 439 1HH2 ARG 58 1HH1 ARG 58 -14.852 -2.602 -3.141 440 2HH2 ARG 58 2HH1 ARG 58 -15.273 -3.208 -4.611 441 H CYS 59 H CYS 59 -7.684 2.501 -2.573 442 HA CYS 59 HA CYS 59 -6.755 2.908 -5.224 443 1HB CYS 59 1HB CYS 59 -5.738 4.879 -4.482 444 2HB CYS 59 2HB CYS 59 -7.340 4.746 -3.735 445 H ASN 60 H ASN 60 -5.484 1.549 -2.289 446 HA ASN 60 HA ASN 60 -2.812 1.234 -3.413 447 1HB ASN 60 1HB ASN 60 -2.236 0.340 -1.157 448 2HB ASN 60 2HB ASN 60 -2.870 1.993 -1.100 449 1HD2 ASN 60 2HD2 ASN 60 -4.528 0.412 1.617 450 2HD2 ASN 60 1HD2 ASN 60 -3.067 1.037 1.188 451 H ASN 61 H ASN 61 -3.621 -0.289 -4.995 452 HA ASN 61 HA ASN 61 -4.051 -2.989 -3.917 453 1HB ASN 61 1HB ASN 61 -6.052 -2.211 -5.117 454 2HB ASN 61 2HB ASN 61 -5.061 -1.816 -6.532 455 1HD2 ASN 61 2HD2 ASN 61 -6.645 -5.012 -7.178 456 2HD2 ASN 61 1HD2 ASN 61 -7.098 -3.449 -6.933 Start of MODEL 3 Raw file had 456 H/Q atoms Start of MODEL 3 1 1H LEU 1 3H LEU 1 -14.521 2.993 5.001 2 2H LEU 1 1H LEU 1 -13.502 3.464 5.983 3 3H LEU 1 2H LEU 1 -14.251 4.452 5.154 4 HA LEU 1 HA LEU 1 -13.226 3.713 3.099 5 1HB LEU 1 1HB LEU 1 -12.268 5.491 4.723 6 2HB LEU 1 2HB LEU 1 -10.967 4.298 4.879 7 HG LEU 1 HG LEU 1 -11.754 4.912 2.108 8 1HD1 LEU 1 1HD1 LEU 1 -10.542 7.085 3.776 9 2HD1 LEU 1 2HD1 LEU 1 -10.658 7.062 2.008 10 3HD1 LEU 1 3HD1 LEU 1 -12.131 7.089 2.992 11 1HD2 LEU 1 1HD2 LEU 1 -9.799 3.517 2.687 12 2HD2 LEU 1 2HD2 LEU 1 -9.303 4.986 1.831 13 3HD2 LEU 1 3HD2 LEU 1 -9.098 4.872 3.587 14 H GLU 2 H GLU 2 -12.655 1.872 2.201 15 HA GLU 2 HA GLU 2 -11.430 -0.244 3.812 16 1HB GLU 2 1HB GLU 2 -12.566 -1.811 2.594 17 2HB GLU 2 2HB GLU 2 -13.693 -0.463 2.372 18 1HG GLU 2 1HG GLU 2 -12.363 0.116 0.270 19 2HG GLU 2 2HG GLU 2 -11.575 -1.460 0.455 20 H CYS 3 H CYS 3 -9.441 -0.740 3.521 21 HA CYS 3 HA CYS 3 -8.055 0.129 1.079 22 1HB CYS 3 1HB CYS 3 -6.863 -0.214 3.801 23 2HB CYS 3 2HB CYS 3 -6.028 0.290 2.322 24 H HIS 4 H HIS 4 -6.264 -1.303 0.483 25 HA HIS 4 HA HIS 4 -7.064 -4.052 0.458 26 1HB HIS 4 1HB HIS 4 -5.024 -2.460 -0.949 27 2HB HIS 4 2HB HIS 4 -4.812 -4.215 -0.826 28 HD2 HIS 4 HD2 HIS 4 -6.660 -1.685 -2.989 29 HE1 HIS 4 HE1 HIS 4 -8.490 -5.440 -3.751 30 H ASN 5 H ASN 5 -5.657 -5.771 1.113 31 HA ASN 5 HA ASN 5 -3.889 -5.107 3.361 32 1HB ASN 5 1HB ASN 5 -4.552 -7.639 3.939 33 2HB ASN 5 2HB ASN 5 -5.521 -6.264 4.500 34 1HD2 ASN 5 2HD2 ASN 5 -8.256 -7.900 3.244 35 2HD2 ASN 5 1HD2 ASN 5 -7.419 -7.375 4.560 36 H GLN 6 H GLN 6 -4.583 -7.321 0.718 37 HA GLN 6 HA GLN 6 -2.475 -9.068 0.837 38 1HB GLN 6 1HB GLN 6 -2.607 -9.004 -1.751 39 2HB GLN 6 2HB GLN 6 -4.038 -9.536 -0.852 40 1HG GLN 6 1HG GLN 6 -5.263 -7.741 -1.499 41 2HG GLN 6 2HG GLN 6 -3.900 -6.624 -1.318 42 1HE2 GLN 6 2HE2 GLN 6 -4.071 -6.275 -4.737 43 2HE2 GLN 6 1HE2 GLN 6 -4.386 -5.624 -3.258 44 H GLN 7 H GLN 7 -0.453 -9.146 -0.087 45 HA GLN 7 HA GLN 7 0.791 -6.612 -0.829 46 1HB GLN 7 1HB GLN 7 2.602 -6.840 0.663 47 2HB GLN 7 2HB GLN 7 1.105 -6.961 1.604 48 1HG GLN 7 1HG GLN 7 2.151 -9.537 0.598 49 2HG GLN 7 2HG GLN 7 3.191 -8.723 1.780 50 1HE2 GLN 7 2HE2 GLN 7 1.379 -9.682 4.471 51 2HE2 GLN 7 1HE2 GLN 7 2.794 -9.195 3.788 52 H SER 8 H SER 8 2.870 -6.923 -1.850 53 HA SER 8 HA SER 8 4.317 -7.858 -3.359 54 1HB SER 8 1HB SER 8 3.492 -10.177 -1.708 55 2HB SER 8 2HB SER 8 4.279 -10.497 -3.263 56 HG SER 8 HG SER 8 5.837 -10.414 -1.483 57 H SER 9 H SER 9 2.311 -10.659 -3.523 58 HA SER 9 HA SER 9 0.873 -9.709 -5.866 59 1HB SER 9 1HB SER 9 3.149 -11.461 -5.986 60 2HB SER 9 2HB SER 9 1.695 -12.364 -6.447 61 HG SER 9 HG SER 9 2.755 -11.375 -8.318 62 H GLN 10 H GLN 10 0.126 -10.314 -3.163 63 HA GLN 10 HA GLN 10 -1.158 -12.818 -2.967 64 1HB GLN 10 1HB GLN 10 -0.805 -10.549 -1.290 65 2HB GLN 10 2HB GLN 10 -2.518 -11.000 -1.320 66 1HG GLN 10 1HG GLN 10 -1.933 -12.535 0.234 67 2HG GLN 10 2HG GLN 10 -1.297 -13.453 -1.142 68 1HE2 GLN 10 2HE2 GLN 10 1.685 -13.641 0.517 69 2HE2 GLN 10 1HE2 GLN 10 0.360 -14.406 -0.091 70 HA PRO 11 HA PRO 11 -4.972 -12.077 -4.965 71 1HB PRO 11 1HB PRO 11 -6.864 -12.993 -3.150 72 2HB PRO 11 2HB PRO 11 -5.873 -14.044 -4.177 73 1HG PRO 11 1HG PRO 11 -5.680 -13.540 -1.283 74 2HG PRO 11 2HG PRO 11 -5.009 -14.873 -2.239 75 1HD PRO 11 2HD PRO 11 -3.609 -12.606 -1.201 76 2HD PRO 11 1HD PRO 11 -2.966 -13.877 -2.255 77 HA PRO 12 HA PRO 12 -6.923 -8.392 -3.831 78 1HB PRO 12 1HB PRO 12 -9.519 -8.745 -4.750 79 2HB PRO 12 2HB PRO 12 -8.136 -8.352 -5.786 80 1HG PRO 12 1HG PRO 12 -9.594 -10.895 -5.504 81 2HG PRO 12 2HG PRO 12 -8.521 -10.355 -6.806 82 1HD PRO 12 2HD PRO 12 -7.915 -12.205 -4.711 83 2HD PRO 12 1HD PRO 12 -6.808 -11.575 -5.943 84 H THR 13 H THR 13 -7.093 -7.990 -1.786 85 HA THR 13 HA THR 13 -9.493 -8.798 -0.344 86 HB THR 13 HB THR 13 -7.934 -9.283 1.645 87 HG1 THR 13 HG1 THR 13 -5.704 -10.020 0.770 88 1HG2 THR 13 3HG2 THR 13 -9.090 -11.110 0.457 89 2HG2 THR 13 1HG2 THR 13 -7.778 -11.166 -0.733 90 3HG2 THR 13 2HG2 THR 13 -7.462 -11.598 0.956 91 H THR 14 H THR 14 -10.256 -7.382 1.038 92 HA THR 14 HA THR 14 -8.737 -4.984 1.697 93 HB THR 14 HB THR 14 -11.549 -4.589 0.711 94 HG1 THR 14 HG1 THR 14 -10.698 -4.589 -1.538 95 1HG2 THR 14 1HG2 THR 14 -8.886 -3.181 0.079 96 2HG2 THR 14 2HG2 THR 14 -10.501 -2.569 -0.315 97 3HG2 THR 14 3HG2 THR 14 -9.974 -2.653 1.374 98 H LYS 15 H LYS 15 -9.953 -3.609 3.223 99 HA LYS 15 HA LYS 15 -11.992 -4.669 4.852 100 1HB LYS 15 1HB LYS 15 -9.525 -5.853 5.335 101 2HB LYS 15 2HB LYS 15 -9.611 -4.570 6.555 102 1HG LYS 15 1HG LYS 15 -10.959 -5.875 7.779 103 2HG LYS 15 2HG LYS 15 -12.168 -5.791 6.486 104 1HD LYS 15 1HD LYS 15 -11.433 -7.800 5.504 105 2HD LYS 15 2HD LYS 15 -9.876 -7.750 6.350 106 1HE LYS 15 1HE LYS 15 -10.743 -8.622 8.287 107 2HE LYS 15 2HE LYS 15 -12.332 -7.873 8.039 108 1HZ LYS 15 3HZ LYS 15 -12.727 -9.600 6.370 109 2HZ LYS 15 1HZ LYS 15 -11.391 -10.229 6.579 110 3HZ LYS 15 2HZ LYS 15 -12.414 -10.275 7.663 111 H THR 16 H THR 16 -12.507 -3.337 6.617 112 HA THR 16 HA THR 16 -12.188 -0.574 5.961 113 HB THR 16 HB THR 16 -13.756 -2.040 8.086 114 HG1 THR 16 HG1 THR 16 -15.499 -1.295 6.606 115 1HG2 THR 16 3HG2 THR 16 -13.212 0.394 8.767 116 2HG2 THR 16 1HG2 THR 16 -13.867 0.909 7.204 117 3HG2 THR 16 2HG2 THR 16 -14.927 0.145 8.400 118 H CYS 17 H CYS 17 -10.814 0.810 6.832 119 HA CYS 17 HA CYS 17 -8.948 -0.088 8.866 120 1HB CYS 17 1HB CYS 17 -8.963 2.125 6.856 121 2HB CYS 17 2HB CYS 17 -7.993 2.311 8.328 122 H SER 18 H SER 18 -8.350 1.599 10.503 123 HA SER 18 HA SER 18 -10.631 2.166 12.085 124 1HB SER 18 1HB SER 18 -7.838 3.261 12.501 125 2HB SER 18 2HB SER 18 -9.112 3.046 13.715 126 HG SER 18 HG SER 18 -7.433 1.383 13.887 127 H GLY 19 H GLY 19 -9.571 4.705 13.086 128 1HA GLY 19 1HA GLY 19 -11.206 6.458 11.614 129 2HA GLY 19 2HA GLY 19 -10.085 6.926 12.904 130 H GLU 20 H GLU 20 -9.782 5.563 9.644 131 HA GLU 20 HA GLU 20 -7.943 7.730 8.938 132 1HB GLU 20 1HB GLU 20 -7.208 5.042 9.267 133 2HB GLU 20 2HB GLU 20 -7.363 5.263 7.516 134 1HG GLU 20 1HG GLU 20 -5.711 6.996 9.383 135 2HG GLU 20 2HG GLU 20 -5.073 5.761 8.284 136 H THR 21 H THR 21 -8.096 8.551 6.961 137 HA THR 21 HA THR 21 -10.195 7.509 5.198 138 HB THR 21 HB THR 21 -10.805 9.890 4.730 139 HG1 THR 21 HG1 THR 21 -9.916 11.471 6.309 140 1HG2 THR 21 1HG2 THR 21 -10.775 9.208 7.733 141 2HG2 THR 21 2HG2 THR 21 -11.895 10.326 6.936 142 3HG2 THR 21 3HG2 THR 21 -12.001 8.588 6.614 143 H ASN 22 H ASN 22 -7.312 7.122 5.151 144 HA ASN 22 HA ASN 22 -6.810 7.962 2.421 145 1HB ASN 22 1HB ASN 22 -4.841 8.499 4.672 146 2HB ASN 22 2HB ASN 22 -4.544 8.761 2.945 147 1HD2 ASN 22 2HD2 ASN 22 -7.131 11.160 5.031 148 2HD2 ASN 22 1HD2 ASN 22 -6.858 9.601 5.480 149 H CYS 23 H CYS 23 -5.191 6.691 1.432 150 HA CYS 23 HA CYS 23 -4.057 4.450 2.873 151 1HB CYS 23 1HB CYS 23 -5.671 3.986 0.365 152 2HB CYS 23 2HB CYS 23 -4.906 2.772 1.405 153 OH TYR 24 OH TYR 24 2.708 2.115 5.191 154 H TYR 24 H TYR 24 -2.194 3.751 2.021 155 HA TYR 24 HA TYR 24 -1.240 4.971 -0.462 156 1HB TYR 24 1HB TYR 24 0.750 5.687 0.653 157 2HB TYR 24 2HB TYR 24 -0.528 6.043 1.829 158 HD1 TYR 24 HD2 TYR 24 -0.780 4.670 3.846 159 HD2 TYR 24 HD1 TYR 24 2.394 3.977 1.077 160 HE1 TYR 24 HE2 TYR 24 0.434 3.266 5.577 161 HE2 TYR 24 HE1 TYR 24 3.597 2.574 2.815 162 HH TYR 24 HH TYR 24 2.120 2.081 6.101 163 H LYS 25 H LYS 25 0.589 3.865 -1.379 164 HA LYS 25 HA LYS 25 0.889 1.067 -0.565 165 1HB LYS 25 1HB LYS 25 1.247 0.894 -3.243 166 2HB LYS 25 2HB LYS 25 -0.313 0.615 -2.451 167 1HG LYS 25 1HG LYS 25 -1.071 2.818 -2.956 168 2HG LYS 25 2HG LYS 25 0.554 3.346 -3.428 169 1HD LYS 25 1HD LYS 25 0.488 2.154 -5.450 170 2HD LYS 25 2HD LYS 25 -0.825 1.101 -4.895 171 1HE LYS 25 1HE LYS 25 -2.164 2.472 -6.101 172 2HE LYS 25 2HE LYS 25 -1.991 3.585 -4.732 173 1HZ LYS 25 1HZ LYS 25 -0.296 3.655 -7.118 174 2HZ LYS 25 2HZ LYS 25 -1.367 4.652 -6.827 175 3HZ LYS 25 3HZ LYS 25 -0.151 4.592 -5.967 176 H LYS 26 H LYS 26 2.832 0.089 -1.053 177 HA LYS 26 HA LYS 26 5.068 1.820 -1.754 178 1HB LYS 26 1HB LYS 26 6.288 0.816 0.275 179 2HB LYS 26 2HB LYS 26 5.260 2.250 0.431 180 1HG LYS 26 1HG LYS 26 3.434 0.925 1.297 181 2HG LYS 26 2HG LYS 26 4.311 -0.581 0.968 182 1HD LYS 26 1HD LYS 26 5.375 1.551 2.836 183 2HD LYS 26 2HD LYS 26 4.330 0.232 3.389 184 1HE LYS 26 1HE LYS 26 6.053 -1.324 2.217 185 2HE LYS 26 2HE LYS 26 7.124 0.087 2.260 186 1HZ LYS 26 1HZ LYS 26 5.910 -1.114 4.638 187 2HZ LYS 26 2HZ LYS 26 7.349 -1.259 4.273 188 3HZ LYS 26 3HZ LYS 26 6.813 0.074 4.674 189 CH2 TRP 27 CH2 TRP 27 4.758 3.474 -5.946 190 H TRP 27 H TRP 27 6.765 0.702 -2.633 191 HA TRP 27 HA TRP 27 6.855 -2.179 -2.651 192 1HB TRP 27 1HB TRP 27 6.823 -2.374 -5.079 193 2HB TRP 27 2HB TRP 27 5.297 -1.687 -4.491 194 HD1 TRP 27 HD1 TRP 27 8.043 -0.990 -6.942 195 HE1 TRP 27 HE1 TRP 27 7.703 1.305 -8.020 196 HE3 TRP 27 HE3 TRP 27 4.440 0.763 -3.827 197 HZ2 TRP 27 HZ2 TRP 27 6.118 3.618 -7.640 198 HZ3 TRP 27 HZ3 TRP 27 3.551 3.051 -4.249 199 HH2 TRP 27 HH2 TRP 27 4.330 4.462 -6.080 200 CH2 TRP 28 CH2 TRP 28 8.818 -4.675 1.605 201 H TRP 28 H TRP 28 8.821 -2.950 -3.604 202 HA TRP 28 HA TRP 28 10.965 -1.125 -4.168 203 1HB TRP 28 1HB TRP 28 12.328 -1.460 -2.347 204 2HB TRP 28 2HB TRP 28 10.735 -1.037 -1.698 205 HD1 TRP 28 HD1 TRP 28 13.127 -4.054 -1.964 206 HE1 TRP 28 HE1 TRP 28 12.427 -5.802 -0.234 207 HE3 TRP 28 HE3 TRP 28 8.838 -1.851 -0.384 208 HZ2 TRP 28 HZ2 TRP 28 10.324 -6.245 1.608 209 HZ3 TRP 28 HZ3 TRP 28 7.521 -3.008 1.385 210 HH2 TRP 28 HH2 TRP 28 8.202 -5.131 2.372 211 H SER 29 H SER 29 12.383 -2.154 -5.436 212 HA SER 29 HA SER 29 11.952 -4.938 -6.089 213 1HB SER 29 1HB SER 29 13.561 -4.533 -7.918 214 2HB SER 29 2HB SER 29 12.224 -3.371 -7.944 215 HG SER 29 HG SER 29 14.308 -2.333 -8.371 216 H ASP 30 H ASP 30 13.515 -6.507 -6.000 217 HA ASP 30 HA ASP 30 15.653 -6.024 -4.056 218 1HB ASP 30 1HB ASP 30 15.051 -8.817 -4.625 219 2HB ASP 30 2HB ASP 30 15.179 -7.974 -3.071 220 H HIS 31 H HIS 31 17.016 -8.403 -4.556 221 HA HIS 31 HA HIS 31 18.855 -7.772 -6.492 222 1HB HIS 31 1HB HIS 31 18.256 -10.149 -4.926 223 2HB HIS 31 2HB HIS 31 19.116 -10.429 -6.449 224 HD2 HIS 31 HD2 HIS 31 21.749 -10.577 -5.808 225 HE1 HIS 31 HE1 HIS 31 21.894 -7.383 -3.015 226 NH1 ARG 32 NH2 ARG 32 20.420 -14.144 -12.144 227 NH2 ARG 32 NH1 ARG 32 22.077 -12.716 -11.379 228 H ARG 32 H ARG 32 16.407 -10.326 -6.772 229 HA ARG 32 HA ARG 32 15.996 -9.638 -9.576 230 1HB ARG 32 1HB ARG 32 16.993 -12.233 -8.484 231 2HB ARG 32 2HB ARG 32 15.800 -12.300 -9.792 232 1HG ARG 32 1HG ARG 32 17.212 -10.997 -11.245 233 2HG ARG 32 2HG ARG 32 18.343 -10.652 -9.924 234 1HD ARG 32 1HD ARG 32 18.262 -13.414 -9.932 235 2HD ARG 32 2HD ARG 32 18.139 -13.022 -11.655 236 HE ARG 32 HE ARG 32 20.214 -11.609 -10.223 237 1HH1 ARG 32 1HH2 ARG 32 19.504 -14.397 -12.166 238 2HH1 ARG 32 2HH2 ARG 32 21.063 -14.646 -12.631 239 1HH2 ARG 32 1HH1 ARG 32 22.343 -11.962 -10.865 240 2HH2 ARG 32 2HH1 ARG 32 22.726 -13.213 -11.864 241 H GLY 33 H GLY 33 14.270 -8.820 -7.793 242 1HA GLY 33 1HA GLY 33 11.857 -10.147 -8.485 243 2HA GLY 33 2HA GLY 33 12.271 -10.369 -6.776 244 H THR 34 H THR 34 10.115 -9.185 -6.748 245 HA THR 34 HA THR 34 10.602 -6.400 -6.127 246 HB THR 34 HB THR 34 8.719 -7.362 -8.320 247 HG1 THR 34 HG1 THR 34 9.943 -5.641 -9.470 248 1HG2 THR 34 1HG2 THR 34 8.962 -4.557 -7.074 249 2HG2 THR 34 2HG2 THR 34 7.913 -5.000 -8.431 250 3HG2 THR 34 3HG2 THR 34 7.566 -5.614 -6.806 251 H ILE 35 H ILE 35 9.789 -5.960 -4.294 252 HA ILE 35 HA ILE 35 7.646 -7.629 -3.208 253 HB ILE 35 HB ILE 35 9.670 -5.844 -1.818 254 1HG1 ILE 35 1HG1 ILE 35 10.578 -7.989 -2.675 255 2HG1 ILE 35 2HG1 ILE 35 10.554 -7.927 -0.904 256 1HG2 ILE 35 1HG2 ILE 35 7.454 -7.446 -0.597 257 2HG2 ILE 35 2HG2 ILE 35 8.762 -6.632 0.277 258 3HG2 ILE 35 3HG2 ILE 35 7.597 -5.681 -0.660 259 1HD1 ILE 35 1HD1 ILE 35 8.486 -9.304 -2.656 260 2HD1 ILE 35 2HD1 ILE 35 9.757 -10.113 -1.725 261 3HD1 ILE 35 3HD1 ILE 35 8.463 -9.242 -0.885 262 H ILE 36 H ILE 36 5.796 -6.856 -2.519 263 HA ILE 36 HA ILE 36 5.256 -4.002 -2.877 264 HB ILE 36 HB ILE 36 3.237 -6.107 -3.649 265 1HG1 ILE 36 1HG1 ILE 36 5.432 -6.357 -4.957 266 2HG1 ILE 36 2HG1 ILE 36 3.956 -6.107 -5.905 267 1HG2 ILE 36 1HG2 ILE 36 3.516 -3.214 -4.377 268 2HG2 ILE 36 2HG2 ILE 36 2.265 -4.325 -4.959 269 3HG2 ILE 36 3HG2 ILE 36 2.365 -3.930 -3.235 270 1HD1 ILE 36 1HD1 ILE 36 5.964 -3.952 -5.150 271 2HD1 ILE 36 2HD1 ILE 36 5.799 -4.698 -6.747 272 3HD1 ILE 36 3HD1 ILE 36 4.488 -3.702 -6.098 273 H GLU 37 H GLU 37 3.709 -3.116 -1.600 274 HA GLU 37 HA GLU 37 2.377 -4.607 0.440 275 1HB GLU 37 1HB GLU 37 4.565 -4.546 1.487 276 2HB GLU 37 2HB GLU 37 4.709 -2.809 1.171 277 1HG GLU 37 1HG GLU 37 4.075 -3.250 3.514 278 2HG GLU 37 2HG GLU 37 2.803 -2.366 2.655 279 NH1 ARG 38 NH2 ARG 38 1.360 -1.709 -3.658 280 NH2 ARG 38 NH1 ARG 38 0.373 -2.668 -5.523 281 H ARG 38 H ARG 38 0.704 -3.572 1.260 282 HA ARG 38 HA ARG 38 0.340 -0.740 0.614 283 1HB ARG 38 1HB ARG 38 -1.662 -2.985 0.226 284 2HB ARG 38 2HB ARG 38 -2.088 -1.264 0.198 285 1HG ARG 38 1HG ARG 38 -1.756 -1.637 -2.056 286 2HG ARG 38 2HG ARG 38 -0.120 -1.153 -1.578 287 1HD ARG 38 1HD ARG 38 0.667 -3.385 -1.592 288 2HD ARG 38 2HD ARG 38 -0.974 -4.053 -1.569 289 HE ARG 38 HE ARG 38 -0.972 -3.874 -3.859 290 1HH1 ARG 38 1HH2 ARG 38 1.419 -1.632 -2.713 291 2HH1 ARG 38 2HH2 ARG 38 1.932 -1.193 -4.213 292 1HH2 ARG 38 1HH1 ARG 38 -0.261 -3.263 -5.905 293 2HH2 ARG 38 2HH1 ARG 38 0.941 -2.154 -6.084 294 H GLY 39 H GLY 39 -1.199 0.332 1.949 295 1HA GLY 39 1HA GLY 39 -2.328 -0.830 4.268 296 2HA GLY 39 2HA GLY 39 -0.840 0.055 4.650 297 H CYS 40 H CYS 40 -2.822 1.082 5.880 298 HA CYS 40 HA CYS 40 -4.129 3.163 4.306 299 1HB CYS 40 1HB CYS 40 -4.625 2.111 7.049 300 2HB CYS 40 2HB CYS 40 -5.298 3.648 6.480 301 H GLY 41 H GLY 41 -4.214 5.304 5.555 302 1HA GLY 41 1HA GLY 41 -3.224 7.073 6.678 303 2HA GLY 41 2HA GLY 41 -1.907 5.980 7.136 304 H CYS 42 H CYS 42 -0.461 7.672 6.551 305 HA CYS 42 HA CYS 42 0.464 7.510 3.838 306 1HB CYS 42 1HB CYS 42 -1.223 9.188 3.555 307 2HB CYS 42 2HB CYS 42 -0.501 10.156 4.851 308 HA PRO 43 HA PRO 43 3.651 8.026 7.030 309 1HB PRO 43 1HB PRO 43 5.297 6.009 6.059 310 2HB PRO 43 2HB PRO 43 4.069 5.805 7.319 311 1HG PRO 43 1HG PRO 43 4.022 4.926 4.509 312 2HG PRO 43 2HG PRO 43 3.034 4.377 5.874 313 1HD PRO 43 2HD PRO 43 2.256 6.142 3.762 314 2HD PRO 43 1HD PRO 43 1.309 5.685 5.188 315 H LYS 44 H LYS 44 6.131 8.190 6.613 316 HA LYS 44 HA LYS 44 6.495 10.118 4.500 317 1HB LYS 44 1HB LYS 44 8.575 10.649 5.506 318 2HB LYS 44 2HB LYS 44 7.279 10.630 6.714 319 1HG LYS 44 1HG LYS 44 7.978 8.405 7.462 320 2HG LYS 44 2HG LYS 44 9.236 8.363 6.215 321 1HD LYS 44 1HD LYS 44 10.600 9.214 7.797 322 2HD LYS 44 2HD LYS 44 9.752 10.745 7.520 323 1HE LYS 44 1HE LYS 44 8.875 10.692 9.585 324 2HE LYS 44 2HE LYS 44 8.218 9.070 9.311 325 1HZ LYS 44 3HZ LYS 44 10.401 8.227 9.982 326 2HZ LYS 44 1HZ LYS 44 10.953 9.592 10.212 327 3HZ LYS 44 2HZ LYS 44 9.872 9.067 11.095 328 H VAL 45 H VAL 45 7.235 9.578 2.581 329 HA VAL 45 HA VAL 45 8.247 6.941 2.011 330 HB VAL 45 HB VAL 45 6.694 7.920 0.421 331 1HG1 VAL 45 1HG1 VAL 45 8.600 10.234 0.199 332 2HG1 VAL 45 2HG1 VAL 45 7.157 9.970 -0.794 333 3HG1 VAL 45 3HG1 VAL 45 6.994 10.243 0.948 334 1HG2 VAL 45 1HG2 VAL 45 8.496 6.528 -0.539 335 2HG2 VAL 45 2HG2 VAL 45 8.026 7.822 -1.655 336 3HG2 VAL 45 3HG2 VAL 45 9.517 7.966 -0.708 337 H LYS 46 H LYS 46 10.200 6.439 2.427 338 HA LYS 46 HA LYS 46 12.305 8.426 2.519 339 1HB LYS 46 1HB LYS 46 11.963 5.618 3.477 340 2HB LYS 46 2HB LYS 46 13.605 6.148 3.076 341 1HG LYS 46 1HG LYS 46 12.882 8.265 4.529 342 2HG LYS 46 2HG LYS 46 11.771 7.086 5.247 343 1HD LYS 46 1HD LYS 46 14.087 5.649 5.221 344 2HD LYS 46 2HD LYS 46 14.719 7.289 5.449 345 1HE LYS 46 1HE LYS 46 12.395 6.810 7.135 346 2HE LYS 46 2HE LYS 46 13.660 5.606 7.428 347 1HZ LYS 46 3HZ LYS 46 15.166 7.482 7.793 348 2HZ LYS 46 1HZ LYS 46 14.101 8.496 7.547 349 3HZ LYS 46 2HZ LYS 46 14.028 7.615 8.748 350 HA PRO 47 HA PRO 47 13.986 7.679 -1.350 351 1HB PRO 47 1HB PRO 47 16.702 7.948 -0.842 352 2HB PRO 47 2HB PRO 47 15.578 9.308 -1.013 353 1HG PRO 47 1HG PRO 47 16.859 8.235 1.414 354 2HG PRO 47 2HG PRO 47 16.095 9.813 1.150 355 1HD PRO 47 2HD PRO 47 15.010 7.569 2.552 356 2HD PRO 47 1HD PRO 47 14.202 9.105 2.189 357 H GLY 48 H GLY 48 14.437 6.032 -2.580 358 1HA GLY 48 1HA GLY 48 15.725 4.113 -3.211 359 2HA GLY 48 2HA GLY 48 15.889 3.741 -1.486 360 H VAL 49 H VAL 49 13.094 4.315 -0.943 361 HA VAL 49 HA VAL 49 11.877 1.896 -2.074 362 HB VAL 49 HB VAL 49 11.346 3.310 0.562 363 1HG1 VAL 49 3HG1 VAL 49 9.290 2.435 -0.317 364 2HG1 VAL 49 1HG1 VAL 49 10.040 0.849 -0.567 365 3HG1 VAL 49 2HG1 VAL 49 9.833 1.482 1.074 366 1HG2 VAL 49 1HG2 VAL 49 13.455 2.025 0.547 367 2HG2 VAL 49 2HG2 VAL 49 12.241 1.246 1.574 368 3HG2 VAL 49 3HG2 VAL 49 12.582 0.599 -0.040 369 H ASN 50 H ASN 50 9.946 1.949 -2.983 370 HA ASN 50 HA ASN 50 8.996 4.535 -3.872 371 1HB ASN 50 1HB ASN 50 7.927 1.798 -4.620 372 2HB ASN 50 2HB ASN 50 7.652 3.331 -5.465 373 1HD2 ASN 50 2HD2 ASN 50 10.860 1.023 -6.155 374 2HD2 ASN 50 1HD2 ASN 50 9.651 0.627 -5.112 375 H LEU 51 H LEU 51 7.107 5.397 -3.219 376 HA LEU 51 HA LEU 51 5.003 3.920 -1.970 377 1HB LEU 51 1HB LEU 51 6.790 4.354 -0.174 378 2HB LEU 51 2HB LEU 51 6.318 6.058 -0.306 379 HG LEU 51 HG LEU 51 4.214 4.004 0.244 380 1HD1 LEU 51 1HD1 LEU 51 6.071 5.202 2.332 381 2HD1 LEU 51 2HD1 LEU 51 4.614 4.250 2.666 382 3HD1 LEU 51 3HD1 LEU 51 6.004 3.493 1.869 383 1HD2 LEU 51 3HD2 LEU 51 4.519 6.886 1.003 384 2HD2 LEU 51 1HD2 LEU 51 3.495 6.215 -0.277 385 3HD2 LEU 51 2HD2 LEU 51 3.157 5.833 1.419 386 H ASN 52 H ASN 52 3.117 4.848 -2.143 387 HA ASN 52 HA ASN 52 2.982 7.607 -3.097 388 1HB ASN 52 1HB ASN 52 2.769 5.704 -4.918 389 2HB ASN 52 2HB ASN 52 1.131 5.550 -4.257 390 1HD2 ASN 52 2HD2 ASN 52 1.815 8.186 -7.019 391 2HD2 ASN 52 1HD2 ASN 52 2.616 6.777 -6.732 392 H CYS 53 H CYS 53 1.294 8.708 -2.253 393 HA CYS 53 HA CYS 53 -0.479 7.332 -0.370 394 1HB CYS 53 1HB CYS 53 0.481 10.153 -0.475 395 2HB CYS 53 2HB CYS 53 -0.919 9.647 0.487 396 H CYS 54 H CYS 54 -2.667 7.587 -0.572 397 HA CYS 54 HA CYS 54 -3.826 9.300 -2.581 398 1HB CYS 54 1HB CYS 54 -5.202 7.210 -3.353 399 2HB CYS 54 2HB CYS 54 -3.623 7.567 -4.077 400 NH1 ARG 55 NH2 ARG 55 -8.050 14.601 2.521 401 NH2 ARG 55 NH1 ARG 55 -8.603 12.952 4.054 402 H ARG 55 H ARG 55 -6.191 9.235 -2.443 403 HA ARG 55 HA ARG 55 -7.102 8.624 0.280 404 1HB ARG 55 1HB ARG 55 -7.947 10.979 -1.421 405 2HB ARG 55 2HB ARG 55 -8.523 10.591 0.211 406 1HG ARG 55 1HG ARG 55 -6.025 10.688 0.890 407 2HG ARG 55 2HG ARG 55 -5.785 11.522 -0.655 408 1HD ARG 55 1HD ARG 55 -6.114 13.273 0.891 409 2HD ARG 55 2HD ARG 55 -7.699 13.083 0.119 410 HE ARG 55 HE ARG 55 -7.617 11.444 2.385 411 1HH1 ARG 55 1HH2 ARG 55 -7.672 14.846 1.685 412 2HH1 ARG 55 2HH2 ARG 55 -8.407 15.268 3.095 413 1HH2 ARG 55 1HH1 ARG 55 -8.621 12.037 4.311 414 2HH2 ARG 55 2HH1 ARG 55 -8.962 13.615 4.633 415 H THR 56 H THR 56 -7.290 7.200 -2.364 416 HA THR 56 HA THR 56 -10.197 7.097 -2.696 417 HB THR 56 HB THR 56 -9.331 5.766 -4.841 418 HG1 THR 56 HG1 THR 56 -7.248 6.780 -5.488 419 1HG2 THR 56 1HG2 THR 56 -8.943 8.806 -4.539 420 2HG2 THR 56 2HG2 THR 56 -9.230 7.945 -6.060 421 3HG2 THR 56 3HG2 THR 56 -10.519 8.060 -4.851 422 H ASP 57 H ASP 57 -11.245 5.147 -2.576 423 HA ASP 57 HA ASP 57 -10.326 3.240 -0.735 424 1HB ASP 57 1HB ASP 57 -12.733 3.729 -2.250 425 2HB ASP 57 2HB ASP 57 -12.296 2.015 -2.344 426 NH1 ARG 58 NH2 ARG 58 -12.039 -5.336 -3.723 427 NH2 ARG 58 NH1 ARG 58 -13.946 -4.020 -3.791 428 H ARG 58 H ARG 58 -9.401 1.288 -1.040 429 HA ARG 58 HA ARG 58 -8.015 -0.268 -1.991 430 1HB ARG 58 1HB ARG 58 -10.403 -0.076 -3.791 431 2HB ARG 58 2HB ARG 58 -9.008 -1.025 -4.331 432 1HG ARG 58 1HG ARG 58 -9.152 -2.097 -1.946 433 2HG ARG 58 2HG ARG 58 -10.809 -1.471 -1.962 434 1HD ARG 58 1HD ARG 58 -9.978 -2.915 -4.414 435 2HD ARG 58 2HD ARG 58 -10.092 -3.909 -2.952 436 HE ARG 58 HE ARG 58 -12.352 -2.170 -3.531 437 1HH1 ARG 58 1HH2 ARG 58 -11.094 -5.404 -3.649 438 2HH1 ARG 58 2HH2 ARG 58 -12.566 -6.121 -3.820 439 1HH2 ARG 58 1HH1 ARG 58 -14.357 -3.164 -3.767 440 2HH2 ARG 58 2HH1 ARG 58 -14.480 -4.800 -3.889 441 H CYS 59 H CYS 59 -7.491 2.547 -2.523 442 HA CYS 59 HA CYS 59 -6.641 2.938 -5.195 443 1HB CYS 59 1HB CYS 59 -5.581 4.896 -4.500 444 2HB CYS 59 2HB CYS 59 -7.136 4.776 -3.659 445 H ASN 60 H ASN 60 -5.274 1.552 -2.316 446 HA ASN 60 HA ASN 60 -2.644 1.224 -3.520 447 1HB ASN 60 1HB ASN 60 -2.108 0.153 -1.277 448 2HB ASN 60 2HB ASN 60 -2.530 1.872 -1.217 449 1HD2 ASN 60 2HD2 ASN 60 -4.436 0.783 1.495 450 2HD2 ASN 60 1HD2 ASN 60 -2.965 1.355 1.031 451 H ASN 61 H ASN 61 -3.332 -0.261 -5.126 452 HA ASN 61 HA ASN 61 -3.777 -2.989 -4.140 453 1HB ASN 61 1HB ASN 61 -5.235 -3.475 -5.960 454 2HB ASN 61 2HB ASN 61 -5.808 -1.936 -5.296 455 1HD2 ASN 61 2HD2 ASN 61 -4.888 -2.282 -9.105 456 2HD2 ASN 61 1HD2 ASN 61 -5.192 -3.513 -8.057 Start of MODEL 4 Raw file had 456 H/Q atoms Start of MODEL 4 1 1H LEU 1 1H LEU 1 -12.811 3.778 5.976 2 2H LEU 1 2H LEU 1 -13.668 4.791 5.294 3 3H LEU 1 3H LEU 1 -14.062 3.353 5.283 4 HA LEU 1 HA LEU 1 -13.207 3.908 3.097 5 1HB LEU 1 1HB LEU 1 -11.790 5.670 4.339 6 2HB LEU 1 2HB LEU 1 -10.566 4.390 4.291 7 HG LEU 1 HG LEU 1 -11.906 4.926 1.722 8 1HD1 LEU 1 1HD1 LEU 1 -10.195 7.064 2.940 9 2HD1 LEU 1 2HD1 LEU 1 -10.704 6.968 1.246 10 3HD1 LEU 1 3HD1 LEU 1 -11.914 7.168 2.524 11 1HD2 LEU 1 3HD2 LEU 1 -8.998 4.730 2.586 12 2HD2 LEU 1 1HD2 LEU 1 -9.979 3.398 1.951 13 3HD2 LEU 1 2HD2 LEU 1 -9.579 4.777 0.913 14 H GLU 2 H GLU 2 -12.454 2.198 1.966 15 HA GLU 2 HA GLU 2 -11.595 -0.157 3.464 16 1HB GLU 2 1HB GLU 2 -13.576 0.105 1.598 17 2HB GLU 2 2HB GLU 2 -12.239 -0.592 0.668 18 1HG GLU 2 1HG GLU 2 -12.173 -2.524 1.949 19 2HG GLU 2 2HG GLU 2 -12.869 -1.730 3.372 20 H CYS 3 H CYS 3 -9.517 -0.578 3.439 21 HA CYS 3 HA CYS 3 -7.843 0.285 1.186 22 1HB CYS 3 1HB CYS 3 -7.039 -0.198 4.028 23 2HB CYS 3 2HB CYS 3 -5.949 0.195 2.686 24 H HIS 4 H HIS 4 -6.214 -1.212 0.532 25 HA HIS 4 HA HIS 4 -7.103 -3.896 0.330 26 1HB HIS 4 1HB HIS 4 -4.927 -2.261 -0.774 27 2HB HIS 4 2HB HIS 4 -4.477 -3.949 -0.479 28 HD2 HIS 4 HD2 HIS 4 -6.136 -1.879 -3.179 29 HE1 HIS 4 HE1 HIS 4 -7.351 -5.885 -3.896 30 H ASN 5 H ASN 5 -5.738 -5.738 0.866 31 HA ASN 5 HA ASN 5 -4.470 -5.423 3.494 32 1HB ASN 5 1HB ASN 5 -6.797 -7.000 2.767 33 2HB ASN 5 2HB ASN 5 -5.485 -8.044 3.340 34 1HD2 ASN 5 2HD2 ASN 5 -7.293 -7.287 6.312 35 2HD2 ASN 5 1HD2 ASN 5 -7.390 -8.211 4.953 36 H GLN 6 H GLN 6 -4.803 -7.359 0.573 37 HA GLN 6 HA GLN 6 -2.829 -9.239 0.913 38 1HB GLN 6 1HB GLN 6 -2.530 -8.921 -1.680 39 2HB GLN 6 2HB GLN 6 -4.047 -9.576 -1.037 40 1HG GLN 6 1HG GLN 6 -5.243 -7.735 -1.630 41 2HG GLN 6 2HG GLN 6 -3.923 -6.623 -1.231 42 1HE2 GLN 6 2HE2 GLN 6 -4.746 -6.995 -4.925 43 2HE2 GLN 6 1HE2 GLN 6 -5.722 -6.954 -3.601 44 H GLN 7 H GLN 7 -0.690 -9.370 0.341 45 HA GLN 7 HA GLN 7 0.754 -6.822 0.155 46 1HB GLN 7 1HB GLN 7 0.856 -7.649 2.446 47 2HB GLN 7 2HB GLN 7 1.585 -9.154 1.862 48 1HG GLN 7 1HG GLN 7 2.841 -6.564 1.044 49 2HG GLN 7 2HG GLN 7 3.082 -7.123 2.708 50 1HE2 GLN 7 2HE2 GLN 7 5.862 -8.371 0.753 51 2HE2 GLN 7 1HE2 GLN 7 5.250 -6.920 1.231 52 H SER 8 H SER 8 2.751 -6.935 -0.914 53 HA SER 8 HA SER 8 4.170 -7.512 -2.607 54 1HB SER 8 1HB SER 8 3.620 -10.079 -1.183 55 2HB SER 8 2HB SER 8 4.383 -10.169 -2.780 56 HG SER 8 HG SER 8 5.981 -10.141 -1.033 57 H SER 9 H SER 9 2.536 -10.486 -3.103 58 HA SER 9 HA SER 9 1.022 -9.391 -5.349 59 1HB SER 9 1HB SER 9 3.149 -11.493 -5.417 60 2HB SER 9 2HB SER 9 1.730 -11.705 -6.456 61 HG SER 9 HG SER 9 3.505 -10.623 -7.591 62 H GLN 10 H GLN 10 0.031 -10.016 -2.863 63 HA GLN 10 HA GLN 10 -1.097 -12.625 -2.757 64 1HB GLN 10 1HB GLN 10 -1.010 -10.330 -1.039 65 2HB GLN 10 2HB GLN 10 -2.655 -10.983 -1.146 66 1HG GLN 10 1HG GLN 10 -2.105 -12.828 0.024 67 2HG GLN 10 2HG GLN 10 -0.629 -13.082 -0.924 68 1HE2 GLN 10 2HE2 GLN 10 -0.546 -11.601 2.771 69 2HE2 GLN 10 1HE2 GLN 10 -1.881 -12.221 2.036 70 HA PRO 11 HA PRO 11 -4.834 -12.003 -4.934 71 1HB PRO 11 1HB PRO 11 -6.811 -12.906 -3.205 72 2HB PRO 11 2HB PRO 11 -5.750 -13.965 -4.151 73 1HG PRO 11 1HG PRO 11 -5.724 -13.390 -1.262 74 2HG PRO 11 2HG PRO 11 -4.981 -14.733 -2.147 75 1HD PRO 11 2HD PRO 11 -3.677 -12.418 -1.090 76 2HD PRO 11 1HD PRO 11 -2.956 -13.703 -2.074 77 HA PRO 12 HA PRO 12 -6.921 -8.335 -4.004 78 1HB PRO 12 1HB PRO 12 -9.475 -8.776 -5.002 79 2HB PRO 12 2HB PRO 12 -8.064 -8.387 -6.002 80 1HG PRO 12 1HG PRO 12 -9.477 -10.951 -5.682 81 2HG PRO 12 2HG PRO 12 -8.370 -10.432 -6.963 82 1HD PRO 12 2HD PRO 12 -7.802 -12.196 -4.787 83 2HD PRO 12 1HD PRO 12 -6.665 -11.582 -6.000 84 H THR 13 H THR 13 -7.112 -7.948 -1.945 85 HA THR 13 HA THR 13 -9.573 -8.714 -0.576 86 HB THR 13 HB THR 13 -7.957 -9.106 1.487 87 HG1 THR 13 HG1 THR 13 -5.817 -9.879 0.711 88 1HG2 THR 13 3HG2 THR 13 -9.168 -11.024 0.248 89 2HG2 THR 13 1HG2 THR 13 -7.801 -11.070 -0.878 90 3HG2 THR 13 2HG2 THR 13 -7.559 -11.483 0.827 91 H THR 14 H THR 14 -10.412 -7.249 0.688 92 HA THR 14 HA THR 14 -8.913 -4.799 1.267 93 HB THR 14 HB THR 14 -11.796 -4.580 0.431 94 HG1 THR 14 HG1 THR 14 -11.055 -4.583 -1.857 95 1HG2 THR 14 3HG2 THR 14 -10.306 -2.539 0.974 96 2HG2 THR 14 1HG2 THR 14 -9.253 -3.035 -0.360 97 3HG2 THR 14 2HG2 THR 14 -10.916 -2.526 -0.689 98 H LYS 15 H LYS 15 -10.064 -3.432 2.832 99 HA LYS 15 HA LYS 15 -11.949 -4.547 4.623 100 1HB LYS 15 1HB LYS 15 -9.499 -5.642 5.014 101 2HB LYS 15 2HB LYS 15 -9.354 -4.193 6.026 102 1HG LYS 15 1HG LYS 15 -10.584 -5.168 7.624 103 2HG LYS 15 2HG LYS 15 -11.928 -5.367 6.486 104 1HD LYS 15 1HD LYS 15 -11.382 -7.548 6.007 105 2HD LYS 15 2HD LYS 15 -9.651 -7.289 6.283 106 1HE LYS 15 1HE LYS 15 -10.113 -8.503 8.172 107 2HE LYS 15 2HE LYS 15 -10.527 -6.896 8.791 108 1HZ LYS 15 1HZ LYS 15 -12.488 -8.784 7.716 109 2HZ LYS 15 2HZ LYS 15 -12.333 -8.482 9.168 110 3HZ LYS 15 3HZ LYS 15 -12.836 -7.431 8.237 111 H THR 16 H THR 16 -12.427 -3.171 6.382 112 HA THR 16 HA THR 16 -12.048 -0.371 5.643 113 HB THR 16 HB THR 16 -14.097 -1.919 7.263 114 HG1 THR 16 HG1 THR 16 -15.485 -0.788 5.659 115 1HG2 THR 16 1HG2 THR 16 -13.879 1.133 6.929 116 2HG2 THR 16 2HG2 THR 16 -15.188 0.274 7.757 117 3HG2 THR 16 3HG2 THR 16 -13.564 0.306 8.463 118 H CYS 17 H CYS 17 -10.839 0.946 6.671 119 HA CYS 17 HA CYS 17 -9.408 0.048 9.027 120 1HB CYS 17 1HB CYS 17 -8.950 2.072 6.924 121 2HB CYS 17 2HB CYS 17 -8.439 2.539 8.555 122 H SER 18 H SER 18 -9.183 1.505 10.837 123 HA SER 18 HA SER 18 -11.740 2.758 11.493 124 1HB SER 18 1HB SER 18 -11.050 2.546 13.836 125 2HB SER 18 2HB SER 18 -11.155 0.990 12.994 126 HG SER 18 HG SER 18 -9.246 1.115 14.390 127 H GLY 19 H GLY 19 -11.789 4.802 12.380 128 1HA GLY 19 1HA GLY 19 -11.250 7.051 12.226 129 2HA GLY 19 2HA GLY 19 -9.996 6.503 13.350 130 H GLU 20 H GLU 20 -10.495 5.994 9.884 131 HA GLU 20 HA GLU 20 -8.302 7.638 9.098 132 1HB GLU 20 1HB GLU 20 -7.623 5.048 9.892 133 2HB GLU 20 2HB GLU 20 -7.734 4.944 8.126 134 1HG GLU 20 1HG GLU 20 -6.381 7.340 8.571 135 2HG GLU 20 2HG GLU 20 -5.718 6.242 9.794 136 H THR 21 H THR 21 -8.304 8.112 6.994 137 HA THR 21 HA THR 21 -10.181 6.754 5.222 138 HB THR 21 HB THR 21 -11.549 8.467 6.111 139 HG1 THR 21 HG1 THR 21 -11.815 9.776 4.112 140 1HG2 THR 21 3HG2 THR 21 -9.655 10.015 6.946 141 2HG2 THR 21 1HG2 THR 21 -9.333 10.426 5.253 142 3HG2 THR 21 2HG2 THR 21 -10.879 10.871 5.995 143 H ASN 22 H ASN 22 -7.443 6.508 5.191 144 HA ASN 22 HA ASN 22 -6.789 7.571 2.576 145 1HB ASN 22 1HB ASN 22 -5.010 7.984 5.005 146 2HB ASN 22 2HB ASN 22 -4.535 8.296 3.325 147 1HD2 ASN 22 2HD2 ASN 22 -7.273 10.669 5.238 148 2HD2 ASN 22 1HD2 ASN 22 -7.038 9.101 5.682 149 H CYS 23 H CYS 23 -5.178 6.358 1.555 150 HA CYS 23 HA CYS 23 -4.126 3.985 2.888 151 1HB CYS 23 1HB CYS 23 -5.401 3.665 0.222 152 2HB CYS 23 2HB CYS 23 -4.900 2.440 1.400 153 OH TYR 24 OH TYR 24 2.420 1.287 5.331 154 H TYR 24 H TYR 24 -2.178 3.365 2.052 155 HA TYR 24 HA TYR 24 -1.085 4.831 -0.233 156 1HB TYR 24 1HB TYR 24 0.872 5.350 1.054 157 2HB TYR 24 2HB TYR 24 -0.466 5.638 2.179 158 HD1 TYR 24 HD2 TYR 24 -0.884 4.100 4.039 159 HD2 TYR 24 HD1 TYR 24 2.426 3.537 1.402 160 HE1 TYR 24 HE2 TYR 24 0.168 2.488 5.693 161 HE2 TYR 24 HE1 TYR 24 3.470 1.930 3.066 162 HH TYR 24 HH TYR 24 1.776 1.192 6.200 163 H LYS 25 H LYS 25 0.778 3.799 -1.176 164 HA LYS 25 HA LYS 25 1.003 0.924 -0.665 165 1HB LYS 25 1HB LYS 25 1.409 0.891 -3.282 166 2HB LYS 25 2HB LYS 25 -0.232 0.813 -2.619 167 1HG LYS 25 1HG LYS 25 -0.743 2.968 -3.258 168 2HG LYS 25 2HG LYS 25 0.941 3.511 -3.161 169 1HD LYS 25 1HD LYS 25 0.588 3.478 -5.460 170 2HD LYS 25 2HD LYS 25 1.297 1.878 -5.183 171 1HE LYS 25 1HE LYS 25 -1.693 2.286 -5.125 172 2HE LYS 25 2HE LYS 25 -0.833 2.037 -6.654 173 1HZ LYS 25 1HZ LYS 25 -0.776 0.143 -4.424 174 2HZ LYS 25 2HZ LYS 25 -1.543 -0.078 -5.683 175 3HZ LYS 25 3HZ LYS 25 -0.052 -0.067 -5.711 176 H LYS 26 H LYS 26 2.944 0.003 -0.952 177 HA LYS 26 HA LYS 26 5.233 1.720 -1.526 178 1HB LYS 26 1HB LYS 26 6.362 0.692 0.514 179 2HB LYS 26 2HB LYS 26 5.269 2.075 0.697 180 1HG LYS 26 1HG LYS 26 3.511 0.710 1.524 181 2HG LYS 26 2HG LYS 26 4.310 -0.779 0.988 182 1HD LYS 26 1HD LYS 26 5.506 1.061 3.075 183 2HD LYS 26 2HD LYS 26 4.422 -0.278 3.487 184 1HE LYS 26 1HE LYS 26 5.950 -1.886 2.501 185 2HE LYS 26 2HE LYS 26 6.996 -0.585 1.909 186 1HZ LYS 26 1HZ LYS 26 6.544 -1.152 4.745 187 2HZ LYS 26 2HZ LYS 26 7.806 -1.480 4.021 188 3HZ LYS 26 3HZ LYS 26 7.424 -0.056 4.247 189 CH2 TRP 27 CH2 TRP 27 4.351 3.217 -5.767 190 H TRP 27 H TRP 27 6.827 0.652 -2.547 191 HA TRP 27 HA TRP 27 6.982 -2.244 -2.579 192 1HB TRP 27 1HB TRP 27 6.893 -2.443 -4.964 193 2HB TRP 27 2HB TRP 27 5.365 -1.854 -4.286 194 HD1 TRP 27 HD1 TRP 27 7.938 -0.977 -6.878 195 HE1 TRP 27 HE1 TRP 27 7.368 1.270 -7.955 196 HE3 TRP 27 HE3 TRP 27 4.344 0.512 -3.619 197 HZ2 TRP 27 HZ2 TRP 27 5.620 3.453 -7.520 198 HZ3 TRP 27 HZ3 TRP 27 3.254 2.716 -4.018 199 HH2 TRP 27 HH2 TRP 27 3.841 4.167 -5.890 200 CH2 TRP 28 CH2 TRP 28 9.503 -4.665 1.620 201 H TRP 28 H TRP 28 8.983 -2.920 -3.588 202 HA TRP 28 HA TRP 28 11.005 -1.013 -4.310 203 1HB TRP 28 1HB TRP 28 12.468 -1.207 -2.563 204 2HB TRP 28 2HB TRP 28 10.890 -0.913 -1.813 205 HD1 TRP 28 HD1 TRP 28 13.492 -3.734 -2.241 206 HE1 TRP 28 HE1 TRP 28 13.053 -5.519 -0.464 207 HE3 TRP 28 HE3 TRP 28 9.164 -1.860 -0.367 208 HZ2 TRP 28 HZ2 TRP 28 11.124 -6.116 1.518 209 HZ3 TRP 28 HZ3 TRP 28 8.067 -3.106 1.490 210 HH2 TRP 28 HH2 TRP 28 8.979 -5.164 2.429 211 H SER 29 H SER 29 12.264 -2.001 -5.736 212 HA SER 29 HA SER 29 11.960 -4.810 -6.282 213 1HB SER 29 1HB SER 29 13.947 -3.042 -7.683 214 2HB SER 29 2HB SER 29 13.030 -4.421 -8.315 215 HG SER 29 HG SER 29 12.261 -2.365 -9.203 216 H ASP 30 H ASP 30 13.435 -6.360 -6.024 217 HA ASP 30 HA ASP 30 15.746 -5.740 -4.333 218 1HB ASP 30 1HB ASP 30 15.734 -8.135 -3.764 219 2HB ASP 30 2HB ASP 30 14.208 -7.340 -3.341 220 H HIS 31 H HIS 31 17.160 -8.049 -4.767 221 HA HIS 31 HA HIS 31 18.832 -7.519 -6.858 222 1HB HIS 31 1HB HIS 31 18.489 -9.671 -5.014 223 2HB HIS 31 2HB HIS 31 18.979 -10.253 -6.613 224 HD2 HIS 31 HD2 HIS 31 20.503 -8.531 -3.530 225 HE1 HIS 31 HE1 HIS 31 23.449 -8.416 -6.585 226 NH1 ARG 32 NH2 ARG 32 15.764 -13.401 -13.275 227 NH2 ARG 32 NH1 ARG 32 17.747 -14.560 -13.585 228 H ARG 32 H ARG 32 16.383 -10.088 -6.830 229 HA ARG 32 HA ARG 32 15.787 -9.573 -9.635 230 1HB ARG 32 1HB ARG 32 16.785 -12.163 -8.466 231 2HB ARG 32 2HB ARG 32 15.672 -12.179 -9.845 232 1HG ARG 32 1HG ARG 32 17.960 -10.312 -10.082 233 2HG ARG 32 2HG ARG 32 18.382 -12.033 -10.075 234 1HD ARG 32 1HD ARG 32 16.072 -11.520 -11.772 235 2HD ARG 32 2HD ARG 32 17.462 -10.540 -12.265 236 HE ARG 32 HE ARG 32 18.704 -12.749 -12.232 237 1HH1 ARG 32 1HH2 ARG 32 15.299 -12.659 -12.904 238 2HH1 ARG 32 2HH2 ARG 32 15.293 -14.048 -13.786 239 1HH2 ARG 32 1HH1 ARG 32 18.682 -14.646 -13.440 240 2HH2 ARG 32 2HH1 ARG 32 17.283 -15.212 -14.098 241 H GLY 33 H GLY 33 14.145 -8.684 -7.844 242 1HA GLY 33 1HA GLY 33 11.735 -10.109 -8.276 243 2HA GLY 33 2HA GLY 33 12.263 -10.220 -6.589 244 H THR 34 H THR 34 10.071 -9.086 -6.515 245 HA THR 34 HA THR 34 10.524 -6.267 -6.051 246 HB THR 34 HB THR 34 8.520 -7.343 -8.086 247 HG1 THR 34 HG1 THR 34 9.732 -5.765 -9.436 248 1HG2 THR 34 1HG2 THR 34 8.942 -4.466 -7.075 249 2HG2 THR 34 2HG2 THR 34 7.795 -4.965 -8.329 250 3HG2 THR 34 3HG2 THR 34 7.528 -5.443 -6.644 251 H ILE 35 H ILE 35 9.779 -5.763 -4.206 252 HA ILE 35 HA ILE 35 7.776 -7.453 -2.915 253 HB ILE 35 HB ILE 35 9.728 -5.538 -1.705 254 1HG1 ILE 35 1HG1 ILE 35 10.217 -7.988 -0.653 255 2HG1 ILE 35 2HG1 ILE 35 9.679 -8.453 -2.276 256 1HG2 ILE 35 3HG2 ILE 35 7.697 -5.465 -0.465 257 2HG2 ILE 35 1HG2 ILE 35 7.641 -7.233 -0.382 258 3HG2 ILE 35 2HG2 ILE 35 8.943 -6.349 0.432 259 1HD1 ILE 35 3HD1 ILE 35 11.361 -6.941 -3.268 260 2HD1 ILE 35 1HD1 ILE 35 11.899 -6.475 -1.646 261 3HD1 ILE 35 2HD1 ILE 35 12.126 -8.138 -2.210 262 H ILE 36 H ILE 36 5.863 -6.633 -2.275 263 HA ILE 36 HA ILE 36 5.300 -3.786 -2.602 264 HB ILE 36 HB ILE 36 3.444 -5.972 -3.583 265 1HG1 ILE 36 1HG1 ILE 36 4.279 -4.445 -5.771 266 2HG1 ILE 36 2HG1 ILE 36 5.769 -4.769 -4.867 267 1HG2 ILE 36 1HG2 ILE 36 3.300 -2.994 -3.875 268 2HG2 ILE 36 2HG2 ILE 36 2.210 -4.173 -4.624 269 3HG2 ILE 36 3HG2 ILE 36 2.279 -4.025 -2.860 270 1HD1 ILE 36 3HD1 ILE 36 5.249 -7.184 -4.879 271 2HD1 ILE 36 1HD1 ILE 36 3.761 -6.859 -5.781 272 3HD1 ILE 36 2HD1 ILE 36 5.335 -6.542 -6.527 273 H GLU 37 H GLU 37 3.683 -2.966 -1.349 274 HA GLU 37 HA GLU 37 2.365 -4.563 0.632 275 1HB GLU 37 1HB GLU 37 4.869 -4.009 1.335 276 2HB GLU 37 2HB GLU 37 4.073 -2.537 1.914 277 1HG GLU 37 1HG GLU 37 2.756 -5.148 2.522 278 2HG GLU 37 2HG GLU 37 4.236 -4.752 3.412 279 NH1 ARG 38 NH2 ARG 38 1.362 -1.399 -3.716 280 NH2 ARG 38 NH1 ARG 38 0.469 -2.543 -5.524 281 H ARG 38 H ARG 38 0.536 -3.596 1.188 282 HA ARG 38 HA ARG 38 0.218 -0.713 0.761 283 1HB ARG 38 1HB ARG 38 -1.754 -2.922 0.100 284 2HB ARG 38 2HB ARG 38 -2.157 -1.196 0.117 285 1HG ARG 38 1HG ARG 38 -1.677 -1.591 -2.138 286 2HG ARG 38 2HG ARG 38 -0.143 -0.954 -1.517 287 1HD ARG 38 1HD ARG 38 0.899 -3.038 -1.576 288 2HD ARG 38 2HD ARG 38 -0.634 -3.921 -1.494 289 HE ARG 38 HE ARG 38 -0.700 -3.830 -3.789 290 1HH1 ARG 38 1HH2 ARG 38 1.425 -1.278 -2.777 291 2HH1 ARG 38 2HH2 ARG 38 1.860 -0.842 -4.302 292 1HH2 ARG 38 1HH1 ARG 38 -0.094 -3.226 -5.871 293 2HH2 ARG 38 2HH1 ARG 38 0.964 -1.990 -6.117 294 H GLY 39 H GLY 39 -1.335 0.295 2.085 295 1HA GLY 39 1HA GLY 39 -2.701 -0.991 4.196 296 2HA GLY 39 2HA GLY 39 -1.203 -0.241 4.773 297 H CYS 40 H CYS 40 -3.089 0.861 5.982 298 HA CYS 40 HA CYS 40 -4.324 3.056 4.527 299 1HB CYS 40 1HB CYS 40 -4.648 2.244 7.390 300 2HB CYS 40 2HB CYS 40 -5.512 3.548 6.558 301 H GLY 41 H GLY 41 -4.223 5.184 5.782 302 1HA GLY 41 1HA GLY 41 -3.087 6.897 6.843 303 2HA GLY 41 2HA GLY 41 -1.814 5.734 7.250 304 H CYS 42 H CYS 42 -0.406 7.505 6.596 305 HA CYS 42 HA CYS 42 0.451 7.214 3.870 306 1HB CYS 42 1HB CYS 42 -1.171 9.037 3.656 307 2HB CYS 42 2HB CYS 42 -0.343 9.930 4.945 308 HA PRO 43 HA PRO 43 3.878 7.426 6.689 309 1HB PRO 43 1HB PRO 43 5.457 5.665 5.229 310 2HB PRO 43 2HB PRO 43 4.344 5.200 6.527 311 1HG PRO 43 1HG PRO 43 4.069 4.850 3.616 312 2HG PRO 43 2HG PRO 43 3.207 4.034 4.933 313 1HD PRO 43 2HD PRO 43 2.230 6.134 3.256 314 2HD PRO 43 1HD PRO 43 1.413 5.398 4.646 315 H LYS 44 H LYS 44 6.289 7.782 6.147 316 HA LYS 44 HA LYS 44 6.447 10.035 4.354 317 1HB LYS 44 1HB LYS 44 7.379 9.943 6.707 318 2HB LYS 44 2HB LYS 44 8.727 9.051 5.980 319 1HG LYS 44 1HG LYS 44 9.311 10.860 4.571 320 2HG LYS 44 2HG LYS 44 7.760 11.675 4.834 321 1HD LYS 44 1HD LYS 44 9.442 11.171 7.242 322 2HD LYS 44 2HD LYS 44 10.018 12.402 6.105 323 1HE LYS 44 1HE LYS 44 7.155 12.645 6.639 324 2HE LYS 44 2HE LYS 44 8.126 12.774 8.115 325 1HZ LYS 44 3HZ LYS 44 9.372 14.526 6.976 326 2HZ LYS 44 1HZ LYS 44 8.555 14.417 5.733 327 3HZ LYS 44 2HZ LYS 44 7.934 14.922 6.991 328 H VAL 45 H VAL 45 7.438 10.024 2.437 329 HA VAL 45 HA VAL 45 8.227 7.520 1.250 330 HB VAL 45 HB VAL 45 8.460 8.865 -0.818 331 1HG1 VAL 45 3HG1 VAL 45 6.227 7.996 -0.213 332 2HG1 VAL 45 1HG1 VAL 45 5.907 9.467 0.719 333 3HG1 VAL 45 2HG1 VAL 45 6.101 9.558 -1.039 334 1HG2 VAL 45 3HG2 VAL 45 7.820 11.233 0.918 335 2HG2 VAL 45 1HG2 VAL 45 9.358 10.888 0.112 336 3HG2 VAL 45 2HG2 VAL 45 7.912 11.229 -0.851 337 H LYS 46 H LYS 46 10.089 6.716 1.602 338 HA LYS 46 HA LYS 46 12.390 8.418 2.166 339 1HB LYS 46 1HB LYS 46 11.768 5.587 2.785 340 2HB LYS 46 2HB LYS 46 13.441 6.168 2.750 341 1HG LYS 46 1HG LYS 46 12.555 8.103 4.250 342 2HG LYS 46 2HG LYS 46 11.172 7.034 4.537 343 1HD LYS 46 1HD LYS 46 12.435 5.481 5.694 344 2HD LYS 46 2HD LYS 46 13.932 5.910 4.847 345 1HE LYS 46 1HE LYS 46 14.512 7.251 6.549 346 2HE LYS 46 2HE LYS 46 13.045 8.211 6.296 347 1HZ LYS 46 1HZ LYS 46 13.163 5.828 7.990 348 2HZ LYS 46 2HZ LYS 46 13.085 7.221 8.516 349 3HZ LYS 46 3HZ LYS 46 11.928 6.636 7.777 350 HA PRO 47 HA PRO 47 14.127 7.654 -1.741 351 1HB PRO 47 1HB PRO 47 16.835 7.788 -1.133 352 2HB PRO 47 2HB PRO 47 15.773 9.186 -1.374 353 1HG PRO 47 1HG PRO 47 16.902 8.103 1.123 354 2HG PRO 47 2HG PRO 47 16.214 9.704 0.803 355 1HD PRO 47 2HD PRO 47 14.978 7.529 2.187 356 2HD PRO 47 1HD PRO 47 14.250 9.088 1.764 357 H GLY 48 H GLY 48 14.852 6.013 -3.001 358 1HA GLY 48 1HA GLY 48 15.907 4.008 -3.578 359 2HA GLY 48 2HA GLY 48 16.169 3.701 -1.853 360 H VAL 49 H VAL 49 13.368 4.353 -1.246 361 HA VAL 49 HA VAL 49 12.130 1.841 -2.119 362 HB VAL 49 HB VAL 49 11.742 3.397 0.417 363 1HG1 VAL 49 1HG1 VAL 49 10.417 0.837 -0.550 364 2HG1 VAL 49 2HG1 VAL 49 10.247 1.542 1.065 365 3HG1 VAL 49 3HG1 VAL 49 9.613 2.402 -0.348 366 1HG2 VAL 49 3HG2 VAL 49 12.988 0.714 -0.115 367 2HG2 VAL 49 1HG2 VAL 49 13.823 2.200 0.365 368 3HG2 VAL 49 2HG2 VAL 49 12.683 1.426 1.478 369 H ASN 50 H ASN 50 10.125 1.901 -2.994 370 HA ASN 50 HA ASN 50 9.153 4.440 -3.972 371 1HB ASN 50 1HB ASN 50 8.001 1.678 -4.461 372 2HB ASN 50 2HB ASN 50 7.671 3.158 -5.379 373 1HD2 ASN 50 2HD2 ASN 50 10.494 0.718 -6.541 374 2HD2 ASN 50 1HD2 ASN 50 9.204 0.366 -5.582 375 H LEU 51 H LEU 51 7.446 5.447 -3.117 376 HA LEU 51 HA LEU 51 5.460 4.039 -1.527 377 1HB LEU 51 1HB LEU 51 6.964 4.518 0.144 378 2HB LEU 51 2HB LEU 51 7.199 6.180 -0.426 379 HG LEU 51 HG LEU 51 4.837 6.667 0.202 380 1HD1 LEU 51 1HD1 LEU 51 5.001 3.927 1.510 381 2HD1 LEU 51 2HD1 LEU 51 3.692 5.100 1.728 382 3HD1 LEU 51 3HD1 LEU 51 3.960 4.357 0.143 383 1HD2 LEU 51 3HD2 LEU 51 6.654 5.787 2.414 384 2HD2 LEU 51 1HD2 LEU 51 6.632 7.361 1.602 385 3HD2 LEU 51 2HD2 LEU 51 5.244 6.847 2.577 386 H ASN 52 H ASN 52 3.494 4.874 -1.839 387 HA ASN 52 HA ASN 52 3.170 7.544 -2.973 388 1HB ASN 52 1HB ASN 52 3.115 5.665 -4.756 389 2HB ASN 52 2HB ASN 52 1.566 5.214 -4.026 390 1HD2 ASN 52 2HD2 ASN 52 0.546 7.322 -6.680 391 2HD2 ASN 52 1HD2 ASN 52 1.056 5.791 -6.360 392 H CYS 53 H CYS 53 1.333 8.541 -2.275 393 HA CYS 53 HA CYS 53 -0.395 7.099 -0.384 394 1HB CYS 53 1HB CYS 53 0.575 9.920 -0.324 395 2HB CYS 53 2HB CYS 53 -0.846 9.369 0.580 396 H CYS 54 H CYS 54 -2.589 7.474 -0.560 397 HA CYS 54 HA CYS 54 -3.691 9.261 -2.521 398 1HB CYS 54 1HB CYS 54 -5.052 7.260 -3.472 399 2HB CYS 54 2HB CYS 54 -3.428 7.594 -4.098 400 NH1 ARG 55 NH2 ARG 55 -8.763 14.050 2.524 401 NH2 ARG 55 NH1 ARG 55 -7.865 13.095 4.436 402 H ARG 55 H ARG 55 -6.019 9.309 -2.393 403 HA ARG 55 HA ARG 55 -6.996 8.539 0.266 404 1HB ARG 55 1HB ARG 55 -7.706 10.977 -1.374 405 2HB ARG 55 2HB ARG 55 -8.491 10.502 0.142 406 1HG ARG 55 1HG ARG 55 -6.169 10.549 1.199 407 2HG ARG 55 2HG ARG 55 -5.615 11.345 -0.284 408 1HD ARG 55 1HD ARG 55 -6.272 13.304 0.601 409 2HD ARG 55 2HD ARG 55 -7.945 12.731 0.505 410 HE ARG 55 HE ARG 55 -6.430 11.900 2.841 411 1HH1 ARG 55 1HH2 ARG 55 -8.775 14.128 1.577 412 2HH1 ARG 55 2HH2 ARG 55 -9.366 14.562 3.051 413 1HH2 ARG 55 1HH1 ARG 55 -7.247 12.503 4.848 414 2HH2 ARG 55 2HH1 ARG 55 -8.464 13.603 4.970 415 H THR 56 H THR 56 -7.132 7.264 -2.485 416 HA THR 56 HA THR 56 -10.038 7.132 -2.855 417 HB THR 56 HB THR 56 -9.043 5.781 -4.982 418 HG1 THR 56 HG1 THR 56 -6.937 6.803 -5.533 419 1HG2 THR 56 1HG2 THR 56 -8.703 8.830 -4.721 420 2HG2 THR 56 2HG2 THR 56 -8.896 7.935 -6.238 421 3HG2 THR 56 3HG2 THR 56 -10.252 8.061 -5.106 422 H ASP 57 H ASP 57 -11.143 5.284 -2.793 423 HA ASP 57 HA ASP 57 -10.389 3.382 -0.891 424 1HB ASP 57 1HB ASP 57 -12.744 4.040 -2.069 425 2HB ASP 57 2HB ASP 57 -12.365 2.532 -2.920 426 NH1 ARG 58 NH2 ARG 58 -12.070 -4.409 -4.751 427 NH2 ARG 58 NH1 ARG 58 -11.121 -5.986 -3.342 428 H ARG 58 H ARG 58 -9.419 1.440 -1.123 429 HA ARG 58 HA ARG 58 -8.035 -0.169 -1.996 430 1HB ARG 58 1HB ARG 58 -10.394 -0.771 -2.833 431 2HB ARG 58 2HB ARG 58 -9.841 -0.147 -4.397 432 1HG ARG 58 1HG ARG 58 -7.883 -1.715 -4.252 433 2HG ARG 58 2HG ARG 58 -8.608 -2.408 -2.791 434 1HD ARG 58 1HD ARG 58 -10.644 -2.349 -4.775 435 2HD ARG 58 2HD ARG 58 -9.189 -3.003 -5.547 436 HE ARG 58 HE ARG 58 -9.197 -4.461 -3.372 437 1HH1 ARG 58 1HH2 ARG 58 -12.002 -3.587 -5.222 438 2HH1 ARG 58 2HH2 ARG 58 -12.865 -4.925 -4.809 439 1HH2 ARG 58 1HH1 ARG 58 -10.390 -6.285 -2.815 440 2HH2 ARG 58 2HH1 ARG 58 -11.913 -6.508 -3.395 441 H CYS 59 H CYS 59 -7.457 2.620 -2.632 442 HA CYS 59 HA CYS 59 -6.611 2.892 -5.327 443 1HB CYS 59 1HB CYS 59 -5.573 4.888 -4.727 444 2HB CYS 59 2HB CYS 59 -7.124 4.798 -3.873 445 H ASN 60 H ASN 60 -5.319 1.536 -2.427 446 HA ASN 60 HA ASN 60 -2.635 1.250 -3.516 447 1HB ASN 60 1HB ASN 60 -2.153 0.172 -1.295 448 2HB ASN 60 2HB ASN 60 -2.703 1.851 -1.174 449 1HD2 ASN 60 2HD2 ASN 60 -4.548 0.295 1.412 450 2HD2 ASN 60 1HD2 ASN 60 -3.058 0.896 1.056 451 H ASN 61 H ASN 61 -3.243 -0.194 -5.194 452 HA ASN 61 HA ASN 61 -3.524 -2.962 -4.313 453 1HB ASN 61 1HB ASN 61 -5.750 -2.441 -5.028 454 2HB ASN 61 2HB ASN 61 -5.157 -1.593 -6.468 455 1HD2 ASN 61 2HD2 ASN 61 -6.185 -4.582 -7.968 456 2HD2 ASN 61 1HD2 ASN 61 -6.680 -3.087 -7.498 Start of MODEL 5 Raw file had 456 H/Q atoms Start of MODEL 5 1 1H LEU 1 2H LEU 1 -14.947 2.918 4.390 2 2H LEU 1 3H LEU 1 -14.133 3.623 5.422 3 3H LEU 1 1H LEU 1 -14.871 4.407 4.388 4 HA LEU 1 HA LEU 1 -13.502 3.586 2.585 5 1HB LEU 1 1HB LEU 1 -12.860 5.589 4.229 6 2HB LEU 1 2HB LEU 1 -11.535 4.484 4.634 7 HG LEU 1 HG LEU 1 -11.992 5.002 1.751 8 1HD1 LEU 1 3HD1 LEU 1 -12.419 7.194 2.576 9 2HD1 LEU 1 1HD1 LEU 1 -10.928 7.162 3.534 10 3HD1 LEU 1 2HD1 LEU 1 -10.846 7.129 1.764 11 1HD2 LEU 1 1HD2 LEU 1 -10.145 3.572 2.555 12 2HD2 LEU 1 2HD2 LEU 1 -9.525 5.024 1.753 13 3HD2 LEU 1 3HD2 LEU 1 -9.521 4.920 3.520 14 H GLU 2 H GLU 2 -12.860 1.779 1.902 15 HA GLU 2 HA GLU 2 -11.636 -0.143 3.742 16 1HB GLU 2 1HB GLU 2 -12.462 -1.894 2.501 17 2HB GLU 2 2HB GLU 2 -13.788 -0.720 2.517 18 1HG GLU 2 1HG GLU 2 -12.942 0.117 0.285 19 2HG GLU 2 2HG GLU 2 -11.829 -1.261 0.268 20 H CYS 3 H CYS 3 -9.551 -0.478 3.525 21 HA CYS 3 HA CYS 3 -8.192 0.271 1.042 22 1HB CYS 3 1HB CYS 3 -7.036 -0.063 3.819 23 2HB CYS 3 2HB CYS 3 -6.136 0.404 2.367 24 H HIS 4 H HIS 4 -6.315 -1.099 0.521 25 HA HIS 4 HA HIS 4 -7.140 -3.809 0.283 26 1HB HIS 4 1HB HIS 4 -4.982 -2.113 -0.774 27 2HB HIS 4 2HB HIS 4 -4.505 -3.795 -0.483 28 HD2 HIS 4 HD2 HIS 4 -5.599 -1.935 -3.407 29 HE1 HIS 4 HE1 HIS 4 -7.691 -5.608 -3.810 30 H ASN 5 H ASN 5 -5.672 -5.598 0.823 31 HA ASN 5 HA ASN 5 -4.443 -5.241 3.462 32 1HB ASN 5 1HB ASN 5 -6.494 -7.269 2.579 33 2HB ASN 5 2HB ASN 5 -5.325 -7.671 3.849 34 1HD2 ASN 5 2HD2 ASN 5 -7.439 -6.423 6.199 35 2HD2 ASN 5 1HD2 ASN 5 -6.540 -7.669 5.610 36 H GLN 6 H GLN 6 -4.795 -7.258 0.595 37 HA GLN 6 HA GLN 6 -2.793 -9.105 0.961 38 1HB GLN 6 1HB GLN 6 -2.538 -8.869 -1.642 39 2HB GLN 6 2HB GLN 6 -4.043 -9.509 -0.960 40 1HG GLN 6 1HG GLN 6 -5.255 -7.697 -1.604 41 2HG GLN 6 2HG GLN 6 -3.942 -6.564 -1.242 42 1HE2 GLN 6 2HE2 GLN 6 -3.779 -6.049 -4.637 43 2HE2 GLN 6 1HE2 GLN 6 -4.238 -5.475 -3.165 44 H GLN 7 H GLN 7 -0.662 -9.229 0.386 45 HA GLN 7 HA GLN 7 0.749 -6.673 0.105 46 1HB GLN 7 1HB GLN 7 0.853 -7.544 2.422 47 2HB GLN 7 2HB GLN 7 1.727 -8.953 1.797 48 1HG GLN 7 1HG GLN 7 2.873 -6.483 0.785 49 2HG GLN 7 2HG GLN 7 2.823 -6.480 2.557 50 1HE2 GLN 7 2HE2 GLN 7 5.190 -8.912 3.055 51 2HE2 GLN 7 1HE2 GLN 7 3.994 -7.975 3.688 52 H SER 8 H SER 8 2.672 -6.756 -1.054 53 HA SER 8 HA SER 8 4.136 -7.393 -2.696 54 1HB SER 8 1HB SER 8 3.556 -9.925 -1.278 55 2HB SER 8 2HB SER 8 4.293 -10.032 -2.886 56 HG SER 8 HG SER 8 5.921 -10.002 -1.165 57 H SER 9 H SER 9 2.425 -10.334 -3.172 58 HA SER 9 HA SER 9 0.884 -9.245 -5.398 59 1HB SER 9 1HB SER 9 3.241 -10.577 -5.843 60 2HB SER 9 2HB SER 9 2.064 -11.900 -5.898 61 HG SER 9 HG SER 9 2.460 -10.976 -8.042 62 H GLN 10 H GLN 10 0.009 -9.936 -2.843 63 HA GLN 10 HA GLN 10 -1.129 -12.530 -2.748 64 1HB GLN 10 1HB GLN 10 -1.004 -10.252 -1.012 65 2HB GLN 10 2HB GLN 10 -2.649 -10.908 -1.084 66 1HG GLN 10 1HG GLN 10 -2.062 -12.744 0.078 67 2HG GLN 10 2HG GLN 10 -0.639 -13.020 -0.941 68 1HE2 GLN 10 2HE2 GLN 10 -0.317 -11.635 2.759 69 2HE2 GLN 10 1HE2 GLN 10 -1.678 -12.278 2.095 70 HA PRO 11 HA PRO 11 -4.901 -11.943 -4.814 71 1HB PRO 11 1HB PRO 11 -6.851 -12.836 -3.047 72 2HB PRO 11 2HB PRO 11 -5.810 -13.880 -4.029 73 1HG PRO 11 1HG PRO 11 -5.709 -13.331 -1.137 74 2HG PRO 11 2HG PRO 11 -4.985 -14.664 -2.053 75 1HD PRO 11 2HD PRO 11 -3.662 -12.352 -1.011 76 2HD PRO 11 1HD PRO 11 -2.964 -13.624 -2.026 77 HA PRO 12 HA PRO 12 -7.009 -8.260 -3.798 78 1HB PRO 12 1HB PRO 12 -9.592 -8.711 -4.713 79 2HB PRO 12 2HB PRO 12 -8.218 -8.307 -5.756 80 1HG PRO 12 1HG PRO 12 -9.605 -10.882 -5.407 81 2HG PRO 12 2HG PRO 12 -8.542 -10.347 -6.720 82 1HD PRO 12 2HD PRO 12 -7.894 -12.122 -4.574 83 2HD PRO 12 1HD PRO 12 -6.800 -11.496 -5.821 84 H THR 13 H THR 13 -7.149 -7.867 -1.739 85 HA THR 13 HA THR 13 -9.533 -8.722 -0.293 86 HB THR 13 HB THR 13 -7.862 -9.062 1.711 87 HG1 THR 13 HG1 THR 13 -5.778 -9.881 0.836 88 1HG2 THR 13 1HG2 THR 13 -7.859 -11.028 -0.659 89 2HG2 THR 13 2HG2 THR 13 -7.546 -11.446 1.034 90 3HG2 THR 13 3HG2 THR 13 -9.170 -10.951 0.529 91 H THR 14 H THR 14 -10.312 -7.216 1.081 92 HA THR 14 HA THR 14 -8.785 -4.775 1.609 93 HB THR 14 HB THR 14 -11.699 -4.517 0.909 94 HG1 THR 14 HG1 THR 14 -11.073 -4.519 -1.414 95 1HG2 THR 14 3HG2 THR 14 -10.151 -2.500 1.383 96 2HG2 THR 14 1HG2 THR 14 -9.175 -3.007 -0.005 97 3HG2 THR 14 2HG2 THR 14 -10.845 -2.470 -0.245 98 H LYS 15 H LYS 15 -10.028 -3.387 3.182 99 HA LYS 15 HA LYS 15 -11.727 -4.655 5.079 100 1HB LYS 15 1HB LYS 15 -10.385 -5.179 6.803 101 2HB LYS 15 2HB LYS 15 -9.425 -5.705 5.410 102 1HG LYS 15 1HG LYS 15 -7.748 -4.438 6.197 103 2HG LYS 15 2HG LYS 15 -8.726 -3.016 5.795 104 1HD LYS 15 1HD LYS 15 -9.682 -2.970 8.015 105 2HD LYS 15 2HD LYS 15 -8.914 -4.514 8.426 106 1HE LYS 15 1HE LYS 15 -7.476 -2.968 9.423 107 2HE LYS 15 2HE LYS 15 -6.687 -3.256 7.863 108 1HZ LYS 15 3HZ LYS 15 -7.750 -1.203 7.105 109 2HZ LYS 15 1HZ LYS 15 -8.414 -0.960 8.419 110 3HZ LYS 15 2HZ LYS 15 -6.929 -0.877 8.307 111 H THR 16 H THR 16 -12.555 -3.166 6.498 112 HA THR 16 HA THR 16 -12.411 -0.426 5.783 113 HB THR 16 HB THR 16 -13.872 -1.923 7.959 114 HG1 THR 16 HG1 THR 16 -15.656 -1.400 6.432 115 1HG2 THR 16 3HG2 THR 16 -13.549 0.579 8.530 116 2HG2 THR 16 1HG2 THR 16 -14.226 0.961 6.938 117 3HG2 THR 16 2HG2 THR 16 -15.232 0.165 8.159 118 H CYS 17 H CYS 17 -11.184 1.116 6.610 119 HA CYS 17 HA CYS 17 -9.298 0.474 8.730 120 1HB CYS 17 1HB CYS 17 -9.414 2.669 6.669 121 2HB CYS 17 2HB CYS 17 -8.338 2.761 8.074 122 H SER 18 H SER 18 -8.969 1.970 10.442 123 HA SER 18 HA SER 18 -11.382 2.718 11.721 124 1HB SER 18 1HB SER 18 -10.077 3.396 13.562 125 2HB SER 18 2HB SER 18 -9.345 1.922 12.906 126 HG SER 18 HG SER 18 -7.714 3.533 13.497 127 H GLY 19 H GLY 19 -10.222 5.129 12.920 128 1HA GLY 19 1HA GLY 19 -11.511 7.137 11.623 129 2HA GLY 19 2HA GLY 19 -10.099 7.405 12.659 130 H GLU 20 H GLU 20 -8.600 5.605 10.720 131 HA GLU 20 HA GLU 20 -7.584 7.699 9.048 132 1HB GLU 20 1HB GLU 20 -6.421 5.496 10.171 133 2HB GLU 20 2HB GLU 20 -6.698 4.929 8.514 134 1HG GLU 20 1HG GLU 20 -5.277 7.506 9.265 135 2HG GLU 20 2HG GLU 20 -4.472 5.999 8.794 136 H THR 21 H THR 21 -8.372 8.260 7.223 137 HA THR 21 HA THR 21 -9.866 6.320 5.607 138 HB THR 21 HB THR 21 -11.122 8.308 4.756 139 HG1 THR 21 HG1 THR 21 -10.785 10.318 6.032 140 1HG2 THR 21 1HG2 THR 21 -11.002 8.173 7.830 141 2HG2 THR 21 2HG2 THR 21 -12.369 8.768 6.873 142 3HG2 THR 21 3HG2 THR 21 -11.955 7.045 6.853 143 H ASN 22 H ASN 22 -7.165 6.327 5.357 144 HA ASN 22 HA ASN 22 -6.792 7.331 2.654 145 1HB ASN 22 1HB ASN 22 -4.768 7.743 4.878 146 2HB ASN 22 2HB ASN 22 -4.532 8.143 3.169 147 1HD2 ASN 22 2HD2 ASN 22 -7.166 10.286 5.469 148 2HD2 ASN 22 1HD2 ASN 22 -6.863 8.698 5.771 149 H CYS 23 H CYS 23 -5.209 6.145 1.513 150 HA CYS 23 HA CYS 23 -4.072 3.763 2.771 151 1HB CYS 23 1HB CYS 23 -5.261 3.366 0.110 152 2HB CYS 23 2HB CYS 23 -4.992 2.233 1.445 153 OH TYR 24 OH TYR 24 2.213 1.512 5.462 154 H TYR 24 H TYR 24 -2.146 3.176 1.863 155 HA TYR 24 HA TYR 24 -1.141 4.652 -0.449 156 1HB TYR 24 1HB TYR 24 0.876 5.195 0.790 157 2HB TYR 24 2HB TYR 24 -0.481 5.618 1.848 158 HD1 TYR 24 HD1 TYR 24 1.848 2.777 1.131 159 HD2 TYR 24 HD2 TYR 24 -0.460 4.878 4.044 160 HE1 TYR 24 HE1 TYR 24 2.812 1.310 2.963 161 HE2 TYR 24 HE2 TYR 24 0.508 3.401 5.866 162 HH TYR 24 HH TYR 24 1.797 1.804 6.420 163 H LYS 25 H LYS 25 0.689 3.654 -1.445 164 HA LYS 25 HA LYS 25 1.024 0.799 -0.862 165 1HB LYS 25 1HB LYS 25 1.445 0.739 -3.474 166 2HB LYS 25 2HB LYS 25 -0.200 0.641 -2.822 167 1HG LYS 25 1HG LYS 25 -0.730 2.803 -3.463 168 2HG LYS 25 2HG LYS 25 0.957 3.342 -3.423 169 1HD LYS 25 1HD LYS 25 0.924 3.136 -5.667 170 2HD LYS 25 2HD LYS 25 0.962 1.387 -5.392 171 1HE LYS 25 1HE LYS 25 -0.947 1.411 -6.627 172 2HE LYS 25 2HE LYS 25 -1.699 1.877 -5.092 173 1HZ LYS 25 3HZ LYS 25 -1.461 4.181 -5.837 174 2HZ LYS 25 1HZ LYS 25 -0.830 3.788 -7.129 175 3HZ LYS 25 2HZ LYS 25 -2.256 3.446 -6.863 176 H LYS 26 H LYS 26 3.002 -0.112 -1.458 177 HA LYS 26 HA LYS 26 5.238 1.684 -1.904 178 1HB LYS 26 1HB LYS 26 6.403 0.584 0.100 179 2HB LYS 26 2HB LYS 26 5.335 1.982 0.311 180 1HG LYS 26 1HG LYS 26 3.625 0.703 1.248 181 2HG LYS 26 2HG LYS 26 4.208 -0.799 0.508 182 1HD LYS 26 1HD LYS 26 5.660 0.706 2.707 183 2HD LYS 26 2HD LYS 26 4.594 -0.683 2.980 184 1HE LYS 26 1HE LYS 26 6.351 -1.532 0.973 185 2HE LYS 26 2HE LYS 26 7.371 -0.624 2.103 186 1HZ LYS 26 3HZ LYS 26 6.486 -2.073 3.846 187 2HZ LYS 26 1HZ LYS 26 5.627 -2.838 2.896 188 3HZ LYS 26 2HZ LYS 26 7.113 -2.938 2.806 189 CH2 TRP 27 CH2 TRP 27 4.376 3.333 -6.058 190 H TRP 27 H TRP 27 6.868 0.676 -2.943 191 HA TRP 27 HA TRP 27 7.121 -2.192 -3.036 192 1HB TRP 27 1HB TRP 27 6.993 -2.322 -5.475 193 2HB TRP 27 2HB TRP 27 5.454 -1.783 -4.784 194 HD1 TRP 27 HD1 TRP 27 8.019 -0.769 -7.328 195 HE1 TRP 27 HE1 TRP 27 7.424 1.515 -8.314 196 HE3 TRP 27 HE3 TRP 27 4.400 0.544 -4.019 197 HZ2 TRP 27 HZ2 TRP 27 5.643 3.654 -7.798 198 HZ3 TRP 27 HZ3 TRP 27 3.283 2.748 -4.334 199 HH2 TRP 27 HH2 TRP 27 3.855 4.280 -6.144 200 CH2 TRP 28 CH2 TRP 28 9.451 -4.500 1.175 201 H TRP 28 H TRP 28 9.084 -2.834 -4.055 202 HA TRP 28 HA TRP 28 11.085 -0.892 -4.735 203 1HB TRP 28 1HB TRP 28 12.540 -1.097 -2.968 204 2HB TRP 28 2HB TRP 28 10.951 -0.781 -2.250 205 HD1 TRP 28 HD1 TRP 28 13.543 -3.621 -2.592 206 HE1 TRP 28 HE1 TRP 28 13.050 -5.390 -0.813 207 HE3 TRP 28 HE3 TRP 28 9.177 -1.711 -0.844 208 HZ2 TRP 28 HZ2 TRP 28 11.067 -5.958 1.125 209 HZ3 TRP 28 HZ3 TRP 28 8.026 -2.937 0.994 210 HH2 TRP 28 HH2 TRP 28 8.906 -4.989 1.975 211 H SER 29 H SER 29 12.456 -1.855 -6.087 212 HA SER 29 HA SER 29 12.164 -4.651 -6.706 213 1HB SER 29 1HB SER 29 14.224 -2.856 -7.964 214 2HB SER 29 2HB SER 29 13.356 -4.230 -8.668 215 HG SER 29 HG SER 29 12.621 -2.164 -9.565 216 H ASP 30 H ASP 30 13.572 -6.221 -6.332 217 HA ASP 30 HA ASP 30 15.862 -5.623 -4.602 218 1HB ASP 30 1HB ASP 30 15.593 -8.301 -4.412 219 2HB ASP 30 2HB ASP 30 14.793 -7.155 -3.324 220 H HIS 31 H HIS 31 17.254 -7.917 -4.871 221 HA HIS 31 HA HIS 31 18.942 -7.594 -6.973 222 1HB HIS 31 1HB HIS 31 18.450 -9.701 -5.064 223 2HB HIS 31 2HB HIS 31 19.097 -10.273 -6.612 224 HD2 HIS 31 HD2 HIS 31 20.637 -6.917 -6.211 225 HE1 HIS 31 HE1 HIS 31 23.261 -9.522 -4.124 226 NH1 ARG 32 NH2 ARG 32 17.273 -13.954 -13.976 227 NH2 ARG 32 NH1 ARG 32 16.758 -11.843 -14.784 228 H ARG 32 H ARG 32 16.506 -10.168 -6.843 229 HA ARG 32 HA ARG 32 15.923 -9.775 -9.675 230 1HB ARG 32 1HB ARG 32 17.485 -11.612 -9.690 231 2HB ARG 32 2HB ARG 32 16.640 -12.407 -8.350 232 1HG ARG 32 1HG ARG 32 15.067 -13.297 -9.713 233 2HG ARG 32 2HG ARG 32 14.921 -11.811 -10.668 234 1HD ARG 32 1HD ARG 32 17.471 -13.278 -11.014 235 2HD ARG 32 2HD ARG 32 16.029 -14.129 -11.597 236 HE ARG 32 HE ARG 32 16.111 -11.405 -12.456 237 1HH1 ARG 32 1HH2 ARG 32 17.314 -14.563 -13.248 238 2HH1 ARG 32 2HH2 ARG 32 17.550 -14.229 -14.842 239 1HH2 ARG 32 1HH1 ARG 32 16.437 -10.961 -14.637 240 2HH2 ARG 32 2HH1 ARG 32 17.033 -12.111 -15.652 241 H GLY 33 H GLY 33 14.233 -8.727 -8.109 242 1HA GLY 33 1HA GLY 33 11.802 -10.027 -8.502 243 2HA GLY 33 2HA GLY 33 12.297 -10.259 -6.817 244 H THR 34 H THR 34 10.113 -8.994 -6.856 245 HA THR 34 HA THR 34 10.724 -6.239 -6.178 246 HB THR 34 HB THR 34 8.797 -7.121 -8.364 247 HG1 THR 34 HG1 THR 34 10.044 -5.400 -9.489 248 1HG2 THR 34 3HG2 THR 34 7.681 -5.381 -6.812 249 2HG2 THR 34 1HG2 THR 34 9.093 -4.343 -7.069 250 3HG2 THR 34 2HG2 THR 34 8.028 -4.744 -8.428 251 H ILE 35 H ILE 35 9.959 -5.791 -4.328 252 HA ILE 35 HA ILE 35 7.875 -7.455 -3.147 253 HB ILE 35 HB ILE 35 9.766 -5.563 -1.809 254 1HG1 ILE 35 1HG1 ILE 35 10.913 -7.523 -2.710 255 2HG1 ILE 35 2HG1 ILE 35 10.764 -7.665 -0.950 256 1HG2 ILE 35 3HG2 ILE 35 7.701 -5.633 -0.628 257 2HG2 ILE 35 1HG2 ILE 35 7.712 -7.404 -0.644 258 3HG2 ILE 35 2HG2 ILE 35 8.956 -6.520 0.255 259 1HD1 ILE 35 1HD1 ILE 35 8.953 -9.002 -2.996 260 2HD1 ILE 35 2HD1 ILE 35 10.227 -9.803 -2.061 261 3HD1 ILE 35 3HD1 ILE 35 8.804 -9.144 -1.236 262 H ILE 36 H ILE 36 5.950 -6.629 -2.557 263 HA ILE 36 HA ILE 36 5.429 -3.767 -2.839 264 HB ILE 36 HB ILE 36 3.543 -5.894 -3.888 265 1HG1 ILE 36 1HG1 ILE 36 4.472 -4.713 -6.122 266 2HG1 ILE 36 2HG1 ILE 36 5.941 -4.846 -5.139 267 1HG2 ILE 36 3HG2 ILE 36 2.527 -3.719 -3.305 268 2HG2 ILE 36 1HG2 ILE 36 3.708 -2.891 -4.333 269 3HG2 ILE 36 2HG2 ILE 36 2.514 -3.980 -5.057 270 1HD1 ILE 36 3HD1 ILE 36 5.482 -7.247 -4.781 271 2HD1 ILE 36 1HD1 ILE 36 4.015 -7.114 -5.764 272 3HD1 ILE 36 2HD1 ILE 36 5.603 -6.872 -6.509 273 H GLU 37 H GLU 37 3.796 -2.951 -1.609 274 HA GLU 37 HA GLU 37 2.452 -4.593 0.334 275 1HB GLU 37 1HB GLU 37 4.428 -4.495 1.544 276 2HB GLU 37 2HB GLU 37 4.703 -2.791 1.141 277 1HG GLU 37 1HG GLU 37 3.917 -2.953 3.435 278 2HG GLU 37 2HG GLU 37 2.660 -2.197 2.441 279 NH1 ARG 38 NH2 ARG 38 1.594 -1.561 -3.570 280 NH2 ARG 38 NH1 ARG 38 0.660 -2.332 -5.546 281 H ARG 38 H ARG 38 0.776 -3.509 1.337 282 HA ARG 38 HA ARG 38 0.298 -0.707 0.699 283 1HB ARG 38 1HB ARG 38 -1.612 -2.982 0.080 284 2HB ARG 38 2HB ARG 38 -2.084 -1.274 0.112 285 1HG ARG 38 1HG ARG 38 -1.597 -1.447 -2.120 286 2HG ARG 38 2HG ARG 38 0.033 -1.079 -1.527 287 1HD ARG 38 1HD ARG 38 0.716 -3.338 -1.670 288 2HD ARG 38 2HD ARG 38 -0.952 -3.927 -1.775 289 HE ARG 38 HE ARG 38 -0.825 -3.582 -4.042 290 1HH1 ARG 38 1HH2 ARG 38 1.608 -1.555 -2.619 291 2HH1 ARG 38 2HH2 ARG 38 2.218 -1.036 -4.057 292 1HH2 ARG 38 1HH1 ARG 38 0.018 -2.865 -6.000 293 2HH2 ARG 38 2HH1 ARG 38 1.281 -1.810 -6.041 294 H GLY 39 H GLY 39 -1.209 0.292 2.054 295 1HA GLY 39 1HA GLY 39 -2.522 -1.011 4.200 296 2HA GLY 39 2HA GLY 39 -1.036 -0.209 4.738 297 H CYS 40 H CYS 40 -2.852 0.898 5.986 298 HA CYS 40 HA CYS 40 -4.142 3.058 4.504 299 1HB CYS 40 1HB CYS 40 -4.805 1.595 6.911 300 2HB CYS 40 2HB CYS 40 -4.954 3.353 7.076 301 H GLY 41 H GLY 41 -4.078 5.185 5.672 302 1HA GLY 41 1HA GLY 41 -3.022 6.863 6.907 303 2HA GLY 41 2HA GLY 41 -1.713 5.721 7.254 304 H CYS 42 H CYS 42 -0.315 7.498 6.677 305 HA CYS 42 HA CYS 42 0.554 7.378 3.947 306 1HB CYS 42 1HB CYS 42 -1.192 9.009 3.710 307 2HB CYS 42 2HB CYS 42 -0.455 9.999 4.982 308 HA PRO 43 HA PRO 43 3.800 7.968 7.055 309 1HB PRO 43 1HB PRO 43 5.507 6.053 5.985 310 2HB PRO 43 2HB PRO 43 4.322 5.759 7.268 311 1HG PRO 43 1HG PRO 43 4.244 4.962 4.434 312 2HG PRO 43 2HG PRO 43 3.314 4.330 5.805 313 1HD PRO 43 2HD PRO 43 2.406 6.119 3.768 314 2HD PRO 43 1HD PRO 43 1.515 5.580 5.202 315 H LYS 44 H LYS 44 6.292 8.179 6.540 316 HA LYS 44 HA LYS 44 6.503 10.177 4.455 317 1HB LYS 44 1HB LYS 44 7.450 10.755 6.617 318 2HB LYS 44 2HB LYS 44 8.434 9.281 6.620 319 1HG LYS 44 1HG LYS 44 10.055 10.588 5.745 320 2HG LYS 44 2HG LYS 44 9.148 10.448 4.230 321 1HD LYS 44 1HD LYS 44 8.168 12.555 4.471 322 2HD LYS 44 2HD LYS 44 8.433 12.589 6.222 323 1HE LYS 44 1HE LYS 44 10.233 13.873 5.787 324 2HE LYS 44 2HE LYS 44 11.005 12.399 5.178 325 1HZ LYS 44 3HZ LYS 44 10.156 13.030 2.985 326 2HZ LYS 44 1HZ LYS 44 9.507 14.270 3.498 327 3HZ LYS 44 2HZ LYS 44 10.994 14.153 3.494 328 H VAL 45 H VAL 45 7.547 10.041 2.645 329 HA VAL 45 HA VAL 45 8.159 7.437 1.615 330 HB VAL 45 HB VAL 45 8.443 8.499 -0.495 331 1HG1 VAL 45 3HG1 VAL 45 6.205 7.988 0.204 332 2HG1 VAL 45 1HG1 VAL 45 6.061 9.567 0.994 333 3HG1 VAL 45 2HG1 VAL 45 6.235 9.471 -0.766 334 1HG2 VAL 45 1HG2 VAL 45 9.637 10.536 0.233 335 2HG2 VAL 45 2HG2 VAL 45 8.221 10.944 -0.749 336 3HG2 VAL 45 3HG2 VAL 45 8.159 11.125 1.012 337 H LYS 46 H LYS 46 10.041 6.534 2.030 338 HA LYS 46 HA LYS 46 12.401 8.107 2.659 339 1HB LYS 46 1HB LYS 46 11.566 5.346 3.213 340 2HB LYS 46 2HB LYS 46 13.297 5.682 3.044 341 1HG LYS 46 1HG LYS 46 13.032 7.554 4.689 342 2HG LYS 46 2HG LYS 46 11.351 7.046 4.931 343 1HD LYS 46 1HD LYS 46 13.045 4.745 5.180 344 2HD LYS 46 2HD LYS 46 13.698 6.039 6.200 345 1HE LYS 46 1HE LYS 46 11.980 5.905 7.661 346 2HE LYS 46 2HE LYS 46 10.775 5.789 6.366 347 1HZ LYS 46 3HZ LYS 46 11.359 3.430 6.224 348 2HZ LYS 46 1HZ LYS 46 12.373 3.527 7.314 349 3HZ LYS 46 2HZ LYS 46 10.926 3.712 7.624 350 HA PRO 47 HA PRO 47 14.192 7.452 -1.277 351 1HB PRO 47 1HB PRO 47 16.882 7.512 -0.595 352 2HB PRO 47 2HB PRO 47 15.867 8.952 -0.783 353 1HG PRO 47 1HG PRO 47 16.915 7.714 1.674 354 2HG PRO 47 2HG PRO 47 16.281 9.349 1.422 355 1HD PRO 47 2HD PRO 47 14.956 7.146 2.674 356 2HD PRO 47 1HD PRO 47 14.282 8.745 2.318 357 H GLY 48 H GLY 48 14.733 5.853 -2.563 358 1HA GLY 48 1HA GLY 48 15.779 3.854 -3.229 359 2HA GLY 48 2HA GLY 48 16.006 3.458 -1.517 360 H VAL 49 H VAL 49 13.233 4.172 -0.897 361 HA VAL 49 HA VAL 49 11.920 1.743 -1.883 362 HB VAL 49 HB VAL 49 11.475 3.251 0.673 363 1HG1 VAL 49 1HG1 VAL 49 10.095 0.800 -0.381 364 2HG1 VAL 49 2HG1 VAL 49 9.939 1.464 1.254 365 3HG1 VAL 49 3HG1 VAL 49 9.383 2.404 -0.140 366 1HG2 VAL 49 3HG2 VAL 49 12.645 0.506 0.091 367 2HG2 VAL 49 1HG2 VAL 49 13.559 1.924 0.632 368 3HG2 VAL 49 2HG2 VAL 49 12.354 1.186 1.700 369 H ASN 50 H ASN 50 10.011 1.912 -2.899 370 HA ASN 50 HA ASN 50 9.093 4.536 -3.707 371 1HB ASN 50 1HB ASN 50 7.914 1.888 -4.566 372 2HB ASN 50 2HB ASN 50 7.840 3.450 -5.401 373 1HD2 ASN 50 2HD2 ASN 50 10.275 2.119 -7.451 374 2HD2 ASN 50 1HD2 ASN 50 8.681 2.481 -7.257 375 H LEU 51 H LEU 51 7.220 5.396 -3.014 376 HA LEU 51 HA LEU 51 5.183 3.820 -1.685 377 1HB LEU 51 1HB LEU 51 6.721 4.264 0.078 378 2HB LEU 51 2HB LEU 51 6.593 6.004 -0.228 379 HG LEU 51 HG LEU 51 3.960 5.112 0.161 380 1HD1 LEU 51 1HD1 LEU 51 5.759 3.833 2.186 381 2HD1 LEU 51 2HD1 LEU 51 3.999 3.993 2.302 382 3HD1 LEU 51 3HD1 LEU 51 4.715 3.019 1.008 383 1HD2 LEU 51 3HD2 LEU 51 5.873 6.476 2.091 384 2HD2 LEU 51 1HD2 LEU 51 4.900 7.290 0.854 385 3HD2 LEU 51 2HD2 LEU 51 4.105 6.476 2.213 386 H ASN 52 H ASN 52 3.208 4.706 -1.948 387 HA ASN 52 HA ASN 52 2.966 7.411 -3.032 388 1HB ASN 52 1HB ASN 52 2.763 5.364 -4.724 389 2HB ASN 52 2HB ASN 52 1.126 5.280 -4.048 390 1HD2 ASN 52 2HD2 ASN 52 1.197 7.426 -7.047 391 2HD2 ASN 52 1HD2 ASN 52 1.654 5.885 -6.699 392 H CYS 53 H CYS 53 1.287 8.508 -2.178 393 HA CYS 53 HA CYS 53 -0.467 7.147 -0.258 394 1HB CYS 53 1HB CYS 53 0.588 9.930 -0.330 395 2HB CYS 53 2HB CYS 53 -0.858 9.492 0.596 396 H CYS 54 H CYS 54 -2.647 7.437 -0.444 397 HA CYS 54 HA CYS 54 -3.822 9.226 -2.362 398 1HB CYS 54 1HB CYS 54 -5.152 7.206 -3.316 399 2HB CYS 54 2HB CYS 54 -3.549 7.590 -3.965 400 NH1 ARG 55 NH2 ARG 55 -7.024 14.343 3.165 401 NH2 ARG 55 NH1 ARG 55 -8.051 12.844 4.605 402 H ARG 55 H ARG 55 -6.161 9.179 -2.214 403 HA ARG 55 HA ARG 55 -7.088 8.313 0.432 404 1HB ARG 55 1HB ARG 55 -7.914 10.806 -1.090 405 2HB ARG 55 2HB ARG 55 -8.551 10.288 0.479 406 1HG ARG 55 1HG ARG 55 -6.165 10.389 1.348 407 2HG ARG 55 2HG ARG 55 -5.731 11.182 -0.175 408 1HD ARG 55 1HD ARG 55 -6.152 13.035 1.144 409 2HD ARG 55 2HD ARG 55 -7.766 12.766 0.464 410 HE ARG 55 HE ARG 55 -7.910 11.319 2.686 411 1HH1 ARG 55 1HH2 ARG 55 -6.657 14.535 2.311 412 2HH1 ARG 55 2HH2 ARG 55 -7.028 15.011 3.841 413 1HH2 ARG 55 1HH1 ARG 55 -8.411 11.982 4.777 414 2HH2 ARG 55 2HH1 ARG 55 -8.058 13.507 5.286 415 H THR 56 H THR 56 -7.243 7.105 -2.296 416 HA THR 56 HA THR 56 -10.153 6.977 -2.648 417 HB THR 56 HB THR 56 -9.313 5.760 -4.821 418 HG1 THR 56 HG1 THR 56 -7.088 6.770 -5.378 419 1HG2 THR 56 1HG2 THR 56 -8.868 8.746 -4.479 420 2HG2 THR 56 2HG2 THR 56 -9.071 7.896 -6.020 421 3HG2 THR 56 3HG2 THR 56 -10.412 7.968 -4.865 422 H ASP 57 H ASP 57 -11.220 5.083 -2.712 423 HA ASP 57 HA ASP 57 -10.467 3.137 -0.844 424 1HB ASP 57 1HB ASP 57 -12.694 3.571 -2.705 425 2HB ASP 57 2HB ASP 57 -12.290 1.860 -2.478 426 NH1 ARG 58 NH2 ARG 58 -12.421 -3.756 -5.233 427 NH2 ARG 58 NH1 ARG 58 -13.820 -3.226 -3.463 428 H ARG 58 H ARG 58 -9.454 1.236 -1.087 429 HA ARG 58 HA ARG 58 -7.968 -0.289 -1.949 430 1HB ARG 58 1HB ARG 58 -10.446 -0.425 -3.386 431 2HB ARG 58 2HB ARG 58 -9.101 -0.770 -4.487 432 1HG ARG 58 1HG ARG 58 -8.238 -2.451 -2.892 433 2HG ARG 58 2HG ARG 58 -9.602 -2.117 -1.811 434 1HD ARG 58 1HD ARG 58 -10.074 -2.937 -4.677 435 2HD ARG 58 2HD ARG 58 -9.766 -4.154 -3.426 436 HE ARG 58 HE ARG 58 -11.715 -2.770 -2.284 437 1HH1 ARG 58 1HH2 ARG 58 -11.543 -3.840 -5.584 438 2HH1 ARG 58 2HH2 ARG 58 -13.172 -3.960 -5.779 439 1HH2 ARG 58 1HH1 ARG 58 -13.941 -2.937 -2.566 440 2HH2 ARG 58 2HH1 ARG 58 -14.576 -3.428 -4.003 441 H CYS 59 H CYS 59 -7.485 2.528 -2.530 442 HA CYS 59 HA CYS 59 -6.576 2.820 -5.205 443 1HB CYS 59 1HB CYS 59 -5.654 4.901 -4.548 444 2HB CYS 59 2HB CYS 59 -7.191 4.734 -3.685 445 H ASN 60 H ASN 60 -5.307 1.496 -2.314 446 HA ASN 60 HA ASN 60 -2.608 1.305 -3.389 447 1HB ASN 60 1HB ASN 60 -2.101 0.234 -1.171 448 2HB ASN 60 2HB ASN 60 -2.704 1.896 -1.044 449 1HD2 ASN 60 2HD2 ASN 60 -4.440 0.098 1.523 450 2HD2 ASN 60 1HD2 ASN 60 -2.932 0.659 1.172 451 H ASN 61 H ASN 61 -3.232 -0.139 -5.083 452 HA ASN 61 HA ASN 61 -3.601 -2.916 -4.206 453 1HB ASN 61 1HB ASN 61 -4.966 -3.387 -6.098 454 2HB ASN 61 2HB ASN 61 -5.617 -1.890 -5.410 455 1HD2 ASN 61 2HD2 ASN 61 -5.371 -0.154 -8.302 456 2HD2 ASN 61 1HD2 ASN 61 -6.100 -0.449 -6.856 Start of MODEL 6 Raw file had 456 H/Q atoms Start of MODEL 6 1 1H LEU 1 2H LEU 1 -14.065 2.913 5.278 2 2H LEU 1 3H LEU 1 -12.893 3.412 6.053 3 3H LEU 1 1H LEU 1 -13.824 4.379 5.404 4 HA LEU 1 HA LEU 1 -13.198 3.706 3.178 5 1HB LEU 1 1HB LEU 1 -11.850 5.421 4.713 6 2HB LEU 1 2HB LEU 1 -10.599 4.175 4.557 7 HG LEU 1 HG LEU 1 -11.799 4.955 2.001 8 1HD1 LEU 1 3HD1 LEU 1 -12.061 7.085 3.035 9 2HD1 LEU 1 1HD1 LEU 1 -10.370 7.074 3.563 10 3HD1 LEU 1 2HD1 LEU 1 -10.758 7.130 1.836 11 1HD2 LEU 1 3HD2 LEU 1 -8.947 4.902 3.052 12 2HD2 LEU 1 1HD2 LEU 1 -9.762 3.574 2.208 13 3HD2 LEU 1 2HD2 LEU 1 -9.421 5.089 1.355 14 H GLU 2 H GLU 2 -13.001 1.971 2.132 15 HA GLU 2 HA GLU 2 -11.693 -0.345 3.312 16 1HB GLU 2 1HB GLU 2 -14.052 -0.180 2.028 17 2HB GLU 2 2HB GLU 2 -12.980 -0.664 0.702 18 1HG GLU 2 1HG GLU 2 -12.143 -2.541 2.078 19 2HG GLU 2 2HG GLU 2 -13.240 -2.063 3.385 20 H CYS 3 H CYS 3 -9.701 -0.825 2.762 21 HA CYS 3 HA CYS 3 -8.673 -0.105 0.121 22 1HB CYS 3 1HB CYS 3 -7.283 0.264 2.779 23 2HB CYS 3 2HB CYS 3 -6.443 0.285 1.219 24 H HIS 4 H HIS 4 -6.684 -1.377 -0.361 25 HA HIS 4 HA HIS 4 -7.275 -4.145 -0.133 26 1HB HIS 4 1HB HIS 4 -5.026 -2.675 -1.415 27 2HB HIS 4 2HB HIS 4 -5.132 -4.443 -1.357 28 HD2 HIS 4 HD2 HIS 4 -6.406 -1.526 -3.476 29 HE1 HIS 4 HE1 HIS 4 -8.685 -4.921 -4.617 30 H ASN 5 H ASN 5 -5.829 -5.722 0.751 31 HA ASN 5 HA ASN 5 -4.202 -4.775 3.007 32 1HB ASN 5 1HB ASN 5 -4.857 -7.221 3.864 33 2HB ASN 5 2HB ASN 5 -5.889 -5.817 4.189 34 1HD2 ASN 5 2HD2 ASN 5 -8.517 -7.658 3.003 35 2HD2 ASN 5 1HD2 ASN 5 -7.773 -6.931 4.278 36 H GLN 6 H GLN 6 -4.730 -7.208 0.537 37 HA GLN 6 HA GLN 6 -2.782 -9.035 0.864 38 1HB GLN 6 1HB GLN 6 -2.462 -8.877 -1.712 39 2HB GLN 6 2HB GLN 6 -4.052 -9.339 -1.079 40 1HG GLN 6 1HG GLN 6 -5.040 -7.441 -1.832 41 2HG GLN 6 2HG GLN 6 -3.654 -6.430 -1.390 42 1HE2 GLN 6 2HE2 GLN 6 -4.299 -6.866 -5.114 43 2HE2 GLN 6 1HE2 GLN 6 -5.342 -6.704 -3.852 44 H GLN 7 H GLN 7 -0.649 -9.257 0.468 45 HA GLN 7 HA GLN 7 0.899 -6.783 0.150 46 1HB GLN 7 1HB GLN 7 0.788 -7.812 2.504 47 2HB GLN 7 2HB GLN 7 1.905 -9.021 1.846 48 1HG GLN 7 1HG GLN 7 2.827 -6.461 1.003 49 2HG GLN 7 2HG GLN 7 2.472 -6.352 2.736 50 1HE2 GLN 7 2HE2 GLN 7 5.952 -7.479 2.079 51 2HE2 GLN 7 1HE2 GLN 7 5.030 -6.229 1.538 52 H SER 8 H SER 8 2.884 -7.005 -0.901 53 HA SER 8 HA SER 8 4.386 -7.767 -2.452 54 1HB SER 8 1HB SER 8 3.556 -10.231 -1.042 55 2HB SER 8 2HB SER 8 4.357 -10.415 -2.612 56 HG SER 8 HG SER 8 5.901 -10.480 -0.818 57 H SER 9 H SER 9 2.481 -10.579 -2.987 58 HA SER 9 HA SER 9 1.147 -9.410 -5.304 59 1HB SER 9 1HB SER 9 2.743 -11.990 -5.345 60 2HB SER 9 2HB SER 9 1.751 -11.366 -6.675 61 HG SER 9 HG SER 9 4.053 -10.923 -7.006 62 H GLN 10 H GLN 10 0.187 -10.104 -2.717 63 HA GLN 10 HA GLN 10 -1.151 -12.573 -2.656 64 1HB GLN 10 1HB GLN 10 -1.012 -10.240 -0.993 65 2HB GLN 10 2HB GLN 10 -2.681 -10.814 -1.145 66 1HG GLN 10 1HG GLN 10 -2.264 -12.613 0.135 67 2HG GLN 10 2HG GLN 10 -0.824 -13.030 -0.811 68 1HE2 GLN 10 2HE2 GLN 10 -0.432 -11.780 2.858 69 2HE2 GLN 10 1HE2 GLN 10 -1.747 -12.493 2.174 70 HA PRO 11 HA PRO 11 -4.759 -11.827 -5.004 71 1HB PRO 11 1HB PRO 11 -6.835 -12.640 -3.350 72 2HB PRO 11 2HB PRO 11 -5.778 -13.746 -4.244 73 1HG PRO 11 1HG PRO 11 -5.846 -13.148 -1.361 74 2HG PRO 11 2HG PRO 11 -5.118 -14.526 -2.206 75 1HD PRO 11 2HD PRO 11 -3.774 -12.252 -1.113 76 2HD PRO 11 1HD PRO 11 -3.063 -13.572 -2.057 77 HA PRO 12 HA PRO 12 -6.709 -8.060 -4.180 78 1HB PRO 12 1HB PRO 12 -9.203 -8.379 -5.362 79 2HB PRO 12 2HB PRO 12 -7.709 -8.046 -6.255 80 1HG PRO 12 1HG PRO 12 -9.252 -10.548 -6.063 81 2HG PRO 12 2HG PRO 12 -8.033 -10.069 -7.257 82 1HD PRO 12 2HD PRO 12 -7.702 -11.872 -5.061 83 2HD PRO 12 1HD PRO 12 -6.454 -11.302 -6.185 84 H THR 13 H THR 13 -6.755 -8.286 -1.955 85 HA THR 13 HA THR 13 -9.409 -8.826 -0.808 86 HB THR 13 HB THR 13 -8.013 -9.256 1.310 87 HG1 THR 13 HG1 THR 13 -5.703 -9.954 0.634 88 1HG2 THR 13 3HG2 THR 13 -9.028 -11.117 0.050 89 2HG2 THR 13 1HG2 THR 13 -7.620 -11.157 -1.024 90 3HG2 THR 13 2HG2 THR 13 -7.438 -11.566 0.690 91 H THR 14 H THR 14 -10.308 -7.420 0.510 92 HA THR 14 HA THR 14 -8.909 -4.903 1.068 93 HB THR 14 HB THR 14 -11.833 -4.913 0.299 94 HG1 THR 14 HG1 THR 14 -11.099 -4.718 -1.981 95 1HG2 THR 14 1HG2 THR 14 -9.474 -3.063 -0.402 96 2HG2 THR 14 2HG2 THR 14 -11.185 -2.721 -0.711 97 3HG2 THR 14 3HG2 THR 14 -10.573 -2.752 0.952 98 H LYS 15 H LYS 15 -10.118 -3.591 2.664 99 HA LYS 15 HA LYS 15 -11.856 -4.796 4.527 100 1HB LYS 15 1HB LYS 15 -9.483 -5.912 4.867 101 2HB LYS 15 2HB LYS 15 -9.121 -4.388 5.696 102 1HG LYS 15 1HG LYS 15 -11.704 -5.452 6.513 103 2HG LYS 15 2HG LYS 15 -10.406 -6.627 6.785 104 1HD LYS 15 1HD LYS 15 -9.506 -4.013 7.591 105 2HD LYS 15 2HD LYS 15 -11.065 -4.357 8.359 106 1HE LYS 15 1HE LYS 15 -9.620 -6.750 8.577 107 2HE LYS 15 2HE LYS 15 -8.439 -5.476 8.926 108 1HZ LYS 15 3HZ LYS 15 -10.011 -4.673 10.600 109 2HZ LYS 15 1HZ LYS 15 -11.005 -5.745 10.307 110 3HZ LYS 15 2HZ LYS 15 -9.690 -6.094 10.918 111 H THR 16 H THR 16 -12.243 -3.453 6.373 112 HA THR 16 HA THR 16 -12.304 -0.690 5.563 113 HB THR 16 HB THR 16 -13.653 -2.297 7.716 114 HG1 THR 16 HG1 THR 16 -15.505 -1.516 6.398 115 1HG2 THR 16 3HG2 THR 16 -13.173 0.094 8.568 116 2HG2 THR 16 1HG2 THR 16 -13.933 0.704 7.089 117 3HG2 THR 16 2HG2 THR 16 -14.893 -0.201 8.270 118 H CYS 17 H CYS 17 -11.335 0.975 6.626 119 HA CYS 17 HA CYS 17 -9.131 0.292 8.411 120 1HB CYS 17 1HB CYS 17 -9.667 2.629 6.599 121 2HB CYS 17 2HB CYS 17 -8.517 2.766 7.940 122 H SER 18 H SER 18 -8.704 2.321 9.910 123 HA SER 18 HA SER 18 -11.102 2.551 11.550 124 1HB SER 18 1HB SER 18 -8.324 3.395 12.375 125 2HB SER 18 2HB SER 18 -9.701 2.957 13.402 126 HG SER 18 HG SER 18 -8.039 1.270 13.381 127 H GLY 19 H GLY 19 -9.913 4.832 12.946 128 1HA GLY 19 1HA GLY 19 -11.329 6.915 11.888 129 2HA GLY 19 2HA GLY 19 -9.916 7.122 12.938 130 H GLU 20 H GLU 20 -8.397 5.579 10.785 131 HA GLU 20 HA GLU 20 -7.408 7.864 9.380 132 1HB GLU 20 1HB GLU 20 -6.291 5.487 10.171 133 2HB GLU 20 2HB GLU 20 -6.429 5.315 8.413 134 1HG GLU 20 1HG GLU 20 -5.310 7.820 9.681 135 2HG GLU 20 2HG GLU 20 -4.288 6.414 9.337 136 H THR 21 H THR 21 -8.144 8.568 7.518 137 HA THR 21 HA THR 21 -9.767 6.819 5.813 138 HB THR 21 HB THR 21 -11.104 8.586 6.681 139 HG1 THR 21 HG1 THR 21 -11.605 9.648 4.582 140 1HG2 THR 21 1HG2 THR 21 -9.050 10.484 5.390 141 2HG2 THR 21 2HG2 THR 21 -10.533 10.977 6.226 142 3HG2 THR 21 3HG2 THR 21 -9.195 10.267 7.143 143 H ASN 22 H ASN 22 -6.953 6.781 5.714 144 HA ASN 22 HA ASN 22 -6.519 7.634 2.965 145 1HB ASN 22 1HB ASN 22 -4.636 8.223 5.270 146 2HB ASN 22 2HB ASN 22 -4.206 8.381 3.558 147 1HD2 ASN 22 2HD2 ASN 22 -6.939 10.901 5.285 148 2HD2 ASN 22 1HD2 ASN 22 -6.714 9.369 5.844 149 H CYS 23 H CYS 23 -4.853 6.417 1.947 150 HA CYS 23 HA CYS 23 -3.609 4.208 3.321 151 1HB CYS 23 1HB CYS 23 -5.086 3.462 0.844 152 2HB CYS 23 2HB CYS 23 -4.618 2.466 2.233 153 OH TYR 24 OH TYR 24 2.880 1.876 5.467 154 H TYR 24 H TYR 24 -1.831 3.449 2.275 155 HA TYR 24 HA TYR 24 -1.014 4.785 -0.211 156 1HB TYR 24 1HB TYR 24 1.083 5.341 0.782 157 2HB TYR 24 2HB TYR 24 -0.153 5.830 1.954 158 HD1 TYR 24 HD2 TYR 24 -0.612 4.312 3.929 159 HD2 TYR 24 HD1 TYR 24 2.776 3.816 1.378 160 HE1 TYR 24 HE2 TYR 24 0.538 2.921 5.713 161 HE2 TYR 24 HE1 TYR 24 3.914 2.427 3.172 162 HH TYR 24 HH TYR 24 2.231 1.796 6.332 163 H LYS 25 H LYS 25 0.731 3.678 -1.284 164 HA LYS 25 HA LYS 25 1.104 0.866 -0.561 165 1HB LYS 25 1HB LYS 25 1.121 0.478 -3.122 166 2HB LYS 25 2HB LYS 25 -0.448 0.673 -2.320 167 1HG LYS 25 1HG LYS 25 -0.249 3.165 -2.909 168 2HG LYS 25 2HG LYS 25 1.069 2.687 -3.991 169 1HD LYS 25 1HD LYS 25 -1.155 0.928 -4.425 170 2HD LYS 25 2HD LYS 25 -1.737 2.601 -4.484 171 1HE LYS 25 1HE LYS 25 0.629 1.524 -6.055 172 2HE LYS 25 2HE LYS 25 -0.999 1.767 -6.710 173 1HZ LYS 25 1HZ LYS 25 0.675 3.926 -5.659 174 2HZ LYS 25 2HZ LYS 25 0.415 3.705 -7.112 175 3HZ LYS 25 3HZ LYS 25 -0.695 4.130 -6.211 176 H LYS 26 H LYS 26 3.042 0.072 -0.714 177 HA LYS 26 HA LYS 26 5.179 1.755 -1.811 178 1HB LYS 26 1HB LYS 26 6.515 0.778 0.214 179 2HB LYS 26 2HB LYS 26 5.600 2.294 0.289 180 1HG LYS 26 1HG LYS 26 3.857 1.331 1.516 181 2HG LYS 26 2HG LYS 26 4.269 -0.312 0.999 182 1HD LYS 26 1HD LYS 26 6.010 1.389 2.811 183 2HD LYS 26 2HD LYS 26 4.850 0.182 3.393 184 1HE LYS 26 1HE LYS 26 6.270 -1.263 1.540 185 2HE LYS 26 2HE LYS 26 7.519 -0.185 2.186 186 1HZ LYS 26 3HZ LYS 26 6.900 -1.018 4.388 187 2HZ LYS 26 1HZ LYS 26 5.848 -1.925 3.844 188 3HZ LYS 26 2HZ LYS 26 7.286 -2.187 3.547 189 CH2 TRP 27 CH2 TRP 27 4.378 3.144 -6.045 190 H TRP 27 H TRP 27 6.784 0.642 -2.816 191 HA TRP 27 HA TRP 27 6.997 -2.229 -2.674 192 1HB TRP 27 1HB TRP 27 6.720 -2.581 -5.066 193 2HB TRP 27 2HB TRP 27 5.238 -1.910 -4.365 194 HD1 TRP 27 HD1 TRP 27 7.662 -1.295 -7.144 195 HE1 TRP 27 HE1 TRP 27 7.131 0.916 -8.313 196 HE3 TRP 27 HE3 TRP 27 4.388 0.568 -3.744 197 HZ2 TRP 27 HZ2 TRP 27 5.527 3.211 -7.892 198 HZ3 TRP 27 HZ3 TRP 27 3.386 2.803 -4.198 199 HH2 TRP 27 HH2 TRP 27 3.909 4.112 -6.188 200 CH2 TRP 28 CH2 TRP 28 9.563 -4.453 1.473 201 H TRP 28 H TRP 28 8.886 -2.986 -3.781 202 HA TRP 28 HA TRP 28 10.880 -1.122 -4.676 203 1HB TRP 28 1HB TRP 28 12.425 -1.265 -2.991 204 2HB TRP 28 2HB TRP 28 10.886 -0.901 -2.194 205 HD1 TRP 28 HD1 TRP 28 13.425 -3.784 -2.570 206 HE1 TRP 28 HE1 TRP 28 13.023 -5.470 -0.690 207 HE3 TRP 28 HE3 TRP 28 9.192 -1.749 -0.644 208 HZ2 TRP 28 HZ2 TRP 28 11.157 -5.932 1.389 209 HZ3 TRP 28 HZ3 TRP 28 8.145 -2.878 1.312 210 HH2 TRP 28 HH2 TRP 28 9.061 -4.901 2.324 211 H SER 29 H SER 29 12.194 -2.177 -6.027 212 HA SER 29 HA SER 29 11.809 -5.000 -6.499 213 1HB SER 29 1HB SER 29 13.311 -4.627 -8.443 214 2HB SER 29 2HB SER 29 11.819 -3.671 -8.451 215 HG SER 29 HG SER 29 13.692 -2.396 -9.136 216 H ASP 30 H ASP 30 13.346 -6.538 -6.233 217 HA ASP 30 HA ASP 30 15.724 -5.824 -4.675 218 1HB ASP 30 1HB ASP 30 15.061 -8.668 -4.898 219 2HB ASP 30 2HB ASP 30 15.448 -7.699 -3.466 220 H HIS 31 H HIS 31 17.111 -8.170 -5.066 221 HA HIS 31 HA HIS 31 18.639 -7.720 -7.312 222 1HB HIS 31 1HB HIS 31 18.454 -9.825 -5.329 223 2HB HIS 31 2HB HIS 31 19.064 -10.343 -6.909 224 HD2 HIS 31 HD2 HIS 31 21.576 -9.302 -7.627 225 HE1 HIS 31 HE1 HIS 31 22.330 -7.393 -3.910 226 NH1 ARG 32 NH2 ARG 32 18.171 -15.480 -12.231 227 NH2 ARG 32 NH1 ARG 32 16.894 -17.246 -11.443 228 H ARG 32 H ARG 32 16.413 -10.447 -6.881 229 HA ARG 32 HA ARG 32 15.607 -10.225 -9.682 230 1HB ARG 32 1HB ARG 32 17.254 -12.020 -9.615 231 2HB ARG 32 2HB ARG 32 16.414 -12.776 -8.251 232 1HG ARG 32 1HG ARG 32 14.858 -13.731 -9.585 233 2HG ARG 32 2HG ARG 32 14.690 -12.277 -10.584 234 1HD ARG 32 1HD ARG 32 15.856 -13.313 -12.200 235 2HD ARG 32 2HD ARG 32 17.267 -13.315 -11.127 236 HE ARG 32 HE ARG 32 15.387 -15.465 -10.677 237 1HH1 ARG 32 1HH2 ARG 32 18.294 -14.544 -12.339 238 2HH1 ARG 32 2HH2 ARG 32 18.821 -16.086 -12.567 239 1HH2 ARG 32 1HH1 ARG 32 16.120 -17.568 -10.996 240 2HH2 ARG 32 2HH1 ARG 32 17.539 -17.858 -11.777 241 H GLY 33 H GLY 33 14.081 -9.156 -7.829 242 1HA GLY 33 1HA GLY 33 11.643 -10.585 -8.027 243 2HA GLY 33 2HA GLY 33 12.269 -10.589 -6.368 244 H THR 34 H THR 34 10.118 -9.431 -6.189 245 HA THR 34 HA THR 34 10.598 -6.612 -5.891 246 HB THR 34 HB THR 34 8.622 -7.730 -7.922 247 HG1 THR 34 HG1 THR 34 9.802 -6.110 -9.252 248 1HG2 THR 34 3HG2 THR 34 7.537 -5.865 -6.501 249 2HG2 THR 34 1HG2 THR 34 8.923 -4.839 -6.908 250 3HG2 THR 34 2HG2 THR 34 7.816 -5.380 -8.183 251 H ILE 35 H ILE 35 9.903 -6.067 -4.042 252 HA ILE 35 HA ILE 35 7.808 -7.632 -2.738 253 HB ILE 35 HB ILE 35 9.828 -5.683 -1.580 254 1HG1 ILE 35 1HG1 ILE 35 10.814 -7.827 -2.335 255 2HG1 ILE 35 2HG1 ILE 35 10.850 -7.661 -0.571 256 1HG2 ILE 35 3HG2 ILE 35 7.801 -5.546 -0.339 257 2HG2 ILE 35 1HG2 ILE 35 7.752 -7.307 -0.158 258 3HG2 ILE 35 2HG2 ILE 35 9.053 -6.375 0.602 259 1HD1 ILE 35 1HD1 ILE 35 8.795 -9.240 -2.161 260 2HD1 ILE 35 2HD1 ILE 35 10.138 -9.930 -1.233 261 3HD1 ILE 35 3HD1 ILE 35 8.830 -9.074 -0.398 262 H ILE 36 H ILE 36 5.987 -6.813 -2.008 263 HA ILE 36 HA ILE 36 5.383 -4.011 -2.592 264 HB ILE 36 HB ILE 36 3.345 -6.172 -3.097 265 1HG1 ILE 36 1HG1 ILE 36 5.478 -6.604 -4.442 266 2HG1 ILE 36 2HG1 ILE 36 3.985 -6.393 -5.373 267 1HG2 ILE 36 3HG2 ILE 36 2.509 -3.951 -2.886 268 2HG2 ILE 36 1HG2 ILE 36 3.629 -3.374 -4.131 269 3HG2 ILE 36 2HG2 ILE 36 2.349 -4.521 -4.555 270 1HD1 ILE 36 1HD1 ILE 36 6.077 -4.245 -4.869 271 2HD1 ILE 36 2HD1 ILE 36 5.848 -5.130 -6.387 272 3HD1 ILE 36 3HD1 ILE 36 4.585 -4.034 -5.801 273 H GLU 37 H GLU 37 3.768 -3.085 -1.373 274 HA GLU 37 HA GLU 37 2.617 -4.434 0.866 275 1HB GLU 37 1HB GLU 37 5.095 -3.859 1.470 276 2HB GLU 37 2HB GLU 37 4.499 -2.195 1.585 277 1HG GLU 37 1HG GLU 37 3.137 -4.473 3.030 278 2HG GLU 37 2HG GLU 37 4.509 -3.604 3.742 279 NH1 ARG 38 NH2 ARG 38 2.305 -1.432 -2.763 280 NH2 ARG 38 NH1 ARG 38 1.703 -1.729 -4.982 281 H ARG 38 H ARG 38 0.970 -3.361 1.757 282 HA ARG 38 HA ARG 38 0.427 -0.608 1.050 283 1HB ARG 38 1HB ARG 38 -1.331 -2.927 0.204 284 2HB ARG 38 2HB ARG 38 -1.916 -1.258 0.313 285 1HG ARG 38 1HG ARG 38 -1.250 -1.128 -1.850 286 2HG ARG 38 2HG ARG 38 0.366 -0.921 -1.154 287 1HD ARG 38 1HD ARG 38 0.836 -3.286 -1.399 288 2HD ARG 38 2HD ARG 38 -0.829 -3.608 -1.912 289 HE ARG 38 HE ARG 38 -0.210 -2.933 -4.020 290 1HH1 ARG 38 1HH2 ARG 38 2.125 -1.571 -1.841 291 2HH1 ARG 38 2HH2 ARG 38 3.079 -0.948 -3.027 292 1HH2 ARG 38 1HH1 ARG 38 1.103 -2.074 -5.633 293 2HH2 ARG 38 2HH1 ARG 38 2.475 -1.247 -5.254 294 H GLY 39 H GLY 39 -1.302 0.290 2.258 295 1HA GLY 39 1HA GLY 39 -2.811 -0.989 4.213 296 2HA GLY 39 2HA GLY 39 -1.314 -0.406 4.963 297 H CYS 40 H CYS 40 -3.270 0.734 6.072 298 HA CYS 40 HA CYS 40 -4.332 3.050 4.738 299 1HB CYS 40 1HB CYS 40 -5.045 1.567 7.005 300 2HB CYS 40 2HB CYS 40 -4.693 3.222 7.532 301 H GLY 41 H GLY 41 -4.109 5.105 6.272 302 1HA GLY 41 1HA GLY 41 -2.813 6.748 7.229 303 2HA GLY 41 2HA GLY 41 -1.553 5.527 7.472 304 H CYS 42 H CYS 42 -0.323 7.530 6.779 305 HA CYS 42 HA CYS 42 0.538 7.201 4.060 306 1HB CYS 42 1HB CYS 42 -1.122 9.507 4.816 307 2HB CYS 42 2HB CYS 42 0.310 9.812 3.816 308 HA PRO 43 HA PRO 43 3.744 8.354 7.055 309 1HB PRO 43 1HB PRO 43 5.579 6.455 6.187 310 2HB PRO 43 2HB PRO 43 4.423 6.227 7.511 311 1HG PRO 43 1HG PRO 43 4.389 5.107 4.787 312 2HG PRO 43 2HG PRO 43 3.512 4.573 6.232 313 1HD PRO 43 2HD PRO 43 2.471 6.049 4.016 314 2HD PRO 43 1HD PRO 43 1.627 5.617 5.513 315 H LYS 44 H LYS 44 6.231 8.635 6.467 316 HA LYS 44 HA LYS 44 6.304 10.510 4.285 317 1HB LYS 44 1HB LYS 44 7.639 10.261 6.736 318 2HB LYS 44 2HB LYS 44 8.849 10.236 5.441 319 1HG LYS 44 1HG LYS 44 7.532 12.236 4.455 320 2HG LYS 44 2HG LYS 44 6.787 12.352 6.059 321 1HD LYS 44 1HD LYS 44 8.562 13.577 6.685 322 2HD LYS 44 2HD LYS 44 9.525 12.094 6.573 323 1HE LYS 44 1HE LYS 44 9.199 13.135 3.930 324 2HE LYS 44 2HE LYS 44 9.718 14.464 4.983 325 1HZ LYS 44 3HZ LYS 44 11.571 13.029 5.642 326 2HZ LYS 44 1HZ LYS 44 11.134 11.911 4.757 327 3HZ LYS 44 2HZ LYS 44 11.621 13.189 4.161 328 H VAL 45 H VAL 45 7.242 10.174 2.370 329 HA VAL 45 HA VAL 45 8.040 7.511 1.616 330 HB VAL 45 HB VAL 45 8.002 8.318 -0.635 331 1HG1 VAL 45 3HG1 VAL 45 5.822 7.984 0.314 332 2HG1 VAL 45 1HG1 VAL 45 5.787 9.657 0.894 333 3HG1 VAL 45 2HG1 VAL 45 5.802 9.322 -0.846 334 1HG2 VAL 45 1HG2 VAL 45 9.303 10.389 -0.291 335 2HG2 VAL 45 2HG2 VAL 45 7.816 10.713 -1.196 336 3HG2 VAL 45 3HG2 VAL 45 7.913 11.127 0.524 337 H LYS 46 H LYS 46 9.926 6.792 2.020 338 HA LYS 46 HA LYS 46 12.203 8.582 2.277 339 1HB LYS 46 1HB LYS 46 12.795 7.162 3.907 340 2HB LYS 46 2HB LYS 46 11.409 6.125 3.529 341 1HG LYS 46 1HG LYS 46 12.801 5.109 1.676 342 2HG LYS 46 2HG LYS 46 14.187 6.008 2.319 343 1HD LYS 46 1HD LYS 46 13.423 4.862 4.596 344 2HD LYS 46 2HD LYS 46 12.712 3.677 3.486 345 1HE LYS 46 1HE LYS 46 15.316 4.208 2.513 346 2HE LYS 46 2HE LYS 46 15.473 4.012 4.267 347 1HZ LYS 46 3HZ LYS 46 14.328 1.883 3.991 348 2HZ LYS 46 1HZ LYS 46 14.195 2.047 2.514 349 3HZ LYS 46 2HZ LYS 46 15.542 1.865 3.126 350 HA PRO 47 HA PRO 47 13.827 7.744 -1.599 351 1HB PRO 47 1HB PRO 47 16.527 8.137 -1.079 352 2HB PRO 47 2HB PRO 47 15.356 9.445 -1.331 353 1HG PRO 47 1HG PRO 47 16.645 8.545 1.161 354 2HG PRO 47 2HG PRO 47 15.832 10.079 0.807 355 1HD PRO 47 2HD PRO 47 14.806 7.877 2.316 356 2HD PRO 47 1HD PRO 47 13.951 9.361 1.862 357 H GLY 48 H GLY 48 14.426 6.080 -2.759 358 1HA GLY 48 1HA GLY 48 15.801 4.178 -3.246 359 2HA GLY 48 2HA GLY 48 15.890 3.882 -1.502 360 H VAL 49 H VAL 49 13.021 4.437 -1.193 361 HA VAL 49 HA VAL 49 11.943 1.922 -2.259 362 HB VAL 49 HB VAL 49 11.126 3.267 0.296 363 1HG1 VAL 49 3HG1 VAL 49 9.374 1.949 -0.689 364 2HG1 VAL 49 1HG1 VAL 49 10.469 0.567 -0.857 365 3HG1 VAL 49 2HG1 VAL 49 10.021 1.153 0.755 366 1HG2 VAL 49 3HG2 VAL 49 12.965 0.890 -0.170 367 2HG2 VAL 49 1HG2 VAL 49 13.464 2.478 0.436 368 3HG2 VAL 49 2HG2 VAL 49 12.388 1.459 1.406 369 H ASN 50 H ASN 50 9.883 1.963 -3.091 370 HA ASN 50 HA ASN 50 8.917 4.541 -4.001 371 1HB ASN 50 1HB ASN 50 7.845 1.795 -4.712 372 2HB ASN 50 2HB ASN 50 7.547 3.323 -5.558 373 1HD2 ASN 50 2HD2 ASN 50 9.990 1.476 -7.496 374 2HD2 ASN 50 1HD2 ASN 50 8.421 1.314 -7.027 375 H LEU 51 H LEU 51 7.035 5.394 -3.312 376 HA LEU 51 HA LEU 51 5.047 3.862 -1.891 377 1HB LEU 51 1HB LEU 51 6.935 4.788 -0.299 378 2HB LEU 51 2HB LEU 51 6.061 6.315 -0.511 379 HG LEU 51 HG LEU 51 4.403 3.996 0.262 380 1HD1 LEU 51 1HD1 LEU 51 6.364 5.271 2.204 381 2HD1 LEU 51 2HD1 LEU 51 5.057 4.157 2.637 382 3HD1 LEU 51 3HD1 LEU 51 6.410 3.591 1.645 383 1HD2 LEU 51 1HD2 LEU 51 3.418 6.143 -0.037 384 2HD2 LEU 51 2HD2 LEU 51 3.317 5.642 1.658 385 3HD2 LEU 51 3HD2 LEU 51 4.513 6.851 1.162 386 H ASN 52 H ASN 52 3.072 4.746 -1.863 387 HA ASN 52 HA ASN 52 2.675 7.290 -3.230 388 1HB ASN 52 1HB ASN 52 2.469 5.087 -4.725 389 2HB ASN 52 2HB ASN 52 0.863 5.032 -3.976 390 1HD2 ASN 52 2HD2 ASN 52 0.567 6.856 -7.104 391 2HD2 ASN 52 1HD2 ASN 52 0.975 5.340 -6.612 392 H CYS 53 H CYS 53 1.065 8.412 -2.311 393 HA CYS 53 HA CYS 53 -0.640 7.112 -0.303 394 1HB CYS 53 1HB CYS 53 0.716 9.721 -0.338 395 2HB CYS 53 2HB CYS 53 -0.899 9.635 0.386 396 H CYS 54 H CYS 54 -2.812 7.471 -0.423 397 HA CYS 54 HA CYS 54 -4.023 9.349 -2.197 398 1HB CYS 54 1HB CYS 54 -5.329 7.452 -3.361 399 2HB CYS 54 2HB CYS 54 -3.702 7.850 -3.942 400 NH1 ARG 55 NH2 ARG 55 -9.202 14.240 2.068 401 NH2 ARG 55 NH1 ARG 55 -9.947 12.995 3.875 402 H ARG 55 H ARG 55 -6.359 9.262 -2.026 403 HA ARG 55 HA ARG 55 -7.225 8.189 0.565 404 1HB ARG 55 1HB ARG 55 -7.984 10.770 -0.804 405 2HB ARG 55 2HB ARG 55 -8.873 10.089 0.570 406 1HG ARG 55 1HG ARG 55 -6.836 10.159 1.940 407 2HG ARG 55 2HG ARG 55 -5.919 10.797 0.564 408 1HD ARG 55 1HD ARG 55 -6.423 12.752 1.720 409 2HD ARG 55 2HD ARG 55 -7.776 12.670 0.578 410 HE ARG 55 HE ARG 55 -8.248 11.389 3.126 411 1HH1 ARG 55 1HH2 ARG 55 -8.619 14.333 1.323 412 2HH1 ARG 55 2HH2 ARG 55 -9.827 14.927 2.270 413 1HH2 ARG 55 1HH1 ARG 55 -9.899 12.213 4.412 414 2HH2 ARG 55 2HH1 ARG 55 -10.574 13.677 4.084 415 H THR 56 H THR 56 -7.369 7.113 -2.238 416 HA THR 56 HA THR 56 -10.257 6.970 -2.650 417 HB THR 56 HB THR 56 -9.267 5.757 -4.824 418 HG1 THR 56 HG1 THR 56 -7.188 6.863 -5.317 419 1HG2 THR 56 3HG2 THR 56 -10.523 8.016 -4.765 420 2HG2 THR 56 1HG2 THR 56 -8.984 8.785 -4.341 421 3HG2 THR 56 2HG2 THR 56 -9.177 8.001 -5.918 422 H ASP 57 H ASP 57 -11.298 5.006 -2.722 423 HA ASP 57 HA ASP 57 -10.493 3.002 -0.940 424 1HB ASP 57 1HB ASP 57 -12.698 3.348 -2.906 425 2HB ASP 57 2HB ASP 57 -12.306 1.687 -2.427 426 NH1 ARG 58 NH2 ARG 58 -12.500 -5.007 -4.266 427 NH2 ARG 58 NH1 ARG 58 -14.146 -3.375 -4.223 428 H ARG 58 H ARG 58 -9.495 1.096 -1.277 429 HA ARG 58 HA ARG 58 -7.996 -0.369 -2.206 430 1HB ARG 58 1HB ARG 58 -10.309 -0.192 -4.095 431 2HB ARG 58 2HB ARG 58 -8.852 -1.040 -4.641 432 1HG ARG 58 1HG ARG 58 -8.958 -2.388 -2.502 433 2HG ARG 58 2HG ARG 58 -10.543 -1.655 -2.201 434 1HD ARG 58 1HD ARG 58 -10.053 -2.946 -4.862 435 2HD ARG 58 2HD ARG 58 -10.326 -3.990 -3.457 436 HE ARG 58 HE ARG 58 -12.249 -1.852 -3.892 437 1HH1 ARG 58 1HH2 ARG 58 -11.582 -5.243 -4.214 438 2HH1 ARG 58 2HH2 ARG 58 -13.157 -5.680 -4.397 439 1HH2 ARG 58 1HH1 ARG 58 -14.399 -2.463 -4.143 440 2HH2 ARG 58 2HH1 ARG 58 -14.809 -4.042 -4.354 441 H CYS 59 H CYS 59 -7.526 2.475 -2.598 442 HA CYS 59 HA CYS 59 -6.457 2.855 -5.233 443 1HB CYS 59 1HB CYS 59 -5.851 4.979 -4.623 444 2HB CYS 59 2HB CYS 59 -7.394 4.677 -3.805 445 H ASN 60 H ASN 60 -5.416 1.677 -2.165 446 HA ASN 60 HA ASN 60 -2.596 1.704 -2.900 447 1HB ASN 60 1HB ASN 60 -2.194 0.899 -0.612 448 2HB ASN 60 2HB ASN 60 -3.173 2.376 -0.592 449 1HD2 ASN 60 2HD2 ASN 60 -4.610 0.040 1.797 450 2HD2 ASN 60 1HD2 ASN 60 -3.187 0.840 1.585 451 H ASN 61 H ASN 61 -2.956 0.146 -4.599 452 HA ASN 61 HA ASN 61 -3.164 -2.617 -3.629 453 1HB ASN 61 1HB ASN 61 -5.130 -2.061 -5.009 454 2HB ASN 61 2HB ASN 61 -4.064 -1.518 -6.316 455 1HD2 ASN 61 2HD2 ASN 61 -5.310 -5.045 -6.701 456 2HD2 ASN 61 1HD2 ASN 61 -6.053 -3.642 -6.268 Start of MODEL 7 Raw file had 456 H/Q atoms Start of MODEL 7 1 1H LEU 1 2H LEU 1 -14.893 2.706 4.418 2 2H LEU 1 3H LEU 1 -14.050 3.329 5.477 3 3H LEU 1 1H LEU 1 -14.792 4.191 4.512 4 HA LEU 1 HA LEU 1 -13.470 3.470 2.633 5 1HB LEU 1 1HB LEU 1 -12.765 5.349 4.393 6 2HB LEU 1 2HB LEU 1 -11.452 4.199 4.696 7 HG LEU 1 HG LEU 1 -11.922 4.860 1.858 8 1HD1 LEU 1 3HD1 LEU 1 -12.428 7.004 2.756 9 2HD1 LEU 1 1HD1 LEU 1 -10.940 6.993 3.716 10 3HD1 LEU 1 2HD1 LEU 1 -10.852 7.023 1.948 11 1HD2 LEU 1 3HD2 LEU 1 -9.454 4.802 3.632 12 2HD2 LEU 1 1HD2 LEU 1 -10.029 3.468 2.619 13 3HD2 LEU 1 2HD2 LEU 1 -9.457 4.968 1.868 14 H GLU 2 H GLU 2 -12.695 1.787 1.777 15 HA GLU 2 HA GLU 2 -11.599 -0.331 3.477 16 1HB GLU 2 1HB GLU 2 -12.399 -1.921 1.985 17 2HB GLU 2 2HB GLU 2 -13.663 -0.684 1.884 18 1HG GLU 2 1HG GLU 2 -12.286 0.287 -0.074 19 2HG GLU 2 2HG GLU 2 -11.437 -1.269 -0.072 20 H CYS 3 H CYS 3 -9.558 -0.649 3.473 21 HA CYS 3 HA CYS 3 -7.905 0.381 1.278 22 1HB CYS 3 1HB CYS 3 -7.199 -0.136 4.137 23 2HB CYS 3 2HB CYS 3 -6.033 0.254 2.861 24 H HIS 4 H HIS 4 -6.149 -0.969 0.611 25 HA HIS 4 HA HIS 4 -6.854 -3.677 0.189 26 1HB HIS 4 1HB HIS 4 -4.890 -1.855 -0.822 27 2HB HIS 4 2HB HIS 4 -4.216 -3.467 -0.522 28 HD2 HIS 4 HD2 HIS 4 -5.700 -1.747 -3.403 29 HE1 HIS 4 HE1 HIS 4 -7.158 -5.718 -3.779 30 H ASN 5 H ASN 5 -5.445 -5.476 0.773 31 HA ASN 5 HA ASN 5 -4.060 -5.152 3.340 32 1HB ASN 5 1HB ASN 5 -6.402 -6.780 2.722 33 2HB ASN 5 2HB ASN 5 -5.050 -7.770 3.298 34 1HD2 ASN 5 2HD2 ASN 5 -6.676 -7.022 6.333 35 2HD2 ASN 5 1HD2 ASN 5 -6.720 -8.032 5.036 36 H GLN 6 H GLN 6 -4.577 -7.158 0.487 37 HA GLN 6 HA GLN 6 -2.525 -8.979 0.738 38 1HB GLN 6 1HB GLN 6 -2.482 -8.861 -1.855 39 2HB GLN 6 2HB GLN 6 -3.972 -9.397 -1.060 40 1HG GLN 6 1HG GLN 6 -5.133 -7.541 -1.692 41 2HG GLN 6 2HG GLN 6 -3.733 -6.473 -1.500 42 1HE2 GLN 6 2HE2 GLN 6 -3.919 -6.179 -4.938 43 2HE2 GLN 6 1HE2 GLN 6 -4.278 -5.506 -3.480 44 H GLN 7 H GLN 7 -0.451 -9.078 -0.088 45 HA GLN 7 HA GLN 7 0.882 -6.554 -0.688 46 1HB GLN 7 1HB GLN 7 2.590 -6.840 0.911 47 2HB GLN 7 2HB GLN 7 1.034 -6.942 1.751 48 1HG GLN 7 1HG GLN 7 1.698 -8.907 2.604 49 2HG GLN 7 2HG GLN 7 1.643 -9.578 0.964 50 1HE2 GLN 7 2HE2 GLN 7 4.952 -10.133 2.498 51 2HE2 GLN 7 1HE2 GLN 7 3.395 -10.463 2.918 52 H SER 8 H SER 8 3.000 -6.876 -1.602 53 HA SER 8 HA SER 8 4.513 -7.803 -3.050 54 1HB SER 8 1HB SER 8 3.606 -10.149 -1.466 55 2HB SER 8 2HB SER 8 4.535 -10.421 -2.951 56 HG SER 8 HG SER 8 5.928 -10.328 -1.038 57 H SER 9 H SER 9 2.519 -10.613 -3.286 58 HA SER 9 HA SER 9 1.204 -9.683 -5.709 59 1HB SER 9 1HB SER 9 1.835 -11.862 -6.831 60 2HB SER 9 2HB SER 9 3.157 -10.698 -6.637 61 HG SER 9 HG SER 9 3.838 -12.907 -6.124 62 H GLN 10 H GLN 10 0.173 -10.113 -3.160 63 HA GLN 10 HA GLN 10 -1.109 -12.655 -2.979 64 1HB GLN 10 1HB GLN 10 -0.828 -10.357 -1.295 65 2HB GLN 10 2HB GLN 10 -2.520 -10.876 -1.373 66 1HG GLN 10 1HG GLN 10 -2.093 -12.680 -0.108 67 2HG GLN 10 2HG GLN 10 -0.758 -13.169 -1.166 68 1HE2 GLN 10 2HE2 GLN 10 1.650 -12.437 1.094 69 2HE2 GLN 10 1HE2 GLN 10 1.092 -13.308 -0.186 70 HA PRO 11 HA PRO 11 -4.796 -11.817 -5.164 71 1HB PRO 11 1HB PRO 11 -6.792 -12.728 -3.463 72 2HB PRO 11 2HB PRO 11 -5.769 -13.779 -4.457 73 1HG PRO 11 1HG PRO 11 -5.712 -13.325 -1.547 74 2HG PRO 11 2HG PRO 11 -5.017 -14.655 -2.490 75 1HD PRO 11 2HD PRO 11 -3.634 -12.427 -1.347 76 2HD PRO 11 1HD PRO 11 -2.960 -13.692 -2.389 77 HA PRO 12 HA PRO 12 -6.752 -8.122 -4.070 78 1HB PRO 12 1HB PRO 12 -9.317 -8.432 -5.089 79 2HB PRO 12 2HB PRO 12 -7.893 -8.045 -6.069 80 1HG PRO 12 1HG PRO 12 -9.391 -10.572 -5.869 81 2HG PRO 12 2HG PRO 12 -8.261 -10.032 -7.123 82 1HD PRO 12 2HD PRO 12 -7.761 -11.911 -5.026 83 2HD PRO 12 1HD PRO 12 -6.600 -11.284 -6.209 84 H THR 13 H THR 13 -6.917 -7.847 -1.988 85 HA THR 13 HA THR 13 -9.413 -8.575 -0.660 86 HB THR 13 HB THR 13 -8.071 -9.285 1.336 87 HG1 THR 13 HG1 THR 13 -5.696 -9.805 0.727 88 1HG2 THR 13 1HG2 THR 13 -7.457 -10.879 -1.176 89 2HG2 THR 13 2HG2 THR 13 -7.354 -11.481 0.488 90 3HG2 THR 13 3HG2 THR 13 -8.924 -11.024 -0.193 91 H THR 14 H THR 14 -10.203 -7.133 0.656 92 HA THR 14 HA THR 14 -8.605 -4.803 1.414 93 HB THR 14 HB THR 14 -11.420 -4.342 0.464 94 HG1 THR 14 HG1 THR 14 -10.592 -4.314 -1.793 95 1HG2 THR 14 3HG2 THR 14 -9.802 -2.445 1.144 96 2HG2 THR 14 1HG2 THR 14 -8.738 -2.970 -0.172 97 3HG2 THR 14 2HG2 THR 14 -10.346 -2.321 -0.537 98 H LYS 15 H LYS 15 -9.721 -3.461 3.006 99 HA LYS 15 HA LYS 15 -11.720 -4.667 4.662 100 1HB LYS 15 1HB LYS 15 -9.238 -5.627 5.158 101 2HB LYS 15 2HB LYS 15 -9.202 -4.169 6.165 102 1HG LYS 15 1HG LYS 15 -11.673 -5.193 6.769 103 2HG LYS 15 2HG LYS 15 -10.730 -6.671 6.509 104 1HD LYS 15 1HD LYS 15 -8.993 -5.732 8.082 105 2HD LYS 15 2HD LYS 15 -10.125 -4.418 8.448 106 1HE LYS 15 1HE LYS 15 -11.796 -6.411 8.921 107 2HE LYS 15 2HE LYS 15 -10.300 -7.335 9.140 108 1HZ LYS 15 1HZ LYS 15 -10.953 -4.908 10.640 109 2HZ LYS 15 2HZ LYS 15 -11.003 -6.282 11.217 110 3HZ LYS 15 3HZ LYS 15 -9.695 -5.685 10.825 111 H THR 16 H THR 16 -12.361 -3.334 6.397 112 HA THR 16 HA THR 16 -12.317 -0.557 5.617 113 HB THR 16 HB THR 16 -13.983 -2.213 7.487 114 HG1 THR 16 HG1 THR 16 -15.608 -1.353 5.937 115 1HG2 THR 16 1HG2 THR 16 -14.145 0.815 6.953 116 2HG2 THR 16 2HG2 THR 16 -15.282 -0.124 7.935 117 3HG2 THR 16 3HG2 THR 16 -13.624 0.136 8.504 118 H CYS 17 H CYS 17 -11.201 0.979 6.605 119 HA CYS 17 HA CYS 17 -9.541 0.291 8.901 120 1HB CYS 17 1HB CYS 17 -9.367 2.451 6.810 121 2HB CYS 17 2HB CYS 17 -8.473 2.566 8.337 122 H SER 18 H SER 18 -9.460 1.634 10.695 123 HA SER 18 HA SER 18 -11.876 3.246 11.132 124 1HB SER 18 1HB SER 18 -11.619 2.651 13.543 125 2HB SER 18 2HB SER 18 -12.098 1.325 12.469 126 HG SER 18 HG SER 18 -10.474 0.641 14.050 127 H GLY 19 H GLY 19 -11.609 5.230 11.968 128 1HA GLY 19 1HA GLY 19 -10.638 7.082 12.947 129 2HA GLY 19 2HA GLY 19 -9.187 6.106 13.231 130 H GLU 20 H GLU 20 -8.525 5.282 10.754 131 HA GLU 20 HA GLU 20 -7.557 7.711 9.518 132 1HB GLU 20 1HB GLU 20 -6.443 5.185 9.900 133 2HB GLU 20 2HB GLU 20 -6.842 5.217 8.174 134 1HG GLU 20 1HG GLU 20 -5.532 7.645 9.303 135 2HG GLU 20 2HG GLU 20 -4.531 6.192 9.149 136 H THR 21 H THR 21 -7.733 8.145 7.319 137 HA THR 21 HA THR 21 -9.916 6.851 5.880 138 HB THR 21 HB THR 21 -10.898 8.718 7.131 139 HG1 THR 21 HG1 THR 21 -11.848 9.691 5.148 140 1HG2 THR 21 3HG2 THR 21 -8.861 10.303 7.006 141 2HG2 THR 21 1HG2 THR 21 -9.139 10.417 5.260 142 3HG2 THR 21 2HG2 THR 21 -10.350 11.041 6.393 143 H ASN 22 H ASN 22 -7.150 6.607 5.485 144 HA ASN 22 HA ASN 22 -6.928 7.561 2.759 145 1HB ASN 22 1HB ASN 22 -4.747 8.039 4.816 146 2HB ASN 22 2HB ASN 22 -4.637 8.380 3.080 147 1HD2 ASN 22 2HD2 ASN 22 -7.029 10.634 5.530 148 2HD2 ASN 22 1HD2 ASN 22 -6.682 9.064 5.880 149 H CYS 23 H CYS 23 -5.477 6.300 1.549 150 HA CYS 23 HA CYS 23 -4.252 3.982 2.825 151 1HB CYS 23 1HB CYS 23 -5.696 3.650 0.215 152 2HB CYS 23 2HB CYS 23 -5.189 2.417 1.383 153 OH TYR 24 OH TYR 24 2.393 1.732 5.211 154 H TYR 24 H TYR 24 -2.404 3.311 1.895 155 HA TYR 24 HA TYR 24 -1.428 4.696 -0.481 156 1HB TYR 24 1HB TYR 24 0.552 5.385 0.689 157 2HB TYR 24 2HB TYR 24 -0.759 5.712 1.835 158 HD1 TYR 24 HD1 TYR 24 2.049 3.449 1.037 159 HD2 TYR 24 HD2 TYR 24 -0.922 4.524 3.908 160 HE1 TYR 24 HE1 TYR 24 3.208 2.016 2.783 161 HE2 TYR 24 HE2 TYR 24 0.246 3.088 5.643 162 HH TYR 24 HH TYR 24 1.847 1.786 6.148 163 H LYS 25 H LYS 25 0.376 3.653 -1.466 164 HA LYS 25 HA LYS 25 0.757 0.839 -0.737 165 1HB LYS 25 1HB LYS 25 1.053 0.584 -3.334 166 2HB LYS 25 2HB LYS 25 -0.572 0.587 -2.630 167 1HG LYS 25 1HG LYS 25 -0.637 3.086 -3.080 168 2HG LYS 25 2HG LYS 25 0.854 2.875 -4.016 169 1HD LYS 25 1HD LYS 25 -1.044 0.888 -4.847 170 2HD LYS 25 2HD LYS 25 -1.834 2.474 -4.870 171 1HE LYS 25 1HE LYS 25 0.742 1.696 -6.273 172 2HE LYS 25 2HE LYS 25 -0.809 2.093 -7.032 173 1HZ LYS 25 3HZ LYS 25 -0.503 4.341 -6.152 174 2HZ LYS 25 1HZ LYS 25 0.803 4.007 -5.512 175 3HZ LYS 25 2HZ LYS 25 0.680 4.016 -6.999 176 H LYS 26 H LYS 26 2.722 -0.054 -1.131 177 HA LYS 26 HA LYS 26 4.918 1.715 -1.866 178 1HB LYS 26 1HB LYS 26 6.172 0.849 0.171 179 2HB LYS 26 2HB LYS 26 5.022 2.187 0.337 180 1HG LYS 26 1HG LYS 26 3.361 0.773 1.290 181 2HG LYS 26 2HG LYS 26 4.235 -0.696 0.816 182 1HD LYS 26 1HD LYS 26 5.443 1.323 2.713 183 2HD LYS 26 2HD LYS 26 4.371 0.035 3.289 184 1HE LYS 26 1HE LYS 26 5.865 -1.666 2.630 185 2HE LYS 26 2HE LYS 26 6.758 -0.586 1.547 186 1HZ LYS 26 1HZ LYS 26 6.821 -0.386 4.467 187 2HZ LYS 26 2HZ LYS 26 7.945 -0.918 3.644 188 3HZ LYS 26 3HZ LYS 26 7.573 0.523 3.555 189 CH2 TRP 27 CH2 TRP 27 4.141 3.110 -6.115 190 H TRP 27 H TRP 27 6.539 0.646 -2.859 191 HA TRP 27 HA TRP 27 6.819 -2.220 -2.732 192 1HB TRP 27 1HB TRP 27 6.628 -2.555 -5.138 193 2HB TRP 27 2HB TRP 27 5.106 -1.939 -4.472 194 HD1 TRP 27 HD1 TRP 27 7.581 -1.218 -7.178 195 HE1 TRP 27 HE1 TRP 27 7.016 0.991 -8.334 196 HE3 TRP 27 HE3 TRP 27 4.167 0.509 -3.843 197 HZ2 TRP 27 HZ2 TRP 27 5.335 3.233 -7.931 198 HZ3 TRP 27 HZ3 TRP 27 3.112 2.719 -4.300 199 HH2 TRP 27 HH2 TRP 27 3.647 4.065 -6.260 200 CH2 TRP 28 CH2 TRP 28 9.306 -4.200 1.599 201 H TRP 28 H TRP 28 8.767 -2.924 -3.736 202 HA TRP 28 HA TRP 28 10.735 -1.032 -4.613 203 1HB TRP 28 1HB TRP 28 12.217 -1.055 -2.866 204 2HB TRP 28 2HB TRP 28 10.636 -0.722 -2.137 205 HD1 TRP 28 HD1 TRP 28 13.294 -3.515 -2.317 206 HE1 TRP 28 HE1 TRP 28 12.886 -5.150 -0.394 207 HE3 TRP 28 HE3 TRP 28 8.916 -1.585 -0.624 208 HZ2 TRP 28 HZ2 TRP 28 10.959 -5.616 1.627 209 HZ3 TRP 28 HZ3 TRP 28 7.837 -2.690 1.331 210 HH2 TRP 28 HH2 TRP 28 8.790 -4.638 2.446 211 H SER 29 H SER 29 12.097 -2.096 -5.900 212 HA SER 29 HA SER 29 11.867 -4.969 -6.177 213 1HB SER 29 1HB SER 29 13.700 -3.311 -7.871 214 2HB SER 29 2HB SER 29 12.753 -4.745 -8.303 215 HG SER 29 HG SER 29 11.917 -2.786 -9.338 216 H ASP 30 H ASP 30 13.356 -6.385 -5.646 217 HA ASP 30 HA ASP 30 15.726 -5.450 -4.217 218 1HB ASP 30 1HB ASP 30 15.861 -7.935 -3.588 219 2HB ASP 30 2HB ASP 30 14.567 -6.968 -2.860 220 H HIS 31 H HIS 31 17.291 -7.664 -4.440 221 HA HIS 31 HA HIS 31 18.837 -7.308 -6.650 222 1HB HIS 31 1HB HIS 31 18.577 -9.455 -4.689 223 2HB HIS 31 2HB HIS 31 19.369 -9.865 -6.219 224 HD2 HIS 31 HD2 HIS 31 19.891 -6.403 -4.391 225 HE1 HIS 31 HE1 HIS 31 23.583 -8.497 -4.453 226 NH1 ARG 32 NH2 ARG 32 18.294 -13.111 -12.887 227 NH2 ARG 32 NH1 ARG 32 16.512 -12.215 -14.069 228 H ARG 32 H ARG 32 16.703 -10.110 -6.255 229 HA ARG 32 HA ARG 32 15.949 -9.930 -9.075 230 1HB ARG 32 1HB ARG 32 17.631 -11.659 -9.016 231 2HB ARG 32 2HB ARG 32 16.879 -12.411 -7.599 232 1HG ARG 32 1HG ARG 32 15.351 -13.508 -8.850 233 2HG ARG 32 2HG ARG 32 15.039 -12.092 -9.869 234 1HD ARG 32 1HD ARG 32 17.688 -13.109 -10.406 235 2HD ARG 32 2HD ARG 32 16.504 -14.420 -10.548 236 HE ARG 32 HE ARG 32 15.305 -12.516 -11.951 237 1HH1 ARG 32 1HH2 ARG 32 18.642 -13.466 -12.078 238 2HH1 ARG 32 2HH2 ARG 32 18.852 -13.038 -13.653 239 1HH2 ARG 32 1HH1 ARG 32 15.605 -11.935 -14.105 240 2HH2 ARG 32 2HH1 ARG 32 17.063 -12.139 -14.838 241 H GLY 33 H GLY 33 14.291 -8.887 -7.402 242 1HA GLY 33 1HA GLY 33 11.939 -10.431 -7.603 243 2HA GLY 33 2HA GLY 33 12.508 -10.372 -5.925 244 H THR 34 H THR 34 10.285 -9.307 -5.887 245 HA THR 34 HA THR 34 10.637 -6.466 -5.611 246 HB THR 34 HB THR 34 8.735 -7.676 -7.668 247 HG1 THR 34 HG1 THR 34 9.995 -6.170 -9.057 248 1HG2 THR 34 3HG2 THR 34 7.678 -5.702 -6.379 249 2HG2 THR 34 1HG2 THR 34 9.105 -4.743 -6.810 250 3HG2 THR 34 2HG2 THR 34 8.011 -5.322 -8.077 251 H ILE 35 H ILE 35 9.884 -5.974 -3.772 252 HA ILE 35 HA ILE 35 7.708 -7.543 -2.602 253 HB ILE 35 HB ILE 35 9.722 -5.704 -1.262 254 1HG1 ILE 35 1HG1 ILE 35 10.647 -7.868 -2.160 255 2HG1 ILE 35 2HG1 ILE 35 10.760 -7.698 -0.400 256 1HG2 ILE 35 3HG2 ILE 35 7.648 -5.625 -0.098 257 2HG2 ILE 35 1HG2 ILE 35 7.579 -7.394 -0.029 258 3HG2 ILE 35 2HG2 ILE 35 8.854 -6.522 0.838 259 1HD1 ILE 35 1HD1 ILE 35 8.619 -9.253 -1.895 260 2HD1 ILE 35 2HD1 ILE 35 9.991 -9.958 -1.024 261 3HD1 ILE 35 3HD1 ILE 35 8.732 -9.083 -0.135 262 H ILE 36 H ILE 36 5.851 -6.729 -2.070 263 HA ILE 36 HA ILE 36 5.392 -3.861 -2.391 264 HB ILE 36 HB ILE 36 3.634 -6.048 -3.555 265 1HG1 ILE 36 1HG1 ILE 36 4.482 -4.225 -5.540 266 2HG1 ILE 36 2HG1 ILE 36 5.936 -4.668 -4.629 267 1HG2 ILE 36 3HG2 ILE 36 2.304 -4.254 -2.728 268 2HG2 ILE 36 1HG2 ILE 36 3.284 -3.073 -3.615 269 3HG2 ILE 36 2HG2 ILE 36 2.311 -4.260 -4.500 270 1HD1 ILE 36 1HD1 ILE 36 3.965 -6.618 -5.875 271 2HD1 ILE 36 2HD1 ILE 36 5.567 -6.216 -6.515 272 3HD1 ILE 36 3HD1 ILE 36 5.418 -7.060 -4.965 273 H GLU 37 H GLU 37 3.733 -3.002 -1.227 274 HA GLU 37 HA GLU 37 2.247 -4.567 0.653 275 1HB GLU 37 1HB GLU 37 4.811 -3.691 1.444 276 2HB GLU 37 2HB GLU 37 3.662 -2.580 2.210 277 1HG GLU 37 1HG GLU 37 3.057 -5.508 2.308 278 2HG GLU 37 2HG GLU 37 4.350 -4.892 3.350 279 NH1 ARG 38 NH2 ARG 38 1.949 -1.452 -3.035 280 NH2 ARG 38 NH1 ARG 38 1.294 -1.949 -5.202 281 H ARG 38 H ARG 38 0.535 -3.539 1.465 282 HA ARG 38 HA ARG 38 0.168 -0.703 0.883 283 1HB ARG 38 1HB ARG 38 -1.699 -2.944 0.059 284 2HB ARG 38 2HB ARG 38 -2.194 -1.245 0.144 285 1HG ARG 38 1HG ARG 38 -1.559 -1.282 -2.053 286 2HG ARG 38 2HG ARG 38 0.032 -0.962 -1.342 287 1HD ARG 38 1HD ARG 38 0.652 -3.279 -1.487 288 2HD ARG 38 2HD ARG 38 -1.001 -3.756 -1.912 289 HE ARG 38 HE ARG 38 -0.505 -3.195 -4.087 290 1HH1 ARG 38 1HH2 ARG 38 1.809 -1.535 -2.099 291 2HH1 ARG 38 2HH2 ARG 38 2.681 -0.943 -3.363 292 1HH2 ARG 38 1HH1 ARG 38 0.697 -2.378 -5.804 293 2HH2 ARG 38 2HH1 ARG 38 2.024 -1.440 -5.536 294 H GLY 39 H GLY 39 -1.559 0.248 2.077 295 1HA GLY 39 1HA GLY 39 -3.091 -0.964 4.049 296 2HA GLY 39 2HA GLY 39 -1.573 -0.429 4.791 297 H CYS 40 H CYS 40 -3.418 0.804 5.931 298 HA CYS 40 HA CYS 40 -4.337 3.187 4.559 299 1HB CYS 40 1HB CYS 40 -4.938 1.984 7.206 300 2HB CYS 40 2HB CYS 40 -5.295 3.687 6.874 301 H GLY 41 H GLY 41 -3.999 5.264 5.759 302 1HA GLY 41 1HA GLY 41 -2.732 6.732 7.093 303 2HA GLY 41 2HA GLY 41 -1.509 5.459 7.247 304 H CYS 42 H CYS 42 -0.044 7.220 6.698 305 HA CYS 42 HA CYS 42 0.648 7.203 3.915 306 1HB CYS 42 1HB CYS 42 -1.030 8.951 3.931 307 2HB CYS 42 2HB CYS 42 -0.079 9.836 5.138 308 HA PRO 43 HA PRO 43 4.135 7.409 6.784 309 1HB PRO 43 1HB PRO 43 5.689 5.571 5.395 310 2HB PRO 43 2HB PRO 43 4.587 5.177 6.725 311 1HG PRO 43 1HG PRO 43 4.279 4.690 3.837 312 2HG PRO 43 2HG PRO 43 3.426 3.942 5.199 313 1HD PRO 43 2HD PRO 43 2.443 5.966 3.435 314 2HD PRO 43 1HD PRO 43 1.637 5.302 4.867 315 H LYS 44 H LYS 44 6.551 7.701 6.186 316 HA LYS 44 HA LYS 44 6.689 9.829 4.225 317 1HB LYS 44 1HB LYS 44 8.258 9.000 6.601 318 2HB LYS 44 2HB LYS 44 9.204 9.669 5.259 319 1HG LYS 44 1HG LYS 44 8.615 11.727 5.921 320 2HG LYS 44 2HG LYS 44 6.928 11.332 5.545 321 1HD LYS 44 1HD LYS 44 7.775 10.182 8.090 322 2HD LYS 44 2HD LYS 44 7.967 11.943 8.063 323 1HE LYS 44 1HE LYS 44 5.495 11.610 6.892 324 2HE LYS 44 2HE LYS 44 5.515 10.312 8.099 325 1HZ LYS 44 1HZ LYS 44 6.015 13.127 8.723 326 2HZ LYS 44 2HZ LYS 44 4.753 12.409 9.067 327 3HZ LYS 44 3HZ LYS 44 6.032 12.034 9.738 328 H VAL 45 H VAL 45 7.592 9.772 2.355 329 HA VAL 45 HA VAL 45 8.277 7.235 1.205 330 HB VAL 45 HB VAL 45 6.925 8.754 -0.053 331 1HG1 VAL 45 3HG1 VAL 45 7.670 10.854 0.846 332 2HG1 VAL 45 1HG1 VAL 45 9.244 10.665 0.057 333 3HG1 VAL 45 2HG1 VAL 45 7.780 10.854 -0.922 334 1HG2 VAL 45 3HG2 VAL 45 9.705 8.450 -1.246 335 2HG2 VAL 45 1HG2 VAL 45 8.425 7.227 -1.287 336 3HG2 VAL 45 2HG2 VAL 45 8.217 8.758 -2.156 337 H LYS 46 H LYS 46 10.212 6.455 1.702 338 HA LYS 46 HA LYS 46 12.520 8.185 2.050 339 1HB LYS 46 1HB LYS 46 12.093 5.216 2.509 340 2HB LYS 46 2HB LYS 46 13.657 6.026 2.706 341 1HG LYS 46 1HG LYS 46 12.224 7.657 4.239 342 2HG LYS 46 2HG LYS 46 11.174 6.236 4.368 343 1HD LYS 46 1HD LYS 46 12.559 5.370 5.903 344 2HD LYS 46 2HD LYS 46 13.858 5.340 4.696 345 1HE LYS 46 1HE LYS 46 13.288 7.978 5.948 346 2HE LYS 46 2HE LYS 46 14.007 6.749 7.003 347 1HZ LYS 46 3HZ LYS 46 15.783 6.570 5.349 348 2HZ LYS 46 1HZ LYS 46 15.179 7.604 4.460 349 3HZ LYS 46 2HZ LYS 46 15.715 7.991 5.796 350 HA PRO 47 HA PRO 47 14.178 7.577 -1.853 351 1HB PRO 47 1HB PRO 47 16.893 7.675 -1.285 352 2HB PRO 47 2HB PRO 47 15.845 9.099 -1.403 353 1HG PRO 47 1HG PRO 47 17.019 7.837 0.985 354 2HG PRO 47 2HG PRO 47 16.345 9.464 0.791 355 1HD PRO 47 2HD PRO 47 15.115 7.213 2.056 356 2HD PRO 47 1HD PRO 47 14.398 8.806 1.759 357 H GLY 48 H GLY 48 14.323 5.897 -3.070 358 1HA GLY 48 1HA GLY 48 15.494 3.952 -3.856 359 2HA GLY 48 2HA GLY 48 15.791 3.533 -2.161 360 H VAL 49 H VAL 49 13.099 4.170 -1.334 361 HA VAL 49 HA VAL 49 11.707 1.810 -2.373 362 HB VAL 49 HB VAL 49 11.434 3.287 0.267 363 1HG1 VAL 49 3HG1 VAL 49 9.262 2.547 -0.446 364 2HG1 VAL 49 1HG1 VAL 49 9.881 0.911 -0.726 365 3HG1 VAL 49 2HG1 VAL 49 9.839 1.573 0.917 366 1HG2 VAL 49 3HG2 VAL 49 12.434 0.491 -0.382 367 2HG2 VAL 49 1HG2 VAL 49 13.443 1.857 0.117 368 3HG2 VAL 49 2HG2 VAL 49 12.257 1.175 1.242 369 H ASN 50 H ASN 50 9.798 1.933 -3.267 370 HA ASN 50 HA ASN 50 8.846 4.541 -4.067 371 1HB ASN 50 1HB ASN 50 7.854 1.776 -4.829 372 2HB ASN 50 2HB ASN 50 7.319 3.305 -5.547 373 1HD2 ASN 50 2HD2 ASN 50 10.055 1.472 -7.427 374 2HD2 ASN 50 1HD2 ASN 50 8.717 0.921 -6.644 375 H LEU 51 H LEU 51 7.058 5.449 -3.252 376 HA LEU 51 HA LEU 51 4.984 3.953 -1.929 377 1HB LEU 51 1HB LEU 51 6.214 4.161 0.014 378 2HB LEU 51 2HB LEU 51 6.933 5.703 -0.483 379 HG LEU 51 HG LEU 51 4.517 6.629 -0.169 380 1HD1 LEU 51 3HD1 LEU 51 3.365 4.553 0.020 381 2HD1 LEU 51 1HD1 LEU 51 4.305 4.123 1.460 382 3HD1 LEU 51 2HD1 LEU 51 3.193 5.501 1.508 383 1HD2 LEU 51 3HD2 LEU 51 6.217 5.796 2.210 384 2HD2 LEU 51 1HD2 LEU 51 6.452 7.254 1.233 385 3HD2 LEU 51 2HD2 LEU 51 4.987 7.071 2.212 386 H ASN 52 H ASN 52 3.081 4.851 -2.038 387 HA ASN 52 HA ASN 52 2.842 7.598 -2.993 388 1HB ASN 52 1HB ASN 52 2.733 6.044 -4.959 389 2HB ASN 52 2HB ASN 52 1.328 5.266 -4.209 390 1HD2 ASN 52 2HD2 ASN 52 0.805 8.310 -6.580 391 2HD2 ASN 52 1HD2 ASN 52 2.072 7.260 -6.550 392 H CYS 53 H CYS 53 1.125 8.622 -2.115 393 HA CYS 53 HA CYS 53 -0.696 7.094 -0.400 394 1HB CYS 53 1HB CYS 53 0.328 9.924 -0.136 395 2HB CYS 53 2HB CYS 53 -1.031 9.283 0.802 396 H CYS 54 H CYS 54 -2.841 7.487 -0.520 397 HA CYS 54 HA CYS 54 -3.933 9.454 -2.305 398 1HB CYS 54 1HB CYS 54 -5.311 7.484 -3.384 399 2HB CYS 54 2HB CYS 54 -3.750 7.991 -4.051 400 NH1 ARG 55 NH2 ARG 55 -5.444 14.909 1.380 401 NH2 ARG 55 NH1 ARG 55 -6.140 14.524 3.558 402 H ARG 55 H ARG 55 -6.273 9.468 -2.192 403 HA ARG 55 HA ARG 55 -7.227 8.540 0.422 404 1HB ARG 55 1HB ARG 55 -8.242 10.924 -1.129 405 2HB ARG 55 2HB ARG 55 -8.687 10.439 0.516 406 1HG ARG 55 1HG ARG 55 -6.457 10.898 1.323 407 2HG ARG 55 2HG ARG 55 -5.870 11.185 -0.324 408 1HD ARG 55 1HD ARG 55 -6.441 13.349 -0.160 409 2HD ARG 55 2HD ARG 55 -8.127 12.892 0.140 410 HE ARG 55 HE ARG 55 -7.472 12.734 2.531 411 1HH1 ARG 55 1HH2 ARG 55 -5.479 14.681 0.458 412 2HH1 ARG 55 2HH2 ARG 55 -4.891 15.624 1.672 413 1HH2 ARG 55 1HH1 ARG 55 -6.661 14.032 4.181 414 2HH2 ARG 55 2HH1 ARG 55 -5.589 15.239 3.857 415 H THR 56 H THR 56 -7.309 7.320 -2.349 416 HA THR 56 HA THR 56 -10.186 7.141 -2.803 417 HB THR 56 HB THR 56 -9.132 5.778 -4.865 418 HG1 THR 56 HG1 THR 56 -7.060 6.882 -5.383 419 1HG2 THR 56 1HG2 THR 56 -8.912 8.837 -4.587 420 2HG2 THR 56 2HG2 THR 56 -9.051 7.943 -6.111 421 3HG2 THR 56 3HG2 THR 56 -10.426 8.012 -4.996 422 H ASP 57 H ASP 57 -11.243 5.193 -2.735 423 HA ASP 57 HA ASP 57 -10.461 3.297 -0.828 424 1HB ASP 57 1HB ASP 57 -12.761 3.803 -2.455 425 2HB ASP 57 2HB ASP 57 -12.305 2.100 -2.636 426 NH1 ARG 58 NH2 ARG 58 -12.013 -3.806 -4.391 427 NH2 ARG 58 NH1 ARG 58 -11.210 -5.617 -3.188 428 H ARG 58 H ARG 58 -9.390 1.431 -1.036 429 HA ARG 58 HA ARG 58 -7.894 -0.086 -1.882 430 1HB ARG 58 1HB ARG 58 -10.195 -0.890 -2.705 431 2HB ARG 58 2HB ARG 58 -9.753 -0.175 -4.265 432 1HG ARG 58 1HG ARG 58 -7.637 -1.573 -4.179 433 2HG ARG 58 2HG ARG 58 -8.340 -2.408 -2.783 434 1HD ARG 58 1HD ARG 58 -10.249 -2.269 -4.967 435 2HD ARG 58 2HD ARG 58 -8.735 -3.022 -5.501 436 HE ARG 58 HE ARG 58 -9.031 -4.538 -3.535 437 1HH1 ARG 58 1HH2 ARG 58 -11.846 -2.995 -4.857 438 2HH1 ARG 58 2HH2 ARG 58 -12.901 -4.136 -4.315 439 1HH2 ARG 58 1HH1 ARG 58 -10.483 -6.093 -2.802 440 2HH2 ARG 58 2HH1 ARG 58 -12.095 -5.954 -3.109 441 H CYS 59 H CYS 59 -7.464 2.697 -2.531 442 HA CYS 59 HA CYS 59 -6.597 2.968 -5.226 443 1HB CYS 59 1HB CYS 59 -5.772 5.049 -4.693 444 2HB CYS 59 2HB CYS 59 -7.265 4.854 -3.759 445 H ASN 60 H ASN 60 -5.336 1.638 -2.333 446 HA ASN 60 HA ASN 60 -2.579 1.612 -3.245 447 1HB ASN 60 1HB ASN 60 -2.249 0.295 -1.073 448 2HB ASN 60 2HB ASN 60 -2.747 1.987 -0.900 449 1HD2 ASN 60 2HD2 ASN 60 -4.803 0.284 1.454 450 2HD2 ASN 60 1HD2 ASN 60 -3.254 0.795 1.239 451 H ASN 61 H ASN 61 -2.898 0.269 -5.061 452 HA ASN 61 HA ASN 61 -2.861 -2.567 -4.464 453 1HB ASN 61 1HB ASN 61 -4.540 -3.173 -6.046 454 2HB ASN 61 2HB ASN 61 -5.264 -1.906 -5.039 455 1HD2 ASN 61 2HD2 ASN 61 -5.608 -1.493 -8.814 456 2HD2 ASN 61 1HD2 ASN 61 -5.643 -2.846 -7.877 Start of MODEL 8 Raw file had 456 H/Q atoms Start of MODEL 8 1 1H LEU 1 1H LEU 1 -13.912 3.261 5.963 2 2H LEU 1 2H LEU 1 -14.618 4.314 5.176 3 3H LEU 1 3H LEU 1 -14.905 2.873 4.920 4 HA LEU 1 HA LEU 1 -13.536 3.694 3.111 5 1HB LEU 1 1HB LEU 1 -12.607 5.347 4.879 6 2HB LEU 1 2HB LEU 1 -11.329 4.124 4.997 7 HG LEU 1 HG LEU 1 -11.980 4.872 2.242 8 1HD1 LEU 1 3HD1 LEU 1 -12.339 7.073 3.303 9 2HD1 LEU 1 1HD1 LEU 1 -10.769 6.939 4.112 10 3HD1 LEU 1 2HD1 LEU 1 -10.847 7.062 2.347 11 1HD2 LEU 1 3HD2 LEU 1 -9.413 4.690 3.775 12 2HD2 LEU 1 1HD2 LEU 1 -10.149 3.441 2.756 13 3HD2 LEU 1 2HD2 LEU 1 -9.575 4.951 2.029 14 H GLU 2 H GLU 2 -12.947 1.912 2.109 15 HA GLU 2 HA GLU 2 -11.803 -0.323 3.618 16 1HB GLU 2 1HB GLU 2 -14.032 -0.401 2.092 17 2HB GLU 2 2HB GLU 2 -12.815 -0.756 0.855 18 1HG GLU 2 1HG GLU 2 -12.006 -2.656 2.087 19 2HG GLU 2 2HG GLU 2 -12.984 -2.227 3.500 20 H CYS 3 H CYS 3 -9.741 -0.450 3.501 21 HA CYS 3 HA CYS 3 -8.330 0.378 1.066 22 1HB CYS 3 1HB CYS 3 -7.349 0.166 3.884 23 2HB CYS 3 2HB CYS 3 -6.313 0.434 2.472 24 H HIS 4 H HIS 4 -6.723 -1.020 0.268 25 HA HIS 4 HA HIS 4 -7.356 -3.790 0.376 26 1HB HIS 4 1HB HIS 4 -5.410 -2.084 -1.104 27 2HB HIS 4 2HB HIS 4 -5.029 -3.806 -0.938 28 HD2 HIS 4 HD2 HIS 4 -6.611 -1.707 -3.501 29 HE1 HIS 4 HE1 HIS 4 -8.861 -5.305 -3.659 30 H ASN 5 H ASN 5 -5.933 -5.471 0.933 31 HA ASN 5 HA ASN 5 -4.160 -4.807 3.179 32 1HB ASN 5 1HB ASN 5 -4.838 -7.222 3.934 33 2HB ASN 5 2HB ASN 5 -5.927 -5.867 4.280 34 1HD2 ASN 5 2HD2 ASN 5 -8.405 -7.911 3.039 35 2HD2 ASN 5 1HD2 ASN 5 -7.680 -7.264 4.368 36 H GLN 6 H GLN 6 -4.914 -6.973 0.527 37 HA GLN 6 HA GLN 6 -3.129 -8.934 0.496 38 1HB GLN 6 1HB GLN 6 -2.746 -8.130 -2.043 39 2HB GLN 6 2HB GLN 6 -4.150 -9.043 -1.464 40 1HG GLN 6 1HG GLN 6 -5.529 -7.164 -1.444 41 2HG GLN 6 2HG GLN 6 -4.165 -6.039 -1.330 42 1HE2 GLN 6 2HE2 GLN 6 -5.809 -6.211 -4.724 43 2HE2 GLN 6 1HE2 GLN 6 -6.429 -6.183 -3.200 44 H GLN 7 H GLN 7 -0.971 -9.224 0.127 45 HA GLN 7 HA GLN 7 0.742 -6.840 0.110 46 1HB GLN 7 1HB GLN 7 0.832 -7.769 2.299 47 2HB GLN 7 2HB GLN 7 1.161 -9.386 1.652 48 1HG GLN 7 1HG GLN 7 3.051 -7.443 0.607 49 2HG GLN 7 2HG GLN 7 3.051 -7.442 2.380 50 1HE2 GLN 7 2HE2 GLN 7 5.278 -10.020 2.335 51 2HE2 GLN 7 1HE2 GLN 7 4.905 -8.475 2.762 52 H SER 8 H SER 8 2.552 -6.933 -1.148 53 HA SER 8 HA SER 8 3.955 -7.527 -2.858 54 1HB SER 8 1HB SER 8 3.272 -10.121 -1.608 55 2HB SER 8 2HB SER 8 3.975 -10.150 -3.234 56 HG SER 8 HG SER 8 5.629 -10.324 -1.550 57 H SER 9 H SER 9 2.078 -10.336 -3.493 58 HA SER 9 HA SER 9 0.576 -9.015 -5.622 59 1HB SER 9 1HB SER 9 1.076 -11.012 -7.086 60 2HB SER 9 2HB SER 9 2.448 -9.927 -6.799 61 HG SER 9 HG SER 9 3.075 -12.206 -6.660 62 H GLN 10 H GLN 10 -0.210 -9.902 -3.035 63 HA GLN 10 HA GLN 10 -1.515 -12.381 -3.034 64 1HB GLN 10 1HB GLN 10 -1.296 -10.162 -1.259 65 2HB GLN 10 2HB GLN 10 -2.989 -10.671 -1.383 66 1HG GLN 10 1HG GLN 10 -2.575 -12.484 -0.135 67 2HG GLN 10 2HG GLN 10 -1.304 -13.001 -1.255 68 1HE2 GLN 10 2HE2 GLN 10 -0.372 -11.934 2.377 69 2HE2 GLN 10 1HE2 GLN 10 -1.825 -12.482 1.833 70 HA PRO 11 HA PRO 11 -5.238 -11.639 -5.140 71 1HB PRO 11 1HB PRO 11 -7.245 -12.460 -3.400 72 2HB PRO 11 2HB PRO 11 -6.233 -13.541 -4.374 73 1HG PRO 11 1HG PRO 11 -6.148 -13.008 -1.479 74 2HG PRO 11 2HG PRO 11 -5.464 -14.364 -2.392 75 1HD PRO 11 2HD PRO 11 -4.067 -12.110 -1.323 76 2HD PRO 11 1HD PRO 11 -3.406 -13.406 -2.335 77 HA PRO 12 HA PRO 12 -7.214 -7.881 -4.135 78 1HB PRO 12 1HB PRO 12 -9.799 -8.226 -5.088 79 2HB PRO 12 2HB PRO 12 -8.396 -7.871 -6.109 80 1HG PRO 12 1HG PRO 12 -9.887 -10.392 -5.794 81 2HG PRO 12 2HG PRO 12 -8.786 -9.894 -7.089 82 1HD PRO 12 2HD PRO 12 -8.236 -11.701 -4.942 83 2HD PRO 12 1HD PRO 12 -7.102 -11.112 -6.169 84 H THR 13 H THR 13 -7.043 -8.163 -1.908 85 HA THR 13 HA THR 13 -9.556 -8.795 -0.531 86 HB THR 13 HB THR 13 -8.008 -9.171 1.446 87 HG1 THR 13 HG1 THR 13 -5.751 -9.821 0.569 88 1HG2 THR 13 3HG2 THR 13 -9.097 -11.027 0.242 89 2HG2 THR 13 1HG2 THR 13 -7.782 -11.027 -0.946 90 3HG2 THR 13 2HG2 THR 13 -7.453 -11.461 0.740 91 H THR 14 H THR 14 -10.373 -7.330 0.866 92 HA THR 14 HA THR 14 -8.938 -4.824 1.359 93 HB THR 14 HB THR 14 -11.862 -4.645 0.912 94 HG1 THR 14 HG1 THR 14 -11.366 -4.654 -1.544 95 1HG2 THR 14 1HG2 THR 14 -9.523 -3.039 -0.173 96 2HG2 THR 14 2HG2 THR 14 -11.237 -2.619 -0.338 97 3HG2 THR 14 3HG2 THR 14 -10.477 -2.634 1.263 98 H LYS 15 H LYS 15 -10.001 -3.537 3.052 99 HA LYS 15 HA LYS 15 -11.584 -4.878 5.019 100 1HB LYS 15 1HB LYS 15 -10.034 -5.120 6.750 101 2HB LYS 15 2HB LYS 15 -9.431 -5.980 5.324 102 1HG LYS 15 1HG LYS 15 -7.626 -4.623 5.112 103 2HG LYS 15 2HG LYS 15 -8.545 -3.169 5.539 104 1HD LYS 15 1HD LYS 15 -8.466 -4.663 7.902 105 2HD LYS 15 2HD LYS 15 -6.846 -4.849 7.209 106 1HE LYS 15 1HE LYS 15 -7.127 -2.213 6.836 107 2HE LYS 15 2HE LYS 15 -8.223 -2.395 8.215 108 1HZ LYS 15 3HZ LYS 15 -6.344 -3.393 9.398 109 2HZ LYS 15 1HZ LYS 15 -5.421 -3.239 8.236 110 3HZ LYS 15 2HZ LYS 15 -5.932 -2.032 8.947 111 H THR 16 H THR 16 -12.391 -3.436 6.492 112 HA THR 16 HA THR 16 -12.279 -0.661 5.817 113 HB THR 16 HB THR 16 -13.878 -2.332 7.730 114 HG1 THR 16 HG1 THR 16 -15.560 -1.410 6.283 115 1HG2 THR 16 3HG2 THR 16 -13.438 -0.019 8.795 116 2HG2 THR 16 1HG2 THR 16 -14.022 0.711 7.291 117 3HG2 THR 16 2HG2 THR 16 -15.124 -0.242 8.298 118 H CYS 17 H CYS 17 -11.024 0.815 6.701 119 HA CYS 17 HA CYS 17 -9.258 0.110 8.896 120 1HB CYS 17 1HB CYS 17 -9.272 2.584 7.157 121 2HB CYS 17 2HB CYS 17 -8.043 2.153 8.358 122 H SER 18 H SER 18 -8.879 1.862 10.509 123 HA SER 18 HA SER 18 -11.382 3.189 11.271 124 1HB SER 18 1HB SER 18 -10.871 2.664 13.629 125 2HB SER 18 2HB SER 18 -11.265 1.249 12.637 126 HG SER 18 HG SER 18 -9.451 0.828 14.100 127 H GLY 19 H GLY 19 -11.152 5.208 12.020 128 1HA GLY 19 1HA GLY 19 -10.230 7.189 12.731 129 2HA GLY 19 2HA GLY 19 -8.738 6.293 13.067 130 H GLU 20 H GLU 20 -8.046 5.306 10.680 131 HA GLU 20 HA GLU 20 -7.257 7.668 9.200 132 1HB GLU 20 1HB GLU 20 -5.588 5.887 9.838 133 2HB GLU 20 2HB GLU 20 -6.424 4.793 8.721 134 1HG GLU 20 1HG GLU 20 -4.368 6.024 7.809 135 2HG GLU 20 2HG GLU 20 -5.845 6.103 6.833 136 H THR 21 H THR 21 -7.796 8.147 7.194 137 HA THR 21 HA THR 21 -9.729 6.423 5.816 138 HB THR 21 HB THR 21 -10.937 8.497 5.151 139 HG1 THR 21 HG1 THR 21 -10.309 10.468 6.378 140 1HG2 THR 21 3HG2 THR 21 -11.592 7.276 7.334 141 2HG2 THR 21 1HG2 THR 21 -10.448 8.326 8.186 142 3HG2 THR 21 2HG2 THR 21 -11.879 9.022 7.405 143 H ASN 22 H ASN 22 -7.009 6.355 5.329 144 HA ASN 22 HA ASN 22 -6.898 7.257 2.566 145 1HB ASN 22 1HB ASN 22 -4.689 7.795 4.584 146 2HB ASN 22 2HB ASN 22 -4.596 8.096 2.840 147 1HD2 ASN 22 2HD2 ASN 22 -7.028 10.374 5.230 148 2HD2 ASN 22 1HD2 ASN 22 -6.687 8.809 5.604 149 H CYS 23 H CYS 23 -5.194 6.157 1.399 150 HA CYS 23 HA CYS 23 -4.055 3.783 2.631 151 1HB CYS 23 1HB CYS 23 -5.237 3.402 -0.066 152 2HB CYS 23 2HB CYS 23 -5.023 2.246 1.259 153 OH TYR 24 OH TYR 24 2.144 1.519 5.454 154 H TYR 24 H TYR 24 -2.164 3.163 1.757 155 HA TYR 24 HA TYR 24 -1.101 4.650 -0.519 156 1HB TYR 24 1HB TYR 24 0.877 5.209 0.769 157 2HB TYR 24 2HB TYR 24 -0.506 5.616 1.799 158 HD1 TYR 24 HD1 TYR 24 2.271 3.248 1.274 159 HD2 TYR 24 HD2 TYR 24 -0.935 4.417 3.840 160 HE1 TYR 24 HE1 TYR 24 3.205 1.781 3.121 161 HE2 TYR 24 HE2 TYR 24 0.009 2.943 5.677 162 HH TYR 24 HH TYR 24 1.511 1.588 6.332 163 H LYS 25 H LYS 25 0.791 3.667 -1.440 164 HA LYS 25 HA LYS 25 0.923 0.763 -1.019 165 1HB LYS 25 1HB LYS 25 1.430 2.178 -3.601 166 2HB LYS 25 2HB LYS 25 1.361 0.434 -3.299 167 1HG LYS 25 1HG LYS 25 -1.023 0.810 -2.471 168 2HG LYS 25 2HG LYS 25 -0.900 2.443 -3.150 169 1HD LYS 25 1HD LYS 25 0.018 0.593 -5.127 170 2HD LYS 25 2HD LYS 25 -1.529 -0.001 -4.498 171 1HE LYS 25 1HE LYS 25 -2.457 1.445 -5.971 172 2HE LYS 25 2HE LYS 25 -2.028 2.689 -4.785 173 1HZ LYS 25 1HZ LYS 25 -0.333 1.941 -7.050 174 2HZ LYS 25 2HZ LYS 25 -1.119 3.207 -6.980 175 3HZ LYS 25 3HZ LYS 25 0.028 2.989 -6.051 176 H LYS 26 H LYS 26 2.938 -0.171 -0.971 177 HA LYS 26 HA LYS 26 5.324 1.494 -1.138 178 1HB LYS 26 1HB LYS 26 6.105 0.409 1.030 179 2HB LYS 26 2HB LYS 26 5.033 1.819 1.070 180 1HG LYS 26 1HG LYS 26 3.138 0.500 1.609 181 2HG LYS 26 2HG LYS 26 3.958 -1.006 1.157 182 1HD LYS 26 1HD LYS 26 4.901 0.746 3.439 183 2HD LYS 26 2HD LYS 26 3.720 -0.558 3.659 184 1HE LYS 26 1HE LYS 26 5.403 -2.132 2.616 185 2HE LYS 26 2HE LYS 26 6.581 -0.808 2.681 186 1HZ LYS 26 3HZ LYS 26 6.252 -0.821 5.093 187 2HZ LYS 26 1HZ LYS 26 5.262 -1.935 5.038 188 3HZ LYS 26 2HZ LYS 26 6.687 -2.187 4.682 189 CH2 TRP 27 CH2 TRP 27 4.457 2.795 -5.598 190 H TRP 27 H TRP 27 6.842 0.444 -2.212 191 HA TRP 27 HA TRP 27 7.136 -2.438 -2.093 192 1HB TRP 27 1HB TRP 27 7.053 -2.786 -4.449 193 2HB TRP 27 2HB TRP 27 5.506 -2.187 -3.827 194 HD1 TRP 27 HD1 TRP 27 8.042 -1.455 -6.480 195 HE1 TRP 27 HE1 TRP 27 7.454 0.718 -7.692 196 HE3 TRP 27 HE3 TRP 27 4.486 0.235 -3.279 197 HZ2 TRP 27 HZ2 TRP 27 5.704 2.919 -7.379 198 HZ3 TRP 27 HZ3 TRP 27 3.385 2.408 -3.806 199 HH2 TRP 27 HH2 TRP 27 3.943 3.734 -5.775 200 CH2 TRP 28 CH2 TRP 28 9.521 -4.693 2.045 201 H TRP 28 H TRP 28 9.163 -3.062 -3.137 202 HA TRP 28 HA TRP 28 11.097 -1.047 -3.844 203 1HB TRP 28 1HB TRP 28 12.622 -1.339 -2.126 204 2HB TRP 28 2HB TRP 28 11.053 -0.989 -1.379 205 HD1 TRP 28 HD1 TRP 28 13.547 -3.907 -1.812 206 HE1 TRP 28 HE1 TRP 28 13.036 -5.679 -0.043 207 HE3 TRP 28 HE3 TRP 28 9.293 -1.872 0.064 208 HZ2 TRP 28 HZ2 TRP 28 11.084 -6.203 1.939 209 HZ3 TRP 28 HZ3 TRP 28 8.146 -3.078 1.915 210 HH2 TRP 28 HH2 TRP 28 8.978 -5.172 2.852 211 H SER 29 H SER 29 12.424 -1.928 -5.288 212 HA SER 29 HA SER 29 12.199 -4.717 -5.972 213 1HB SER 29 1HB SER 29 13.712 -4.128 -7.856 214 2HB SER 29 2HB SER 29 12.252 -3.125 -7.802 215 HG SER 29 HG SER 29 14.187 -1.849 -8.288 216 H ASP 30 H ASP 30 13.609 -6.250 -5.587 217 HA ASP 30 HA ASP 30 15.942 -5.624 -3.940 218 1HB ASP 30 1HB ASP 30 15.884 -8.279 -3.847 219 2HB ASP 30 2HB ASP 30 14.884 -7.281 -2.778 220 H HIS 31 H HIS 31 17.484 -7.777 -4.384 221 HA HIS 31 HA HIS 31 19.081 -7.203 -6.512 222 1HB HIS 31 1HB HIS 31 18.859 -9.382 -4.657 223 2HB HIS 31 2HB HIS 31 19.436 -9.895 -6.252 224 HD2 HIS 31 HD2 HIS 31 20.962 -8.729 -3.085 225 HE1 HIS 31 HE1 HIS 31 23.568 -7.242 -6.088 226 NH1 ARG 32 NH2 ARG 32 19.137 -14.452 -11.604 227 NH2 ARG 32 NH1 ARG 32 17.887 -16.351 -11.150 228 H ARG 32 H ARG 32 16.834 -9.947 -6.417 229 HA ARG 32 HA ARG 32 16.194 -9.521 -9.235 230 1HB ARG 32 1HB ARG 32 17.841 -11.290 -9.277 231 2HB ARG 32 2HB ARG 32 17.019 -12.149 -7.963 232 1HG ARG 32 1HG ARG 32 15.507 -13.077 -9.363 233 2HG ARG 32 2HG ARG 32 15.280 -11.569 -10.264 234 1HD ARG 32 1HD ARG 32 16.450 -12.491 -11.947 235 2HD ARG 32 2HD ARG 32 17.881 -12.427 -10.904 236 HE ARG 32 HE ARG 32 16.098 -14.735 -10.684 237 1HH1 ARG 32 1HH2 ARG 32 19.195 -13.506 -11.660 238 2HH1 ARG 32 2HH2 ARG 32 19.895 -14.987 -11.808 239 1HH2 ARG 32 1HH1 ARG 32 17.069 -16.755 -10.888 240 2HH2 ARG 32 2HH1 ARG 32 18.642 -16.893 -11.352 241 H GLY 33 H GLY 33 14.529 -8.605 -7.465 242 1HA GLY 33 1HA GLY 33 12.141 -10.057 -7.882 243 2HA GLY 33 2HA GLY 33 12.670 -10.178 -6.196 244 H THR 34 H THR 34 10.395 -9.057 -6.302 245 HA THR 34 HA THR 34 10.823 -6.274 -5.649 246 HB THR 34 HB THR 34 9.021 -7.214 -7.927 247 HG1 THR 34 HG1 THR 34 10.374 -5.583 -9.063 248 1HG2 THR 34 1HG2 THR 34 9.367 -4.399 -6.726 249 2HG2 THR 34 2HG2 THR 34 8.344 -4.816 -8.111 250 3HG2 THR 34 3HG2 THR 34 7.909 -5.377 -6.488 251 H ILE 35 H ILE 35 9.939 -5.897 -3.841 252 HA ILE 35 HA ILE 35 7.776 -7.600 -2.865 253 HB ILE 35 HB ILE 35 9.710 -5.873 -1.381 254 1HG1 ILE 35 1HG1 ILE 35 9.220 -8.853 -1.200 255 2HG1 ILE 35 2HG1 ILE 35 10.394 -8.160 -2.333 256 1HG2 ILE 35 1HG2 ILE 35 7.360 -7.392 -0.312 257 2HG2 ILE 35 2HG2 ILE 35 8.655 -6.655 0.647 258 3HG2 ILE 35 3HG2 ILE 35 7.586 -5.635 -0.332 259 1HD1 ILE 35 1HD1 ILE 35 10.408 -7.784 0.684 260 2HD1 ILE 35 2HD1 ILE 35 11.489 -8.848 -0.231 261 3HD1 ILE 35 3HD1 ILE 35 11.582 -7.093 -0.449 262 H ILE 36 H ILE 36 5.802 -6.802 -2.579 263 HA ILE 36 HA ILE 36 5.353 -3.910 -2.680 264 HB ILE 36 HB ILE 36 3.584 -5.980 -4.018 265 1HG1 ILE 36 1HG1 ILE 36 4.752 -4.426 -5.991 266 2HG1 ILE 36 2HG1 ILE 36 6.073 -4.948 -4.932 267 1HG2 ILE 36 3HG2 ILE 36 2.442 -3.896 -3.338 268 2HG2 ILE 36 1HG2 ILE 36 3.665 -2.945 -4.195 269 3HG2 ILE 36 2HG2 ILE 36 2.573 -4.005 -5.101 270 1HD1 ILE 36 1HD1 ILE 36 3.973 -6.763 -6.173 271 2HD1 ILE 36 2HD1 ILE 36 5.655 -6.607 -6.710 272 3HD1 ILE 36 3HD1 ILE 36 5.295 -7.286 -5.114 273 H GLU 37 H GLU 37 3.584 -3.141 -1.584 274 HA GLU 37 HA GLU 37 2.047 -4.836 0.139 275 1HB GLU 37 1HB GLU 37 4.454 -4.364 1.157 276 2HB GLU 37 2HB GLU 37 3.618 -2.905 1.717 277 1HG GLU 37 1HG GLU 37 2.301 -5.587 2.044 278 2HG GLU 37 2HG GLU 37 3.570 -5.092 3.178 279 NH1 ARG 38 NH2 ARG 38 1.630 -1.807 -3.309 280 NH2 ARG 38 NH1 ARG 38 0.901 -2.352 -5.440 281 H ARG 38 H ARG 38 0.416 -3.675 1.237 282 HA ARG 38 HA ARG 38 0.074 -0.853 0.606 283 1HB ARG 38 1HB ARG 38 -1.928 -3.039 -0.034 284 2HB ARG 38 2HB ARG 38 -2.333 -1.315 0.015 285 1HG ARG 38 1HG ARG 38 -1.847 -1.480 -2.217 286 2HG ARG 38 2HG ARG 38 -0.206 -1.186 -1.617 287 1HD ARG 38 1HD ARG 38 0.308 -3.547 -1.667 288 2HD ARG 38 2HD ARG 38 -1.378 -3.955 -2.035 289 HE ARG 38 HE ARG 38 -0.910 -3.495 -4.237 290 1HH1 ARG 38 1HH2 ARG 38 1.513 -1.855 -2.368 291 2HH1 ARG 38 2HH2 ARG 38 2.370 -1.336 -3.672 292 1HH2 ARG 38 1HH1 ARG 38 0.276 -2.780 -6.013 293 2HH2 ARG 38 2HH1 ARG 38 1.639 -1.883 -5.811 294 H GLY 39 H GLY 39 -1.441 0.199 1.936 295 1HA GLY 39 1HA GLY 39 -2.787 -1.057 4.090 296 2HA GLY 39 2HA GLY 39 -1.285 -0.282 4.625 297 H CYS 40 H CYS 40 -3.162 0.832 5.838 298 HA CYS 40 HA CYS 40 -4.354 3.032 4.333 299 1HB CYS 40 1HB CYS 40 -5.039 1.660 6.830 300 2HB CYS 40 2HB CYS 40 -5.315 3.410 6.777 301 H GLY 41 H GLY 41 -4.094 5.176 5.155 302 1HA GLY 41 1HA GLY 41 -3.085 6.843 6.505 303 2HA GLY 41 2HA GLY 41 -1.831 5.666 6.929 304 H CYS 42 H CYS 42 -0.338 7.355 6.354 305 HA CYS 42 HA CYS 42 0.615 7.110 3.675 306 1HB CYS 42 1HB CYS 42 -1.041 8.902 3.376 307 2HB CYS 42 2HB CYS 42 -0.262 9.831 4.668 308 HA PRO 43 HA PRO 43 3.926 7.461 6.645 309 1HB PRO 43 1HB PRO 43 5.591 5.705 5.282 310 2HB PRO 43 2HB PRO 43 4.427 5.217 6.527 311 1HG PRO 43 1HG PRO 43 4.306 4.848 3.607 312 2HG PRO 43 2HG PRO 43 3.401 4.015 4.882 313 1HD PRO 43 2HD PRO 43 2.454 6.082 3.149 314 2HD PRO 43 1HD PRO 43 1.588 5.331 4.500 315 H LYS 44 H LYS 44 6.369 7.747 6.151 316 HA LYS 44 HA LYS 44 6.556 10.070 4.454 317 1HB LYS 44 1HB LYS 44 7.474 10.263 6.613 318 2HB LYS 44 2HB LYS 44 8.535 8.870 6.343 319 1HG LYS 44 1HG LYS 44 10.064 10.159 5.328 320 2HG LYS 44 2HG LYS 44 8.850 10.792 4.204 321 1HD LYS 44 1HD LYS 44 9.052 12.775 5.234 322 2HD LYS 44 2HD LYS 44 8.292 12.040 6.656 323 1HE LYS 44 1HE LYS 44 11.026 11.243 6.655 324 2HE LYS 44 2HE LYS 44 10.988 12.987 6.347 325 1HZ LYS 44 1HZ LYS 44 9.667 11.704 8.621 326 2HZ LYS 44 2HZ LYS 44 10.920 12.507 8.730 327 3HZ LYS 44 3HZ LYS 44 9.636 13.172 8.362 328 H VAL 45 H VAL 45 7.441 10.087 2.500 329 HA VAL 45 HA VAL 45 8.205 7.649 1.198 330 HB VAL 45 HB VAL 45 8.305 8.930 -0.812 331 1HG1 VAL 45 1HG1 VAL 45 5.895 9.595 0.858 332 2HG1 VAL 45 2HG1 VAL 45 6.001 9.686 -0.908 333 3HG1 VAL 45 3HG1 VAL 45 6.162 8.122 -0.092 334 1HG2 VAL 45 3HG2 VAL 45 7.823 11.351 0.961 335 2HG2 VAL 45 1HG2 VAL 45 9.317 11.000 0.078 336 3HG2 VAL 45 2HG2 VAL 45 7.826 11.350 -0.810 337 H LYS 46 H LYS 46 10.169 6.881 1.524 338 HA LYS 46 HA LYS 46 12.431 8.659 2.017 339 1HB LYS 46 1HB LYS 46 12.978 7.274 3.570 340 2HB LYS 46 2HB LYS 46 11.657 6.181 3.121 341 1HG LYS 46 1HG LYS 46 13.095 5.154 1.398 342 2HG LYS 46 2HG LYS 46 14.417 6.241 1.856 343 1HD LYS 46 1HD LYS 46 13.753 5.156 4.279 344 2HD LYS 46 2HD LYS 46 13.421 3.799 3.189 345 1HE LYS 46 1HE LYS 46 15.949 5.183 2.603 346 2HE LYS 46 2HE LYS 46 15.900 4.454 4.217 347 1HZ LYS 46 1HZ LYS 46 15.361 2.983 1.745 348 2HZ LYS 46 2HZ LYS 46 16.616 2.846 2.540 349 3HZ LYS 46 3HZ LYS 46 15.321 2.369 3.104 350 HA PRO 47 HA PRO 47 13.999 7.908 -1.966 351 1HB PRO 47 1HB PRO 47 16.704 8.339 -1.500 352 2HB PRO 47 2HB PRO 47 15.497 9.612 -1.752 353 1HG PRO 47 1HG PRO 47 16.836 8.774 0.733 354 2HG PRO 47 2HG PRO 47 15.977 10.281 0.374 355 1HD PRO 47 2HD PRO 47 15.031 8.067 1.916 356 2HD PRO 47 1HD PRO 47 14.129 9.523 1.457 357 H GLY 48 H GLY 48 14.461 6.138 -3.068 358 1HA GLY 48 1HA GLY 48 15.896 4.273 -3.596 359 2HA GLY 48 2HA GLY 48 16.087 4.027 -1.852 360 H VAL 49 H VAL 49 13.316 4.411 -1.243 361 HA VAL 49 HA VAL 49 12.242 1.852 -2.175 362 HB VAL 49 HB VAL 49 11.563 3.395 0.310 363 1HG1 VAL 49 1HG1 VAL 49 10.625 0.701 -0.641 364 2HG1 VAL 49 2HG1 VAL 49 10.323 1.409 0.955 365 3HG1 VAL 49 3HG1 VAL 49 9.656 2.177 -0.495 366 1HG2 VAL 49 3HG2 VAL 49 13.177 0.853 -0.112 367 2HG2 VAL 49 1HG2 VAL 49 13.835 2.425 0.371 368 3HG2 VAL 49 2HG2 VAL 49 12.740 1.552 1.456 369 H ASN 50 H ASN 50 10.207 1.762 -3.020 370 HA ASN 50 HA ASN 50 9.119 4.215 -4.098 371 1HB ASN 50 1HB ASN 50 8.275 1.332 -4.535 372 2HB ASN 50 2HB ASN 50 7.632 2.739 -5.398 373 1HD2 ASN 50 2HD2 ASN 50 10.807 0.833 -6.722 374 2HD2 ASN 50 1HD2 ASN 50 9.705 0.265 -5.639 375 H LEU 51 H LEU 51 7.225 5.072 -3.447 376 HA LEU 51 HA LEU 51 5.309 3.633 -1.844 377 1HB LEU 51 1HB LEU 51 7.191 4.486 -0.356 378 2HB LEU 51 2HB LEU 51 6.397 6.057 -0.561 379 HG LEU 51 HG LEU 51 4.631 3.824 0.231 380 1HD1 LEU 51 1HD1 LEU 51 6.721 4.809 2.137 381 2HD1 LEU 51 2HD1 LEU 51 5.300 3.834 2.552 382 3HD1 LEU 51 3HD1 LEU 51 6.548 3.172 1.483 383 1HD2 LEU 51 3HD2 LEU 51 5.040 6.657 1.252 384 2HD2 LEU 51 1HD2 LEU 51 3.836 6.156 0.053 385 3HD2 LEU 51 2HD2 LEU 51 3.723 5.569 1.720 386 H ASN 52 H ASN 52 3.315 4.527 -2.015 387 HA ASN 52 HA ASN 52 3.001 7.124 -3.315 388 1HB ASN 52 1HB ASN 52 2.776 5.135 -4.944 389 2HB ASN 52 2HB ASN 52 1.278 4.761 -4.075 390 1HD2 ASN 52 2HD2 ASN 52 1.246 7.326 -7.020 391 2HD2 ASN 52 1HD2 ASN 52 2.349 6.138 -6.742 392 H CYS 53 H CYS 53 1.231 8.233 -2.602 393 HA CYS 53 HA CYS 53 -0.421 7.005 -0.502 394 1HB CYS 53 1HB CYS 53 0.685 9.765 -0.693 395 2HB CYS 53 2HB CYS 53 -0.724 9.369 0.305 396 H CYS 54 H CYS 54 -2.603 7.395 -0.611 397 HA CYS 54 HA CYS 54 -3.768 9.134 -2.577 398 1HB CYS 54 1HB CYS 54 -5.198 7.166 -3.431 399 2HB CYS 54 2HB CYS 54 -3.569 7.386 -4.093 400 NH1 ARG 55 NH2 ARG 55 -7.043 14.807 2.563 401 NH2 ARG 55 NH1 ARG 55 -5.813 13.728 4.205 402 H ARG 55 H ARG 55 -6.094 9.211 -2.344 403 HA ARG 55 HA ARG 55 -6.951 8.541 0.382 404 1HB ARG 55 1HB ARG 55 -7.830 10.916 -1.269 405 2HB ARG 55 2HB ARG 55 -8.325 10.532 0.389 406 1HG ARG 55 1HG ARG 55 -5.814 10.609 0.961 407 2HG ARG 55 2HG ARG 55 -5.608 11.399 -0.610 408 1HD ARG 55 1HD ARG 55 -6.322 13.364 0.218 409 2HD ARG 55 2HD ARG 55 -7.794 12.615 0.860 410 HE ARG 55 HE ARG 55 -5.669 11.931 2.538 411 1HH1 ARG 55 1HH2 ARG 55 -7.420 14.807 1.690 412 2HH1 ARG 55 2HH2 ARG 55 -7.160 15.560 3.130 413 1HH2 ARG 55 1HH1 ARG 55 -5.320 12.972 4.501 414 2HH2 ARG 55 2HH1 ARG 55 -5.925 14.477 4.778 415 H THR 56 H THR 56 -7.246 7.214 -2.340 416 HA THR 56 HA THR 56 -10.174 7.090 -2.510 417 HB THR 56 HB THR 56 -9.353 5.794 -4.736 418 HG1 THR 56 HG1 THR 56 -7.287 6.813 -5.430 419 1HG2 THR 56 1HG2 THR 56 -8.965 8.833 -4.437 420 2HG2 THR 56 2HG2 THR 56 -9.286 7.974 -5.953 421 3HG2 THR 56 3HG2 THR 56 -10.547 8.086 -4.713 422 H ASP 57 H ASP 57 -11.252 5.222 -2.417 423 HA ASP 57 HA ASP 57 -10.320 3.280 -0.616 424 1HB ASP 57 1HB ASP 57 -12.760 3.819 -2.091 425 2HB ASP 57 2HB ASP 57 -12.371 2.091 -2.114 426 NH1 ARG 58 NH2 ARG 58 -12.332 -4.061 -5.557 427 NH2 ARG 58 NH1 ARG 58 -10.319 -4.190 -6.698 428 H ARG 58 H ARG 58 -9.507 1.277 -0.971 429 HA ARG 58 HA ARG 58 -8.188 -0.305 -1.978 430 1HB ARG 58 1HB ARG 58 -10.682 -0.057 -3.578 431 2HB ARG 58 2HB ARG 58 -9.333 -0.907 -4.352 432 1HG ARG 58 1HG ARG 58 -9.154 -2.377 -2.354 433 2HG ARG 58 2HG ARG 58 -10.563 -1.563 -1.655 434 1HD ARG 58 1HD ARG 58 -11.229 -3.668 -2.735 435 2HD ARG 58 2HD ARG 58 -11.928 -2.282 -3.590 436 HE ARG 58 HE ARG 58 -9.418 -3.102 -4.690 437 1HH1 ARG 58 1HH2 ARG 58 -12.817 -3.804 -4.782 438 2HH1 ARG 58 2HH2 ARG 58 -12.781 -4.478 -6.283 439 1HH2 ARG 58 1HH1 ARG 58 -9.383 -4.028 -6.740 440 2HH2 ARG 58 2HH1 ARG 58 -10.762 -4.607 -7.428 441 H CYS 59 H CYS 59 -7.717 2.564 -2.584 442 HA CYS 59 HA CYS 59 -6.868 2.841 -5.274 443 1HB CYS 59 1HB CYS 59 -5.889 4.869 -4.687 444 2HB CYS 59 2HB CYS 59 -7.431 4.738 -3.824 445 H ASN 60 H ASN 60 -5.559 1.491 -2.389 446 HA ASN 60 HA ASN 60 -2.857 1.302 -3.451 447 1HB ASN 60 1HB ASN 60 -2.394 0.166 -1.238 448 2HB ASN 60 2HB ASN 60 -2.934 1.849 -1.109 449 1HD2 ASN 60 2HD2 ASN 60 -4.733 0.021 1.423 450 2HD2 ASN 60 1HD2 ASN 60 -3.191 0.480 1.083 451 H ASN 61 H ASN 61 -3.495 -0.114 -5.175 452 HA ASN 61 HA ASN 61 -3.788 -2.904 -4.337 453 1HB ASN 61 1HB ASN 61 -5.913 -2.400 -5.276 454 2HB ASN 61 2HB ASN 61 -5.191 -1.464 -6.597 455 1HD2 ASN 61 2HD2 ASN 61 -6.004 -5.313 -6.998 456 2HD2 ASN 61 1HD2 ASN 61 -6.556 -4.332 -5.798 Start of MODEL 9 Raw file had 456 H/Q atoms Start of MODEL 9 1 1H LEU 1 3H LEU 1 -13.497 3.265 5.777 2 2H LEU 1 1H LEU 1 -12.157 3.656 6.304 3 3H LEU 1 2H LEU 1 -13.087 4.699 5.781 4 HA LEU 1 HA LEU 1 -12.946 3.889 3.514 5 1HB LEU 1 1HB LEU 1 -11.335 5.588 4.623 6 2HB LEU 1 2HB LEU 1 -10.155 4.299 4.326 7 HG LEU 1 HG LEU 1 -11.816 4.883 1.994 8 1HD1 LEU 1 1HD1 LEU 1 -10.155 7.131 3.075 9 2HD1 LEU 1 2HD1 LEU 1 -10.860 7.035 1.452 10 3HD1 LEU 1 3HD1 LEU 1 -11.914 7.094 2.874 11 1HD2 LEU 1 1HD2 LEU 1 -9.753 3.525 1.932 12 2HD2 LEU 1 2HD2 LEU 1 -9.603 4.961 0.905 13 3HD2 LEU 1 3HD2 LEU 1 -8.817 4.921 2.492 14 H GLU 2 H GLU 2 -12.512 2.163 2.288 15 HA GLU 2 HA GLU 2 -11.359 -0.203 3.554 16 1HB GLU 2 1HB GLU 2 -13.686 0.076 2.095 17 2HB GLU 2 2HB GLU 2 -12.545 -0.531 0.882 18 1HG GLU 2 1HG GLU 2 -12.222 -2.540 1.989 19 2HG GLU 2 2HG GLU 2 -12.625 -1.853 3.572 20 H CYS 3 H CYS 3 -9.329 -0.479 3.262 21 HA CYS 3 HA CYS 3 -8.075 0.281 0.717 22 1HB CYS 3 1HB CYS 3 -6.797 -0.001 3.408 23 2HB CYS 3 2HB CYS 3 -5.966 0.358 1.884 24 H HIS 4 H HIS 4 -6.341 -1.191 0.047 25 HA HIS 4 HA HIS 4 -7.195 -3.904 0.032 26 1HB HIS 4 1HB HIS 4 -5.225 -2.266 -1.375 27 2HB HIS 4 2HB HIS 4 -4.618 -3.885 -0.987 28 HD2 HIS 4 HD2 HIS 4 -6.007 -2.436 -3.974 29 HE1 HIS 4 HE1 HIS 4 -8.093 -6.127 -3.743 30 H ASN 5 H ASN 5 -5.757 -5.687 0.543 31 HA ASN 5 HA ASN 5 -4.245 -5.205 3.013 32 1HB ASN 5 1HB ASN 5 -6.634 -6.768 2.672 33 2HB ASN 5 2HB ASN 5 -5.284 -7.861 3.024 34 1HD2 ASN 5 2HD2 ASN 5 -6.379 -7.191 6.288 35 2HD2 ASN 5 1HD2 ASN 5 -6.626 -8.155 4.977 36 H GLN 6 H GLN 6 -4.869 -7.413 0.329 37 HA GLN 6 HA GLN 6 -2.917 -9.265 0.508 38 1HB GLN 6 1HB GLN 6 -2.699 -8.933 -2.092 39 2HB GLN 6 2HB GLN 6 -4.213 -9.539 -1.398 40 1HG GLN 6 1HG GLN 6 -5.365 -7.660 -1.948 41 2HG GLN 6 2HG GLN 6 -4.004 -6.593 -1.562 42 1HE2 GLN 6 2HE2 GLN 6 -4.933 -6.920 -5.247 43 2HE2 GLN 6 1HE2 GLN 6 -5.881 -6.897 -3.902 44 H GLN 7 H GLN 7 -0.803 -9.466 0.060 45 HA GLN 7 HA GLN 7 0.733 -6.976 -0.182 46 1HB GLN 7 1HB GLN 7 0.728 -8.607 2.000 47 2HB GLN 7 2HB GLN 7 2.143 -9.175 1.096 48 1HG GLN 7 1HG GLN 7 1.903 -6.247 1.176 49 2HG GLN 7 2HG GLN 7 2.088 -6.984 2.777 50 1HE2 GLN 7 2HE2 GLN 7 5.450 -6.376 1.870 51 2HE2 GLN 7 1HE2 GLN 7 4.106 -5.633 2.460 52 H SER 8 H SER 8 2.684 -7.117 -1.334 53 HA SER 8 HA SER 8 3.985 -7.650 -3.134 54 1HB SER 8 1HB SER 8 3.468 -10.252 -1.760 55 2HB SER 8 2HB SER 8 4.159 -10.299 -3.391 56 HG SER 8 HG SER 8 5.833 -10.343 -1.718 57 H SER 9 H SER 9 2.279 -10.588 -3.618 58 HA SER 9 HA SER 9 0.676 -9.413 -5.760 59 1HB SER 9 1HB SER 9 1.234 -11.448 -7.152 60 2HB SER 9 2HB SER 9 2.561 -10.293 -6.939 61 HG SER 9 HG SER 9 3.293 -12.535 -6.716 62 H GLN 10 H GLN 10 -0.257 -10.024 -3.280 63 HA GLN 10 HA GLN 10 -1.416 -12.622 -3.139 64 1HB GLN 10 1HB GLN 10 -1.234 -10.334 -1.416 65 2HB GLN 10 2HB GLN 10 -2.886 -10.975 -1.460 66 1HG GLN 10 1HG GLN 10 -2.211 -13.101 -0.711 67 2HG GLN 10 2HG GLN 10 -0.517 -12.816 -1.144 68 1HE2 GLN 10 2HE2 GLN 10 0.229 -12.132 2.100 69 2HE2 GLN 10 1HE2 GLN 10 0.507 -12.986 0.721 70 HA PRO 11 HA PRO 11 -5.217 -11.921 -5.178 71 1HB PRO 11 1HB PRO 11 -7.142 -12.818 -3.390 72 2HB PRO 11 2HB PRO 11 -6.130 -13.879 -4.384 73 1HG PRO 11 1HG PRO 11 -5.992 -13.338 -1.491 74 2HG PRO 11 2HG PRO 11 -5.302 -14.682 -2.417 75 1HD PRO 11 2HD PRO 11 -3.927 -12.398 -1.383 76 2HD PRO 11 1HD PRO 11 -3.261 -13.682 -2.408 77 HA PRO 12 HA PRO 12 -7.223 -8.239 -4.129 78 1HB PRO 12 1HB PRO 12 -9.822 -8.640 -5.019 79 2HB PRO 12 2HB PRO 12 -8.451 -8.260 -6.076 80 1HG PRO 12 1HG PRO 12 -9.883 -10.809 -5.717 81 2HG PRO 12 2HG PRO 12 -8.823 -10.292 -7.040 82 1HD PRO 12 2HD PRO 12 -8.186 -12.082 -4.902 83 2HD PRO 12 1HD PRO 12 -7.094 -11.474 -6.158 84 H THR 13 H THR 13 -7.287 -7.908 -2.047 85 HA THR 13 HA THR 13 -9.717 -8.595 -0.588 86 HB THR 13 HB THR 13 -8.034 -9.135 1.389 87 HG1 THR 13 HG1 THR 13 -5.983 -10.011 0.489 88 1HG2 THR 13 3HG2 THR 13 -9.415 -10.942 0.161 89 2HG2 THR 13 1HG2 THR 13 -8.108 -11.038 -1.032 90 3HG2 THR 13 2HG2 THR 13 -7.810 -11.511 0.648 91 H THR 14 H THR 14 -10.376 -7.162 0.842 92 HA THR 14 HA THR 14 -8.742 -4.775 1.318 93 HB THR 14 HB THR 14 -11.705 -4.494 0.831 94 HG1 THR 14 HG1 THR 14 -11.208 -4.386 -1.519 95 1HG2 THR 14 1HG2 THR 14 -9.251 -2.913 -0.146 96 2HG2 THR 14 2HG2 THR 14 -10.939 -2.388 -0.272 97 3HG2 THR 14 3HG2 THR 14 -10.157 -2.484 1.314 98 H LYS 15 H LYS 15 -9.846 -3.383 2.999 99 HA LYS 15 HA LYS 15 -11.439 -4.580 4.995 100 1HB LYS 15 1HB LYS 15 -9.848 -5.039 6.693 101 2HB LYS 15 2HB LYS 15 -9.192 -5.801 5.234 102 1HG LYS 15 1HG LYS 15 -7.363 -4.494 5.267 103 2HG LYS 15 2HG LYS 15 -8.333 -3.026 5.485 104 1HD LYS 15 1HD LYS 15 -8.174 -3.093 7.782 105 2HD LYS 15 2HD LYS 15 -8.024 -4.858 7.828 106 1HE LYS 15 1HE LYS 15 -5.766 -3.750 6.426 107 2HE LYS 15 2HE LYS 15 -5.947 -2.927 7.985 108 1HZ LYS 15 1HZ LYS 15 -5.775 -5.834 7.685 109 2HZ LYS 15 2HZ LYS 15 -4.669 -4.983 8.213 110 3HZ LYS 15 3HZ LYS 15 -5.928 -5.140 8.997 111 H THR 16 H THR 16 -12.065 -3.200 6.550 112 HA THR 16 HA THR 16 -11.742 -0.400 5.881 113 HB THR 16 HB THR 16 -13.615 -2.024 7.631 114 HG1 THR 16 HG1 THR 16 -15.151 -0.922 6.143 115 1HG2 THR 16 3HG2 THR 16 -13.072 0.207 8.817 116 2HG2 THR 16 1HG2 THR 16 -13.524 1.038 7.319 117 3HG2 THR 16 2HG2 THR 16 -14.740 0.126 8.228 118 H CYS 17 H CYS 17 -10.504 0.959 6.817 119 HA CYS 17 HA CYS 17 -8.921 0.118 9.106 120 1HB CYS 17 1HB CYS 17 -8.626 2.247 7.020 121 2HB CYS 17 2HB CYS 17 -7.820 2.447 8.587 122 H SER 18 H SER 18 -8.639 1.567 10.879 123 HA SER 18 HA SER 18 -11.092 3.041 11.510 124 1HB SER 18 1HB SER 18 -10.437 2.678 13.901 125 2HB SER 18 2HB SER 18 -10.812 1.187 13.020 126 HG SER 18 HG SER 18 -8.902 0.946 14.396 127 H GLY 19 H GLY 19 -10.922 4.968 12.665 128 1HA GLY 19 1HA GLY 19 -10.180 7.151 12.720 129 2HA GLY 19 2HA GLY 19 -8.843 6.385 13.595 130 H GLU 20 H GLU 20 -9.542 5.693 10.266 131 HA GLU 20 HA GLU 20 -7.569 7.505 9.212 132 1HB GLU 20 1HB GLU 20 -6.208 5.574 10.010 133 2HB GLU 20 2HB GLU 20 -7.165 4.505 8.969 134 1HG GLU 20 1HG GLU 20 -4.985 5.214 7.954 135 2HG GLU 20 2HG GLU 20 -6.400 5.654 6.983 136 H THR 21 H THR 21 -8.146 8.189 7.337 137 HA THR 21 HA THR 21 -9.970 6.583 5.692 138 HB THR 21 HB THR 21 -11.267 8.277 6.832 139 HG1 THR 21 HG1 THR 21 -12.064 9.311 4.812 140 1HG2 THR 21 1HG2 THR 21 -9.471 10.262 5.313 141 2HG2 THR 21 2HG2 THR 21 -10.864 10.687 6.323 142 3HG2 THR 21 3HG2 THR 21 -9.394 10.040 7.068 143 H ASN 22 H ASN 22 -7.297 6.439 5.300 144 HA ASN 22 HA ASN 22 -6.961 7.725 2.705 145 1HB ASN 22 1HB ASN 22 -4.914 7.763 4.949 146 2HB ASN 22 2HB ASN 22 -4.544 8.147 3.259 147 1HD2 ASN 22 2HD2 ASN 22 -6.928 10.609 5.509 148 2HD2 ASN 22 1HD2 ASN 22 -6.828 8.995 5.819 149 H CYS 23 H CYS 23 -5.297 6.655 1.448 150 HA CYS 23 HA CYS 23 -4.629 3.925 2.285 151 1HB CYS 23 1HB CYS 23 -5.958 4.693 -0.279 152 2HB CYS 23 2HB CYS 23 -5.089 3.168 -0.034 153 OH TYR 24 OH TYR 24 1.130 0.706 5.540 154 H TYR 24 H TYR 24 -2.627 3.315 1.662 155 HA TYR 24 HA TYR 24 -1.090 4.974 -0.184 156 1HB TYR 24 1HB TYR 24 0.672 5.202 1.446 157 2HB TYR 24 2HB TYR 24 -0.820 5.521 2.348 158 HD1 TYR 24 HD1 TYR 24 1.459 2.677 1.479 159 HD2 TYR 24 HD2 TYR 24 -1.133 4.447 4.372 160 HE1 TYR 24 HE1 TYR 24 2.070 0.865 3.146 161 HE2 TYR 24 HE2 TYR 24 -0.515 2.629 6.029 162 HH TYR 24 HH TYR 24 0.597 0.871 6.469 163 H LYS 25 H LYS 25 0.848 3.925 -0.932 164 HA LYS 25 HA LYS 25 0.972 1.027 -0.616 165 1HB LYS 25 1HB LYS 25 1.466 1.925 -3.368 166 2HB LYS 25 2HB LYS 25 0.516 0.551 -2.777 167 1HG LYS 25 1HG LYS 25 -1.383 1.989 -2.326 168 2HG LYS 25 2HG LYS 25 -0.435 3.431 -2.728 169 1HD LYS 25 1HD LYS 25 -0.101 2.132 -5.027 170 2HD LYS 25 2HD LYS 25 -1.616 1.357 -4.533 171 1HE LYS 25 1HE LYS 25 -2.207 3.258 -5.871 172 2HE LYS 25 2HE LYS 25 -2.570 3.679 -4.188 173 1HZ LYS 25 1HZ LYS 25 -0.158 4.543 -5.602 174 2HZ LYS 25 2HZ LYS 25 -1.306 5.442 -5.289 175 3HZ LYS 25 3HZ LYS 25 -0.463 4.897 -4.186 176 H LYS 26 H LYS 26 2.907 0.145 -0.690 177 HA LYS 26 HA LYS 26 5.232 1.814 -1.251 178 1HB LYS 26 1HB LYS 26 6.181 0.772 0.957 179 2HB LYS 26 2HB LYS 26 5.331 2.325 0.893 180 1HG LYS 26 1HG LYS 26 3.291 1.339 1.666 181 2HG LYS 26 2HG LYS 26 3.928 -0.300 1.455 182 1HD LYS 26 1HD LYS 26 5.082 1.730 3.392 183 2HD LYS 26 2HD LYS 26 3.891 0.497 3.842 184 1HE LYS 26 1HE LYS 26 5.699 -1.091 2.639 185 2HE LYS 26 2HE LYS 26 6.783 0.204 3.176 186 1HZ LYS 26 3HZ LYS 26 5.917 -0.192 5.416 187 2HZ LYS 26 1HZ LYS 26 5.005 -1.281 4.965 188 3HZ LYS 26 2HZ LYS 26 6.483 -1.476 4.909 189 CH2 TRP 27 CH2 TRP 27 4.230 2.954 -5.642 190 H TRP 27 H TRP 27 6.666 0.692 -2.371 191 HA TRP 27 HA TRP 27 6.948 -2.189 -2.080 192 1HB TRP 27 1HB TRP 27 6.769 -2.642 -4.418 193 2HB TRP 27 2HB TRP 27 5.256 -2.006 -3.752 194 HD1 TRP 27 HD1 TRP 27 7.624 -1.439 -6.577 195 HE1 TRP 27 HE1 TRP 27 7.016 0.698 -7.840 196 HE3 TRP 27 HE3 TRP 27 4.345 0.493 -3.220 197 HZ2 TRP 27 HZ2 TRP 27 5.354 2.965 -7.506 198 HZ3 TRP 27 HZ3 TRP 27 3.271 2.673 -3.768 199 HH2 TRP 27 HH2 TRP 27 3.731 3.900 -5.825 200 CH2 TRP 28 CH2 TRP 28 9.852 -4.615 1.957 201 H TRP 28 H TRP 28 8.917 -2.903 -3.189 202 HA TRP 28 HA TRP 28 10.854 -0.979 -4.092 203 1HB TRP 28 1HB TRP 28 12.388 -1.046 -2.417 204 2HB TRP 28 2HB TRP 28 10.842 -0.828 -1.580 205 HD1 TRP 28 HD1 TRP 28 13.585 -3.490 -2.104 206 HE1 TRP 28 HE1 TRP 28 13.346 -5.272 -0.288 207 HE3 TRP 28 HE3 TRP 28 9.239 -1.867 -0.046 208 HZ2 TRP 28 HZ2 TRP 28 11.554 -5.960 1.794 209 HZ3 TRP 28 HZ3 TRP 28 8.313 -3.153 1.876 210 HH2 TRP 28 HH2 TRP 28 9.400 -5.133 2.796 211 H SER 29 H SER 29 12.168 -1.988 -5.474 212 HA SER 29 HA SER 29 11.863 -4.821 -5.942 213 1HB SER 29 1HB SER 29 13.763 -3.070 -7.476 214 2HB SER 29 2HB SER 29 12.841 -4.480 -8.027 215 HG SER 29 HG SER 29 12.011 -2.461 -8.948 216 H ASP 30 H ASP 30 13.436 -6.322 -5.795 217 HA ASP 30 HA ASP 30 15.784 -5.604 -4.190 218 1HB ASP 30 1HB ASP 30 15.843 -8.033 -3.612 219 2HB ASP 30 2HB ASP 30 14.409 -7.179 -3.018 220 H HIS 31 H HIS 31 17.277 -7.825 -4.590 221 HA HIS 31 HA HIS 31 18.754 -7.344 -6.847 222 1HB HIS 31 1HB HIS 31 18.529 -9.575 -4.926 223 2HB HIS 31 2HB HIS 31 19.175 -10.017 -6.516 224 HD2 HIS 31 HD2 HIS 31 21.518 -8.329 -7.239 225 HE1 HIS 31 HE1 HIS 31 22.567 -7.797 -3.159 226 NH1 ARG 32 NH2 ARG 32 18.386 -12.075 -13.014 227 NH2 ARG 32 NH1 ARG 32 16.707 -11.155 -14.321 228 H ARG 32 H ARG 32 16.595 -10.120 -6.584 229 HA ARG 32 HA ARG 32 15.822 -9.693 -9.373 230 1HB ARG 32 1HB ARG 32 17.462 -11.471 -9.456 231 2HB ARG 32 2HB ARG 32 16.674 -12.318 -8.113 232 1HG ARG 32 1HG ARG 32 15.109 -13.239 -9.460 233 2HG ARG 32 2HG ARG 32 14.872 -11.733 -10.365 234 1HD ARG 32 1HD ARG 32 17.484 -12.914 -10.904 235 2HD ARG 32 2HD ARG 32 16.166 -14.038 -11.279 236 HE ARG 32 HE ARG 32 15.230 -12.043 -12.573 237 1HH1 ARG 32 1HH2 ARG 32 18.646 -12.554 -12.236 238 2HH1 ARG 32 2HH2 ARG 32 19.044 -11.775 -13.629 239 1HH2 ARG 32 1HH1 ARG 32 15.786 -10.979 -14.476 240 2HH2 ARG 32 2HH1 ARG 32 17.359 -10.851 -14.941 241 H GLY 33 H GLY 33 14.206 -8.739 -7.617 242 1HA GLY 33 1HA GLY 33 11.821 -10.238 -7.884 243 2HA GLY 33 2HA GLY 33 12.402 -10.244 -6.211 244 H THR 34 H THR 34 10.177 -9.154 -6.157 245 HA THR 34 HA THR 34 10.566 -6.342 -5.730 246 HB THR 34 HB THR 34 8.739 -7.403 -7.930 247 HG1 THR 34 HG1 THR 34 10.048 -5.800 -9.157 248 1HG2 THR 34 1HG2 THR 34 9.054 -4.534 -6.859 249 2HG2 THR 34 2HG2 THR 34 8.019 -5.027 -8.209 250 3HG2 THR 34 3HG2 THR 34 7.616 -5.523 -6.558 251 H ILE 35 H ILE 35 9.767 -5.950 -3.885 252 HA ILE 35 HA ILE 35 7.569 -7.567 -2.839 253 HB ILE 35 HB ILE 35 9.565 -5.886 -1.382 254 1HG1 ILE 35 1HG1 ILE 35 10.364 -8.061 -2.368 255 2HG1 ILE 35 2HG1 ILE 35 10.425 -7.996 -0.598 256 1HG2 ILE 35 1HG2 ILE 35 7.264 -7.477 -0.309 257 2HG2 ILE 35 2HG2 ILE 35 8.570 -6.751 0.643 258 3HG2 ILE 35 3HG2 ILE 35 7.464 -5.717 -0.277 259 1HD1 ILE 35 1HD1 ILE 35 8.232 -9.304 -2.247 260 2HD1 ILE 35 2HD1 ILE 35 9.517 -10.155 -1.374 261 3HD1 ILE 35 3HD1 ILE 35 8.294 -9.239 -0.478 262 H ILE 36 H ILE 36 5.640 -6.683 -2.513 263 HA ILE 36 HA ILE 36 5.314 -3.773 -2.718 264 HB ILE 36 HB ILE 36 3.380 -5.884 -3.731 265 1HG1 ILE 36 1HG1 ILE 36 4.159 -4.390 -5.902 266 2HG1 ILE 36 2HG1 ILE 36 5.675 -4.532 -4.994 267 1HG2 ILE 36 3HG2 ILE 36 2.228 -3.955 -2.941 268 2HG2 ILE 36 1HG2 ILE 36 3.258 -2.898 -3.921 269 3HG2 ILE 36 2HG2 ILE 36 2.161 -4.044 -4.709 270 1HD1 ILE 36 3HD1 ILE 36 5.406 -6.987 -4.931 271 2HD1 ILE 36 1HD1 ILE 36 3.892 -6.845 -5.838 272 3HD1 ILE 36 2HD1 ILE 36 5.425 -6.390 -6.599 273 H GLU 37 H GLU 37 3.746 -2.823 -1.497 274 HA GLU 37 HA GLU 37 2.450 -4.367 0.586 275 1HB GLU 37 1HB GLU 37 4.576 -3.969 1.593 276 2HB GLU 37 2HB GLU 37 4.471 -2.238 1.230 277 1HG GLU 37 1HG GLU 37 3.868 -2.691 3.574 278 2HG GLU 37 2HG GLU 37 2.485 -2.049 2.670 279 NH1 ARG 38 NH2 ARG 38 -2.780 -4.491 -2.361 280 NH2 ARG 38 NH1 ARG 38 -2.266 -4.470 -4.621 281 H ARG 38 H ARG 38 0.812 -3.196 1.644 282 HA ARG 38 HA ARG 38 0.127 -0.544 0.678 283 1HB ARG 38 1HB ARG 38 -1.648 -2.985 0.397 284 2HB ARG 38 2HB ARG 38 -2.260 -1.323 0.324 285 1HG ARG 38 1HG ARG 38 -1.905 -1.737 -1.924 286 2HG ARG 38 2HG ARG 38 -0.339 -1.039 -1.475 287 1HD ARG 38 1HD ARG 38 0.763 -2.996 -1.804 288 2HD ARG 38 2HD ARG 38 -0.536 -3.960 -1.079 289 HE ARG 38 HE ARG 38 -0.219 -3.341 -3.870 290 1HH1 ARG 38 1HH2 ARG 38 -2.543 -4.275 -1.467 291 2HH1 ARG 38 2HH2 ARG 38 -3.602 -4.931 -2.542 292 1HH2 ARG 38 1HH1 ARG 38 -1.675 -4.243 -5.329 293 2HH2 ARG 38 2HH1 ARG 38 -3.086 -4.910 -4.809 294 H GLY 39 H GLY 39 -1.684 0.369 1.897 295 1HA GLY 39 1HA GLY 39 -2.730 -0.685 4.252 296 2HA GLY 39 2HA GLY 39 -1.272 0.239 4.652 297 H CYS 40 H CYS 40 -3.060 1.416 5.840 298 HA CYS 40 HA CYS 40 -4.333 3.434 4.140 299 1HB CYS 40 1HB CYS 40 -5.038 2.748 6.998 300 2HB CYS 40 2HB CYS 40 -5.917 3.830 5.903 301 H GLY 41 H GLY 41 -4.266 5.593 4.857 302 1HA GLY 41 1HA GLY 41 -3.431 7.373 6.184 303 2HA GLY 41 2HA GLY 41 -2.159 6.279 6.753 304 H CYS 42 H CYS 42 -0.722 8.031 6.186 305 HA CYS 42 HA CYS 42 0.328 7.742 3.519 306 1HB CYS 42 1HB CYS 42 -1.258 9.610 3.274 307 2HB CYS 42 2HB CYS 42 -0.444 10.462 4.598 308 HA PRO 43 HA PRO 43 3.532 7.844 6.616 309 1HB PRO 43 1HB PRO 43 5.118 5.948 5.343 310 2HB PRO 43 2HB PRO 43 3.892 5.593 6.573 311 1HG PRO 43 1HG PRO 43 3.806 5.140 3.663 312 2HG PRO 43 2HG PRO 43 2.812 4.422 4.941 313 1HD PRO 43 2HD PRO 43 2.067 6.495 3.121 314 2HD PRO 43 1HD PRO 43 1.117 5.860 4.475 315 H LYS 44 H LYS 44 6.016 8.000 6.201 316 HA LYS 44 HA LYS 44 6.420 10.208 4.394 317 1HB LYS 44 1HB LYS 44 8.385 10.671 5.492 318 2HB LYS 44 2HB LYS 44 7.229 10.185 6.743 319 1HG LYS 44 1HG LYS 44 8.204 7.891 6.699 320 2HG LYS 44 2HG LYS 44 9.411 8.457 5.532 321 1HD LYS 44 1HD LYS 44 10.062 10.217 7.252 322 2HD LYS 44 2HD LYS 44 9.049 9.335 8.408 323 1HE LYS 44 1HE LYS 44 10.625 7.758 8.718 324 2HE LYS 44 2HE LYS 44 10.862 7.554 6.974 325 1HZ LYS 44 1HZ LYS 44 12.132 9.662 8.558 326 2HZ LYS 44 2HZ LYS 44 12.851 8.462 8.039 327 3HZ LYS 44 3HZ LYS 44 12.332 9.490 7.090 328 H VAL 45 H VAL 45 7.426 10.076 2.498 329 HA VAL 45 HA VAL 45 8.130 7.507 1.403 330 HB VAL 45 HB VAL 45 6.892 9.049 -0.014 331 1HG1 VAL 45 3HG1 VAL 45 7.469 11.122 1.049 332 2HG1 VAL 45 1HG1 VAL 45 9.122 11.015 0.427 333 3HG1 VAL 45 2HG1 VAL 45 7.765 11.209 -0.695 334 1HG2 VAL 45 3HG2 VAL 45 9.791 8.877 -0.916 335 2HG2 VAL 45 1HG2 VAL 45 8.563 7.623 -1.148 336 3HG2 VAL 45 2HG2 VAL 45 8.398 9.186 -1.966 337 H LYS 46 H LYS 46 9.950 6.630 1.798 338 HA LYS 46 HA LYS 46 12.298 8.227 2.438 339 1HB LYS 46 1HB LYS 46 12.705 6.737 3.932 340 2HB LYS 46 2HB LYS 46 11.295 5.797 3.414 341 1HG LYS 46 1HG LYS 46 12.741 4.785 1.612 342 2HG LYS 46 2HG LYS 46 14.130 5.592 2.358 343 1HD LYS 46 1HD LYS 46 12.748 4.258 4.444 344 2HD LYS 46 2HD LYS 46 12.861 3.112 3.098 345 1HE LYS 46 1HE LYS 46 15.269 4.701 3.981 346 2HE LYS 46 2HE LYS 46 14.812 3.205 4.812 347 1HZ LYS 46 1HZ LYS 46 15.403 3.366 1.950 348 2HZ LYS 46 2HZ LYS 46 16.322 2.763 2.958 349 3HZ LYS 46 3HZ LYS 46 15.019 2.106 2.651 350 HA PRO 47 HA PRO 47 14.063 7.540 -1.474 351 1HB PRO 47 1HB PRO 47 16.757 7.726 -0.826 352 2HB PRO 47 2HB PRO 47 15.671 9.102 -1.081 353 1HG PRO 47 1HG PRO 47 16.783 8.041 1.432 354 2HG PRO 47 2HG PRO 47 16.067 9.628 1.103 355 1HD PRO 47 2HD PRO 47 14.856 7.425 2.467 356 2HD PRO 47 1HD PRO 47 14.101 8.969 2.034 357 H GLY 48 H GLY 48 14.625 5.847 -2.689 358 1HA GLY 48 1HA GLY 48 15.791 3.876 -3.266 359 2HA GLY 48 2HA GLY 48 16.038 3.577 -1.536 360 H VAL 49 H VAL 49 13.138 4.316 -1.145 361 HA VAL 49 HA VAL 49 11.954 1.761 -1.978 362 HB VAL 49 HB VAL 49 11.547 3.289 0.572 363 1HG1 VAL 49 1HG1 VAL 49 10.193 0.763 -0.442 364 2HG1 VAL 49 2HG1 VAL 49 10.018 1.451 1.182 365 3HG1 VAL 49 3HG1 VAL 49 9.411 2.338 -0.226 366 1HG2 VAL 49 3HG2 VAL 49 12.755 0.593 0.016 367 2HG2 VAL 49 1HG2 VAL 49 13.610 2.060 0.525 368 3HG2 VAL 49 2HG2 VAL 49 12.446 1.289 1.616 369 H ASN 50 H ASN 50 9.938 1.823 -2.842 370 HA ASN 50 HA ASN 50 8.998 4.348 -3.868 371 1HB ASN 50 1HB ASN 50 7.662 1.664 -4.255 372 2HB ASN 50 2HB ASN 50 7.569 3.101 -5.289 373 1HD2 ASN 50 2HD2 ASN 50 9.781 1.445 -7.340 374 2HD2 ASN 50 1HD2 ASN 50 8.230 1.927 -7.074 375 H LEU 51 H LEU 51 7.282 5.403 -3.079 376 HA LEU 51 HA LEU 51 5.307 4.097 -1.394 377 1HB LEU 51 1HB LEU 51 6.936 4.674 0.189 378 2HB LEU 51 2HB LEU 51 6.993 6.344 -0.404 379 HG LEU 51 HG LEU 51 5.705 5.844 1.769 380 1HD1 LEU 51 1HD1 LEU 51 4.467 7.480 -0.413 381 2HD1 LEU 51 2HD1 LEU 51 4.105 7.597 1.316 382 3HD1 LEU 51 3HD1 LEU 51 5.729 7.983 0.724 383 1HD2 LEU 51 3HD2 LEU 51 3.650 4.964 -0.291 384 2HD2 LEU 51 1HD2 LEU 51 4.409 3.920 0.922 385 3HD2 LEU 51 2HD2 LEU 51 3.338 5.235 1.432 386 H ASN 52 H ASN 52 3.356 4.887 -1.809 387 HA ASN 52 HA ASN 52 3.062 7.501 -3.093 388 1HB ASN 52 1HB ASN 52 2.869 5.498 -4.705 389 2HB ASN 52 2HB ASN 52 1.359 5.125 -3.856 390 1HD2 ASN 52 2HD2 ASN 52 0.353 7.050 -6.703 391 2HD2 ASN 52 1HD2 ASN 52 0.945 5.560 -6.332 392 H CYS 53 H CYS 53 1.164 8.564 -2.550 393 HA CYS 53 HA CYS 53 -0.451 7.401 -0.386 394 1HB CYS 53 1HB CYS 53 0.491 10.209 -0.750 395 2HB CYS 53 2HB CYS 53 -0.867 9.769 0.299 396 H CYS 54 H CYS 54 -2.643 7.676 -0.547 397 HA CYS 54 HA CYS 54 -3.897 9.267 -2.561 398 1HB CYS 54 1HB CYS 54 -5.106 7.258 -3.541 399 2HB CYS 54 2HB CYS 54 -3.427 7.509 -4.051 400 NH1 ARG 55 NH2 ARG 55 -7.896 14.414 2.752 401 NH2 ARG 55 NH1 ARG 55 -5.751 15.151 2.272 402 H ARG 55 H ARG 55 -6.259 9.015 -2.437 403 HA ARG 55 HA ARG 55 -7.128 8.248 0.259 404 1HB ARG 55 1HB ARG 55 -7.936 10.683 -1.338 405 2HB ARG 55 2HB ARG 55 -8.755 10.132 0.136 406 1HG ARG 55 1HG ARG 55 -6.318 10.181 1.143 407 2HG ARG 55 2HG ARG 55 -6.006 11.298 -0.197 408 1HD ARG 55 1HD ARG 55 -8.275 12.398 0.704 409 2HD ARG 55 2HD ARG 55 -7.737 11.645 2.215 410 HE ARG 55 HE ARG 55 -5.585 13.029 1.048 411 1HH1 ARG 55 1HH2 ARG 55 -8.570 13.750 2.667 412 2HH1 ARG 55 2HH2 ARG 55 -8.066 15.203 3.252 413 1HH2 ARG 55 1HH1 ARG 55 -4.908 15.018 1.854 414 2HH2 ARG 55 2HH1 ARG 55 -5.913 15.943 2.771 415 H THR 56 H THR 56 -7.230 6.881 -2.385 416 HA THR 56 HA THR 56 -10.114 6.707 -2.836 417 HB THR 56 HB THR 56 -9.135 5.332 -4.895 418 HG1 THR 56 HG1 THR 56 -7.010 6.312 -5.452 419 1HG2 THR 56 1HG2 THR 56 -8.737 8.376 -4.646 420 2HG2 THR 56 2HG2 THR 56 -8.948 7.479 -6.160 421 3HG2 THR 56 3HG2 THR 56 -10.300 7.635 -5.027 422 H ASP 57 H ASP 57 -11.159 4.768 -2.679 423 HA ASP 57 HA ASP 57 -10.211 2.882 -0.793 424 1HB ASP 57 1HB ASP 57 -12.689 3.478 -2.096 425 2HB ASP 57 2HB ASP 57 -12.331 1.757 -2.323 426 NH1 ARG 58 NH2 ARG 58 -10.884 -5.791 -3.147 427 NH2 ARG 58 NH1 ARG 58 -13.110 -5.162 -3.290 428 H ARG 58 H ARG 58 -9.271 0.963 -1.130 429 HA ARG 58 HA ARG 58 -8.136 -0.751 -2.130 430 1HB ARG 58 1HB ARG 58 -10.638 -0.535 -3.463 431 2HB ARG 58 2HB ARG 58 -9.391 -0.849 -4.683 432 1HG ARG 58 1HG ARG 58 -8.568 -2.658 -2.964 433 2HG ARG 58 2HG ARG 58 -10.216 -2.524 -2.327 434 1HD ARG 58 1HD ARG 58 -10.064 -2.764 -5.267 435 2HD ARG 58 2HD ARG 58 -9.466 -4.181 -4.385 436 HE ARG 58 HE ARG 58 -12.189 -3.112 -4.276 437 1HH1 ARG 58 1HH2 ARG 58 -9.967 -5.592 -3.295 438 2HH1 ARG 58 2HH2 ARG 58 -11.133 -6.621 -2.756 439 1HH2 ARG 58 1HH1 ARG 58 -13.773 -4.526 -3.535 440 2HH2 ARG 58 2HH1 ARG 58 -13.367 -5.989 -2.900 441 H CYS 59 H CYS 59 -7.606 2.192 -2.723 442 HA CYS 59 HA CYS 59 -6.546 2.398 -5.346 443 1HB CYS 59 1HB CYS 59 -5.908 4.486 -4.874 444 2HB CYS 59 2HB CYS 59 -7.227 4.268 -3.712 445 H ASN 60 H ASN 60 -5.617 0.754 -2.587 446 HA ASN 60 HA ASN 60 -2.758 0.841 -3.064 447 1HB ASN 60 1HB ASN 60 -3.663 -1.201 -1.189 448 2HB ASN 60 2HB ASN 60 -2.557 0.158 -0.925 449 1HD2 ASN 60 2HD2 ASN 60 -4.773 1.694 1.129 450 2HD2 ASN 60 1HD2 ASN 60 -3.248 1.173 0.799 451 H ASN 61 H ASN 61 -2.896 -0.104 -5.174 452 HA ASN 61 HA ASN 61 -2.892 -3.008 -5.112 453 1HB ASN 61 1HB ASN 61 -4.285 -3.256 -7.040 454 2HB ASN 61 2HB ASN 61 -5.172 -2.230 -5.900 455 1HD2 ASN 61 2HD2 ASN 61 -5.296 -0.907 -9.371 456 2HD2 ASN 61 1HD2 ASN 61 -5.593 -2.375 -8.690 Start of MODEL 10 Raw file had 456 H/Q atoms Start of MODEL 10 1 1H LEU 1 3H LEU 1 -14.669 2.949 4.138 2 2H LEU 1 1H LEU 1 -13.780 3.433 5.232 3 3H LEU 1 2H LEU 1 -14.491 4.412 4.360 4 HA LEU 1 HA LEU 1 -13.228 3.795 2.400 5 1HB LEU 1 1HB LEU 1 -12.532 5.564 4.153 6 2HB LEU 1 2HB LEU 1 -11.200 4.428 4.427 7 HG LEU 1 HG LEU 1 -11.674 5.033 1.598 8 1HD1 LEU 1 3HD1 LEU 1 -12.215 7.249 2.544 9 2HD1 LEU 1 1HD1 LEU 1 -10.706 7.221 3.473 10 3HD1 LEU 1 2HD1 LEU 1 -10.656 7.279 1.703 11 1HD2 LEU 1 1HD2 LEU 1 -9.821 3.713 2.303 12 2HD2 LEU 1 2HD2 LEU 1 -9.265 5.223 1.563 13 3HD2 LEU 1 3HD2 LEU 1 -9.225 5.032 3.324 14 H GLU 2 H GLU 2 -13.052 1.732 1.750 15 HA GLU 2 HA GLU 2 -11.535 -0.201 3.326 16 1HB GLU 2 1HB GLU 2 -12.775 -1.839 2.492 17 2HB GLU 2 2HB GLU 2 -13.918 -0.533 2.134 18 1HG GLU 2 1HG GLU 2 -12.934 -0.325 -0.134 19 2HG GLU 2 2HG GLU 2 -11.848 -1.677 0.230 20 H CYS 3 H CYS 3 -9.578 -0.799 2.720 21 HA CYS 3 HA CYS 3 -8.610 -0.200 0.012 22 1HB CYS 3 1HB CYS 3 -7.437 0.593 2.590 23 2HB CYS 3 2HB CYS 3 -6.342 0.038 1.312 24 H HIS 4 H HIS 4 -6.634 -1.530 -0.438 25 HA HIS 4 HA HIS 4 -7.165 -4.285 0.089 26 1HB HIS 4 1HB HIS 4 -5.148 -2.778 -1.546 27 2HB HIS 4 2HB HIS 4 -4.880 -4.491 -1.182 28 HD2 HIS 4 HD2 HIS 4 -6.191 -2.641 -4.043 29 HE1 HIS 4 HE1 HIS 4 -8.757 -6.018 -3.842 30 H ASN 5 H ASN 5 -5.769 -5.767 1.024 31 HA ASN 5 HA ASN 5 -4.093 -4.640 3.158 32 1HB ASN 5 1HB ASN 5 -4.651 -6.894 4.313 33 2HB ASN 5 2HB ASN 5 -5.895 -5.631 4.307 34 1HD2 ASN 5 2HD2 ASN 5 -8.225 -7.378 2.553 35 2HD2 ASN 5 1HD2 ASN 5 -7.783 -6.022 3.372 36 H GLN 6 H GLN 6 -4.569 -7.180 0.805 37 HA GLN 6 HA GLN 6 -2.553 -8.945 1.252 38 1HB GLN 6 1HB GLN 6 -2.377 -9.007 -1.339 39 2HB GLN 6 2HB GLN 6 -3.832 -9.580 -0.504 40 1HG GLN 6 1HG GLN 6 -5.112 -7.834 -1.248 41 2HG GLN 6 2HG GLN 6 -3.756 -6.693 -1.231 42 1HE2 GLN 6 2HE2 GLN 6 -4.937 -7.587 -4.675 43 2HE2 GLN 6 1HE2 GLN 6 -5.725 -7.168 -3.293 44 H GLN 7 H GLN 7 -0.402 -9.076 0.614 45 HA GLN 7 HA GLN 7 0.943 -6.575 -0.115 46 1HB GLN 7 1HB GLN 7 2.069 -8.489 1.901 47 2HB GLN 7 2HB GLN 7 2.653 -6.876 1.456 48 1HG GLN 7 1HG GLN 7 1.114 -5.817 2.754 49 2HG GLN 7 2HG GLN 7 -0.158 -6.992 2.381 50 1HE2 GLN 7 2HE2 GLN 7 0.032 -8.241 5.535 51 2HE2 GLN 7 1HE2 GLN 7 -0.852 -7.593 4.307 52 H SER 8 H SER 8 2.987 -6.885 -1.134 53 HA SER 8 HA SER 8 4.410 -7.777 -2.687 54 1HB SER 8 1HB SER 8 3.785 -10.054 -0.902 55 2HB SER 8 2HB SER 8 4.535 -10.411 -2.468 56 HG SER 8 HG SER 8 6.147 -10.141 -0.756 57 H SER 9 H SER 9 2.700 -10.745 -2.736 58 HA SER 9 HA SER 9 1.156 -9.986 -5.097 59 1HB SER 9 1HB SER 9 2.803 -12.524 -4.921 60 2HB SER 9 2HB SER 9 1.855 -11.952 -6.305 61 HG SER 9 HG SER 9 4.174 -11.586 -6.609 62 H GLN 10 H GLN 10 0.226 -10.255 -2.512 63 HA GLN 10 HA GLN 10 -0.904 -12.816 -2.020 64 1HB GLN 10 1HB GLN 10 -0.787 -10.299 -0.648 65 2HB GLN 10 2HB GLN 10 -2.429 -10.967 -0.622 66 1HG GLN 10 1HG GLN 10 -1.835 -12.591 0.816 67 2HG GLN 10 2HG GLN 10 -0.421 -13.029 -0.158 68 1HE2 GLN 10 2HE2 GLN 10 1.869 -11.619 1.901 69 2HE2 GLN 10 1HE2 GLN 10 1.486 -12.620 0.655 70 HA PRO 11 HA PRO 11 -4.646 -12.536 -4.200 71 1HB PRO 11 1HB PRO 11 -6.602 -13.231 -2.353 72 2HB PRO 11 2HB PRO 11 -5.538 -14.374 -3.192 73 1HG PRO 11 1HG PRO 11 -5.473 -13.475 -0.388 74 2HG PRO 11 2HG PRO 11 -4.723 -14.899 -1.128 75 1HD PRO 11 2HD PRO 11 -3.441 -12.460 -0.365 76 2HD PRO 11 1HD PRO 11 -2.715 -13.837 -1.213 77 HA PRO 12 HA PRO 12 -6.760 -8.759 -3.662 78 1HB PRO 12 1HB PRO 12 -9.283 -9.310 -4.683 79 2HB PRO 12 2HB PRO 12 -7.849 -9.000 -5.676 80 1HG PRO 12 1HG PRO 12 -9.254 -11.538 -5.167 81 2HG PRO 12 2HG PRO 12 -8.114 -11.124 -6.460 82 1HD PRO 12 2HD PRO 12 -7.595 -12.682 -4.117 83 2HD PRO 12 1HD PRO 12 -6.429 -12.170 -5.350 84 H THR 13 H THR 13 -6.874 -8.384 -1.557 85 HA THR 13 HA THR 13 -9.373 -9.083 -0.197 86 HB THR 13 HB THR 13 -7.789 -9.147 1.905 87 HG1 THR 13 HG1 THR 13 -5.637 -9.967 1.210 88 1HG2 THR 13 3HG2 THR 13 -8.972 -11.198 0.868 89 2HG2 THR 13 1HG2 THR 13 -7.603 -11.342 -0.247 90 3HG2 THR 13 2HG2 THR 13 -7.356 -11.572 1.492 91 H THR 14 H THR 14 -10.279 -7.479 0.968 92 HA THR 14 HA THR 14 -8.872 -4.950 1.369 93 HB THR 14 HB THR 14 -11.683 -4.728 0.479 94 HG1 THR 14 HG1 THR 14 -10.861 -5.040 -1.867 95 1HG2 THR 14 1HG2 THR 14 -9.136 -3.352 -0.435 96 2HG2 THR 14 2HG2 THR 14 -10.785 -2.886 -0.884 97 3HG2 THR 14 3HG2 THR 14 -10.252 -2.746 0.800 98 H LYS 15 H LYS 15 -10.009 -3.512 2.811 99 HA LYS 15 HA LYS 15 -11.986 -4.557 4.593 100 1HB LYS 15 1HB LYS 15 -10.785 -4.905 6.517 101 2HB LYS 15 2HB LYS 15 -9.908 -5.767 5.241 102 1HG LYS 15 1HG LYS 15 -8.641 -3.397 5.098 103 2HG LYS 15 2HG LYS 15 -9.122 -3.355 6.803 104 1HD LYS 15 1HD LYS 15 -8.069 -5.586 7.123 105 2HD LYS 15 2HD LYS 15 -7.530 -5.549 5.435 106 1HE LYS 15 1HE LYS 15 -5.638 -4.743 6.499 107 2HE LYS 15 2HE LYS 15 -6.486 -3.225 6.158 108 1HZ LYS 15 1HZ LYS 15 -6.592 -4.608 8.735 109 2HZ LYS 15 2HZ LYS 15 -5.816 -3.359 8.492 110 3HZ LYS 15 3HZ LYS 15 -7.307 -3.331 8.447 111 H THR 16 H THR 16 -12.690 -2.962 6.060 112 HA THR 16 HA THR 16 -12.248 -0.249 5.175 113 HB THR 16 HB THR 16 -14.286 -1.573 6.953 114 HG1 THR 16 HG1 THR 16 -15.631 -0.779 5.125 115 1HG2 THR 16 1HG2 THR 16 -14.081 1.367 6.062 116 2HG2 THR 16 2HG2 THR 16 -15.409 0.658 6.997 117 3HG2 THR 16 3HG2 THR 16 -13.809 0.844 7.733 118 H CYS 17 H CYS 17 -10.889 1.070 6.137 119 HA CYS 17 HA CYS 17 -9.624 0.354 8.640 120 1HB CYS 17 1HB CYS 17 -9.076 2.492 6.587 121 2HB CYS 17 2HB CYS 17 -8.279 2.474 8.169 122 H SER 18 H SER 18 -9.618 1.678 10.434 123 HA SER 18 HA SER 18 -11.876 3.548 10.614 124 1HB SER 18 1HB SER 18 -11.333 1.207 12.146 125 2HB SER 18 2HB SER 18 -11.239 2.631 13.195 126 HG SER 18 HG SER 18 -13.426 1.724 13.123 127 H GLY 19 H GLY 19 -11.547 5.416 11.766 128 1HA GLY 19 1HA GLY 19 -10.462 7.096 12.922 129 2HA GLY 19 2HA GLY 19 -9.091 5.993 13.132 130 H GLU 20 H GLU 20 -8.403 5.358 10.628 131 HA GLU 20 HA GLU 20 -7.368 7.861 9.574 132 1HB GLU 20 1HB GLU 20 -5.814 5.938 10.047 133 2HB GLU 20 2HB GLU 20 -6.637 5.029 8.768 134 1HG GLU 20 1HG GLU 20 -4.473 6.290 8.143 135 2HG GLU 20 2HG GLU 20 -5.877 6.485 7.080 136 H THR 21 H THR 21 -7.912 8.720 7.737 137 HA THR 21 HA THR 21 -9.853 7.312 6.044 138 HB THR 21 HB THR 21 -10.844 9.501 5.569 139 HG1 THR 21 HG1 THR 21 -9.954 11.369 6.794 140 1HG2 THR 21 3HG2 THR 21 -11.546 8.321 7.758 141 2HG2 THR 21 1HG2 THR 21 -10.263 9.225 8.580 142 3HG2 THR 21 2HG2 THR 21 -11.635 10.087 7.865 143 H ASN 22 H ASN 22 -7.160 6.923 5.642 144 HA ASN 22 HA ASN 22 -6.803 8.038 2.989 145 1HB ASN 22 1HB ASN 22 -4.731 8.255 5.193 146 2HB ASN 22 2HB ASN 22 -4.378 8.493 3.473 147 1HD2 ASN 22 2HD2 ASN 22 -6.685 11.155 5.562 148 2HD2 ASN 22 1HD2 ASN 22 -6.558 9.581 6.026 149 H CYS 23 H CYS 23 -4.896 6.916 1.944 150 HA CYS 23 HA CYS 23 -4.172 4.327 3.001 151 1HB CYS 23 1HB CYS 23 -5.722 4.658 0.425 152 2HB CYS 23 2HB CYS 23 -4.831 3.192 0.871 153 OH TYR 24 OH TYR 24 1.899 1.046 5.666 154 H TYR 24 H TYR 24 -2.323 3.529 2.116 155 HA TYR 24 HA TYR 24 -0.952 5.099 0.078 156 1HB TYR 24 1HB TYR 24 0.942 5.411 1.517 157 2HB TYR 24 2HB TYR 24 -0.451 5.739 2.561 158 HD1 TYR 24 HD1 TYR 24 2.296 3.414 1.830 159 HD2 TYR 24 HD2 TYR 24 -1.061 4.207 4.348 160 HE1 TYR 24 HE1 TYR 24 3.104 1.658 3.473 161 HE2 TYR 24 HE2 TYR 24 -0.241 2.448 5.982 162 HH TYR 24 HH TYR 24 1.211 0.985 6.504 163 H LYS 25 H LYS 25 0.786 3.993 -0.910 164 HA LYS 25 HA LYS 25 0.907 1.095 -0.478 165 1HB LYS 25 1HB LYS 25 1.178 1.109 -3.099 166 2HB LYS 25 2HB LYS 25 -0.369 0.903 -2.258 167 1HG LYS 25 1HG LYS 25 -1.037 3.112 -2.688 168 2HG LYS 25 2HG LYS 25 0.620 3.649 -3.013 169 1HD LYS 25 1HD LYS 25 0.626 2.790 -5.162 170 2HD LYS 25 2HD LYS 25 -0.590 1.557 -4.786 171 1HE LYS 25 1HE LYS 25 -2.023 2.933 -5.872 172 2HE LYS 25 2HE LYS 25 -2.002 3.876 -4.371 173 1HZ LYS 25 1HZ LYS 25 -0.256 4.412 -6.658 174 2HZ LYS 25 2HZ LYS 25 -1.430 5.255 -6.290 175 3HZ LYS 25 3HZ LYS 25 -0.239 5.204 -5.395 176 H LYS 26 H LYS 26 2.911 0.225 -0.749 177 HA LYS 26 HA LYS 26 5.128 1.914 -1.625 178 1HB LYS 26 1HB LYS 26 6.370 0.807 0.404 179 2HB LYS 26 2HB LYS 26 5.525 2.361 0.499 180 1HG LYS 26 1HG LYS 26 3.637 1.390 1.560 181 2HG LYS 26 2HG LYS 26 4.148 -0.254 1.140 182 1HD LYS 26 1HD LYS 26 5.607 1.602 3.049 183 2HD LYS 26 2HD LYS 26 4.548 0.265 3.530 184 1HE LYS 26 1HE LYS 26 6.083 -1.255 2.164 185 2HE LYS 26 2HE LYS 26 7.206 0.114 2.084 186 1HZ LYS 26 1HZ LYS 26 6.295 -1.106 4.584 187 2HZ LYS 26 2HZ LYS 26 7.661 -1.294 4.015 188 3HZ LYS 26 3HZ LYS 26 7.239 0.046 4.517 189 CH2 TRP 27 CH2 TRP 27 4.444 3.452 -5.855 190 H TRP 27 H TRP 27 6.714 0.791 -2.642 191 HA TRP 27 HA TRP 27 6.796 -2.108 -2.633 192 1HB TRP 27 1HB TRP 27 6.598 -2.366 -4.989 193 2HB TRP 27 2HB TRP 27 5.126 -1.667 -4.291 194 HD1 TRP 27 HD1 TRP 27 7.605 -1.058 -7.023 195 HE1 TRP 27 HE1 TRP 27 7.161 1.198 -8.141 196 HE3 TRP 27 HE3 TRP 27 4.344 0.821 -3.618 197 HZ2 TRP 27 HZ2 TRP 27 5.623 3.530 -7.684 198 HZ3 TRP 27 HZ3 TRP 27 3.417 3.096 -4.031 199 HH2 TRP 27 HH2 TRP 27 4.007 4.437 -5.980 200 CH2 TRP 28 CH2 TRP 28 9.345 -4.640 1.437 201 H TRP 28 H TRP 28 8.745 -2.849 -3.701 202 HA TRP 28 HA TRP 28 10.790 -0.991 -4.500 203 1HB TRP 28 1HB TRP 28 12.311 -1.251 -2.808 204 2HB TRP 28 2HB TRP 28 10.771 -0.904 -2.003 205 HD1 TRP 28 HD1 TRP 28 13.272 -3.798 -2.509 206 HE1 TRP 28 HE1 TRP 28 12.822 -5.581 -0.732 207 HE3 TRP 28 HE3 TRP 28 9.040 -1.816 -0.528 208 HZ2 TRP 28 HZ2 TRP 28 10.921 -6.134 1.290 209 HZ3 TRP 28 HZ3 TRP 28 7.949 -3.042 1.346 210 HH2 TRP 28 HH2 TRP 28 8.826 -5.128 2.256 211 H SER 29 H SER 29 12.207 -2.022 -5.795 212 HA SER 29 HA SER 29 11.750 -4.831 -6.382 213 1HB SER 29 1HB SER 29 13.262 -4.365 -8.348 214 2HB SER 29 2HB SER 29 11.746 -3.447 -8.334 215 HG SER 29 HG SER 29 13.590 -2.104 -8.967 216 H ASP 30 H ASP 30 13.186 -6.383 -6.083 217 HA ASP 30 HA ASP 30 15.543 -5.774 -4.476 218 1HB ASP 30 1HB ASP 30 15.617 -8.198 -4.049 219 2HB ASP 30 2HB ASP 30 14.067 -7.484 -3.573 220 H HIS 31 H HIS 31 17.079 -7.942 -5.034 221 HA HIS 31 HA HIS 31 18.674 -7.238 -7.133 222 1HB HIS 31 1HB HIS 31 18.512 -9.453 -5.348 223 2HB HIS 31 2HB HIS 31 18.988 -9.970 -6.975 224 HD2 HIS 31 HD2 HIS 31 20.334 -7.647 -4.092 225 HE1 HIS 31 HE1 HIS 31 23.464 -8.304 -6.884 226 NH1 ARG 32 NH2 ARG 32 20.187 -14.201 -12.238 227 NH2 ARG 32 NH1 ARG 32 18.565 -14.536 -13.860 228 H ARG 32 H ARG 32 16.442 -9.995 -7.161 229 HA ARG 32 HA ARG 32 15.795 -9.441 -9.955 230 1HB ARG 32 1HB ARG 32 16.962 -11.943 -8.808 231 2HB ARG 32 2HB ARG 32 15.720 -12.103 -10.061 232 1HG ARG 32 1HG ARG 32 17.018 -10.949 -11.659 233 2HG ARG 32 2HG ARG 32 18.093 -10.273 -10.424 234 1HD ARG 32 1HD ARG 32 19.497 -11.960 -10.969 235 2HD ARG 32 2HD ARG 32 18.389 -12.999 -10.057 236 HE ARG 32 HE ARG 32 17.291 -12.903 -12.541 237 1HH1 ARG 32 1HH2 ARG 32 20.470 -13.768 -11.441 238 2HH1 ARG 32 2HH2 ARG 32 20.763 -14.820 -12.672 239 1HH2 ARG 32 1HH1 ARG 32 17.705 -14.346 -14.216 240 2HH2 ARG 32 2HH1 ARG 32 19.135 -15.156 -14.299 241 H GLY 33 H GLY 33 14.131 -8.603 -8.148 242 1HA GLY 33 1HA GLY 33 11.756 -10.092 -8.601 243 2HA GLY 33 2HA GLY 33 12.281 -10.180 -6.911 244 H THR 34 H THR 34 9.981 -9.099 -7.059 245 HA THR 34 HA THR 34 10.380 -6.251 -6.588 246 HB THR 34 HB THR 34 8.356 -7.476 -8.517 247 HG1 THR 34 HG1 THR 34 9.478 -5.926 -9.973 248 1HG2 THR 34 1HG2 THR 34 8.726 -4.547 -7.646 249 2HG2 THR 34 2HG2 THR 34 7.555 -5.133 -8.839 250 3HG2 THR 34 3HG2 THR 34 7.355 -5.542 -7.128 251 H ILE 35 H ILE 35 9.757 -5.796 -4.692 252 HA ILE 35 HA ILE 35 7.828 -7.484 -3.304 253 HB ILE 35 HB ILE 35 9.782 -5.490 -2.242 254 1HG1 ILE 35 1HG1 ILE 35 10.332 -7.847 -1.064 255 2HG1 ILE 35 2HG1 ILE 35 9.689 -8.446 -2.602 256 1HG2 ILE 35 1HG2 ILE 35 7.734 -7.095 -0.758 257 2HG2 ILE 35 2HG2 ILE 35 9.064 -6.172 -0.038 258 3HG2 ILE 35 3HG2 ILE 35 7.792 -5.334 -0.945 259 1HD1 ILE 35 1HD1 ILE 35 11.949 -6.438 -2.289 260 2HD1 ILE 35 2HD1 ILE 35 12.135 -8.145 -2.722 261 3HD1 ILE 35 3HD1 ILE 35 11.306 -7.037 -3.827 262 H ILE 36 H ILE 36 5.929 -6.692 -2.555 263 HA ILE 36 HA ILE 36 5.226 -3.902 -3.103 264 HB ILE 36 HB ILE 36 3.486 -6.331 -3.645 265 1HG1 ILE 36 1HG1 ILE 36 4.500 -4.288 -5.635 266 2HG1 ILE 36 2HG1 ILE 36 5.363 -5.801 -5.303 267 1HG2 ILE 36 3HG2 ILE 36 2.158 -4.564 -2.762 268 2HG2 ILE 36 1HG2 ILE 36 2.830 -3.423 -3.939 269 3HG2 ILE 36 2HG2 ILE 36 1.835 -4.783 -4.490 270 1HD1 ILE 36 1HD1 ILE 36 2.493 -5.575 -6.280 271 2HD1 ILE 36 2HD1 ILE 36 3.889 -6.034 -7.269 272 3HD1 ILE 36 3HD1 ILE 36 3.355 -7.087 -5.949 273 H GLU 37 H GLU 37 3.737 -2.969 -1.773 274 HA GLU 37 HA GLU 37 2.836 -4.353 0.593 275 1HB GLU 37 1HB GLU 37 5.118 -3.789 1.198 276 2HB GLU 37 2HB GLU 37 4.784 -2.080 0.869 277 1HG GLU 37 1HG GLU 37 4.460 -2.223 3.179 278 2HG GLU 37 2HG GLU 37 2.813 -2.397 2.549 279 NH1 ARG 38 NH2 ARG 38 -2.091 -4.902 -2.284 280 NH2 ARG 38 NH1 ARG 38 -1.890 -4.637 -4.577 281 H ARG 38 H ARG 38 1.143 -3.327 1.557 282 HA ARG 38 HA ARG 38 0.339 -0.675 0.664 283 1HB ARG 38 1HB ARG 38 -1.284 -3.205 0.375 284 2HB ARG 38 2HB ARG 38 -2.057 -1.616 0.505 285 1HG ARG 38 1HG ARG 38 -1.858 -1.908 -1.809 286 2HG ARG 38 2HG ARG 38 -0.433 -0.932 -1.413 287 1HD ARG 38 1HD ARG 38 1.001 -2.587 -1.994 288 2HD ARG 38 2HD ARG 38 0.023 -3.834 -1.200 289 HE ARG 38 HE ARG 38 -0.134 -3.033 -3.970 290 1HH1 ARG 38 1HH2 ARG 38 -1.809 -4.671 -1.407 291 2HH1 ARG 38 2HH2 ARG 38 -2.784 -5.540 -2.407 292 1HH2 ARG 38 1HH1 ARG 38 -1.474 -4.225 -5.326 293 2HH2 ARG 38 2HH1 ARG 38 -2.582 -5.273 -4.710 294 H GLY 39 H GLY 39 -1.469 0.150 1.965 295 1HA GLY 39 1HA GLY 39 -2.352 -0.939 4.366 296 2HA GLY 39 2HA GLY 39 -0.913 0.038 4.701 297 H CYS 40 H CYS 40 -2.802 1.064 5.965 298 HA CYS 40 HA CYS 40 -4.237 3.046 4.350 299 1HB CYS 40 1HB CYS 40 -4.835 1.769 6.946 300 2HB CYS 40 2HB CYS 40 -5.398 3.420 6.639 301 H GLY 41 H GLY 41 -4.185 5.222 5.093 302 1HA GLY 41 1HA GLY 41 -3.392 7.014 6.430 303 2HA GLY 41 2HA GLY 41 -2.062 5.965 6.951 304 H CYS 42 H CYS 42 -0.691 7.753 6.385 305 HA CYS 42 HA CYS 42 0.249 7.593 3.658 306 1HB CYS 42 1HB CYS 42 -1.327 9.468 3.569 307 2HB CYS 42 2HB CYS 42 -0.499 10.232 4.936 308 HA PRO 43 HA PRO 43 3.613 7.561 6.628 309 1HB PRO 43 1HB PRO 43 5.062 5.624 5.266 310 2HB PRO 43 2HB PRO 43 3.884 5.277 6.545 311 1HG PRO 43 1HG PRO 43 3.657 4.871 3.636 312 2HG PRO 43 2HG PRO 43 2.705 4.154 4.947 313 1HD PRO 43 2HD PRO 43 1.926 6.274 3.193 314 2HD PRO 43 1HD PRO 43 1.023 5.639 4.578 315 H LYS 44 H LYS 44 5.998 7.763 6.197 316 HA LYS 44 HA LYS 44 6.371 9.908 4.303 317 1HB LYS 44 1HB LYS 44 8.360 10.417 5.379 318 2HB LYS 44 2HB LYS 44 7.158 10.053 6.630 319 1HG LYS 44 1HG LYS 44 8.138 7.629 6.494 320 2HG LYS 44 2HG LYS 44 9.529 8.425 5.741 321 1HD LYS 44 1HD LYS 44 8.405 9.473 8.330 322 2HD LYS 44 2HD LYS 44 9.498 8.079 8.333 323 1HE LYS 44 1HE LYS 44 11.096 9.510 6.941 324 2HE LYS 44 2HE LYS 44 10.058 10.887 7.350 325 1HZ LYS 44 3HZ LYS 44 10.550 10.383 9.681 326 2HZ LYS 44 1HZ LYS 44 11.423 9.225 9.336 327 3HZ LYS 44 2HZ LYS 44 11.845 10.610 8.978 328 H VAL 45 H VAL 45 7.534 9.770 2.477 329 HA VAL 45 HA VAL 45 8.131 7.193 1.369 330 HB VAL 45 HB VAL 45 7.104 8.702 -0.089 331 1HG1 VAL 45 1HG1 VAL 45 9.396 10.617 0.481 332 2HG1 VAL 45 2HG1 VAL 45 8.101 10.875 -0.701 333 3HG1 VAL 45 3HG1 VAL 45 7.723 10.816 1.029 334 1HG2 VAL 45 3HG2 VAL 45 10.009 8.438 -0.819 335 2HG2 VAL 45 1HG2 VAL 45 8.727 7.248 -1.100 336 3HG2 VAL 45 2HG2 VAL 45 8.682 8.811 -1.932 337 H LYS 46 H LYS 46 9.945 6.225 1.941 338 HA LYS 46 HA LYS 46 12.293 7.675 2.804 339 1HB LYS 46 1HB LYS 46 11.341 4.923 3.073 340 2HB LYS 46 2HB LYS 46 13.094 5.165 2.969 341 1HG LYS 46 1HG LYS 46 12.590 7.108 4.705 342 2HG LYS 46 2HG LYS 46 11.152 6.128 5.041 343 1HD LYS 46 1HD LYS 46 13.368 4.349 4.913 344 2HD LYS 46 2HD LYS 46 13.856 5.720 5.924 345 1HE LYS 46 1HE LYS 46 11.600 5.406 7.127 346 2HE LYS 46 2HE LYS 46 11.526 3.833 6.312 347 1HZ LYS 46 1HZ LYS 46 13.692 4.642 8.106 348 2HZ LYS 46 2HZ LYS 46 12.629 3.661 8.471 349 3HZ LYS 46 3HZ LYS 46 13.630 3.319 7.420 350 HA PRO 47 HA PRO 47 14.353 7.362 -1.038 351 1HB PRO 47 1HB PRO 47 16.989 7.285 -0.166 352 2HB PRO 47 2HB PRO 47 16.016 8.762 -0.283 353 1HG PRO 47 1HG PRO 47 16.860 7.264 2.109 354 2HG PRO 47 2HG PRO 47 16.276 8.932 1.975 355 1HD PRO 47 2HD PRO 47 14.822 6.652 2.907 356 2HD PRO 47 1HD PRO 47 14.205 8.295 2.663 357 H GLY 48 H GLY 48 14.504 5.753 -2.344 358 1HA GLY 48 1HA GLY 48 15.650 3.823 -3.187 359 2HA GLY 48 2HA GLY 48 15.832 3.283 -1.509 360 H VAL 49 H VAL 49 13.180 3.830 -0.699 361 HA VAL 49 HA VAL 49 11.787 1.591 -1.948 362 HB VAL 49 HB VAL 49 11.356 2.923 0.707 363 1HG1 VAL 49 3HG1 VAL 49 9.241 2.214 -0.182 364 2HG1 VAL 49 1HG1 VAL 49 9.896 0.607 -0.535 365 3HG1 VAL 49 2HG1 VAL 49 9.751 1.155 1.144 366 1HG2 VAL 49 1HG2 VAL 49 13.390 1.527 0.580 367 2HG2 VAL 49 2HG2 VAL 49 12.149 0.758 1.583 368 3HG2 VAL 49 3HG2 VAL 49 12.430 0.187 -0.069 369 H ASN 50 H ASN 50 9.845 1.852 -2.908 370 HA ASN 50 HA ASN 50 9.052 4.500 -3.703 371 1HB ASN 50 1HB ASN 50 7.600 1.928 -4.356 372 2HB ASN 50 2HB ASN 50 7.585 3.457 -5.253 373 1HD2 ASN 50 2HD2 ASN 50 9.758 1.880 -7.411 374 2HD2 ASN 50 1HD2 ASN 50 8.221 2.391 -7.124 375 H LEU 51 H LEU 51 7.372 5.576 -2.867 376 HA LEU 51 HA LEU 51 5.351 4.220 -1.258 377 1HB LEU 51 1HB LEU 51 7.025 4.843 0.299 378 2HB LEU 51 2HB LEU 51 6.942 6.527 -0.248 379 HG LEU 51 HG LEU 51 5.755 5.965 1.923 380 1HD1 LEU 51 1HD1 LEU 51 4.104 7.155 -0.336 381 2HD1 LEU 51 2HD1 LEU 51 3.811 7.392 1.395 382 3HD1 LEU 51 3HD1 LEU 51 5.287 8.030 0.651 383 1HD2 LEU 51 3HD2 LEU 51 3.840 4.556 0.097 384 2HD2 LEU 51 1HD2 LEU 51 4.860 3.831 1.352 385 3HD2 LEU 51 2HD2 LEU 51 3.563 4.951 1.802 386 H ASN 52 H ASN 52 3.388 4.995 -1.667 387 HA ASN 52 HA ASN 52 3.064 7.612 -2.932 388 1HB ASN 52 1HB ASN 52 2.885 5.427 -4.461 389 2HB ASN 52 2HB ASN 52 1.253 5.388 -3.773 390 1HD2 ASN 52 2HD2 ASN 52 1.768 7.481 -6.935 391 2HD2 ASN 52 1HD2 ASN 52 2.477 6.070 -6.470 392 H CYS 53 H CYS 53 1.278 8.695 -2.245 393 HA CYS 53 HA CYS 53 -0.371 7.457 -0.154 394 1HB CYS 53 1HB CYS 53 0.501 10.287 -0.519 395 2HB CYS 53 2HB CYS 53 -0.856 9.818 0.520 396 H CYS 54 H CYS 54 -2.575 7.693 -0.305 397 HA CYS 54 HA CYS 54 -3.870 9.239 -2.325 398 1HB CYS 54 1HB CYS 54 -5.051 7.108 -3.205 399 2HB CYS 54 2HB CYS 54 -3.462 7.549 -3.854 400 NH1 ARG 55 NH2 ARG 55 -5.881 14.245 2.903 401 NH2 ARG 55 NH1 ARG 55 -7.010 13.313 4.701 402 H ARG 55 H ARG 55 -6.186 9.077 -2.143 403 HA ARG 55 HA ARG 55 -7.069 8.177 0.508 404 1HB ARG 55 1HB ARG 55 -7.841 10.721 -0.931 405 2HB ARG 55 2HB ARG 55 -8.611 10.114 0.545 406 1HG ARG 55 1HG ARG 55 -6.463 10.238 1.731 407 2HG ARG 55 2HG ARG 55 -5.672 10.812 0.253 408 1HD ARG 55 1HD ARG 55 -6.165 12.908 0.900 409 2HD ARG 55 2HD ARG 55 -7.873 12.523 0.622 410 HE ARG 55 HE ARG 55 -7.819 11.714 3.022 411 1HH1 ARG 55 1HH2 ARG 55 -5.670 14.235 1.978 412 2HH1 ARG 55 2HH2 ARG 55 -5.511 14.913 3.469 413 1HH2 ARG 55 1HH1 ARG 55 -7.593 12.652 5.055 414 2HH2 ARG 55 2HH1 ARG 55 -6.643 13.978 5.273 415 H THR 56 H THR 56 -7.225 7.014 -2.245 416 HA THR 56 HA THR 56 -10.128 6.916 -2.649 417 HB THR 56 HB THR 56 -9.210 5.666 -4.822 418 HG1 THR 56 HG1 THR 56 -6.999 6.477 -5.308 419 1HG2 THR 56 1HG2 THR 56 -8.539 8.641 -4.399 420 2HG2 THR 56 2HG2 THR 56 -8.814 7.854 -5.961 421 3HG2 THR 56 3HG2 THR 56 -10.159 8.070 -4.829 422 H ASP 57 H ASP 57 -11.230 5.047 -2.713 423 HA ASP 57 HA ASP 57 -10.471 3.068 -0.852 424 1HB ASP 57 1HB ASP 57 -12.802 3.700 -2.456 425 2HB ASP 57 2HB ASP 57 -12.457 1.963 -2.500 426 NH1 ARG 58 NH2 ARG 58 -12.538 -1.368 -4.646 427 NH2 ARG 58 NH1 ARG 58 -12.297 -1.595 -6.941 428 H ARG 58 H ARG 58 -9.371 1.259 -1.171 429 HA ARG 58 HA ARG 58 -8.172 -0.433 -2.128 430 1HB ARG 58 1HB ARG 58 -10.583 -0.632 -3.272 431 2HB ARG 58 2HB ARG 58 -9.657 -0.155 -4.706 432 1HG ARG 58 1HG ARG 58 -8.328 -2.074 -4.647 433 2HG ARG 58 2HG ARG 58 -8.642 -2.360 -2.928 434 1HD ARG 58 1HD ARG 58 -9.836 -4.014 -4.279 435 2HD ARG 58 2HD ARG 58 -10.997 -2.939 -3.481 436 HE ARG 58 HE ARG 58 -10.347 -2.959 -6.331 437 1HH1 ARG 58 1HH2 ARG 58 -12.231 -1.564 -3.769 438 2HH1 ARG 58 2HH2 ARG 58 -13.308 -0.825 -4.771 439 1HH2 ARG 58 1HH1 ARG 58 -11.828 -1.946 -7.689 440 2HH2 ARG 58 2HH1 ARG 58 -13.066 -1.054 -7.074 441 H CYS 59 H CYS 59 -7.417 2.355 -2.440 442 HA CYS 59 HA CYS 59 -6.318 2.772 -5.037 443 1HB CYS 59 1HB CYS 59 -5.499 4.747 -4.325 444 2HB CYS 59 2HB CYS 59 -6.939 4.538 -3.313 445 H ASN 60 H ASN 60 -5.592 0.733 -2.529 446 HA ASN 60 HA ASN 60 -2.709 0.719 -2.901 447 1HB ASN 60 1HB ASN 60 -3.798 -1.451 -1.282 448 2HB ASN 60 2HB ASN 60 -2.605 -0.214 -0.851 449 1HD2 ASN 60 2HD2 ASN 60 -4.743 1.301 1.295 450 2HD2 ASN 60 1HD2 ASN 60 -3.245 0.737 0.921 451 H ASN 61 H ASN 61 -2.822 0.013 -5.096 452 HA ASN 61 HA ASN 61 -2.974 -2.869 -5.360 453 1HB ASN 61 1HB ASN 61 -4.370 -2.849 -7.302 454 2HB ASN 61 2HB ASN 61 -5.216 -1.909 -6.060 455 1HD2 ASN 61 2HD2 ASN 61 -5.050 -0.300 -9.481 456 2HD2 ASN 61 1HD2 ASN 61 -5.311 -1.856 -9.016 Start of MODEL 11 Raw file had 456 H/Q atoms Start of MODEL 11 1 1H LEU 1 2H LEU 1 -14.726 2.482 4.465 2 2H LEU 1 3H LEU 1 -13.795 2.984 5.517 3 3H LEU 1 1H LEU 1 -14.587 3.949 4.699 4 HA LEU 1 HA LEU 1 -13.417 3.401 2.666 5 1HB LEU 1 1HB LEU 1 -12.541 5.065 4.580 6 2HB LEU 1 2HB LEU 1 -11.222 3.883 4.608 7 HG LEU 1 HG LEU 1 -12.007 4.976 1.958 8 1HD1 LEU 1 1HD1 LEU 1 -10.583 6.674 3.972 9 2HD1 LEU 1 2HD1 LEU 1 -10.727 7.005 2.237 10 3HD1 LEU 1 3HD1 LEU 1 -12.177 6.964 3.254 11 1HD2 LEU 1 3HD2 LEU 1 -9.343 4.427 3.315 12 2HD2 LEU 1 1HD2 LEU 1 -10.175 3.335 2.195 13 3HD2 LEU 1 2HD2 LEU 1 -9.564 4.895 1.622 14 H GLU 2 H GLU 2 -13.077 1.634 1.701 15 HA GLU 2 HA GLU 2 -11.800 -0.601 3.067 16 1HB GLU 2 1HB GLU 2 -14.016 -0.598 1.550 17 2HB GLU 2 2HB GLU 2 -12.791 -1.016 0.340 18 1HG GLU 2 1HG GLU 2 -11.961 -2.812 1.858 19 2HG GLU 2 2HG GLU 2 -13.276 -2.428 2.984 20 H CYS 3 H CYS 3 -9.715 -0.863 2.789 21 HA CYS 3 HA CYS 3 -8.451 -0.063 0.268 22 1HB CYS 3 1HB CYS 3 -7.209 0.045 3.025 23 2HB CYS 3 2HB CYS 3 -6.410 0.457 1.497 24 H HIS 4 H HIS 4 -6.538 -1.305 -0.241 25 HA HIS 4 HA HIS 4 -7.047 -4.101 0.002 26 1HB HIS 4 1HB HIS 4 -4.887 -2.475 -1.338 27 2HB HIS 4 2HB HIS 4 -4.810 -4.245 -1.254 28 HD2 HIS 4 HD2 HIS 4 -6.188 -1.570 -3.545 29 HE1 HIS 4 HE1 HIS 4 -8.375 -5.092 -4.461 30 H ASN 5 H ASN 5 -5.676 -5.658 0.842 31 HA ASN 5 HA ASN 5 -4.036 -4.735 3.097 32 1HB ASN 5 1HB ASN 5 -4.693 -7.005 4.123 33 2HB ASN 5 2HB ASN 5 -5.928 -5.733 4.118 34 1HD2 ASN 5 2HD2 ASN 5 -8.209 -7.436 2.271 35 2HD2 ASN 5 1HD2 ASN 5 -7.802 -6.142 3.201 36 H GLN 6 H GLN 6 -4.561 -7.101 0.578 37 HA GLN 6 HA GLN 6 -2.538 -8.909 0.987 38 1HB GLN 6 1HB GLN 6 -2.435 -8.992 -1.596 39 2HB GLN 6 2HB GLN 6 -3.966 -9.413 -0.811 40 1HG GLN 6 1HG GLN 6 -5.028 -7.518 -1.553 41 2HG GLN 6 2HG GLN 6 -3.544 -6.549 -1.533 42 1HE2 GLN 6 2HE2 GLN 6 -4.745 -7.235 -4.987 43 2HE2 GLN 6 1HE2 GLN 6 -5.459 -6.666 -3.618 44 H GLN 7 H GLN 7 -0.449 -9.101 0.218 45 HA GLN 7 HA GLN 7 0.944 -6.623 -0.463 46 1HB GLN 7 1HB GLN 7 1.844 -8.492 1.714 47 2HB GLN 7 2HB GLN 7 2.709 -7.066 1.117 48 1HG GLN 7 1HG GLN 7 1.238 -5.586 2.104 49 2HG GLN 7 2HG GLN 7 -0.119 -6.725 2.034 50 1HE2 GLN 7 2HE2 GLN 7 0.180 -7.267 5.380 51 2HE2 GLN 7 1HE2 GLN 7 -0.728 -6.797 4.091 52 H SER 8 H SER 8 3.011 -6.988 -1.423 53 HA SER 8 HA SER 8 4.500 -7.966 -2.863 54 1HB SER 8 1HB SER 8 3.615 -10.227 -1.169 55 2HB SER 8 2HB SER 8 4.427 -10.609 -2.697 56 HG SER 8 HG SER 8 5.952 -10.484 -0.891 57 H SER 9 H SER 9 2.549 -10.788 -3.057 58 HA SER 9 HA SER 9 1.206 -9.884 -5.483 59 1HB SER 9 1HB SER 9 1.775 -12.135 -6.514 60 2HB SER 9 2HB SER 9 3.111 -10.976 -6.401 61 HG SER 9 HG SER 9 3.783 -13.164 -5.794 62 H GLN 10 H GLN 10 0.255 -10.288 -2.842 63 HA GLN 10 HA GLN 10 -1.093 -12.758 -2.564 64 1HB GLN 10 1HB GLN 10 -0.866 -10.322 -1.047 65 2HB GLN 10 2HB GLN 10 -2.532 -10.924 -1.079 66 1HG GLN 10 1HG GLN 10 -1.972 -12.929 -0.047 67 2HG GLN 10 2HG GLN 10 -0.283 -12.851 -0.580 68 1HE2 GLN 10 2HE2 GLN 10 0.465 -12.065 2.681 69 2HE2 GLN 10 1HE2 GLN 10 0.487 -13.191 1.481 70 HA PRO 11 HA PRO 11 -4.735 -12.090 -4.826 71 1HB PRO 11 1HB PRO 11 -6.780 -12.812 -3.089 72 2HB PRO 11 2HB PRO 11 -5.757 -13.945 -3.989 73 1HG PRO 11 1HG PRO 11 -5.725 -13.270 -1.121 74 2HG PRO 11 2HG PRO 11 -5.035 -14.675 -1.953 75 1HD PRO 11 2HD PRO 11 -3.639 -12.382 -0.968 76 2HD PRO 11 1HD PRO 11 -2.969 -13.729 -1.903 77 HA PRO 12 HA PRO 12 -6.651 -8.250 -4.045 78 1HB PRO 12 1HB PRO 12 -9.176 -8.578 -5.156 79 2HB PRO 12 2HB PRO 12 -7.703 -8.276 -6.092 80 1HG PRO 12 1HG PRO 12 -9.258 -10.761 -5.808 81 2HG PRO 12 2HG PRO 12 -8.066 -10.318 -7.042 82 1HD PRO 12 2HD PRO 12 -7.692 -12.075 -4.815 83 2HD PRO 12 1HD PRO 12 -6.469 -11.540 -5.981 84 H THR 13 H THR 13 -6.690 -8.277 -1.847 85 HA THR 13 HA THR 13 -9.281 -8.888 -0.609 86 HB THR 13 HB THR 13 -7.728 -9.141 1.502 87 HG1 THR 13 HG1 THR 13 -5.584 -9.953 0.778 88 1HG2 THR 13 1HG2 THR 13 -7.557 -11.176 -0.803 89 2HG2 THR 13 2HG2 THR 13 -7.340 -11.539 0.917 90 3HG2 THR 13 3HG2 THR 13 -8.938 -11.084 0.303 91 H THR 14 H THR 14 -10.167 -7.351 0.660 92 HA THR 14 HA THR 14 -8.721 -4.841 1.123 93 HB THR 14 HB THR 14 -11.662 -4.793 0.459 94 HG1 THR 14 HG1 THR 14 -11.040 -4.778 -1.864 95 1HG2 THR 14 1HG2 THR 14 -9.263 -3.104 -0.478 96 2HG2 THR 14 2HG2 THR 14 -10.971 -2.702 -0.722 97 3HG2 THR 14 3HG2 THR 14 -10.276 -2.658 0.906 98 H LYS 15 H LYS 15 -9.789 -3.486 2.736 99 HA LYS 15 HA LYS 15 -11.392 -4.810 4.733 100 1HB LYS 15 1HB LYS 15 -8.913 -5.488 4.997 101 2HB LYS 15 2HB LYS 15 -8.785 -3.902 5.776 102 1HG LYS 15 1HG LYS 15 -11.166 -5.191 6.719 103 2HG LYS 15 2HG LYS 15 -9.816 -6.329 6.867 104 1HD LYS 15 1HD LYS 15 -8.506 -4.540 8.030 105 2HD LYS 15 2HD LYS 15 -9.946 -3.508 7.980 106 1HE LYS 15 1HE LYS 15 -10.618 -4.447 9.904 107 2HE LYS 15 2HE LYS 15 -10.799 -5.985 9.041 108 1HZ LYS 15 1HZ LYS 15 -8.326 -5.133 10.354 109 2HZ LYS 15 2HZ LYS 15 -9.234 -6.188 10.891 110 3HZ LYS 15 3HZ LYS 15 -8.479 -6.427 9.627 111 H THR 16 H THR 16 -12.115 -3.329 6.330 112 HA THR 16 HA THR 16 -12.208 -0.575 5.411 113 HB THR 16 HB THR 16 -13.860 -2.102 7.405 114 HG1 THR 16 HG1 THR 16 -15.464 -1.668 5.530 115 1HG2 THR 16 3HG2 THR 16 -13.794 0.289 8.007 116 2HG2 THR 16 1HG2 THR 16 -14.233 0.719 6.346 117 3HG2 THR 16 2HG2 THR 16 -15.380 -0.168 7.363 118 H CYS 17 H CYS 17 -11.073 0.954 6.359 119 HA CYS 17 HA CYS 17 -9.696 0.409 8.874 120 1HB CYS 17 1HB CYS 17 -9.194 2.422 6.682 121 2HB CYS 17 2HB CYS 17 -8.403 2.510 8.265 122 H SER 18 H SER 18 -9.751 1.907 10.540 123 HA SER 18 HA SER 18 -12.016 3.773 10.502 124 1HB SER 18 1HB SER 18 -12.275 1.543 11.822 125 2HB SER 18 2HB SER 18 -11.264 2.369 13.021 126 HG SER 18 HG SER 18 -13.572 2.643 13.470 127 H GLY 19 H GLY 19 -11.704 5.679 11.568 128 1HA GLY 19 1HA GLY 19 -10.663 7.312 12.857 129 2HA GLY 19 2HA GLY 19 -9.301 6.200 13.084 130 H GLU 20 H GLU 20 -8.819 5.596 10.404 131 HA GLU 20 HA GLU 20 -7.770 8.143 9.401 132 1HB GLU 20 1HB GLU 20 -6.075 6.502 10.117 133 2HB GLU 20 2HB GLU 20 -6.660 5.405 8.855 134 1HG GLU 20 1HG GLU 20 -4.637 6.920 8.303 135 2HG GLU 20 2HG GLU 20 -5.954 6.828 7.121 136 H THR 21 H THR 21 -8.533 8.835 7.540 137 HA THR 21 HA THR 21 -10.116 7.047 5.847 138 HB THR 21 HB THR 21 -11.182 9.145 5.035 139 HG1 THR 21 HG1 THR 21 -10.614 11.119 6.288 140 1HG2 THR 21 3HG2 THR 21 -12.094 7.986 7.157 141 2HG2 THR 21 1HG2 THR 21 -11.009 9.015 8.107 142 3HG2 THR 21 2HG2 THR 21 -12.328 9.742 7.174 143 H ASN 22 H ASN 22 -7.337 6.935 5.683 144 HA ASN 22 HA ASN 22 -6.927 7.694 2.918 145 1HB ASN 22 1HB ASN 22 -4.994 8.469 5.125 146 2HB ASN 22 2HB ASN 22 -4.686 8.623 3.387 147 1HD2 ASN 22 2HD2 ASN 22 -7.412 11.024 5.281 148 2HD2 ASN 22 1HD2 ASN 22 -7.044 9.526 5.854 149 H CYS 23 H CYS 23 -5.023 6.593 2.044 150 HA CYS 23 HA CYS 23 -3.872 4.402 3.553 151 1HB CYS 23 1HB CYS 23 -5.382 3.816 1.039 152 2HB CYS 23 2HB CYS 23 -4.500 2.680 2.074 153 OH TYR 24 OH TYR 24 2.428 1.731 5.880 154 H TYR 24 H TYR 24 -2.056 3.516 2.441 155 HA TYR 24 HA TYR 24 -1.043 4.990 0.117 156 1HB TYR 24 1HB TYR 24 1.008 5.441 1.254 157 2HB TYR 24 2HB TYR 24 -0.284 5.915 2.370 158 HD1 TYR 24 HD2 TYR 24 -0.882 4.364 4.266 159 HD2 TYR 24 HD1 TYR 24 2.603 3.809 1.863 160 HE1 TYR 24 HE2 TYR 24 0.121 2.866 6.053 161 HE2 TYR 24 HE1 TYR 24 3.594 2.312 3.656 162 HH TYR 24 HH TYR 24 1.736 1.651 6.711 163 H LYS 25 H LYS 25 0.756 3.897 -0.892 164 HA LYS 25 HA LYS 25 1.026 1.046 -0.288 165 1HB LYS 25 1HB LYS 25 1.194 0.813 -2.883 166 2HB LYS 25 2HB LYS 25 -0.408 0.921 -2.134 167 1HG LYS 25 1HG LYS 25 -0.830 2.984 -3.013 168 2HG LYS 25 2HG LYS 25 0.860 3.501 -2.881 169 1HD LYS 25 1HD LYS 25 1.042 3.173 -5.093 170 2HD LYS 25 2HD LYS 25 0.886 1.436 -4.779 171 1HE LYS 25 1HE LYS 25 -0.757 2.107 -6.447 172 2HE LYS 25 2HE LYS 25 -1.589 1.665 -4.945 173 1HZ LYS 25 3HZ LYS 25 -1.751 4.051 -4.498 174 2HZ LYS 25 1HZ LYS 25 -1.052 4.424 -5.761 175 3HZ LYS 25 2HZ LYS 25 -2.399 3.787 -5.815 176 H LYS 26 H LYS 26 2.940 0.089 -0.907 177 HA LYS 26 HA LYS 26 5.156 1.781 -1.699 178 1HB LYS 26 1HB LYS 26 6.420 0.810 0.364 179 2HB LYS 26 2HB LYS 26 5.515 2.332 0.415 180 1HG LYS 26 1HG LYS 26 3.891 1.477 1.770 181 2HG LYS 26 2HG LYS 26 3.962 -0.126 1.021 182 1HD LYS 26 1HD LYS 26 4.747 -0.210 3.350 183 2HD LYS 26 2HD LYS 26 6.059 -0.600 2.224 184 1HE LYS 26 1HE LYS 26 6.698 1.885 2.370 185 2HE LYS 26 2HE LYS 26 5.609 1.966 3.766 186 1HZ LYS 26 3HZ LYS 26 7.006 0.248 4.776 187 2HZ LYS 26 1HZ LYS 26 7.923 0.181 3.602 188 3HZ LYS 26 2HZ LYS 26 7.878 1.411 4.443 189 CH2 TRP 27 CH2 TRP 27 4.356 3.077 -5.986 190 H TRP 27 H TRP 27 6.752 0.620 -2.658 191 HA TRP 27 HA TRP 27 6.907 -2.251 -2.473 192 1HB TRP 27 1HB TRP 27 6.664 -2.634 -4.866 193 2HB TRP 27 2HB TRP 27 5.181 -1.935 -4.193 194 HD1 TRP 27 HD1 TRP 27 7.686 -1.365 -6.924 195 HE1 TRP 27 HE1 TRP 27 7.184 0.828 -8.138 196 HE3 TRP 27 HE3 TRP 27 4.306 0.532 -3.650 197 HZ2 TRP 27 HZ2 TRP 27 5.562 3.122 -7.798 198 HZ3 TRP 27 HZ3 TRP 27 3.308 2.756 -4.166 199 HH2 TRP 27 HH2 TRP 27 3.890 4.041 -6.157 200 CH2 TRP 28 CH2 TRP 28 9.281 -4.344 1.771 201 H TRP 28 H TRP 28 8.800 -3.059 -3.542 202 HA TRP 28 HA TRP 28 10.837 -1.241 -4.435 203 1HB TRP 28 1HB TRP 28 12.370 -1.427 -2.725 204 2HB TRP 28 2HB TRP 28 10.834 -0.968 -1.971 205 HD1 TRP 28 HD1 TRP 28 13.233 -3.981 -2.223 206 HE1 TRP 28 HE1 TRP 28 12.720 -5.591 -0.303 207 HE3 TRP 28 HE3 TRP 28 9.079 -1.685 -0.425 208 HZ2 TRP 28 HZ2 TRP 28 10.801 -5.901 1.755 209 HZ3 TRP 28 HZ3 TRP 28 7.946 -2.707 1.543 210 HH2 TRP 28 HH2 TRP 28 8.745 -4.742 2.625 211 H SER 29 H SER 29 12.117 -2.336 -5.781 212 HA SER 29 HA SER 29 11.710 -5.167 -6.177 213 1HB SER 29 1HB SER 29 13.135 -4.870 -8.171 214 2HB SER 29 2HB SER 29 11.772 -3.738 -8.156 215 HG SER 29 HG SER 29 13.781 -2.696 -8.851 216 H ASP 30 H ASP 30 13.378 -6.673 -6.232 217 HA ASP 30 HA ASP 30 15.668 -6.025 -4.509 218 1HB ASP 30 1HB ASP 30 15.660 -8.269 -3.718 219 2HB ASP 30 2HB ASP 30 13.995 -7.673 -3.593 220 H HIS 31 H HIS 31 17.021 -8.411 -4.978 221 HA HIS 31 HA HIS 31 18.665 -7.881 -7.100 222 1HB HIS 31 1HB HIS 31 18.343 -10.022 -5.249 223 2HB HIS 31 2HB HIS 31 18.761 -10.625 -6.863 224 HD2 HIS 31 HD2 HIS 31 20.283 -7.225 -5.651 225 HE1 HIS 31 HE1 HIS 31 23.380 -10.129 -5.691 226 NH1 ARG 32 NH2 ARG 32 17.412 -15.065 -13.537 227 NH2 ARG 32 NH1 ARG 32 15.405 -16.210 -13.715 228 H ARG 32 H ARG 32 16.319 -10.538 -7.064 229 HA ARG 32 HA ARG 32 15.615 -9.962 -9.840 230 1HB ARG 32 1HB ARG 32 17.218 -11.772 -9.987 231 2HB ARG 32 2HB ARG 32 16.379 -12.672 -8.713 232 1HG ARG 32 1HG ARG 32 14.820 -13.472 -10.143 233 2HG ARG 32 2HG ARG 32 14.645 -11.912 -10.966 234 1HD ARG 32 1HD ARG 32 16.297 -12.387 -12.512 235 2HD ARG 32 2HD ARG 32 17.161 -13.476 -11.414 236 HE ARG 32 HE ARG 32 14.586 -14.468 -12.190 237 1HH1 ARG 32 1HH2 ARG 32 17.912 -14.342 -13.176 238 2HH1 ARG 32 2HH2 ARG 32 17.831 -15.687 -14.121 239 1HH2 ARG 32 1HH1 ARG 32 14.488 -16.305 -13.486 240 2HH2 ARG 32 2HH1 ARG 32 15.816 -16.836 -14.300 241 H GLY 33 H GLY 33 14.021 -9.085 -7.984 242 1HA GLY 33 1HA GLY 33 11.602 -10.530 -8.371 243 2HA GLY 33 2HA GLY 33 12.163 -10.591 -6.691 244 H THR 34 H THR 34 9.931 -9.472 -6.681 245 HA THR 34 HA THR 34 10.380 -6.628 -6.307 246 HB THR 34 HB THR 34 8.206 -7.795 -8.084 247 HG1 THR 34 HG1 THR 34 9.437 -6.306 -9.681 248 1HG2 THR 34 3HG2 THR 34 7.361 -5.860 -6.810 249 2HG2 THR 34 1HG2 THR 34 8.744 -4.897 -7.355 250 3HG2 THR 34 2HG2 THR 34 7.546 -5.466 -8.528 251 H ILE 35 H ILE 35 9.733 -6.078 -4.444 252 HA ILE 35 HA ILE 35 7.804 -7.727 -2.999 253 HB ILE 35 HB ILE 35 9.783 -5.741 -1.963 254 1HG1 ILE 35 1HG1 ILE 35 10.763 -7.861 -2.767 255 2HG1 ILE 35 2HG1 ILE 35 10.836 -7.739 -1.001 256 1HG2 ILE 35 3HG2 ILE 35 7.808 -5.624 -0.638 257 2HG2 ILE 35 1HG2 ILE 35 7.772 -7.388 -0.471 258 3HG2 ILE 35 2HG2 ILE 35 9.100 -6.458 0.243 259 1HD1 ILE 35 3HD1 ILE 35 8.826 -9.165 -0.819 260 2HD1 ILE 35 1HD1 ILE 35 8.754 -9.287 -2.585 261 3HD1 ILE 35 2HD1 ILE 35 10.118 -9.993 -1.705 262 H ILE 36 H ILE 36 5.922 -6.891 -2.267 263 HA ILE 36 HA ILE 36 5.288 -4.083 -2.796 264 HB ILE 36 HB ILE 36 3.367 -6.371 -3.308 265 1HG1 ILE 36 1HG1 ILE 36 5.319 -6.550 -4.774 266 2HG1 ILE 36 2HG1 ILE 36 3.779 -6.284 -5.607 267 1HG2 ILE 36 3HG2 ILE 36 2.335 -4.175 -2.842 268 2HG2 ILE 36 1HG2 ILE 36 3.325 -3.440 -4.113 269 3HG2 ILE 36 2HG2 ILE 36 2.098 -4.647 -4.533 270 1HD1 ILE 36 1HD1 ILE 36 5.859 -4.150 -5.004 271 2HD1 ILE 36 2HD1 ILE 36 5.567 -4.893 -6.585 272 3HD1 ILE 36 3HD1 ILE 36 4.319 -3.884 -5.837 273 H GLU 37 H GLU 37 3.800 -3.139 -1.476 274 HA GLU 37 HA GLU 37 2.725 -4.507 0.796 275 1HB GLU 37 1HB GLU 37 5.003 -4.197 1.605 276 2HB GLU 37 2HB GLU 37 4.956 -2.482 1.160 277 1HG GLU 37 1HG GLU 37 4.574 -2.748 3.565 278 2HG GLU 37 2HG GLU 37 3.114 -2.126 2.775 279 NH1 ARG 38 NH2 ARG 38 -2.459 -4.480 -2.176 280 NH2 ARG 38 NH1 ARG 38 -1.929 -4.525 -4.432 281 H ARG 38 H ARG 38 1.081 -3.480 1.700 282 HA ARG 38 HA ARG 38 0.505 -0.722 0.969 283 1HB ARG 38 1HB ARG 38 -1.376 -3.059 0.515 284 2HB ARG 38 2HB ARG 38 -1.865 -1.357 0.459 285 1HG ARG 38 1HG ARG 38 -1.456 -1.781 -1.786 286 2HG ARG 38 2HG ARG 38 0.118 -1.154 -1.264 287 1HD ARG 38 1HD ARG 38 1.151 -3.135 -1.624 288 2HD ARG 38 2HD ARG 38 -0.173 -4.059 -0.893 289 HE ARG 38 HE ARG 38 0.170 -3.491 -3.684 290 1HH1 ARG 38 1HH2 ARG 38 -2.219 -4.260 -1.284 291 2HH1 ARG 38 2HH2 ARG 38 -3.302 -4.879 -2.356 292 1HH2 ARG 38 1HH1 ARG 38 -1.323 -4.341 -5.140 293 2HH2 ARG 38 2HH1 ARG 38 -2.771 -4.925 -4.619 294 H GLY 39 H GLY 39 -1.207 0.197 2.255 295 1HA GLY 39 1HA GLY 39 -2.326 -1.045 4.512 296 2HA GLY 39 2HA GLY 39 -0.878 -0.136 4.977 297 H CYS 40 H CYS 40 -2.831 0.858 6.193 298 HA CYS 40 HA CYS 40 -4.188 2.928 4.640 299 1HB CYS 40 1HB CYS 40 -4.755 1.622 7.222 300 2HB CYS 40 2HB CYS 40 -5.259 3.305 6.989 301 H GLY 41 H GLY 41 -4.063 5.097 5.376 302 1HA GLY 41 1HA GLY 41 -3.203 6.871 6.697 303 2HA GLY 41 2HA GLY 41 -1.886 5.793 7.189 304 H CYS 42 H CYS 42 -0.620 7.724 6.576 305 HA CYS 42 HA CYS 42 0.394 7.459 3.875 306 1HB CYS 42 1HB CYS 42 -1.307 9.107 3.561 307 2HB CYS 42 2HB CYS 42 -0.631 10.089 4.872 308 HA PRO 43 HA PRO 43 3.581 8.019 7.044 309 1HB PRO 43 1HB PRO 43 5.294 6.093 6.003 310 2HB PRO 43 2HB PRO 43 4.080 5.806 7.261 311 1HG PRO 43 1HG PRO 43 4.053 5.017 4.423 312 2HG PRO 43 2HG PRO 43 3.091 4.389 5.773 313 1HD PRO 43 2HD PRO 43 2.239 6.193 3.724 314 2HD PRO 43 1HD PRO 43 1.315 5.657 5.139 315 H LYS 44 H LYS 44 6.093 8.193 6.572 316 HA LYS 44 HA LYS 44 6.364 10.211 4.516 317 1HB LYS 44 1HB LYS 44 7.293 10.715 6.717 318 2HB LYS 44 2HB LYS 44 8.280 9.244 6.664 319 1HG LYS 44 1HG LYS 44 9.227 10.273 4.451 320 2HG LYS 44 2HG LYS 44 8.583 11.795 5.094 321 1HD LYS 44 1HD LYS 44 10.204 10.123 6.955 322 2HD LYS 44 2HD LYS 44 11.072 10.926 5.634 323 1HE LYS 44 1HE LYS 44 11.086 12.786 6.893 324 2HE LYS 44 2HE LYS 44 9.333 12.882 6.650 325 1HZ LYS 44 1HZ LYS 44 10.596 11.480 8.887 326 2HZ LYS 44 2HZ LYS 44 9.896 12.791 9.014 327 3HZ LYS 44 3HZ LYS 44 9.121 11.560 8.682 328 H VAL 45 H VAL 45 7.094 9.934 2.623 329 HA VAL 45 HA VAL 45 7.975 7.338 1.752 330 HB VAL 45 HB VAL 45 6.419 8.785 0.404 331 1HG1 VAL 45 3HG1 VAL 45 7.340 10.941 0.916 332 2HG1 VAL 45 1HG1 VAL 45 8.834 10.540 0.053 333 3HG1 VAL 45 2HG1 VAL 45 7.306 10.675 -0.834 334 1HG2 VAL 45 3HG2 VAL 45 9.073 8.134 -0.930 335 2HG2 VAL 45 1HG2 VAL 45 7.732 7.001 -0.691 336 3HG2 VAL 45 2HG2 VAL 45 7.532 8.396 -1.764 337 H LYS 46 H LYS 46 9.907 6.690 2.046 338 HA LYS 46 HA LYS 46 12.118 8.543 2.343 339 1HB LYS 46 1HB LYS 46 12.817 7.161 3.835 340 2HB LYS 46 2HB LYS 46 11.487 6.048 3.469 341 1HG LYS 46 1HG LYS 46 12.832 5.048 1.654 342 2HG LYS 46 2HG LYS 46 14.163 6.153 2.037 343 1HD LYS 46 1HD LYS 46 14.915 4.641 3.512 344 2HD LYS 46 2HD LYS 46 13.459 4.930 4.478 345 1HE LYS 46 1HE LYS 46 12.774 2.839 4.054 346 2HE LYS 46 2HE LYS 46 12.729 3.213 2.323 347 1HZ LYS 46 1HZ LYS 46 15.107 2.233 3.718 348 2HZ LYS 46 2HZ LYS 46 14.280 1.401 2.797 349 3HZ LYS 46 3HZ LYS 46 15.069 2.547 2.261 350 HA PRO 47 HA PRO 47 13.583 7.863 -1.722 351 1HB PRO 47 1HB PRO 47 16.279 8.393 -1.327 352 2HB PRO 47 2HB PRO 47 15.032 9.638 -1.509 353 1HG PRO 47 1HG PRO 47 16.484 8.789 0.910 354 2HG PRO 47 2HG PRO 47 15.574 10.280 0.612 355 1HD PRO 47 2HD PRO 47 14.741 8.014 2.142 356 2HD PRO 47 1HD PRO 47 13.787 9.453 1.745 357 H GLY 48 H GLY 48 14.222 6.247 -2.933 358 1HA GLY 48 1HA GLY 48 15.687 4.432 -3.494 359 2HA GLY 48 2HA GLY 48 15.836 4.107 -1.757 360 H VAL 49 H VAL 49 12.972 4.488 -1.329 361 HA VAL 49 HA VAL 49 11.994 1.939 -2.405 362 HB VAL 49 HB VAL 49 11.188 3.263 0.165 363 1HG1 VAL 49 3HG1 VAL 49 9.413 1.952 -0.780 364 2HG1 VAL 49 1HG1 VAL 49 10.504 0.572 -0.985 365 3HG1 VAL 49 2HG1 VAL 49 10.100 1.146 0.641 366 1HG2 VAL 49 3HG2 VAL 49 13.020 0.894 -0.361 367 2HG2 VAL 49 1HG2 VAL 49 13.530 2.480 0.242 368 3HG2 VAL 49 2HG2 VAL 49 12.480 1.452 1.231 369 H ASN 50 H ASN 50 9.924 1.871 -3.213 370 HA ASN 50 HA ASN 50 8.851 4.357 -4.211 371 1HB ASN 50 1HB ASN 50 7.886 1.513 -4.655 372 2HB ASN 50 2HB ASN 50 7.334 2.956 -5.524 373 1HD2 ASN 50 2HD2 ASN 50 10.308 0.858 -6.927 374 2HD2 ASN 50 1HD2 ASN 50 9.122 0.355 -5.902 375 H LEU 51 H LEU 51 7.082 5.300 -3.403 376 HA LEU 51 HA LEU 51 5.119 3.876 -1.829 377 1HB LEU 51 1HB LEU 51 6.959 4.457 -0.290 378 2HB LEU 51 2HB LEU 51 6.522 6.156 -0.540 379 HG LEU 51 HG LEU 51 4.591 4.076 0.493 380 1HD1 LEU 51 1HD1 LEU 51 6.339 5.896 2.108 381 2HD1 LEU 51 2HD1 LEU 51 5.000 4.913 2.723 382 3HD1 LEU 51 3HD1 LEU 51 6.421 4.129 2.015 383 1HD2 LEU 51 3HD2 LEU 51 4.575 7.116 0.557 384 2HD2 LEU 51 1HD2 LEU 51 3.571 6.100 -0.491 385 3HD2 LEU 51 2HD2 LEU 51 3.343 6.060 1.265 386 H ASN 52 H ASN 52 3.165 4.806 -2.020 387 HA ASN 52 HA ASN 52 2.923 7.496 -3.137 388 1HB ASN 52 1HB ASN 52 2.674 5.614 -4.895 389 2HB ASN 52 2HB ASN 52 1.148 5.241 -4.075 390 1HD2 ASN 52 2HD2 ASN 52 0.689 7.587 -6.924 391 2HD2 ASN 52 1HD2 ASN 52 1.454 6.142 -6.742 392 H CYS 53 H CYS 53 1.222 8.606 -2.306 393 HA CYS 53 HA CYS 53 -0.475 7.266 -0.329 394 1HB CYS 53 1HB CYS 53 0.646 10.053 -0.447 395 2HB CYS 53 2HB CYS 53 -0.814 9.696 0.491 396 H CYS 54 H CYS 54 -2.631 7.582 -0.382 397 HA CYS 54 HA CYS 54 -3.899 9.335 -2.254 398 1HB CYS 54 1HB CYS 54 -5.186 7.351 -3.270 399 2HB CYS 54 2HB CYS 54 -3.564 7.710 -3.886 400 NH1 ARG 55 NH2 ARG 55 -7.112 15.019 0.156 401 NH2 ARG 55 NH1 ARG 55 -4.903 15.336 0.782 402 H ARG 55 H ARG 55 -6.253 9.154 -2.073 403 HA ARG 55 HA ARG 55 -7.074 8.225 0.585 404 1HB ARG 55 1HB ARG 55 -8.229 10.637 -0.834 405 2HB ARG 55 2HB ARG 55 -8.469 10.143 0.851 406 1HG ARG 55 1HG ARG 55 -5.948 10.460 1.146 407 2HG ARG 55 2HG ARG 55 -5.970 11.272 -0.429 408 1HD ARG 55 1HD ARG 55 -7.834 12.752 0.566 409 2HD ARG 55 2HD ARG 55 -7.331 12.109 2.139 410 HE ARG 55 HE ARG 55 -5.065 13.005 1.538 411 1HH1 ARG 55 1HH2 ARG 55 -7.873 14.453 0.099 412 2HH1 ARG 55 2HH2 ARG 55 -7.159 15.911 -0.169 413 1HH2 ARG 55 1HH1 ARG 55 -4.100 15.004 1.165 414 2HH2 ARG 55 2HH1 ARG 55 -4.941 16.229 0.459 415 H THR 56 H THR 56 -7.264 7.186 -2.274 416 HA THR 56 HA THR 56 -10.169 6.889 -2.500 417 HB THR 56 HB THR 56 -9.359 5.813 -4.752 418 HG1 THR 56 HG1 THR 56 -7.195 6.929 -5.339 419 1HG2 THR 56 1HG2 THR 56 -9.014 8.795 -4.293 420 2HG2 THR 56 2HG2 THR 56 -9.240 8.005 -5.862 421 3HG2 THR 56 3HG2 THR 56 -10.541 7.976 -4.659 422 H ASP 57 H ASP 57 -11.140 4.939 -2.637 423 HA ASP 57 HA ASP 57 -10.222 2.958 -0.874 424 1HB ASP 57 1HB ASP 57 -12.545 3.365 -2.617 425 2HB ASP 57 2HB ASP 57 -12.054 1.667 -2.484 426 NH1 ARG 58 NH2 ARG 58 -11.963 -5.340 -3.925 427 NH2 ARG 58 NH1 ARG 58 -13.680 -4.320 -2.749 428 H ARG 58 H ARG 58 -9.249 1.033 -1.265 429 HA ARG 58 HA ARG 58 -7.767 -0.418 -2.250 430 1HB ARG 58 1HB ARG 58 -10.065 -0.178 -4.138 431 2HB ARG 58 2HB ARG 58 -8.616 -1.055 -4.661 432 1HG ARG 58 1HG ARG 58 -8.765 -2.471 -2.632 433 2HG ARG 58 2HG ARG 58 -10.245 -1.618 -2.161 434 1HD ARG 58 1HD ARG 58 -10.571 -2.476 -4.863 435 2HD ARG 58 2HD ARG 58 -9.958 -3.856 -3.934 436 HE ARG 58 HE ARG 58 -12.211 -2.355 -2.835 437 1HH1 ARG 58 1HH2 ARG 58 -11.105 -5.287 -4.330 438 2HH1 ARG 58 2HH2 ARG 58 -12.450 -6.155 -3.950 439 1HH2 ARG 58 1HH1 ARG 58 -14.044 -3.554 -2.322 440 2HH2 ARG 58 2HH1 ARG 58 -14.174 -5.132 -2.770 441 H CYS 59 H CYS 59 -7.427 2.522 -2.663 442 HA CYS 59 HA CYS 59 -6.382 2.973 -5.271 443 1HB CYS 59 1HB CYS 59 -5.706 5.064 -4.576 444 2HB CYS 59 2HB CYS 59 -7.257 4.748 -3.779 445 H ASN 60 H ASN 60 -5.216 1.719 -2.267 446 HA ASN 60 HA ASN 60 -2.433 1.751 -3.119 447 1HB ASN 60 1HB ASN 60 -1.990 0.784 -0.863 448 2HB ASN 60 2HB ASN 60 -2.831 2.341 -0.781 449 1HD2 ASN 60 2HD2 ASN 60 -4.520 0.337 1.636 450 2HD2 ASN 60 1HD2 ASN 60 -3.100 1.137 1.410 451 H ASN 61 H ASN 61 -2.729 0.250 -4.829 452 HA ASN 61 HA ASN 61 -2.832 -2.542 -3.957 453 1HB ASN 61 1HB ASN 61 -4.167 -3.198 -5.812 454 2HB ASN 61 2HB ASN 61 -4.988 -1.788 -5.122 455 1HD2 ASN 61 2HD2 ASN 61 -5.022 -0.066 -8.033 456 2HD2 ASN 61 1HD2 ASN 61 -5.680 -0.437 -6.571 Start of MODEL 12 Raw file had 456 H/Q atoms Start of MODEL 12 1 1H LEU 1 1H LEU 1 -13.396 3.240 6.047 2 2H LEU 1 2H LEU 1 -14.257 4.120 5.205 3 3H LEU 1 3H LEU 1 -14.452 2.642 5.182 4 HA LEU 1 HA LEU 1 -13.339 3.278 3.139 5 1HB LEU 1 1HB LEU 1 -12.401 5.248 4.470 6 2HB LEU 1 2HB LEU 1 -11.040 4.151 4.766 7 HG LEU 1 HG LEU 1 -11.789 4.248 1.953 8 1HD1 LEU 1 3HD1 LEU 1 -12.549 6.457 2.413 9 2HD1 LEU 1 1HD1 LEU 1 -11.017 6.855 3.209 10 3HD1 LEU 1 2HD1 LEU 1 -11.048 6.496 1.475 11 1HD2 LEU 1 3HD2 LEU 1 -9.232 4.916 3.456 12 2HD2 LEU 1 1HD2 LEU 1 -9.664 3.323 2.811 13 3HD2 LEU 1 2HD2 LEU 1 -9.371 4.676 1.706 14 H GLU 2 H GLU 2 -12.635 1.451 2.300 15 HA GLU 2 HA GLU 2 -11.307 -0.530 3.993 16 1HB GLU 2 1HB GLU 2 -12.041 -2.205 2.410 17 2HB GLU 2 2HB GLU 2 -13.438 -1.211 2.860 18 1HG GLU 2 1HG GLU 2 -13.060 0.146 0.784 19 2HG GLU 2 2HG GLU 2 -11.793 -1.002 0.319 20 H CYS 3 H CYS 3 -9.259 -0.730 3.845 21 HA CYS 3 HA CYS 3 -7.845 0.158 1.438 22 1HB CYS 3 1HB CYS 3 -6.935 -0.121 4.267 23 2HB CYS 3 2HB CYS 3 -5.822 0.063 2.900 24 H HIS 4 H HIS 4 -6.230 -1.211 0.593 25 HA HIS 4 HA HIS 4 -6.884 -3.979 0.561 26 1HB HIS 4 1HB HIS 4 -4.982 -2.194 -0.848 27 2HB HIS 4 2HB HIS 4 -4.482 -3.886 -0.687 28 HD2 HIS 4 HD2 HIS 4 -6.318 -1.819 -3.171 29 HE1 HIS 4 HE1 HIS 4 -8.034 -5.685 -3.551 30 H ASN 5 H ASN 5 -5.583 -5.705 1.131 31 HA ASN 5 HA ASN 5 -3.787 -5.161 3.392 32 1HB ASN 5 1HB ASN 5 -4.576 -7.649 3.963 33 2HB ASN 5 2HB ASN 5 -5.487 -6.234 4.519 34 1HD2 ASN 5 2HD2 ASN 5 -8.302 -7.684 3.234 35 2HD2 ASN 5 1HD2 ASN 5 -7.460 -7.162 4.548 36 H GLN 6 H GLN 6 -4.613 -7.300 0.726 37 HA GLN 6 HA GLN 6 -2.772 -9.248 0.714 38 1HB GLN 6 1HB GLN 6 -2.604 -8.694 -1.868 39 2HB GLN 6 2HB GLN 6 -4.023 -9.453 -1.125 40 1HG GLN 6 1HG GLN 6 -5.312 -7.557 -1.316 41 2HG GLN 6 2HG GLN 6 -3.920 -6.468 -1.185 42 1HE2 GLN 6 2HE2 GLN 6 -4.488 -5.836 -4.527 43 2HE2 GLN 6 1HE2 GLN 6 -4.664 -5.318 -2.976 44 H GLN 7 H GLN 7 -0.641 -9.482 0.141 45 HA GLN 7 HA GLN 7 0.971 -7.037 -0.070 46 1HB GLN 7 1HB GLN 7 1.142 -8.162 2.138 47 2HB GLN 7 2HB GLN 7 1.863 -9.551 1.306 48 1HG GLN 7 1HG GLN 7 3.060 -6.943 0.608 49 2HG GLN 7 2HG GLN 7 3.277 -7.425 2.300 50 1HE2 GLN 7 2HE2 GLN 7 6.131 -8.686 0.466 51 2HE2 GLN 7 1HE2 GLN 7 5.474 -7.234 0.873 52 H SER 8 H SER 8 2.758 -7.136 -1.409 53 HA SER 8 HA SER 8 4.029 -7.708 -3.224 54 1HB SER 8 1HB SER 8 3.411 -10.323 -1.975 55 2HB SER 8 2HB SER 8 4.029 -10.319 -3.636 56 HG SER 8 HG SER 8 5.769 -10.526 -2.044 57 H SER 9 H SER 9 2.149 -10.515 -3.801 58 HA SER 9 HA SER 9 0.495 -9.160 -5.795 59 1HB SER 9 1HB SER 9 2.685 -10.479 -6.612 60 2HB SER 9 2HB SER 9 1.571 -11.852 -6.486 61 HG SER 9 HG SER 9 1.603 -10.932 -8.667 62 H GLN 10 H GLN 10 -0.123 -10.083 -3.176 63 HA GLN 10 HA GLN 10 -1.423 -12.562 -3.124 64 1HB GLN 10 1HB GLN 10 -1.135 -10.329 -1.348 65 2HB GLN 10 2HB GLN 10 -2.800 -10.936 -1.346 66 1HG GLN 10 1HG GLN 10 -2.145 -13.090 -0.676 67 2HG GLN 10 2HG GLN 10 -0.463 -12.835 -1.174 68 1HE2 GLN 10 2HE2 GLN 10 0.424 -12.267 2.059 69 2HE2 GLN 10 1HE2 GLN 10 0.619 -13.099 0.652 70 HA PRO 11 HA PRO 11 -5.299 -11.761 -4.977 71 1HB PRO 11 1HB PRO 11 -7.163 -12.654 -3.125 72 2HB PRO 11 2HB PRO 11 -6.214 -13.715 -4.180 73 1HG PRO 11 1HG PRO 11 -5.943 -13.229 -1.287 74 2HG PRO 11 2HG PRO 11 -5.317 -14.569 -2.264 75 1HD PRO 11 2HD PRO 11 -3.860 -12.327 -1.250 76 2HD PRO 11 1HD PRO 11 -3.260 -13.605 -2.323 77 HA PRO 12 HA PRO 12 -7.158 -8.048 -3.785 78 1HB PRO 12 1HB PRO 12 -9.776 -8.349 -4.662 79 2HB PRO 12 2HB PRO 12 -8.404 -7.971 -5.719 80 1HG PRO 12 1HG PRO 12 -9.901 -10.491 -5.429 81 2HG PRO 12 2HG PRO 12 -8.840 -9.959 -6.746 82 1HD PRO 12 2HD PRO 12 -8.232 -11.836 -4.676 83 2HD PRO 12 1HD PRO 12 -7.135 -11.214 -5.922 84 H THR 13 H THR 13 -7.186 -7.798 -1.688 85 HA THR 13 HA THR 13 -9.620 -8.477 -0.227 86 HB THR 13 HB THR 13 -8.042 -9.132 1.706 87 HG1 THR 13 HG1 THR 13 -5.906 -10.010 0.735 88 1HG2 THR 13 3HG2 THR 13 -9.375 -10.825 0.508 89 2HG2 THR 13 1HG2 THR 13 -8.111 -10.946 -0.728 90 3HG2 THR 13 2HG2 THR 13 -7.775 -11.453 0.936 91 H THR 14 H THR 14 -10.227 -7.092 1.279 92 HA THR 14 HA THR 14 -8.544 -4.793 1.911 93 HB THR 14 HB THR 14 -11.413 -4.271 1.158 94 HG1 THR 14 HG1 THR 14 -10.710 -4.171 -1.138 95 1HG2 THR 14 1HG2 THR 14 -8.761 -2.889 0.425 96 2HG2 THR 14 2HG2 THR 14 -10.382 -2.222 0.169 97 3HG2 THR 14 3HG2 THR 14 -9.749 -2.405 1.812 98 H LYS 15 H LYS 15 -9.599 -3.421 3.572 99 HA LYS 15 HA LYS 15 -11.493 -4.577 5.344 100 1HB LYS 15 1HB LYS 15 -10.071 -5.107 7.189 101 2HB LYS 15 2HB LYS 15 -9.386 -5.935 5.779 102 1HG LYS 15 1HG LYS 15 -7.528 -4.594 5.721 103 2HG LYS 15 2HG LYS 15 -8.398 -3.178 6.338 104 1HD LYS 15 1HD LYS 15 -8.438 -5.086 8.419 105 2HD LYS 15 2HD LYS 15 -6.787 -5.100 7.774 106 1HE LYS 15 1HE LYS 15 -6.878 -2.540 7.929 107 2HE LYS 15 2HE LYS 15 -8.336 -2.762 8.912 108 1HZ LYS 15 1HZ LYS 15 -5.717 -3.873 9.602 109 2HZ LYS 15 2HZ LYS 15 -6.335 -2.704 10.294 110 3HZ LYS 15 3HZ LYS 15 -6.944 -4.059 10.430 111 H THR 16 H THR 16 -12.302 -3.188 6.742 112 HA THR 16 HA THR 16 -12.038 -0.443 6.159 113 HB THR 16 HB THR 16 -13.605 -2.042 8.158 114 HG1 THR 16 HG1 THR 16 -15.318 -1.099 6.758 115 1HG2 THR 16 3HG2 THR 16 -13.058 0.276 9.158 116 2HG2 THR 16 1HG2 THR 16 -13.681 0.995 7.664 117 3HG2 THR 16 2HG2 THR 16 -14.769 0.093 8.732 118 H CYS 17 H CYS 17 -10.753 1.029 7.030 119 HA CYS 17 HA CYS 17 -8.936 0.267 9.175 120 1HB CYS 17 1HB CYS 17 -8.851 2.676 7.346 121 2HB CYS 17 2HB CYS 17 -7.625 2.228 8.544 122 H SER 18 H SER 18 -8.381 2.197 10.620 123 HA SER 18 HA SER 18 -10.619 2.761 12.205 124 1HB SER 18 1HB SER 18 -9.176 4.093 13.565 125 2HB SER 18 2HB SER 18 -8.219 2.713 12.999 126 HG SER 18 HG SER 18 -6.998 4.739 12.895 127 H GLY 19 H GLY 19 -10.184 5.481 12.820 128 1HA GLY 19 1HA GLY 19 -12.004 6.692 11.037 129 2HA GLY 19 2HA GLY 19 -11.145 7.505 12.357 130 H GLU 20 H GLU 20 -10.239 5.952 9.301 131 HA GLU 20 HA GLU 20 -8.980 8.415 8.394 132 1HB GLU 20 1HB GLU 20 -7.042 7.410 9.232 133 2HB GLU 20 2HB GLU 20 -7.600 5.775 8.836 134 1HG GLU 20 1HG GLU 20 -7.283 7.603 6.526 135 2HG GLU 20 2HG GLU 20 -5.782 7.165 7.359 136 H THR 21 H THR 21 -9.069 8.764 6.293 137 HA THR 21 HA THR 21 -10.365 6.730 4.619 138 HB THR 21 HB THR 21 -11.422 8.727 3.445 139 HG1 THR 21 HG1 THR 21 -11.425 10.704 4.815 140 1HG2 THR 21 3HG2 THR 21 -12.669 7.387 5.271 141 2HG2 THR 21 1HG2 THR 21 -11.983 8.501 6.465 142 3HG2 THR 21 2HG2 THR 21 -13.118 9.100 5.243 143 H ASN 22 H ASN 22 -7.726 6.622 4.673 144 HA ASN 22 HA ASN 22 -6.940 7.460 2.018 145 1HB ASN 22 1HB ASN 22 -5.311 8.201 4.476 146 2HB ASN 22 2HB ASN 22 -4.798 8.411 2.793 147 1HD2 ASN 22 2HD2 ASN 22 -7.711 10.760 4.455 148 2HD2 ASN 22 1HD2 ASN 22 -7.376 9.261 5.044 149 H CYS 23 H CYS 23 -5.058 6.325 1.311 150 HA CYS 23 HA CYS 23 -4.030 4.164 2.941 151 1HB CYS 23 1HB CYS 23 -5.085 3.548 0.188 152 2HB CYS 23 2HB CYS 23 -4.562 2.421 1.451 153 OH TYR 24 OH TYR 24 1.706 0.816 5.805 154 H TYR 24 H TYR 24 -2.115 3.271 2.088 155 HA TYR 24 HA TYR 24 -0.789 4.857 0.018 156 1HB TYR 24 1HB TYR 24 1.142 5.075 1.479 157 2HB TYR 24 2HB TYR 24 -0.270 5.512 2.457 158 HD1 TYR 24 HD1 TYR 24 1.892 2.570 1.637 159 HD2 TYR 24 HD2 TYR 24 -0.549 4.530 4.540 160 HE1 TYR 24 HE1 TYR 24 2.548 0.836 3.369 161 HE2 TYR 24 HE2 TYR 24 0.115 2.790 6.263 162 HH TYR 24 HH TYR 24 1.214 1.037 6.747 163 H LYS 25 H LYS 25 1.098 3.808 -0.867 164 HA LYS 25 HA LYS 25 1.034 0.876 -0.684 165 1HB LYS 25 1HB LYS 25 1.586 2.323 -3.228 166 2HB LYS 25 2HB LYS 25 1.251 0.604 -2.960 167 1HG LYS 25 1HG LYS 25 -1.029 1.026 -2.436 168 2HG LYS 25 2HG LYS 25 -0.746 2.766 -2.259 169 1HD LYS 25 1HD LYS 25 0.089 2.340 -4.834 170 2HD LYS 25 2HD LYS 25 -1.227 1.163 -4.692 171 1HE LYS 25 1HE LYS 25 -2.432 3.014 -5.353 172 2HE LYS 25 2HE LYS 25 -2.486 3.235 -3.594 173 1HZ LYS 25 1HZ LYS 25 -0.566 4.577 -5.351 174 2HZ LYS 25 2HZ LYS 25 -1.735 5.256 -4.721 175 3HZ LYS 25 3HZ LYS 25 -0.612 4.764 -3.872 176 H LYS 26 H LYS 26 3.052 -0.141 -1.070 177 HA LYS 26 HA LYS 26 5.470 1.465 -1.118 178 1HB LYS 26 1HB LYS 26 6.335 0.137 0.871 179 2HB LYS 26 2HB LYS 26 5.298 1.550 1.129 180 1HG LYS 26 1HG LYS 26 3.442 0.240 1.705 181 2HG LYS 26 2HG LYS 26 4.100 -1.207 0.922 182 1HD LYS 26 1HD LYS 26 4.209 -1.392 3.376 183 2HD LYS 26 2HD LYS 26 5.831 -1.370 2.662 184 1HE LYS 26 1HE LYS 26 6.185 0.904 3.310 185 2HE LYS 26 2HE LYS 26 4.477 1.120 3.733 186 1HZ LYS 26 3HZ LYS 26 4.874 -0.447 5.551 187 2HZ LYS 26 1HZ LYS 26 6.312 -0.629 5.195 188 3HZ LYS 26 2HZ LYS 26 5.830 0.687 5.706 189 CH2 TRP 27 CH2 TRP 27 4.604 3.298 -5.544 190 H TRP 27 H TRP 27 6.969 0.472 -2.287 191 HA TRP 27 HA TRP 27 7.085 -2.415 -2.558 192 1HB TRP 27 1HB TRP 27 6.978 -2.446 -4.932 193 2HB TRP 27 2HB TRP 27 5.477 -1.816 -4.233 194 HD1 TRP 27 HD1 TRP 27 8.235 -0.863 -6.643 195 HE1 TRP 27 HE1 TRP 27 7.759 1.451 -7.621 196 HE3 TRP 27 HE3 TRP 27 4.424 0.472 -3.566 197 HZ2 TRP 27 HZ2 TRP 27 5.997 3.622 -7.185 198 HZ3 TRP 27 HZ3 TRP 27 3.382 2.707 -3.911 199 HH2 TRP 27 HH2 TRP 27 4.111 4.259 -5.646 200 CH2 TRP 28 CH2 TRP 28 9.390 -5.196 1.371 201 H TRP 28 H TRP 28 9.078 -3.024 -3.658 202 HA TRP 28 HA TRP 28 11.132 -1.078 -4.157 203 1HB TRP 28 1HB TRP 28 12.611 -1.559 -2.457 204 2HB TRP 28 2HB TRP 28 11.049 -1.234 -1.686 205 HD1 TRP 28 HD1 TRP 28 13.462 -4.168 -2.378 206 HE1 TRP 28 HE1 TRP 28 12.890 -6.083 -0.783 207 HE3 TRP 28 HE3 TRP 28 9.254 -2.198 -0.339 208 HZ2 TRP 28 HZ2 TRP 28 10.911 -6.733 1.134 209 HZ3 TRP 28 HZ3 TRP 28 8.062 -3.537 1.389 210 HH2 TRP 28 HH2 TRP 28 8.827 -5.734 2.127 211 H SER 29 H SER 29 12.676 -1.965 -5.442 212 HA SER 29 HA SER 29 12.213 -4.638 -6.466 213 1HB SER 29 1HB SER 29 13.772 -4.035 -8.241 214 2HB SER 29 2HB SER 29 12.424 -2.892 -8.105 215 HG SER 29 HG SER 29 14.487 -1.789 -8.472 216 H ASP 30 H ASP 30 13.774 -6.219 -6.481 217 HA ASP 30 HA ASP 30 16.044 -5.856 -4.651 218 1HB ASP 30 1HB ASP 30 15.759 -8.547 -4.819 219 2HB ASP 30 2HB ASP 30 15.038 -7.546 -3.548 220 H HIS 31 H HIS 31 17.476 -8.037 -5.216 221 HA HIS 31 HA HIS 31 18.992 -7.416 -7.426 222 1HB HIS 31 1HB HIS 31 18.749 -9.750 -5.628 223 2HB HIS 31 2HB HIS 31 19.435 -10.091 -7.226 224 HD2 HIS 31 HD2 HIS 31 22.069 -10.385 -6.426 225 HE1 HIS 31 HE1 HIS 31 22.511 -6.544 -4.673 226 NH1 ARG 32 NH2 ARG 32 16.696 -10.284 -14.346 227 NH2 ARG 32 NH1 ARG 32 18.678 -11.033 -15.287 228 H ARG 32 H ARG 32 16.684 -10.079 -7.275 229 HA ARG 32 HA ARG 32 16.005 -9.566 -10.066 230 1HB ARG 32 1HB ARG 32 17.244 -12.019 -8.949 231 2HB ARG 32 2HB ARG 32 15.850 -12.277 -10.013 232 1HG ARG 32 1HG ARG 32 17.531 -10.288 -11.201 233 2HG ARG 32 2HG ARG 32 18.544 -11.668 -10.738 234 1HD ARG 32 1HD ARG 32 16.945 -13.181 -11.922 235 2HD ARG 32 2HD ARG 32 16.044 -11.754 -12.463 236 HE ARG 32 HE ARG 32 18.731 -12.519 -13.334 237 1HH1 ARG 32 1HH2 ARG 32 16.053 -10.332 -13.648 238 2HH1 ARG 32 2HH2 ARG 32 16.578 -9.669 -15.060 239 1HH2 ARG 32 1HH1 ARG 32 19.437 -11.604 -15.264 240 2HH2 ARG 32 2HH1 ARG 32 18.566 -10.419 -16.005 241 H GLY 33 H GLY 33 14.398 -8.652 -8.266 242 1HA GLY 33 1HA GLY 33 11.961 -9.992 -8.667 243 2HA GLY 33 2HA GLY 33 12.527 -10.248 -7.008 244 H THR 34 H THR 34 10.324 -9.047 -6.901 245 HA THR 34 HA THR 34 10.867 -6.340 -6.080 246 HB THR 34 HB THR 34 9.022 -7.015 -8.414 247 HG1 THR 34 HG1 THR 34 10.424 -5.334 -9.410 248 1HG2 THR 34 1HG2 THR 34 9.457 -4.328 -6.974 249 2HG2 THR 34 2HG2 THR 34 8.421 -4.589 -8.386 250 3HG2 THR 34 3HG2 THR 34 7.969 -5.276 -6.817 251 H ILE 35 H ILE 35 10.003 -6.056 -4.243 252 HA ILE 35 HA ILE 35 7.729 -7.701 -3.422 253 HB ILE 35 HB ILE 35 9.799 -6.175 -1.810 254 1HG1 ILE 35 1HG1 ILE 35 9.842 -8.726 -0.900 255 2HG1 ILE 35 2HG1 ILE 35 9.386 -9.013 -2.588 256 1HG2 ILE 35 1HG2 ILE 35 7.383 -7.618 -0.783 257 2HG2 ILE 35 2HG2 ILE 35 8.720 -6.985 0.193 258 3HG2 ILE 35 3HG2 ILE 35 7.696 -5.875 -0.734 259 1HD1 ILE 35 1HD1 ILE 35 11.802 -7.421 -1.653 260 2HD1 ILE 35 2HD1 ILE 35 11.838 -9.067 -2.312 261 3HD1 ILE 35 3HD1 ILE 35 11.346 -7.709 -3.340 262 H ILE 36 H ILE 36 5.853 -6.931 -2.931 263 HA ILE 36 HA ILE 36 5.458 -4.029 -2.928 264 HB ILE 36 HB ILE 36 3.513 -5.956 -4.212 265 1HG1 ILE 36 1HG1 ILE 36 4.984 -4.291 -6.087 266 2HG1 ILE 36 2HG1 ILE 36 6.072 -5.379 -5.210 267 1HG2 ILE 36 1HG2 ILE 36 3.779 -2.977 -4.380 268 2HG2 ILE 36 2HG2 ILE 36 2.618 -3.976 -5.269 269 3HG2 ILE 36 3HG2 ILE 36 2.548 -3.899 -3.500 270 1HD1 ILE 36 1HD1 ILE 36 3.565 -6.213 -6.714 271 2HD1 ILE 36 2HD1 ILE 36 5.231 -6.439 -7.273 272 3HD1 ILE 36 3HD1 ILE 36 4.654 -7.302 -5.838 273 H GLU 37 H GLU 37 3.781 -3.254 -1.725 274 HA GLU 37 HA GLU 37 2.176 -4.914 -0.065 275 1HB GLU 37 1HB GLU 37 4.618 -4.818 0.952 276 2HB GLU 37 2HB GLU 37 4.087 -3.219 1.505 277 1HG GLU 37 1HG GLU 37 2.330 -5.616 1.962 278 2HG GLU 37 2HG GLU 37 3.711 -5.321 3.034 279 NH1 ARG 38 NH2 ARG 38 0.845 -1.737 -3.790 280 NH2 ARG 38 NH1 ARG 38 -0.200 -2.786 -5.574 281 H ARG 38 H ARG 38 0.598 -3.825 0.997 282 HA ARG 38 HA ARG 38 0.361 -0.968 0.372 283 1HB ARG 38 1HB ARG 38 -1.764 -3.129 0.370 284 2HB ARG 38 2HB ARG 38 -2.142 -1.398 0.384 285 1HG ARG 38 1HG ARG 38 -2.208 -1.955 -1.898 286 2HG ARG 38 2HG ARG 38 -0.592 -1.258 -1.689 287 1HD ARG 38 1HD ARG 38 0.434 -3.421 -1.673 288 2HD ARG 38 2HD ARG 38 -1.132 -4.236 -1.526 289 HE ARG 38 HE ARG 38 -1.322 -4.074 -3.811 290 1HH1 ARG 38 1HH2 ARG 38 0.967 -1.646 -2.853 291 2HH1 ARG 38 2HH2 ARG 38 1.333 -1.184 -4.388 292 1HH2 ARG 38 1HH1 ARG 38 -0.812 -3.432 -5.905 293 2HH2 ARG 38 2HH1 ARG 38 0.285 -2.236 -6.178 294 H GLY 39 H GLY 39 -1.314 0.075 1.810 295 1HA GLY 39 1HA GLY 39 -1.818 -0.946 4.403 296 2HA GLY 39 2HA GLY 39 -0.466 0.201 4.410 297 H CYS 40 H CYS 40 -2.358 1.056 5.883 298 HA CYS 40 HA CYS 40 -4.111 2.825 4.330 299 1HB CYS 40 1HB CYS 40 -4.605 1.228 6.627 300 2HB CYS 40 2HB CYS 40 -4.864 2.941 7.003 301 H GLY 41 H GLY 41 -4.143 5.007 4.894 302 1HA GLY 41 1HA GLY 41 -3.503 6.946 6.081 303 2HA GLY 41 2HA GLY 41 -2.151 6.022 6.761 304 H CYS 42 H CYS 42 -0.907 7.904 6.100 305 HA CYS 42 HA CYS 42 0.203 7.577 3.432 306 1HB CYS 42 1HB CYS 42 -1.463 9.243 3.068 307 2HB CYS 42 2HB CYS 42 -0.819 10.217 4.401 308 HA PRO 43 HA PRO 43 3.344 8.089 6.645 309 1HB PRO 43 1HB PRO 43 5.082 6.202 5.575 310 2HB PRO 43 2HB PRO 43 3.849 5.872 6.804 311 1HG PRO 43 1HG PRO 43 3.872 5.167 3.945 312 2HG PRO 43 2HG PRO 43 2.892 4.496 5.260 313 1HD PRO 43 2HD PRO 43 2.064 6.355 3.251 314 2HD PRO 43 1HD PRO 43 1.121 5.773 4.633 315 H LYS 44 H LYS 44 5.849 8.316 6.234 316 HA LYS 44 HA LYS 44 6.155 10.425 4.295 317 1HB LYS 44 1HB LYS 44 6.976 10.844 6.469 318 2HB LYS 44 2HB LYS 44 8.032 9.424 6.395 319 1HG LYS 44 1HG LYS 44 9.032 10.522 4.280 320 2HG LYS 44 2HG LYS 44 8.224 12.001 4.830 321 1HD LYS 44 1HD LYS 44 9.953 10.454 6.742 322 2HD LYS 44 2HD LYS 44 10.708 11.517 5.543 323 1HE LYS 44 1HE LYS 44 8.791 13.178 6.495 324 2HE LYS 44 2HE LYS 44 9.090 12.197 7.940 325 1HZ LYS 44 3HZ LYS 44 11.431 12.818 7.705 326 2HZ LYS 44 1HZ LYS 44 11.180 13.644 6.490 327 3HZ LYS 44 2HZ LYS 44 10.633 14.073 7.809 328 H VAL 45 H VAL 45 7.384 10.315 2.495 329 HA VAL 45 HA VAL 45 8.033 7.718 1.432 330 HB VAL 45 HB VAL 45 8.543 8.943 -0.634 331 1HG1 VAL 45 1HG1 VAL 45 6.019 9.984 0.703 332 2HG1 VAL 45 2HG1 VAL 45 6.337 9.971 -1.039 333 3HG1 VAL 45 3HG1 VAL 45 6.171 8.443 -0.158 334 1HG2 VAL 45 3HG2 VAL 45 8.161 11.451 0.978 335 2HG2 VAL 45 1HG2 VAL 45 9.678 10.846 0.292 336 3HG2 VAL 45 2HG2 VAL 45 8.364 11.360 -0.779 337 H LYS 46 H LYS 46 9.774 6.741 1.928 338 HA LYS 46 HA LYS 46 12.158 8.209 2.738 339 1HB LYS 46 1HB LYS 46 12.336 6.719 4.278 340 2HB LYS 46 2HB LYS 46 10.957 5.818 3.625 341 1HG LYS 46 1HG LYS 46 12.522 4.741 1.986 342 2HG LYS 46 2HG LYS 46 13.868 5.542 2.814 343 1HD LYS 46 1HD LYS 46 12.465 4.339 4.887 344 2HD LYS 46 2HD LYS 46 12.357 3.151 3.576 345 1HE LYS 46 1HE LYS 46 14.544 2.614 3.744 346 2HE LYS 46 2HE LYS 46 15.036 4.314 3.841 347 1HZ LYS 46 1HZ LYS 46 14.032 2.772 6.118 348 2HZ LYS 46 2HZ LYS 46 15.464 3.146 5.932 349 3HZ LYS 46 3HZ LYS 46 14.447 4.202 6.200 350 HA PRO 47 HA PRO 47 14.118 7.398 -1.057 351 1HB PRO 47 1HB PRO 47 16.772 7.515 -0.244 352 2HB PRO 47 2HB PRO 47 15.749 8.919 -0.593 353 1HG PRO 47 1HG PRO 47 16.668 7.876 2.004 354 2HG PRO 47 2HG PRO 47 16.026 9.478 1.600 355 1HD PRO 47 2HD PRO 47 14.660 7.344 2.928 356 2HD PRO 47 1HD PRO 47 13.985 8.902 2.417 357 H GLY 48 H GLY 48 15.052 5.758 -2.227 358 1HA GLY 48 1HA GLY 48 15.996 3.707 -2.722 359 2HA GLY 48 2HA GLY 48 16.283 3.479 -0.988 360 H VAL 49 H VAL 49 13.238 4.388 -1.007 361 HA VAL 49 HA VAL 49 12.102 1.738 -1.552 362 HB VAL 49 HB VAL 49 11.508 3.398 0.879 363 1HG1 VAL 49 3HG1 VAL 49 9.561 2.220 0.111 364 2HG1 VAL 49 1HG1 VAL 49 10.477 0.706 0.026 365 3HG1 VAL 49 2HG1 VAL 49 10.196 1.484 1.592 366 1HG2 VAL 49 1HG2 VAL 49 13.744 2.350 0.985 367 2HG2 VAL 49 2HG2 VAL 49 12.615 1.558 2.097 368 3HG2 VAL 49 3HG2 VAL 49 13.030 0.786 0.558 369 H ASN 50 H ASN 50 10.137 1.773 -2.500 370 HA ASN 50 HA ASN 50 9.188 4.280 -3.577 371 1HB ASN 50 1HB ASN 50 7.922 1.577 -4.042 372 2HB ASN 50 2HB ASN 50 7.886 3.012 -5.084 373 1HD2 ASN 50 2HD2 ASN 50 10.489 1.974 -6.980 374 2HD2 ASN 50 1HD2 ASN 50 9.055 2.762 -6.810 375 H LEU 51 H LEU 51 7.449 5.300 -2.807 376 HA LEU 51 HA LEU 51 5.505 3.908 -1.124 377 1HB LEU 51 1HB LEU 51 7.221 4.937 0.284 378 2HB LEU 51 2HB LEU 51 6.684 6.516 -0.314 379 HG LEU 51 HG LEU 51 4.388 5.942 0.576 380 1HD1 LEU 51 1HD1 LEU 51 5.961 3.761 1.995 381 2HD1 LEU 51 2HD1 LEU 51 4.287 4.223 2.343 382 3HD1 LEU 51 3HD1 LEU 51 4.698 3.499 0.779 383 1HD2 LEU 51 3HD2 LEU 51 6.636 6.264 2.531 384 2HD2 LEU 51 1HD2 LEU 51 5.789 7.545 1.645 385 3HD2 LEU 51 2HD2 LEU 51 4.920 6.574 2.847 386 H ASN 52 H ASN 52 3.462 4.574 -1.462 387 HA ASN 52 HA ASN 52 2.977 6.881 -3.202 388 1HB ASN 52 1HB ASN 52 2.713 4.556 -4.308 389 2HB ASN 52 2HB ASN 52 1.273 4.390 -3.288 390 1HD2 ASN 52 2HD2 ASN 52 1.099 6.275 -6.733 391 2HD2 ASN 52 1HD2 ASN 52 2.273 5.231 -6.245 392 H CYS 53 H CYS 53 1.101 8.012 -2.734 393 HA CYS 53 HA CYS 53 -0.428 7.234 -0.350 394 1HB CYS 53 1HB CYS 53 0.914 9.820 -0.902 395 2HB CYS 53 2HB CYS 53 -0.595 9.773 0.025 396 H CYS 54 H CYS 54 -2.584 7.583 -0.523 397 HA CYS 54 HA CYS 54 -3.751 9.176 -2.609 398 1HB CYS 54 1HB CYS 54 -5.207 7.148 -3.286 399 2HB CYS 54 2HB CYS 54 -3.593 7.325 -3.994 400 NH1 ARG 55 NH2 ARG 55 -6.797 15.507 1.374 401 NH2 ARG 55 NH1 ARG 55 -4.927 16.030 0.108 402 H ARG 55 H ARG 55 -6.092 9.244 -2.380 403 HA ARG 55 HA ARG 55 -6.936 8.794 0.394 404 1HB ARG 55 1HB ARG 55 -7.901 11.049 -1.361 405 2HB ARG 55 2HB ARG 55 -8.183 10.813 0.373 406 1HG ARG 55 1HG ARG 55 -5.540 10.849 0.479 407 2HG ARG 55 2HG ARG 55 -5.705 11.726 -1.053 408 1HD ARG 55 1HD ARG 55 -7.556 13.028 0.459 409 2HD ARG 55 2HD ARG 55 -6.383 12.575 1.708 410 HE ARG 55 HE ARG 55 -4.905 13.622 -0.368 411 1HH1 ARG 55 1HH2 ARG 55 -7.409 14.857 1.698 412 2HH1 ARG 55 2HH2 ARG 55 -6.897 16.418 1.621 413 1HH2 ARG 55 1HH1 ARG 55 -4.216 15.761 -0.461 414 2HH2 ARG 55 2HH1 ARG 55 -5.021 16.945 0.352 415 H THR 56 H THR 56 -7.267 7.306 -2.240 416 HA THR 56 HA THR 56 -10.189 7.242 -2.399 417 HB THR 56 HB THR 56 -9.454 5.868 -4.574 418 HG1 THR 56 HG1 THR 56 -7.418 6.880 -5.357 419 1HG2 THR 56 3HG2 THR 56 -10.651 8.158 -4.544 420 2HG2 THR 56 1HG2 THR 56 -9.062 8.913 -4.335 421 3HG2 THR 56 2HG2 THR 56 -9.435 8.031 -5.825 422 H ASP 57 H ASP 57 -11.259 5.325 -2.152 423 HA ASP 57 HA ASP 57 -10.226 3.411 -0.375 424 1HB ASP 57 1HB ASP 57 -12.749 4.017 -1.523 425 2HB ASP 57 2HB ASP 57 -12.397 2.323 -1.910 426 NH1 ARG 58 NH2 ARG 58 -12.820 -4.047 -3.417 427 NH2 ARG 58 NH1 ARG 58 -11.901 -5.942 -2.447 428 H ARG 58 H ARG 58 -9.477 1.375 -0.747 429 HA ARG 58 HA ARG 58 -8.223 -0.230 -1.800 430 1HB ARG 58 1HB ARG 58 -10.849 -0.126 -2.959 431 2HB ARG 58 2HB ARG 58 -9.672 -0.493 -4.232 432 1HG ARG 58 1HG ARG 58 -8.737 -2.165 -2.382 433 2HG ARG 58 2HG ARG 58 -10.407 -2.068 -1.798 434 1HD ARG 58 1HD ARG 58 -11.086 -2.557 -4.243 435 2HD ARG 58 2HD ARG 58 -9.399 -3.050 -4.473 436 HE ARG 58 HE ARG 58 -9.773 -4.782 -2.838 437 1HH1 ARG 58 1HH2 ARG 58 -12.701 -3.192 -3.813 438 2HH1 ARG 58 2HH2 ARG 58 -13.694 -4.406 -3.312 439 1HH2 ARG 58 1HH1 ARG 58 -11.142 -6.432 -2.155 440 2HH2 ARG 58 2HH1 ARG 58 -12.772 -6.306 -2.339 441 H CYS 59 H CYS 59 -7.689 2.610 -2.405 442 HA CYS 59 HA CYS 59 -6.968 2.919 -5.124 443 1HB CYS 59 1HB CYS 59 -5.794 4.863 -4.506 444 2HB CYS 59 2HB CYS 59 -7.356 4.817 -3.669 445 H ASN 60 H ASN 60 -5.501 1.533 -2.305 446 HA ASN 60 HA ASN 60 -2.895 1.227 -3.534 447 1HB ASN 60 1HB ASN 60 -2.386 -0.024 -1.384 448 2HB ASN 60 2HB ASN 60 -2.813 1.683 -1.180 449 1HD2 ASN 60 2HD2 ASN 60 -4.658 0.124 1.415 450 2HD2 ASN 60 1HD2 ASN 60 -3.138 0.618 1.025 451 H ASN 61 H ASN 61 -3.420 -0.146 -5.243 452 HA ASN 61 HA ASN 61 -4.004 -2.918 -4.494 453 1HB ASN 61 1HB ASN 61 -5.988 -2.179 -5.600 454 2HB ASN 61 2HB ASN 61 -5.058 -1.353 -6.862 455 1HD2 ASN 61 2HD2 ASN 61 -6.012 -4.176 -8.682 456 2HD2 ASN 61 1HD2 ASN 61 -6.442 -2.646 -8.256 Start of MODEL 13 Raw file had 456 H/Q atoms Start of MODEL 13 1 1H LEU 1 2H LEU 1 -14.712 2.535 4.813 2 2H LEU 1 3H LEU 1 -13.812 3.214 5.788 3 3H LEU 1 1H LEU 1 -14.678 4.024 4.883 4 HA LEU 1 HA LEU 1 -13.489 3.339 2.903 5 1HB LEU 1 1HB LEU 1 -12.731 5.280 4.570 6 2HB LEU 1 2HB LEU 1 -11.342 4.199 4.781 7 HG LEU 1 HG LEU 1 -12.069 4.778 1.981 8 1HD1 LEU 1 1HD1 LEU 1 -11.062 7.001 3.717 9 2HD1 LEU 1 2HD1 LEU 1 -11.114 6.997 1.947 10 3HD1 LEU 1 3HD1 LEU 1 -12.619 6.913 2.876 11 1HD2 LEU 1 1HD2 LEU 1 -10.047 3.505 2.615 12 2HD2 LEU 1 2HD2 LEU 1 -9.618 5.015 1.795 13 3HD2 LEU 1 3HD2 LEU 1 -9.469 4.890 3.556 14 H GLU 2 H GLU 2 -12.970 1.539 2.102 15 HA GLU 2 HA GLU 2 -11.601 -0.477 3.695 16 1HB GLU 2 1HB GLU 2 -12.342 -2.095 2.213 17 2HB GLU 2 2HB GLU 2 -13.712 -0.989 2.409 18 1HG GLU 2 1HG GLU 2 -12.980 0.176 0.306 19 2HG GLU 2 2HG GLU 2 -11.762 -1.092 0.089 20 H CYS 3 H CYS 3 -9.497 -0.664 3.517 21 HA CYS 3 HA CYS 3 -8.127 0.291 1.110 22 1HB CYS 3 1HB CYS 3 -7.041 -0.093 3.909 23 2HB CYS 3 2HB CYS 3 -6.100 0.433 2.502 24 H HIS 4 H HIS 4 -6.232 -0.950 0.492 25 HA HIS 4 HA HIS 4 -6.881 -3.666 0.072 26 1HB HIS 4 1HB HIS 4 -4.928 -1.817 -0.905 27 2HB HIS 4 2HB HIS 4 -4.231 -3.415 -0.587 28 HD2 HIS 4 HD2 HIS 4 -5.643 -1.746 -3.516 29 HE1 HIS 4 HE1 HIS 4 -7.103 -5.716 -3.882 30 H ASN 5 H ASN 5 -5.515 -5.459 0.704 31 HA ASN 5 HA ASN 5 -4.130 -5.119 3.268 32 1HB ASN 5 1HB ASN 5 -6.531 -6.644 2.731 33 2HB ASN 5 2HB ASN 5 -5.212 -7.733 3.196 34 1HD2 ASN 5 2HD2 ASN 5 -6.955 -6.741 6.226 35 2HD2 ASN 5 1HD2 ASN 5 -7.295 -7.556 4.837 36 H GLN 6 H GLN 6 -4.717 -7.229 0.496 37 HA GLN 6 HA GLN 6 -2.808 -9.129 0.694 38 1HB GLN 6 1HB GLN 6 -2.510 -8.655 -1.916 39 2HB GLN 6 2HB GLN 6 -3.981 -9.400 -1.264 40 1HG GLN 6 1HG GLN 6 -5.251 -7.507 -1.584 41 2HG GLN 6 2HG GLN 6 -3.868 -6.415 -1.388 42 1HE2 GLN 6 2HE2 GLN 6 -4.121 -5.860 -4.770 43 2HE2 GLN 6 1HE2 GLN 6 -4.356 -5.291 -3.244 44 H GLN 7 H GLN 7 -0.686 -9.368 0.175 45 HA GLN 7 HA GLN 7 0.904 -6.920 -0.071 46 1HB GLN 7 1HB GLN 7 0.885 -7.898 2.289 47 2HB GLN 7 2HB GLN 7 1.738 -9.295 1.611 48 1HG GLN 7 1HG GLN 7 2.939 -6.757 0.794 49 2HG GLN 7 2HG GLN 7 2.909 -6.952 2.556 50 1HE2 GLN 7 2HE2 GLN 7 5.906 -8.455 0.789 51 2HE2 GLN 7 1HE2 GLN 7 5.090 -7.048 0.542 52 H SER 8 H SER 8 2.853 -7.099 -1.119 53 HA SER 8 HA SER 8 4.249 -7.752 -2.805 54 1HB SER 8 1HB SER 8 3.547 -10.297 -1.409 55 2HB SER 8 2HB SER 8 4.293 -10.417 -3.012 56 HG SER 8 HG SER 8 5.903 -10.507 -1.277 57 H SER 9 H SER 9 2.410 -10.607 -3.319 58 HA SER 9 HA SER 9 0.957 -9.394 -5.541 59 1HB SER 9 1HB SER 9 1.517 -11.450 -6.908 60 2HB SER 9 2HB SER 9 2.860 -10.323 -6.646 61 HG SER 9 HG SER 9 3.534 -12.580 -6.392 62 H GLN 10 H GLN 10 -0.009 -10.061 -3.032 63 HA GLN 10 HA GLN 10 -1.297 -12.604 -3.047 64 1HB GLN 10 1HB GLN 10 -1.080 -10.339 -1.224 65 2HB GLN 10 2HB GLN 10 -2.740 -10.949 -1.317 66 1HG GLN 10 1HG GLN 10 -2.166 -13.034 -0.482 67 2HG GLN 10 2HG GLN 10 -0.487 -12.910 -1.033 68 1HE2 GLN 10 2HE2 GLN 10 0.650 -12.068 2.042 69 2HE2 GLN 10 1HE2 GLN 10 0.815 -12.876 0.617 70 HA PRO 11 HA PRO 11 -4.986 -11.764 -5.124 71 1HB PRO 11 1HB PRO 11 -6.983 -12.659 -3.415 72 2HB PRO 11 2HB PRO 11 -5.966 -13.720 -4.406 73 1HG PRO 11 1HG PRO 11 -5.902 -13.253 -1.500 74 2HG PRO 11 2HG PRO 11 -5.213 -14.589 -2.438 75 1HD PRO 11 2HD PRO 11 -3.820 -12.363 -1.307 76 2HD PRO 11 1HD PRO 11 -3.153 -13.635 -2.344 77 HA PRO 12 HA PRO 12 -6.943 -8.065 -4.041 78 1HB PRO 12 1HB PRO 12 -9.524 -8.387 -5.011 79 2HB PRO 12 2HB PRO 12 -8.117 -8.012 -6.020 80 1HG PRO 12 1HG PRO 12 -9.611 -10.537 -5.762 81 2HG PRO 12 2HG PRO 12 -8.505 -10.011 -7.044 82 1HD PRO 12 2HD PRO 12 -7.966 -11.866 -4.935 83 2HD PRO 12 1HD PRO 12 -6.826 -11.252 -6.145 84 H THR 13 H THR 13 -7.086 -7.742 -1.968 85 HA THR 13 HA THR 13 -9.561 -8.424 -0.590 86 HB THR 13 HB THR 13 -8.161 -9.147 1.394 87 HG1 THR 13 HG1 THR 13 -5.875 -9.858 0.656 88 1HG2 THR 13 1HG2 THR 13 -7.827 -10.840 -1.105 89 2HG2 THR 13 2HG2 THR 13 -7.662 -11.410 0.565 90 3HG2 THR 13 3HG2 THR 13 -9.235 -10.851 -0.030 91 H THR 14 H THR 14 -10.255 -6.985 0.800 92 HA THR 14 HA THR 14 -8.579 -4.655 1.403 93 HB THR 14 HB THR 14 -11.448 -4.132 0.962 94 HG1 THR 14 HG1 THR 14 -11.009 -4.226 -1.501 95 1HG2 THR 14 1HG2 THR 14 -8.945 -2.855 -0.183 96 2HG2 THR 14 2HG2 THR 14 -10.591 -2.216 -0.319 97 3HG2 THR 14 3HG2 THR 14 -9.808 -2.317 1.267 98 H LYS 15 H LYS 15 -9.740 -3.264 3.057 99 HA LYS 15 HA LYS 15 -11.400 -4.524 4.978 100 1HB LYS 15 1HB LYS 15 -9.824 -4.821 6.766 101 2HB LYS 15 2HB LYS 15 -9.186 -5.688 5.358 102 1HG LYS 15 1HG LYS 15 -7.376 -4.342 5.203 103 2HG LYS 15 2HG LYS 15 -8.325 -2.877 5.514 104 1HD LYS 15 1HD LYS 15 -8.331 -3.392 7.923 105 2HD LYS 15 2HD LYS 15 -7.389 -4.860 7.614 106 1HE LYS 15 1HE LYS 15 -5.476 -3.688 7.644 107 2HE LYS 15 2HE LYS 15 -6.086 -2.599 6.386 108 1HZ LYS 15 1HZ LYS 15 -6.604 -2.242 9.244 109 2HZ LYS 15 2HZ LYS 15 -5.653 -1.403 8.459 110 3HZ LYS 15 3HZ LYS 15 -7.116 -1.325 8.186 111 H THR 16 H THR 16 -12.295 -3.158 6.325 112 HA THR 16 HA THR 16 -12.129 -0.383 5.679 113 HB THR 16 HB THR 16 -13.815 -1.973 7.612 114 HG1 THR 16 HG1 THR 16 -15.419 -1.371 5.924 115 1HG2 THR 16 3HG2 THR 16 -13.567 0.494 8.340 116 2HG2 THR 16 1HG2 THR 16 -14.063 0.958 6.704 117 3HG2 THR 16 2HG2 THR 16 -15.196 0.104 7.764 118 H CYS 17 H CYS 17 -11.071 1.157 6.733 119 HA CYS 17 HA CYS 17 -9.449 0.436 9.049 120 1HB CYS 17 1HB CYS 17 -9.241 2.685 7.049 121 2HB CYS 17 2HB CYS 17 -8.313 2.655 8.558 122 H SER 18 H SER 18 -9.337 1.885 10.813 123 HA SER 18 HA SER 18 -11.905 3.169 11.367 124 1HB SER 18 1HB SER 18 -10.951 1.284 12.835 125 2HB SER 18 2HB SER 18 -9.868 2.539 13.463 126 HG SER 18 HG SER 18 -11.804 2.285 14.805 127 H GLY 19 H GLY 19 -11.941 5.212 12.307 128 1HA GLY 19 1HA GLY 19 -11.389 7.458 12.148 129 2HA GLY 19 2HA GLY 19 -10.125 6.901 13.258 130 H GLU 20 H GLU 20 -10.565 6.186 9.836 131 HA GLU 20 HA GLU 20 -8.502 7.927 8.930 132 1HB GLU 20 1HB GLU 20 -7.477 5.681 10.032 133 2HB GLU 20 2HB GLU 20 -7.794 5.089 8.392 134 1HG GLU 20 1HG GLU 20 -6.638 7.472 7.816 135 2HG GLU 20 2HG GLU 20 -5.825 7.096 9.346 136 H THR 21 H THR 21 -8.561 8.254 6.815 137 HA THR 21 HA THR 21 -10.262 6.565 5.147 138 HB THR 21 HB THR 21 -11.296 8.704 4.239 139 HG1 THR 21 HG1 THR 21 -11.102 10.546 5.773 140 1HG2 THR 21 3HG2 THR 21 -12.476 7.260 6.030 141 2HG2 THR 21 1HG2 THR 21 -11.651 8.231 7.261 142 3HG2 THR 21 2HG2 THR 21 -12.839 8.987 6.185 143 H ASN 22 H ASN 22 -7.561 6.454 5.095 144 HA ASN 22 HA ASN 22 -6.946 7.443 2.442 145 1HB ASN 22 1HB ASN 22 -5.170 7.983 4.844 146 2HB ASN 22 2HB ASN 22 -4.718 8.264 3.153 147 1HD2 ASN 22 2HD2 ASN 22 -7.533 10.588 5.015 148 2HD2 ASN 22 1HD2 ASN 22 -7.242 9.042 5.497 149 H CYS 23 H CYS 23 -5.243 6.256 1.481 150 HA CYS 23 HA CYS 23 -4.105 3.981 2.898 151 1HB CYS 23 1HB CYS 23 -5.272 3.344 0.272 152 2HB CYS 23 2HB CYS 23 -4.960 2.321 1.686 153 OH TYR 24 OH TYR 24 2.369 1.554 5.320 154 H TYR 24 H TYR 24 -2.233 3.226 1.882 155 HA TYR 24 HA TYR 24 -1.202 4.697 -0.437 156 1HB TYR 24 1HB TYR 24 0.783 5.257 0.740 157 2HB TYR 24 2HB TYR 24 -0.539 5.644 1.855 158 HD1 TYR 24 HD1 TYR 24 2.121 3.174 1.100 159 HD2 TYR 24 HD2 TYR 24 -0.729 4.562 3.958 160 HE1 TYR 24 HE1 TYR 24 3.181 1.706 2.878 161 HE2 TYR 24 HE2 TYR 24 0.339 3.090 5.728 162 HH TYR 24 HH TYR 24 1.838 1.677 6.258 163 H LYS 25 H LYS 25 0.521 3.614 -1.486 164 HA LYS 25 HA LYS 25 0.883 0.777 -0.822 165 1HB LYS 25 1HB LYS 25 0.994 0.414 -3.329 166 2HB LYS 25 2HB LYS 25 -0.580 0.577 -2.533 167 1HG LYS 25 1HG LYS 25 -0.637 2.971 -3.188 168 2HG LYS 25 2HG LYS 25 0.906 2.759 -4.034 169 1HD LYS 25 1HD LYS 25 -0.795 0.699 -4.964 170 2HD LYS 25 2HD LYS 25 -1.769 2.180 -4.953 171 1HE LYS 25 1HE LYS 25 0.970 1.915 -6.236 172 2HE LYS 25 2HE LYS 25 -0.570 1.832 -7.109 173 1HZ LYS 25 3HZ LYS 25 -0.956 4.115 -6.360 174 2HZ LYS 25 1HZ LYS 25 0.341 4.185 -5.626 175 3HZ LYS 25 2HZ LYS 25 0.331 4.091 -7.113 176 H LYS 26 H LYS 26 2.924 0.003 -1.127 177 HA LYS 26 HA LYS 26 5.002 1.755 -2.196 178 1HB LYS 26 1HB LYS 26 6.433 1.035 -0.211 179 2HB LYS 26 2HB LYS 26 5.280 2.373 -0.050 180 1HG LYS 26 1HG LYS 26 3.715 1.016 1.122 181 2HG LYS 26 2HG LYS 26 4.569 -0.475 0.685 182 1HD LYS 26 1HD LYS 26 5.753 1.707 2.429 183 2HD LYS 26 2HD LYS 26 4.934 0.269 3.063 184 1HE LYS 26 1HE LYS 26 6.633 -1.024 1.529 185 2HE LYS 26 2HE LYS 26 7.562 0.483 1.616 186 1HZ LYS 26 3HZ LYS 26 7.508 0.211 4.033 187 2HZ LYS 26 1HZ LYS 26 6.727 -1.058 3.959 188 3HZ LYS 26 2HZ LYS 26 8.127 -1.014 3.447 189 CH2 TRP 27 CH2 TRP 27 4.556 3.126 -6.428 190 H TRP 27 H TRP 27 6.750 0.637 -3.025 191 HA TRP 27 HA TRP 27 6.876 -2.258 -2.905 192 1HB TRP 27 1HB TRP 27 6.824 -2.594 -5.265 193 2HB TRP 27 2HB TRP 27 5.299 -1.919 -4.667 194 HD1 TRP 27 HD1 TRP 27 7.913 -1.314 -7.274 195 HE1 TRP 27 HE1 TRP 27 7.465 0.893 -8.485 196 HE3 TRP 27 HE3 TRP 27 4.404 0.559 -4.122 197 HZ2 TRP 27 HZ2 TRP 27 5.833 3.187 -8.188 198 HZ3 TRP 27 HZ3 TRP 27 3.435 2.789 -4.655 199 HH2 TRP 27 HH2 TRP 27 4.098 4.093 -6.607 200 CH2 TRP 28 CH2 TRP 28 9.382 -4.570 1.465 201 H TRP 28 H TRP 28 8.894 -3.006 -3.814 202 HA TRP 28 HA TRP 28 10.937 -1.214 -4.661 203 1HB TRP 28 1HB TRP 28 12.353 -1.223 -2.809 204 2HB TRP 28 2HB TRP 28 10.756 -0.934 -2.101 205 HD1 TRP 28 HD1 TRP 28 13.443 -3.692 -2.334 206 HE1 TRP 28 HE1 TRP 28 13.011 -5.407 -0.488 207 HE3 TRP 28 HE3 TRP 28 9.011 -1.872 -0.660 208 HZ2 TRP 28 HZ2 TRP 28 11.049 -5.970 1.473 209 HZ3 TRP 28 HZ3 TRP 28 7.903 -3.064 1.225 210 HH2 TRP 28 HH2 TRP 28 8.853 -5.047 2.283 211 H SER 29 H SER 29 12.287 -2.255 -5.889 212 HA SER 29 HA SER 29 11.955 -5.093 -6.271 213 1HB SER 29 1HB SER 29 13.538 -4.776 -8.163 214 2HB SER 29 2HB SER 29 12.115 -3.725 -8.267 215 HG SER 29 HG SER 29 14.106 -2.579 -8.838 216 H ASP 30 H ASP 30 13.583 -6.600 -6.133 217 HA ASP 30 HA ASP 30 15.783 -5.904 -4.317 218 1HB ASP 30 1HB ASP 30 15.779 -8.246 -3.623 219 2HB ASP 30 2HB ASP 30 14.195 -7.500 -3.345 220 H HIS 31 H HIS 31 17.214 -8.239 -4.641 221 HA HIS 31 HA HIS 31 18.957 -7.753 -6.683 222 1HB HIS 31 1HB HIS 31 18.436 -10.040 -4.951 223 2HB HIS 31 2HB HIS 31 19.296 -10.379 -6.464 224 HD2 HIS 31 HD2 HIS 31 21.609 -8.435 -6.755 225 HE1 HIS 31 HE1 HIS 31 22.237 -8.504 -2.557 226 NH1 ARG 32 NH2 ARG 32 18.693 -14.078 -13.612 227 NH2 ARG 32 NH1 ARG 32 20.563 -14.671 -12.378 228 H ARG 32 H ARG 32 16.517 -10.329 -6.694 229 HA ARG 32 HA ARG 32 16.001 -9.856 -9.522 230 1HB ARG 32 1HB ARG 32 17.158 -12.324 -8.321 231 2HB ARG 32 2HB ARG 32 15.878 -12.547 -9.527 232 1HG ARG 32 1HG ARG 32 17.419 -10.664 -10.760 233 2HG ARG 32 2HG ARG 32 18.651 -11.562 -9.858 234 1HD ARG 32 1HD ARG 32 16.821 -13.424 -11.077 235 2HD ARG 32 2HD ARG 32 17.409 -12.290 -12.306 236 HE ARG 32 HE ARG 32 19.430 -13.450 -10.576 237 1HH1 ARG 32 1HH2 ARG 32 17.852 -13.640 -13.662 238 2HH1 ARG 32 2HH2 ARG 32 19.043 -14.525 -14.375 239 1HH2 ARG 32 1HH1 ARG 32 21.050 -14.658 -11.563 240 2HH2 ARG 32 2HH1 ARG 32 20.919 -15.120 -13.137 241 H GLY 33 H GLY 33 14.279 -8.944 -7.863 242 1HA GLY 33 1HA GLY 33 11.901 -10.387 -8.338 243 2HA GLY 33 2HA GLY 33 12.375 -10.499 -6.633 244 H THR 34 H THR 34 10.178 -9.374 -6.625 245 HA THR 34 HA THR 34 10.605 -6.552 -6.150 246 HB THR 34 HB THR 34 8.770 -7.671 -8.301 247 HG1 THR 34 HG1 THR 34 9.870 -5.884 -9.477 248 1HG2 THR 34 3HG2 THR 34 7.476 -5.988 -6.830 249 2HG2 THR 34 1HG2 THR 34 8.789 -4.833 -7.108 250 3HG2 THR 34 2HG2 THR 34 7.788 -5.379 -8.464 251 H ILE 35 H ILE 35 9.887 -6.129 -4.281 252 HA ILE 35 HA ILE 35 7.725 -7.735 -3.134 253 HB ILE 35 HB ILE 35 9.777 -5.964 -1.765 254 1HG1 ILE 35 1HG1 ILE 35 9.781 -8.793 -1.077 255 2HG1 ILE 35 2HG1 ILE 35 10.088 -8.546 -2.805 256 1HG2 ILE 35 1HG2 ILE 35 7.643 -7.683 -0.553 257 2HG2 ILE 35 2HG2 ILE 35 8.944 -6.856 0.322 258 3HG2 ILE 35 3HG2 ILE 35 7.726 -5.913 -0.555 259 1HD1 ILE 35 1HD1 ILE 35 11.593 -7.206 -0.527 260 2HD1 ILE 35 2HD1 ILE 35 12.196 -8.544 -1.520 261 3HD1 ILE 35 3HD1 ILE 35 11.900 -6.960 -2.255 262 H ILE 36 H ILE 36 5.920 -6.902 -2.386 263 HA ILE 36 HA ILE 36 5.442 -4.042 -2.821 264 HB ILE 36 HB ILE 36 3.296 -6.097 -3.309 265 1HG1 ILE 36 1HG1 ILE 36 5.319 -6.648 -4.731 266 2HG1 ILE 36 2HG1 ILE 36 3.850 -6.244 -5.636 267 1HG2 ILE 36 3HG2 ILE 36 2.572 -3.846 -3.030 268 2HG2 ILE 36 1HG2 ILE 36 3.681 -3.295 -4.297 269 3HG2 ILE 36 2HG2 ILE 36 2.337 -4.374 -4.706 270 1HD1 ILE 36 1HD1 ILE 36 6.149 -4.343 -5.049 271 2HD1 ILE 36 2HD1 ILE 36 5.825 -5.124 -6.606 272 3HD1 ILE 36 3HD1 ILE 36 4.681 -3.939 -5.954 273 H GLU 37 H GLU 37 3.959 -3.060 -1.510 274 HA GLU 37 HA GLU 37 2.868 -4.446 0.760 275 1HB GLU 37 1HB GLU 37 5.027 -4.111 1.701 276 2HB GLU 37 2HB GLU 37 5.150 -2.477 1.025 277 1HG GLU 37 1HG GLU 37 4.670 -2.380 3.428 278 2HG GLU 37 2HG GLU 37 3.305 -1.741 2.495 279 NH1 ARG 38 NH2 ARG 38 -1.869 -4.752 -2.346 280 NH2 ARG 38 NH1 ARG 38 -1.472 -4.476 -4.614 281 H ARG 38 H ARG 38 1.204 -3.441 1.664 282 HA ARG 38 HA ARG 38 0.551 -0.714 0.877 283 1HB ARG 38 1HB ARG 38 -1.175 -3.152 0.397 284 2HB ARG 38 2HB ARG 38 -1.851 -1.517 0.502 285 1HG ARG 38 1HG ARG 38 -1.507 -1.806 -1.800 286 2HG ARG 38 2HG ARG 38 -0.069 -0.907 -1.286 287 1HD ARG 38 1HD ARG 38 1.321 -2.625 -1.782 288 2HD ARG 38 2HD ARG 38 0.225 -3.830 -1.087 289 HE ARG 38 HE ARG 38 0.326 -2.991 -3.845 290 1HH1 ARG 38 1HH2 ARG 38 -1.644 -4.548 -1.446 291 2HH1 ARG 38 2HH2 ARG 38 -2.589 -5.344 -2.534 292 1HH2 ARG 38 1HH1 ARG 38 -0.974 -4.084 -5.321 293 2HH2 ARG 38 2HH1 ARG 38 -2.189 -5.067 -4.810 294 H GLY 39 H GLY 39 -1.225 0.159 2.140 295 1HA GLY 39 1HA GLY 39 -2.303 -1.032 4.424 296 2HA GLY 39 2HA GLY 39 -0.850 -0.125 4.880 297 H CYS 40 H CYS 40 -2.840 0.863 6.079 298 HA CYS 40 HA CYS 40 -4.215 2.902 4.519 299 1HB CYS 40 1HB CYS 40 -4.767 1.533 7.016 300 2HB CYS 40 2HB CYS 40 -5.052 3.281 7.059 301 H GLY 41 H GLY 41 -4.313 5.065 5.701 302 1HA GLY 41 1HA GLY 41 -3.347 6.893 6.732 303 2HA GLY 41 2HA GLY 41 -2.031 5.834 7.264 304 H CYS 42 H CYS 42 -0.652 7.603 6.624 305 HA CYS 42 HA CYS 42 0.303 7.322 3.910 306 1HB CYS 42 1HB CYS 42 -1.346 9.040 3.631 307 2HB CYS 42 2HB CYS 42 -0.582 10.000 4.909 308 HA PRO 43 HA PRO 43 3.566 7.738 7.007 309 1HB PRO 43 1HB PRO 43 5.223 5.826 5.860 310 2HB PRO 43 2HB PRO 43 4.027 5.509 7.128 311 1HG PRO 43 1HG PRO 43 3.934 4.834 4.263 312 2HG PRO 43 2HG PRO 43 2.986 4.170 5.605 313 1HD PRO 43 2HD PRO 43 2.128 6.068 3.643 314 2HD PRO 43 1HD PRO 43 1.222 5.494 5.053 315 H LYS 44 H LYS 44 6.048 7.944 6.531 316 HA LYS 44 HA LYS 44 6.319 9.985 4.494 317 1HB LYS 44 1HB LYS 44 7.193 10.207 6.901 318 2HB LYS 44 2HB LYS 44 8.460 9.062 6.424 319 1HG LYS 44 1HG LYS 44 9.568 10.612 5.198 320 2HG LYS 44 2HG LYS 44 8.073 11.296 4.536 321 1HD LYS 44 1HD LYS 44 8.014 11.986 7.246 322 2HD LYS 44 2HD LYS 44 9.706 12.214 6.769 323 1HE LYS 44 1HE LYS 44 9.180 14.114 5.704 324 2HE LYS 44 2HE LYS 44 8.002 13.251 4.698 325 1HZ LYS 44 1HZ LYS 44 7.395 14.354 7.339 326 2HZ LYS 44 2HZ LYS 44 6.926 14.956 6.058 327 3HZ LYS 44 3HZ LYS 44 6.405 13.628 6.494 328 H VAL 45 H VAL 45 7.139 9.752 2.627 329 HA VAL 45 HA VAL 45 7.959 7.169 1.692 330 HB VAL 45 HB VAL 45 6.517 8.593 0.352 331 1HG1 VAL 45 3HG1 VAL 45 7.349 10.761 0.968 332 2HG1 VAL 45 1HG1 VAL 45 8.888 10.432 0.155 333 3HG1 VAL 45 2HG1 VAL 45 7.394 10.549 -0.790 334 1HG2 VAL 45 3HG2 VAL 45 9.243 8.066 -0.887 335 2HG2 VAL 45 1HG2 VAL 45 7.930 6.885 -0.739 336 3HG2 VAL 45 2HG2 VAL 45 7.730 8.307 -1.777 337 H LYS 46 H LYS 46 9.946 6.490 2.031 338 HA LYS 46 HA LYS 46 12.159 8.360 2.332 339 1HB LYS 46 1HB LYS 46 11.784 5.438 3.008 340 2HB LYS 46 2HB LYS 46 13.393 6.181 2.963 341 1HG LYS 46 1HG LYS 46 12.660 7.857 4.622 342 2HG LYS 46 2HG LYS 46 11.060 7.097 4.677 343 1HD LYS 46 1HD LYS 46 12.395 4.926 5.262 344 2HD LYS 46 2HD LYS 46 13.697 6.049 5.687 345 1HE LYS 46 1HE LYS 46 12.049 7.252 7.179 346 2HE LYS 46 2HE LYS 46 10.906 5.933 6.871 347 1HZ LYS 46 1HZ LYS 46 13.527 5.563 8.118 348 2HZ LYS 46 2HZ LYS 46 12.236 5.507 8.862 349 3HZ LYS 46 3HZ LYS 46 12.566 4.453 7.859 350 HA PRO 47 HA PRO 47 13.780 7.691 -1.576 351 1HB PRO 47 1HB PRO 47 16.489 8.023 -1.064 352 2HB PRO 47 2HB PRO 47 15.333 9.356 -1.235 353 1HG PRO 47 1HG PRO 47 16.635 8.310 1.192 354 2HG PRO 47 2HG PRO 47 15.836 9.870 0.929 355 1HD PRO 47 2HD PRO 47 14.800 7.601 2.328 356 2HD PRO 47 1HD PRO 47 13.958 9.117 1.963 357 H GLY 48 H GLY 48 14.282 6.060 -2.810 358 1HA GLY 48 1HA GLY 48 15.614 4.172 -3.440 359 2HA GLY 48 2HA GLY 48 15.783 3.801 -1.715 360 H VAL 49 H VAL 49 12.946 4.347 -1.230 361 HA VAL 49 HA VAL 49 11.786 1.907 -2.378 362 HB VAL 49 HB VAL 49 11.269 3.230 0.308 363 1HG1 VAL 49 3HG1 VAL 49 9.212 2.355 -0.568 364 2HG1 VAL 49 1HG1 VAL 49 9.977 0.788 -0.878 365 3HG1 VAL 49 2HG1 VAL 49 9.788 1.367 0.785 366 1HG2 VAL 49 1HG2 VAL 49 13.395 1.976 0.222 367 2HG2 VAL 49 2HG2 VAL 49 12.206 1.148 1.242 368 3HG2 VAL 49 3HG2 VAL 49 12.534 0.557 -0.395 369 H ASN 50 H ASN 50 9.829 1.940 -3.239 370 HA ASN 50 HA ASN 50 8.832 4.519 -4.081 371 1HB ASN 50 1HB ASN 50 7.911 1.718 -4.809 372 2HB ASN 50 2HB ASN 50 7.326 3.222 -5.542 373 1HD2 ASN 50 2HD2 ASN 50 10.324 1.368 -7.161 374 2HD2 ASN 50 1HD2 ASN 50 9.111 0.738 -6.245 375 H LEU 51 H LEU 51 7.060 5.424 -3.245 376 HA LEU 51 HA LEU 51 4.974 3.922 -1.953 377 1HB LEU 51 1HB LEU 51 6.274 4.105 -0.026 378 2HB LEU 51 2HB LEU 51 6.870 5.715 -0.467 379 HG LEU 51 HG LEU 51 4.672 6.669 0.055 380 1HD1 LEU 51 3HD1 LEU 51 3.258 4.854 -0.558 381 2HD1 LEU 51 1HD1 LEU 51 3.852 3.885 0.801 382 3HD1 LEU 51 2HD1 LEU 51 2.929 5.366 1.106 383 1HD2 LEU 51 3HD2 LEU 51 5.782 4.929 2.287 384 2HD2 LEU 51 1HD2 LEU 51 6.373 6.538 1.842 385 3HD2 LEU 51 2HD2 LEU 51 4.739 6.346 2.501 386 H ASN 52 H ASN 52 3.103 4.733 -2.296 387 HA ASN 52 HA ASN 52 2.887 7.515 -3.188 388 1HB ASN 52 1HB ASN 52 2.657 5.530 -4.961 389 2HB ASN 52 2HB ASN 52 1.013 5.469 -4.302 390 1HD2 ASN 52 2HD2 ASN 52 1.628 7.885 -7.198 391 2HD2 ASN 52 1HD2 ASN 52 2.274 6.402 -6.894 392 H CYS 53 H CYS 53 1.272 8.599 -2.229 393 HA CYS 53 HA CYS 53 -0.556 7.152 -0.457 394 1HB CYS 53 1HB CYS 53 0.639 9.907 -0.319 395 2HB CYS 53 2HB CYS 53 -0.871 9.528 0.528 396 H CYS 54 H CYS 54 -2.695 7.487 -0.588 397 HA CYS 54 HA CYS 54 -3.815 9.384 -2.453 398 1HB CYS 54 1HB CYS 54 -5.253 7.343 -3.330 399 2HB CYS 54 2HB CYS 54 -3.723 7.805 -4.096 400 NH1 ARG 55 NH2 ARG 55 -6.952 15.507 1.607 401 NH2 ARG 55 NH1 ARG 55 -7.755 14.513 3.541 402 H ARG 55 H ARG 55 -6.123 9.504 -2.248 403 HA ARG 55 HA ARG 55 -7.006 8.823 0.461 404 1HB ARG 55 1HB ARG 55 -8.072 10.997 -1.347 405 2HB ARG 55 2HB ARG 55 -8.527 10.690 0.338 406 1HG ARG 55 1HG ARG 55 -6.197 11.154 1.037 407 2HG ARG 55 2HG ARG 55 -5.771 11.497 -0.649 408 1HD ARG 55 1HD ARG 55 -6.217 13.647 0.003 409 2HD ARG 55 2HD ARG 55 -7.878 13.165 -0.384 410 HE ARG 55 HE ARG 55 -7.730 12.469 2.178 411 1HH1 ARG 55 1HH2 ARG 55 -6.683 15.430 0.699 412 2HH1 ARG 55 2HH2 ARG 55 -6.923 16.352 2.041 413 1HH2 ARG 55 1HH1 ARG 55 -8.053 13.741 4.007 414 2HH2 ARG 55 2HH1 ARG 55 -7.728 15.354 3.982 415 H THR 56 H THR 56 -7.173 7.379 -2.258 416 HA THR 56 HA THR 56 -10.067 7.008 -2.432 417 HB THR 56 HB THR 56 -9.229 5.710 -4.582 418 HG1 THR 56 HG1 THR 56 -7.196 6.759 -5.325 419 1HG2 THR 56 3HG2 THR 56 -10.470 7.976 -4.582 420 2HG2 THR 56 1HG2 THR 56 -8.901 8.762 -4.343 421 3HG2 THR 56 2HG2 THR 56 -9.226 7.870 -5.838 422 H ASP 57 H ASP 57 -10.972 5.033 -2.113 423 HA ASP 57 HA ASP 57 -9.751 3.218 -0.341 424 1HB ASP 57 1HB ASP 57 -12.324 3.379 -1.812 425 2HB ASP 57 2HB ASP 57 -11.784 1.756 -1.350 426 NH1 ARG 58 NH2 ARG 58 -10.135 -5.510 -5.235 427 NH2 ARG 58 NH1 ARG 58 -10.411 -4.278 -7.179 428 H ARG 58 H ARG 58 -8.964 1.181 -0.727 429 HA ARG 58 HA ARG 58 -7.692 -0.395 -1.805 430 1HB ARG 58 1HB ARG 58 -10.171 -0.801 -2.547 431 2HB ARG 58 2HB ARG 58 -9.583 -0.220 -4.115 432 1HG ARG 58 1HG ARG 58 -8.031 -1.983 -4.317 433 2HG ARG 58 2HG ARG 58 -8.117 -2.375 -2.591 434 1HD ARG 58 1HD ARG 58 -9.459 -4.060 -3.381 435 2HD ARG 58 2HD ARG 58 -10.693 -2.795 -3.240 436 HE ARG 58 HE ARG 58 -10.076 -2.354 -5.690 437 1HH1 ARG 58 1HH2 ARG 58 -9.979 -5.534 -4.299 438 2HH1 ARG 58 2HH2 ARG 58 -10.252 -6.319 -5.719 439 1HH2 ARG 58 1HH1 ARG 58 -10.450 -3.439 -7.625 440 2HH2 ARG 58 2HH1 ARG 58 -10.528 -5.083 -7.670 441 H CYS 59 H CYS 59 -7.316 2.533 -2.420 442 HA CYS 59 HA CYS 59 -6.502 2.773 -5.138 443 1HB CYS 59 1HB CYS 59 -5.731 4.891 -4.660 444 2HB CYS 59 2HB CYS 59 -7.211 4.672 -3.710 445 H ASN 60 H ASN 60 -5.157 1.555 -2.231 446 HA ASN 60 HA ASN 60 -2.411 1.615 -3.160 447 1HB ASN 60 1HB ASN 60 -2.038 0.294 -0.990 448 2HB ASN 60 2HB ASN 60 -2.574 1.974 -0.816 449 1HD2 ASN 60 2HD2 ASN 60 -4.527 0.035 1.517 450 2HD2 ASN 60 1HD2 ASN 60 -2.961 0.486 1.287 451 H ASN 61 H ASN 61 -2.524 0.250 -4.937 452 HA ASN 61 HA ASN 61 -2.637 -2.598 -4.328 453 1HB ASN 61 1HB ASN 61 -4.830 -2.209 -5.262 454 2HB ASN 61 2HB ASN 61 -4.153 -1.223 -6.570 455 1HD2 ASN 61 2HD2 ASN 61 -4.700 -5.094 -7.024 456 2HD2 ASN 61 1HD2 ASN 61 -5.386 -4.140 -5.872 Start of MODEL 14 Raw file had 456 H/Q atoms Start of MODEL 14 1 1H LEU 1 2H LEU 1 -13.719 3.377 5.227 2 2H LEU 1 3H LEU 1 -12.531 4.038 5.840 3 3H LEU 1 1H LEU 1 -13.525 4.847 5.078 4 HA LEU 1 HA LEU 1 -12.977 3.803 2.978 5 1HB LEU 1 1HB LEU 1 -11.623 5.802 4.108 6 2HB LEU 1 2HB LEU 1 -10.337 4.582 4.120 7 HG LEU 1 HG LEU 1 -11.637 4.798 1.522 8 1HD1 LEU 1 1HD1 LEU 1 -10.176 7.227 2.621 9 2HD1 LEU 1 2HD1 LEU 1 -10.662 6.987 0.934 10 3HD1 LEU 1 3HD1 LEU 1 -11.894 7.162 2.195 11 1HD2 LEU 1 3HD2 LEU 1 -8.783 4.984 2.409 12 2HD2 LEU 1 1HD2 LEU 1 -9.645 3.540 1.854 13 3HD2 LEU 1 2HD2 LEU 1 -9.356 4.883 0.735 14 H GLU 2 H GLU 2 -12.540 2.007 2.095 15 HA GLU 2 HA GLU 2 -11.264 -0.091 3.663 16 1HB GLU 2 1HB GLU 2 -13.503 -0.095 1.982 17 2HB GLU 2 2HB GLU 2 -12.237 -0.905 1.042 18 1HG GLU 2 1HG GLU 2 -12.120 -2.683 2.476 19 2HG GLU 2 2HG GLU 2 -12.483 -1.695 3.900 20 H CYS 3 H CYS 3 -9.220 -0.340 3.476 21 HA CYS 3 HA CYS 3 -7.840 0.370 0.994 22 1HB CYS 3 1HB CYS 3 -6.733 -0.029 3.747 23 2HB CYS 3 2HB CYS 3 -5.791 0.325 2.288 24 H HIS 4 H HIS 4 -6.195 -1.120 0.271 25 HA HIS 4 HA HIS 4 -7.089 -3.821 0.197 26 1HB HIS 4 1HB HIS 4 -5.181 -2.166 -1.235 27 2HB HIS 4 2HB HIS 4 -4.484 -3.744 -0.828 28 HD2 HIS 4 HD2 HIS 4 -6.138 -2.349 -3.764 29 HE1 HIS 4 HE1 HIS 4 -7.750 -6.272 -3.547 30 H ASN 5 H ASN 5 -5.647 -5.631 0.633 31 HA ASN 5 HA ASN 5 -4.110 -5.231 3.103 32 1HB ASN 5 1HB ASN 5 -6.507 -6.800 2.712 33 2HB ASN 5 2HB ASN 5 -5.147 -7.870 3.097 34 1HD2 ASN 5 2HD2 ASN 5 -6.571 -7.042 6.275 35 2HD2 ASN 5 1HD2 ASN 5 -6.902 -7.937 4.935 36 H GLN 6 H GLN 6 -4.793 -7.387 0.388 37 HA GLN 6 HA GLN 6 -2.895 -9.274 0.461 38 1HB GLN 6 1HB GLN 6 -2.668 -8.803 -2.115 39 2HB GLN 6 2HB GLN 6 -4.120 -9.525 -1.401 40 1HG GLN 6 1HG GLN 6 -5.394 -7.674 -1.789 41 2HG GLN 6 2HG GLN 6 -4.053 -6.557 -1.482 42 1HE2 GLN 6 2HE2 GLN 6 -3.956 -5.828 -4.808 43 2HE2 GLN 6 1HE2 GLN 6 -4.158 -5.332 -3.252 44 H GLN 7 H GLN 7 -0.742 -9.449 0.029 45 HA GLN 7 HA GLN 7 0.804 -6.966 -0.218 46 1HB GLN 7 1HB GLN 7 0.849 -8.804 1.893 47 2HB GLN 7 2HB GLN 7 2.361 -9.017 0.994 48 1HG GLN 7 1HG GLN 7 2.449 -6.403 1.025 49 2HG GLN 7 2HG GLN 7 1.293 -6.555 2.361 50 1HE2 GLN 7 2HE2 GLN 7 3.764 -6.944 4.645 51 2HE2 GLN 7 1HE2 GLN 7 2.331 -6.283 4.176 52 H SER 8 H SER 8 2.754 -7.124 -1.379 53 HA SER 8 HA SER 8 4.065 -7.681 -3.171 54 1HB SER 8 1HB SER 8 3.521 -10.255 -1.813 55 2HB SER 8 2HB SER 8 4.186 -10.311 -3.454 56 HG SER 8 HG SER 8 5.886 -10.359 -1.806 57 H SER 9 H SER 9 2.281 -10.583 -3.644 58 HA SER 9 HA SER 9 0.664 -9.404 -5.771 59 1HB SER 9 1HB SER 9 1.208 -11.450 -7.169 60 2HB SER 9 2HB SER 9 2.517 -10.269 -6.993 61 HG SER 9 HG SER 9 3.296 -12.494 -6.777 62 H GLN 10 H GLN 10 -0.223 -10.039 -3.272 63 HA GLN 10 HA GLN 10 -1.372 -12.637 -3.121 64 1HB GLN 10 1HB GLN 10 -1.197 -10.336 -1.410 65 2HB GLN 10 2HB GLN 10 -2.841 -10.998 -1.437 66 1HG GLN 10 1HG GLN 10 -2.227 -12.868 -0.331 67 2HG GLN 10 2HG GLN 10 -0.757 -13.064 -1.303 68 1HE2 GLN 10 2HE2 GLN 10 1.343 -12.023 1.137 69 2HE2 GLN 10 1HE2 GLN 10 1.043 -12.880 -0.236 70 HA PRO 11 HA PRO 11 -5.169 -12.010 -5.129 71 1HB PRO 11 1HB PRO 11 -7.098 -12.872 -3.323 72 2HB PRO 11 2HB PRO 11 -6.087 -13.933 -4.321 73 1HG PRO 11 1HG PRO 11 -5.930 -13.377 -1.433 74 2HG PRO 11 2HG PRO 11 -5.237 -14.721 -2.358 75 1HD PRO 11 2HD PRO 11 -3.870 -12.422 -1.345 76 2HD PRO 11 1HD PRO 11 -3.204 -13.705 -2.369 77 HA PRO 12 HA PRO 12 -7.228 -8.305 -4.086 78 1HB PRO 12 1HB PRO 12 -9.838 -8.740 -4.926 79 2HB PRO 12 2HB PRO 12 -8.490 -8.358 -6.010 80 1HG PRO 12 1HG PRO 12 -9.889 -10.917 -5.598 81 2HG PRO 12 2HG PRO 12 -8.860 -10.404 -6.947 82 1HD PRO 12 2HD PRO 12 -8.165 -12.165 -4.804 83 2HD PRO 12 1HD PRO 12 -7.102 -11.558 -6.085 84 H THR 13 H THR 13 -7.260 -7.950 -2.008 85 HA THR 13 HA THR 13 -9.642 -8.698 -0.500 86 HB THR 13 HB THR 13 -8.166 -9.289 1.431 87 HG1 THR 13 HG1 THR 13 -5.906 -9.992 0.606 88 1HG2 THR 13 3HG2 THR 13 -9.282 -11.036 0.093 89 2HG2 THR 13 1HG2 THR 13 -7.925 -11.034 -1.044 90 3HG2 THR 13 2HG2 THR 13 -7.678 -11.564 0.628 91 H THR 14 H THR 14 -10.313 -7.152 0.869 92 HA THR 14 HA THR 14 -8.622 -4.819 1.400 93 HB THR 14 HB THR 14 -11.509 -4.347 0.875 94 HG1 THR 14 HG1 THR 14 -10.909 -4.328 -1.559 95 1HG2 THR 14 1HG2 THR 14 -8.994 -2.925 -0.061 96 2HG2 THR 14 2HG2 THR 14 -10.656 -2.350 -0.280 97 3HG2 THR 14 3HG2 THR 14 -9.971 -2.478 1.348 98 H LYS 15 H LYS 15 -9.652 -3.406 3.056 99 HA LYS 15 HA LYS 15 -11.312 -4.707 5.015 100 1HB LYS 15 1HB LYS 15 -8.817 -5.482 5.215 101 2HB LYS 15 2HB LYS 15 -8.705 -3.982 6.151 102 1HG LYS 15 1HG LYS 15 -9.533 -5.151 7.885 103 2HG LYS 15 2HG LYS 15 -11.083 -5.135 7.028 104 1HD LYS 15 1HD LYS 15 -10.306 -7.238 5.830 105 2HD LYS 15 2HD LYS 15 -8.957 -7.291 6.978 106 1HE LYS 15 1HE LYS 15 -11.360 -6.898 8.471 107 2HE LYS 15 2HE LYS 15 -11.638 -8.230 7.335 108 1HZ LYS 15 1HZ LYS 15 -9.398 -8.132 9.216 109 2HZ LYS 15 2HZ LYS 15 -10.585 -9.017 9.382 110 3HZ LYS 15 3HZ LYS 15 -9.631 -9.252 8.260 111 H THR 16 H THR 16 -11.914 -3.246 6.689 112 HA THR 16 HA THR 16 -12.003 -0.481 5.843 113 HB THR 16 HB THR 16 -13.372 -2.142 7.992 114 HG1 THR 16 HG1 THR 16 -15.244 -1.434 6.659 115 1HG2 THR 16 3HG2 THR 16 -12.989 0.266 8.845 116 2HG2 THR 16 1HG2 THR 16 -13.762 0.846 7.360 117 3HG2 THR 16 2HG2 THR 16 -14.695 -0.095 8.536 118 H CYS 17 H CYS 17 -11.058 1.184 6.710 119 HA CYS 17 HA CYS 17 -8.871 0.675 8.552 120 1HB CYS 17 1HB CYS 17 -9.527 3.268 7.149 121 2HB CYS 17 2HB CYS 17 -8.010 2.820 7.948 122 H SER 18 H SER 18 -8.514 2.382 10.218 123 HA SER 18 HA SER 18 -10.870 2.554 11.862 124 1HB SER 18 1HB SER 18 -8.347 2.057 12.527 125 2HB SER 18 2HB SER 18 -8.346 3.815 12.744 126 HG SER 18 HG SER 18 -8.881 2.676 14.750 127 H GLY 19 H GLY 19 -10.268 4.885 13.253 128 1HA GLY 19 1HA GLY 19 -11.758 6.838 12.195 129 2HA GLY 19 2HA GLY 19 -10.366 7.192 13.233 130 H GLU 20 H GLU 20 -8.528 6.004 11.266 131 HA GLU 20 HA GLU 20 -8.016 8.351 9.713 132 1HB GLU 20 1HB GLU 20 -6.125 7.303 10.645 133 2HB GLU 20 2HB GLU 20 -6.555 5.738 9.933 134 1HG GLU 20 1HG GLU 20 -6.486 7.318 7.707 135 2HG GLU 20 2HG GLU 20 -5.240 8.089 8.704 136 H THR 21 H THR 21 -8.467 8.657 7.638 137 HA THR 21 HA THR 21 -9.508 6.434 6.019 138 HB THR 21 HB THR 21 -11.226 8.100 6.880 139 HG1 THR 21 HG1 THR 21 -12.093 8.375 4.545 140 1HG2 THR 21 3HG2 THR 21 -9.878 10.159 6.706 141 2HG2 THR 21 1HG2 THR 21 -9.817 9.970 4.945 142 3HG2 THR 21 2HG2 THR 21 -11.364 10.281 5.748 143 H ASN 22 H ASN 22 -7.231 6.251 5.523 144 HA ASN 22 HA ASN 22 -6.653 7.713 3.080 145 1HB ASN 22 1HB ASN 22 -4.853 7.625 5.510 146 2HB ASN 22 2HB ASN 22 -4.203 7.846 3.877 147 1HD2 ASN 22 2HD2 ASN 22 -6.448 10.714 5.728 148 2HD2 ASN 22 1HD2 ASN 22 -6.482 9.142 6.213 149 H CYS 23 H CYS 23 -4.962 6.642 1.856 150 HA CYS 23 HA CYS 23 -4.354 3.879 2.580 151 1HB CYS 23 1HB CYS 23 -5.770 4.679 0.072 152 2HB CYS 23 2HB CYS 23 -4.921 3.140 0.291 153 OH TYR 24 OH TYR 24 1.553 0.616 5.527 154 H TYR 24 H TYR 24 -2.388 3.263 1.843 155 HA TYR 24 HA TYR 24 -0.927 4.946 -0.039 156 1HB TYR 24 1HB TYR 24 0.901 5.160 1.515 157 2HB TYR 24 2HB TYR 24 -0.549 5.464 2.487 158 HD1 TYR 24 HD1 TYR 24 1.646 2.603 1.462 159 HD2 TYR 24 HD2 TYR 24 -0.720 4.401 4.529 160 HE1 TYR 24 HE1 TYR 24 2.334 0.770 3.077 161 HE2 TYR 24 HE2 TYR 24 -0.022 2.563 6.133 162 HH TYR 24 HH TYR 24 1.086 0.785 6.492 163 H LYS 25 H LYS 25 0.896 3.902 -0.965 164 HA LYS 25 HA LYS 25 0.975 0.981 -0.716 165 1HB LYS 25 1HB LYS 25 1.420 1.917 -3.419 166 2HB LYS 25 2HB LYS 25 0.479 0.553 -2.792 167 1HG LYS 25 1HG LYS 25 -1.391 1.972 -2.288 168 2HG LYS 25 2HG LYS 25 -0.444 3.433 -2.614 169 1HD LYS 25 1HD LYS 25 -0.150 2.401 -4.998 170 2HD LYS 25 2HD LYS 25 -1.557 1.418 -4.554 171 1HE LYS 25 1HE LYS 25 -2.436 3.330 -5.666 172 2HE LYS 25 2HE LYS 25 -2.715 3.613 -3.939 173 1HZ LYS 25 3HZ LYS 25 -0.736 5.029 -3.995 174 2HZ LYS 25 1HZ LYS 25 -0.501 4.790 -5.449 175 3HZ LYS 25 2HZ LYS 25 -1.703 5.552 -5.003 176 H LYS 26 H LYS 26 2.988 0.116 -0.844 177 HA LYS 26 HA LYS 26 5.283 1.809 -1.467 178 1HB LYS 26 1HB LYS 26 6.332 0.636 0.637 179 2HB LYS 26 2HB LYS 26 5.513 2.206 0.687 180 1HG LYS 26 1HG LYS 26 3.572 1.307 1.641 181 2HG LYS 26 2HG LYS 26 3.957 -0.339 1.107 182 1HD LYS 26 1HD LYS 26 4.330 -0.237 3.484 183 2HD LYS 26 2HD LYS 26 5.915 -0.306 2.695 184 1HE LYS 26 1HE LYS 26 6.173 2.116 2.946 185 2HE LYS 26 2HE LYS 26 4.557 2.232 3.663 186 1HZ LYS 26 1HZ LYS 26 6.781 0.771 4.881 187 2HZ LYS 26 2HZ LYS 26 6.277 2.085 5.376 188 3HZ LYS 26 3HZ LYS 26 5.421 0.869 5.484 189 CH2 TRP 27 CH2 TRP 27 4.408 3.357 -5.797 190 H TRP 27 H TRP 27 6.728 0.744 -2.641 191 HA TRP 27 HA TRP 27 6.886 -2.171 -2.596 192 1HB TRP 27 1HB TRP 27 6.826 -2.356 -4.985 193 2HB TRP 27 2HB TRP 27 5.304 -1.736 -4.321 194 HD1 TRP 27 HD1 TRP 27 7.938 -0.897 -6.865 195 HE1 TRP 27 HE1 TRP 27 7.432 1.368 -7.939 196 HE3 TRP 27 HE3 TRP 27 4.313 0.639 -3.665 197 HZ2 TRP 27 HZ2 TRP 27 5.713 3.579 -7.524 198 HZ3 TRP 27 HZ3 TRP 27 3.271 2.865 -4.071 199 HH2 TRP 27 HH2 TRP 27 3.917 4.316 -5.923 200 CH2 TRP 28 CH2 TRP 28 9.139 -4.492 1.679 201 H TRP 28 H TRP 28 8.885 -2.894 -3.568 202 HA TRP 28 HA TRP 28 10.962 -1.038 -4.262 203 1HB TRP 28 1HB TRP 28 12.409 -1.303 -2.494 204 2HB TRP 28 2HB TRP 28 10.836 -0.898 -1.786 205 HD1 TRP 28 HD1 TRP 28 13.276 -3.875 -2.089 206 HE1 TRP 28 HE1 TRP 28 12.686 -5.593 -0.291 207 HE3 TRP 28 HE3 TRP 28 9.016 -1.713 -0.370 208 HZ2 TRP 28 HZ2 TRP 28 10.675 -6.033 1.651 209 HZ3 TRP 28 HZ3 TRP 28 7.800 -2.856 1.478 210 HH2 TRP 28 HH2 TRP 28 8.566 -4.942 2.483 211 H SER 29 H SER 29 12.337 -2.065 -5.575 212 HA SER 29 HA SER 29 11.954 -4.882 -6.119 213 1HB SER 29 1HB SER 29 13.491 -4.460 -8.040 214 2HB SER 29 2HB SER 29 12.038 -3.446 -8.060 215 HG SER 29 HG SER 29 13.982 -2.221 -8.636 216 H ASP 30 H ASP 30 13.386 -6.432 -5.765 217 HA ASP 30 HA ASP 30 15.698 -5.792 -4.094 218 1HB ASP 30 1HB ASP 30 15.637 -8.440 -3.959 219 2HB ASP 30 2HB ASP 30 14.612 -7.430 -2.926 220 H HIS 31 H HIS 31 17.253 -7.934 -4.486 221 HA HIS 31 HA HIS 31 18.850 -7.388 -6.632 222 1HB HIS 31 1HB HIS 31 18.720 -9.431 -4.655 223 2HB HIS 31 2HB HIS 31 19.191 -10.099 -6.227 224 HD2 HIS 31 HD2 HIS 31 21.896 -10.369 -5.718 225 HE1 HIS 31 HE1 HIS 31 22.658 -6.301 -4.771 226 NH1 ARG 32 NH2 ARG 32 19.229 -13.873 -9.697 227 NH2 ARG 32 NH1 ARG 32 18.636 -16.108 -9.527 228 H ARG 32 H ARG 32 16.620 -10.141 -6.426 229 HA ARG 32 HA ARG 32 16.025 -9.862 -9.274 230 1HB ARG 32 1HB ARG 32 17.642 -11.648 -9.204 231 2HB ARG 32 2HB ARG 32 16.812 -12.415 -7.838 232 1HG ARG 32 1HG ARG 32 15.293 -13.421 -9.176 233 2HG ARG 32 2HG ARG 32 15.081 -11.972 -10.175 234 1HD ARG 32 1HD ARG 32 16.074 -13.360 -11.727 235 2HD ARG 32 2HD ARG 32 17.527 -12.642 -11.011 236 HE ARG 32 HE ARG 32 16.517 -15.341 -10.504 237 1HH1 ARG 32 1HH2 ARG 32 19.005 -12.984 -9.946 238 2HH1 ARG 32 2HH2 ARG 32 20.083 -14.062 -9.326 239 1HH2 ARG 32 1HH1 ARG 32 18.001 -16.803 -9.652 240 2HH2 ARG 32 2HH1 ARG 32 19.488 -16.304 -9.155 241 H GLY 33 H GLY 33 14.321 -8.815 -7.661 242 1HA GLY 33 1HA GLY 33 11.920 -10.198 -8.050 243 2HA GLY 33 2HA GLY 33 12.416 -10.355 -6.356 244 H THR 34 H THR 34 10.207 -9.162 -6.415 245 HA THR 34 HA THR 34 10.707 -6.403 -5.746 246 HB THR 34 HB THR 34 8.937 -7.251 -8.082 247 HG1 THR 34 HG1 THR 34 10.345 -5.615 -9.142 248 1HG2 THR 34 3HG2 THR 34 7.813 -5.432 -6.631 249 2HG2 THR 34 1HG2 THR 34 9.291 -4.471 -6.805 250 3HG2 THR 34 2HG2 THR 34 8.300 -4.840 -8.227 251 H ILE 35 H ILE 35 9.836 -6.067 -3.923 252 HA ILE 35 HA ILE 35 7.563 -7.678 -3.042 253 HB ILE 35 HB ILE 35 9.546 -6.107 -1.450 254 1HG1 ILE 35 1HG1 ILE 35 10.342 -8.257 -2.427 255 2HG1 ILE 35 2HG1 ILE 35 10.236 -8.299 -0.658 256 1HG2 ILE 35 1HG2 ILE 35 7.141 -7.627 -0.507 257 2HG2 ILE 35 2HG2 ILE 35 8.437 -6.979 0.512 258 3HG2 ILE 35 3HG2 ILE 35 7.410 -5.878 -0.421 259 1HD1 ILE 35 3HD1 ILE 35 8.057 -9.455 -0.818 260 2HD1 ILE 35 1HD1 ILE 35 8.163 -9.413 -2.585 261 3HD1 ILE 35 2HD1 ILE 35 9.325 -10.369 -1.650 262 H ILE 36 H ILE 36 5.671 -6.743 -2.483 263 HA ILE 36 HA ILE 36 5.389 -3.835 -2.690 264 HB ILE 36 HB ILE 36 3.463 -5.897 -3.815 265 1HG1 ILE 36 1HG1 ILE 36 4.390 -4.291 -5.873 266 2HG1 ILE 36 2HG1 ILE 36 5.822 -4.793 -4.959 267 1HG2 ILE 36 3HG2 ILE 36 2.344 -3.850 -2.997 268 2HG2 ILE 36 1HG2 ILE 36 3.453 -2.859 -3.959 269 3HG2 ILE 36 2HG2 ILE 36 2.300 -3.937 -4.766 270 1HD1 ILE 36 3HD1 ILE 36 5.083 -7.146 -5.097 271 2HD1 ILE 36 1HD1 ILE 36 3.651 -6.643 -6.010 272 3HD1 ILE 36 2HD1 ILE 36 5.266 -6.439 -6.711 273 H GLU 37 H GLU 37 3.838 -2.890 -1.453 274 HA GLU 37 HA GLU 37 2.473 -4.469 0.557 275 1HB GLU 37 1HB GLU 37 4.909 -3.757 1.265 276 2HB GLU 37 2HB GLU 37 4.078 -2.243 1.661 277 1HG GLU 37 1HG GLU 37 3.081 -4.951 2.583 278 2HG GLU 37 2HG GLU 37 4.211 -3.969 3.533 279 NH1 ARG 38 NH2 ARG 38 1.663 -1.316 -3.442 280 NH2 ARG 38 NH1 ARG 38 0.780 -2.000 -5.473 281 H ARG 38 H ARG 38 0.776 -3.374 1.511 282 HA ARG 38 HA ARG 38 0.224 -0.620 0.769 283 1HB ARG 38 1HB ARG 38 -1.559 -2.972 0.085 284 2HB ARG 38 2HB ARG 38 -2.147 -1.302 0.159 285 1HG ARG 38 1HG ARG 38 -1.604 -1.337 -2.059 286 2HG ARG 38 2HG ARG 38 0.003 -0.937 -1.427 287 1HD ARG 38 1HD ARG 38 0.766 -3.168 -1.646 288 2HD ARG 38 2HD ARG 38 -0.880 -3.803 -1.818 289 HE ARG 38 HE ARG 38 -0.722 -3.338 -4.063 290 1HH1 ARG 38 1HH2 ARG 38 1.657 -1.356 -2.493 291 2HH1 ARG 38 2HH2 ARG 38 2.292 -0.763 -3.890 292 1HH2 ARG 38 1HH1 ARG 38 0.155 -2.519 -5.967 293 2HH2 ARG 38 2HH1 ARG 38 1.405 -1.448 -5.928 294 H GLY 39 H GLY 39 -1.582 0.259 1.959 295 1HA GLY 39 1HA GLY 39 -2.919 -0.964 4.063 296 2HA GLY 39 2HA GLY 39 -1.430 -0.252 4.707 297 H CYS 40 H CYS 40 -3.420 0.836 5.822 298 HA CYS 40 HA CYS 40 -4.565 3.059 4.365 299 1HB CYS 40 1HB CYS 40 -4.890 2.582 7.287 300 2HB CYS 40 2HB CYS 40 -5.926 3.482 6.165 301 H GLY 41 H GLY 41 -4.399 5.218 5.455 302 1HA GLY 41 1HA GLY 41 -3.258 6.963 6.454 303 2HA GLY 41 2HA GLY 41 -2.060 5.787 7.021 304 H CYS 42 H CYS 42 -0.499 7.381 6.347 305 HA CYS 42 HA CYS 42 0.578 6.843 3.774 306 1HB CYS 42 1HB CYS 42 -0.993 9.287 4.194 307 2HB CYS 42 2HB CYS 42 0.648 9.581 3.591 308 HA PRO 43 HA PRO 43 3.720 7.566 6.809 309 1HB PRO 43 1HB PRO 43 5.537 5.808 5.654 310 2HB PRO 43 2HB PRO 43 4.336 5.373 6.882 311 1HG PRO 43 1HG PRO 43 4.361 4.772 3.999 312 2HG PRO 43 2HG PRO 43 3.430 4.007 5.298 313 1HD PRO 43 2HD PRO 43 2.488 5.894 3.366 314 2HD PRO 43 1HD PRO 43 1.590 5.217 4.734 315 H LYS 44 H LYS 44 6.226 7.887 6.351 316 HA LYS 44 HA LYS 44 6.407 10.125 4.552 317 1HB LYS 44 1HB LYS 44 8.509 10.591 5.516 318 2HB LYS 44 2HB LYS 44 7.314 10.273 6.786 319 1HG LYS 44 1HG LYS 44 8.174 7.934 6.946 320 2HG LYS 44 2HG LYS 44 9.430 8.350 5.767 321 1HD LYS 44 1HD LYS 44 9.248 10.219 8.038 322 2HD LYS 44 2HD LYS 44 9.694 8.566 8.497 323 1HE LYS 44 1HE LYS 44 11.104 9.556 6.110 324 2HE LYS 44 2HE LYS 44 11.444 10.489 7.577 325 1HZ LYS 44 3HZ LYS 44 12.060 8.374 8.610 326 2HZ LYS 44 1HZ LYS 44 11.775 7.588 7.374 327 3HZ LYS 44 2HZ LYS 44 12.908 8.556 7.398 328 H VAL 45 H VAL 45 7.445 10.140 2.650 329 HA VAL 45 HA VAL 45 8.173 7.641 1.419 330 HB VAL 45 HB VAL 45 8.365 8.931 -0.628 331 1HG1 VAL 45 3HG1 VAL 45 6.065 8.418 0.116 332 2HG1 VAL 45 1HG1 VAL 45 6.019 9.939 1.024 333 3HG1 VAL 45 2HG1 VAL 45 6.128 9.967 -0.744 334 1HG2 VAL 45 1HG2 VAL 45 9.605 10.813 0.203 335 2HG2 VAL 45 2HG2 VAL 45 8.176 11.350 -0.696 336 3HG2 VAL 45 3HG2 VAL 45 8.181 11.401 1.075 337 H LYS 46 H LYS 46 10.007 6.767 1.749 338 HA LYS 46 HA LYS 46 12.351 8.378 2.401 339 1HB LYS 46 1HB LYS 46 12.757 6.888 3.899 340 2HB LYS 46 2HB LYS 46 11.378 5.915 3.359 341 1HG LYS 46 1HG LYS 46 12.856 4.948 1.568 342 2HG LYS 46 2HG LYS 46 14.221 5.805 2.304 343 1HD LYS 46 1HD LYS 46 13.090 4.514 4.467 344 2HD LYS 46 2HD LYS 46 12.862 3.341 3.158 345 1HE LYS 46 1HE LYS 46 15.043 2.803 3.172 346 2HE LYS 46 2HE LYS 46 15.519 4.505 3.046 347 1HZ LYS 46 1HZ LYS 46 14.867 3.176 5.571 348 2HZ LYS 46 2HZ LYS 46 16.253 3.534 5.151 349 3HZ LYS 46 3HZ LYS 46 15.268 4.609 5.464 350 HA PRO 47 HA PRO 47 14.039 7.720 -1.551 351 1HB PRO 47 1HB PRO 47 16.741 7.990 -0.955 352 2HB PRO 47 2HB PRO 47 15.610 9.333 -1.200 353 1HG PRO 47 1HG PRO 47 16.800 8.324 1.299 354 2HG PRO 47 2HG PRO 47 16.033 9.887 0.971 355 1HD PRO 47 2HD PRO 47 14.911 7.663 2.374 356 2HD PRO 47 1HD PRO 47 14.105 9.180 1.944 357 H GLY 48 H GLY 48 14.731 6.071 -2.786 358 1HA GLY 48 1HA GLY 48 15.961 4.134 -3.338 359 2HA GLY 48 2HA GLY 48 16.158 3.825 -1.603 360 H VAL 49 H VAL 49 13.164 4.586 -1.495 361 HA VAL 49 HA VAL 49 12.082 1.991 -2.346 362 HB VAL 49 HB VAL 49 11.518 3.433 0.225 363 1HG1 VAL 49 1HG1 VAL 49 10.386 0.843 -0.898 364 2HG1 VAL 49 2HG1 VAL 49 10.097 1.480 0.730 365 3HG1 VAL 49 3HG1 VAL 49 9.489 2.356 -0.685 366 1HG2 VAL 49 3HG2 VAL 49 12.934 0.839 -0.331 367 2HG2 VAL 49 1HG2 VAL 49 13.662 2.349 0.243 368 3HG2 VAL 49 2HG2 VAL 49 12.510 1.476 1.267 369 H ASN 50 H ASN 50 9.984 2.031 -3.110 370 HA ASN 50 HA ASN 50 9.040 4.600 -4.086 371 1HB ASN 50 1HB ASN 50 8.047 1.805 -4.730 372 2HB ASN 50 2HB ASN 50 7.563 3.306 -5.540 373 1HD2 ASN 50 2HD2 ASN 50 10.778 1.241 -6.655 374 2HD2 ASN 50 1HD2 ASN 50 9.654 0.722 -5.571 375 H LEU 51 H LEU 51 7.254 5.522 -3.294 376 HA LEU 51 HA LEU 51 5.295 4.007 -1.762 377 1HB LEU 51 1HB LEU 51 6.707 4.563 -0.046 378 2HB LEU 51 2HB LEU 51 6.909 6.225 -0.627 379 HG LEU 51 HG LEU 51 4.594 6.728 -0.025 380 1HD1 LEU 51 1HD1 LEU 51 4.542 3.890 1.067 381 2HD1 LEU 51 2HD1 LEU 51 3.274 5.107 1.288 382 3HD1 LEU 51 3HD1 LEU 51 3.623 4.476 -0.330 383 1HD2 LEU 51 3HD2 LEU 51 6.207 5.591 2.229 384 2HD2 LEU 51 1HD2 LEU 51 6.312 7.223 1.546 385 3HD2 LEU 51 2HD2 LEU 51 4.836 6.704 2.379 386 H ASN 52 H ASN 52 3.277 4.860 -1.918 387 HA ASN 52 HA ASN 52 2.913 7.377 -3.369 388 1HB ASN 52 1HB ASN 52 2.494 5.060 -4.638 389 2HB ASN 52 2HB ASN 52 0.943 5.170 -3.791 390 1HD2 ASN 52 2HD2 ASN 52 0.553 6.722 -7.057 391 2HD2 ASN 52 1HD2 ASN 52 0.916 5.234 -6.454 392 H CYS 53 H CYS 53 1.034 8.492 -2.795 393 HA CYS 53 HA CYS 53 -0.398 7.549 -0.408 394 1HB CYS 53 1HB CYS 53 0.754 10.218 -0.992 395 2HB CYS 53 2HB CYS 53 -0.697 10.066 0.013 396 H CYS 54 H CYS 54 -2.574 7.740 -0.485 397 HA CYS 54 HA CYS 54 -3.991 9.348 -2.360 398 1HB CYS 54 1HB CYS 54 -5.189 7.372 -3.383 399 2HB CYS 54 2HB CYS 54 -3.533 7.659 -3.945 400 NH1 ARG 55 NH2 ARG 55 -7.039 14.428 2.910 401 NH2 ARG 55 NH1 ARG 55 -5.182 13.798 4.147 402 H ARG 55 H ARG 55 -6.342 8.976 -2.121 403 HA ARG 55 HA ARG 55 -7.037 8.006 0.558 404 1HB ARG 55 1HB ARG 55 -7.935 10.586 -0.734 405 2HB ARG 55 2HB ARG 55 -8.646 9.894 0.734 406 1HG ARG 55 1HG ARG 55 -6.234 9.879 1.660 407 2HG ARG 55 2HG ARG 55 -5.854 10.972 0.317 408 1HD ARG 55 1HD ARG 55 -7.425 12.614 1.108 409 2HD ARG 55 2HD ARG 55 -8.083 11.490 2.309 410 HE ARG 55 HE ARG 55 -5.517 11.630 3.045 411 1HH1 ARG 55 1HH2 ARG 55 -7.717 14.205 2.283 412 2HH1 ARG 55 2HH2 ARG 55 -7.001 15.303 3.278 413 1HH2 ARG 55 1HH1 ARG 55 -4.545 13.139 4.400 414 2HH2 ARG 55 2HH1 ARG 55 -5.136 14.671 4.520 415 H THR 56 H THR 56 -7.305 6.821 -2.113 416 HA THR 56 HA THR 56 -10.218 6.730 -2.455 417 HB THR 56 HB THR 56 -9.268 5.403 -4.616 418 HG1 THR 56 HG1 THR 56 -7.157 6.404 -5.182 419 1HG2 THR 56 3HG2 THR 56 -10.446 7.702 -4.685 420 2HG2 THR 56 1HG2 THR 56 -8.881 8.443 -4.312 421 3HG2 THR 56 2HG2 THR 56 -9.109 7.576 -5.840 422 H ASP 57 H ASP 57 -11.315 4.850 -2.493 423 HA ASP 57 HA ASP 57 -10.532 2.905 -0.608 424 1HB ASP 57 1HB ASP 57 -12.898 3.579 -2.013 425 2HB ASP 57 2HB ASP 57 -12.534 1.890 -2.411 426 NH1 ARG 58 NH2 ARG 58 -9.058 -4.007 -6.855 427 NH2 ARG 58 NH1 ARG 58 -10.580 -2.544 -7.813 428 H ARG 58 H ARG 58 -9.441 1.083 -0.898 429 HA ARG 58 HA ARG 58 -8.135 -0.541 -1.837 430 1HB ARG 58 1HB ARG 58 -10.528 -1.118 -2.671 431 2HB ARG 58 2HB ARG 58 -9.986 -0.445 -4.218 432 1HG ARG 58 1HG ARG 58 -8.165 -2.051 -4.331 433 2HG ARG 58 2HG ARG 58 -8.559 -2.662 -2.714 434 1HD ARG 58 1HD ARG 58 -9.441 -4.176 -4.428 435 2HD ARG 58 2HD ARG 58 -10.774 -3.401 -3.555 436 HE ARG 58 HE ARG 58 -11.167 -2.052 -5.479 437 1HH1 ARG 58 1HH2 ARG 58 -8.673 -4.392 -6.076 438 2HH1 ARG 58 2HH2 ARG 58 -8.755 -4.271 -7.716 439 1HH2 ARG 58 1HH1 ARG 58 -11.268 -1.895 -7.722 440 2HH2 ARG 58 2HH1 ARG 58 -10.282 -2.802 -8.677 441 H CYS 59 H CYS 59 -7.607 2.268 -2.417 442 HA CYS 59 HA CYS 59 -6.744 2.566 -5.109 443 1HB CYS 59 1HB CYS 59 -6.021 4.625 -4.602 444 2HB CYS 59 2HB CYS 59 -7.294 4.391 -3.391 445 H ASN 60 H ASN 60 -5.629 0.868 -2.433 446 HA ASN 60 HA ASN 60 -2.817 0.917 -3.134 447 1HB ASN 60 1HB ASN 60 -3.545 -1.155 -1.242 448 2HB ASN 60 2HB ASN 60 -2.488 0.248 -1.012 449 1HD2 ASN 60 2HD2 ASN 60 -4.655 1.536 1.267 450 2HD2 ASN 60 1HD2 ASN 60 -3.138 1.045 0.859 451 H ASN 61 H ASN 61 -2.956 -0.020 -5.197 452 HA ASN 61 HA ASN 61 -3.202 -2.923 -5.189 453 1HB ASN 61 1HB ASN 61 -4.511 -2.995 -7.181 454 2HB ASN 61 2HB ASN 61 -5.338 -1.871 -6.088 455 1HD2 ASN 61 2HD2 ASN 61 -4.696 -0.714 -9.694 456 2HD2 ASN 61 1HD2 ASN 61 -4.998 -2.224 -9.115 Start of MODEL 15 Raw file had 456 H/Q atoms Start of MODEL 15 1 1H LEU 1 2H LEU 1 -13.986 2.713 5.224 2 2H LEU 1 3H LEU 1 -12.841 3.204 6.044 3 3H LEU 1 1H LEU 1 -13.776 4.178 5.409 4 HA LEU 1 HA LEU 1 -13.087 3.601 3.175 5 1HB LEU 1 1HB LEU 1 -11.814 5.290 4.785 6 2HB LEU 1 2HB LEU 1 -10.537 4.070 4.650 7 HG LEU 1 HG LEU 1 -11.643 4.869 2.063 8 1HD1 LEU 1 1HD1 LEU 1 -10.360 7.010 3.721 9 2HD1 LEU 1 2HD1 LEU 1 -10.669 7.079 1.978 10 3HD1 LEU 1 3HD1 LEU 1 -12.024 6.971 3.114 11 1HD2 LEU 1 3HD2 LEU 1 -8.840 4.894 3.245 12 2HD2 LEU 1 1HD2 LEU 1 -9.570 3.553 2.344 13 3HD2 LEU 1 2HD2 LEU 1 -9.242 5.094 1.532 14 H GLU 2 H GLU 2 -12.947 1.848 2.143 15 HA GLU 2 HA GLU 2 -11.585 -0.463 3.247 16 1HB GLU 2 1HB GLU 2 -13.912 -0.226 1.830 17 2HB GLU 2 2HB GLU 2 -12.760 -0.814 0.619 18 1HG GLU 2 1HG GLU 2 -12.126 -2.669 2.078 19 2HG GLU 2 2HG GLU 2 -13.193 -2.059 3.354 20 H CYS 3 H CYS 3 -9.549 -0.809 2.764 21 HA CYS 3 HA CYS 3 -8.491 -0.016 0.152 22 1HB CYS 3 1HB CYS 3 -7.063 0.183 2.812 23 2HB CYS 3 2HB CYS 3 -6.324 0.461 1.225 24 H HIS 4 H HIS 4 -6.425 -1.229 -0.282 25 HA HIS 4 HA HIS 4 -7.000 -4.022 -0.140 26 1HB HIS 4 1HB HIS 4 -4.800 -2.376 -1.370 27 2HB HIS 4 2HB HIS 4 -4.666 -4.140 -1.266 28 HD2 HIS 4 HD2 HIS 4 -6.000 -1.548 -3.662 29 HE1 HIS 4 HE1 HIS 4 -8.071 -5.132 -4.608 30 H ASN 5 H ASN 5 -5.558 -5.616 0.635 31 HA ASN 5 HA ASN 5 -4.038 -4.782 3.003 32 1HB ASN 5 1HB ASN 5 -4.800 -7.156 3.853 33 2HB ASN 5 2HB ASN 5 -5.872 -5.757 4.048 34 1HD2 ASN 5 2HD2 ASN 5 -8.347 -7.739 2.732 35 2HD2 ASN 5 1HD2 ASN 5 -7.710 -6.998 4.056 36 H GLN 6 H GLN 6 -4.597 -7.205 0.519 37 HA GLN 6 HA GLN 6 -2.663 -9.056 0.913 38 1HB GLN 6 1HB GLN 6 -2.377 -8.932 -1.701 39 2HB GLN 6 2HB GLN 6 -3.908 -9.484 -0.998 40 1HG GLN 6 1HG GLN 6 -5.021 -7.522 -1.537 41 2HG GLN 6 2HG GLN 6 -3.532 -6.559 -1.555 42 1HE2 GLN 6 2HE2 GLN 6 -4.896 -7.136 -4.970 43 2HE2 GLN 6 1HE2 GLN 6 -5.545 -6.609 -3.553 44 H GLN 7 H GLN 7 -0.540 -9.329 0.266 45 HA GLN 7 HA GLN 7 1.014 -6.870 -0.092 46 1HB GLN 7 1HB GLN 7 1.133 -7.499 2.242 47 2HB GLN 7 2HB GLN 7 1.731 -9.104 1.786 48 1HG GLN 7 1HG GLN 7 3.611 -7.875 0.548 49 2HG GLN 7 2HG GLN 7 3.089 -6.426 1.425 50 1HE2 GLN 7 2HE2 GLN 7 5.831 -8.225 3.176 51 2HE2 GLN 7 1HE2 GLN 7 5.607 -7.700 1.634 52 H SER 8 H SER 8 2.911 -7.107 -1.258 53 HA SER 8 HA SER 8 4.367 -7.925 -2.828 54 1HB SER 8 1HB SER 8 3.563 -10.361 -1.345 55 2HB SER 8 2HB SER 8 4.326 -10.570 -2.931 56 HG SER 8 HG SER 8 5.912 -10.614 -1.172 57 H SER 9 H SER 9 2.470 -10.749 -3.256 58 HA SER 9 HA SER 9 1.032 -9.614 -5.530 59 1HB SER 9 1HB SER 9 3.264 -11.371 -5.731 60 2HB SER 9 2HB SER 9 1.815 -12.297 -6.157 61 HG SER 9 HG SER 9 2.811 -11.287 -8.052 62 H GLN 10 H GLN 10 0.242 -10.342 -2.853 63 HA GLN 10 HA GLN 10 -1.106 -12.788 -2.724 64 1HB GLN 10 1HB GLN 10 -0.843 -10.493 -1.067 65 2HB GLN 10 2HB GLN 10 -2.553 -10.940 -1.184 66 1HG GLN 10 1HG GLN 10 -2.051 -12.443 0.434 67 2HG GLN 10 2HG GLN 10 -1.364 -13.394 -0.896 68 1HE2 GLN 10 2HE2 GLN 10 1.672 -13.524 0.604 69 2HE2 GLN 10 1HE2 GLN 10 0.433 -14.256 -0.194 70 HA PRO 11 HA PRO 11 -4.809 -12.113 -4.887 71 1HB PRO 11 1HB PRO 11 -6.831 -12.823 -3.118 72 2HB PRO 11 2HB PRO 11 -5.828 -13.963 -4.030 73 1HG PRO 11 1HG PRO 11 -5.750 -13.283 -1.165 74 2HG PRO 11 2HG PRO 11 -5.077 -14.691 -2.004 75 1HD PRO 11 2HD PRO 11 -3.660 -12.399 -1.045 76 2HD PRO 11 1HD PRO 11 -3.007 -13.752 -1.986 77 HA PRO 12 HA PRO 12 -6.688 -8.258 -4.087 78 1HB PRO 12 1HB PRO 12 -9.215 -8.566 -5.194 79 2HB PRO 12 2HB PRO 12 -7.740 -8.271 -6.133 80 1HG PRO 12 1HG PRO 12 -9.313 -10.746 -5.852 81 2HG PRO 12 2HG PRO 12 -8.121 -10.306 -7.088 82 1HD PRO 12 2HD PRO 12 -7.753 -12.074 -4.869 83 2HD PRO 12 1HD PRO 12 -6.529 -11.542 -6.036 84 H THR 13 H THR 13 -6.763 -8.184 -1.918 85 HA THR 13 HA THR 13 -9.348 -8.798 -0.672 86 HB THR 13 HB THR 13 -7.766 -9.078 1.436 87 HG1 THR 13 HG1 THR 13 -5.692 -10.022 0.666 88 1HG2 THR 13 3HG2 THR 13 -9.115 -10.968 0.304 89 2HG2 THR 13 1HG2 THR 13 -7.774 -11.153 -0.839 90 3HG2 THR 13 2HG2 THR 13 -7.528 -11.502 0.881 91 H THR 14 H THR 14 -10.147 -7.286 0.719 92 HA THR 14 HA THR 14 -8.671 -4.775 1.080 93 HB THR 14 HB THR 14 -11.656 -4.739 0.663 94 HG1 THR 14 HG1 THR 14 -11.229 -4.719 -1.704 95 1HG2 THR 14 3HG2 THR 14 -10.244 -2.598 0.996 96 2HG2 THR 14 1HG2 THR 14 -9.350 -3.040 -0.467 97 3HG2 THR 14 2HG2 THR 14 -11.073 -2.644 -0.569 98 H LYS 15 H LYS 15 -9.878 -3.391 2.716 99 HA LYS 15 HA LYS 15 -11.244 -4.713 4.838 100 1HB LYS 15 1HB LYS 15 -9.612 -4.747 6.510 101 2HB LYS 15 2HB LYS 15 -9.009 -5.651 5.111 102 1HG LYS 15 1HG LYS 15 -7.588 -3.819 4.453 103 2HG LYS 15 2HG LYS 15 -8.313 -2.755 5.670 104 1HD LYS 15 1HD LYS 15 -7.497 -4.631 7.341 105 2HD LYS 15 2HD LYS 15 -6.374 -5.018 6.026 106 1HE LYS 15 1HE LYS 15 -5.047 -3.402 6.867 107 2HE LYS 15 2HE LYS 15 -6.223 -2.247 6.215 108 1HZ LYS 15 1HZ LYS 15 -6.323 -3.312 8.939 109 2HZ LYS 15 2HZ LYS 15 -5.894 -1.923 8.604 110 3HZ LYS 15 3HZ LYS 15 -7.310 -2.340 8.390 111 H THR 16 H THR 16 -12.052 -3.237 6.291 112 HA THR 16 HA THR 16 -11.947 -0.451 5.489 113 HB THR 16 HB THR 16 -13.841 -2.102 7.136 114 HG1 THR 16 HG1 THR 16 -15.260 -1.228 5.403 115 1HG2 THR 16 1HG2 THR 16 -13.911 0.928 6.592 116 2HG2 THR 16 2HG2 THR 16 -15.164 -0.003 7.430 117 3HG2 THR 16 3HG2 THR 16 -13.585 0.243 8.193 118 H CYS 17 H CYS 17 -10.867 1.025 6.583 119 HA CYS 17 HA CYS 17 -9.502 0.302 9.048 120 1HB CYS 17 1HB CYS 17 -9.144 2.617 7.141 121 2HB CYS 17 2HB CYS 17 -8.300 2.487 8.694 122 H SER 18 H SER 18 -9.476 1.842 10.791 123 HA SER 18 HA SER 18 -12.081 3.145 11.129 124 1HB SER 18 1HB SER 18 -10.273 2.068 13.282 125 2HB SER 18 2HB SER 18 -11.875 2.793 13.497 126 HG SER 18 HG SER 18 -11.952 0.429 13.595 127 H GLY 19 H GLY 19 -12.143 5.185 11.986 128 1HA GLY 19 1HA GLY 19 -11.483 7.383 12.116 129 2HA GLY 19 2HA GLY 19 -10.299 6.708 13.248 130 H GLU 20 H GLU 20 -10.348 5.796 9.910 131 HA GLU 20 HA GLU 20 -8.116 7.555 9.256 132 1HB GLU 20 1HB GLU 20 -7.200 5.418 10.120 133 2HB GLU 20 2HB GLU 20 -7.966 4.601 8.747 134 1HG GLU 20 1HG GLU 20 -5.520 5.262 8.440 135 2HG GLU 20 2HG GLU 20 -6.638 5.787 7.170 136 H THR 21 H THR 21 -8.290 8.344 7.276 137 HA THR 21 HA THR 21 -9.969 7.005 5.276 138 HB THR 21 HB THR 21 -11.195 8.858 6.424 139 HG1 THR 21 HG1 THR 21 -11.613 10.028 4.247 140 1HG2 THR 21 3HG2 THR 21 -9.291 10.338 6.943 141 2HG2 THR 21 1HG2 THR 21 -9.048 10.631 5.213 142 3HG2 THR 21 2HG2 THR 21 -10.530 11.190 6.007 143 H ASN 22 H ASN 22 -7.233 6.775 5.517 144 HA ASN 22 HA ASN 22 -6.439 7.801 2.923 145 1HB ASN 22 1HB ASN 22 -4.945 8.322 5.501 146 2HB ASN 22 2HB ASN 22 -4.144 8.351 3.920 147 1HD2 ASN 22 2HD2 ASN 22 -6.890 11.184 4.999 148 2HD2 ASN 22 1HD2 ASN 22 -6.850 9.705 5.720 149 H CYS 23 H CYS 23 -4.841 6.524 1.969 150 HA CYS 23 HA CYS 23 -3.693 4.258 3.360 151 1HB CYS 23 1HB CYS 23 -5.307 3.672 0.927 152 2HB CYS 23 2HB CYS 23 -4.582 2.558 2.098 153 OH TYR 24 OH TYR 24 2.813 2.191 5.585 154 H TYR 24 H TYR 24 -1.915 3.449 2.251 155 HA TYR 24 HA TYR 24 -1.101 4.724 -0.260 156 1HB TYR 24 1HB TYR 24 0.999 5.351 0.696 157 2HB TYR 24 2HB TYR 24 -0.244 5.900 1.833 158 HD1 TYR 24 HD2 TYR 24 -0.753 4.366 3.841 159 HD2 TYR 24 HD1 TYR 24 2.761 4.014 1.443 160 HE1 TYR 24 HE2 TYR 24 0.401 3.092 5.707 161 HE2 TYR 24 HE1 TYR 24 3.906 2.746 3.319 162 HH TYR 24 HH TYR 24 2.135 2.093 6.427 163 H LYS 25 H LYS 25 0.613 3.581 -1.311 164 HA LYS 25 HA LYS 25 1.043 0.816 -0.442 165 1HB LYS 25 1HB LYS 25 1.075 0.335 -3.002 166 2HB LYS 25 2HB LYS 25 -0.489 0.490 -2.186 167 1HG LYS 25 1HG LYS 25 -0.747 2.759 -2.968 168 2HG LYS 25 2HG LYS 25 0.905 2.776 -3.611 169 1HD LYS 25 1HD LYS 25 0.044 0.699 -5.002 170 2HD LYS 25 2HD LYS 25 -1.545 1.412 -4.679 171 1HE LYS 25 1HE LYS 25 -0.777 2.292 -6.782 172 2HE LYS 25 2HE LYS 25 -0.649 3.594 -5.587 173 1HZ LYS 25 1HZ LYS 25 1.612 1.957 -6.467 174 2HZ LYS 25 2HZ LYS 25 1.398 3.374 -6.882 175 3HZ LYS 25 3HZ LYS 25 1.721 3.053 -5.461 176 H LYS 26 H LYS 26 2.980 -0.031 -0.711 177 HA LYS 26 HA LYS 26 5.100 1.690 -1.779 178 1HB LYS 26 1HB LYS 26 6.473 0.681 0.188 179 2HB LYS 26 2HB LYS 26 5.521 2.167 0.343 180 1HG LYS 26 1HG LYS 26 3.970 1.193 1.711 181 2HG LYS 26 2HG LYS 26 4.094 -0.382 0.905 182 1HD LYS 26 1HD LYS 26 5.008 -0.719 3.066 183 2HD LYS 26 2HD LYS 26 6.409 -0.574 1.991 184 1HE LYS 26 1HE LYS 26 6.364 1.940 2.613 185 2HE LYS 26 2HE LYS 26 5.318 1.443 3.954 186 1HZ LYS 26 1HZ LYS 26 8.019 0.404 3.521 187 2HZ LYS 26 2HZ LYS 26 7.664 1.380 4.591 188 3HZ LYS 26 3HZ LYS 26 7.138 -0.014 4.649 189 CH2 TRP 27 CH2 TRP 27 4.219 3.200 -5.943 190 H TRP 27 H TRP 27 6.722 0.604 -2.805 191 HA TRP 27 HA TRP 27 6.902 -2.275 -2.772 192 1HB TRP 27 1HB TRP 27 6.677 -2.507 -5.194 193 2HB TRP 27 2HB TRP 27 5.181 -1.888 -4.474 194 HD1 TRP 27 HD1 TRP 27 7.685 -1.071 -7.149 195 HE1 TRP 27 HE1 TRP 27 7.127 1.183 -8.217 196 HE3 TRP 27 HE3 TRP 27 4.229 0.504 -3.782 197 HZ2 TRP 27 HZ2 TRP 27 5.435 3.402 -7.737 198 HZ3 TRP 27 HZ3 TRP 27 3.171 2.727 -4.158 199 HH2 TRP 27 HH2 TRP 27 3.724 4.159 -6.053 200 CH2 TRP 28 CH2 TRP 28 8.936 -4.065 1.496 201 H TRP 28 H TRP 28 8.806 -3.015 -3.840 202 HA TRP 28 HA TRP 28 10.834 -1.159 -4.662 203 1HB TRP 28 1HB TRP 28 12.387 -1.472 -2.941 204 2HB TRP 28 2HB TRP 28 10.871 -0.881 -2.239 205 HD1 TRP 28 HD1 TRP 28 13.059 -4.056 -2.338 206 HE1 TRP 28 HE1 TRP 28 12.363 -5.583 -0.410 207 HE3 TRP 28 HE3 TRP 28 8.999 -1.449 -0.759 208 HZ2 TRP 28 HZ2 TRP 28 10.350 -5.719 1.575 209 HZ3 TRP 28 HZ3 TRP 28 7.724 -2.350 1.181 210 HH2 TRP 28 HH2 TRP 28 8.341 -4.408 2.335 211 H SER 29 H SER 29 12.187 -2.208 -5.984 212 HA SER 29 HA SER 29 11.776 -5.016 -6.507 213 1HB SER 29 1HB SER 29 13.798 -3.281 -7.912 214 2HB SER 29 2HB SER 29 12.930 -4.700 -8.524 215 HG SER 29 HG SER 29 12.138 -2.690 -9.494 216 H ASP 30 H ASP 30 13.151 -6.604 -6.112 217 HA ASP 30 HA ASP 30 15.465 -6.018 -4.424 218 1HB ASP 30 1HB ASP 30 15.231 -8.732 -4.408 219 2HB ASP 30 2HB ASP 30 14.492 -7.652 -3.215 220 H HIS 31 H HIS 31 16.960 -8.204 -4.773 221 HA HIS 31 HA HIS 31 18.584 -7.738 -6.918 222 1HB HIS 31 1HB HIS 31 18.386 -9.745 -4.905 223 2HB HIS 31 2HB HIS 31 18.868 -10.441 -6.463 224 HD2 HIS 31 HD2 HIS 31 20.157 -7.563 -4.049 225 HE1 HIS 31 HE1 HIS 31 23.407 -9.016 -6.363 226 NH1 ARG 32 NH2 ARG 32 16.762 -14.256 -13.790 227 NH2 ARG 32 NH1 ARG 32 15.005 -15.764 -13.710 228 H ARG 32 H ARG 32 16.329 -10.466 -6.675 229 HA ARG 32 HA ARG 32 15.741 -10.221 -9.529 230 1HB ARG 32 1HB ARG 32 17.337 -12.038 -9.373 231 2HB ARG 32 2HB ARG 32 16.431 -12.774 -8.040 232 1HG ARG 32 1HG ARG 32 14.929 -13.733 -9.436 233 2HG ARG 32 2HG ARG 32 14.821 -12.290 -10.460 234 1HD ARG 32 1HD ARG 32 16.791 -12.903 -11.680 235 2HD ARG 32 2HD ARG 32 17.191 -14.180 -10.519 236 HE ARG 32 HE ARG 32 14.878 -15.083 -11.355 237 1HH1 ARG 32 1HH2 ARG 32 17.317 -13.623 -13.349 238 2HH1 ARG 32 2HH2 ARG 32 16.898 -14.447 -14.710 239 1HH2 ARG 32 1HH1 ARG 32 14.316 -16.202 -13.224 240 2HH2 ARG 32 2HH1 ARG 32 15.134 -15.961 -14.631 241 H GLY 33 H GLY 33 14.066 -9.116 -7.882 242 1HA GLY 33 1HA GLY 33 11.626 -10.417 -8.295 243 2HA GLY 33 2HA GLY 33 12.115 -10.624 -6.604 244 H THR 34 H THR 34 9.996 -9.373 -6.500 245 HA THR 34 HA THR 34 10.595 -6.604 -5.929 246 HB THR 34 HB THR 34 8.448 -7.467 -7.901 247 HG1 THR 34 HG1 THR 34 9.864 -5.947 -9.303 248 1HG2 THR 34 1HG2 THR 34 9.138 -4.681 -6.904 249 2HG2 THR 34 2HG2 THR 34 7.970 -5.068 -8.179 250 3HG2 THR 34 3HG2 THR 34 7.665 -5.582 -6.513 251 H ILE 35 H ILE 35 9.832 -6.097 -4.088 252 HA ILE 35 HA ILE 35 7.788 -7.759 -2.839 253 HB ILE 35 HB ILE 35 9.752 -5.863 -1.622 254 1HG1 ILE 35 1HG1 ILE 35 9.455 -8.860 -1.306 255 2HG1 ILE 35 2HG1 ILE 35 10.536 -8.126 -2.501 256 1HG2 ILE 35 1HG2 ILE 35 7.591 -7.456 -0.292 257 2HG2 ILE 35 2HG2 ILE 35 8.909 -6.595 0.520 258 3HG2 ILE 35 3HG2 ILE 35 7.706 -5.693 -0.416 259 1HD1 ILE 35 3HD1 ILE 35 11.729 -6.939 -0.693 260 2HD1 ILE 35 1HD1 ILE 35 10.648 -7.673 0.503 261 3HD1 ILE 35 2HD1 ILE 35 11.757 -8.690 -0.432 262 H ILE 36 H ILE 36 5.869 -6.934 -2.213 263 HA ILE 36 HA ILE 36 5.299 -4.100 -2.700 264 HB ILE 36 HB ILE 36 3.314 -6.317 -3.247 265 1HG1 ILE 36 1HG1 ILE 36 5.312 -6.697 -4.602 266 2HG1 ILE 36 2HG1 ILE 36 3.836 -6.363 -5.525 267 1HG2 ILE 36 3HG2 ILE 36 2.408 -4.040 -2.934 268 2HG2 ILE 36 1HG2 ILE 36 3.505 -3.431 -4.185 269 3HG2 ILE 36 2HG2 ILE 36 2.221 -4.575 -4.612 270 1HD1 ILE 36 3HD1 ILE 36 4.557 -4.020 -5.830 271 2HD1 ILE 36 1HD1 ILE 36 6.033 -4.354 -4.907 272 3HD1 ILE 36 2HD1 ILE 36 5.765 -5.148 -6.468 273 H GLU 37 H GLU 37 3.766 -3.150 -1.428 274 HA GLU 37 HA GLU 37 2.695 -4.546 0.853 275 1HB GLU 37 1HB GLU 37 5.214 -3.601 1.182 276 2HB GLU 37 2HB GLU 37 4.235 -2.241 1.762 277 1HG GLU 37 1HG GLU 37 3.857 -5.115 2.656 278 2HG GLU 37 2HG GLU 37 4.815 -3.917 3.541 279 NH1 ARG 38 NH2 ARG 38 -2.488 -4.480 -2.280 280 NH2 ARG 38 NH1 ARG 38 -1.929 -4.399 -4.529 281 H ARG 38 H ARG 38 1.046 -3.423 1.822 282 HA ARG 38 HA ARG 38 0.422 -0.710 1.019 283 1HB ARG 38 1HB ARG 38 -1.418 -3.066 0.497 284 2HB ARG 38 2HB ARG 38 -1.930 -1.369 0.446 285 1HG ARG 38 1HG ARG 38 -1.447 -1.703 -1.785 286 2HG ARG 38 2HG ARG 38 0.138 -1.157 -1.210 287 1HD ARG 38 1HD ARG 38 1.098 -3.173 -1.599 288 2HD ARG 38 2HD ARG 38 -0.284 -4.059 -0.933 289 HE ARG 38 HE ARG 38 0.141 -3.371 -3.700 290 1HH1 ARG 38 1HH2 ARG 38 -2.262 -4.304 -1.374 291 2HH1 ARG 38 2HH2 ARG 38 -3.322 -4.884 -2.491 292 1HH2 ARG 38 1HH1 ARG 38 -1.316 -4.170 -5.217 293 2HH2 ARG 38 2HH1 ARG 38 -2.760 -4.802 -4.748 294 H GLY 39 H GLY 39 -1.252 0.226 2.292 295 1HA GLY 39 1HA GLY 39 -2.545 -0.978 4.448 296 2HA GLY 39 2HA GLY 39 -1.029 -0.264 5.025 297 H CYS 40 H CYS 40 -3.102 0.789 6.149 298 HA CYS 40 HA CYS 40 -4.216 3.029 4.708 299 1HB CYS 40 1HB CYS 40 -4.751 1.729 7.271 300 2HB CYS 40 2HB CYS 40 -4.988 3.484 7.216 301 H GLY 41 H GLY 41 -4.057 5.185 5.838 302 1HA GLY 41 1HA GLY 41 -2.904 6.876 6.946 303 2HA GLY 41 2HA GLY 41 -1.623 5.705 7.307 304 H CYS 42 H CYS 42 -0.358 7.650 6.611 305 HA CYS 42 HA CYS 42 0.621 7.271 3.944 306 1HB CYS 42 1HB CYS 42 -1.090 9.580 4.560 307 2HB CYS 42 2HB CYS 42 0.385 9.871 3.621 308 HA PRO 43 HA PRO 43 3.611 8.591 7.126 309 1HB PRO 43 1HB PRO 43 5.424 6.541 6.648 310 2HB PRO 43 2HB PRO 43 4.155 6.512 7.884 311 1HG PRO 43 1HG PRO 43 4.294 5.075 5.318 312 2HG PRO 43 2HG PRO 43 3.283 4.748 6.736 313 1HD PRO 43 2HD PRO 43 2.487 5.980 4.281 314 2HD PRO 43 1HD PRO 43 1.507 5.760 5.741 315 H LYS 44 H LYS 44 6.086 8.858 6.765 316 HA LYS 44 HA LYS 44 6.424 10.198 4.212 317 1HB LYS 44 1HB LYS 44 6.994 11.242 6.505 318 2HB LYS 44 2HB LYS 44 8.411 10.178 6.488 319 1HG LYS 44 1HG LYS 44 8.233 11.459 3.938 320 2HG LYS 44 2HG LYS 44 8.067 12.702 5.190 321 1HD LYS 44 1HD LYS 44 10.257 12.593 5.658 322 2HD LYS 44 2HD LYS 44 10.154 10.844 5.921 323 1HE LYS 44 1HE LYS 44 11.306 10.514 4.026 324 2HE LYS 44 2HE LYS 44 9.992 11.277 3.115 325 1HZ LYS 44 3HZ LYS 44 11.132 13.389 3.510 326 2HZ LYS 44 1HZ LYS 44 12.237 12.748 4.277 327 3HZ LYS 44 2HZ LYS 44 12.087 12.475 2.820 328 H VAL 45 H VAL 45 6.934 9.002 2.624 329 HA VAL 45 HA VAL 45 8.558 6.642 2.896 330 HB VAL 45 HB VAL 45 6.612 6.772 1.318 331 1HG1 VAL 45 3HG1 VAL 45 6.793 9.074 0.652 332 2HG1 VAL 45 1HG1 VAL 45 8.322 8.741 -0.179 333 3HG1 VAL 45 2HG1 VAL 45 6.819 8.008 -0.762 334 1HG2 VAL 45 3HG2 VAL 45 9.312 6.331 -0.009 335 2HG2 VAL 45 1HG2 VAL 45 8.414 5.127 0.930 336 3HG2 VAL 45 2HG2 VAL 45 7.756 5.725 -0.602 337 H LYS 46 H LYS 46 10.614 6.624 2.950 338 HA LYS 46 HA LYS 46 12.200 8.938 2.390 339 1HB LYS 46 1HB LYS 46 12.571 6.454 3.800 340 2HB LYS 46 2HB LYS 46 13.980 6.939 2.842 341 1HG LYS 46 1HG LYS 46 13.442 9.320 3.890 342 2HG LYS 46 2HG LYS 46 12.662 8.336 5.141 343 1HD LYS 46 1HD LYS 46 14.749 8.315 6.046 344 2HD LYS 46 2HD LYS 46 15.013 7.004 4.882 345 1HE LYS 46 1HE LYS 46 16.553 8.214 3.786 346 2HE LYS 46 2HE LYS 46 15.428 9.571 3.610 347 1HZ LYS 46 1HZ LYS 46 17.086 9.123 5.980 348 2HZ LYS 46 2HZ LYS 46 17.350 10.185 4.967 349 3HZ LYS 46 3HZ LYS 46 16.138 10.265 5.832 350 HA PRO 47 HA PRO 47 13.485 7.903 -1.656 351 1HB PRO 47 1HB PRO 47 16.201 8.483 -1.608 352 2HB PRO 47 2HB PRO 47 14.920 9.702 -1.737 353 1HG PRO 47 1HG PRO 47 16.648 9.043 0.555 354 2HG PRO 47 2HG PRO 47 15.686 10.501 0.257 355 1HD PRO 47 2HD PRO 47 15.070 8.344 2.030 356 2HD PRO 47 1HD PRO 47 14.053 9.744 1.643 357 H GLY 48 H GLY 48 14.259 6.318 -2.916 358 1HA GLY 48 1HA GLY 48 15.771 4.499 -3.390 359 2HA GLY 48 2HA GLY 48 15.812 4.183 -1.647 360 H VAL 49 H VAL 49 12.950 4.561 -1.355 361 HA VAL 49 HA VAL 49 11.999 2.040 -2.521 362 HB VAL 49 HB VAL 49 11.135 3.307 0.059 363 1HG1 VAL 49 1HG1 VAL 49 10.405 0.675 -1.195 364 2HG1 VAL 49 2HG1 VAL 49 9.971 1.210 0.436 365 3HG1 VAL 49 3HG1 VAL 49 9.349 2.080 -0.975 366 1HG2 VAL 49 3HG2 VAL 49 12.908 0.900 -0.491 367 2HG2 VAL 49 1HG2 VAL 49 13.450 2.450 0.176 368 3HG2 VAL 49 2HG2 VAL 49 12.342 1.424 1.103 369 H ASN 50 H ASN 50 9.870 1.989 -3.271 370 HA ASN 50 HA ASN 50 8.844 4.542 -4.214 371 1HB ASN 50 1HB ASN 50 8.003 1.723 -4.962 372 2HB ASN 50 2HB ASN 50 7.452 3.220 -5.732 373 1HD2 ASN 50 2HD2 ASN 50 10.324 1.432 -7.452 374 2HD2 ASN 50 1HD2 ASN 50 8.974 0.854 -6.709 375 H LEU 51 H LEU 51 6.846 5.261 -3.644 376 HA LEU 51 HA LEU 51 4.933 3.656 -2.214 377 1HB LEU 51 1HB LEU 51 6.589 4.255 -0.516 378 2HB LEU 51 2HB LEU 51 6.132 5.951 -0.749 379 HG LEU 51 HG LEU 51 4.063 3.891 -0.040 380 1HD1 LEU 51 1HD1 LEU 51 5.871 5.237 1.935 381 2HD1 LEU 51 2HD1 LEU 51 4.402 4.322 2.314 382 3HD1 LEU 51 3HD1 LEU 51 5.783 3.508 1.561 383 1HD2 LEU 51 1HD2 LEU 51 3.315 6.142 -0.734 384 2HD2 LEU 51 2HD2 LEU 51 2.966 5.853 0.978 385 3HD2 LEU 51 3HD2 LEU 51 4.342 6.868 0.514 386 H ASN 52 H ASN 52 2.914 4.604 -2.220 387 HA ASN 52 HA ASN 52 2.603 7.221 -3.486 388 1HB ASN 52 1HB ASN 52 2.274 5.341 -5.158 389 2HB ASN 52 2HB ASN 52 0.884 4.825 -4.186 390 1HD2 ASN 52 2HD2 ASN 52 -0.675 6.778 -6.686 391 2HD2 ASN 52 1HD2 ASN 52 -0.037 5.287 -6.405 392 H CYS 53 H CYS 53 0.998 8.400 -2.590 393 HA CYS 53 HA CYS 53 -0.673 7.160 -0.522 394 1HB CYS 53 1HB CYS 53 0.778 9.761 -0.615 395 2HB CYS 53 2HB CYS 53 -0.805 9.726 0.179 396 H CYS 54 H CYS 54 -2.799 7.526 -0.553 397 HA CYS 54 HA CYS 54 -4.052 9.429 -2.275 398 1HB CYS 54 1HB CYS 54 -5.413 7.530 -3.389 399 2HB CYS 54 2HB CYS 54 -3.816 7.944 -4.037 400 NH1 ARG 55 NH2 ARG 55 -5.829 13.538 3.395 401 NH2 ARG 55 NH1 ARG 55 -7.712 13.127 4.685 402 H ARG 55 H ARG 55 -6.399 9.313 -2.054 403 HA ARG 55 HA ARG 55 -7.184 8.247 0.564 404 1HB ARG 55 1HB ARG 55 -8.139 10.786 -0.800 405 2HB ARG 55 2HB ARG 55 -8.758 10.148 0.733 406 1HG ARG 55 1HG ARG 55 -6.591 10.428 1.785 407 2HG ARG 55 2HG ARG 55 -5.860 10.904 0.242 408 1HD ARG 55 1HD ARG 55 -6.241 13.007 1.054 409 2HD ARG 55 2HD ARG 55 -7.853 12.727 0.375 410 HE ARG 55 HE ARG 55 -8.609 12.200 2.596 411 1HH1 ARG 55 1HH2 ARG 55 -5.386 13.489 2.556 412 2HH1 ARG 55 2HH2 ARG 55 -5.386 13.920 4.144 413 1HH2 ARG 55 1HH1 ARG 55 -8.597 12.792 4.766 414 2HH2 ARG 55 2HH1 ARG 55 -7.277 13.507 5.438 415 H THR 56 H THR 56 -7.400 7.177 -2.222 416 HA THR 56 HA THR 56 -10.316 6.922 -2.451 417 HB THR 56 HB THR 56 -9.408 5.845 -4.754 418 HG1 THR 56 HG1 THR 56 -7.379 6.997 -5.333 419 1HG2 THR 56 3HG2 THR 56 -10.696 8.077 -4.574 420 2HG2 THR 56 1HG2 THR 56 -9.151 8.865 -4.214 421 3HG2 THR 56 2HG2 THR 56 -9.415 8.115 -5.796 422 H ASP 57 H ASP 57 -11.294 4.991 -2.543 423 HA ASP 57 HA ASP 57 -10.328 2.974 -0.858 424 1HB ASP 57 1HB ASP 57 -12.633 3.229 -2.745 425 2HB ASP 57 2HB ASP 57 -12.189 1.615 -2.166 426 NH1 ARG 58 NH2 ARG 58 -11.103 -1.339 -6.235 427 NH2 ARG 58 NH1 ARG 58 -9.425 -2.160 -7.606 428 H ARG 58 H ARG 58 -9.330 1.083 -1.303 429 HA ARG 58 HA ARG 58 -7.877 -0.349 -2.351 430 1HB ARG 58 1HB ARG 58 -10.331 -0.203 -3.966 431 2HB ARG 58 2HB ARG 58 -8.903 -0.802 -4.828 432 1HG ARG 58 1HG ARG 58 -8.531 -2.394 -2.896 433 2HG ARG 58 2HG ARG 58 -10.115 -1.898 -2.275 434 1HD ARG 58 1HD ARG 58 -10.064 -4.024 -3.706 435 2HD ARG 58 2HD ARG 58 -11.250 -2.792 -4.168 436 HE ARG 58 HE ARG 58 -8.838 -3.501 -5.635 437 1HH1 ARG 58 1HH2 ARG 58 -11.541 -1.334 -5.391 438 2HH1 ARG 58 2HH2 ARG 58 -11.414 -0.777 -6.934 439 1HH2 ARG 58 1HH1 ARG 58 -8.678 -2.731 -7.742 440 2HH2 ARG 58 2HH1 ARG 58 -9.730 -1.600 -8.311 441 H CYS 59 H CYS 59 -7.470 2.544 -2.688 442 HA CYS 59 HA CYS 59 -6.499 2.970 -5.364 443 1HB CYS 59 1HB CYS 59 -6.003 5.128 -4.789 444 2HB CYS 59 2HB CYS 59 -7.500 4.754 -3.917 445 H ASN 60 H ASN 60 -5.356 1.837 -2.323 446 HA ASN 60 HA ASN 60 -2.549 2.039 -3.067 447 1HB ASN 60 1HB ASN 60 -2.108 1.148 -0.806 448 2HB ASN 60 2HB ASN 60 -3.132 2.593 -0.739 449 1HD2 ASN 60 2HD2 ASN 60 -4.504 0.147 1.572 450 2HD2 ASN 60 1HD2 ASN 60 -3.110 1.002 1.390 451 H ASN 61 H ASN 61 -2.678 0.528 -4.788 452 HA ASN 61 HA ASN 61 -2.705 -2.267 -3.919 453 1HB ASN 61 1HB ASN 61 -4.763 -1.977 -5.144 454 2HB ASN 61 2HB ASN 61 -3.924 -1.119 -6.448 455 1HD2 ASN 61 2HD2 ASN 61 -4.517 -4.952 -6.744 456 2HD2 ASN 61 1HD2 ASN 61 -5.379 -3.859 -5.868 Start of MODEL 16 Raw file had 456 H/Q atoms Start of MODEL 16 1 1H LEU 1 1H LEU 1 -14.113 3.269 5.755 2 2H LEU 1 2H LEU 1 -14.793 4.273 4.887 3 3H LEU 1 3H LEU 1 -14.940 2.817 4.600 4 HA LEU 1 HA LEU 1 -13.427 3.749 2.970 5 1HB LEU 1 1HB LEU 1 -12.843 5.449 4.838 6 2HB LEU 1 2HB LEU 1 -11.499 4.324 5.104 7 HG LEU 1 HG LEU 1 -11.943 5.145 2.301 8 1HD1 LEU 1 3HD1 LEU 1 -12.504 7.218 3.325 9 2HD1 LEU 1 1HD1 LEU 1 -11.029 7.171 4.306 10 3HD1 LEU 1 2HD1 LEU 1 -10.916 7.316 2.544 11 1HD2 LEU 1 1HD2 LEU 1 -10.033 3.740 2.999 12 2HD2 LEU 1 2HD2 LEU 1 -9.480 5.296 2.354 13 3HD2 LEU 1 3HD2 LEU 1 -9.499 5.018 4.104 14 H GLU 2 H GLU 2 -13.201 1.709 2.257 15 HA GLU 2 HA GLU 2 -11.628 -0.208 3.809 16 1HB GLU 2 1HB GLU 2 -12.840 -1.907 2.886 17 2HB GLU 2 2HB GLU 2 -14.049 -0.627 2.683 18 1HG GLU 2 1HG GLU 2 -13.131 -0.201 0.394 19 2HG GLU 2 2HG GLU 2 -12.056 -1.593 0.607 20 H CYS 3 H CYS 3 -9.715 -0.793 3.221 21 HA CYS 3 HA CYS 3 -8.681 0.077 0.609 22 1HB CYS 3 1HB CYS 3 -7.182 -0.180 3.188 23 2HB CYS 3 2HB CYS 3 -6.479 0.188 1.603 24 H HIS 4 H HIS 4 -6.664 -1.336 0.109 25 HA HIS 4 HA HIS 4 -7.536 -4.018 -0.209 26 1HB HIS 4 1HB HIS 4 -5.201 -2.395 -1.051 27 2HB HIS 4 2HB HIS 4 -4.920 -4.137 -0.887 28 HD2 HIS 4 HD2 HIS 4 -6.245 -1.683 -3.463 29 HE1 HIS 4 HE1 HIS 4 -7.665 -5.501 -4.660 30 H ASN 5 H ASN 5 -6.078 -5.842 0.350 31 HA ASN 5 HA ASN 5 -5.038 -5.574 3.080 32 1HB ASN 5 1HB ASN 5 -7.325 -7.107 2.214 33 2HB ASN 5 2HB ASN 5 -6.047 -8.205 2.761 34 1HD2 ASN 5 2HD2 ASN 5 -8.070 -7.454 5.656 35 2HD2 ASN 5 1HD2 ASN 5 -8.218 -8.228 4.212 36 H GLN 6 H GLN 6 -5.205 -7.539 0.154 37 HA GLN 6 HA GLN 6 -3.337 -9.450 0.478 38 1HB GLN 6 1HB GLN 6 -2.686 -8.777 -2.014 39 2HB GLN 6 2HB GLN 6 -4.157 -9.664 -1.579 40 1HG GLN 6 1HG GLN 6 -5.527 -7.830 -1.912 41 2HG GLN 6 2HG GLN 6 -4.235 -6.668 -1.565 42 1HE2 GLN 6 2HE2 GLN 6 -4.306 -6.024 -4.949 43 2HE2 GLN 6 1HE2 GLN 6 -4.739 -5.532 -3.440 44 H GLN 7 H GLN 7 -1.107 -9.595 0.166 45 HA GLN 7 HA GLN 7 0.412 -7.097 0.414 46 1HB GLN 7 1HB GLN 7 0.227 -8.355 2.554 47 2HB GLN 7 2HB GLN 7 1.159 -9.655 1.793 48 1HG GLN 7 1HG GLN 7 2.314 -6.948 1.487 49 2HG GLN 7 2HG GLN 7 2.262 -7.555 3.152 50 1HE2 GLN 7 2HE2 GLN 7 5.122 -9.326 2.756 51 2HE2 GLN 7 1HE2 GLN 7 4.156 -8.338 3.649 52 H SER 8 H SER 8 2.337 -7.013 -0.668 53 HA SER 8 HA SER 8 3.930 -7.436 -2.257 54 1HB SER 8 1HB SER 8 3.303 -10.134 -1.199 55 2HB SER 8 2HB SER 8 4.177 -10.025 -2.736 56 HG SER 8 HG SER 8 5.650 -10.182 -0.889 57 H SER 9 H SER 9 2.359 -10.332 -3.208 58 HA SER 9 HA SER 9 0.950 -9.011 -5.400 59 1HB SER 9 1HB SER 9 2.765 -11.425 -5.694 60 2HB SER 9 2HB SER 9 1.759 -10.721 -6.973 61 HG SER 9 HG SER 9 4.024 -10.058 -7.162 62 H GLN 10 H GLN 10 -0.049 -10.039 -2.976 63 HA GLN 10 HA GLN 10 -1.149 -12.621 -3.235 64 1HB GLN 10 1HB GLN 10 -1.161 -10.583 -1.274 65 2HB GLN 10 2HB GLN 10 -2.836 -11.062 -1.597 66 1HG GLN 10 1HG GLN 10 -2.476 -12.844 -0.278 67 2HG GLN 10 2HG GLN 10 -1.417 -13.472 -1.552 68 1HE2 GLN 10 2HE2 GLN 10 0.740 -13.679 1.215 69 2HE2 GLN 10 1HE2 GLN 10 -0.466 -14.466 0.418 70 HA PRO 11 HA PRO 11 -4.763 -11.940 -5.547 71 1HB PRO 11 1HB PRO 11 -6.853 -12.917 -3.996 72 2HB PRO 11 2HB PRO 11 -5.730 -13.912 -4.938 73 1HG PRO 11 1HG PRO 11 -5.875 -13.508 -2.024 74 2HG PRO 11 2HG PRO 11 -5.071 -14.794 -2.940 75 1HD PRO 11 2HD PRO 11 -3.851 -12.536 -1.676 76 2HD PRO 11 1HD PRO 11 -3.063 -13.758 -2.691 77 HA PRO 12 HA PRO 12 -6.951 -8.303 -4.531 78 1HB PRO 12 1HB PRO 12 -9.430 -8.688 -5.721 79 2HB PRO 12 2HB PRO 12 -7.959 -8.234 -6.599 80 1HG PRO 12 1HG PRO 12 -9.373 -10.818 -6.533 81 2HG PRO 12 2HG PRO 12 -8.187 -10.215 -7.704 82 1HD PRO 12 2HD PRO 12 -7.750 -12.112 -5.609 83 2HD PRO 12 1HD PRO 12 -6.540 -11.419 -6.703 84 H THR 13 H THR 13 -7.334 -7.972 -2.501 85 HA THR 13 HA THR 13 -9.856 -8.843 -1.339 86 HB THR 13 HB THR 13 -8.557 -9.463 0.763 87 HG1 THR 13 HG1 THR 13 -6.201 -10.075 0.168 88 1HG2 THR 13 1HG2 THR 13 -8.001 -11.161 -1.693 89 2HG2 THR 13 2HG2 THR 13 -7.909 -11.708 -0.010 90 3HG2 THR 13 3HG2 THR 13 -9.467 -11.227 -0.702 91 H THR 14 H THR 14 -10.795 -7.427 -0.108 92 HA THR 14 HA THR 14 -9.330 -5.010 0.684 93 HB THR 14 HB THR 14 -12.183 -4.708 -0.044 94 HG1 THR 14 HG1 THR 14 -11.462 -4.691 -2.443 95 1HG2 THR 14 1HG2 THR 14 -9.689 -3.184 -0.872 96 2HG2 THR 14 2HG2 THR 14 -11.361 -2.686 -1.182 97 3HG2 THR 14 3HG2 THR 14 -10.755 -2.766 0.480 98 H LYS 15 H LYS 15 -10.411 -3.782 2.348 99 HA LYS 15 HA LYS 15 -12.380 -4.856 4.032 100 1HB LYS 15 1HB LYS 15 -10.016 -6.246 4.290 101 2HB LYS 15 2HB LYS 15 -9.857 -5.007 5.547 102 1HG LYS 15 1HG LYS 15 -11.223 -6.192 6.867 103 2HG LYS 15 2HG LYS 15 -12.521 -5.999 5.676 104 1HD LYS 15 1HD LYS 15 -11.731 -8.003 4.483 105 2HD LYS 15 2HD LYS 15 -10.421 -8.193 5.662 106 1HE LYS 15 1HE LYS 15 -12.514 -8.098 7.357 107 2HE LYS 15 2HE LYS 15 -13.333 -8.765 5.935 108 1HZ LYS 15 1HZ LYS 15 -10.960 -9.960 7.160 109 2HZ LYS 15 2HZ LYS 15 -12.336 -10.522 7.287 110 3HZ LYS 15 3HZ LYS 15 -11.650 -10.522 5.964 111 H THR 16 H THR 16 -12.428 -3.710 6.133 112 HA THR 16 HA THR 16 -12.381 -0.925 5.612 113 HB THR 16 HB THR 16 -13.084 -2.551 8.056 114 HG1 THR 16 HG1 THR 16 -15.256 -1.887 7.268 115 1HG2 THR 16 1HG2 THR 16 -13.638 0.403 7.390 116 2HG2 THR 16 2HG2 THR 16 -14.200 -0.457 8.834 117 3HG2 THR 16 3HG2 THR 16 -12.476 -0.105 8.627 118 H CYS 17 H CYS 17 -10.956 0.572 6.248 119 HA CYS 17 HA CYS 17 -8.386 -0.291 7.252 120 1HB CYS 17 1HB CYS 17 -9.297 1.832 5.571 121 2HB CYS 17 2HB CYS 17 -8.493 2.538 6.984 122 H SER 18 H SER 18 -7.382 1.272 8.877 123 HA SER 18 HA SER 18 -8.915 1.089 11.275 124 1HB SER 18 1HB SER 18 -6.297 2.567 10.954 125 2HB SER 18 2HB SER 18 -6.968 1.832 12.419 126 HG SER 18 HG SER 18 -5.189 0.553 11.521 127 H GLY 19 H GLY 19 -8.071 3.400 12.585 128 1HA GLY 19 1HA GLY 19 -10.175 5.169 11.942 129 2HA GLY 19 2HA GLY 19 -8.913 5.451 13.154 130 H GLU 20 H GLU 20 -9.036 5.114 9.625 131 HA GLU 20 HA GLU 20 -7.874 7.753 9.281 132 1HB GLU 20 1HB GLU 20 -6.223 5.536 9.270 133 2HB GLU 20 2HB GLU 20 -6.494 5.907 7.558 134 1HG GLU 20 1HG GLU 20 -6.007 8.266 9.269 135 2HG GLU 20 2HG GLU 20 -4.637 7.149 9.144 136 H THR 21 H THR 21 -8.091 8.530 7.140 137 HA THR 21 HA THR 21 -10.104 7.139 5.521 138 HB THR 21 HB THR 21 -11.040 9.040 6.625 139 HG1 THR 21 HG1 THR 21 -11.566 10.270 4.505 140 1HG2 THR 21 1HG2 THR 21 -8.894 10.692 5.251 141 2HG2 THR 21 2HG2 THR 21 -10.263 11.332 6.175 142 3HG2 THR 21 3HG2 THR 21 -9.007 10.387 6.993 143 H ASN 22 H ASN 22 -7.170 6.993 5.395 144 HA ASN 22 HA ASN 22 -6.868 7.502 2.566 145 1HB ASN 22 1HB ASN 22 -4.873 8.585 4.582 146 2HB ASN 22 2HB ASN 22 -4.728 8.656 2.818 147 1HD2 ASN 22 2HD2 ASN 22 -7.382 11.013 4.854 148 2HD2 ASN 22 1HD2 ASN 22 -6.819 9.604 5.490 149 H CYS 23 H CYS 23 -5.003 6.374 1.722 150 HA CYS 23 HA CYS 23 -3.625 4.484 3.424 151 1HB CYS 23 1HB CYS 23 -5.388 3.646 1.117 152 2HB CYS 23 2HB CYS 23 -4.158 2.606 1.856 153 OH TYR 24 OH TYR 24 2.860 2.157 5.802 154 H TYR 24 H TYR 24 -1.806 3.565 2.400 155 HA TYR 24 HA TYR 24 -0.918 4.861 -0.063 156 1HB TYR 24 1HB TYR 24 1.140 5.528 1.021 157 2HB TYR 24 2HB TYR 24 -0.153 5.990 2.141 158 HD1 TYR 24 HD2 TYR 24 -0.569 4.625 4.179 159 HD2 TYR 24 HD1 TYR 24 2.780 3.910 1.630 160 HE1 TYR 24 HE2 TYR 24 0.551 3.284 6.017 161 HE2 TYR 24 HE1 TYR 24 3.889 2.567 3.477 162 HH TYR 24 HH TYR 24 2.217 2.137 6.677 163 H LYS 25 H LYS 25 0.940 3.804 -1.009 164 HA LYS 25 HA LYS 25 1.090 0.940 -0.377 165 1HB LYS 25 1HB LYS 25 1.751 1.720 -3.105 166 2HB LYS 25 2HB LYS 25 0.843 0.338 -2.466 167 1HG LYS 25 1HG LYS 25 -1.112 1.756 -2.094 168 2HG LYS 25 2HG LYS 25 -0.206 3.182 -2.630 169 1HD LYS 25 1HD LYS 25 0.159 1.586 -4.779 170 2HD LYS 25 2HD LYS 25 -1.409 0.976 -4.223 171 1HE LYS 25 1HE LYS 25 -2.108 2.692 -5.603 172 2HE LYS 25 2HE LYS 25 -1.975 3.565 -4.066 173 1HZ LYS 25 1HZ LYS 25 0.104 3.561 -6.126 174 2HZ LYS 25 2HZ LYS 25 -0.790 4.721 -5.849 175 3HZ LYS 25 3HZ LYS 25 0.216 4.296 -4.834 176 H LYS 26 H LYS 26 3.143 -0.039 -0.748 177 HA LYS 26 HA LYS 26 5.484 1.623 -1.112 178 1HB LYS 26 1HB LYS 26 6.470 0.672 1.032 179 2HB LYS 26 2HB LYS 26 5.394 2.079 1.090 180 1HG LYS 26 1HG LYS 26 3.734 0.934 2.158 181 2HG LYS 26 2HG LYS 26 4.081 -0.578 1.300 182 1HD LYS 26 1HD LYS 26 4.645 -0.939 3.601 183 2HD LYS 26 2HD LYS 26 6.171 -0.779 2.715 184 1HE LYS 26 1HE LYS 26 5.876 1.782 3.367 185 2HE LYS 26 2HE LYS 26 4.894 1.093 4.672 186 1HZ LYS 26 3HZ LYS 26 6.858 -0.217 5.267 187 2HZ LYS 26 1HZ LYS 26 7.684 0.362 4.169 188 3HZ LYS 26 2HZ LYS 26 7.240 1.224 5.302 189 CH2 TRP 27 CH2 TRP 27 4.449 2.809 -5.535 190 H TRP 27 H TRP 27 6.904 0.509 -2.255 191 HA TRP 27 HA TRP 27 7.174 -2.375 -2.013 192 1HB TRP 27 1HB TRP 27 6.947 -2.812 -4.344 193 2HB TRP 27 2HB TRP 27 5.449 -2.157 -3.658 194 HD1 TRP 27 HD1 TRP 27 7.807 -1.606 -6.500 195 HE1 TRP 27 HE1 TRP 27 7.205 0.537 -7.756 196 HE3 TRP 27 HE3 TRP 27 4.559 0.340 -3.120 197 HZ2 TRP 27 HZ2 TRP 27 5.562 2.815 -7.405 198 HZ3 TRP 27 HZ3 TRP 27 3.500 2.529 -3.655 199 HH2 TRP 27 HH2 TRP 27 3.957 3.759 -5.713 200 CH2 TRP 28 CH2 TRP 28 9.908 -4.587 2.065 201 H TRP 28 H TRP 28 9.125 -3.080 -3.148 202 HA TRP 28 HA TRP 28 11.049 -1.145 -4.061 203 1HB TRP 28 1HB TRP 28 12.645 -1.317 -2.415 204 2HB TRP 28 2HB TRP 28 11.119 -0.977 -1.582 205 HD1 TRP 28 HD1 TRP 28 13.651 -3.852 -2.076 206 HE1 TRP 28 HE1 TRP 28 13.304 -5.568 -0.213 207 HE3 TRP 28 HE3 TRP 28 9.479 -1.846 0.006 208 HZ2 TRP 28 HZ2 TRP 28 11.498 -6.064 1.908 209 HZ3 TRP 28 HZ3 TRP 28 8.488 -3.009 1.971 210 HH2 TRP 28 HH2 TRP 28 9.431 -5.050 2.923 211 H SER 29 H SER 29 12.475 -2.136 -5.378 212 HA SER 29 HA SER 29 12.078 -4.923 -6.006 213 1HB SER 29 1HB SER 29 14.115 -3.128 -7.315 214 2HB SER 29 2HB SER 29 13.273 -4.534 -7.991 215 HG SER 29 HG SER 29 12.478 -2.501 -8.905 216 H ASP 30 H ASP 30 13.559 -6.508 -5.833 217 HA ASP 30 HA ASP 30 15.871 -5.970 -4.105 218 1HB ASP 30 1HB ASP 30 15.694 -8.183 -3.259 219 2HB ASP 30 2HB ASP 30 14.066 -7.485 -3.196 220 H HIS 31 H HIS 31 17.092 -8.427 -4.487 221 HA HIS 31 HA HIS 31 18.780 -8.056 -6.613 222 1HB HIS 31 1HB HIS 31 18.229 -10.253 -4.793 223 2HB HIS 31 2HB HIS 31 18.940 -10.709 -6.351 224 HD2 HIS 31 HD2 HIS 31 21.634 -10.790 -6.101 225 HE1 HIS 31 HE1 HIS 31 22.113 -7.604 -3.336 226 NH1 ARG 32 NH2 ARG 32 19.742 -14.853 -11.679 227 NH2 ARG 32 NH1 ARG 32 21.560 -13.504 -11.181 228 H ARG 32 H ARG 32 16.211 -10.498 -6.462 229 HA ARG 32 HA ARG 32 15.581 -10.034 -9.270 230 1HB ARG 32 1HB ARG 32 16.372 -12.675 -8.032 231 2HB ARG 32 2HB ARG 32 15.367 -12.590 -9.489 232 1HG ARG 32 1HG ARG 32 17.094 -11.444 -10.705 233 2HG ARG 32 2HG ARG 32 18.061 -11.225 -9.237 234 1HD ARG 32 1HD ARG 32 17.941 -13.870 -9.153 235 2HD ARG 32 2HD ARG 32 17.630 -13.695 -10.888 236 HE ARG 32 HE ARG 32 19.932 -12.271 -9.820 237 1HH1 ARG 32 1HH2 ARG 32 18.820 -15.054 -11.573 238 2HH1 ARG 32 2HH2 ARG 32 20.286 -15.400 -12.233 239 1HH2 ARG 32 1HH1 ARG 32 21.931 -12.756 -10.729 240 2HH2 ARG 32 2HH1 ARG 32 22.111 -14.046 -11.734 241 H GLY 33 H GLY 33 14.042 -9.026 -7.414 242 1HA GLY 33 1HA GLY 33 11.537 -10.277 -7.805 243 2HA GLY 33 2HA GLY 33 12.097 -10.474 -6.134 244 H THR 34 H THR 34 9.977 -9.192 -6.001 245 HA THR 34 HA THR 34 10.625 -6.456 -5.379 246 HB THR 34 HB THR 34 8.648 -7.218 -7.576 247 HG1 THR 34 HG1 THR 34 10.061 -5.672 -8.756 248 1HG2 THR 34 3HG2 THR 34 7.748 -5.331 -6.056 249 2HG2 THR 34 1HG2 THR 34 9.262 -4.460 -6.353 250 3HG2 THR 34 2HG2 THR 34 8.144 -4.774 -7.691 251 H ILE 35 H ILE 35 9.774 -5.936 -3.580 252 HA ILE 35 HA ILE 35 7.615 -7.558 -2.467 253 HB ILE 35 HB ILE 35 9.660 -5.846 -1.124 254 1HG1 ILE 35 1HG1 ILE 35 9.394 -8.547 -0.186 255 2HG1 ILE 35 2HG1 ILE 35 9.580 -8.569 -1.948 256 1HG2 ILE 35 1HG2 ILE 35 7.298 -7.223 0.100 257 2HG2 ILE 35 2HG2 ILE 35 8.658 -6.501 0.975 258 3HG2 ILE 35 3HG2 ILE 35 7.591 -5.480 -0.003 259 1HD1 ILE 35 1HD1 ILE 35 11.419 -7.144 0.009 260 2HD1 ILE 35 2HD1 ILE 35 11.775 -8.666 -0.825 261 3HD1 ILE 35 3HD1 ILE 35 11.604 -7.167 -1.753 262 H ILE 36 H ILE 36 5.700 -6.673 -1.965 263 HA ILE 36 HA ILE 36 5.309 -3.786 -2.182 264 HB ILE 36 HB ILE 36 3.372 -5.791 -3.367 265 1HG1 ILE 36 1HG1 ILE 36 5.303 -4.080 -4.946 266 2HG1 ILE 36 2HG1 ILE 36 5.664 -5.759 -4.512 267 1HG2 ILE 36 1HG2 ILE 36 3.553 -2.813 -3.628 268 2HG2 ILE 36 2HG2 ILE 36 2.412 -3.872 -4.474 269 3HG2 ILE 36 3HG2 ILE 36 2.357 -3.742 -2.708 270 1HD1 ILE 36 1HD1 ILE 36 3.253 -4.823 -6.109 271 2HD1 ILE 36 2HD1 ILE 36 4.687 -5.621 -6.774 272 3HD1 ILE 36 3HD1 ILE 36 3.615 -6.501 -5.674 273 H GLU 37 H GLU 37 3.740 -2.917 -0.951 274 HA GLU 37 HA GLU 37 2.170 -4.528 0.839 275 1HB GLU 37 1HB GLU 37 4.086 -4.698 2.130 276 2HB GLU 37 2HB GLU 37 4.547 -3.010 1.843 277 1HG GLU 37 1HG GLU 37 3.655 -3.174 4.080 278 2HG GLU 37 2HG GLU 37 2.476 -2.309 3.079 279 NH1 ARG 38 NH2 ARG 38 -2.580 -4.376 -1.714 280 NH2 ARG 38 NH1 ARG 38 -2.235 -4.313 -4.006 281 H ARG 38 H ARG 38 0.569 -3.340 1.856 282 HA ARG 38 HA ARG 38 0.352 -0.495 1.211 283 1HB ARG 38 1HB ARG 38 -1.769 -2.628 0.833 284 2HB ARG 38 2HB ARG 38 -2.127 -0.892 0.871 285 1HG ARG 38 1HG ARG 38 -1.910 -1.427 -1.428 286 2HG ARG 38 2HG ARG 38 -0.378 -0.653 -0.989 287 1HD ARG 38 1HD ARG 38 0.813 -2.532 -1.401 288 2HD ARG 38 2HD ARG 38 -0.373 -3.566 -0.585 289 HE ARG 38 HE ARG 38 -0.282 -2.953 -3.403 290 1HH1 ARG 38 1HH2 ARG 38 -2.307 -4.126 -0.839 291 2HH1 ARG 38 2HH2 ARG 38 -3.358 -4.908 -1.836 292 1HH2 ARG 38 1HH1 ARG 38 -1.725 -4.025 -4.754 293 2HH2 ARG 38 2HH1 ARG 38 -3.011 -4.845 -4.135 294 H GLY 39 H GLY 39 -1.366 0.550 2.511 295 1HA GLY 39 1HA GLY 39 -2.403 -0.540 4.871 296 2HA GLY 39 2HA GLY 39 -0.887 0.305 5.230 297 H CYS 40 H CYS 40 -2.796 1.401 6.493 298 HA CYS 40 HA CYS 40 -4.193 3.438 4.968 299 1HB CYS 40 1HB CYS 40 -4.301 3.236 7.928 300 2HB CYS 40 2HB CYS 40 -5.490 3.874 6.779 301 H GLY 41 H GLY 41 -4.115 5.651 6.155 302 1HA GLY 41 1HA GLY 41 -2.979 7.505 6.900 303 2HA GLY 41 2HA GLY 41 -1.672 6.421 7.407 304 H CYS 42 H CYS 42 -0.364 8.203 6.522 305 HA CYS 42 HA CYS 42 0.525 7.585 3.868 306 1HB CYS 42 1HB CYS 42 -1.213 9.215 3.351 307 2HB CYS 42 2HB CYS 42 -0.516 10.351 4.520 308 HA PRO 43 HA PRO 43 3.895 8.545 6.652 309 1HB PRO 43 1HB PRO 43 5.568 6.587 5.612 310 2HB PRO 43 2HB PRO 43 4.453 6.334 6.966 311 1HG PRO 43 1HG PRO 43 4.259 5.388 4.184 312 2HG PRO 43 2HG PRO 43 3.413 4.808 5.629 313 1HD PRO 43 2HD PRO 43 2.363 6.466 3.549 314 2HD PRO 43 1HD PRO 43 1.555 5.982 5.050 315 H LYS 44 H LYS 44 6.328 8.746 6.012 316 HA LYS 44 HA LYS 44 6.406 10.711 3.908 317 1HB LYS 44 1HB LYS 44 8.549 11.306 4.692 318 2HB LYS 44 2HB LYS 44 7.421 11.178 6.052 319 1HG LYS 44 1HG LYS 44 8.346 8.705 6.175 320 2HG LYS 44 2HG LYS 44 9.725 9.403 5.310 321 1HD LYS 44 1HD LYS 44 9.451 11.265 7.231 322 2HD LYS 44 2HD LYS 44 8.788 9.869 8.099 323 1HE LYS 44 1HE LYS 44 10.802 8.741 8.105 324 2HE LYS 44 2HE LYS 44 11.362 9.513 6.612 325 1HZ LYS 44 3HZ LYS 44 11.714 11.517 7.945 326 2HZ LYS 44 1HZ LYS 44 11.243 10.868 9.203 327 3HZ LYS 44 2HZ LYS 44 12.508 10.414 8.557 328 H VAL 45 H VAL 45 7.256 10.404 1.955 329 HA VAL 45 HA VAL 45 7.936 7.767 1.057 330 HB VAL 45 HB VAL 45 8.007 8.703 -1.141 331 1HG1 VAL 45 3HG1 VAL 45 5.874 8.058 -0.248 332 2HG1 VAL 45 1HG1 VAL 45 5.650 9.667 0.457 333 3HG1 VAL 45 2HG1 VAL 45 5.709 9.471 -1.304 334 1HG2 VAL 45 3HG2 VAL 45 7.600 11.388 0.227 335 2HG2 VAL 45 1HG2 VAL 45 9.066 10.875 -0.624 336 3HG2 VAL 45 2HG2 VAL 45 7.554 11.100 -1.521 337 H LYS 46 H LYS 46 9.897 7.014 1.423 338 HA LYS 46 HA LYS 46 12.195 8.747 1.752 339 1HB LYS 46 1HB LYS 46 11.641 5.917 2.403 340 2HB LYS 46 2HB LYS 46 13.312 6.474 2.210 341 1HG LYS 46 1HG LYS 46 12.449 8.458 3.763 342 2HG LYS 46 2HG LYS 46 11.269 7.233 4.261 343 1HD LYS 46 1HD LYS 46 12.804 6.273 5.579 344 2HD LYS 46 2HD LYS 46 13.858 6.010 4.179 345 1HE LYS 46 1HE LYS 46 15.296 7.466 5.110 346 2HE LYS 46 2HE LYS 46 14.116 8.741 4.759 347 1HZ LYS 46 1HZ LYS 46 14.196 7.236 7.268 348 2HZ LYS 46 2HZ LYS 46 14.646 8.652 7.131 349 3HZ LYS 46 3HZ LYS 46 13.203 8.309 6.973 350 HA PRO 47 HA PRO 47 13.628 8.098 -2.301 351 1HB PRO 47 1HB PRO 47 16.345 8.535 -1.908 352 2HB PRO 47 2HB PRO 47 15.124 9.806 -2.095 353 1HG PRO 47 1HG PRO 47 16.546 8.922 0.329 354 2HG PRO 47 2HG PRO 47 15.668 10.432 0.030 355 1HD PRO 47 2HD PRO 47 14.780 8.178 1.551 356 2HD PRO 47 1HD PRO 47 13.858 9.638 1.153 357 H GLY 48 H GLY 48 14.362 6.480 -3.563 358 1HA GLY 48 1HA GLY 48 15.612 4.591 -4.179 359 2HA GLY 48 2HA GLY 48 16.015 4.358 -2.469 360 H VAL 49 H VAL 49 13.276 4.677 -1.597 361 HA VAL 49 HA VAL 49 12.252 2.032 -2.308 362 HB VAL 49 HB VAL 49 11.630 3.708 0.104 363 1HG1 VAL 49 3HG1 VAL 49 9.775 2.308 -0.496 364 2HG1 VAL 49 1HG1 VAL 49 10.838 0.894 -0.598 365 3HG1 VAL 49 2HG1 VAL 49 10.576 1.696 0.960 366 1HG2 VAL 49 1HG2 VAL 49 13.967 2.902 0.092 367 2HG2 VAL 49 2HG2 VAL 49 13.001 2.039 1.300 368 3HG2 VAL 49 3HG2 VAL 49 13.398 1.258 -0.240 369 H ASN 50 H ASN 50 10.202 1.797 -3.057 370 HA ASN 50 HA ASN 50 8.940 4.095 -4.253 371 1HB ASN 50 1HB ASN 50 7.787 1.313 -4.291 372 2HB ASN 50 2HB ASN 50 7.650 2.596 -5.505 373 1HD2 ASN 50 2HD2 ASN 50 10.050 1.144 -7.416 374 2HD2 ASN 50 1HD2 ASN 50 8.552 1.805 -7.259 375 H LEU 51 H LEU 51 7.139 5.031 -3.495 376 HA LEU 51 HA LEU 51 5.329 3.744 -1.661 377 1HB LEU 51 1HB LEU 51 7.315 4.623 -0.356 378 2HB LEU 51 2HB LEU 51 6.581 6.213 -0.625 379 HG LEU 51 HG LEU 51 4.972 3.972 0.560 380 1HD1 LEU 51 3HD1 LEU 51 6.960 3.965 1.873 381 2HD1 LEU 51 1HD1 LEU 51 6.851 5.718 2.107 382 3HD1 LEU 51 2HD1 LEU 51 5.608 4.655 2.788 383 1HD2 LEU 51 3HD2 LEU 51 4.901 6.996 0.855 384 2HD2 LEU 51 1HD2 LEU 51 3.807 6.031 -0.150 385 3HD2 LEU 51 2HD2 LEU 51 3.776 5.856 1.613 386 H ASN 52 H ASN 52 3.346 4.516 -1.984 387 HA ASN 52 HA ASN 52 2.984 7.086 -3.344 388 1HB ASN 52 1HB ASN 52 2.598 4.818 -4.691 389 2HB ASN 52 2HB ASN 52 1.043 4.865 -3.844 390 1HD2 ASN 52 2HD2 ASN 52 0.781 6.550 -7.107 391 2HD2 ASN 52 1HD2 ASN 52 1.251 5.063 -6.583 392 H CYS 53 H CYS 53 1.187 8.229 -2.678 393 HA CYS 53 HA CYS 53 -0.342 7.175 -0.400 394 1HB CYS 53 1HB CYS 53 0.972 9.802 -0.746 395 2HB CYS 53 2HB CYS 53 -0.546 9.692 0.162 396 H CYS 54 H CYS 54 -2.512 7.545 -0.466 397 HA CYS 54 HA CYS 54 -3.754 9.274 -2.387 398 1HB CYS 54 1HB CYS 54 -5.180 7.352 -3.268 399 2HB CYS 54 2HB CYS 54 -3.532 7.499 -3.903 400 NH1 ARG 55 NH2 ARG 55 -4.002 14.049 0.236 401 NH2 ARG 55 NH1 ARG 55 -3.232 13.756 2.403 402 H ARG 55 H ARG 55 -6.101 9.253 -2.106 403 HA ARG 55 HA ARG 55 -6.872 8.540 0.634 404 1HB ARG 55 1HB ARG 55 -8.038 10.908 -0.790 405 2HB ARG 55 2HB ARG 55 -7.986 10.551 0.945 406 1HG ARG 55 1HG ARG 55 -5.412 10.725 0.687 407 2HG ARG 55 2HG ARG 55 -5.766 11.531 -0.850 408 1HD ARG 55 1HD ARG 55 -6.475 13.431 0.171 409 2HD ARG 55 2HD ARG 55 -7.326 12.542 1.446 410 HE ARG 55 HE ARG 55 -5.362 12.573 2.713 411 1HH1 ARG 55 1HH2 ARG 55 -4.678 13.911 -0.418 412 2HH1 ARG 55 2HH2 ARG 55 -3.212 14.524 0.008 413 1HH2 ARG 55 1HH1 ARG 55 -3.354 13.416 3.282 414 2HH2 ARG 55 2HH1 ARG 55 -2.439 14.231 2.184 415 H THR 56 H THR 56 -7.246 7.255 -2.062 416 HA THR 56 HA THR 56 -10.180 7.198 -2.188 417 HB THR 56 HB THR 56 -9.571 6.018 -4.445 418 HG1 THR 56 HG1 THR 56 -7.366 6.954 -5.180 419 1HG2 THR 56 1HG2 THR 56 -8.980 8.976 -4.093 420 2HG2 THR 56 2HG2 THR 56 -9.352 8.167 -5.624 421 3HG2 THR 56 3HG2 THR 56 -10.582 8.265 -4.354 422 H ASP 57 H ASP 57 -11.283 5.353 -2.087 423 HA ASP 57 HA ASP 57 -10.363 3.354 -0.364 424 1HB ASP 57 1HB ASP 57 -12.793 3.915 -1.867 425 2HB ASP 57 2HB ASP 57 -12.409 2.185 -1.854 426 NH1 ARG 58 NH2 ARG 58 -12.542 -3.928 -5.182 427 NH2 ARG 58 NH1 ARG 58 -12.267 -2.547 -7.024 428 H ARG 58 H ARG 58 -9.506 1.386 -0.755 429 HA ARG 58 HA ARG 58 -8.171 -0.159 -1.802 430 1HB ARG 58 1HB ARG 58 -10.618 -0.688 -2.522 431 2HB ARG 58 2HB ARG 58 -10.134 -0.005 -4.084 432 1HG ARG 58 1HG ARG 58 -8.416 -1.651 -4.367 433 2HG ARG 58 2HG ARG 58 -8.589 -2.211 -2.695 434 1HD ARG 58 1HD ARG 58 -9.694 -3.819 -4.101 435 2HD ARG 58 2HD ARG 58 -10.958 -2.893 -3.272 436 HE ARG 58 HE ARG 58 -10.274 -1.779 -5.815 437 1HH1 ARG 58 1HH2 ARG 58 -12.238 -4.231 -4.335 438 2HH1 ARG 58 2HH2 ARG 58 -13.331 -4.296 -5.562 439 1HH2 ARG 58 1HH1 ARG 58 -11.777 -1.876 -7.485 440 2HH2 ARG 58 2HH1 ARG 58 -13.056 -2.908 -7.410 441 H CYS 59 H CYS 59 -7.581 2.616 -2.303 442 HA CYS 59 HA CYS 59 -6.816 2.882 -5.065 443 1HB CYS 59 1HB CYS 59 -6.024 4.997 -4.583 444 2HB CYS 59 2HB CYS 59 -7.532 4.799 -3.673 445 H ASN 60 H ASN 60 -5.527 1.690 -2.119 446 HA ASN 60 HA ASN 60 -2.776 1.665 -3.067 447 1HB ASN 60 1HB ASN 60 -2.264 0.688 -0.843 448 2HB ASN 60 2HB ASN 60 -3.116 2.236 -0.707 449 1HD2 ASN 60 2HD2 ASN 60 -4.632 0.038 1.716 450 2HD2 ASN 60 1HD2 ASN 60 -3.191 0.787 1.448 451 H ASN 61 H ASN 61 -3.031 0.179 -4.755 452 HA ASN 61 HA ASN 61 -3.253 -2.610 -3.911 453 1HB ASN 61 1HB ASN 61 -4.613 -3.218 -5.739 454 2HB ASN 61 2HB ASN 61 -5.353 -1.728 -5.127 455 1HD2 ASN 61 2HD2 ASN 61 -4.620 -1.953 -8.892 456 2HD2 ASN 61 1HD2 ASN 61 -5.031 -3.141 -7.832 Start of MODEL 17 Raw file had 456 H/Q atoms Start of MODEL 17 1 1H LEU 1 2H LEU 1 -13.525 2.984 5.618 2 2H LEU 1 3H LEU 1 -12.224 3.444 6.186 3 3H LEU 1 1H LEU 1 -13.203 4.440 5.661 4 HA LEU 1 HA LEU 1 -12.963 3.688 3.387 5 1HB LEU 1 1HB LEU 1 -11.311 5.363 4.650 6 2HB LEU 1 2HB LEU 1 -10.160 4.057 4.316 7 HG LEU 1 HG LEU 1 -11.633 4.700 1.929 8 1HD1 LEU 1 1HD1 LEU 1 -10.149 7.006 3.240 9 2HD1 LEU 1 2HD1 LEU 1 -10.761 6.981 1.578 10 3HD1 LEU 1 3HD1 LEU 1 -11.893 6.938 2.939 11 1HD2 LEU 1 1HD2 LEU 1 -9.590 3.477 1.936 12 2HD2 LEU 1 2HD2 LEU 1 -9.420 4.969 0.995 13 3HD2 LEU 1 3HD2 LEU 1 -8.723 4.862 2.620 14 H GLU 2 H GLU 2 -12.861 1.988 2.258 15 HA GLU 2 HA GLU 2 -11.574 -0.395 3.335 16 1HB GLU 2 1HB GLU 2 -14.047 -0.127 2.244 17 2HB GLU 2 2HB GLU 2 -13.113 -0.568 0.804 18 1HG GLU 2 1HG GLU 2 -12.400 -2.619 1.768 19 2HG GLU 2 2HG GLU 2 -12.920 -2.126 3.390 20 H CYS 3 H CYS 3 -9.667 -0.910 2.736 21 HA CYS 3 HA CYS 3 -8.730 -0.248 0.032 22 1HB CYS 3 1HB CYS 3 -7.286 0.167 2.606 23 2HB CYS 3 2HB CYS 3 -6.447 -0.015 1.056 24 H HIS 4 H HIS 4 -6.791 -1.644 -0.479 25 HA HIS 4 HA HIS 4 -7.453 -4.397 -0.013 26 1HB HIS 4 1HB HIS 4 -5.277 -3.055 -1.633 27 2HB HIS 4 2HB HIS 4 -5.462 -4.813 -1.505 28 HD2 HIS 4 HD2 HIS 4 -6.955 -1.821 -3.453 29 HE1 HIS 4 HE1 HIS 4 -9.159 -5.278 -4.560 30 H ASN 5 H ASN 5 -5.988 -5.961 0.735 31 HA ASN 5 HA ASN 5 -4.194 -4.952 2.832 32 1HB ASN 5 1HB ASN 5 -4.712 -7.280 3.881 33 2HB ASN 5 2HB ASN 5 -5.914 -5.988 4.045 34 1HD2 ASN 5 2HD2 ASN 5 -8.403 -7.517 2.291 35 2HD2 ASN 5 1HD2 ASN 5 -7.857 -6.212 3.130 36 H GLN 6 H GLN 6 -4.837 -7.433 0.439 37 HA GLN 6 HA GLN 6 -2.851 -9.227 0.654 38 1HB GLN 6 1HB GLN 6 -2.676 -8.813 -2.017 39 2HB GLN 6 2HB GLN 6 -4.001 -9.709 -1.254 40 1HG GLN 6 1HG GLN 6 -5.502 -7.956 -1.485 41 2HG GLN 6 2HG GLN 6 -4.225 -6.728 -1.518 42 1HE2 GLN 6 2HE2 GLN 6 -5.204 -6.579 -4.870 43 2HE2 GLN 6 1HE2 GLN 6 -5.494 -5.984 -3.365 44 H GLN 7 H GLN 7 -0.745 -9.436 0.029 45 HA GLN 7 HA GLN 7 0.757 -6.934 -0.282 46 1HB GLN 7 1HB GLN 7 1.161 -7.550 1.923 47 2HB GLN 7 2HB GLN 7 1.364 -9.260 1.504 48 1HG GLN 7 1HG GLN 7 3.373 -8.587 0.126 49 2HG GLN 7 2HG GLN 7 3.215 -6.960 0.812 50 1HE2 GLN 7 2HE2 GLN 7 4.818 -7.639 3.721 51 2HE2 GLN 7 1HE2 GLN 7 4.175 -6.561 2.658 52 H SER 8 H SER 8 2.637 -7.068 -1.518 53 HA SER 8 HA SER 8 3.977 -7.701 -3.263 54 1HB SER 8 1HB SER 8 3.403 -10.246 -1.864 55 2HB SER 8 2HB SER 8 4.062 -10.335 -3.508 56 HG SER 8 HG SER 8 5.767 -10.381 -1.865 57 H SER 9 H SER 9 2.191 -10.595 -3.715 58 HA SER 9 HA SER 9 0.535 -9.427 -5.814 59 1HB SER 9 1HB SER 9 1.103 -11.435 -7.250 60 2HB SER 9 2HB SER 9 2.397 -10.237 -7.066 61 HG SER 9 HG SER 9 3.212 -12.453 -6.896 62 H GLN 10 H GLN 10 -0.147 -10.245 -3.213 63 HA GLN 10 HA GLN 10 -1.273 -12.825 -3.109 64 1HB GLN 10 1HB GLN 10 -1.038 -10.627 -1.346 65 2HB GLN 10 2HB GLN 10 -2.739 -11.118 -1.411 66 1HG GLN 10 1HG GLN 10 -2.229 -12.808 -0.031 67 2HG GLN 10 2HG GLN 10 -1.272 -13.517 -1.344 68 1HE2 GLN 10 2HE2 GLN 10 0.908 -13.313 1.529 69 2HE2 GLN 10 1HE2 GLN 10 -0.454 -14.111 1.066 70 HA PRO 11 HA PRO 11 -5.152 -12.306 -4.996 71 1HB PRO 11 1HB PRO 11 -7.027 -13.122 -3.115 72 2HB PRO 11 2HB PRO 11 -6.031 -14.208 -4.099 73 1HG PRO 11 1HG PRO 11 -5.808 -13.548 -1.237 74 2HG PRO 11 2HG PRO 11 -5.127 -14.919 -2.130 75 1HD PRO 11 2HD PRO 11 -3.755 -12.575 -1.235 76 2HD PRO 11 1HD PRO 11 -3.104 -13.889 -2.229 77 HA PRO 12 HA PRO 12 -7.143 -8.547 -4.039 78 1HB PRO 12 1HB PRO 12 -9.716 -8.954 -5.000 79 2HB PRO 12 2HB PRO 12 -8.315 -8.584 -6.020 80 1HG PRO 12 1HG PRO 12 -9.757 -11.129 -5.679 81 2HG PRO 12 2HG PRO 12 -8.660 -10.625 -6.977 82 1HD PRO 12 2HD PRO 12 -8.085 -12.395 -4.806 83 2HD PRO 12 1HD PRO 12 -6.956 -11.797 -6.034 84 H THR 13 H THR 13 -7.343 -8.101 -2.000 85 HA THR 13 HA THR 13 -9.756 -8.927 -0.586 86 HB THR 13 HB THR 13 -8.131 -9.245 1.455 87 HG1 THR 13 HG1 THR 13 -6.028 -10.080 0.639 88 1HG2 THR 13 1HG2 THR 13 -8.075 -11.242 -0.888 89 2HG2 THR 13 2HG2 THR 13 -7.803 -11.637 0.818 90 3HG2 THR 13 3HG2 THR 13 -9.415 -11.148 0.268 91 H THR 14 H THR 14 -10.591 -7.366 0.665 92 HA THR 14 HA THR 14 -9.070 -4.891 1.104 93 HB THR 14 HB THR 14 -12.004 -4.690 0.731 94 HG1 THR 14 HG1 THR 14 -11.573 -4.792 -1.735 95 1HG2 THR 14 1HG2 THR 14 -9.678 -3.154 -0.472 96 2HG2 THR 14 2HG2 THR 14 -11.389 -2.719 -0.607 97 3HG2 THR 14 3HG2 THR 14 -10.589 -2.685 0.974 98 H LYS 15 H LYS 15 -10.103 -3.520 2.767 99 HA LYS 15 HA LYS 15 -11.665 -4.721 4.817 100 1HB LYS 15 1HB LYS 15 -10.094 -5.028 6.518 101 2HB LYS 15 2HB LYS 15 -9.584 -5.959 5.100 102 1HG LYS 15 1HG LYS 15 -7.588 -4.943 5.229 103 2HG LYS 15 2HG LYS 15 -8.391 -3.421 4.810 104 1HD LYS 15 1HD LYS 15 -8.979 -3.537 7.449 105 2HD LYS 15 2HD LYS 15 -7.439 -4.413 7.447 106 1HE LYS 15 1HE LYS 15 -6.844 -2.144 7.780 107 2HE LYS 15 2HE LYS 15 -6.519 -2.449 6.064 108 1HZ LYS 15 1HZ LYS 15 -8.932 -1.124 7.058 109 2HZ LYS 15 2HZ LYS 15 -7.814 -0.413 6.373 110 3HZ LYS 15 3HZ LYS 15 -8.659 -1.380 5.614 111 H THR 16 H THR 16 -12.225 -3.213 6.387 112 HA THR 16 HA THR 16 -11.816 -0.429 5.655 113 HB THR 16 HB THR 16 -13.716 -1.876 7.556 114 HG1 THR 16 HG1 THR 16 -15.261 -1.063 5.902 115 1HG2 THR 16 3HG2 THR 16 -13.193 0.534 8.337 116 2HG2 THR 16 1HG2 THR 16 -13.653 1.087 6.719 117 3HG2 THR 16 2HG2 THR 16 -14.861 0.336 7.773 118 H CYS 17 H CYS 17 -10.635 0.953 6.654 119 HA CYS 17 HA CYS 17 -9.012 0.055 8.890 120 1HB CYS 17 1HB CYS 17 -8.637 1.914 6.686 121 2HB CYS 17 2HB CYS 17 -8.236 2.651 8.248 122 H SER 18 H SER 18 -8.817 1.279 10.768 123 HA SER 18 HA SER 18 -11.268 2.694 11.495 124 1HB SER 18 1HB SER 18 -10.501 2.304 13.844 125 2HB SER 18 2HB SER 18 -10.942 0.857 12.919 126 HG SER 18 HG SER 18 -8.978 0.524 14.199 127 H GLY 19 H GLY 19 -11.148 4.653 12.583 128 1HA GLY 19 1HA GLY 19 -10.447 6.848 12.686 129 2HA GLY 19 2HA GLY 19 -9.134 6.097 13.608 130 H GLU 20 H GLU 20 -9.838 5.673 10.198 131 HA GLU 20 HA GLU 20 -7.714 7.404 9.324 132 1HB GLU 20 1HB GLU 20 -6.562 5.317 10.064 133 2HB GLU 20 2HB GLU 20 -7.400 4.477 8.748 134 1HG GLU 20 1HG GLU 20 -5.048 5.342 8.234 135 2HG GLU 20 2HG GLU 20 -6.321 5.789 7.086 136 H THR 21 H THR 21 -8.085 8.085 7.311 137 HA THR 21 HA THR 21 -10.011 6.666 5.621 138 HB THR 21 HB THR 21 -11.242 8.415 6.718 139 HG1 THR 21 HG1 THR 21 -11.846 9.578 4.702 140 1HG2 THR 21 3HG2 THR 21 -9.260 10.025 7.125 141 2HG2 THR 21 1HG2 THR 21 -9.222 10.314 5.377 142 3HG2 THR 21 2HG2 THR 21 -10.634 10.808 6.327 143 H ASN 22 H ASN 22 -7.194 6.565 5.486 144 HA ASN 22 HA ASN 22 -6.770 7.576 2.793 145 1HB ASN 22 1HB ASN 22 -4.902 8.107 5.127 146 2HB ASN 22 2HB ASN 22 -4.454 8.316 3.425 147 1HD2 ASN 22 2HD2 ASN 22 -7.142 10.804 5.257 148 2HD2 ASN 22 1HD2 ASN 22 -6.871 9.276 5.807 149 H CYS 23 H CYS 23 -4.850 6.564 1.835 150 HA CYS 23 HA CYS 23 -3.812 4.158 3.077 151 1HB CYS 23 1HB CYS 23 -5.504 4.061 0.614 152 2HB CYS 23 2HB CYS 23 -4.372 2.785 1.098 153 OH TYR 24 OH TYR 24 2.089 1.538 5.825 154 H TYR 24 H TYR 24 -1.883 3.534 2.135 155 HA TYR 24 HA TYR 24 -0.826 5.137 -0.071 156 1HB TYR 24 1HB TYR 24 1.231 5.454 1.229 157 2HB TYR 24 2HB TYR 24 -0.132 5.948 2.247 158 HD1 TYR 24 HD1 TYR 24 2.449 3.374 1.702 159 HD2 TYR 24 HD2 TYR 24 -0.708 4.727 4.241 160 HE1 TYR 24 HE1 TYR 24 3.216 1.778 3.520 161 HE2 TYR 24 HE2 TYR 24 0.073 3.127 6.050 162 HH TYR 24 HH TYR 24 1.444 1.635 6.691 163 H LYS 25 H LYS 25 0.932 4.159 -1.171 164 HA LYS 25 HA LYS 25 1.046 1.239 -0.912 165 1HB LYS 25 1HB LYS 25 0.881 3.057 -3.272 166 2HB LYS 25 2HB LYS 25 1.912 1.625 -3.427 167 1HG LYS 25 1HG LYS 25 0.048 0.171 -2.838 168 2HG LYS 25 2HG LYS 25 -0.990 1.575 -2.540 169 1HD LYS 25 1HD LYS 25 -1.491 1.775 -4.722 170 2HD LYS 25 2HD LYS 25 0.216 1.675 -5.190 171 1HE LYS 25 1HE LYS 25 -1.298 -0.799 -4.367 172 2HE LYS 25 2HE LYS 25 -1.422 -0.173 -6.020 173 1HZ LYS 25 1HZ LYS 25 1.103 -0.934 -4.748 174 2HZ LYS 25 2HZ LYS 25 0.425 -1.742 -5.803 175 3HZ LYS 25 3HZ LYS 25 0.999 -0.407 -6.140 176 H LYS 26 H LYS 26 2.958 0.195 -1.110 177 HA LYS 26 HA LYS 26 5.421 1.734 -1.111 178 1HB LYS 26 1HB LYS 26 6.144 0.490 0.980 179 2HB LYS 26 2HB LYS 26 5.123 1.931 1.117 180 1HG LYS 26 1HG LYS 26 3.309 0.745 1.852 181 2HG LYS 26 2HG LYS 26 3.714 -0.681 0.878 182 1HD LYS 26 1HD LYS 26 3.957 -1.162 3.275 183 2HD LYS 26 2HD LYS 26 5.527 -1.240 2.456 184 1HE LYS 26 1HE LYS 26 5.480 1.380 3.197 185 2HE LYS 26 2HE LYS 26 4.550 0.652 4.518 186 1HZ LYS 26 3HZ LYS 26 6.453 -0.827 4.857 187 2HZ LYS 26 1HZ LYS 26 7.237 -0.215 3.745 188 3HZ LYS 26 2HZ LYS 26 6.938 0.578 4.972 189 CH2 TRP 27 CH2 TRP 27 4.552 3.306 -5.551 190 H TRP 27 H TRP 27 6.875 0.673 -2.259 191 HA TRP 27 HA TRP 27 7.017 -2.222 -2.317 192 1HB TRP 27 1HB TRP 27 6.892 -2.432 -4.683 193 2HB TRP 27 2HB TRP 27 5.385 -1.782 -4.013 194 HD1 TRP 27 HD1 TRP 27 7.988 -1.025 -6.613 195 HE1 TRP 27 HE1 TRP 27 7.500 1.228 -7.714 196 HE3 TRP 27 HE3 TRP 27 4.448 0.627 -3.374 197 HZ2 TRP 27 HZ2 TRP 27 5.829 3.477 -7.306 198 HZ3 TRP 27 HZ3 TRP 27 3.439 2.863 -3.797 199 HH2 TRP 27 HH2 TRP 27 4.076 4.272 -5.684 200 CH2 TRP 28 CH2 TRP 28 9.555 -4.746 1.806 201 H TRP 28 H TRP 28 9.012 -2.897 -3.344 202 HA TRP 28 HA TRP 28 11.036 -0.987 -4.055 203 1HB TRP 28 1HB TRP 28 12.505 -1.201 -2.321 204 2HB TRP 28 2HB TRP 28 10.931 -0.922 -1.556 205 HD1 TRP 28 HD1 TRP 28 13.549 -3.719 -2.026 206 HE1 TRP 28 HE1 TRP 28 13.119 -5.536 -0.282 207 HE3 TRP 28 HE3 TRP 28 9.198 -1.912 -0.136 208 HZ2 TRP 28 HZ2 TRP 28 11.187 -6.180 1.686 209 HZ3 TRP 28 HZ3 TRP 28 8.106 -3.196 1.696 210 HH2 TRP 28 HH2 TRP 28 9.032 -5.262 2.606 211 H SER 29 H SER 29 12.639 -1.993 -5.195 212 HA SER 29 HA SER 29 12.147 -4.678 -6.093 213 1HB SER 29 1HB SER 29 14.027 -4.275 -7.638 214 2HB SER 29 2HB SER 29 12.809 -2.991 -7.735 215 HG SER 29 HG SER 29 15.014 -2.126 -7.771 216 H ASP 30 H ASP 30 13.276 -6.436 -5.649 217 HA ASP 30 HA ASP 30 15.249 -6.286 -3.495 218 1HB ASP 30 1HB ASP 30 14.789 -8.577 -3.052 219 2HB ASP 30 2HB ASP 30 13.223 -7.775 -3.259 220 H HIS 31 H HIS 31 16.410 -8.769 -3.961 221 HA HIS 31 HA HIS 31 18.580 -8.239 -5.548 222 1HB HIS 31 1HB HIS 31 17.577 -10.516 -4.144 223 2HB HIS 31 2HB HIS 31 18.366 -10.972 -5.663 224 HD2 HIS 31 HD2 HIS 31 19.627 -11.238 -2.434 225 HE1 HIS 31 HE1 HIS 31 22.625 -8.763 -4.140 226 NH1 ARG 32 NH2 ARG 32 20.167 -14.316 -7.120 227 NH2 ARG 32 NH1 ARG 32 21.789 -12.664 -7.016 228 H ARG 32 H ARG 32 15.946 -10.459 -6.396 229 HA ARG 32 HA ARG 32 16.056 -9.554 -9.170 230 1HB ARG 32 1HB ARG 32 16.278 -12.423 -8.257 231 2HB ARG 32 2HB ARG 32 15.846 -11.944 -9.908 232 1HG ARG 32 1HG ARG 32 17.966 -11.302 -10.415 233 2HG ARG 32 2HG ARG 32 18.257 -10.630 -8.802 234 1HD ARG 32 1HD ARG 32 18.092 -13.316 -8.259 235 2HD ARG 32 2HD ARG 32 18.845 -13.321 -9.863 236 HE ARG 32 HE ARG 32 20.324 -11.500 -8.606 237 1HH1 ARG 32 1HH2 ARG 32 19.341 -14.631 -7.471 238 2HH1 ARG 32 2HH2 ARG 32 20.657 -14.851 -6.507 239 1HH2 ARG 32 1HH1 ARG 32 22.118 -11.815 -7.284 240 2HH2 ARG 32 2HH1 ARG 32 22.284 -13.193 -6.402 241 H GLY 33 H GLY 33 14.138 -8.693 -7.579 242 1HA GLY 33 1HA GLY 33 11.750 -9.635 -8.747 243 2HA GLY 33 2HA GLY 33 11.878 -10.175 -7.064 244 H THR 34 H THR 34 9.844 -8.744 -7.207 245 HA THR 34 HA THR 34 10.532 -6.102 -6.166 246 HB THR 34 HB THR 34 8.636 -6.753 -8.457 247 HG1 THR 34 HG1 THR 34 9.936 -4.962 -9.401 248 1HG2 THR 34 1HG2 THR 34 8.946 -4.103 -6.919 249 2HG2 THR 34 2HG2 THR 34 7.908 -4.366 -8.330 250 3HG2 THR 34 3HG2 THR 34 7.512 -5.135 -6.785 251 H ILE 35 H ILE 35 9.735 -5.782 -4.302 252 HA ILE 35 HA ILE 35 7.619 -7.503 -3.285 253 HB ILE 35 HB ILE 35 9.556 -5.743 -1.845 254 1HG1 ILE 35 1HG1 ILE 35 9.281 -8.690 -1.455 255 2HG1 ILE 35 2HG1 ILE 35 10.065 -8.137 -2.945 256 1HG2 ILE 35 3HG2 ILE 35 7.470 -5.630 -0.702 257 2HG2 ILE 35 1HG2 ILE 35 7.322 -7.395 -0.725 258 3HG2 ILE 35 2HG2 ILE 35 8.622 -6.628 0.200 259 1HD1 ILE 35 3HD1 ILE 35 11.659 -6.803 -1.612 260 2HD1 ILE 35 1HD1 ILE 35 10.876 -7.357 -0.122 261 3HD1 ILE 35 2HD1 ILE 35 11.724 -8.515 -1.159 262 H ILE 36 H ILE 36 5.644 -6.751 -2.876 263 HA ILE 36 HA ILE 36 5.122 -3.869 -3.044 264 HB ILE 36 HB ILE 36 3.171 -6.003 -3.933 265 1HG1 ILE 36 1HG1 ILE 36 5.239 -6.275 -5.196 266 2HG1 ILE 36 2HG1 ILE 36 3.835 -5.810 -6.173 267 1HG2 ILE 36 1HG2 ILE 36 3.426 -3.040 -4.563 268 2HG2 ILE 36 2HG2 ILE 36 2.170 -4.127 -5.183 269 3HG2 ILE 36 3HG2 ILE 36 2.251 -3.763 -3.450 270 1HD1 ILE 36 1HD1 ILE 36 6.015 -3.930 -5.196 271 2HD1 ILE 36 2HD1 ILE 36 5.844 -4.544 -6.848 272 3HD1 ILE 36 3HD1 ILE 36 4.612 -3.465 -6.173 273 H GLU 37 H GLU 37 3.620 -3.007 -1.727 274 HA GLU 37 HA GLU 37 2.241 -4.560 0.245 275 1HB GLU 37 1HB GLU 37 4.386 -4.662 1.266 276 2HB GLU 37 2HB GLU 37 4.606 -2.911 1.098 277 1HG GLU 37 1HG GLU 37 3.930 -3.452 3.383 278 2HG GLU 37 2HG GLU 37 2.644 -2.544 2.570 279 NH1 ARG 38 NH2 ARG 38 -2.828 -4.523 -1.026 280 NH2 ARG 38 NH1 ARG 38 -2.862 -5.007 -3.292 281 H ARG 38 H ARG 38 0.874 -3.253 1.552 282 HA ARG 38 HA ARG 38 0.512 -0.483 0.677 283 1HB ARG 38 1HB ARG 38 -1.634 -2.606 0.974 284 2HB ARG 38 2HB ARG 38 -1.972 -0.872 0.847 285 1HG ARG 38 1HG ARG 38 -2.204 -1.805 -1.353 286 2HG ARG 38 2HG ARG 38 -0.696 -0.876 -1.331 287 1HD ARG 38 1HD ARG 38 0.555 -2.710 -1.744 288 2HD ARG 38 2HD ARG 38 -0.309 -3.667 -0.528 289 HE ARG 38 HE ARG 38 -0.810 -3.659 -3.336 290 1HH1 ARG 38 1HH2 ARG 38 -2.410 -4.096 -0.287 291 2HH1 ARG 38 2HH2 ARG 38 -3.625 -5.024 -0.896 292 1HH2 ARG 38 1HH1 ARG 38 -2.475 -4.929 -4.156 293 2HH2 ARG 38 2HH1 ARG 38 -3.659 -5.510 -3.170 294 H GLY 39 H GLY 39 -1.219 0.532 2.182 295 1HA GLY 39 1HA GLY 39 -1.463 -0.331 4.848 296 2HA GLY 39 2HA GLY 39 -0.144 0.843 4.703 297 H CYS 40 H CYS 40 -2.088 1.609 6.272 298 HA CYS 40 HA CYS 40 -3.930 3.308 4.751 299 1HB CYS 40 1HB CYS 40 -4.036 2.334 7.572 300 2HB CYS 40 2HB CYS 40 -5.057 3.639 6.945 301 H GLY 41 H GLY 41 -3.971 5.505 5.192 302 1HA GLY 41 1HA GLY 41 -3.339 7.523 6.227 303 2HA GLY 41 2HA GLY 41 -1.973 6.663 6.959 304 H CYS 42 H CYS 42 -0.567 8.287 6.228 305 HA CYS 42 HA CYS 42 0.436 7.869 3.558 306 1HB CYS 42 1HB CYS 42 -1.194 9.703 3.269 307 2HB CYS 42 2HB CYS 42 -0.337 10.636 4.507 308 HA PRO 43 HA PRO 43 3.720 8.169 6.545 309 1HB PRO 43 1HB PRO 43 5.338 6.303 5.269 310 2HB PRO 43 2HB PRO 43 4.155 5.931 6.535 311 1HG PRO 43 1HG PRO 43 4.015 5.419 3.639 312 2HG PRO 43 2HG PRO 43 3.077 4.691 4.955 313 1HD PRO 43 2HD PRO 43 2.217 6.705 3.115 314 2HD PRO 43 1HD PRO 43 1.321 6.063 4.504 315 H LYS 44 H LYS 44 6.195 8.381 6.051 316 HA LYS 44 HA LYS 44 6.477 10.577 4.203 317 1HB LYS 44 1HB LYS 44 7.370 10.891 6.362 318 2HB LYS 44 2HB LYS 44 8.389 9.450 6.205 319 1HG LYS 44 1HG LYS 44 9.989 10.760 5.333 320 2HG LYS 44 2HG LYS 44 8.940 11.011 3.926 321 1HD LYS 44 1HD LYS 44 8.449 13.128 4.532 322 2HD LYS 44 2HD LYS 44 8.206 12.677 6.229 323 1HE LYS 44 1HE LYS 44 10.156 13.683 6.704 324 2HE LYS 44 2HE LYS 44 10.974 12.419 5.770 325 1HZ LYS 44 3HZ LYS 44 10.712 13.873 3.837 326 2HZ LYS 44 1HZ LYS 44 10.023 14.937 4.623 327 3HZ LYS 44 2HZ LYS 44 11.459 14.630 4.883 328 H VAL 45 H VAL 45 7.562 10.500 2.328 329 HA VAL 45 HA VAL 45 8.199 7.938 1.177 330 HB VAL 45 HB VAL 45 8.447 9.135 -0.899 331 1HG1 VAL 45 1HG1 VAL 45 6.138 10.272 0.657 332 2HG1 VAL 45 2HG1 VAL 45 6.305 10.261 -1.107 333 3HG1 VAL 45 3HG1 VAL 45 6.177 8.733 -0.220 334 1HG2 VAL 45 3HG2 VAL 45 8.329 11.683 0.755 335 2HG2 VAL 45 1HG2 VAL 45 9.768 11.046 -0.060 336 3HG2 VAL 45 2HG2 VAL 45 8.381 11.600 -1.014 337 H LYS 46 H LYS 46 9.985 6.992 1.567 338 HA LYS 46 HA LYS 46 12.392 8.525 2.190 339 1HB LYS 46 1HB LYS 46 12.711 7.113 3.783 340 2HB LYS 46 2HB LYS 46 11.280 6.190 3.295 341 1HG LYS 46 1HG LYS 46 12.675 4.980 1.625 342 2HG LYS 46 2HG LYS 46 14.098 5.853 2.218 343 1HD LYS 46 1HD LYS 46 12.879 4.789 4.516 344 2HD LYS 46 2HD LYS 46 12.792 3.497 3.307 345 1HE LYS 46 1HE LYS 46 15.389 4.777 3.224 346 2HE LYS 46 2HE LYS 46 15.024 4.230 4.870 347 1HZ LYS 46 1HZ LYS 46 14.913 2.498 2.513 348 2HZ LYS 46 2HZ LYS 46 15.996 2.443 3.537 349 3HZ LYS 46 3HZ LYS 46 14.607 2.038 3.898 350 HA PRO 47 HA PRO 47 14.126 7.520 -1.667 351 1HB PRO 47 1HB PRO 47 16.827 7.629 -1.022 352 2HB PRO 47 2HB PRO 47 15.801 9.034 -1.366 353 1HG PRO 47 1HG PRO 47 16.865 8.083 1.211 354 2HG PRO 47 2HG PRO 47 16.218 9.676 0.782 355 1HD PRO 47 2HD PRO 47 14.912 7.616 2.275 356 2HD PRO 47 1HD PRO 47 14.225 9.162 1.746 357 H GLY 48 H GLY 48 14.946 5.817 -2.824 358 1HA GLY 48 1HA GLY 48 15.885 3.744 -3.274 359 2HA GLY 48 2HA GLY 48 16.191 3.559 -1.538 360 H VAL 49 H VAL 49 13.192 4.513 -1.456 361 HA VAL 49 HA VAL 49 11.966 1.898 -1.979 362 HB VAL 49 HB VAL 49 11.604 3.549 0.504 363 1HG1 VAL 49 1HG1 VAL 49 10.357 0.910 -0.347 364 2HG1 VAL 49 2HG1 VAL 49 10.172 1.677 1.239 365 3HG1 VAL 49 3HG1 VAL 49 9.505 2.456 -0.205 366 1HG2 VAL 49 1HG2 VAL 49 13.722 2.416 0.490 367 2HG2 VAL 49 2HG2 VAL 49 12.611 1.655 1.641 368 3HG2 VAL 49 3HG2 VAL 49 12.931 0.885 0.079 369 H ASN 50 H ASN 50 9.984 1.995 -2.873 370 HA ASN 50 HA ASN 50 9.055 4.529 -3.893 371 1HB ASN 50 1HB ASN 50 7.841 1.777 -4.287 372 2HB ASN 50 2HB ASN 50 7.505 3.239 -5.231 373 1HD2 ASN 50 2HD2 ASN 50 10.384 0.741 -6.265 374 2HD2 ASN 50 1HD2 ASN 50 9.172 0.430 -5.196 375 H LEU 51 H LEU 51 7.414 5.616 -3.023 376 HA LEU 51 HA LEU 51 5.488 4.293 -1.264 377 1HB LEU 51 1HB LEU 51 7.321 5.259 0.056 378 2HB LEU 51 2HB LEU 51 6.783 6.856 -0.493 379 HG LEU 51 HG LEU 51 6.004 6.039 1.810 380 1HD1 LEU 51 3HD1 LEU 51 5.027 7.994 0.659 381 2HD1 LEU 51 1HD1 LEU 51 3.935 6.923 -0.234 382 3HD1 LEU 51 2HD1 LEU 51 3.784 7.075 1.524 383 1HD2 LEU 51 3HD2 LEU 51 4.214 4.315 0.138 384 2HD2 LEU 51 1HD2 LEU 51 5.476 3.783 1.262 385 3HD2 LEU 51 2HD2 LEU 51 4.043 4.627 1.873 386 H ASN 52 H ASN 52 3.469 4.938 -1.642 387 HA ASN 52 HA ASN 52 2.975 7.375 -3.188 388 1HB ASN 52 1HB ASN 52 2.772 5.005 -4.402 389 2HB ASN 52 2HB ASN 52 1.191 5.012 -3.602 390 1HD2 ASN 52 2HD2 ASN 52 1.346 6.637 -7.038 391 2HD2 ASN 52 1HD2 ASN 52 2.095 5.298 -6.444 392 H CYS 53 H CYS 53 1.001 8.365 -2.710 393 HA CYS 53 HA CYS 53 -0.481 7.362 -0.380 394 1HB CYS 53 1HB CYS 53 0.489 10.131 -0.901 395 2HB CYS 53 2HB CYS 53 -0.883 9.784 0.167 396 H CYS 54 H CYS 54 -2.669 7.560 -0.525 397 HA CYS 54 HA CYS 54 -3.975 9.067 -2.587 398 1HB CYS 54 1HB CYS 54 -5.217 7.038 -3.423 399 2HB CYS 54 2HB CYS 54 -3.528 7.176 -3.940 400 NH1 ARG 55 NH2 ARG 55 -7.257 13.637 -1.404 401 NH2 ARG 55 NH1 ARG 55 -5.395 14.908 -0.865 402 H ARG 55 H ARG 55 -6.330 8.868 -2.370 403 HA ARG 55 HA ARG 55 -7.157 8.205 0.364 404 1HB ARG 55 1HB ARG 55 -7.961 10.674 -1.186 405 2HB ARG 55 2HB ARG 55 -8.582 10.191 0.402 406 1HG ARG 55 1HG ARG 55 -6.142 10.211 1.186 407 2HG ARG 55 2HG ARG 55 -5.778 11.058 -0.327 408 1HD ARG 55 1HD ARG 55 -8.001 12.402 0.752 409 2HD ARG 55 2HD ARG 55 -6.927 12.097 2.129 410 HE ARG 55 HE ARG 55 -5.370 13.524 1.163 411 1HH1 ARG 55 1HH2 ARG 55 -7.867 12.944 -1.179 412 2HH1 ARG 55 2HH2 ARG 55 -7.359 14.114 -2.220 413 1HH2 ARG 55 1HH1 ARG 55 -4.687 15.121 -0.268 414 2HH2 ARG 55 2HH1 ARG 55 -5.489 15.388 -1.679 415 H THR 56 H THR 56 -7.424 6.965 -2.379 416 HA THR 56 HA THR 56 -10.351 6.857 -2.592 417 HB THR 56 HB THR 56 -9.653 5.730 -4.849 418 HG1 THR 56 HG1 THR 56 -7.447 6.726 -5.502 419 1HG2 THR 56 3HG2 THR 56 -10.714 7.954 -4.748 420 2HG2 THR 56 1HG2 THR 56 -9.136 8.693 -4.428 421 3HG2 THR 56 2HG2 THR 56 -9.445 7.905 -5.984 422 H ASP 57 H ASP 57 -11.414 4.963 -2.648 423 HA ASP 57 HA ASP 57 -10.528 2.966 -0.899 424 1HB ASP 57 1HB ASP 57 -12.868 3.368 -2.667 425 2HB ASP 57 2HB ASP 57 -12.468 1.685 -2.283 426 NH1 ARG 58 NH2 ARG 58 -12.916 -5.089 -3.924 427 NH2 ARG 58 NH1 ARG 58 -14.601 -3.498 -3.931 428 H ARG 58 H ARG 58 -9.648 0.989 -1.314 429 HA ARG 58 HA ARG 58 -8.304 -0.559 -2.341 430 1HB ARG 58 1HB ARG 58 -10.642 -0.181 -4.150 431 2HB ARG 58 2HB ARG 58 -9.259 -1.121 -4.739 432 1HG ARG 58 1HG ARG 58 -9.412 -2.450 -2.567 433 2HG ARG 58 2HG ARG 58 -10.972 -1.653 -2.299 434 1HD ARG 58 1HD ARG 58 -10.571 -2.896 -4.974 435 2HD ARG 58 2HD ARG 58 -10.722 -4.010 -3.605 436 HE ARG 58 HE ARG 58 -12.730 -1.907 -3.961 437 1HH1 ARG 58 1HH2 ARG 58 -11.989 -5.299 -3.928 438 2HH1 ARG 58 2HH2 ARG 58 -13.560 -5.787 -3.912 439 1HH2 ARG 58 1HH1 ARG 58 -14.875 -2.588 -3.939 440 2HH2 ARG 58 2HH1 ARG 58 -15.252 -4.191 -3.919 441 H CYS 59 H CYS 59 -7.765 2.337 -2.738 442 HA CYS 59 HA CYS 59 -6.790 2.766 -5.374 443 1HB CYS 59 1HB CYS 59 -5.865 4.768 -4.632 444 2HB CYS 59 2HB CYS 59 -7.456 4.586 -3.872 445 H ASN 60 H ASN 60 -5.561 1.446 -2.404 446 HA ASN 60 HA ASN 60 -2.859 1.176 -3.474 447 1HB ASN 60 1HB ASN 60 -2.309 0.326 -1.188 448 2HB ASN 60 2HB ASN 60 -2.956 1.976 -1.181 449 1HD2 ASN 60 2HD2 ASN 60 -4.653 0.456 1.543 450 2HD2 ASN 60 1HD2 ASN 60 -3.191 1.087 1.124 451 H ASN 61 H ASN 61 -3.349 -0.430 -5.002 452 HA ASN 61 HA ASN 61 -3.823 -3.103 -3.888 453 1HB ASN 61 1HB ASN 61 -5.819 -2.399 -5.159 454 2HB ASN 61 2HB ASN 61 -4.800 -2.035 -6.563 455 1HD2 ASN 61 2HD2 ASN 61 -6.425 -5.397 -6.744 456 2HD2 ASN 61 1HD2 ASN 61 -6.979 -3.892 -6.372 Start of MODEL 18 Raw file had 456 H/Q atoms Start of MODEL 18 1 1H LEU 1 2H LEU 1 -14.695 2.623 4.816 2 2H LEU 1 3H LEU 1 -13.671 3.112 5.784 3 3H LEU 1 1H LEU 1 -14.505 4.087 5.025 4 HA LEU 1 HA LEU 1 -13.518 3.500 2.907 5 1HB LEU 1 1HB LEU 1 -12.465 5.179 4.692 6 2HB LEU 1 2HB LEU 1 -11.182 3.957 4.699 7 HG LEU 1 HG LEU 1 -11.997 4.844 2.017 8 1HD1 LEU 1 1HD1 LEU 1 -10.770 6.853 3.868 9 2HD1 LEU 1 2HD1 LEU 1 -10.905 6.997 2.107 10 3HD1 LEU 1 3HD1 LEU 1 -12.367 6.928 3.106 11 1HD2 LEU 1 3HD2 LEU 1 -9.325 4.672 3.457 12 2HD2 LEU 1 1HD2 LEU 1 -10.033 3.406 2.442 13 3HD2 LEU 1 2HD2 LEU 1 -9.549 4.949 1.722 14 H GLU 2 H GLU 2 -13.069 1.830 1.830 15 HA GLU 2 HA GLU 2 -11.940 -0.515 3.137 16 1HB GLU 2 1HB GLU 2 -14.044 -0.282 1.407 17 2HB GLU 2 2HB GLU 2 -12.730 -0.858 0.367 18 1HG GLU 2 1HG GLU 2 -12.269 -2.658 2.048 19 2HG GLU 2 2HG GLU 2 -13.700 -2.125 2.948 20 H CYS 3 H CYS 3 -9.859 -0.872 2.937 21 HA CYS 3 HA CYS 3 -8.430 0.031 0.542 22 1HB CYS 3 1HB CYS 3 -7.485 0.028 3.413 23 2HB CYS 3 2HB CYS 3 -6.402 0.210 2.021 24 H HIS 4 H HIS 4 -6.554 -1.263 0.042 25 HA HIS 4 HA HIS 4 -7.190 -4.054 0.135 26 1HB HIS 4 1HB HIS 4 -5.153 -2.359 -1.248 27 2HB HIS 4 2HB HIS 4 -4.813 -4.087 -1.047 28 HD2 HIS 4 HD2 HIS 4 -6.481 -1.840 -3.552 29 HE1 HIS 4 HE1 HIS 4 -8.283 -5.644 -4.110 30 H ASN 5 H ASN 5 -5.608 -5.665 0.722 31 HA ASN 5 HA ASN 5 -4.027 -4.904 3.072 32 1HB ASN 5 1HB ASN 5 -6.345 -6.635 2.975 33 2HB ASN 5 2HB ASN 5 -4.910 -7.561 3.448 34 1HD2 ASN 5 2HD2 ASN 5 -5.908 -6.576 6.634 35 2HD2 ASN 5 1HD2 ASN 5 -6.026 -7.747 5.484 36 H GLN 6 H GLN 6 -4.686 -7.320 0.592 37 HA GLN 6 HA GLN 6 -2.697 -9.121 0.819 38 1HB GLN 6 1HB GLN 6 -2.542 -8.874 -1.819 39 2HB GLN 6 2HB GLN 6 -3.986 -9.553 -1.048 40 1HG GLN 6 1HG GLN 6 -5.260 -7.670 -1.456 41 2HG GLN 6 2HG GLN 6 -3.855 -6.590 -1.458 42 1HE2 GLN 6 2HE2 GLN 6 -4.318 -6.380 -4.857 43 2HE2 GLN 6 1HE2 GLN 6 -4.456 -5.654 -3.387 44 H GLN 7 H GLN 7 -0.591 -9.320 0.311 45 HA GLN 7 HA GLN 7 0.899 -6.840 -0.176 46 1HB GLN 7 1HB GLN 7 1.058 -8.616 2.087 47 2HB GLN 7 2HB GLN 7 2.617 -8.456 1.261 48 1HG GLN 7 1HG GLN 7 2.898 -6.426 2.162 49 2HG GLN 7 2HG GLN 7 1.406 -5.868 1.387 50 1HE2 GLN 7 2HE2 GLN 7 -0.491 -5.774 4.207 51 2HE2 GLN 7 1HE2 GLN 7 -0.327 -5.505 2.592 52 H SER 8 H SER 8 2.861 -7.094 -1.290 53 HA SER 8 HA SER 8 4.221 -7.854 -2.967 54 1HB SER 8 1HB SER 8 3.683 -10.250 -1.313 55 2HB SER 8 2HB SER 8 4.376 -10.499 -2.926 56 HG SER 8 HG SER 8 6.049 -10.321 -1.260 57 H SER 9 H SER 9 2.486 -10.819 -3.117 58 HA SER 9 HA SER 9 0.892 -9.928 -5.396 59 1HB SER 9 1HB SER 9 3.212 -11.272 -5.823 60 2HB SER 9 2HB SER 9 2.092 -12.630 -5.621 61 HG SER 9 HG SER 9 2.315 -11.997 -7.891 62 H GLN 10 H GLN 10 -0.081 -10.239 -2.898 63 HA GLN 10 HA GLN 10 -1.199 -12.837 -2.472 64 1HB GLN 10 1HB GLN 10 -1.018 -10.390 -0.981 65 2HB GLN 10 2HB GLN 10 -2.666 -11.041 -0.952 66 1HG GLN 10 1HG GLN 10 -1.976 -13.078 -0.001 67 2HG GLN 10 2HG GLN 10 -0.285 -12.831 -0.474 68 1HE2 GLN 10 2HE2 GLN 10 0.345 -11.983 2.781 69 2HE2 GLN 10 1HE2 GLN 10 0.548 -13.047 1.542 70 HA PRO 11 HA PRO 11 -4.984 -12.391 -4.550 71 1HB PRO 11 1HB PRO 11 -6.916 -13.114 -2.687 72 2HB PRO 11 2HB PRO 11 -5.897 -14.246 -3.592 73 1HG PRO 11 1HG PRO 11 -5.752 -13.457 -0.759 74 2HG PRO 11 2HG PRO 11 -5.050 -14.869 -1.569 75 1HD PRO 11 2HD PRO 11 -3.699 -12.488 -0.741 76 2HD PRO 11 1HD PRO 11 -3.022 -13.848 -1.654 77 HA PRO 12 HA PRO 12 -7.037 -8.610 -3.821 78 1HB PRO 12 1HB PRO 12 -9.625 -9.102 -4.699 79 2HB PRO 12 2HB PRO 12 -8.247 -8.794 -5.770 80 1HG PRO 12 1HG PRO 12 -9.661 -11.320 -5.225 81 2HG PRO 12 2HG PRO 12 -8.593 -10.900 -6.575 82 1HD PRO 12 2HD PRO 12 -7.963 -12.510 -4.296 83 2HD PRO 12 1HD PRO 12 -6.863 -11.994 -5.586 84 H THR 13 H THR 13 -6.922 -8.458 -1.645 85 HA THR 13 HA THR 13 -9.384 -9.075 -0.173 86 HB THR 13 HB THR 13 -7.741 -9.301 1.827 87 HG1 THR 13 HG1 THR 13 -5.577 -9.997 1.045 88 1HG2 THR 13 1HG2 THR 13 -7.522 -11.318 -0.489 89 2HG2 THR 13 2HG2 THR 13 -7.241 -11.673 1.225 90 3HG2 THR 13 3HG2 THR 13 -8.876 -11.302 0.654 91 H THR 14 H THR 14 -10.203 -7.471 1.036 92 HA THR 14 HA THR 14 -8.717 -4.957 1.329 93 HB THR 14 HB THR 14 -11.690 -4.903 0.837 94 HG1 THR 14 HG1 THR 14 -11.213 -5.010 -1.519 95 1HG2 THR 14 3HG2 THR 14 -10.248 -2.772 1.092 96 2HG2 THR 14 1HG2 THR 14 -9.331 -3.300 -0.328 97 3HG2 THR 14 2HG2 THR 14 -11.046 -2.883 -0.486 98 H LYS 15 H LYS 15 -9.877 -3.504 2.893 99 HA LYS 15 HA LYS 15 -11.265 -4.803 5.053 100 1HB LYS 15 1HB LYS 15 -8.764 -5.332 5.246 101 2HB LYS 15 2HB LYS 15 -8.652 -3.672 5.858 102 1HG LYS 15 1HG LYS 15 -9.473 -4.309 7.845 103 2HG LYS 15 2HG LYS 15 -10.911 -4.990 7.068 104 1HD LYS 15 1HD LYS 15 -10.154 -7.099 7.297 105 2HD LYS 15 2HD LYS 15 -8.544 -6.667 6.696 106 1HE LYS 15 1HE LYS 15 -8.195 -5.587 9.028 107 2HE LYS 15 2HE LYS 15 -9.601 -6.544 9.522 108 1HZ LYS 15 3HZ LYS 15 -8.341 -8.503 8.814 109 2HZ LYS 15 1HZ LYS 15 -7.157 -7.698 8.399 110 3HZ LYS 15 2HZ LYS 15 -7.532 -7.783 9.840 111 H THR 16 H THR 16 -11.914 -3.254 6.663 112 HA THR 16 HA THR 16 -12.252 -0.572 5.572 113 HB THR 16 HB THR 16 -13.745 -2.066 7.713 114 HG1 THR 16 HG1 THR 16 -15.426 -1.879 5.863 115 1HG2 THR 16 3HG2 THR 16 -13.820 0.365 8.130 116 2HG2 THR 16 1HG2 THR 16 -14.332 0.638 6.456 117 3HG2 THR 16 2HG2 THR 16 -15.391 -0.240 7.574 118 H CYS 17 H CYS 17 -11.226 1.086 6.428 119 HA CYS 17 HA CYS 17 -9.727 0.746 8.913 120 1HB CYS 17 1HB CYS 17 -9.422 2.761 6.678 121 2HB CYS 17 2HB CYS 17 -8.504 2.796 8.194 122 H SER 18 H SER 18 -9.860 2.273 10.526 123 HA SER 18 HA SER 18 -12.207 4.034 10.450 124 1HB SER 18 1HB SER 18 -11.835 1.783 12.103 125 2HB SER 18 2HB SER 18 -11.667 3.220 13.126 126 HG SER 18 HG SER 18 -13.907 2.459 13.030 127 H GLY 19 H GLY 19 -12.048 5.883 11.794 128 1HA GLY 19 1HA GLY 19 -11.039 7.603 12.957 129 2HA GLY 19 2HA GLY 19 -9.590 6.591 13.090 130 H GLU 20 H GLU 20 -8.995 6.067 10.514 131 HA GLU 20 HA GLU 20 -8.430 8.706 9.362 132 1HB GLU 20 1HB GLU 20 -6.342 8.058 9.867 133 2HB GLU 20 2HB GLU 20 -6.716 6.330 9.743 134 1HG GLU 20 1HG GLU 20 -6.955 7.849 7.214 135 2HG GLU 20 2HG GLU 20 -5.312 7.737 7.870 136 H THR 21 H THR 21 -8.778 9.001 7.226 137 HA THR 21 HA THR 21 -10.047 6.822 5.723 138 HB THR 21 HB THR 21 -11.382 8.605 4.608 139 HG1 THR 21 HG1 THR 21 -11.257 10.765 5.659 140 1HG2 THR 21 1HG2 THR 21 -11.439 8.824 7.679 141 2HG2 THR 21 2HG2 THR 21 -12.781 9.207 6.588 142 3HG2 THR 21 3HG2 THR 21 -12.253 7.527 6.789 143 H ASN 22 H ASN 22 -7.388 6.895 5.592 144 HA ASN 22 HA ASN 22 -6.874 7.702 2.855 145 1HB ASN 22 1HB ASN 22 -5.082 8.503 5.172 146 2HB ASN 22 2HB ASN 22 -4.685 8.689 3.455 147 1HD2 ASN 22 2HD2 ASN 22 -7.589 10.979 5.216 148 2HD2 ASN 22 1HD2 ASN 22 -7.212 9.484 5.791 149 H CYS 23 H CYS 23 -5.022 6.598 1.995 150 HA CYS 23 HA CYS 23 -3.762 4.490 3.535 151 1HB CYS 23 1HB CYS 23 -5.347 3.793 1.094 152 2HB CYS 23 2HB CYS 23 -4.359 2.711 2.091 153 OH TYR 24 OH TYR 24 2.971 1.941 5.441 154 H TYR 24 H TYR 24 -1.966 3.598 2.364 155 HA TYR 24 HA TYR 24 -1.059 5.050 -0.014 156 1HB TYR 24 1HB TYR 24 0.968 5.657 1.041 157 2HB TYR 24 2HB TYR 24 -0.276 6.002 2.256 158 HD1 TYR 24 HD2 TYR 24 -0.630 4.352 4.132 159 HD2 TYR 24 HD1 TYR 24 2.720 4.144 1.494 160 HE1 TYR 24 HE2 TYR 24 0.599 2.886 5.798 161 HE2 TYR 24 HE1 TYR 24 3.938 2.676 3.168 162 HH TYR 24 HH TYR 24 2.344 1.781 6.311 163 H LYS 25 H LYS 25 0.770 3.987 -1.026 164 HA LYS 25 HA LYS 25 1.046 1.133 -0.411 165 1HB LYS 25 1HB LYS 25 1.365 0.974 -3.014 166 2HB LYS 25 2HB LYS 25 -0.268 1.002 -2.327 167 1HG LYS 25 1HG LYS 25 -0.703 3.130 -3.090 168 2HG LYS 25 2HG LYS 25 0.997 3.625 -3.001 169 1HD LYS 25 1HD LYS 25 1.308 3.142 -5.169 170 2HD LYS 25 2HD LYS 25 0.674 1.504 -4.941 171 1HE LYS 25 1HE LYS 25 -0.707 2.610 -6.579 172 2HE LYS 25 2HE LYS 25 -1.648 2.467 -5.085 173 1HZ LYS 25 3HZ LYS 25 -1.072 4.793 -4.663 174 2HZ LYS 25 1HZ LYS 25 -0.280 4.915 -5.922 175 3HZ LYS 25 2HZ LYS 25 -1.758 4.722 -5.987 176 H LYS 26 H LYS 26 2.984 0.174 -0.949 177 HA LYS 26 HA LYS 26 5.247 1.866 -1.599 178 1HB LYS 26 1HB LYS 26 6.427 0.928 0.487 179 2HB LYS 26 2HB LYS 26 5.424 2.386 0.564 180 1HG LYS 26 1HG LYS 26 3.618 1.220 1.566 181 2HG LYS 26 2HG LYS 26 4.300 -0.360 1.143 182 1HD LYS 26 1HD LYS 26 5.639 1.583 3.045 183 2HD LYS 26 2HD LYS 26 4.539 0.297 3.575 184 1HE LYS 26 1HE LYS 26 6.026 -1.379 2.495 185 2HE LYS 26 2HE LYS 26 7.145 -0.075 2.060 186 1HZ LYS 26 1HZ LYS 26 6.461 -0.789 4.816 187 2HZ LYS 26 2HZ LYS 26 7.767 -1.110 4.171 188 3HZ LYS 26 3HZ LYS 26 7.403 0.308 4.450 189 CH2 TRP 27 CH2 TRP 27 4.185 3.056 -5.913 190 H TRP 27 H TRP 27 6.757 0.731 -2.652 191 HA TRP 27 HA TRP 27 7.019 -2.129 -2.416 192 1HB TRP 27 1HB TRP 27 6.717 -2.560 -4.797 193 2HB TRP 27 2HB TRP 27 5.231 -1.906 -4.087 194 HD1 TRP 27 HD1 TRP 27 7.609 -1.299 -6.914 195 HE1 TRP 27 HE1 TRP 27 6.995 0.860 -8.140 196 HE3 TRP 27 HE3 TRP 27 4.301 0.549 -3.539 197 HZ2 TRP 27 HZ2 TRP 27 5.319 3.110 -7.769 198 HZ3 TRP 27 HZ3 TRP 27 3.220 2.734 -4.048 199 HH2 TRP 27 HH2 TRP 27 3.681 4.003 -6.079 200 CH2 TRP 28 CH2 TRP 28 9.721 -4.443 1.593 201 H TRP 28 H TRP 28 8.883 -2.889 -3.616 202 HA TRP 28 HA TRP 28 10.840 -0.999 -4.537 203 1HB TRP 28 1HB TRP 28 12.428 -1.153 -2.894 204 2HB TRP 28 2HB TRP 28 10.906 -0.820 -2.050 205 HD1 TRP 28 HD1 TRP 28 13.458 -3.674 -2.549 206 HE1 TRP 28 HE1 TRP 28 13.125 -5.395 -0.686 207 HE3 TRP 28 HE3 TRP 28 9.269 -1.705 -0.464 208 HZ2 TRP 28 HZ2 TRP 28 11.325 -5.906 1.436 209 HZ3 TRP 28 HZ3 TRP 28 8.288 -2.879 1.500 210 HH2 TRP 28 HH2 TRP 28 9.248 -4.909 2.451 211 H SER 29 H SER 29 12.149 -2.024 -5.920 212 HA SER 29 HA SER 29 11.803 -4.872 -6.351 213 1HB SER 29 1HB SER 29 13.193 -4.424 -8.416 214 2HB SER 29 2HB SER 29 11.636 -3.579 -8.356 215 HG SER 29 HG SER 29 13.375 -2.177 -9.139 216 H ASP 30 H ASP 30 13.402 -6.344 -6.269 217 HA ASP 30 HA ASP 30 15.806 -5.574 -4.785 218 1HB ASP 30 1HB ASP 30 15.971 -8.111 -4.448 219 2HB ASP 30 2HB ASP 30 14.704 -7.244 -3.562 220 H HIS 31 H HIS 31 17.434 -7.622 -5.318 221 HA HIS 31 HA HIS 31 18.776 -7.015 -7.615 222 1HB HIS 31 1HB HIS 31 18.871 -9.194 -5.705 223 2HB HIS 31 2HB HIS 31 19.453 -9.603 -7.328 224 HD2 HIS 31 HD2 HIS 31 21.332 -7.309 -8.220 225 HE1 HIS 31 HE1 HIS 31 22.942 -7.202 -4.294 226 NH1 ARG 32 NH2 ARG 32 16.857 -14.217 -14.160 227 NH2 ARG 32 NH1 ARG 32 16.105 -12.232 -15.091 228 H ARG 32 H ARG 32 16.800 -9.929 -7.187 229 HA ARG 32 HA ARG 32 15.897 -9.709 -9.960 230 1HB ARG 32 1HB ARG 32 17.627 -11.401 -10.001 231 2HB ARG 32 2HB ARG 32 16.934 -12.203 -8.580 232 1HG ARG 32 1HG ARG 32 15.369 -13.281 -9.807 233 2HG ARG 32 2HG ARG 32 15.030 -11.851 -10.797 234 1HD ARG 32 1HD ARG 32 17.680 -12.978 -11.328 235 2HD ARG 32 2HD ARG 32 16.375 -14.137 -11.635 236 HE ARG 32 HE ARG 32 15.990 -11.492 -12.752 237 1HH1 ARG 32 1HH2 ARG 32 17.082 -14.725 -13.389 238 2HH1 ARG 32 2HH2 ARG 32 16.938 -14.603 -15.024 239 1HH2 ARG 32 1HH1 ARG 32 15.800 -11.338 -14.989 240 2HH2 ARG 32 2HH1 ARG 32 16.185 -12.611 -15.958 241 H GLY 33 H GLY 33 14.304 -8.738 -8.179 242 1HA GLY 33 1HA GLY 33 11.984 -10.346 -8.287 243 2HA GLY 33 2HA GLY 33 12.631 -10.271 -6.639 244 H THR 34 H THR 34 10.320 -9.283 -6.618 245 HA THR 34 HA THR 34 10.611 -6.441 -6.261 246 HB THR 34 HB THR 34 8.648 -7.622 -8.257 247 HG1 THR 34 HG1 THR 34 9.979 -6.062 -9.697 248 1HG2 THR 34 3HG2 THR 34 7.629 -5.742 -7.027 249 2HG2 THR 34 1HG2 THR 34 9.029 -4.729 -7.416 250 3HG2 THR 34 2HG2 THR 34 7.964 -5.302 -8.710 251 H ILE 35 H ILE 35 9.858 -6.035 -4.400 252 HA ILE 35 HA ILE 35 7.756 -7.706 -3.246 253 HB ILE 35 HB ILE 35 9.702 -5.895 -1.880 254 1HG1 ILE 35 1HG1 ILE 35 9.468 -8.900 -1.695 255 2HG1 ILE 35 2HG1 ILE 35 10.480 -8.128 -2.929 256 1HG2 ILE 35 3HG2 ILE 35 7.624 -5.847 -0.719 257 2HG2 ILE 35 1HG2 ILE 35 7.540 -7.616 -0.725 258 3HG2 ILE 35 2HG2 ILE 35 8.820 -6.794 0.181 259 1HD1 ILE 35 1HD1 ILE 35 10.731 -7.723 0.074 260 2HD1 ILE 35 2HD1 ILE 35 11.808 -8.708 -0.931 261 3HD1 ILE 35 3HD1 ILE 35 11.741 -6.952 -1.159 262 H ILE 36 H ILE 36 5.850 -6.837 -2.626 263 HA ILE 36 HA ILE 36 5.386 -3.973 -3.040 264 HB ILE 36 HB ILE 36 3.488 -6.226 -3.777 265 1HG1 ILE 36 1HG1 ILE 36 3.972 -5.053 -6.107 266 2HG1 ILE 36 2HG1 ILE 36 5.554 -4.864 -5.331 267 1HG2 ILE 36 1HG2 ILE 36 3.296 -3.223 -4.208 268 2HG2 ILE 36 2HG2 ILE 36 2.138 -4.429 -4.795 269 3HG2 ILE 36 3HG2 ILE 36 2.335 -4.164 -3.055 270 1HD1 ILE 36 1HD1 ILE 36 4.017 -7.472 -5.611 271 2HD1 ILE 36 2HD1 ILE 36 5.424 -6.992 -6.574 272 3HD1 ILE 36 3HD1 ILE 36 5.598 -7.283 -4.836 273 H GLU 37 H GLU 37 3.901 -2.995 -1.749 274 HA GLU 37 HA GLU 37 2.793 -4.430 0.505 275 1HB GLU 37 1HB GLU 37 4.920 -4.049 1.412 276 2HB GLU 37 2HB GLU 37 4.944 -2.370 0.849 277 1HG GLU 37 1HG GLU 37 4.440 -2.429 3.234 278 2HG GLU 37 2HG GLU 37 3.017 -1.872 2.337 279 NH1 ARG 38 NH2 ARG 38 1.925 -1.187 -3.631 280 NH2 ARG 38 NH1 ARG 38 1.035 -1.826 -5.674 281 H ARG 38 H ARG 38 1.043 -3.420 1.344 282 HA ARG 38 HA ARG 38 0.413 -0.674 0.672 283 1HB ARG 38 1HB ARG 38 -1.275 -3.044 -0.174 284 2HB ARG 38 2HB ARG 38 -1.912 -1.394 -0.054 285 1HG ARG 38 1HG ARG 38 -1.284 -1.292 -2.241 286 2HG ARG 38 2HG ARG 38 0.305 -0.932 -1.542 287 1HD ARG 38 1HD ARG 38 1.090 -3.124 -1.889 288 2HD ARG 38 2HD ARG 38 -0.547 -3.781 -2.064 289 HE ARG 38 HE ARG 38 -0.422 -3.241 -4.294 290 1HH1 ARG 38 1HH2 ARG 38 1.930 -1.258 -2.683 291 2HH1 ARG 38 2HH2 ARG 38 2.535 -0.605 -4.066 292 1HH2 ARG 38 1HH1 ARG 38 0.416 -2.342 -6.179 293 2HH2 ARG 38 2HH1 ARG 38 1.642 -1.245 -6.118 294 H GLY 39 H GLY 39 -1.247 0.196 1.943 295 1HA GLY 39 1HA GLY 39 -2.711 -1.167 3.901 296 2HA GLY 39 2HA GLY 39 -1.236 -0.507 4.626 297 H CYS 40 H CYS 40 -3.132 0.583 5.799 298 HA CYS 40 HA CYS 40 -4.246 2.893 4.431 299 1HB CYS 40 1HB CYS 40 -4.917 1.412 6.848 300 2HB CYS 40 2HB CYS 40 -5.083 3.172 6.960 301 H GLY 41 H GLY 41 -3.997 4.996 5.466 302 1HA GLY 41 1HA GLY 41 -2.888 6.542 6.889 303 2HA GLY 41 2HA GLY 41 -1.580 5.359 7.061 304 H CYS 42 H CYS 42 -0.454 7.492 6.544 305 HA CYS 42 HA CYS 42 0.390 7.429 3.779 306 1HB CYS 42 1HB CYS 42 -1.436 8.949 3.611 307 2HB CYS 42 2HB CYS 42 -0.784 9.926 4.938 308 HA PRO 43 HA PRO 43 3.632 8.185 6.903 309 1HB PRO 43 1HB PRO 43 5.333 6.178 6.009 310 2HB PRO 43 2HB PRO 43 4.151 6.006 7.318 311 1HG PRO 43 1HG PRO 43 4.063 4.948 4.571 312 2HG PRO 43 2HG PRO 43 3.137 4.448 5.996 313 1HD PRO 43 2HD PRO 43 2.225 6.043 3.804 314 2HD PRO 43 1HD PRO 43 1.338 5.641 5.285 315 H LYS 44 H LYS 44 6.121 8.347 6.364 316 HA LYS 44 HA LYS 44 6.329 10.133 4.095 317 1HB LYS 44 1HB LYS 44 8.438 10.825 5.044 318 2HB LYS 44 2HB LYS 44 7.242 10.763 6.350 319 1HG LYS 44 1HG LYS 44 8.083 8.455 6.903 320 2HG LYS 44 2HG LYS 44 9.377 8.704 5.720 321 1HD LYS 44 1HD LYS 44 10.369 10.423 6.991 322 2HD LYS 44 2HD LYS 44 8.907 10.671 7.962 323 1HE LYS 44 1HE LYS 44 9.231 8.479 9.028 324 2HE LYS 44 2HE LYS 44 10.674 8.200 8.037 325 1HZ LYS 44 1HZ LYS 44 10.436 10.354 10.006 326 2HZ LYS 44 2HZ LYS 44 11.255 9.125 10.210 327 3HZ LYS 44 3HZ LYS 44 11.650 10.120 9.172 328 H VAL 45 H VAL 45 7.418 9.838 2.323 329 HA VAL 45 HA VAL 45 8.014 7.148 1.538 330 HB VAL 45 HB VAL 45 6.872 8.713 0.052 331 1HG1 VAL 45 1HG1 VAL 45 9.498 10.172 -0.031 332 2HG1 VAL 45 2HG1 VAL 45 8.111 10.458 -1.094 333 3HG1 VAL 45 3HG1 VAL 45 7.972 10.763 0.645 334 1HG2 VAL 45 1HG2 VAL 45 8.086 6.765 -0.861 335 2HG2 VAL 45 2HG2 VAL 45 8.177 8.147 -1.965 336 3HG2 VAL 45 3HG2 VAL 45 9.568 7.730 -0.951 337 H LYS 46 H LYS 46 9.865 6.273 2.132 338 HA LYS 46 HA LYS 46 12.209 7.797 2.801 339 1HB LYS 46 1HB LYS 46 11.492 4.930 3.011 340 2HB LYS 46 2HB LYS 46 13.173 5.470 3.155 341 1HG LYS 46 1HG LYS 46 12.064 7.261 4.793 342 2HG LYS 46 2HG LYS 46 10.838 5.991 4.948 343 1HD LYS 46 1HD LYS 46 12.171 4.971 6.435 344 2HD LYS 46 2HD LYS 46 13.325 4.675 5.123 345 1HE LYS 46 1HE LYS 46 14.787 6.118 6.024 346 2HE LYS 46 2HE LYS 46 13.567 7.403 6.035 347 1HZ LYS 46 3HZ LYS 46 12.839 6.499 8.174 348 2HZ LYS 46 1HZ LYS 46 13.867 5.418 8.164 349 3HZ LYS 46 2HZ LYS 46 14.286 6.843 8.289 350 HA PRO 47 HA PRO 47 14.199 7.419 -1.070 351 1HB PRO 47 1HB PRO 47 16.855 7.262 -0.272 352 2HB PRO 47 2HB PRO 47 15.922 8.767 -0.351 353 1HG PRO 47 1HG PRO 47 16.787 7.227 2.006 354 2HG PRO 47 2HG PRO 47 16.246 8.911 1.901 355 1HD PRO 47 2HD PRO 47 14.758 6.665 2.856 356 2HD PRO 47 1HD PRO 47 14.181 8.326 2.641 357 H GLY 48 H GLY 48 15.077 6.005 -2.499 358 1HA GLY 48 1HA GLY 48 15.715 4.006 -3.417 359 2HA GLY 48 2HA GLY 48 16.260 3.529 -1.800 360 H VAL 49 H VAL 49 13.151 4.575 -1.568 361 HA VAL 49 HA VAL 49 11.977 1.926 -2.030 362 HB VAL 49 HB VAL 49 11.573 3.619 0.417 363 1HG1 VAL 49 3HG1 VAL 49 9.497 2.606 -0.245 364 2HG1 VAL 49 1HG1 VAL 49 10.283 1.023 -0.380 365 3HG1 VAL 49 2HG1 VAL 49 10.150 1.814 1.200 366 1HG2 VAL 49 1HG2 VAL 49 13.718 2.393 0.402 367 2HG2 VAL 49 2HG2 VAL 49 12.590 1.691 1.574 368 3HG2 VAL 49 3HG2 VAL 49 12.858 0.893 0.015 369 H ASN 50 H ASN 50 9.996 1.967 -2.929 370 HA ASN 50 HA ASN 50 8.999 4.486 -3.946 371 1HB ASN 50 1HB ASN 50 7.798 1.755 -4.441 372 2HB ASN 50 2HB ASN 50 7.650 3.218 -5.431 373 1HD2 ASN 50 2HD2 ASN 50 9.934 1.467 -7.411 374 2HD2 ASN 50 1HD2 ASN 50 8.335 1.723 -7.118 375 H LEU 51 H LEU 51 7.214 5.437 -3.177 376 HA LEU 51 HA LEU 51 5.224 4.014 -1.630 377 1HB LEU 51 1HB LEU 51 7.098 4.695 -0.107 378 2HB LEU 51 2HB LEU 51 6.496 6.348 -0.323 379 HG LEU 51 HG LEU 51 4.549 4.246 0.499 380 1HD1 LEU 51 3HD1 LEU 51 6.403 3.660 1.874 381 2HD1 LEU 51 1HD1 LEU 51 6.592 5.342 2.396 382 3HD1 LEU 51 2HD1 LEU 51 5.134 4.437 2.835 383 1HD2 LEU 51 1HD2 LEU 51 3.822 6.573 0.098 384 2HD2 LEU 51 2HD2 LEU 51 3.634 6.130 1.804 385 3HD2 LEU 51 3HD2 LEU 51 4.995 7.144 1.296 386 H ASN 52 H ASN 52 3.267 4.918 -1.888 387 HA ASN 52 HA ASN 52 3.019 7.603 -3.006 388 1HB ASN 52 1HB ASN 52 2.870 5.728 -4.784 389 2HB ASN 52 2HB ASN 52 1.318 5.330 -4.029 390 1HD2 ASN 52 2HD2 ASN 52 1.581 8.171 -6.736 391 2HD2 ASN 52 1HD2 ASN 52 2.682 6.981 -6.457 392 H CYS 53 H CYS 53 1.293 8.682 -2.203 393 HA CYS 53 HA CYS 53 -0.417 7.328 -0.242 394 1HB CYS 53 1HB CYS 53 0.557 10.137 -0.405 395 2HB CYS 53 2HB CYS 53 -0.880 9.692 0.531 396 H CYS 54 H CYS 54 -2.615 7.597 -0.396 397 HA CYS 54 HA CYS 54 -3.838 9.262 -2.388 398 1HB CYS 54 1HB CYS 54 -5.129 7.203 -3.268 399 2HB CYS 54 2HB CYS 54 -3.512 7.543 -3.908 400 NH1 ARG 55 NH2 ARG 55 -6.892 15.551 0.657 401 NH2 ARG 55 NH1 ARG 55 -4.968 15.364 1.938 402 H ARG 55 H ARG 55 -6.153 9.237 -2.193 403 HA ARG 55 HA ARG 55 -7.030 8.508 0.510 404 1HB ARG 55 1HB ARG 55 -8.113 10.761 -1.208 405 2HB ARG 55 2HB ARG 55 -8.523 10.409 0.479 406 1HG ARG 55 1HG ARG 55 -6.164 10.853 1.117 407 2HG ARG 55 2HG ARG 55 -5.805 11.270 -0.568 408 1HD ARG 55 1HD ARG 55 -7.241 13.183 -0.494 409 2HD ARG 55 2HD ARG 55 -7.948 12.677 1.049 410 HE ARG 55 HE ARG 55 -5.314 12.954 1.620 411 1HH1 ARG 55 1HH2 ARG 55 -7.595 15.135 0.171 412 2HH1 ARG 55 2HH2 ARG 55 -6.852 16.498 0.717 413 1HH2 ARG 55 1HH1 ARG 55 -4.308 14.827 2.360 414 2HH2 ARG 55 2HH1 ARG 55 -4.922 16.311 2.002 415 H THR 56 H THR 56 -7.195 7.303 -2.357 416 HA THR 56 HA THR 56 -10.086 6.847 -2.474 417 HB THR 56 HB THR 56 -9.249 5.714 -4.734 418 HG1 THR 56 HG1 THR 56 -7.179 6.739 -5.410 419 1HG2 THR 56 3HG2 THR 56 -10.423 8.015 -4.628 420 2HG2 THR 56 1HG2 THR 56 -8.832 8.740 -4.339 421 3HG2 THR 56 2HG2 THR 56 -9.172 7.934 -5.880 422 H ASP 57 H ASP 57 -10.988 4.912 -2.324 423 HA ASP 57 HA ASP 57 -9.774 3.014 -0.628 424 1HB ASP 57 1HB ASP 57 -12.315 3.083 -2.235 425 2HB ASP 57 2HB ASP 57 -11.781 1.573 -1.474 426 NH1 ARG 58 NH2 ARG 58 -12.564 -4.791 -4.612 427 NH2 ARG 58 NH1 ARG 58 -14.094 -3.050 -4.615 428 H ARG 58 H ARG 58 -9.040 0.967 -1.112 429 HA ARG 58 HA ARG 58 -7.821 -0.597 -2.260 430 1HB ARG 58 1HB ARG 58 -10.239 -0.083 -3.911 431 2HB ARG 58 2HB ARG 58 -8.911 -0.994 -4.651 432 1HG ARG 58 1HG ARG 58 -8.947 -2.422 -2.503 433 2HG ARG 58 2HG ARG 58 -10.524 -1.678 -2.190 434 1HD ARG 58 1HD ARG 58 -9.955 -2.950 -4.862 435 2HD ARG 58 2HD ARG 58 -10.417 -3.955 -3.477 436 HE ARG 58 HE ARG 58 -12.141 -1.689 -4.017 437 1HH1 ARG 58 1HH2 ARG 58 -11.673 -5.095 -4.492 438 2HH1 ARG 58 2HH2 ARG 58 -13.249 -5.407 -4.845 439 1HH2 ARG 58 1HH1 ARG 58 -14.293 -2.128 -4.499 440 2HH2 ARG 58 2HH1 ARG 58 -14.785 -3.658 -4.848 441 H CYS 59 H CYS 59 -7.354 2.382 -2.668 442 HA CYS 59 HA CYS 59 -6.389 2.770 -5.312 443 1HB CYS 59 1HB CYS 59 -5.553 4.818 -4.642 444 2HB CYS 59 2HB CYS 59 -7.098 4.594 -3.805 445 H ASN 60 H ASN 60 -5.197 1.364 -2.407 446 HA ASN 60 HA ASN 60 -2.445 1.263 -3.373 447 1HB ASN 60 1HB ASN 60 -2.001 0.210 -1.122 448 2HB ASN 60 2HB ASN 60 -2.609 1.873 -1.043 449 1HD2 ASN 60 2HD2 ASN 60 -4.519 0.337 1.490 450 2HD2 ASN 60 1HD2 ASN 60 -3.046 1.005 1.179 451 H ASN 61 H ASN 61 -3.116 -0.200 -5.085 452 HA ASN 61 HA ASN 61 -3.371 -2.984 -4.182 453 1HB ASN 61 1HB ASN 61 -5.441 -2.472 -5.274 454 2HB ASN 61 2HB ASN 61 -4.612 -1.617 -6.587 455 1HD2 ASN 61 2HD2 ASN 61 -5.500 -5.441 -6.893 456 2HD2 ASN 61 1HD2 ASN 61 -6.139 -4.376 -5.814 Start of MODEL 19 Raw file had 456 H/Q atoms Start of MODEL 19 1 1H LEU 1 2H LEU 1 -14.695 2.893 4.879 2 2H LEU 1 3H LEU 1 -13.841 3.573 5.895 3 3H LEU 1 1H LEU 1 -14.615 4.382 4.910 4 HA LEU 1 HA LEU 1 -13.317 3.601 3.037 5 1HB LEU 1 1HB LEU 1 -12.607 5.561 4.710 6 2HB LEU 1 2HB LEU 1 -11.267 4.444 5.023 7 HG LEU 1 HG LEU 1 -11.660 4.791 2.183 8 1HD1 LEU 1 3HD1 LEU 1 -12.543 7.010 2.816 9 2HD1 LEU 1 1HD1 LEU 1 -11.102 7.301 3.804 10 3HD1 LEU 1 2HD1 LEU 1 -10.954 7.152 2.046 11 1HD2 LEU 1 1HD2 LEU 1 -9.697 3.832 3.129 12 2HD2 LEU 1 2HD2 LEU 1 -9.299 5.304 2.227 13 3HD2 LEU 1 3HD2 LEU 1 -9.340 5.334 3.998 14 H GLU 2 H GLU 2 -12.861 1.737 2.347 15 HA GLU 2 HA GLU 2 -11.492 -0.186 4.073 16 1HB GLU 2 1HB GLU 2 -12.405 -1.920 2.777 17 2HB GLU 2 2HB GLU 2 -13.725 -0.744 2.884 18 1HG GLU 2 1HG GLU 2 -12.893 0.197 0.666 19 2HG GLU 2 2HG GLU 2 -11.855 -1.236 0.554 20 H CYS 3 H CYS 3 -9.486 -0.624 3.800 21 HA CYS 3 HA CYS 3 -8.097 0.307 1.395 22 1HB CYS 3 1HB CYS 3 -6.984 -0.348 4.095 23 2HB CYS 3 2HB CYS 3 -6.051 0.149 2.673 24 H HIS 4 H HIS 4 -6.270 -1.145 0.754 25 HA HIS 4 HA HIS 4 -7.227 -3.776 0.244 26 1HB HIS 4 1HB HIS 4 -5.066 -2.065 -0.695 27 2HB HIS 4 2HB HIS 4 -4.522 -3.731 -0.428 28 HD2 HIS 4 HD2 HIS 4 -5.694 -1.832 -3.319 29 HE1 HIS 4 HE1 HIS 4 -7.515 -5.626 -3.875 30 H ASN 5 H ASN 5 -5.847 -5.677 0.626 31 HA ASN 5 HA ASN 5 -4.669 -5.630 3.313 32 1HB ASN 5 1HB ASN 5 -7.044 -7.020 2.455 33 2HB ASN 5 2HB ASN 5 -5.783 -8.202 2.841 34 1HD2 ASN 5 2HD2 ASN 5 -7.326 -7.877 5.984 35 2HD2 ASN 5 1HD2 ASN 5 -7.429 -8.654 4.536 36 H GLN 6 H GLN 6 -5.013 -7.351 0.255 37 HA GLN 6 HA GLN 6 -3.112 -9.306 0.443 38 1HB GLN 6 1HB GLN 6 -2.769 -8.878 -2.069 39 2HB GLN 6 2HB GLN 6 -4.340 -9.441 -1.472 40 1HG GLN 6 1HG GLN 6 -5.386 -7.520 -2.061 41 2HG GLN 6 2HG GLN 6 -4.040 -6.507 -1.512 42 1HE2 GLN 6 2HE2 GLN 6 -4.659 -6.618 -5.268 43 2HE2 GLN 6 1HE2 GLN 6 -5.714 -6.624 -4.005 44 H GLN 7 H GLN 7 -0.929 -9.405 0.008 45 HA GLN 7 HA GLN 7 0.548 -6.871 -0.058 46 1HB GLN 7 1HB GLN 7 1.008 -9.252 1.686 47 2HB GLN 7 2HB GLN 7 2.317 -8.131 1.273 48 1HG GLN 7 1HG GLN 7 0.741 -6.261 2.049 49 2HG GLN 7 2HG GLN 7 -0.255 -7.546 2.754 50 1HE2 GLN 7 2HE2 GLN 7 1.500 -7.498 5.652 51 2HE2 GLN 7 1HE2 GLN 7 0.069 -7.550 4.841 52 H SER 8 H SER 8 2.624 -7.005 -1.038 53 HA SER 8 HA SER 8 4.083 -7.524 -2.726 54 1HB SER 8 1HB SER 8 3.350 -10.150 -1.566 55 2HB SER 8 2HB SER 8 4.171 -10.132 -3.137 56 HG SER 8 HG SER 8 5.701 -10.320 -1.339 57 H SER 9 H SER 9 2.313 -10.351 -3.527 58 HA SER 9 HA SER 9 0.889 -9.017 -5.701 59 1HB SER 9 1HB SER 9 3.205 -10.597 -6.058 60 2HB SER 9 2HB SER 9 1.835 -11.607 -6.551 61 HG SER 9 HG SER 9 2.728 -10.375 -8.367 62 H GLN 10 H GLN 10 -0.200 -9.803 -3.320 63 HA GLN 10 HA GLN 10 -1.400 -12.385 -3.469 64 1HB GLN 10 1HB GLN 10 -1.287 -10.254 -1.545 65 2HB GLN 10 2HB GLN 10 -2.937 -10.873 -1.732 66 1HG GLN 10 1HG GLN 10 -2.424 -12.828 -0.734 67 2HG GLN 10 2HG GLN 10 -0.934 -13.006 -1.676 68 1HE2 GLN 10 2HE2 GLN 10 -0.908 -11.878 2.143 69 2HE2 GLN 10 1HE2 GLN 10 -2.233 -12.416 1.329 70 HA PRO 11 HA PRO 11 -5.064 -11.431 -5.650 71 1HB PRO 11 1HB PRO 11 -7.097 -12.469 -4.069 72 2HB PRO 11 2HB PRO 11 -6.040 -13.443 -5.105 73 1HG PRO 11 1HG PRO 11 -6.063 -13.191 -2.171 74 2HG PRO 11 2HG PRO 11 -5.331 -14.447 -3.184 75 1HD PRO 11 2HD PRO 11 -3.999 -12.295 -1.854 76 2HD PRO 11 1HD PRO 11 -3.286 -13.481 -2.960 77 HA PRO 12 HA PRO 12 -7.096 -7.840 -4.359 78 1HB PRO 12 1HB PRO 12 -9.645 -8.117 -5.424 79 2HB PRO 12 2HB PRO 12 -8.214 -7.654 -6.361 80 1HG PRO 12 1HG PRO 12 -9.683 -10.206 -6.335 81 2HG PRO 12 2HG PRO 12 -8.546 -9.576 -7.540 82 1HD PRO 12 2HD PRO 12 -8.046 -11.576 -5.558 83 2HD PRO 12 1HD PRO 12 -6.879 -10.863 -6.685 84 H THR 13 H THR 13 -7.312 -7.659 -2.275 85 HA THR 13 HA THR 13 -9.815 -8.464 -1.025 86 HB THR 13 HB THR 13 -8.466 -9.320 0.943 87 HG1 THR 13 HG1 THR 13 -6.154 -9.963 0.219 88 1HG2 THR 13 3HG2 THR 13 -9.488 -10.923 -0.630 89 2HG2 THR 13 1HG2 THR 13 -8.051 -10.827 -1.662 90 3HG2 THR 13 2HG2 THR 13 -7.928 -11.514 -0.034 91 H THR 14 H THR 14 -10.576 -7.121 0.415 92 HA THR 14 HA THR 14 -8.931 -4.872 1.314 93 HB THR 14 HB THR 14 -11.744 -4.274 0.608 94 HG1 THR 14 HG1 THR 14 -10.989 -4.110 -1.776 95 1HG2 THR 14 1HG2 THR 14 -9.125 -2.890 -0.066 96 2HG2 THR 14 2HG2 THR 14 -10.747 -2.235 -0.346 97 3HG2 THR 14 3HG2 THR 14 -10.173 -2.504 1.309 98 H LYS 15 H LYS 15 -10.140 -3.598 2.983 99 HA LYS 15 HA LYS 15 -12.092 -4.808 4.604 100 1HB LYS 15 1HB LYS 15 -10.816 -5.642 6.421 101 2HB LYS 15 2HB LYS 15 -10.050 -6.319 4.973 102 1HG LYS 15 1HG LYS 15 -8.103 -5.372 5.547 103 2HG LYS 15 2HG LYS 15 -8.860 -3.770 5.514 104 1HD LYS 15 1HD LYS 15 -9.771 -4.465 7.878 105 2HD LYS 15 2HD LYS 15 -8.436 -5.629 7.839 106 1HE LYS 15 1HE LYS 15 -6.805 -3.893 7.640 107 2HE LYS 15 2HE LYS 15 -8.046 -2.672 7.304 108 1HZ LYS 15 1HZ LYS 15 -7.746 -4.028 9.880 109 2HZ LYS 15 2HZ LYS 15 -7.351 -2.612 9.634 110 3HZ LYS 15 3HZ LYS 15 -8.790 -3.002 9.598 111 H THR 16 H THR 16 -12.594 -3.613 6.444 112 HA THR 16 HA THR 16 -12.499 -0.842 6.018 113 HB THR 16 HB THR 16 -13.527 -2.599 8.227 114 HG1 THR 16 HG1 THR 16 -15.542 -1.671 7.299 115 1HG2 THR 16 3HG2 THR 16 -12.841 -0.302 9.192 116 2HG2 THR 16 1HG2 THR 16 -13.809 0.451 7.915 117 3HG2 THR 16 2HG2 THR 16 -14.596 -0.540 9.154 118 H CYS 17 H CYS 17 -11.190 0.681 6.804 119 HA CYS 17 HA CYS 17 -8.805 -0.137 8.250 120 1HB CYS 17 1HB CYS 17 -9.499 2.093 6.436 121 2HB CYS 17 2HB CYS 17 -8.425 2.502 7.786 122 H SER 18 H SER 18 -8.042 1.628 9.829 123 HA SER 18 HA SER 18 -10.028 1.772 11.905 124 1HB SER 18 1HB SER 18 -7.572 1.160 12.228 125 2HB SER 18 2HB SER 18 -7.260 2.900 12.100 126 HG SER 18 HG SER 18 -7.474 2.203 14.353 127 H GLY 19 H GLY 19 -8.776 4.174 13.029 128 1HA GLY 19 1HA GLY 19 -10.563 6.124 12.059 129 2HA GLY 19 2HA GLY 19 -9.262 6.400 13.231 130 H GLU 20 H GLU 20 -9.451 5.496 9.807 131 HA GLU 20 HA GLU 20 -7.807 7.796 9.097 132 1HB GLU 20 1HB GLU 20 -6.810 5.152 9.187 133 2HB GLU 20 2HB GLU 20 -7.082 5.516 7.474 134 1HG GLU 20 1HG GLU 20 -5.555 7.318 9.378 135 2HG GLU 20 2HG GLU 20 -4.793 6.140 8.295 136 H THR 21 H THR 21 -7.882 8.343 6.877 137 HA THR 21 HA THR 21 -10.209 7.333 5.422 138 HB THR 21 HB THR 21 -11.198 9.195 6.344 139 HG1 THR 21 HG1 THR 21 -11.159 10.806 4.560 140 1HG2 THR 21 3HG2 THR 21 -9.046 10.189 7.371 141 2HG2 THR 21 1HG2 THR 21 -8.617 10.766 5.752 142 3HG2 THR 21 2HG2 THR 21 -10.055 11.404 6.567 143 H ASN 22 H ASN 22 -7.162 7.237 5.282 144 HA ASN 22 HA ASN 22 -6.970 7.758 2.424 145 1HB ASN 22 1HB ASN 22 -4.843 8.607 4.417 146 2HB ASN 22 2HB ASN 22 -4.760 8.767 2.654 147 1HD2 ASN 22 2HD2 ASN 22 -7.315 11.102 4.853 148 2HD2 ASN 22 1HD2 ASN 22 -6.887 9.594 5.355 149 H CYS 23 H CYS 23 -5.488 6.399 1.404 150 HA CYS 23 HA CYS 23 -4.140 4.357 2.996 151 1HB CYS 23 1HB CYS 23 -5.625 3.675 0.463 152 2HB CYS 23 2HB CYS 23 -4.911 2.572 1.652 153 OH TYR 24 OH TYR 24 2.954 2.083 5.130 154 H TYR 24 H TYR 24 -2.240 3.680 2.187 155 HA TYR 24 HA TYR 24 -1.287 4.884 -0.306 156 1HB TYR 24 1HB TYR 24 0.624 5.716 0.822 157 2HB TYR 24 2HB TYR 24 -0.636 5.932 2.050 158 HD1 TYR 24 HD2 TYR 24 -0.786 4.349 3.960 159 HD2 TYR 24 HD1 TYR 24 2.441 4.209 1.166 160 HE1 TYR 24 HE2 TYR 24 0.571 2.951 5.586 161 HE2 TYR 24 HE1 TYR 24 3.787 2.814 2.804 162 HH TYR 24 HH TYR 24 2.374 1.917 6.031 163 H LYS 25 H LYS 25 0.597 3.813 -1.175 164 HA LYS 25 HA LYS 25 0.806 0.980 -0.428 165 1HB LYS 25 1HB LYS 25 1.347 0.704 -2.936 166 2HB LYS 25 2HB LYS 25 -0.321 0.749 -2.340 167 1HG LYS 25 1HG LYS 25 -0.733 2.831 -3.235 168 2HG LYS 25 2HG LYS 25 0.960 3.339 -3.109 169 1HD LYS 25 1HD LYS 25 1.053 2.970 -5.334 170 2HD LYS 25 2HD LYS 25 1.098 1.251 -4.907 171 1HE LYS 25 1HE LYS 25 -1.530 2.698 -5.224 172 2HE LYS 25 2HE LYS 25 -0.672 2.052 -6.633 173 1HZ LYS 25 1HZ LYS 25 -1.519 0.426 -4.353 174 2HZ LYS 25 2HZ LYS 25 -2.187 0.403 -5.687 175 3HZ LYS 25 3HZ LYS 25 -0.798 -0.117 -5.539 176 H LYS 26 H LYS 26 2.874 0.031 -0.965 177 HA LYS 26 HA LYS 26 5.133 1.778 -1.447 178 1HB LYS 26 1HB LYS 26 6.265 0.819 0.630 179 2HB LYS 26 2HB LYS 26 5.169 2.207 0.757 180 1HG LYS 26 1HG LYS 26 3.581 1.023 1.894 181 2HG LYS 26 2HG LYS 26 3.924 -0.479 1.019 182 1HD LYS 26 1HD LYS 26 4.596 -0.806 3.304 183 2HD LYS 26 2HD LYS 26 6.070 -0.653 2.333 184 1HE LYS 26 1HE LYS 26 6.111 1.799 2.962 185 2HE LYS 26 2HE LYS 26 4.797 1.457 4.101 186 1HZ LYS 26 3HZ LYS 26 6.329 -0.094 5.183 187 2HZ LYS 26 1HZ LYS 26 7.434 0.195 4.225 188 3HZ LYS 26 2HZ LYS 26 6.972 1.252 5.169 189 CH2 TRP 27 CH2 TRP 27 4.179 3.117 -5.746 190 H TRP 27 H TRP 27 6.718 0.705 -2.463 191 HA TRP 27 HA TRP 27 6.922 -2.190 -2.392 192 1HB TRP 27 1HB TRP 27 6.848 -2.458 -4.774 193 2HB TRP 27 2HB TRP 27 5.309 -1.879 -4.113 194 HD1 TRP 27 HD1 TRP 27 7.882 -1.013 -6.712 195 HE1 TRP 27 HE1 TRP 27 7.268 1.192 -7.852 196 HE3 TRP 27 HE3 TRP 27 4.218 0.469 -3.528 197 HZ2 TRP 27 HZ2 TRP 27 5.459 3.338 -7.492 198 HZ3 TRP 27 HZ3 TRP 27 3.080 2.635 -3.994 199 HH2 TRP 27 HH2 TRP 27 3.646 4.049 -5.897 200 CH2 TRP 28 CH2 TRP 28 9.411 -4.481 1.847 201 H TRP 28 H TRP 28 8.935 -2.870 -3.378 202 HA TRP 28 HA TRP 28 10.935 -0.956 -4.144 203 1HB TRP 28 1HB TRP 28 12.400 -1.102 -2.389 204 2HB TRP 28 2HB TRP 28 10.817 -0.795 -1.654 205 HD1 TRP 28 HD1 TRP 28 13.448 -3.600 -1.977 206 HE1 TRP 28 HE1 TRP 28 13.002 -5.345 -0.164 207 HE3 TRP 28 HE3 TRP 28 9.068 -1.731 -0.215 208 HZ2 TRP 28 HZ2 TRP 28 11.051 -5.912 1.807 209 HZ3 TRP 28 HZ3 TRP 28 7.959 -2.943 1.656 210 HH2 TRP 28 HH2 TRP 28 8.880 -4.966 2.661 211 H SER 29 H SER 29 12.577 -1.981 -5.214 212 HA SER 29 HA SER 29 12.148 -4.742 -5.954 213 1HB SER 29 1HB SER 29 14.063 -4.295 -7.545 214 2HB SER 29 2HB SER 29 12.620 -3.299 -7.799 215 HG SER 29 HG SER 29 14.612 -2.033 -7.977 216 H ASP 30 H ASP 30 13.814 -6.290 -5.922 217 HA ASP 30 HA ASP 30 15.783 -5.907 -3.773 218 1HB ASP 30 1HB ASP 30 15.105 -8.679 -4.294 219 2HB ASP 30 2HB ASP 30 15.115 -7.786 -2.763 220 H HIS 31 H HIS 31 17.134 -8.252 -4.105 221 HA HIS 31 HA HIS 31 19.015 -7.740 -6.048 222 1HB HIS 31 1HB HIS 31 18.520 -9.832 -4.164 223 2HB HIS 31 2HB HIS 31 19.170 -10.454 -5.691 224 HD2 HIS 31 HD2 HIS 31 21.772 -10.870 -4.864 225 HE1 HIS 31 HE1 HIS 31 22.563 -6.899 -3.584 226 NH1 ARG 32 NH2 ARG 32 15.201 -12.934 -11.600 227 NH2 ARG 32 NH1 ARG 32 15.820 -11.675 -13.446 228 H ARG 32 H ARG 32 16.635 -10.369 -6.129 229 HA ARG 32 HA ARG 32 16.295 -9.974 -9.004 230 1HB ARG 32 1HB ARG 32 17.243 -12.434 -7.600 231 2HB ARG 32 2HB ARG 32 16.092 -12.642 -8.932 232 1HG ARG 32 1HG ARG 32 17.909 -10.814 -9.951 233 2HG ARG 32 2HG ARG 32 18.930 -11.907 -9.002 234 1HD ARG 32 1HD ARG 32 18.880 -13.275 -10.796 235 2HD ARG 32 2HD ARG 32 17.207 -13.634 -10.335 236 HE ARG 32 HE ARG 32 18.046 -11.746 -12.410 237 1HH1 ARG 32 1HH2 ARG 32 15.437 -13.364 -10.787 238 2HH1 ARG 32 2HH2 ARG 32 14.304 -12.968 -11.912 239 1HH2 ARG 32 1HH1 ARG 32 16.486 -11.214 -13.942 240 2HH2 ARG 32 2HH1 ARG 32 14.926 -11.706 -13.764 241 H GLY 33 H GLY 33 14.533 -8.978 -7.316 242 1HA GLY 33 1HA GLY 33 12.115 -10.276 -7.994 243 2HA GLY 33 2HA GLY 33 12.483 -10.474 -6.273 244 H THR 34 H THR 34 10.371 -9.244 -6.277 245 HA THR 34 HA THR 34 10.893 -6.478 -5.662 246 HB THR 34 HB THR 34 9.064 -7.342 -7.947 247 HG1 THR 34 HG1 THR 34 10.494 -5.778 -9.082 248 1HG2 THR 34 1HG2 THR 34 9.533 -4.544 -6.751 249 2HG2 THR 34 2HG2 THR 34 8.498 -4.916 -8.140 250 3HG2 THR 34 3HG2 THR 34 8.030 -5.453 -6.517 251 H ILE 35 H ILE 35 10.044 -6.107 -3.835 252 HA ILE 35 HA ILE 35 7.805 -7.712 -2.877 253 HB ILE 35 HB ILE 35 9.757 -6.024 -1.370 254 1HG1 ILE 35 1HG1 ILE 35 10.590 -8.200 -2.278 255 2HG1 ILE 35 2HG1 ILE 35 10.530 -8.153 -0.507 256 1HG2 ILE 35 1HG2 ILE 35 7.403 -7.569 -0.345 257 2HG2 ILE 35 2HG2 ILE 35 8.689 -6.845 0.635 258 3HG2 ILE 35 3HG2 ILE 35 7.625 -5.811 -0.333 259 1HD1 ILE 35 1HD1 ILE 35 8.441 -9.419 -2.318 260 2HD1 ILE 35 2HD1 ILE 35 9.654 -10.293 -1.367 261 3HD1 ILE 35 3HD1 ILE 35 8.381 -9.372 -0.548 262 H ILE 36 H ILE 36 5.882 -6.815 -2.395 263 HA ILE 36 HA ILE 36 5.527 -3.920 -2.616 264 HB ILE 36 HB ILE 36 3.626 -5.954 -3.822 265 1HG1 ILE 36 1HG1 ILE 36 4.750 -4.357 -5.850 266 2HG1 ILE 36 2HG1 ILE 36 6.118 -4.903 -4.865 267 1HG2 ILE 36 3HG2 ILE 36 2.523 -3.967 -3.106 268 2HG2 ILE 36 1HG2 ILE 36 3.676 -2.963 -4.001 269 3HG2 ILE 36 2HG2 ILE 36 2.580 -4.046 -4.876 270 1HD1 ILE 36 3HD1 ILE 36 5.352 -7.240 -5.096 271 2HD1 ILE 36 1HD1 ILE 36 3.985 -6.695 -6.081 272 3HD1 ILE 36 2HD1 ILE 36 5.641 -6.503 -6.681 273 H GLU 37 H GLU 37 3.895 -3.038 -1.443 274 HA GLU 37 HA GLU 37 2.430 -4.675 0.439 275 1HB GLU 37 1HB GLU 37 4.881 -3.814 1.242 276 2HB GLU 37 2HB GLU 37 3.810 -2.540 1.853 277 1HG GLU 37 1HG GLU 37 3.133 -5.454 2.245 278 2HG GLU 37 2HG GLU 37 4.240 -4.619 3.350 279 NH1 ARG 38 NH2 ARG 38 1.781 -1.502 -3.480 280 NH2 ARG 38 NH1 ARG 38 0.906 -2.100 -5.543 281 H ARG 38 H ARG 38 0.750 -3.538 1.450 282 HA ARG 38 HA ARG 38 0.243 -0.779 0.713 283 1HB ARG 38 1HB ARG 38 -1.554 -3.097 -0.046 284 2HB ARG 38 2HB ARG 38 -2.121 -1.420 0.036 285 1HG ARG 38 1HG ARG 38 -1.515 -1.404 -2.160 286 2HG ARG 38 2HG ARG 38 0.094 -1.089 -1.487 287 1HD ARG 38 1HD ARG 38 0.765 -3.346 -1.744 288 2HD ARG 38 2HD ARG 38 -0.902 -3.905 -1.962 289 HE ARG 38 HE ARG 38 -0.683 -3.395 -4.192 290 1HH1 ARG 38 1HH2 ARG 38 1.754 -1.561 -2.532 291 2HH1 ARG 38 2HH2 ARG 38 2.443 -0.968 -3.904 292 1HH2 ARG 38 1HH1 ARG 38 0.268 -2.578 -6.059 293 2HH2 ARG 38 2HH1 ARG 38 1.565 -1.569 -5.975 294 H GLY 39 H GLY 39 -1.242 0.240 2.030 295 1HA GLY 39 1HA GLY 39 -2.783 -1.005 4.032 296 2HA GLY 39 2HA GLY 39 -1.264 -0.393 4.710 297 H CYS 40 H CYS 40 -3.121 0.807 5.867 298 HA CYS 40 HA CYS 40 -4.163 3.113 4.452 299 1HB CYS 40 1HB CYS 40 -4.877 1.697 6.853 300 2HB CYS 40 2HB CYS 40 -4.803 3.452 7.092 301 H GLY 41 H GLY 41 -3.935 5.206 5.785 302 1HA GLY 41 1HA GLY 41 -2.671 6.761 6.980 303 2HA GLY 41 2HA GLY 41 -1.397 5.539 7.134 304 H CYS 42 H CYS 42 -0.137 7.519 6.535 305 HA CYS 42 HA CYS 42 0.647 7.361 3.795 306 1HB CYS 42 1HB CYS 42 -1.205 8.966 3.614 307 2HB CYS 42 2HB CYS 42 -0.442 9.979 4.852 308 HA PRO 43 HA PRO 43 4.021 8.128 6.671 309 1HB PRO 43 1HB PRO 43 5.687 6.213 5.544 310 2HB PRO 43 2HB PRO 43 4.581 5.906 6.895 311 1HG PRO 43 1HG PRO 43 4.369 5.069 4.079 312 2HG PRO 43 2HG PRO 43 3.533 4.433 5.507 313 1HD PRO 43 2HD PRO 43 2.468 6.170 3.502 314 2HD PRO 43 1HD PRO 43 1.672 5.628 4.988 315 H LYS 44 H LYS 44 6.435 8.390 6.045 316 HA LYS 44 HA LYS 44 6.496 10.407 3.988 317 1HB LYS 44 1HB LYS 44 8.603 11.042 4.811 318 2HB LYS 44 2HB LYS 44 7.482 10.826 6.165 319 1HG LYS 44 1HG LYS 44 8.469 8.733 6.767 320 2HG LYS 44 2HG LYS 44 9.399 8.663 5.260 321 1HD LYS 44 1HD LYS 44 10.194 11.074 6.362 322 2HD LYS 44 2HD LYS 44 10.010 10.033 7.784 323 1HE LYS 44 1HE LYS 44 11.313 8.465 5.821 324 2HE LYS 44 2HE LYS 44 12.109 10.048 5.799 325 1HZ LYS 44 3HZ LYS 44 12.429 9.764 8.195 326 2HZ LYS 44 1HZ LYS 44 11.758 8.431 8.213 327 3HZ LYS 44 2HZ LYS 44 13.059 8.601 7.507 328 H VAL 45 H VAL 45 7.426 10.182 2.050 329 HA VAL 45 HA VAL 45 8.126 7.576 1.081 330 HB VAL 45 HB VAL 45 6.782 8.999 -0.288 331 1HG1 VAL 45 3HG1 VAL 45 7.657 11.195 0.425 332 2HG1 VAL 45 1HG1 VAL 45 9.199 10.839 -0.370 333 3HG1 VAL 45 2HG1 VAL 45 7.727 11.024 -1.336 334 1HG2 VAL 45 1HG2 VAL 45 8.151 7.346 -1.366 335 2HG2 VAL 45 2HG2 VAL 45 8.012 8.798 -2.372 336 3HG2 VAL 45 3HG2 VAL 45 9.501 8.490 -1.464 337 H LYS 46 H LYS 46 10.069 6.811 1.525 338 HA LYS 46 HA LYS 46 12.369 8.550 1.878 339 1HB LYS 46 1HB LYS 46 12.956 7.187 3.434 340 2HB LYS 46 2HB LYS 46 11.544 6.170 3.095 341 1HG LYS 46 1HG LYS 46 12.892 5.070 1.263 342 2HG LYS 46 2HG LYS 46 14.302 5.964 1.852 343 1HD LYS 46 1HD LYS 46 13.493 4.894 4.179 344 2HD LYS 46 2HD LYS 46 12.850 3.664 3.078 345 1HE LYS 46 1HE LYS 46 15.512 4.338 2.243 346 2HE LYS 46 2HE LYS 46 15.534 3.987 3.980 347 1HZ LYS 46 1HZ LYS 46 14.433 2.173 1.964 348 2HZ LYS 46 2HZ LYS 46 15.732 1.952 2.663 349 3HZ LYS 46 3HZ LYS 46 14.453 1.878 3.425 350 HA PRO 47 HA PRO 47 13.955 7.660 -2.067 351 1HB PRO 47 1HB PRO 47 16.675 7.965 -1.583 352 2HB PRO 47 2HB PRO 47 15.533 9.291 -1.862 353 1HG PRO 47 1HG PRO 47 16.813 8.423 0.645 354 2HG PRO 47 2HG PRO 47 16.028 9.965 0.260 355 1HD PRO 47 2HD PRO 47 14.966 7.818 1.821 356 2HD PRO 47 1HD PRO 47 14.139 9.309 1.338 357 H GLY 48 H GLY 48 14.640 5.958 -3.242 358 1HA GLY 48 1HA GLY 48 15.814 3.986 -3.743 359 2HA GLY 48 2HA GLY 48 16.132 3.790 -2.010 360 H VAL 49 H VAL 49 13.102 4.569 -1.860 361 HA VAL 49 HA VAL 49 12.010 1.905 -2.437 362 HB VAL 49 HB VAL 49 11.548 3.498 0.067 363 1HG1 VAL 49 3HG1 VAL 49 9.518 2.413 -0.627 364 2HG1 VAL 49 1HG1 VAL 49 10.374 0.873 -0.814 365 3HG1 VAL 49 2HG1 VAL 49 10.208 1.605 0.790 366 1HG2 VAL 49 1HG2 VAL 49 13.745 2.370 0.009 367 2HG2 VAL 49 2HG2 VAL 49 12.653 1.580 1.158 368 3HG2 VAL 49 3HG2 VAL 49 12.953 0.847 -0.426 369 H ASN 50 H ASN 50 9.894 1.889 -3.113 370 HA ASN 50 HA ASN 50 8.874 4.371 -4.204 371 1HB ASN 50 1HB ASN 50 7.569 1.663 -4.492 372 2HB ASN 50 2HB ASN 50 7.461 3.066 -5.570 373 1HD2 ASN 50 2HD2 ASN 50 9.869 1.895 -7.641 374 2HD2 ASN 50 1HD2 ASN 50 8.439 2.668 -7.389 375 H LEU 51 H LEU 51 7.119 5.369 -3.409 376 HA LEU 51 HA LEU 51 5.232 4.053 -1.652 377 1HB LEU 51 1HB LEU 51 7.174 4.804 -0.277 378 2HB LEU 51 2HB LEU 51 6.610 6.455 -0.589 379 HG LEU 51 HG LEU 51 4.834 4.347 0.631 380 1HD1 LEU 51 1HD1 LEU 51 6.663 6.202 2.110 381 2HD1 LEU 51 2HD1 LEU 51 5.379 5.210 2.821 382 3HD1 LEU 51 3HD1 LEU 51 6.760 4.435 2.027 383 1HD2 LEU 51 1HD2 LEU 51 3.724 6.349 -0.300 384 2HD2 LEU 51 2HD2 LEU 51 3.613 6.322 1.468 385 3HD2 LEU 51 3HD2 LEU 51 4.782 7.386 0.670 386 H ASN 52 H ASN 52 3.263 4.894 -1.927 387 HA ASN 52 HA ASN 52 2.920 7.541 -3.103 388 1HB ASN 52 1HB ASN 52 2.775 5.470 -4.770 389 2HB ASN 52 2HB ASN 52 1.149 5.333 -4.077 390 1HD2 ASN 52 2HD2 ASN 52 0.987 7.413 -7.076 391 2HD2 ASN 52 1HD2 ASN 52 1.440 5.876 -6.703 392 H CYS 53 H CYS 53 1.085 8.549 -2.398 393 HA CYS 53 HA CYS 53 -0.584 7.150 -0.421 394 1HB CYS 53 1HB CYS 53 0.334 9.991 -0.470 395 2HB CYS 53 2HB CYS 53 -1.018 9.413 0.521 396 H CYS 54 H CYS 54 -2.787 7.519 -0.542 397 HA CYS 54 HA CYS 54 -3.933 9.229 -2.555 398 1HB CYS 54 1HB CYS 54 -5.360 7.150 -3.290 399 2HB CYS 54 2HB CYS 54 -3.802 7.503 -4.058 400 NH1 ARG 55 NH2 ARG 55 -4.542 13.717 1.394 401 NH2 ARG 55 NH1 ARG 55 -5.608 13.634 3.451 402 H ARG 55 H ARG 55 -6.288 9.234 -2.383 403 HA ARG 55 HA ARG 55 -7.158 8.709 0.371 404 1HB ARG 55 1HB ARG 55 -8.296 10.872 -1.384 405 2HB ARG 55 2HB ARG 55 -8.457 10.665 0.368 406 1HG ARG 55 1HG ARG 55 -5.957 11.008 0.540 407 2HG ARG 55 2HG ARG 55 -5.967 11.447 -1.178 408 1HD ARG 55 1HD ARG 55 -6.321 13.558 -0.435 409 2HD ARG 55 2HD ARG 55 -7.990 13.023 -0.169 410 HE ARG 55 HE ARG 55 -7.540 12.913 2.119 411 1HH1 ARG 55 1HH2 ARG 55 -4.574 13.602 0.452 412 2HH1 ARG 55 2HH2 ARG 55 -3.737 14.002 1.810 413 1HH2 ARG 55 1HH1 ARG 55 -6.385 13.463 3.970 414 2HH2 ARG 55 2HH1 ARG 55 -4.807 13.919 3.876 415 H THR 56 H THR 56 -7.367 7.184 -2.252 416 HA THR 56 HA THR 56 -10.287 6.922 -2.420 417 HB THR 56 HB THR 56 -9.554 5.616 -4.568 418 HG1 THR 56 HG1 THR 56 -7.398 6.642 -5.337 419 1HG2 THR 56 1HG2 THR 56 -9.168 8.626 -4.437 420 2HG2 THR 56 2HG2 THR 56 -9.452 7.678 -5.907 421 3HG2 THR 56 3HG2 THR 56 -10.713 7.791 -4.668 422 H ASP 57 H ASP 57 -11.276 5.034 -2.169 423 HA ASP 57 HA ASP 57 -10.226 3.222 -0.306 424 1HB ASP 57 1HB ASP 57 -12.644 3.259 -2.076 425 2HB ASP 57 2HB ASP 57 -12.192 1.754 -1.257 426 NH1 ARG 58 NH2 ARG 58 -11.267 -4.930 -5.444 427 NH2 ARG 58 NH1 ARG 58 -9.791 -4.559 -7.194 428 H ARG 58 H ARG 58 -9.304 1.258 -0.576 429 HA ARG 58 HA ARG 58 -7.926 -0.303 -1.536 430 1HB ARG 58 1HB ARG 58 -10.314 -1.026 -2.172 431 2HB ARG 58 2HB ARG 58 -9.967 -0.333 -3.765 432 1HG ARG 58 1HG ARG 58 -8.078 -1.835 -4.058 433 2HG ARG 58 2HG ARG 58 -8.279 -2.460 -2.412 434 1HD ARG 58 1HD ARG 58 -9.711 -4.006 -3.182 435 2HD ARG 58 2HD ARG 58 -10.788 -2.719 -3.750 436 HE ARG 58 HE ARG 58 -8.691 -3.055 -5.593 437 1HH1 ARG 58 1HH2 ARG 58 -11.535 -4.753 -4.550 438 2HH1 ARG 58 2HH2 ARG 58 -11.768 -5.533 -5.981 439 1HH2 ARG 58 1HH1 ARG 58 -9.021 -4.128 -7.545 440 2HH2 ARG 58 2HH1 ARG 58 -10.287 -5.162 -7.735 441 H CYS 59 H CYS 59 -7.496 2.482 -2.244 442 HA CYS 59 HA CYS 59 -6.818 2.700 -4.999 443 1HB CYS 59 1HB CYS 59 -5.805 4.758 -4.499 444 2HB CYS 59 2HB CYS 59 -7.351 4.644 -3.642 445 H ASN 60 H ASN 60 -5.336 1.474 -2.142 446 HA ASN 60 HA ASN 60 -2.682 1.322 -3.314 447 1HB ASN 60 1HB ASN 60 -2.148 0.174 -1.093 448 2HB ASN 60 2HB ASN 60 -2.617 1.881 -0.996 449 1HD2 ASN 60 2HD2 ASN 60 -4.471 0.484 1.667 450 2HD2 ASN 60 1HD2 ASN 60 -2.967 1.014 1.261 451 H ASN 61 H ASN 61 -3.274 -0.138 -4.990 452 HA ASN 61 HA ASN 61 -3.596 -2.915 -4.107 453 1HB ASN 61 1HB ASN 61 -4.952 -3.418 -5.994 454 2HB ASN 61 2HB ASN 61 -5.624 -1.930 -5.306 455 1HD2 ASN 61 2HD2 ASN 61 -4.450 -2.127 -9.081 456 2HD2 ASN 61 1HD2 ASN 61 -4.670 -3.412 -8.076 No H/Q in entry = 456
Contact the webmaster for help, if required. Friday, July 5, 2024 2:38:19 AM GMT (wattos1)