NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
623455 | 5lme | 34028 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 1H VAL 1 246.771 6.969 16.051 2 H2 VAL 1 2H VAL 1 246.363 5.751 14.956 3 H3 VAL 1 3H VAL 1 246.229 7.375 14.504 4 HA VAL 1 HA VAL 1 248.578 7.679 14.620 5 HB VAL 1 HB VAL 1 250.093 5.799 15.013 6 HG11 VAL 1 1HG1 VAL 1 249.489 7.232 16.896 7 HG12 VAL 1 2HG1 VAL 1 249.779 5.575 17.424 8 HG13 VAL 1 3HG1 VAL 1 248.128 6.176 17.271 9 HG21 VAL 1 1HG2 VAL 1 248.608 3.984 14.293 10 HG22 VAL 1 2HG2 VAL 1 247.624 4.221 15.736 11 HG23 VAL 1 3HG2 VAL 1 249.291 3.671 15.888 12 H MET 2 H MET 2 246.243 6.082 13.016 13 HA MET 2 HA MET 2 247.961 5.050 10.893 14 HB2 MET 2 1HB MET 2 244.953 4.934 11.210 15 HB3 MET 2 2HB MET 2 245.865 4.184 9.906 16 HG2 MET 2 1HG MET 2 245.974 3.497 12.831 17 HG3 MET 2 2HG MET 2 245.317 2.514 11.524 18 HE1 MET 2 1HE MET 2 248.536 0.561 12.707 19 HE2 MET 2 2HE MET 2 246.788 0.481 12.498 20 HE3 MET 2 3HE MET 2 247.480 1.533 13.732 21 H LYS 3 H LYS 3 248.754 7.083 10.262 22 HA LYS 3 HA LYS 3 246.811 8.845 8.953 23 HB2 LYS 3 1HB LYS 3 248.419 10.628 9.109 24 HB3 LYS 3 2HB LYS 3 248.236 9.900 10.693 25 HG2 LYS 3 1HG LYS 3 250.478 9.114 8.866 26 HG3 LYS 3 2HG LYS 3 250.586 10.533 9.905 27 HD2 LYS 3 1HD LYS 3 250.034 9.010 11.840 28 HD3 LYS 3 2HD LYS 3 250.250 7.658 10.731 29 HE2 LYS 3 1HE LYS 3 252.276 8.107 12.040 30 HE3 LYS 3 2HE LYS 3 252.539 8.324 10.310 31 HZ1 LYS 3 1HZ LYS 3 253.527 10.093 11.683 32 HZ2 LYS 3 2HZ LYS 3 251.984 10.537 12.211 33 HZ3 LYS 3 3HZ LYS 3 252.396 10.684 10.577 34 H LYS 4 H LYS 4 248.035 10.106 7.084 35 HA LYS 4 HA LYS 4 248.352 9.907 4.852 36 HB2 LYS 4 1HB LYS 4 250.582 9.249 4.203 37 HB3 LYS 4 2HB LYS 4 250.638 10.166 5.697 38 HG2 LYS 4 1HG LYS 4 250.986 8.137 6.969 39 HG3 LYS 4 2HG LYS 4 250.831 7.167 5.501 40 HD2 LYS 4 1HD LYS 4 252.792 8.321 4.559 41 HD3 LYS 4 2HD LYS 4 252.958 9.234 6.058 42 HE2 LYS 4 1HE LYS 4 253.124 6.232 5.812 43 HE3 LYS 4 2HE LYS 4 254.502 7.320 5.944 44 HZ1 LYS 4 1HZ LYS 4 253.663 8.020 8.117 45 HZ2 LYS 4 2HZ LYS 4 253.989 6.363 8.075 46 HZ3 LYS 4 3HZ LYS 4 252.393 6.910 7.993 47 H ARG 5 H ARG 5 246.619 7.919 5.826 48 HA ARG 5 HA ARG 5 247.326 5.494 4.383 49 HB2 ARG 5 1HB ARG 5 245.282 4.533 5.349 50 HB3 ARG 5 2HB ARG 5 246.343 5.195 6.582 51 HG2 ARG 5 1HG ARG 5 244.937 7.138 6.810 52 HG3 ARG 5 2HG ARG 5 243.913 6.586 5.483 53 HD2 ARG 5 1HD ARG 5 243.272 4.626 6.768 54 HD3 ARG 5 2HD ARG 5 244.342 5.116 8.081 55 HE ARG 5 HE ARG 5 242.719 7.244 7.851 56 HH11 ARG 5 1HH1 ARG 5 242.048 3.820 8.049 57 HH12 ARG 5 2HH1 ARG 5 240.540 4.026 8.877 58 HH21 ARG 5 1HH2 ARG 5 240.728 7.533 8.948 59 HH22 ARG 5 2HH2 ARG 5 239.783 6.147 9.386 60 H THR 6 H THR 6 246.620 8.144 3.156 61 HA THR 6 HA THR 6 244.420 7.309 1.420 62 HB THR 6 HB THR 6 246.024 9.862 1.227 63 HG1 THR 6 HG1 THR 6 243.640 9.407 2.737 64 HG21 THR 6 1HG2 THR 6 243.994 10.730 0.170 65 HG22 THR 6 2HG2 THR 6 243.209 9.166 0.382 66 HG23 THR 6 3HG2 THR 6 244.602 9.316 -0.692 67 H TYR 7 H TYR 7 247.728 7.113 1.719 68 HA TYR 7 HA TYR 7 248.135 6.808 -1.173 69 HB2 TYR 7 1HB TYR 7 250.073 7.772 0.940 70 HB3 TYR 7 2HB TYR 7 250.521 7.412 -0.728 71 HD1 TYR 7 HD1 TYR 7 249.668 8.800 -2.565 72 HD2 TYR 7 HD2 TYR 7 248.898 9.782 1.499 73 HE1 TYR 7 HE1 TYR 7 249.020 11.064 -3.241 74 HE2 TYR 7 HE2 TYR 7 248.246 12.054 0.833 75 HH TYR 7 HH TYR 7 248.397 13.581 -0.901 76 H CYS 8 H CYS 8 249.240 5.093 -1.889 77 HA CYS 8 HA CYS 8 248.888 2.667 -0.636 78 HB2 CYS 8 1HB CYS 8 249.173 2.734 -2.973 79 HB3 CYS 8 2HB CYS 8 250.709 3.569 -2.848 80 H THR 9 H THR 9 249.797 1.721 0.997 81 HA THR 9 HA THR 9 251.948 2.725 2.477 82 HB THR 9 HB THR 9 250.896 -0.109 2.473 83 HG1 THR 9 HG1 THR 9 249.895 2.283 3.634 84 HG21 THR 9 1HG2 THR 9 252.180 1.542 4.650 85 HG22 THR 9 2HG2 THR 9 252.922 0.187 3.799 86 HG23 THR 9 3HG2 THR 9 251.526 -0.085 4.841 87 H TYR 10 H TYR 10 251.855 0.570 -0.235 88 HA TYR 10 HA TYR 10 254.541 -0.416 0.158 89 HB2 TYR 10 1HB TYR 10 252.416 -0.826 -1.911 90 HB3 TYR 10 2HB TYR 10 254.079 -1.272 -2.277 91 HD1 TYR 10 HD1 TYR 10 254.467 -3.507 -2.072 92 HD2 TYR 10 HD2 TYR 10 251.813 -1.656 0.684 93 HE1 TYR 10 HE1 TYR 10 254.181 -5.657 -0.915 94 HE2 TYR 10 HE2 TYR 10 251.516 -3.796 1.850 95 HH TYR 10 HH TYR 10 253.547 -6.457 1.330 96 H CYS 11 H CYS 11 253.021 2.254 -1.340 97 HA CYS 11 HA CYS 11 255.296 2.845 -3.064 98 HB2 CYS 11 1HB CYS 11 252.572 4.038 -2.693 99 HB3 CYS 11 2HB CYS 11 253.838 4.989 -3.450 100 HA PRO 12 HA PRO 12 257.328 5.229 0.127 101 HB2 PRO 12 1HB PRO 12 258.557 6.590 -2.203 102 HB3 PRO 12 2HB PRO 12 259.332 5.783 -0.839 103 HG2 PRO 12 1HG PRO 12 259.287 4.669 -3.272 104 HG3 PRO 12 2HG PRO 12 259.154 3.690 -1.798 105 HD2 PRO 12 1HD PRO 12 257.033 4.507 -3.733 106 HD3 PRO 12 2HD PRO 12 257.226 2.985 -2.838 107 H SER 13 H SER 13 257.066 7.240 1.017 108 HA SER 13 HA SER 13 254.762 8.663 0.263 109 HB2 SER 13 1HB SER 13 256.951 9.453 2.194 110 HB3 SER 13 2HB SER 13 255.348 10.183 2.102 111 HG SER 13 HG SER 13 254.667 7.822 2.367 112 H LYS 14 H LYS 14 258.035 9.016 -0.748 113 HA LYS 14 HA LYS 14 257.727 11.730 -1.651 114 HB2 LYS 14 1HB LYS 14 259.804 9.637 -2.309 115 HB3 LYS 14 2HB LYS 14 259.863 11.302 -2.867 116 HG2 LYS 14 1HG LYS 14 259.956 10.384 -0.005 117 HG3 LYS 14 2HG LYS 14 261.309 10.996 -0.956 118 HD2 LYS 14 1HD LYS 14 260.073 13.141 -1.214 119 HD3 LYS 14 2HD LYS 14 258.841 12.512 -0.118 120 HE2 LYS 14 1HE LYS 14 260.353 13.910 1.123 121 HE3 LYS 14 2HE LYS 14 260.584 12.234 1.614 122 HZ1 LYS 14 1HZ LYS 14 262.300 13.726 -0.294 123 HZ2 LYS 14 2HZ LYS 14 262.523 12.121 0.180 124 HZ3 LYS 14 3HZ LYS 14 262.692 13.364 1.310 125 H ILE 15 H ILE 15 256.896 8.631 -2.829 126 HA ILE 15 HA ILE 15 256.722 9.436 -5.609 127 HB ILE 15 HB ILE 15 255.717 6.927 -4.250 128 HG12 ILE 15 1HG1 ILE 15 258.133 7.100 -4.050 129 HG13 ILE 15 2HG1 ILE 15 257.723 5.850 -5.218 130 HG21 ILE 15 1HG2 ILE 15 254.556 7.356 -6.344 131 HG22 ILE 15 2HG2 ILE 15 255.631 5.965 -6.496 132 HG23 ILE 15 3HG2 ILE 15 256.102 7.520 -7.180 133 HD11 ILE 15 1HD1 ILE 15 258.204 7.425 -7.035 134 HD12 ILE 15 2HD1 ILE 15 259.598 7.149 -5.991 135 HD13 ILE 15 3HD1 ILE 15 258.665 8.637 -5.840 136 H ARG 16 H ARG 16 254.621 8.964 -2.837 137 HA ARG 16 HA ARG 16 252.429 9.431 -2.442 138 HB2 ARG 16 1HB ARG 16 253.199 11.636 -4.331 139 HB3 ARG 16 2HB ARG 16 251.582 11.538 -3.647 140 HG2 ARG 16 1HG ARG 16 252.590 11.585 -1.386 141 HG3 ARG 16 2HG ARG 16 254.169 11.832 -2.139 142 HD2 ARG 16 1HD ARG 16 253.213 13.953 -1.428 143 HD3 ARG 16 2HD ARG 16 253.342 13.884 -3.184 144 HE ARG 16 HE ARG 16 250.787 13.013 -2.471 145 HH11 ARG 16 1HH1 ARG 16 252.693 15.937 -2.402 146 HH12 ARG 16 2HH1 ARG 16 251.321 16.991 -2.521 147 HH21 ARG 16 1HH2 ARG 16 248.965 14.389 -2.637 148 HH22 ARG 16 2HH2 ARG 16 249.197 16.109 -2.654 149 H ARG 17 H ARG 17 252.149 7.319 -3.691 150 HA ARG 17 HA ARG 17 250.473 7.734 -6.054 151 HB2 ARG 17 1HB ARG 17 252.175 5.947 -6.187 152 HB3 ARG 17 2HB ARG 17 251.469 5.172 -4.776 153 HG2 ARG 17 1HG ARG 17 250.605 3.937 -6.522 154 HG3 ARG 17 2HG ARG 17 249.308 5.085 -6.184 155 HD2 ARG 17 1HD ARG 17 249.499 5.103 -8.514 156 HD3 ARG 17 2HD ARG 17 250.380 6.538 -8.002 157 HE ARG 17 HE ARG 17 251.722 3.996 -8.691 158 HH11 ARG 17 1HH1 ARG 17 251.518 7.494 -8.860 159 HH12 ARG 17 2HH1 ARG 17 252.938 7.649 -9.841 160 HH21 ARG 17 1HH2 ARG 17 253.560 4.197 -9.988 161 HH22 ARG 17 2HH2 ARG 17 254.101 5.770 -10.494 162 H LYS 18 H LYS 18 248.357 7.970 -5.739 163 HA LYS 18 HA LYS 18 247.082 7.708 -3.258 164 HB2 LYS 18 1HB LYS 18 245.860 7.653 -6.028 165 HB3 LYS 18 2HB LYS 18 244.964 7.880 -4.534 166 HG2 LYS 18 1HG LYS 18 247.156 9.744 -5.394 167 HG3 LYS 18 2HG LYS 18 245.478 9.951 -5.894 168 HD2 LYS 18 1HD LYS 18 244.858 9.968 -3.463 169 HD3 LYS 18 2HD LYS 18 246.584 10.001 -3.091 170 HE2 LYS 18 1HE LYS 18 246.835 12.085 -4.312 171 HE3 LYS 18 2HE LYS 18 245.139 12.037 -4.784 172 HZ1 LYS 18 1HZ LYS 18 246.218 12.388 -2.041 173 HZ2 LYS 18 2HZ LYS 18 244.581 12.153 -2.389 174 HZ3 LYS 18 3HZ LYS 18 245.376 13.527 -2.966 175 H ALA 19 H ALA 19 246.052 6.066 -2.268 176 HA ALA 19 HA ALA 19 246.366 3.414 -3.436 177 HB1 ALA 19 1HB ALA 19 247.085 3.825 -1.117 178 HB2 ALA 19 2HB ALA 19 245.853 2.569 -1.239 179 HB3 ALA 19 3HB ALA 19 245.414 4.187 -0.686 180 H ASN 20 H ASN 20 244.785 2.953 -4.832 181 HA ASN 20 HA ASN 20 242.063 3.792 -4.356 182 HB2 ASN 20 1HB ASN 20 243.225 2.049 -6.543 183 HB3 ASN 20 2HB ASN 20 241.568 2.641 -6.490 184 HD21 ASN 20 1HD2 ASN 20 243.646 3.088 -8.478 185 HD22 ASN 20 2HD2 ASN 20 243.844 4.802 -8.583 186 H ALA 21 H ALA 21 244.001 1.141 -3.542 187 HA ALA 21 HA ALA 21 241.613 -0.456 -2.908 188 HB1 ALA 21 1HB ALA 21 244.314 -1.482 -3.772 189 HB2 ALA 21 2HB ALA 21 242.835 -1.507 -4.731 190 HB3 ALA 21 3HB ALA 21 242.952 -2.478 -3.266 191 H SER 22 H SER 22 242.033 -2.016 -1.093 192 HA SER 22 HA SER 22 244.113 -1.190 0.759 193 HB2 SER 22 1HB SER 22 241.186 -1.130 1.525 194 HB3 SER 22 2HB SER 22 242.552 -0.791 2.591 195 HG SER 22 HG SER 22 242.785 0.746 0.435 196 H CYS 23 H CYS 23 244.886 -2.852 1.881 197 HA CYS 23 HA CYS 23 243.844 -5.482 1.369 198 HB2 CYS 23 1HB CYS 23 246.262 -4.993 1.463 199 HB3 CYS 23 2HB CYS 23 246.096 -4.556 3.157 200 H LYS 24 H LYS 24 242.444 -6.558 2.611 201 HA LYS 24 HA LYS 24 241.074 -5.046 4.596 202 HB2 LYS 24 1HB LYS 24 240.659 -7.943 3.857 203 HB3 LYS 24 2HB LYS 24 239.513 -6.891 4.674 204 HG2 LYS 24 1HG LYS 24 240.475 -6.624 1.832 205 HG3 LYS 24 2HG LYS 24 238.885 -7.170 2.359 206 HD2 LYS 24 1HD LYS 24 238.460 -4.975 3.347 207 HD3 LYS 24 2HD LYS 24 240.057 -4.431 2.835 208 HE2 LYS 24 1HE LYS 24 237.829 -5.326 1.010 209 HE3 LYS 24 2HE LYS 24 238.304 -3.656 1.310 210 HZ1 LYS 24 1HZ LYS 24 239.944 -5.759 0.004 211 HZ2 LYS 24 2HZ LYS 24 240.520 -4.223 0.412 212 HZ3 LYS 24 3HZ LYS 24 239.282 -4.386 -0.728 213 H LYS 25 H LYS 25 243.279 -7.789 4.724 214 HA LYS 25 HA LYS 25 242.629 -8.557 7.368 215 HB2 LYS 25 1HB LYS 25 243.719 -10.031 5.683 216 HB3 LYS 25 2HB LYS 25 245.198 -9.101 5.879 217 HG2 LYS 25 1HG LYS 25 245.384 -9.783 8.177 218 HG3 LYS 25 2HG LYS 25 243.819 -10.595 8.101 219 HD2 LYS 25 1HD LYS 25 244.727 -12.120 6.388 220 HD3 LYS 25 2HD LYS 25 246.298 -11.333 6.548 221 HE2 LYS 25 1HE LYS 25 244.833 -12.711 8.795 222 HE3 LYS 25 2HE LYS 25 246.109 -13.451 7.830 223 HZ1 LYS 25 1HZ LYS 25 246.924 -12.553 9.939 224 HZ2 LYS 25 2HZ LYS 25 246.435 -11.001 9.477 225 HZ3 LYS 25 3HZ LYS 25 247.649 -11.797 8.612 226 H CYS 26 H CYS 26 245.017 -6.288 6.095 227 HA CYS 26 HA CYS 26 245.900 -5.824 8.866 228 HB2 CYS 26 1HB CYS 26 248.001 -4.977 7.951 229 HB3 CYS 26 2HB CYS 26 247.690 -6.614 7.389 230 H LYS 27 H LYS 27 244.199 -4.493 6.288 231 HA LYS 27 HA LYS 27 243.136 -2.539 5.964 232 HB2 LYS 27 1HB LYS 27 244.107 -1.870 8.744 233 HB3 LYS 27 2HB LYS 27 243.000 -0.871 7.815 234 HG2 LYS 27 1HG LYS 27 242.495 -3.698 8.730 235 HG3 LYS 27 2HG LYS 27 241.806 -2.236 9.434 236 HD2 LYS 27 1HD LYS 27 241.362 -3.200 6.605 237 HD3 LYS 27 2HD LYS 27 240.229 -3.389 7.940 238 HE2 LYS 27 1HE LYS 27 241.214 -0.740 6.889 239 HE3 LYS 27 2HE LYS 27 239.689 -1.493 6.435 240 HZ1 LYS 27 1HZ LYS 27 239.022 -1.410 8.772 241 HZ2 LYS 27 2HZ LYS 27 239.337 0.130 8.156 242 HZ3 LYS 27 3HZ LYS 27 240.467 -0.623 9.166 243 H LYS 28 H LYS 28 246.152 -2.954 5.545 244 HA LYS 28 HA LYS 28 247.056 -0.215 5.356 245 HB2 LYS 28 1HB LYS 28 248.248 -2.876 4.719 246 HB3 LYS 28 2HB LYS 28 248.884 -1.466 3.884 247 HG2 LYS 28 1HG LYS 28 250.224 -1.920 5.819 248 HG3 LYS 28 2HG LYS 28 249.338 -0.416 6.069 249 HD2 LYS 28 1HD LYS 28 247.669 -1.661 7.396 250 HD3 LYS 28 2HD LYS 28 248.636 -3.123 7.194 251 HE2 LYS 28 1HE LYS 28 250.520 -2.004 8.310 252 HE3 LYS 28 2HE LYS 28 249.513 -0.577 8.548 253 HZ1 LYS 28 1HZ LYS 28 249.005 -3.275 9.678 254 HZ2 LYS 28 2HZ LYS 28 248.007 -1.925 9.881 255 HZ3 LYS 28 3HZ LYS 28 249.567 -1.926 10.531 256 H VAL 29 H VAL 29 246.897 1.070 3.660 257 HA VAL 29 HA VAL 29 245.205 0.220 1.484 258 HB VAL 29 HB VAL 29 245.304 2.587 0.772 259 HG11 VAL 29 1HG1 VAL 29 243.586 1.855 2.328 260 HG12 VAL 29 2HG1 VAL 29 244.091 3.505 2.694 261 HG13 VAL 29 3HG1 VAL 29 244.665 2.165 3.688 262 HG21 VAL 29 1HG2 VAL 29 247.042 2.958 3.210 263 HG22 VAL 29 2HG2 VAL 29 246.394 4.246 2.195 264 HG23 VAL 29 3HG2 VAL 29 247.568 3.109 1.533 265 H ILE 30 H ILE 30 245.790 0.071 -0.667 266 HA ILE 30 HA ILE 30 248.651 0.300 -1.270 267 HB ILE 30 HB ILE 30 248.542 -1.934 -2.434 268 HG12 ILE 30 1HG1 ILE 30 246.076 -2.277 -0.710 269 HG13 ILE 30 2HG1 ILE 30 246.068 -2.103 -2.460 270 HG21 ILE 30 1HG2 ILE 30 248.954 -3.221 -0.387 271 HG22 ILE 30 2HG2 ILE 30 248.245 -1.919 0.567 272 HG23 ILE 30 3HG2 ILE 30 249.734 -1.640 -0.337 273 HD11 ILE 30 1HD1 ILE 30 247.269 -4.184 -2.696 274 HD12 ILE 30 2HD1 ILE 30 245.805 -4.423 -1.743 275 HD13 ILE 30 3HD1 ILE 30 247.376 -4.345 -0.945 276 H CYS 31 H CYS 31 249.139 0.294 -3.519 277 HA CYS 31 HA CYS 31 246.922 1.183 -5.194 278 HB2 CYS 31 1HB CYS 31 248.552 2.054 -6.697 279 HB3 CYS 31 2HB CYS 31 249.158 2.434 -5.092 280 H ARG 32 H ARG 32 246.318 0.074 -7.049 281 HA ARG 32 HA ARG 32 246.681 -2.749 -6.991 282 HB2 ARG 32 1HB ARG 32 245.442 -0.961 -9.087 283 HB3 ARG 32 2HB ARG 32 245.351 -2.717 -9.093 284 HG2 ARG 32 1HG ARG 32 244.124 -2.692 -7.010 285 HG3 ARG 32 2HG ARG 32 244.273 -0.936 -6.919 286 HD2 ARG 32 1HD ARG 32 242.075 -1.606 -7.746 287 HD3 ARG 32 2HD ARG 32 242.975 -0.700 -8.958 288 HE ARG 32 HE ARG 32 243.190 -3.577 -9.163 289 HH11 ARG 32 1HH1 ARG 32 241.467 -0.704 -10.160 290 HH12 ARG 32 2HH1 ARG 32 240.824 -1.434 -11.596 291 HH21 ARG 32 1HH2 ARG 32 242.335 -4.550 -11.052 292 HH22 ARG 32 2HH2 ARG 32 241.314 -3.619 -12.101 293 H GLU 33 H GLU 33 248.465 -0.228 -8.246 294 HA GLU 33 HA GLU 33 249.809 -1.551 -10.377 295 HB2 GLU 33 1HB GLU 33 249.666 0.915 -10.083 296 HB3 GLU 33 2HB GLU 33 250.672 0.780 -8.652 297 HG2 GLU 33 1HG GLU 33 252.508 -0.057 -10.027 298 HG3 GLU 33 2HG GLU 33 251.491 0.096 -11.462 299 H HIS 34 H HIS 34 249.954 -1.635 -6.959 300 HA HIS 34 HA HIS 34 252.522 -3.059 -7.000 301 HB2 HIS 34 1HB HIS 34 251.140 -1.398 -4.990 302 HB3 HIS 34 2HB HIS 34 251.888 -2.858 -4.352 303 HD2 HIS 34 HD2 HIS 34 254.564 -2.761 -6.272 304 HE1 HIS 34 HE1 HIS 34 255.189 0.901 -4.258 305 HE2 HIS 34 HE2 HIS 34 256.312 -1.038 -5.446 306 H ASN 35 H ASN 35 249.300 -3.278 -5.503 307 HA ASN 35 HA ASN 35 249.374 -6.174 -5.819 308 HB2 ASN 35 1HB ASN 35 249.397 -4.734 -3.209 309 HB3 ASN 35 2HB ASN 35 248.399 -6.177 -3.340 310 HD21 ASN 35 1HD2 ASN 35 250.108 -7.585 -5.148 311 HD22 ASN 35 2HD2 ASN 35 251.517 -8.049 -4.264 312 H ILE 36 H ILE 36 247.397 -7.090 -6.073 313 HA ILE 36 HA ILE 36 245.210 -5.245 -6.542 314 HB ILE 36 HB ILE 36 245.343 -8.230 -7.002 315 HG12 ILE 36 1HG1 ILE 36 246.962 -7.031 -8.389 316 HG13 ILE 36 2HG1 ILE 36 245.638 -7.634 -9.377 317 HG21 ILE 36 1HG2 ILE 36 243.055 -7.432 -6.745 318 HG22 ILE 36 2HG2 ILE 36 243.372 -7.895 -8.417 319 HG23 ILE 36 3HG2 ILE 36 243.338 -6.191 -7.965 320 HD11 ILE 36 1HD1 ILE 36 244.636 -5.389 -9.354 321 HD12 ILE 36 2HD1 ILE 36 246.246 -5.413 -10.070 322 HD13 ILE 36 3HD1 ILE 36 246.020 -4.805 -8.430 323 H ASP 37 H ASP 37 244.607 -4.632 -4.506 324 HA ASP 37 HA ASP 37 243.083 -4.604 -2.825 325 HB2 ASP 37 1HB ASP 37 241.719 -6.071 -4.337 326 HB3 ASP 37 2HB ASP 37 242.400 -7.463 -3.506 327 H MET 38 H MET 38 244.980 -7.594 -2.943 328 HA MET 38 HA MET 38 245.133 -7.513 -0.002 329 HB2 MET 38 1HB MET 38 244.273 -9.622 -0.863 330 HB3 MET 38 2HB MET 38 245.658 -9.781 -1.936 331 HG2 MET 38 1HG MET 38 247.135 -9.962 0.014 332 HG3 MET 38 2HG MET 38 245.732 -9.843 1.074 333 HE1 MET 38 1HE MET 38 246.409 -13.354 -1.848 334 HE2 MET 38 2HE MET 38 247.488 -11.965 -1.724 335 HE3 MET 38 3HE MET 38 245.862 -11.762 -2.371 336 H CYS 39 H CYS 39 247.045 -7.116 0.971 337 HA CYS 39 HA CYS 39 249.275 -6.391 -0.720 338 HB2 CYS 39 1HB CYS 39 250.138 -5.252 1.085 339 HB3 CYS 39 2HB CYS 39 248.438 -5.255 1.531 340 H GLN 40 H GLN 40 251.395 -7.243 -0.448 341 HA GLN 40 HA GLN 40 251.399 -10.055 -0.639 342 HB2 GLN 40 1HB GLN 40 252.922 -8.504 -1.865 343 HB3 GLN 40 2HB GLN 40 253.775 -8.210 -0.356 344 HG2 GLN 40 1HG GLN 40 254.273 -10.638 -0.240 345 HG3 GLN 40 2HG GLN 40 253.552 -10.814 -1.837 346 HE21 GLN 40 1HE2 GLN 40 254.608 -8.204 -2.716 347 HE22 GLN 40 2HE2 GLN 40 256.289 -8.469 -3.011 348 H SER 41 H SER 41 251.669 -8.004 2.065 349 HA SER 41 HA SER 41 253.282 -9.843 3.619 350 HB2 SER 41 1HB SER 41 251.942 -7.246 4.393 351 HB3 SER 41 2HB SER 41 253.057 -8.161 5.410 352 HG SER 41 HG SER 41 254.355 -7.900 3.210 353 H CYS 42 H CYS 42 250.169 -9.992 2.706 354 HA CYS 42 HA CYS 42 249.410 -11.291 5.238 355 HB2 CYS 42 1HB CYS 42 247.629 -9.792 3.317 356 HB3 CYS 42 2HB CYS 42 247.020 -10.834 4.597 357 H PHE 43 H PHE 43 248.234 -13.200 5.107 358 HA PHE 43 HA PHE 43 247.787 -15.284 4.349 359 HB2 PHE 43 1HB PHE 43 247.141 -13.769 1.812 360 HB3 PHE 43 2HB PHE 43 246.732 -15.456 2.097 361 HD1 PHE 43 HD1 PHE 43 245.028 -16.058 3.746 362 HD2 PHE 43 HD2 PHE 43 245.900 -11.993 2.839 363 HE1 PHE 43 HE1 PHE 43 242.919 -15.370 4.809 364 HE2 PHE 43 HE2 PHE 43 243.794 -11.300 3.902 365 HZ PHE 43 HZ PHE 43 242.301 -12.988 4.889 Start of MODEL 2 1 H1 VAL 1 1H VAL 1 247.835 16.834 7.397 2 H2 VAL 1 2H VAL 1 248.806 17.000 8.772 3 H3 VAL 1 3H VAL 1 247.190 17.494 8.814 4 HA VAL 1 HA VAL 1 247.535 15.396 9.958 5 HB VAL 1 HB VAL 1 245.343 15.865 8.991 6 HG11 VAL 1 1HG1 VAL 1 244.708 15.025 6.780 7 HG12 VAL 1 2HG1 VAL 1 246.375 14.527 6.494 8 HG13 VAL 1 3HG1 VAL 1 245.986 16.237 6.675 9 HG21 VAL 1 1HG2 VAL 1 245.632 13.724 10.090 10 HG22 VAL 1 2HG2 VAL 1 246.195 13.001 8.584 11 HG23 VAL 1 3HG2 VAL 1 244.529 13.559 8.724 12 H MET 2 H MET 2 248.667 13.561 10.083 13 HA MET 2 HA MET 2 250.020 12.617 7.654 14 HB2 MET 2 1HB MET 2 250.589 12.138 10.581 15 HB3 MET 2 2HB MET 2 251.401 11.264 9.292 16 HG2 MET 2 1HG MET 2 251.469 14.241 9.721 17 HG3 MET 2 2HG MET 2 252.757 13.103 10.112 18 HE1 MET 2 1HE MET 2 254.151 11.762 8.314 19 HE2 MET 2 2HE MET 2 253.881 11.870 6.574 20 HE3 MET 2 3HE MET 2 252.672 11.110 7.608 21 H LYS 3 H LYS 3 247.723 11.872 7.173 22 HA LYS 3 HA LYS 3 246.803 9.531 8.558 23 HB2 LYS 3 1HB LYS 3 245.345 11.226 7.318 24 HB3 LYS 3 2HB LYS 3 245.911 10.473 5.833 25 HG2 LYS 3 1HG LYS 3 243.817 9.510 6.331 26 HG3 LYS 3 2HG LYS 3 245.036 8.296 6.726 27 HD2 LYS 3 1HD LYS 3 244.889 8.923 9.088 28 HD3 LYS 3 2HD LYS 3 243.669 10.133 8.692 29 HE2 LYS 3 1HE LYS 3 242.204 8.350 7.845 30 HE3 LYS 3 2HE LYS 3 243.420 7.154 8.285 31 HZ1 LYS 3 1HZ LYS 3 241.996 8.958 10.163 32 HZ2 LYS 3 2HZ LYS 3 243.183 7.840 10.600 33 HZ3 LYS 3 3HZ LYS 3 241.711 7.304 9.968 34 H LYS 4 H LYS 4 248.071 7.810 8.438 35 HA LYS 4 HA LYS 4 249.867 7.329 6.306 36 HB2 LYS 4 1HB LYS 4 250.204 6.630 8.684 37 HB3 LYS 4 2HB LYS 4 248.967 5.404 8.451 38 HG2 LYS 4 1HG LYS 4 251.168 4.427 8.284 39 HG3 LYS 4 2HG LYS 4 250.347 4.351 6.724 40 HD2 LYS 4 1HD LYS 4 251.635 6.167 5.870 41 HD3 LYS 4 2HD LYS 4 252.297 6.526 7.465 42 HE2 LYS 4 1HE LYS 4 253.938 5.371 6.085 43 HE3 LYS 4 2HE LYS 4 253.469 4.378 7.462 44 HZ1 LYS 4 1HZ LYS 4 253.571 3.049 5.482 45 HZ2 LYS 4 2HZ LYS 4 252.509 4.078 4.671 46 HZ3 LYS 4 3HZ LYS 4 251.962 3.163 5.983 47 H ARG 5 H ARG 5 246.679 6.119 7.109 48 HA ARG 5 HA ARG 5 246.814 4.078 5.060 49 HB2 ARG 5 1HB ARG 5 244.731 4.814 7.094 50 HB3 ARG 5 2HB ARG 5 244.417 3.636 5.826 51 HG2 ARG 5 1HG ARG 5 246.255 2.261 6.618 52 HG3 ARG 5 2HG ARG 5 246.628 3.456 7.860 53 HD2 ARG 5 1HD ARG 5 243.998 2.006 7.630 54 HD3 ARG 5 2HD ARG 5 245.320 1.498 8.677 55 HE ARG 5 HE ARG 5 243.656 3.890 8.998 56 HH11 ARG 5 1HH1 ARG 5 246.188 1.789 10.198 57 HH12 ARG 5 2HH1 ARG 5 246.162 2.463 11.795 58 HH21 ARG 5 1HH2 ARG 5 243.608 4.770 11.106 59 HH22 ARG 5 2HH2 ARG 5 244.692 4.154 12.314 60 H THR 6 H THR 6 246.819 6.986 4.379 61 HA THR 6 HA THR 6 244.566 6.896 2.487 62 HB THR 6 HB THR 6 246.293 9.237 3.328 63 HG1 THR 6 HG1 THR 6 244.232 9.984 4.128 64 HG21 THR 6 1HG2 THR 6 245.696 9.420 0.957 65 HG22 THR 6 2HG2 THR 6 244.836 10.618 1.925 66 HG23 THR 6 3HG2 THR 6 243.999 9.170 1.362 67 H TYR 7 H TYR 7 248.002 6.922 2.848 68 HA TYR 7 HA TYR 7 248.359 6.865 -0.061 69 HB2 TYR 7 1HB TYR 7 250.278 7.455 2.192 70 HB3 TYR 7 2HB TYR 7 250.813 7.163 0.539 71 HD1 TYR 7 HD1 TYR 7 249.649 9.606 2.853 72 HD2 TYR 7 HD2 TYR 7 249.814 8.658 -1.286 73 HE1 TYR 7 HE1 TYR 7 249.282 11.973 2.302 74 HE2 TYR 7 HE2 TYR 7 249.455 11.016 -1.850 75 HH TYR 7 HH TYR 7 249.754 13.506 0.394 76 H CYS 8 H CYS 8 249.409 5.185 -1.025 77 HA CYS 8 HA CYS 8 248.908 2.636 -0.062 78 HB2 CYS 8 1HB CYS 8 249.173 2.984 -2.383 79 HB3 CYS 8 2HB CYS 8 250.781 3.659 -2.178 80 H THR 9 H THR 9 249.817 1.396 1.369 81 HA THR 9 HA THR 9 252.039 2.170 2.919 82 HB THR 9 HB THR 9 250.789 -0.573 2.702 83 HG1 THR 9 HG1 THR 9 250.010 1.778 4.080 84 HG21 THR 9 1HG2 THR 9 252.274 0.752 4.972 85 HG22 THR 9 2HG2 THR 9 252.912 -0.521 3.931 86 HG23 THR 9 3HG2 THR 9 251.553 -0.858 5.001 87 H TYR 10 H TYR 10 251.706 0.175 0.086 88 HA TYR 10 HA TYR 10 254.320 -1.004 0.344 89 HB2 TYR 10 1HB TYR 10 252.133 -1.154 -1.695 90 HB3 TYR 10 2HB TYR 10 253.749 -1.725 -2.103 91 HD1 TYR 10 HD1 TYR 10 253.821 -4.023 -2.047 92 HD2 TYR 10 HD2 TYR 10 251.648 -1.974 0.977 93 HE1 TYR 10 HE1 TYR 10 253.399 -6.161 -0.906 94 HE2 TYR 10 HE2 TYR 10 251.214 -4.098 2.122 95 HH TYR 10 HH TYR 10 251.210 -6.406 1.795 96 H CYS 11 H CYS 11 252.994 1.852 -0.988 97 HA CYS 11 HA CYS 11 255.294 2.387 -2.667 98 HB2 CYS 11 1HB CYS 11 252.786 3.880 -1.986 99 HB3 CYS 11 2HB CYS 11 254.150 4.747 -2.675 100 HA PRO 12 HA PRO 12 257.883 3.858 0.658 101 HB2 PRO 12 1HB PRO 12 258.937 5.569 -1.544 102 HB3 PRO 12 2HB PRO 12 259.810 4.528 -0.416 103 HG2 PRO 12 1HG PRO 12 259.429 3.789 -2.952 104 HG3 PRO 12 2HG PRO 12 259.362 2.609 -1.630 105 HD2 PRO 12 1HD PRO 12 257.146 3.813 -3.214 106 HD3 PRO 12 2HD PRO 12 257.282 2.191 -2.506 107 H SER 13 H SER 13 258.234 5.808 1.814 108 HA SER 13 HA SER 13 255.865 7.318 2.001 109 HB2 SER 13 1HB SER 13 258.525 7.953 3.282 110 HB3 SER 13 2HB SER 13 256.922 8.414 3.855 111 HG SER 13 HG SER 13 256.826 5.827 3.605 112 H LYS 14 H LYS 14 258.835 7.902 0.296 113 HA LYS 14 HA LYS 14 258.251 10.698 -0.162 114 HB2 LYS 14 1HB LYS 14 260.338 8.848 -1.323 115 HB3 LYS 14 2HB LYS 14 260.190 10.543 -1.761 116 HG2 LYS 14 1HG LYS 14 260.701 9.532 1.027 117 HG3 LYS 14 2HG LYS 14 261.942 10.123 -0.081 118 HD2 LYS 14 1HD LYS 14 260.807 12.301 -0.164 119 HD3 LYS 14 2HD LYS 14 259.594 11.704 0.966 120 HE2 LYS 14 1HE LYS 14 262.546 11.970 1.516 121 HE3 LYS 14 2HE LYS 14 261.286 13.055 2.099 122 HZ1 LYS 14 1HZ LYS 14 261.576 10.183 2.790 123 HZ2 LYS 14 2HZ LYS 14 260.314 11.181 3.308 124 HZ3 LYS 14 3HZ LYS 14 261.897 11.494 3.807 125 H ILE 15 H ILE 15 257.211 7.778 -1.415 126 HA ILE 15 HA ILE 15 256.503 8.938 -4.017 127 HB ILE 15 HB ILE 15 256.225 6.067 -3.110 128 HG12 ILE 15 1HG1 ILE 15 258.586 6.709 -3.138 129 HG13 ILE 15 2HG1 ILE 15 258.231 5.601 -4.456 130 HG21 ILE 15 1HG2 ILE 15 254.726 6.640 -4.921 131 HG22 ILE 15 2HG2 ILE 15 256.009 5.584 -5.510 132 HG23 ILE 15 3HG2 ILE 15 256.065 7.314 -5.848 133 HD11 ILE 15 1HD1 ILE 15 259.715 7.361 -5.184 134 HD12 ILE 15 2HD1 ILE 15 258.552 8.584 -4.674 135 HD13 ILE 15 3HD1 ILE 15 258.160 7.495 -6.004 136 H ARG 16 H ARG 16 254.928 10.302 -3.013 137 HA ARG 16 HA ARG 16 252.833 9.199 -1.406 138 HB2 ARG 16 1HB ARG 16 253.223 11.936 -2.611 139 HB3 ARG 16 2HB ARG 16 251.857 11.510 -1.592 140 HG2 ARG 16 1HG ARG 16 253.381 10.993 0.245 141 HG3 ARG 16 2HG ARG 16 254.756 11.421 -0.777 142 HD2 ARG 16 1HD ARG 16 252.512 13.264 0.037 143 HD3 ARG 16 2HD ARG 16 254.136 13.257 0.723 144 HE ARG 16 HE ARG 16 254.708 13.663 -1.828 145 HH11 ARG 16 1HH1 ARG 16 252.206 15.123 0.145 146 HH12 ARG 16 2HH1 ARG 16 252.192 16.607 -0.753 147 HH21 ARG 16 1HH2 ARG 16 254.686 15.613 -3.010 148 HH22 ARG 16 2HH2 ARG 16 253.607 16.888 -2.545 149 H ARG 17 H ARG 17 251.995 7.603 -2.816 150 HA ARG 17 HA ARG 17 250.127 8.730 -4.791 151 HB2 ARG 17 1HB ARG 17 251.259 5.926 -4.638 152 HB3 ARG 17 2HB ARG 17 250.033 6.450 -5.784 153 HG2 ARG 17 1HG ARG 17 251.638 8.093 -6.695 154 HG3 ARG 17 2HG ARG 17 252.866 7.455 -5.602 155 HD2 ARG 17 1HD ARG 17 253.200 6.427 -7.728 156 HD3 ARG 17 2HD ARG 17 252.507 5.208 -6.659 157 HE ARG 17 HE ARG 17 250.358 6.334 -7.936 158 HH11 ARG 17 1HH1 ARG 17 253.284 4.693 -8.937 159 HH12 ARG 17 2HH1 ARG 17 252.598 4.100 -10.416 160 HH21 ARG 17 1HH2 ARG 17 249.457 5.565 -9.892 161 HH22 ARG 17 2HH2 ARG 17 250.425 4.603 -10.961 162 H LYS 18 H LYS 18 248.031 8.590 -4.339 163 HA LYS 18 HA LYS 18 247.225 7.716 -1.762 164 HB2 LYS 18 1HB LYS 18 245.623 8.633 -4.152 165 HB3 LYS 18 2HB LYS 18 244.893 8.213 -2.612 166 HG2 LYS 18 1HG LYS 18 245.064 10.541 -2.576 167 HG3 LYS 18 2HG LYS 18 246.419 9.987 -1.594 168 HD2 LYS 18 1HD LYS 18 247.955 10.365 -3.394 169 HD3 LYS 18 2HD LYS 18 246.636 10.710 -4.511 170 HE2 LYS 18 1HE LYS 18 246.041 12.682 -3.174 171 HE3 LYS 18 2HE LYS 18 247.388 12.344 -2.089 172 HZ1 LYS 18 1HZ LYS 18 248.919 12.693 -3.896 173 HZ2 LYS 18 2HZ LYS 18 247.913 14.042 -3.755 174 HZ3 LYS 18 3HZ LYS 18 247.649 12.917 -4.990 175 H ALA 19 H ALA 19 246.277 5.899 -1.104 176 HA ALA 19 HA ALA 19 246.539 3.573 -2.727 177 HB1 ALA 19 1HB ALA 19 245.170 3.880 -0.062 178 HB2 ALA 19 2HB ALA 19 246.891 3.573 -0.295 179 HB3 ALA 19 3HB ALA 19 245.705 2.372 -0.803 180 H ASN 20 H ASN 20 244.969 2.228 -3.548 181 HA ASN 20 HA ASN 20 242.389 3.531 -4.054 182 HB2 ASN 20 1HB ASN 20 243.665 3.021 -6.067 183 HB3 ASN 20 2HB ASN 20 243.816 1.337 -5.580 184 HD21 ASN 20 1HD2 ASN 20 242.096 -0.051 -5.879 185 HD22 ASN 20 2HD2 ASN 20 240.686 0.387 -6.779 186 H ALA 21 H ALA 21 243.885 0.559 -2.938 187 HA ALA 21 HA ALA 21 241.244 -0.345 -2.010 188 HB1 ALA 21 1HB ALA 21 241.904 -2.661 -2.478 189 HB2 ALA 21 2HB ALA 21 243.416 -2.085 -3.179 190 HB3 ALA 21 3HB ALA 21 241.880 -1.683 -3.946 191 H SER 22 H SER 22 241.448 -1.965 -0.218 192 HA SER 22 HA SER 22 243.869 -1.519 1.384 193 HB2 SER 22 1HB SER 22 241.068 -1.625 2.518 194 HB3 SER 22 2HB SER 22 242.557 -1.230 3.376 195 HG SER 22 HG SER 22 242.244 0.390 1.244 196 H CYS 23 H CYS 23 244.595 -3.243 2.531 197 HA CYS 23 HA CYS 23 243.467 -5.846 1.868 198 HB2 CYS 23 1HB CYS 23 245.894 -5.432 1.657 199 HB3 CYS 23 2HB CYS 23 245.975 -5.067 3.374 200 H LYS 24 H LYS 24 241.878 -6.557 3.153 201 HA LYS 24 HA LYS 24 241.200 -5.262 5.570 202 HB2 LYS 24 1HB LYS 24 240.178 -7.774 4.259 203 HB3 LYS 24 2HB LYS 24 239.546 -7.203 5.795 204 HG2 LYS 24 1HG LYS 24 238.074 -6.469 4.074 205 HG3 LYS 24 2HG LYS 24 238.945 -5.058 4.674 206 HD2 LYS 24 1HD LYS 24 240.458 -5.171 2.763 207 HD3 LYS 24 2HD LYS 24 239.617 -6.605 2.172 208 HE2 LYS 24 1HE LYS 24 237.582 -5.315 1.878 209 HE3 LYS 24 2HE LYS 24 238.371 -3.883 2.542 210 HZ1 LYS 24 1HZ LYS 24 239.152 -5.293 0.048 211 HZ2 LYS 24 2HZ LYS 24 239.920 -3.930 0.687 212 HZ3 LYS 24 3HZ LYS 24 238.326 -3.820 0.136 213 H LYS 25 H LYS 25 243.146 -8.029 4.892 214 HA LYS 25 HA LYS 25 242.907 -9.384 7.341 215 HB2 LYS 25 1HB LYS 25 243.858 -10.340 5.255 216 HB3 LYS 25 2HB LYS 25 245.278 -9.330 5.469 217 HG2 LYS 25 1HG LYS 25 245.752 -11.563 6.211 218 HG3 LYS 25 2HG LYS 25 245.737 -10.474 7.600 219 HD2 LYS 25 1HD LYS 25 243.525 -11.219 8.214 220 HD3 LYS 25 2HD LYS 25 243.419 -12.209 6.758 221 HE2 LYS 25 1HE LYS 25 245.391 -12.584 9.011 222 HE3 LYS 25 2HE LYS 25 243.946 -13.558 8.734 223 HZ1 LYS 25 1HZ LYS 25 246.272 -13.329 6.905 224 HZ2 LYS 25 2HZ LYS 25 244.877 -14.233 6.599 225 HZ3 LYS 25 3HZ LYS 25 245.896 -14.659 7.875 226 H CYS 26 H CYS 26 245.060 -6.781 6.309 227 HA CYS 26 HA CYS 26 246.221 -6.791 9.020 228 HB2 CYS 26 1HB CYS 26 248.313 -5.982 8.013 229 HB3 CYS 26 2HB CYS 26 247.833 -7.540 7.341 230 H LYS 27 H LYS 27 244.378 -5.063 6.839 231 HA LYS 27 HA LYS 27 243.509 -2.987 6.792 232 HB2 LYS 27 1HB LYS 27 244.786 -2.759 9.515 233 HB3 LYS 27 2HB LYS 27 243.756 -1.519 8.811 234 HG2 LYS 27 1HG LYS 27 241.926 -3.182 8.668 235 HG3 LYS 27 2HG LYS 27 242.965 -4.345 9.496 236 HD2 LYS 27 1HD LYS 27 243.112 -2.846 11.421 237 HD3 LYS 27 2HD LYS 27 242.089 -1.673 10.591 238 HE2 LYS 27 1HE LYS 27 240.268 -3.314 10.536 239 HE3 LYS 27 2HE LYS 27 241.291 -4.471 11.388 240 HZ1 LYS 27 1HZ LYS 27 239.797 -3.352 12.906 241 HZ2 LYS 27 2HZ LYS 27 240.395 -1.844 12.440 242 HZ3 LYS 27 3HZ LYS 27 241.396 -2.934 13.254 243 H LYS 28 H LYS 28 246.160 -3.546 5.698 244 HA LYS 28 HA LYS 28 247.331 -0.858 5.757 245 HB2 LYS 28 1HB LYS 28 248.329 -3.344 4.344 246 HB3 LYS 28 2HB LYS 28 249.171 -1.808 4.448 247 HG2 LYS 28 1HG LYS 28 248.531 -3.619 6.766 248 HG3 LYS 28 2HG LYS 28 250.100 -3.459 5.978 249 HD2 LYS 28 1HD LYS 28 250.068 -1.035 6.607 250 HD3 LYS 28 2HD LYS 28 248.616 -1.362 7.554 251 HE2 LYS 28 1HE LYS 28 250.586 -1.403 8.976 252 HE3 LYS 28 2HE LYS 28 249.856 -3.005 8.881 253 HZ1 LYS 28 1HZ LYS 28 251.529 -3.609 7.222 254 HZ2 LYS 28 2HZ LYS 28 252.245 -3.147 8.682 255 HZ3 LYS 28 3HZ LYS 28 252.242 -2.083 7.372 256 H VAL 29 H VAL 29 247.578 0.328 3.797 257 HA VAL 29 HA VAL 29 245.447 -0.334 1.888 258 HB VAL 29 HB VAL 29 245.438 2.073 1.315 259 HG11 VAL 29 1HG1 VAL 29 243.865 1.197 2.944 260 HG12 VAL 29 2HG1 VAL 29 244.364 2.831 3.385 261 HG13 VAL 29 3HG1 VAL 29 245.042 1.442 4.234 262 HG21 VAL 29 1HG2 VAL 29 247.737 2.616 1.929 263 HG22 VAL 29 2HG2 VAL 29 247.358 2.329 3.627 264 HG23 VAL 29 3HG2 VAL 29 246.594 3.666 2.764 265 H ILE 30 H ILE 30 245.790 -0.060 -0.351 266 HA ILE 30 HA ILE 30 248.605 0.026 -1.180 267 HB ILE 30 HB ILE 30 248.088 -2.011 -2.647 268 HG12 ILE 30 1HG1 ILE 30 245.820 -2.144 -0.651 269 HG13 ILE 30 2HG1 ILE 30 245.706 -2.151 -2.405 270 HG21 ILE 30 1HG2 ILE 30 249.632 -2.056 -0.756 271 HG22 ILE 30 2HG2 ILE 30 248.719 -3.563 -0.862 272 HG23 ILE 30 3HG2 ILE 30 248.286 -2.351 0.346 273 HD11 ILE 30 1HD1 ILE 30 246.825 -4.360 -2.406 274 HD12 ILE 30 2HD1 ILE 30 245.268 -4.346 -1.582 275 HD13 ILE 30 3HD1 ILE 30 246.762 -4.344 -0.646 276 H CYS 31 H CYS 31 248.950 0.475 -3.381 277 HA CYS 31 HA CYS 31 246.815 2.046 -4.580 278 HB2 CYS 31 1HB CYS 31 248.510 2.967 -6.032 279 HB3 CYS 31 2HB CYS 31 249.149 2.957 -4.395 280 H ARG 32 H ARG 32 246.685 1.916 -7.077 281 HA ARG 32 HA ARG 32 245.793 -0.627 -7.816 282 HB2 ARG 32 1HB ARG 32 246.527 1.785 -9.459 283 HB3 ARG 32 2HB ARG 32 245.914 0.311 -10.190 284 HG2 ARG 32 1HG ARG 32 244.462 1.904 -8.091 285 HG3 ARG 32 2HG ARG 32 244.182 2.033 -9.828 286 HD2 ARG 32 1HD ARG 32 243.795 -0.427 -8.122 287 HD3 ARG 32 2HD ARG 32 242.525 0.580 -8.810 288 HE ARG 32 HE ARG 32 243.885 -0.184 -11.000 289 HH11 ARG 32 1HH1 ARG 32 242.627 -1.991 -8.278 290 HH12 ARG 32 2HH1 ARG 32 242.345 -3.431 -9.205 291 HH21 ARG 32 1HH2 ARG 32 243.504 -2.088 -12.225 292 HH22 ARG 32 2HH2 ARG 32 242.838 -3.486 -11.438 293 H GLU 33 H GLU 33 248.956 0.753 -7.951 294 HA GLU 33 HA GLU 33 249.969 -1.200 -9.822 295 HB2 GLU 33 1HB GLU 33 251.405 0.853 -8.133 296 HB3 GLU 33 2HB GLU 33 252.154 -0.136 -9.379 297 HG2 GLU 33 1HG GLU 33 249.921 1.820 -9.869 298 HG3 GLU 33 2HG GLU 33 251.631 2.172 -10.101 299 H HIS 34 H HIS 34 249.251 -1.184 -6.546 300 HA HIS 34 HA HIS 34 251.128 -3.398 -6.052 301 HB2 HIS 34 1HB HIS 34 250.571 -1.042 -4.250 302 HB3 HIS 34 2HB HIS 34 251.257 -2.543 -3.649 303 HD2 HIS 34 HD2 HIS 34 253.394 -2.914 -6.189 304 HE1 HIS 34 HE1 HIS 34 254.938 0.694 -4.599 305 HE2 HIS 34 HE2 HIS 34 255.488 -1.407 -5.921 306 H ASN 35 H ASN 35 248.143 -3.199 -6.671 307 HA ASN 35 HA ASN 35 247.262 -4.518 -4.205 308 HB2 ASN 35 1HB ASN 35 244.931 -3.858 -4.736 309 HB3 ASN 35 2HB ASN 35 245.995 -2.507 -4.400 310 HD21 ASN 35 1HD2 ASN 35 246.024 -4.124 -7.524 311 HD22 ASN 35 2HD2 ASN 35 245.292 -2.821 -8.391 312 H ILE 36 H ILE 36 246.411 -6.449 -4.223 313 HA ILE 36 HA ILE 36 245.357 -7.514 -6.758 314 HB ILE 36 HB ILE 36 245.944 -9.792 -5.978 315 HG12 ILE 36 1HG1 ILE 36 247.450 -8.349 -3.782 316 HG13 ILE 36 2HG1 ILE 36 246.002 -9.323 -3.560 317 HG21 ILE 36 1HG2 ILE 36 248.294 -7.913 -6.146 318 HG22 ILE 36 2HG2 ILE 36 247.442 -8.642 -7.508 319 HG23 ILE 36 3HG2 ILE 36 248.357 -9.658 -6.392 320 HD11 ILE 36 1HD1 ILE 36 247.999 -10.534 -2.905 321 HD12 ILE 36 2HD1 ILE 36 248.669 -10.327 -4.523 322 HD13 ILE 36 3HD1 ILE 36 247.220 -11.304 -4.287 323 H ASP 37 H ASP 37 243.963 -5.940 -4.952 324 HA ASP 37 HA ASP 37 242.261 -5.749 -3.466 325 HB2 ASP 37 1HB ASP 37 241.647 -8.465 -4.617 326 HB3 ASP 37 2HB ASP 37 240.621 -7.721 -3.393 327 H MET 38 H MET 38 244.800 -6.781 -2.669 328 HA MET 38 HA MET 38 244.444 -7.377 0.026 329 HB2 MET 38 1HB MET 38 243.649 -9.576 -0.920 330 HB3 MET 38 2HB MET 38 245.224 -9.777 -1.669 331 HG2 MET 38 1HG MET 38 246.288 -9.901 0.483 332 HG3 MET 38 2HG MET 38 244.765 -9.543 1.296 333 HE1 MET 38 1HE MET 38 242.656 -12.747 0.579 334 HE2 MET 38 2HE MET 38 242.698 -11.323 -0.459 335 HE3 MET 38 3HE MET 38 242.683 -11.136 1.293 336 H CYS 39 H CYS 39 246.650 -7.673 1.010 337 HA CYS 39 HA CYS 39 248.634 -6.561 -0.829 338 HB2 CYS 39 1HB CYS 39 249.650 -5.521 0.943 339 HB3 CYS 39 2HB CYS 39 248.014 -5.623 1.584 340 H GLN 40 H GLN 40 250.708 -7.391 -0.957 341 HA GLN 40 HA GLN 40 250.741 -10.122 -1.473 342 HB2 GLN 40 1HB GLN 40 252.156 -8.305 -2.511 343 HB3 GLN 40 2HB GLN 40 253.170 -8.379 -1.078 344 HG2 GLN 40 1HG GLN 40 254.189 -9.670 -2.798 345 HG3 GLN 40 2HG GLN 40 253.590 -10.764 -1.554 346 HE21 GLN 40 1HE2 GLN 40 251.544 -9.196 -3.929 347 HE22 GLN 40 2HE2 GLN 40 251.126 -10.637 -4.790 348 H SER 41 H SER 41 251.599 -8.409 1.428 349 HA SER 41 HA SER 41 253.232 -10.435 2.566 350 HB2 SER 41 1HB SER 41 253.291 -8.070 3.287 351 HB3 SER 41 2HB SER 41 251.679 -8.252 3.969 352 HG SER 41 HG SER 41 252.598 -9.011 5.684 353 H CYS 42 H CYS 42 249.802 -9.985 2.344 354 HA CYS 42 HA CYS 42 249.345 -12.121 4.311 355 HB2 CYS 42 1HB CYS 42 247.341 -10.293 2.967 356 HB3 CYS 42 2HB CYS 42 246.972 -11.488 4.203 357 H PHE 43 H PHE 43 250.181 -12.039 1.271 358 HA PHE 43 HA PHE 43 248.130 -13.849 0.238 359 HB2 PHE 43 1HB PHE 43 248.810 -11.908 -1.158 360 HB3 PHE 43 2HB PHE 43 250.449 -12.548 -1.209 361 HD1 PHE 43 HD1 PHE 43 251.067 -13.962 -2.931 362 HD2 PHE 43 HD2 PHE 43 246.942 -13.472 -2.015 363 HE1 PHE 43 HE1 PHE 43 250.473 -15.308 -4.902 364 HE2 PHE 43 HE2 PHE 43 246.341 -14.815 -3.982 365 HZ PHE 43 HZ PHE 43 248.107 -15.735 -5.427 Start of MODEL 3 1 H1 VAL 1 1H VAL 1 250.835 9.131 13.392 2 H2 VAL 1 2H VAL 1 250.924 9.413 15.054 3 H3 VAL 1 3H VAL 1 251.929 10.269 13.997 4 HA VAL 1 HA VAL 1 248.979 10.461 14.125 5 HB VAL 1 HB VAL 1 251.044 12.555 14.843 6 HG11 VAL 1 1HG1 VAL 1 249.141 13.781 15.766 7 HG12 VAL 1 2HG1 VAL 1 248.053 12.497 15.240 8 HG13 VAL 1 3HG1 VAL 1 248.920 13.461 14.045 9 HG21 VAL 1 1HG2 VAL 1 250.399 12.190 17.180 10 HG22 VAL 1 2HG2 VAL 1 251.118 10.743 16.472 11 HG23 VAL 1 3HG2 VAL 1 249.370 10.847 16.684 12 H MET 2 H MET 2 248.963 10.020 11.844 13 HA MET 2 HA MET 2 249.097 12.382 10.260 14 HB2 MET 2 1HB MET 2 251.478 11.822 10.187 15 HB3 MET 2 2HB MET 2 251.098 10.183 9.680 16 HG2 MET 2 1HG MET 2 251.888 11.635 7.847 17 HG3 MET 2 2HG MET 2 250.289 10.952 7.566 18 HE1 MET 2 1HE MET 2 251.139 13.963 9.980 19 HE2 MET 2 2HE MET 2 251.001 15.327 8.870 20 HE3 MET 2 3HE MET 2 252.291 14.145 8.657 21 H LYS 3 H LYS 3 247.984 12.136 8.299 22 HA LYS 3 HA LYS 3 246.416 9.688 8.086 23 HB2 LYS 3 1HB LYS 3 246.196 12.354 6.675 24 HB3 LYS 3 2HB LYS 3 245.197 10.969 6.275 25 HG2 LYS 3 1HG LYS 3 243.872 12.277 7.679 26 HG3 LYS 3 2HG LYS 3 244.475 10.985 8.717 27 HD2 LYS 3 1HD LYS 3 246.188 12.469 9.599 28 HD3 LYS 3 2HD LYS 3 245.645 13.760 8.526 29 HE2 LYS 3 1HE LYS 3 243.425 13.672 9.640 30 HE3 LYS 3 2HE LYS 3 244.082 12.492 10.772 31 HZ1 LYS 3 1HZ LYS 3 244.140 14.697 11.713 32 HZ2 LYS 3 2HZ LYS 3 245.036 15.277 10.403 33 HZ3 LYS 3 3HZ LYS 3 245.718 14.149 11.460 34 H LYS 4 H LYS 4 247.987 8.273 7.343 35 HA LYS 4 HA LYS 4 249.163 8.926 4.737 36 HB2 LYS 4 1HB LYS 4 250.944 7.337 5.232 37 HB3 LYS 4 2HB LYS 4 250.841 8.576 6.470 38 HG2 LYS 4 1HG LYS 4 249.469 5.954 6.868 39 HG3 LYS 4 2HG LYS 4 251.204 6.100 7.136 40 HD2 LYS 4 1HD LYS 4 250.789 7.917 8.738 41 HD3 LYS 4 2HD LYS 4 249.055 7.733 8.484 42 HE2 LYS 4 1HE LYS 4 250.897 5.598 9.555 43 HE3 LYS 4 2HE LYS 4 249.840 6.611 10.533 44 HZ1 LYS 4 1HZ LYS 4 248.887 4.420 10.070 45 HZ2 LYS 4 2HZ LYS 4 248.916 4.749 8.415 46 HZ3 LYS 4 3HZ LYS 4 247.931 5.664 9.439 47 H ARG 5 H ARG 5 246.645 7.257 5.923 48 HA ARG 5 HA ARG 5 246.930 4.789 4.510 49 HB2 ARG 5 1HB ARG 5 244.577 6.157 5.781 50 HB3 ARG 5 2HB ARG 5 244.373 4.698 4.823 51 HG2 ARG 5 1HG ARG 5 246.012 3.574 6.327 52 HG3 ARG 5 2HG ARG 5 245.980 5.016 7.342 53 HD2 ARG 5 1HD ARG 5 243.615 4.729 7.739 54 HD3 ARG 5 2HD ARG 5 243.565 3.367 6.621 55 HE ARG 5 HE ARG 5 245.332 3.165 8.937 56 HH11 ARG 5 1HH1 ARG 5 242.335 2.240 7.374 57 HH12 ARG 5 2HH1 ARG 5 242.076 0.870 8.406 58 HH21 ARG 5 1HH2 ARG 5 245.006 1.349 10.278 59 HH22 ARG 5 2HH2 ARG 5 243.599 0.360 10.056 60 H THR 6 H THR 6 246.206 7.950 3.578 61 HA THR 6 HA THR 6 244.697 7.480 1.246 62 HB THR 6 HB THR 6 246.718 9.678 1.735 63 HG1 THR 6 HG1 THR 6 243.932 9.536 2.362 64 HG21 THR 6 1HG2 THR 6 246.006 9.533 -0.588 65 HG22 THR 6 2HG2 THR 6 245.323 10.968 0.175 66 HG23 THR 6 3HG2 THR 6 244.315 9.545 -0.090 67 H TYR 7 H TYR 7 248.041 7.027 2.017 68 HA TYR 7 HA TYR 7 248.702 6.686 -0.826 69 HB2 TYR 7 1HB TYR 7 250.535 7.222 1.519 70 HB3 TYR 7 2HB TYR 7 251.054 7.007 -0.149 71 HD1 TYR 7 HD1 TYR 7 249.785 8.619 -1.865 72 HD2 TYR 7 HD2 TYR 7 250.313 9.379 2.288 73 HE1 TYR 7 HE1 TYR 7 249.509 11.024 -2.275 74 HE2 TYR 7 HE2 TYR 7 250.032 11.787 1.890 75 HH TYR 7 HH TYR 7 248.811 13.061 -0.961 76 H CYS 8 H CYS 8 249.643 4.860 -1.538 77 HA CYS 8 HA CYS 8 249.074 2.423 -0.309 78 HB2 CYS 8 1HB CYS 8 249.338 2.426 -2.632 79 HB3 CYS 8 2HB CYS 8 250.872 3.271 -2.556 80 H THR 9 H THR 9 250.020 1.268 1.205 81 HA THR 9 HA THR 9 252.169 2.240 2.734 82 HB THR 9 HB THR 9 251.029 -0.560 2.662 83 HG1 THR 9 HG1 THR 9 250.311 1.586 4.389 84 HG21 THR 9 1HG2 THR 9 253.116 -0.482 3.891 85 HG22 THR 9 2HG2 THR 9 251.770 -0.641 5.020 86 HG23 THR 9 3HG2 THR 9 252.557 0.921 4.802 87 H TYR 10 H TYR 10 252.032 0.067 0.013 88 HA TYR 10 HA TYR 10 254.736 -0.873 0.344 89 HB2 TYR 10 1HB TYR 10 252.621 -1.235 -1.752 90 HB3 TYR 10 2HB TYR 10 254.286 -1.688 -2.096 91 HD1 TYR 10 HD1 TYR 10 254.655 -3.941 -1.919 92 HD2 TYR 10 HD2 TYR 10 251.961 -2.107 0.815 93 HE1 TYR 10 HE1 TYR 10 254.325 -6.105 -0.800 94 HE2 TYR 10 HE2 TYR 10 251.622 -4.262 1.940 95 HH TYR 10 HH TYR 10 253.635 -6.959 1.381 96 H CYS 11 H CYS 11 253.213 1.860 -0.989 97 HA CYS 11 HA CYS 11 255.502 2.543 -2.674 98 HB2 CYS 11 1HB CYS 11 252.743 3.666 -2.342 99 HB3 CYS 11 2HB CYS 11 254.008 4.663 -3.040 100 HA PRO 12 HA PRO 12 257.159 5.285 0.475 101 HB2 PRO 12 1HB PRO 12 258.334 6.802 -1.746 102 HB3 PRO 12 2HB PRO 12 259.142 5.932 -0.442 103 HG2 PRO 12 1HG PRO 12 259.171 5.065 -3.003 104 HG3 PRO 12 2HG PRO 12 259.210 3.960 -1.617 105 HD2 PRO 12 1HD PRO 12 256.928 4.683 -3.406 106 HD3 PRO 12 2HD PRO 12 257.346 3.117 -2.678 107 H SER 13 H SER 13 256.346 7.104 1.348 108 HA SER 13 HA SER 13 254.003 8.245 0.350 109 HB2 SER 13 1HB SER 13 255.867 9.468 2.393 110 HB3 SER 13 2HB SER 13 254.138 9.767 2.218 111 HG SER 13 HG SER 13 254.125 7.279 2.508 112 H LYS 14 H LYS 14 257.333 9.138 -0.132 113 HA LYS 14 HA LYS 14 256.827 11.798 -1.029 114 HB2 LYS 14 1HB LYS 14 259.216 10.024 -1.557 115 HB3 LYS 14 2HB LYS 14 259.146 11.759 -1.824 116 HG2 LYS 14 1HG LYS 14 258.925 10.368 0.835 117 HG3 LYS 14 2HG LYS 14 260.328 11.246 0.228 118 HD2 LYS 14 1HD LYS 14 259.026 13.308 0.185 119 HD3 LYS 14 2HD LYS 14 257.603 12.432 0.753 120 HE2 LYS 14 1HE LYS 14 258.809 11.852 2.817 121 HE3 LYS 14 2HE LYS 14 260.198 12.779 2.251 122 HZ1 LYS 14 1HZ LYS 14 258.814 14.041 3.794 123 HZ2 LYS 14 2HZ LYS 14 257.492 13.888 2.753 124 HZ3 LYS 14 3HZ LYS 14 258.848 14.767 2.267 125 H ILE 15 H ILE 15 256.386 8.744 -2.450 126 HA ILE 15 HA ILE 15 256.586 9.671 -5.185 127 HB ILE 15 HB ILE 15 255.433 7.097 -4.090 128 HG12 ILE 15 1HG1 ILE 15 257.799 7.281 -3.582 129 HG13 ILE 15 2HG1 ILE 15 257.563 6.090 -4.855 130 HG21 ILE 15 1HG2 ILE 15 256.209 7.779 -6.921 131 HG22 ILE 15 2HG2 ILE 15 254.559 7.650 -6.314 132 HG23 ILE 15 3HG2 ILE 15 255.599 6.226 -6.347 133 HD11 ILE 15 1HD1 ILE 15 259.491 7.440 -5.333 134 HD12 ILE 15 2HD1 ILE 15 258.536 8.914 -5.196 135 HD13 ILE 15 3HD1 ILE 15 258.225 7.784 -6.512 136 H ARG 16 H ARG 16 254.285 9.561 -2.681 137 HA ARG 16 HA ARG 16 252.144 10.252 -2.447 138 HB2 ARG 16 1HB ARG 16 252.731 11.707 -5.031 139 HB3 ARG 16 2HB ARG 16 251.333 12.003 -4.007 140 HG2 ARG 16 1HG ARG 16 254.189 12.340 -3.121 141 HG3 ARG 16 2HG ARG 16 253.164 13.645 -3.718 142 HD2 ARG 16 1HD ARG 16 251.632 13.348 -1.888 143 HD3 ARG 16 2HD ARG 16 252.499 11.915 -1.340 144 HE ARG 16 HE ARG 16 254.408 13.790 -1.237 145 HH11 ARG 16 1HH1 ARG 16 251.111 13.771 -0.041 146 HH12 ARG 16 2HH1 ARG 16 251.468 14.811 1.303 147 HH21 ARG 16 1HH2 ARG 16 254.874 15.129 0.541 148 HH22 ARG 16 2HH2 ARG 16 253.606 15.580 1.635 149 H ARG 17 H ARG 17 252.567 7.745 -3.727 150 HA ARG 17 HA ARG 17 250.612 7.576 -5.857 151 HB2 ARG 17 1HB ARG 17 252.750 6.222 -5.801 152 HB3 ARG 17 2HB ARG 17 252.054 5.311 -4.470 153 HG2 ARG 17 1HG ARG 17 251.759 4.056 -6.474 154 HG3 ARG 17 2HG ARG 17 250.181 4.658 -5.966 155 HD2 ARG 17 1HD ARG 17 251.857 6.125 -7.985 156 HD3 ARG 17 2HD ARG 17 250.784 4.810 -8.457 157 HE ARG 17 HE ARG 17 249.018 6.253 -7.259 158 HH11 ARG 17 1HH1 ARG 17 251.710 7.493 -9.131 159 HH12 ARG 17 2HH1 ARG 17 250.877 8.939 -9.597 160 HH21 ARG 17 1HH2 ARG 17 247.920 8.147 -7.893 161 HH22 ARG 17 2HH2 ARG 17 248.727 9.317 -8.888 162 H LYS 18 H LYS 18 248.588 7.805 -5.201 163 HA LYS 18 HA LYS 18 247.638 7.219 -2.624 164 HB2 LYS 18 1HB LYS 18 246.341 7.938 -5.216 165 HB3 LYS 18 2HB LYS 18 245.336 7.349 -3.902 166 HG2 LYS 18 1HG LYS 18 245.346 9.740 -3.856 167 HG3 LYS 18 2HG LYS 18 246.242 9.145 -2.462 168 HD2 LYS 18 1HD LYS 18 247.484 10.957 -3.339 169 HD3 LYS 18 2HD LYS 18 248.342 9.490 -3.805 170 HE2 LYS 18 1HE LYS 18 248.301 10.970 -5.683 171 HE3 LYS 18 2HE LYS 18 247.225 9.616 -6.023 172 HZ1 LYS 18 1HZ LYS 18 246.375 12.294 -5.070 173 HZ2 LYS 18 2HZ LYS 18 245.345 11.001 -5.423 174 HZ3 LYS 18 3HZ LYS 18 246.240 11.729 -6.657 175 H ALA 19 H ALA 19 246.374 5.609 -1.830 176 HA ALA 19 HA ALA 19 246.686 3.035 -3.172 177 HB1 ALA 19 1HB ALA 19 246.257 2.048 -1.041 178 HB2 ALA 19 2HB ALA 19 245.714 3.590 -0.380 179 HB3 ALA 19 3HB ALA 19 247.407 3.364 -0.810 180 H ASN 20 H ASN 20 245.056 2.811 -4.637 181 HA ASN 20 HA ASN 20 242.344 3.535 -3.941 182 HB2 ASN 20 1HB ASN 20 243.508 2.274 -6.430 183 HB3 ASN 20 2HB ASN 20 241.797 2.634 -6.224 184 HD21 ASN 20 1HD2 ASN 20 243.703 3.688 -8.168 185 HD22 ASN 20 2HD2 ASN 20 243.683 5.404 -7.964 186 H ALA 21 H ALA 21 244.227 1.021 -3.139 187 HA ALA 21 HA ALA 21 241.898 -0.722 -2.768 188 HB1 ALA 21 1HB ALA 21 243.141 -1.702 -4.590 189 HB2 ALA 21 2HB ALA 21 243.364 -2.693 -3.148 190 HB3 ALA 21 3HB ALA 21 244.641 -1.597 -3.672 191 H SER 22 H SER 22 242.304 -2.327 -0.992 192 HA SER 22 HA SER 22 244.308 -1.513 0.937 193 HB2 SER 22 1HB SER 22 242.519 -1.341 2.736 194 HB3 SER 22 2HB SER 22 242.585 -0.011 1.582 195 HG SER 22 HG SER 22 240.922 -2.123 0.895 196 H CYS 23 H CYS 23 245.150 -3.238 1.874 197 HA CYS 23 HA CYS 23 244.054 -5.838 1.389 198 HB2 CYS 23 1HB CYS 23 246.509 -5.369 1.498 199 HB3 CYS 23 2HB CYS 23 246.330 -5.056 3.222 200 H LYS 24 H LYS 24 242.221 -6.270 2.419 201 HA LYS 24 HA LYS 24 241.508 -5.144 4.923 202 HB2 LYS 24 1HB LYS 24 240.287 -7.318 3.234 203 HB3 LYS 24 2HB LYS 24 239.563 -6.748 4.732 204 HG2 LYS 24 1HG LYS 24 239.043 -4.678 3.852 205 HG3 LYS 24 2HG LYS 24 240.265 -4.795 2.586 206 HD2 LYS 24 1HD LYS 24 237.892 -6.629 2.669 207 HD3 LYS 24 2HD LYS 24 237.815 -5.045 1.897 208 HE2 LYS 24 1HE LYS 24 239.786 -7.223 1.211 209 HE3 LYS 24 2HE LYS 24 238.320 -6.860 0.304 210 HZ1 LYS 24 1HZ LYS 24 239.206 -4.620 -0.097 211 HZ2 LYS 24 2HZ LYS 24 240.199 -5.827 -0.749 212 HZ3 LYS 24 3HZ LYS 24 240.645 -5.046 0.688 213 H LYS 25 H LYS 25 243.407 -7.820 4.112 214 HA LYS 25 HA LYS 25 242.758 -9.494 6.321 215 HB2 LYS 25 1HB LYS 25 243.841 -10.242 4.171 216 HB3 LYS 25 2HB LYS 25 245.324 -9.487 4.735 217 HG2 LYS 25 1HG LYS 25 245.379 -11.866 5.153 218 HG3 LYS 25 2HG LYS 25 245.337 -10.981 6.680 219 HD2 LYS 25 1HD LYS 25 242.964 -11.427 6.907 220 HD3 LYS 25 2HD LYS 25 242.937 -12.222 5.334 221 HE2 LYS 25 1HE LYS 25 244.425 -13.954 6.163 222 HE3 LYS 25 2HE LYS 25 244.533 -13.140 7.722 223 HZ1 LYS 25 1HZ LYS 25 242.092 -14.331 6.527 224 HZ2 LYS 25 2HZ LYS 25 242.132 -13.472 7.980 225 HZ3 LYS 25 3HZ LYS 25 242.962 -14.934 7.844 226 H CYS 26 H CYS 26 245.071 -6.890 5.805 227 HA CYS 26 HA CYS 26 245.848 -7.168 8.632 228 HB2 CYS 26 1HB CYS 26 248.113 -6.439 8.062 229 HB3 CYS 26 2HB CYS 26 247.686 -7.913 7.200 230 H LYS 27 H LYS 27 244.378 -5.241 6.391 231 HA LYS 27 HA LYS 27 243.515 -3.162 6.457 232 HB2 LYS 27 1HB LYS 27 244.491 -3.359 9.283 233 HB3 LYS 27 2HB LYS 27 243.881 -1.829 8.669 234 HG2 LYS 27 1HG LYS 27 242.113 -2.978 9.811 235 HG3 LYS 27 2HG LYS 27 241.756 -2.951 8.086 236 HD2 LYS 27 1HD LYS 27 242.568 -5.254 7.888 237 HD3 LYS 27 2HD LYS 27 242.918 -5.277 9.617 238 HE2 LYS 27 1HE LYS 27 240.541 -4.894 10.088 239 HE3 LYS 27 2HE LYS 27 240.203 -4.904 8.358 240 HZ1 LYS 27 1HZ LYS 27 239.717 -7.040 9.374 241 HZ2 LYS 27 2HZ LYS 27 241.313 -7.178 9.911 242 HZ3 LYS 27 3HZ LYS 27 240.977 -7.187 8.252 243 H LYS 28 H LYS 28 246.089 -3.622 5.358 244 HA LYS 28 HA LYS 28 247.258 -0.944 5.687 245 HB2 LYS 28 1HB LYS 28 248.510 -3.473 4.600 246 HB3 LYS 28 2HB LYS 28 249.277 -1.891 4.557 247 HG2 LYS 28 1HG LYS 28 249.192 -1.808 7.014 248 HG3 LYS 28 2HG LYS 28 248.494 -3.429 7.024 249 HD2 LYS 28 1HD LYS 28 250.495 -4.297 5.921 250 HD3 LYS 28 2HD LYS 28 251.190 -2.676 5.899 251 HE2 LYS 28 1HE LYS 28 252.129 -3.905 7.741 252 HE3 LYS 28 2HE LYS 28 251.076 -2.640 8.372 253 HZ1 LYS 28 1HZ LYS 28 249.325 -4.344 8.602 254 HZ2 LYS 28 2HZ LYS 28 250.677 -4.650 9.564 255 HZ3 LYS 28 3HZ LYS 28 250.441 -5.531 8.141 256 H VAL 29 H VAL 29 247.345 0.395 3.958 257 HA VAL 29 HA VAL 29 245.554 -0.301 1.797 258 HB VAL 29 HB VAL 29 245.812 2.085 1.130 259 HG11 VAL 29 1HG1 VAL 29 244.008 1.375 2.606 260 HG12 VAL 29 2HG1 VAL 29 244.570 2.991 3.032 261 HG13 VAL 29 3HG1 VAL 29 245.053 1.603 4.008 262 HG21 VAL 29 1HG2 VAL 29 246.959 3.631 2.591 263 HG22 VAL 29 2HG2 VAL 29 248.090 2.402 2.026 264 HG23 VAL 29 3HG2 VAL 29 247.434 2.312 3.661 265 H ILE 30 H ILE 30 246.062 -0.233 -0.402 266 HA ILE 30 HA ILE 30 248.911 -0.204 -1.088 267 HB ILE 30 HB ILE 30 248.491 -2.345 -2.436 268 HG12 ILE 30 1HG1 ILE 30 246.265 -2.607 -0.402 269 HG13 ILE 30 2HG1 ILE 30 246.028 -2.319 -2.119 270 HG21 ILE 30 1HG2 ILE 30 249.971 -2.252 -0.505 271 HG22 ILE 30 2HG2 ILE 30 249.075 -3.771 -0.529 272 HG23 ILE 30 3HG2 ILE 30 248.597 -2.483 0.577 273 HD11 ILE 30 1HD1 ILE 30 245.685 -4.663 -1.418 274 HD12 ILE 30 2HD1 ILE 30 247.396 -4.740 -0.988 275 HD13 ILE 30 3HD1 ILE 30 246.915 -4.460 -2.662 276 H CYS 31 H CYS 31 249.328 0.007 -3.326 277 HA CYS 31 HA CYS 31 247.111 1.138 -4.849 278 HB2 CYS 31 1HB CYS 31 248.752 2.028 -6.346 279 HB3 CYS 31 2HB CYS 31 249.382 2.291 -4.726 280 H ARG 32 H ARG 32 246.472 0.273 -6.844 281 HA ARG 32 HA ARG 32 246.601 -2.569 -6.955 282 HB2 ARG 32 1HB ARG 32 245.401 -0.542 -8.840 283 HB3 ARG 32 2HB ARG 32 245.237 -2.282 -9.041 284 HG2 ARG 32 1HG ARG 32 244.092 -2.451 -6.912 285 HG3 ARG 32 2HG ARG 32 244.309 -0.721 -6.640 286 HD2 ARG 32 1HD ARG 32 242.051 -1.263 -7.434 287 HD3 ARG 32 2HD ARG 32 242.917 -0.213 -8.553 288 HE ARG 32 HE ARG 32 243.411 -2.442 -9.754 289 HH11 ARG 32 1HH1 ARG 32 240.452 -1.702 -8.031 290 HH12 ARG 32 2HH1 ARG 32 239.463 -2.697 -9.047 291 HH21 ARG 32 1HH2 ARG 32 242.112 -3.749 -11.090 292 HH22 ARG 32 2HH2 ARG 32 240.407 -3.859 -10.793 293 H GLU 33 H GLU 33 248.738 -0.278 -7.959 294 HA GLU 33 HA GLU 33 249.783 -1.696 -10.244 295 HB2 GLU 33 1HB GLU 33 250.010 0.757 -10.034 296 HB3 GLU 33 2HB GLU 33 250.980 0.536 -8.586 297 HG2 GLU 33 1HG GLU 33 252.656 -0.667 -9.934 298 HG3 GLU 33 2HG GLU 33 251.697 -0.330 -11.374 299 H HIS 34 H HIS 34 250.138 -1.637 -6.813 300 HA HIS 34 HA HIS 34 252.521 -3.329 -6.894 301 HB2 HIS 34 1HB HIS 34 251.208 -1.649 -4.826 302 HB3 HIS 34 2HB HIS 34 251.957 -3.135 -4.251 303 HD2 HIS 34 HD2 HIS 34 254.557 -2.960 -6.309 304 HE1 HIS 34 HE1 HIS 34 255.340 0.525 -4.052 305 HE2 HIS 34 HE2 HIS 34 256.374 -1.348 -5.413 306 H ASN 35 H ASN 35 249.366 -3.334 -5.260 307 HA ASN 35 HA ASN 35 249.203 -6.229 -5.676 308 HB2 ASN 35 1HB ASN 35 248.871 -4.779 -3.049 309 HB3 ASN 35 2HB ASN 35 248.225 -6.391 -3.325 310 HD21 ASN 35 1HD2 ASN 35 250.507 -7.186 -4.990 311 HD22 ASN 35 2HD2 ASN 35 251.822 -7.431 -3.900 312 H ILE 36 H ILE 36 247.192 -6.962 -6.109 313 HA ILE 36 HA ILE 36 245.448 -5.039 -7.231 314 HB ILE 36 HB ILE 36 245.803 -7.227 -8.250 315 HG12 ILE 36 1HG1 ILE 36 243.415 -7.801 -8.712 316 HG13 ILE 36 2HG1 ILE 36 242.942 -6.703 -7.420 317 HG21 ILE 36 1HG2 ILE 36 246.008 -8.596 -6.272 318 HG22 ILE 36 2HG2 ILE 36 244.740 -9.237 -7.315 319 HG23 ILE 36 3HG2 ILE 36 244.314 -8.319 -5.871 320 HD11 ILE 36 1HD1 ILE 36 243.908 -4.835 -8.636 321 HD12 ILE 36 2HD1 ILE 36 242.708 -5.678 -9.616 322 HD13 ILE 36 3HD1 ILE 36 244.427 -5.928 -9.919 323 H ASP 37 H ASP 37 245.378 -6.758 -4.178 324 HA ASP 37 HA ASP 37 243.232 -5.147 -3.215 325 HB2 ASP 37 1HB ASP 37 241.862 -6.683 -4.501 326 HB3 ASP 37 2HB ASP 37 242.648 -8.065 -3.748 327 H MET 38 H MET 38 244.729 -8.333 -2.671 328 HA MET 38 HA MET 38 245.126 -7.560 0.128 329 HB2 MET 38 1HB MET 38 245.354 -10.245 -1.244 330 HB3 MET 38 2HB MET 38 245.790 -9.966 0.435 331 HG2 MET 38 1HG MET 38 243.056 -9.553 -0.753 332 HG3 MET 38 2HG MET 38 243.561 -10.942 0.208 333 HE1 MET 38 1HE MET 38 240.978 -9.207 0.896 334 HE2 MET 38 2HE MET 38 241.144 -9.080 2.647 335 HE3 MET 38 3HE MET 38 241.518 -10.598 1.835 336 H CYS 39 H CYS 39 247.167 -7.510 1.031 337 HA CYS 39 HA CYS 39 249.221 -6.747 -0.826 338 HB2 CYS 39 1HB CYS 39 250.374 -5.870 0.997 339 HB3 CYS 39 2HB CYS 39 248.703 -5.737 1.529 340 H GLN 40 H GLN 40 251.367 -7.632 -0.813 341 HA GLN 40 HA GLN 40 251.312 -10.407 -1.273 342 HB2 GLN 40 1HB GLN 40 252.795 -8.843 -2.465 343 HB3 GLN 40 2HB GLN 40 253.703 -8.583 -0.982 344 HG2 GLN 40 1HG GLN 40 254.368 -10.918 -0.962 345 HG3 GLN 40 2HG GLN 40 253.431 -11.208 -2.426 346 HE21 GLN 40 1HE2 GLN 40 254.171 -10.385 -4.385 347 HE22 GLN 40 2HE2 GLN 40 255.807 -9.872 -4.599 348 H SER 41 H SER 41 251.942 -8.605 1.591 349 HA SER 41 HA SER 41 253.517 -10.620 2.884 350 HB2 SER 41 1HB SER 41 253.640 -8.221 3.511 351 HB3 SER 41 2HB SER 41 251.990 -8.319 4.121 352 HG SER 41 HG SER 41 252.667 -9.736 5.702 353 H CYS 42 H CYS 42 250.206 -10.249 2.221 354 HA CYS 42 HA CYS 42 249.495 -12.208 4.294 355 HB2 CYS 42 1HB CYS 42 247.755 -10.385 2.621 356 HB3 CYS 42 2HB CYS 42 247.121 -11.637 3.681 357 H PHE 43 H PHE 43 247.243 -13.298 3.037 358 HA PHE 43 HA PHE 43 248.457 -15.331 1.530 359 HB2 PHE 43 1HB PHE 43 246.239 -16.253 1.243 360 HB3 PHE 43 2HB PHE 43 246.421 -15.670 2.889 361 HD1 PHE 43 HD1 PHE 43 245.414 -13.369 3.442 362 HD2 PHE 43 HD2 PHE 43 244.457 -15.584 -0.065 363 HE1 PHE 43 HE1 PHE 43 243.334 -12.079 3.195 364 HE2 PHE 43 HE2 PHE 43 242.380 -14.294 -0.318 365 HZ PHE 43 HZ PHE 43 241.816 -12.541 1.313 Start of MODEL 4 1 H1 VAL 1 1H VAL 1 242.373 13.770 12.843 2 H2 VAL 1 2H VAL 1 241.582 12.752 13.937 3 H3 VAL 1 3H VAL 1 241.413 12.501 12.274 4 HA VAL 1 HA VAL 1 243.921 12.232 13.818 5 HB VAL 1 HB VAL 1 243.747 9.814 13.240 6 HG11 VAL 1 1HG1 VAL 1 243.070 10.589 15.449 7 HG12 VAL 1 2HG1 VAL 1 242.053 9.249 14.920 8 HG13 VAL 1 3HG1 VAL 1 241.439 10.900 14.854 9 HG21 VAL 1 1HG2 VAL 1 242.247 10.008 11.316 10 HG22 VAL 1 2HG2 VAL 1 240.938 10.516 12.385 11 HG23 VAL 1 3HG2 VAL 1 241.605 8.889 12.519 12 H MET 2 H MET 2 245.760 11.810 12.619 13 HA MET 2 HA MET 2 245.649 12.661 9.877 14 HB2 MET 2 1HB MET 2 248.103 12.391 9.891 15 HB3 MET 2 2HB MET 2 247.531 13.390 11.215 16 HG2 MET 2 1HG MET 2 247.843 11.593 12.776 17 HG3 MET 2 2HG MET 2 248.256 10.483 11.472 18 HE1 MET 2 1HE MET 2 250.471 9.774 12.759 19 HE2 MET 2 2HE MET 2 250.051 10.874 14.071 20 HE3 MET 2 3HE MET 2 251.663 10.927 13.358 21 H LYS 3 H LYS 3 244.993 11.339 8.361 22 HA LYS 3 HA LYS 3 245.338 8.474 8.649 23 HB2 LYS 3 1HB LYS 3 243.955 10.092 6.501 24 HB3 LYS 3 2HB LYS 3 243.973 8.337 6.584 25 HG2 LYS 3 1HG LYS 3 242.827 10.129 8.716 26 HG3 LYS 3 2HG LYS 3 241.885 9.355 7.442 27 HD2 LYS 3 1HD LYS 3 243.612 7.815 9.365 28 HD3 LYS 3 2HD LYS 3 241.918 8.178 9.683 29 HE2 LYS 3 1HE LYS 3 242.933 6.696 7.259 30 HE3 LYS 3 2HE LYS 3 242.293 5.924 8.708 31 HZ1 LYS 3 1HZ LYS 3 240.193 7.102 8.323 32 HZ2 LYS 3 2HZ LYS 3 240.589 6.072 7.047 33 HZ3 LYS 3 3HZ LYS 3 240.810 7.738 6.883 34 H LYS 4 H LYS 4 247.644 8.618 8.546 35 HA LYS 4 HA LYS 4 249.007 9.478 6.217 36 HB2 LYS 4 1HB LYS 4 249.831 7.607 8.437 37 HB3 LYS 4 2HB LYS 4 250.913 8.135 7.157 38 HG2 LYS 4 1HG LYS 4 249.538 9.936 9.141 39 HG3 LYS 4 2HG LYS 4 251.227 9.425 9.205 40 HD2 LYS 4 1HD LYS 4 251.597 10.498 7.008 41 HD3 LYS 4 2HD LYS 4 249.927 11.069 7.032 42 HE2 LYS 4 1HE LYS 4 250.392 12.342 9.067 43 HE3 LYS 4 2HE LYS 4 252.058 11.767 9.046 44 HZ1 LYS 4 1HZ LYS 4 251.913 13.965 8.104 45 HZ2 LYS 4 2HZ LYS 4 250.767 13.454 6.973 46 HZ3 LYS 4 3HZ LYS 4 252.350 12.864 6.898 47 H ARG 5 H ARG 5 247.313 6.619 7.048 48 HA ARG 5 HA ARG 5 248.510 5.037 4.942 49 HB2 ARG 5 1HB ARG 5 246.182 4.470 6.783 50 HB3 ARG 5 2HB ARG 5 246.815 3.329 5.603 51 HG2 ARG 5 1HG ARG 5 249.013 3.447 6.747 52 HG3 ARG 5 2HG ARG 5 248.267 4.459 7.983 53 HD2 ARG 5 1HD ARG 5 246.693 2.641 8.496 54 HD3 ARG 5 2HD ARG 5 247.480 1.632 7.281 55 HE ARG 5 HE ARG 5 249.282 2.654 9.274 56 HH11 ARG 5 1HH1 ARG 5 247.075 0.054 8.476 57 HH12 ARG 5 2HH1 ARG 5 247.798 -1.062 9.595 58 HH21 ARG 5 1HH2 ARG 5 250.240 1.179 10.718 59 HH22 ARG 5 2HH2 ARG 5 249.598 -0.425 10.865 60 H THR 6 H THR 6 247.580 7.326 3.887 61 HA THR 6 HA THR 6 245.202 6.518 2.356 62 HB THR 6 HB THR 6 246.583 9.214 2.477 63 HG1 THR 6 HG1 THR 6 245.565 9.059 4.393 64 HG21 THR 6 1HG2 THR 6 244.590 10.061 1.341 65 HG22 THR 6 2HG2 THR 6 243.939 8.426 1.250 66 HG23 THR 6 3HG2 THR 6 245.405 8.841 0.362 67 H TYR 7 H TYR 7 248.551 6.746 2.331 68 HA TYR 7 HA TYR 7 248.705 6.607 -0.593 69 HB2 TYR 7 1HB TYR 7 250.728 7.394 1.501 70 HB3 TYR 7 2HB TYR 7 251.189 7.023 -0.159 71 HD1 TYR 7 HD1 TYR 7 250.644 8.507 -1.961 72 HD2 TYR 7 HD2 TYR 7 249.410 9.403 2.007 73 HE1 TYR 7 HE1 TYR 7 250.135 10.802 -2.647 74 HE2 TYR 7 HE2 TYR 7 248.888 11.708 1.327 75 HH TYR 7 HH TYR 7 249.556 13.301 -0.456 76 H CYS 8 H CYS 8 249.743 4.937 -1.571 77 HA CYS 8 HA CYS 8 249.337 2.413 -0.519 78 HB2 CYS 8 1HB CYS 8 249.470 2.702 -2.865 79 HB3 CYS 8 2HB CYS 8 251.089 3.378 -2.766 80 H THR 9 H THR 9 250.352 1.192 0.856 81 HA THR 9 HA THR 9 252.689 2.069 2.204 82 HB THR 9 HB THR 9 251.323 -0.624 2.327 83 HG1 THR 9 HG1 THR 9 250.658 1.899 3.277 84 HG21 THR 9 1HG2 THR 9 253.492 -0.692 3.385 85 HG22 THR 9 2HG2 THR 9 252.246 -0.657 4.634 86 HG23 THR 9 3HG2 THR 9 253.155 0.804 4.255 87 H TYR 10 H TYR 10 252.128 -0.120 -0.455 88 HA TYR 10 HA TYR 10 254.724 -1.344 -0.309 89 HB2 TYR 10 1HB TYR 10 252.488 -1.408 -2.306 90 HB3 TYR 10 2HB TYR 10 254.069 -2.061 -2.722 91 HD1 TYR 10 HD1 TYR 10 251.730 -2.233 0.201 92 HD2 TYR 10 HD2 TYR 10 254.256 -4.333 -2.501 93 HE1 TYR 10 HE1 TYR 10 251.149 -4.342 1.310 94 HE2 TYR 10 HE2 TYR 10 253.679 -6.455 -1.399 95 HH TYR 10 HH TYR 10 252.857 -7.111 1.008 96 H CYS 11 H CYS 11 253.422 1.537 -1.573 97 HA CYS 11 HA CYS 11 255.663 2.036 -3.352 98 HB2 CYS 11 1HB CYS 11 253.131 3.493 -2.678 99 HB3 CYS 11 2HB CYS 11 254.459 4.366 -3.429 100 HA PRO 12 HA PRO 12 258.115 4.055 -0.198 101 HB2 PRO 12 1HB PRO 12 259.192 5.667 -2.420 102 HB3 PRO 12 2HB PRO 12 260.036 4.590 -1.308 103 HG2 PRO 12 1HG PRO 12 259.637 3.948 -3.892 104 HG3 PRO 12 2HG PRO 12 259.650 2.729 -2.605 105 HD2 PRO 12 1HD PRO 12 257.338 3.929 -4.060 106 HD3 PRO 12 2HD PRO 12 257.572 2.267 -3.480 107 H SER 13 H SER 13 257.936 5.911 0.966 108 HA SER 13 HA SER 13 255.675 7.510 0.595 109 HB2 SER 13 1HB SER 13 258.085 8.108 2.319 110 HB3 SER 13 2HB SER 13 256.470 8.789 2.506 111 HG SER 13 HG SER 13 255.969 7.097 3.616 112 H LYS 14 H LYS 14 258.916 7.911 -0.581 113 HA LYS 14 HA LYS 14 258.690 10.704 -1.156 114 HB2 LYS 14 1HB LYS 14 260.583 8.599 -2.205 115 HB3 LYS 14 2HB LYS 14 260.706 10.310 -2.587 116 HG2 LYS 14 1HG LYS 14 260.893 9.120 0.170 117 HG3 LYS 14 2HG LYS 14 262.254 9.649 -0.819 118 HD2 LYS 14 1HD LYS 14 261.288 11.933 -0.837 119 HD3 LYS 14 2HD LYS 14 260.022 11.371 0.256 120 HE2 LYS 14 1HE LYS 14 261.801 12.501 1.481 121 HE3 LYS 14 2HE LYS 14 261.706 10.799 1.926 122 HZ1 LYS 14 1HZ LYS 14 263.581 10.335 0.513 123 HZ2 LYS 14 2HZ LYS 14 263.993 11.564 1.597 124 HZ3 LYS 14 3HZ LYS 14 263.643 11.941 -0.013 125 H ILE 15 H ILE 15 257.549 7.858 -2.662 126 HA ILE 15 HA ILE 15 257.305 9.011 -5.301 127 HB ILE 15 HB ILE 15 256.096 6.490 -4.146 128 HG12 ILE 15 1HG1 ILE 15 258.514 6.359 -4.188 129 HG13 ILE 15 2HG1 ILE 15 257.859 5.343 -5.467 130 HG21 ILE 15 1HG2 ILE 15 255.655 5.820 -6.443 131 HG22 ILE 15 2HG2 ILE 15 256.285 7.360 -7.025 132 HG23 ILE 15 3HG2 ILE 15 254.813 7.321 -6.056 133 HD11 ILE 15 1HD1 ILE 15 259.078 8.072 -5.794 134 HD12 ILE 15 2HD1 ILE 15 258.353 7.122 -7.090 135 HD13 ILE 15 3HD1 ILE 15 259.792 6.529 -6.261 136 H ARG 16 H ARG 16 255.358 8.608 -2.429 137 HA ARG 16 HA ARG 16 253.296 9.360 -1.825 138 HB2 ARG 16 1HB ARG 16 254.067 11.485 -3.825 139 HB3 ARG 16 2HB ARG 16 252.651 11.597 -2.788 140 HG2 ARG 16 1HG ARG 16 254.004 11.618 -0.822 141 HG3 ARG 16 2HG ARG 16 255.457 11.268 -1.759 142 HD2 ARG 16 1HD ARG 16 255.261 13.411 -2.890 143 HD3 ARG 16 2HD ARG 16 253.774 13.756 -2.008 144 HE ARG 16 HE ARG 16 255.354 13.481 0.035 145 HH11 ARG 16 1HH1 ARG 16 256.172 14.943 -3.036 146 HH12 ARG 16 2HH1 ARG 16 257.330 16.036 -2.354 147 HH21 ARG 16 1HH2 ARG 16 256.869 14.934 0.943 148 HH22 ARG 16 2HH2 ARG 16 257.714 16.043 -0.088 149 H ARG 17 H ARG 17 252.993 7.284 -3.347 150 HA ARG 17 HA ARG 17 251.152 7.867 -5.525 151 HB2 ARG 17 1HB ARG 17 252.773 6.153 -5.985 152 HB3 ARG 17 2HB ARG 17 252.409 5.325 -4.481 153 HG2 ARG 17 1HG ARG 17 251.480 4.089 -6.306 154 HG3 ARG 17 2HG ARG 17 250.168 4.782 -5.353 155 HD2 ARG 17 1HD ARG 17 249.831 6.513 -6.990 156 HD3 ARG 17 2HD ARG 17 251.246 5.987 -7.900 157 HE ARG 17 HE ARG 17 250.026 3.911 -8.386 158 HH11 ARG 17 1HH1 ARG 17 248.185 6.718 -7.360 159 HH12 ARG 17 2HH1 ARG 17 246.713 6.169 -8.082 160 HH21 ARG 17 1HH2 ARG 17 248.093 3.196 -9.350 161 HH22 ARG 17 2HH2 ARG 17 246.656 4.176 -9.225 162 H LYS 18 H LYS 18 249.075 8.134 -5.072 163 HA LYS 18 HA LYS 18 247.896 7.643 -2.577 164 HB2 LYS 18 1HB LYS 18 246.736 8.139 -5.310 165 HB3 LYS 18 2HB LYS 18 245.697 7.799 -3.938 166 HG2 LYS 18 1HG LYS 18 245.737 10.134 -4.143 167 HG3 LYS 18 2HG LYS 18 246.802 9.767 -2.788 168 HD2 LYS 18 1HD LYS 18 248.729 10.228 -4.032 169 HD3 LYS 18 2HD LYS 18 247.869 10.113 -5.568 170 HE2 LYS 18 1HE LYS 18 248.411 12.438 -4.977 171 HE3 LYS 18 2HE LYS 18 246.677 12.164 -5.099 172 HZ1 LYS 18 1HZ LYS 18 247.177 13.508 -3.185 173 HZ2 LYS 18 2HZ LYS 18 248.250 12.350 -2.581 174 HZ3 LYS 18 3HZ LYS 18 246.597 12.008 -2.669 175 H ALA 19 H ALA 19 246.647 5.995 -1.783 176 HA ALA 19 HA ALA 19 246.927 3.427 -3.111 177 HB1 ALA 19 1HB ALA 19 247.354 3.622 -0.697 178 HB2 ALA 19 2HB ALA 19 246.064 2.477 -1.061 179 HB3 ALA 19 3HB ALA 19 245.670 4.085 -0.451 180 H ASN 20 H ASN 20 245.262 2.207 -3.899 181 HA ASN 20 HA ASN 20 242.701 3.627 -4.220 182 HB2 ASN 20 1HB ASN 20 243.775 1.481 -6.058 183 HB3 ASN 20 2HB ASN 20 242.435 2.583 -6.355 184 HD21 ASN 20 1HD2 ASN 20 242.893 4.774 -6.822 185 HD22 ASN 20 2HD2 ASN 20 244.448 5.250 -7.404 186 H ALA 21 H ALA 21 244.209 0.971 -2.844 187 HA ALA 21 HA ALA 21 241.626 -0.236 -2.211 188 HB1 ALA 21 1HB ALA 21 242.458 -1.563 -4.066 189 HB2 ALA 21 2HB ALA 21 242.542 -2.500 -2.575 190 HB3 ALA 21 3HB ALA 21 244.002 -1.781 -3.248 191 H SER 22 H SER 22 241.987 -1.939 -0.424 192 HA SER 22 HA SER 22 244.233 -1.260 1.306 193 HB2 SER 22 1HB SER 22 241.379 -1.121 2.292 194 HB3 SER 22 2HB SER 22 242.841 -0.732 3.200 195 HG SER 22 HG SER 22 242.975 0.775 1.099 196 H CYS 23 H CYS 23 245.000 -3.000 2.315 197 HA CYS 23 HA CYS 23 243.671 -5.538 2.024 198 HB2 CYS 23 1HB CYS 23 246.129 -5.312 1.841 199 HB3 CYS 23 2HB CYS 23 246.192 -4.814 3.527 200 H LYS 24 H LYS 24 241.923 -5.774 3.257 201 HA LYS 24 HA LYS 24 241.340 -4.427 5.616 202 HB2 LYS 24 1HB LYS 24 239.684 -5.522 4.143 203 HB3 LYS 24 2HB LYS 24 240.261 -7.092 4.681 204 HG2 LYS 24 1HG LYS 24 238.244 -6.578 5.848 205 HG3 LYS 24 2HG LYS 24 239.588 -6.491 6.990 206 HD2 LYS 24 1HD LYS 24 239.613 -4.063 6.799 207 HD3 LYS 24 2HD LYS 24 238.309 -4.129 5.612 208 HE2 LYS 24 1HE LYS 24 236.855 -5.162 7.309 209 HE3 LYS 24 2HE LYS 24 238.156 -5.019 8.489 210 HZ1 LYS 24 1HZ LYS 24 236.548 -3.219 8.674 211 HZ2 LYS 24 2HZ LYS 24 236.865 -2.747 7.082 212 HZ3 LYS 24 3HZ LYS 24 238.075 -2.629 8.256 213 H LYS 25 H LYS 25 243.106 -7.392 5.123 214 HA LYS 25 HA LYS 25 242.709 -8.451 7.717 215 HB2 LYS 25 1HB LYS 25 244.775 -9.062 5.615 216 HB3 LYS 25 2HB LYS 25 244.625 -9.958 7.122 217 HG2 LYS 25 1HG LYS 25 242.305 -10.524 6.518 218 HG3 LYS 25 2HG LYS 25 242.532 -9.703 4.977 219 HD2 LYS 25 1HD LYS 25 244.300 -11.260 4.385 220 HD3 LYS 25 2HD LYS 25 244.141 -12.056 5.954 221 HE2 LYS 25 1HE LYS 25 242.036 -11.900 3.801 222 HE3 LYS 25 2HE LYS 25 242.977 -13.323 4.237 223 HZ1 LYS 25 1HZ LYS 25 241.062 -11.916 6.013 224 HZ2 LYS 25 2HZ LYS 25 241.954 -13.292 6.420 225 HZ3 LYS 25 3HZ LYS 25 240.774 -13.376 5.215 226 H CYS 26 H CYS 26 245.115 -6.216 6.455 227 HA CYS 26 HA CYS 26 246.287 -6.189 9.160 228 HB2 CYS 26 1HB CYS 26 248.487 -5.758 8.201 229 HB3 CYS 26 2HB CYS 26 247.829 -7.270 7.583 230 H LYS 27 H LYS 27 244.618 -4.458 6.906 231 HA LYS 27 HA LYS 27 243.935 -2.317 6.769 232 HB2 LYS 27 1HB LYS 27 245.391 -2.072 9.400 233 HB3 LYS 27 2HB LYS 27 244.472 -0.760 8.676 234 HG2 LYS 27 1HG LYS 27 243.297 -3.447 9.355 235 HG3 LYS 27 2HG LYS 27 243.260 -2.054 10.435 236 HD2 LYS 27 1HD LYS 27 242.194 -1.856 7.639 237 HD3 LYS 27 2HD LYS 27 241.211 -2.542 8.928 238 HE2 LYS 27 1HE LYS 27 240.682 -0.206 8.680 239 HE3 LYS 27 2HE LYS 27 241.503 -0.453 10.217 240 HZ1 LYS 27 1HZ LYS 27 242.252 1.529 8.976 241 HZ2 LYS 27 2HZ LYS 27 242.842 0.522 7.755 242 HZ3 LYS 27 3HZ LYS 27 243.502 0.442 9.307 243 H LYS 28 H LYS 28 246.519 -3.206 5.634 244 HA LYS 28 HA LYS 28 247.894 -0.630 5.425 245 HB2 LYS 28 1HB LYS 28 248.614 -3.382 4.407 246 HB3 LYS 28 2HB LYS 28 249.504 -1.935 3.963 247 HG2 LYS 28 1HG LYS 28 249.983 -1.552 6.367 248 HG3 LYS 28 2HG LYS 28 249.203 -3.096 6.724 249 HD2 LYS 28 1HD LYS 28 250.822 -4.276 5.381 250 HD3 LYS 28 2HD LYS 28 251.550 -2.757 4.861 251 HE2 LYS 28 1HE LYS 28 252.934 -3.708 6.568 252 HE3 LYS 28 2HE LYS 28 252.125 -2.295 7.240 253 HZ1 LYS 28 1HZ LYS 28 250.514 -3.772 8.282 254 HZ2 LYS 28 2HZ LYS 28 252.084 -4.127 8.790 255 HZ3 LYS 28 3HZ LYS 28 251.320 -5.121 7.657 256 H VAL 29 H VAL 29 247.867 0.576 3.584 257 HA VAL 29 HA VAL 29 245.776 -0.157 1.683 258 HB VAL 29 HB VAL 29 245.861 2.232 0.996 259 HG11 VAL 29 1HG1 VAL 29 245.403 1.702 3.928 260 HG12 VAL 29 2HG1 VAL 29 244.234 1.469 2.627 261 HG13 VAL 29 3HG1 VAL 29 244.791 3.093 3.033 262 HG21 VAL 29 1HG2 VAL 29 247.065 3.829 2.398 263 HG22 VAL 29 2HG2 VAL 29 248.179 2.699 1.628 264 HG23 VAL 29 3HG2 VAL 29 247.755 2.500 3.329 265 H ILE 30 H ILE 30 246.067 0.026 -0.573 266 HA ILE 30 HA ILE 30 248.854 -0.029 -1.485 267 HB ILE 30 HB ILE 30 248.236 -2.122 -2.836 268 HG12 ILE 30 1HG1 ILE 30 246.032 -2.095 -0.769 269 HG13 ILE 30 2HG1 ILE 30 245.870 -2.215 -2.514 270 HG21 ILE 30 1HG2 ILE 30 249.847 -2.125 -1.013 271 HG22 ILE 30 2HG2 ILE 30 248.881 -3.601 -0.989 272 HG23 ILE 30 3HG2 ILE 30 248.540 -2.307 0.159 273 HD11 ILE 30 1HD1 ILE 30 246.957 -4.443 -2.396 274 HD12 ILE 30 2HD1 ILE 30 245.416 -4.347 -1.545 275 HD13 ILE 30 3HD1 ILE 30 246.930 -4.311 -0.640 276 H CYS 31 H CYS 31 249.134 0.250 -3.746 277 HA CYS 31 HA CYS 31 247.008 1.847 -4.948 278 HB2 CYS 31 1HB CYS 31 248.672 2.682 -6.462 279 HB3 CYS 31 2HB CYS 31 249.389 2.679 -4.857 280 H ARG 32 H ARG 32 246.758 1.602 -7.412 281 HA ARG 32 HA ARG 32 245.723 -0.907 -7.986 282 HB2 ARG 32 1HB ARG 32 246.644 1.249 -9.884 283 HB3 ARG 32 2HB ARG 32 245.756 -0.180 -10.390 284 HG2 ARG 32 1HG ARG 32 244.779 1.943 -8.494 285 HG3 ARG 32 2HG ARG 32 244.279 1.725 -10.170 286 HD2 ARG 32 1HD ARG 32 243.843 -0.217 -7.900 287 HD3 ARG 32 2HD ARG 32 242.620 0.803 -8.650 288 HE ARG 32 HE ARG 32 243.543 -0.625 -10.739 289 HH11 ARG 32 1HH1 ARG 32 242.431 -1.545 -7.555 290 HH12 ARG 32 2HH1 ARG 32 241.823 -3.083 -8.069 291 HH21 ARG 32 1HH2 ARG 32 242.729 -2.651 -11.428 292 HH22 ARG 32 2HH2 ARG 32 242.004 -3.719 -10.269 293 H GLU 33 H GLU 33 248.955 0.320 -8.570 294 HA GLU 33 HA GLU 33 249.714 -1.853 -10.270 295 HB2 GLU 33 1HB GLU 33 251.489 0.092 -8.793 296 HB3 GLU 33 2HB GLU 33 251.974 -0.952 -10.118 297 HG2 GLU 33 1HG GLU 33 251.714 1.099 -11.139 298 HG3 GLU 33 2HG GLU 33 250.179 0.301 -11.473 299 H HIS 34 H HIS 34 249.284 -1.571 -6.941 300 HA HIS 34 HA HIS 34 251.104 -3.840 -6.448 301 HB2 HIS 34 1HB HIS 34 250.648 -1.388 -4.749 302 HB3 HIS 34 2HB HIS 34 251.331 -2.867 -4.091 303 HD2 HIS 34 HD2 HIS 34 253.323 -3.369 -6.765 304 HE1 HIS 34 HE1 HIS 34 255.078 0.178 -5.265 305 HE2 HIS 34 HE2 HIS 34 255.485 -1.943 -6.600 306 H ASN 35 H ASN 35 248.002 -3.419 -6.829 307 HA ASN 35 HA ASN 35 247.276 -4.555 -4.230 308 HB2 ASN 35 1HB ASN 35 244.962 -3.800 -4.598 309 HB3 ASN 35 2HB ASN 35 246.119 -2.486 -4.534 310 HD21 ASN 35 1HD2 ASN 35 245.736 -4.428 -7.443 311 HD22 ASN 35 2HD2 ASN 35 244.960 -3.189 -8.368 312 H ILE 36 H ILE 36 246.324 -6.407 -3.976 313 HA ILE 36 HA ILE 36 244.857 -7.569 -6.244 314 HB ILE 36 HB ILE 36 245.310 -9.833 -5.316 315 HG12 ILE 36 1HG1 ILE 36 247.345 -8.418 -3.578 316 HG13 ILE 36 2HG1 ILE 36 245.847 -9.139 -3.002 317 HG21 ILE 36 1HG2 ILE 36 247.613 -10.029 -6.130 318 HG22 ILE 36 2HG2 ILE 36 247.774 -8.274 -6.074 319 HG23 ILE 36 3HG2 ILE 36 246.624 -9.018 -7.185 320 HD11 ILE 36 1HD1 ILE 36 247.756 -10.571 -2.559 321 HD12 ILE 36 2HD1 ILE 36 248.138 -10.615 -4.280 322 HD13 ILE 36 3HD1 ILE 36 246.642 -11.339 -3.690 323 H ASP 37 H ASP 37 243.984 -5.703 -4.452 324 HA ASP 37 HA ASP 37 242.417 -5.106 -2.945 325 HB2 ASP 37 1HB ASP 37 241.014 -6.882 -4.051 326 HB3 ASP 37 2HB ASP 37 241.547 -7.994 -2.792 327 H MET 38 H MET 38 243.750 -8.241 -2.077 328 HA MET 38 HA MET 38 244.264 -7.354 0.653 329 HB2 MET 38 1HB MET 38 243.427 -9.657 0.218 330 HB3 MET 38 2HB MET 38 244.849 -9.978 -0.761 331 HG2 MET 38 1HG MET 38 246.274 -9.782 1.178 332 HG3 MET 38 2HG MET 38 244.892 -9.342 2.181 333 HE1 MET 38 1HE MET 38 244.868 -12.078 -0.670 334 HE2 MET 38 2HE MET 38 245.400 -13.498 0.230 335 HE3 MET 38 3HE MET 38 246.508 -12.151 -0.026 336 H CYS 39 H CYS 39 246.585 -7.636 1.452 337 HA CYS 39 HA CYS 39 248.426 -6.768 -0.646 338 HB2 CYS 39 1HB CYS 39 249.782 -5.856 1.000 339 HB3 CYS 39 2HB CYS 39 248.194 -5.670 1.731 340 H GLN 40 H GLN 40 250.512 -7.785 -0.845 341 HA GLN 40 HA GLN 40 250.170 -10.605 -1.059 342 HB2 GLN 40 1HB GLN 40 252.602 -8.888 -1.572 343 HB3 GLN 40 2HB GLN 40 252.442 -10.578 -2.027 344 HG2 GLN 40 1HG GLN 40 250.584 -10.019 -3.497 345 HG3 GLN 40 2HG GLN 40 250.721 -8.324 -3.033 346 HE21 GLN 40 1HE2 GLN 40 252.472 -7.119 -3.772 347 HE22 GLN 40 2HE2 GLN 40 253.449 -7.637 -5.100 348 H SER 41 H SER 41 251.185 -8.661 1.464 349 HA SER 41 HA SER 41 253.011 -10.574 2.624 350 HB2 SER 41 1HB SER 41 251.777 -8.090 3.831 351 HB3 SER 41 2HB SER 41 253.140 -9.001 4.484 352 HG SER 41 HG SER 41 254.221 -8.520 2.438 353 H CYS 42 H CYS 42 249.628 -10.074 2.543 354 HA CYS 42 HA CYS 42 249.269 -11.945 4.789 355 HB2 CYS 42 1HB CYS 42 247.227 -10.232 3.350 356 HB3 CYS 42 2HB CYS 42 246.845 -11.383 4.622 357 H PHE 43 H PHE 43 249.857 -12.061 1.636 358 HA PHE 43 HA PHE 43 247.780 -13.861 0.763 359 HB2 PHE 43 1HB PHE 43 248.851 -12.245 -0.787 360 HB3 PHE 43 2HB PHE 43 250.378 -13.095 -0.592 361 HD1 PHE 43 HD1 PHE 43 247.007 -13.253 -2.020 362 HD2 PHE 43 HD2 PHE 43 250.787 -15.181 -1.707 363 HE1 PHE 43 HE1 PHE 43 246.406 -14.730 -3.893 364 HE2 PHE 43 HE2 PHE 43 250.192 -16.660 -3.577 365 HZ PHE 43 HZ PHE 43 247.999 -16.435 -4.675 Start of MODEL 5 1 H1 VAL 1 1H VAL 1 250.485 2.529 12.383 2 H2 VAL 1 2H VAL 1 250.322 2.269 10.721 3 H3 VAL 1 3H VAL 1 249.159 1.668 11.785 4 HA VAL 1 HA VAL 1 248.490 3.869 12.394 5 HB VAL 1 HB VAL 1 250.573 5.054 12.175 6 HG11 VAL 1 1HG1 VAL 1 250.386 4.532 9.212 7 HG12 VAL 1 2HG1 VAL 1 251.571 3.854 10.328 8 HG13 VAL 1 3HG1 VAL 1 251.570 5.584 9.988 9 HG21 VAL 1 1HG2 VAL 1 248.572 6.404 11.938 10 HG22 VAL 1 2HG2 VAL 1 248.553 6.109 10.200 11 HG23 VAL 1 3HG2 VAL 1 249.862 7.045 10.921 12 H MET 2 H MET 2 246.494 3.721 11.599 13 HA MET 2 HA MET 2 246.175 3.063 8.766 14 HB2 MET 2 1HB MET 2 243.903 2.400 9.298 15 HB3 MET 2 2HB MET 2 245.028 1.615 10.395 16 HG2 MET 2 1HG MET 2 244.471 3.204 12.139 17 HG3 MET 2 2HG MET 2 243.386 4.053 11.041 18 HE1 MET 2 1HE MET 2 242.668 -0.257 12.543 19 HE2 MET 2 2HE MET 2 244.097 0.701 12.930 20 HE3 MET 2 3HE MET 2 243.842 0.125 11.284 21 H LYS 3 H LYS 3 246.031 5.760 10.780 22 HA LYS 3 HA LYS 3 244.056 7.098 9.108 23 HB2 LYS 3 1HB LYS 3 244.187 8.983 10.618 24 HB3 LYS 3 2HB LYS 3 243.936 7.508 11.535 25 HG2 LYS 3 1HG LYS 3 246.735 8.386 11.196 26 HG3 LYS 3 2HG LYS 3 245.704 9.390 12.216 27 HD2 LYS 3 1HD LYS 3 245.071 7.309 13.464 28 HD3 LYS 3 2HD LYS 3 246.309 6.458 12.543 29 HE2 LYS 3 1HE LYS 3 248.025 7.917 13.437 30 HE3 LYS 3 2HE LYS 3 246.808 8.868 14.285 31 HZ1 LYS 3 1HZ LYS 3 246.272 6.938 15.623 32 HZ2 LYS 3 2HZ LYS 3 247.915 7.309 15.759 33 HZ3 LYS 3 3HZ LYS 3 247.421 6.008 14.799 34 H LYS 4 H LYS 4 244.534 9.153 8.123 35 HA LYS 4 HA LYS 4 245.630 10.280 6.497 36 HB2 LYS 4 1HB LYS 4 247.901 9.902 8.447 37 HB3 LYS 4 2HB LYS 4 248.017 10.911 7.010 38 HG2 LYS 4 1HG LYS 4 246.104 11.297 9.302 39 HG3 LYS 4 2HG LYS 4 247.549 12.255 8.970 40 HD2 LYS 4 1HD LYS 4 246.560 12.922 6.802 41 HD3 LYS 4 2HD LYS 4 245.096 12.034 7.226 42 HE2 LYS 4 1HE LYS 4 244.825 13.477 9.202 43 HE3 LYS 4 2HE LYS 4 246.253 14.387 8.711 44 HZ1 LYS 4 1HZ LYS 4 243.728 14.133 7.169 45 HZ2 LYS 4 2HZ LYS 4 245.105 14.966 6.649 46 HZ3 LYS 4 3HZ LYS 4 244.254 15.506 8.005 47 H ARG 5 H ARG 5 245.180 7.847 5.737 48 HA ARG 5 HA ARG 5 247.679 6.954 4.468 49 HB2 ARG 5 1HB ARG 5 245.388 5.345 5.562 50 HB3 ARG 5 2HB ARG 5 246.520 4.676 4.400 51 HG2 ARG 5 1HG ARG 5 247.391 5.886 7.005 52 HG3 ARG 5 2HG ARG 5 246.978 4.182 6.829 53 HD2 ARG 5 1HD ARG 5 249.340 4.348 6.621 54 HD3 ARG 5 2HD ARG 5 248.701 4.049 5.009 55 HE ARG 5 HE ARG 5 249.197 6.828 5.740 56 HH11 ARG 5 1HH1 ARG 5 250.277 3.962 4.040 57 HH12 ARG 5 2HH1 ARG 5 251.428 4.819 3.066 58 HH21 ARG 5 1HH2 ARG 5 250.731 7.956 4.466 59 HH22 ARG 5 2HH2 ARG 5 251.701 7.086 3.319 60 H THR 6 H THR 6 246.761 8.733 3.023 61 HA THR 6 HA THR 6 244.710 7.867 1.174 62 HB THR 6 HB THR 6 246.554 10.259 0.983 63 HG1 THR 6 HG1 THR 6 244.061 9.898 2.305 64 HG21 THR 6 1HG2 THR 6 244.776 11.198 -0.427 65 HG22 THR 6 2HG2 THR 6 243.866 9.694 -0.277 66 HG23 THR 6 3HG2 THR 6 245.422 9.705 -1.109 67 H TYR 7 H TYR 7 248.117 7.740 1.520 68 HA TYR 7 HA TYR 7 248.478 7.111 -1.323 69 HB2 TYR 7 1HB TYR 7 250.528 7.943 0.743 70 HB3 TYR 7 2HB TYR 7 250.863 7.618 -0.957 71 HD1 TYR 7 HD1 TYR 7 250.234 10.149 1.360 72 HD2 TYR 7 HD2 TYR 7 249.298 8.990 -2.621 73 HE1 TYR 7 HE1 TYR 7 249.687 12.481 0.817 74 HE2 TYR 7 HE2 TYR 7 248.757 11.316 -3.177 75 HH TYR 7 HH TYR 7 249.506 13.940 -1.087 76 H CYS 8 H CYS 8 249.591 5.317 -1.956 77 HA CYS 8 HA CYS 8 249.073 2.946 -0.605 78 HB2 CYS 8 1HB CYS 8 249.385 2.869 -2.936 79 HB3 CYS 8 2HB CYS 8 250.945 3.664 -2.843 80 H THR 9 H THR 9 249.987 1.933 1.007 81 HA THR 9 HA THR 9 252.155 3.024 2.450 82 HB THR 9 HB THR 9 250.980 0.253 2.723 83 HG1 THR 9 HG1 THR 9 249.235 1.507 2.985 84 HG21 THR 9 1HG2 THR 9 253.007 0.577 4.029 85 HG22 THR 9 2HG2 THR 9 251.602 0.523 5.095 86 HG23 THR 9 3HG2 THR 9 252.356 2.069 4.706 87 H TYR 10 H TYR 10 251.985 0.700 -0.107 88 HA TYR 10 HA TYR 10 254.630 -0.357 0.422 89 HB2 TYR 10 1HB TYR 10 252.508 -0.931 -1.612 90 HB3 TYR 10 2HB TYR 10 254.163 -1.455 -1.911 91 HD1 TYR 10 HD1 TYR 10 251.869 -1.440 1.045 92 HD2 TYR 10 HD2 TYR 10 254.503 -3.676 -1.435 93 HE1 TYR 10 HE1 TYR 10 251.505 -3.414 2.455 94 HE2 TYR 10 HE2 TYR 10 254.146 -5.664 -0.030 95 HH TYR 10 HH TYR 10 251.692 -5.783 2.402 96 H CYS 11 H CYS 11 253.225 2.225 -1.298 97 HA CYS 11 HA CYS 11 255.497 2.613 -3.054 98 HB2 CYS 11 1HB CYS 11 252.921 4.078 -2.584 99 HB3 CYS 11 2HB CYS 11 254.248 4.899 -3.393 100 HA PRO 12 HA PRO 12 257.953 4.820 -0.049 101 HB2 PRO 12 1HB PRO 12 258.991 6.191 -2.468 102 HB3 PRO 12 2HB PRO 12 259.868 5.314 -1.212 103 HG2 PRO 12 1HG PRO 12 259.520 4.267 -3.644 104 HG3 PRO 12 2HG PRO 12 259.481 3.256 -2.187 105 HD2 PRO 12 1HD PRO 12 257.225 4.236 -3.876 106 HD3 PRO 12 2HD PRO 12 257.427 2.682 -3.043 107 H SER 13 H SER 13 257.853 6.814 0.930 108 HA SER 13 HA SER 13 255.603 8.408 0.363 109 HB2 SER 13 1HB SER 13 257.957 8.997 2.170 110 HB3 SER 13 2HB SER 13 256.408 9.842 2.191 111 HG SER 13 HG SER 13 257.053 7.616 3.464 112 H LYS 14 H LYS 14 258.805 8.547 -0.876 113 HA LYS 14 HA LYS 14 258.746 11.290 -1.678 114 HB2 LYS 14 1HB LYS 14 260.329 8.964 -2.786 115 HB3 LYS 14 2HB LYS 14 260.587 10.650 -3.211 116 HG2 LYS 14 1HG LYS 14 260.930 9.450 -0.474 117 HG3 LYS 14 2HG LYS 14 262.225 9.886 -1.588 118 HD2 LYS 14 1HD LYS 14 261.314 12.240 -1.522 119 HD3 LYS 14 2HD LYS 14 260.284 11.713 -0.191 120 HE2 LYS 14 1HE LYS 14 263.299 11.611 -0.245 121 HE3 LYS 14 2HE LYS 14 262.322 12.788 0.627 122 HZ1 LYS 14 1HZ LYS 14 262.384 9.862 1.125 123 HZ2 LYS 14 2HZ LYS 14 261.397 10.963 1.937 124 HZ3 LYS 14 3HZ LYS 14 263.074 11.056 2.101 125 H ILE 15 H ILE 15 257.184 8.482 -2.710 126 HA ILE 15 HA ILE 15 256.360 9.775 -5.222 127 HB ILE 15 HB ILE 15 256.391 6.817 -4.583 128 HG12 ILE 15 1HG1 ILE 15 258.151 8.411 -6.460 129 HG13 ILE 15 2HG1 ILE 15 258.650 7.794 -4.887 130 HG21 ILE 15 1HG2 ILE 15 254.584 7.449 -6.107 131 HG22 ILE 15 2HG2 ILE 15 255.819 6.502 -6.936 132 HG23 ILE 15 3HG2 ILE 15 255.750 8.250 -7.162 133 HD11 ILE 15 1HD1 ILE 15 258.295 5.514 -5.679 134 HD12 ILE 15 2HD1 ILE 15 259.459 6.382 -6.677 135 HD13 ILE 15 3HD1 ILE 15 257.811 6.139 -7.254 136 H ARG 16 H ARG 16 254.689 10.912 -4.208 137 HA ARG 16 HA ARG 16 252.778 9.660 -2.504 138 HB2 ARG 16 1HB ARG 16 252.733 12.314 -3.942 139 HB3 ARG 16 2HB ARG 16 251.481 11.786 -2.829 140 HG2 ARG 16 1HG ARG 16 253.152 11.642 -1.037 141 HG3 ARG 16 2HG ARG 16 254.385 12.223 -2.159 142 HD2 ARG 16 1HD ARG 16 253.125 14.301 -2.461 143 HD3 ARG 16 2HD ARG 16 251.894 13.717 -1.342 144 HE ARG 16 HE ARG 16 254.439 13.662 -0.116 145 HH11 ARG 16 1HH1 ARG 16 251.941 15.903 -1.104 146 HH12 ARG 16 2HH1 ARG 16 252.363 17.089 0.086 147 HH21 ARG 16 1HH2 ARG 16 254.987 15.215 1.453 148 HH22 ARG 16 2HH2 ARG 16 254.094 16.700 1.540 149 H ARG 17 H ARG 17 252.346 7.841 -3.945 150 HA ARG 17 HA ARG 17 250.440 8.460 -6.082 151 HB2 ARG 17 1HB ARG 17 252.352 6.844 -6.480 152 HB3 ARG 17 2HB ARG 17 251.572 5.755 -5.337 153 HG2 ARG 17 1HG ARG 17 249.606 5.634 -6.756 154 HG3 ARG 17 2HG ARG 17 250.335 6.774 -7.887 155 HD2 ARG 17 1HD ARG 17 252.198 5.145 -8.211 156 HD3 ARG 17 2HD ARG 17 251.296 3.994 -7.224 157 HE ARG 17 HE ARG 17 249.537 4.770 -9.166 158 HH11 ARG 17 1HH1 ARG 17 252.731 3.336 -9.153 159 HH12 ARG 17 2HH1 ARG 17 252.507 2.512 -10.663 160 HH21 ARG 17 1HH2 ARG 17 249.239 3.699 -11.152 161 HH22 ARG 17 2HH2 ARG 17 250.518 2.726 -11.802 162 H LYS 18 H LYS 18 248.324 8.125 -5.825 163 HA LYS 18 HA LYS 18 247.336 7.813 -3.191 164 HB2 LYS 18 1HB LYS 18 245.937 7.952 -5.862 165 HB3 LYS 18 2HB LYS 18 245.072 7.819 -4.339 166 HG2 LYS 18 1HG LYS 18 245.049 10.101 -4.904 167 HG3 LYS 18 2HG LYS 18 246.254 9.936 -3.627 168 HD2 LYS 18 1HD LYS 18 248.039 9.982 -5.271 169 HD3 LYS 18 2HD LYS 18 246.859 10.054 -6.579 170 HE2 LYS 18 1HE LYS 18 247.225 12.136 -4.428 171 HE3 LYS 18 2HE LYS 18 247.836 12.253 -6.077 172 HZ1 LYS 18 1HZ LYS 18 244.983 12.118 -5.261 173 HZ2 LYS 18 2HZ LYS 18 245.528 12.141 -6.860 174 HZ3 LYS 18 3HZ LYS 18 245.796 13.476 -5.858 175 H ALA 19 H ALA 19 246.296 6.158 -2.214 176 HA ALA 19 HA ALA 19 246.809 3.519 -3.282 177 HB1 ALA 19 1HB ALA 19 245.453 4.292 -0.704 178 HB2 ALA 19 2HB ALA 19 247.191 4.070 -0.902 179 HB3 ALA 19 3HB ALA 19 246.097 2.707 -1.136 180 H ASN 20 H ASN 20 245.450 2.933 -4.854 181 HA ASN 20 HA ASN 20 242.671 3.685 -4.830 182 HB2 ASN 20 1HB ASN 20 244.225 1.920 -6.730 183 HB3 ASN 20 2HB ASN 20 242.545 2.392 -6.952 184 HD21 ASN 20 1HD2 ASN 20 244.853 2.901 -8.635 185 HD22 ASN 20 2HD2 ASN 20 244.960 4.620 -8.799 186 H ALA 21 H ALA 21 244.176 1.519 -3.034 187 HA ALA 21 HA ALA 21 241.795 -0.068 -2.694 188 HB1 ALA 21 1HB ALA 21 244.376 -1.428 -3.461 189 HB2 ALA 21 2HB ALA 21 242.941 -1.297 -4.477 190 HB3 ALA 21 3HB ALA 21 242.880 -2.227 -2.981 191 H SER 22 H SER 22 242.146 -1.676 -0.871 192 HA SER 22 HA SER 22 244.198 -0.859 1.022 193 HB2 SER 22 1HB SER 22 242.277 0.590 1.524 194 HB3 SER 22 2HB SER 22 241.236 -0.826 1.657 195 HG SER 22 HG SER 22 242.681 0.298 3.554 196 H CYS 23 H CYS 23 245.004 -2.561 2.084 197 HA CYS 23 HA CYS 23 244.033 -5.179 1.420 198 HB2 CYS 23 1HB CYS 23 246.434 -4.694 1.618 199 HB3 CYS 23 2HB CYS 23 246.216 -4.314 3.321 200 H LYS 24 H LYS 24 242.478 -6.209 2.463 201 HA LYS 24 HA LYS 24 241.165 -4.944 4.619 202 HB2 LYS 24 1HB LYS 24 240.092 -6.308 2.807 203 HB3 LYS 24 2HB LYS 24 240.709 -7.747 3.606 204 HG2 LYS 24 1HG LYS 24 238.394 -7.387 4.191 205 HG3 LYS 24 2HG LYS 24 239.420 -7.173 5.612 206 HD2 LYS 24 1HD LYS 24 239.305 -4.759 5.361 207 HD3 LYS 24 2HD LYS 24 238.348 -4.938 3.890 208 HE2 LYS 24 1HE LYS 24 237.520 -5.872 6.633 209 HE3 LYS 24 2HE LYS 24 236.978 -4.383 5.862 210 HZ1 LYS 24 1HZ LYS 24 235.353 -6.142 5.610 211 HZ2 LYS 24 2HZ LYS 24 236.491 -7.135 4.853 212 HZ3 LYS 24 3HZ LYS 24 235.981 -5.711 4.100 213 H LYS 25 H LYS 25 243.562 -7.474 4.524 214 HA LYS 25 HA LYS 25 242.839 -8.629 7.033 215 HB2 LYS 25 1HB LYS 25 244.061 -9.873 5.243 216 HB3 LYS 25 2HB LYS 25 245.484 -8.900 5.601 217 HG2 LYS 25 1HG LYS 25 245.394 -9.748 7.941 218 HG3 LYS 25 2HG LYS 25 244.089 -10.825 7.450 219 HD2 LYS 25 1HD LYS 25 245.607 -11.839 5.782 220 HD3 LYS 25 2HD LYS 25 246.906 -10.804 6.375 221 HE2 LYS 25 1HE LYS 25 245.412 -12.873 7.981 222 HE3 LYS 25 2HE LYS 25 247.044 -13.039 7.343 223 HZ1 LYS 25 1HZ LYS 25 247.749 -11.212 8.745 224 HZ2 LYS 25 2HZ LYS 25 247.045 -12.431 9.683 225 HZ3 LYS 25 3HZ LYS 25 246.177 -11.022 9.341 226 H CYS 26 H CYS 26 245.133 -6.135 6.055 227 HA CYS 26 HA CYS 26 245.917 -5.903 8.885 228 HB2 CYS 26 1HB CYS 26 248.059 -4.975 8.125 229 HB3 CYS 26 2HB CYS 26 247.792 -6.590 7.480 230 H LYS 27 H LYS 27 244.226 -4.448 6.429 231 HA LYS 27 HA LYS 27 243.156 -2.489 6.196 232 HB2 LYS 27 1HB LYS 27 244.064 -2.010 9.035 233 HB3 LYS 27 2HB LYS 27 242.936 -0.980 8.165 234 HG2 LYS 27 1HG LYS 27 241.469 -3.000 7.875 235 HG3 LYS 27 2HG LYS 27 242.548 -3.848 8.983 236 HD2 LYS 27 1HD LYS 27 242.087 -2.164 10.705 237 HD3 LYS 27 2HD LYS 27 240.999 -1.332 9.595 238 HE2 LYS 27 1HE LYS 27 239.600 -3.355 9.486 239 HE3 LYS 27 2HE LYS 27 240.670 -4.140 10.646 240 HZ1 LYS 27 1HZ LYS 27 238.715 -3.245 11.725 241 HZ2 LYS 27 2HZ LYS 27 239.065 -1.697 11.150 242 HZ3 LYS 27 3HZ LYS 27 240.097 -2.436 12.264 243 H LYS 28 H LYS 28 246.057 -2.799 5.596 244 HA LYS 28 HA LYS 28 246.936 -0.011 5.688 245 HB2 LYS 28 1HB LYS 28 248.345 -2.515 4.743 246 HB3 LYS 28 2HB LYS 28 249.037 -0.903 4.661 247 HG2 LYS 28 1HG LYS 28 248.974 -0.725 7.078 248 HG3 LYS 28 2HG LYS 28 248.207 -2.311 7.192 249 HD2 LYS 28 1HD LYS 28 250.178 -3.340 6.180 250 HD3 LYS 28 2HD LYS 28 250.941 -1.756 6.037 251 HE2 LYS 28 1HE LYS 28 250.141 -3.108 8.612 252 HE3 LYS 28 2HE LYS 28 251.780 -2.989 7.976 253 HZ1 LYS 28 1HZ LYS 28 250.063 -0.709 8.791 254 HZ2 LYS 28 2HZ LYS 28 251.619 -0.576 8.147 255 HZ3 LYS 28 3HZ LYS 28 251.387 -1.313 9.647 256 H VAL 29 H VAL 29 246.872 1.298 3.961 257 HA VAL 29 HA VAL 29 245.371 0.436 1.676 258 HB VAL 29 HB VAL 29 245.591 2.740 0.878 259 HG11 VAL 29 1HG1 VAL 29 244.856 2.514 3.788 260 HG12 VAL 29 2HG1 VAL 29 243.801 2.192 2.412 261 HG13 VAL 29 3HG1 VAL 29 244.385 3.829 2.712 262 HG21 VAL 29 1HG2 VAL 29 246.716 4.424 2.280 263 HG22 VAL 29 2HG2 VAL 29 247.840 3.235 1.621 264 HG23 VAL 29 3HG2 VAL 29 247.333 3.128 3.305 265 H ILE 30 H ILE 30 246.023 0.352 -0.463 266 HA ILE 30 HA ILE 30 248.897 0.406 -1.028 267 HB ILE 30 HB ILE 30 248.667 -1.840 -2.180 268 HG12 ILE 30 1HG1 ILE 30 246.229 -2.049 -0.397 269 HG13 ILE 30 2HG1 ILE 30 246.181 -1.866 -2.145 270 HG21 ILE 30 1HG2 ILE 30 249.911 -1.577 -0.106 271 HG22 ILE 30 2HG2 ILE 30 249.061 -3.121 -0.131 272 HG23 ILE 30 3HG2 ILE 30 248.427 -1.783 0.826 273 HD11 ILE 30 1HD1 ILE 30 245.817 -4.177 -1.373 274 HD12 ILE 30 2HD1 ILE 30 247.452 -4.179 -0.706 275 HD13 ILE 30 3HD1 ILE 30 247.206 -4.009 -2.445 276 H CYS 31 H CYS 31 249.357 0.278 -3.331 277 HA CYS 31 HA CYS 31 247.123 1.174 -4.992 278 HB2 CYS 31 1HB CYS 31 248.727 1.953 -6.575 279 HB3 CYS 31 2HB CYS 31 249.352 2.423 -5.004 280 H ARG 32 H ARG 32 246.544 0.034 -6.873 281 HA ARG 32 HA ARG 32 246.750 -2.791 -6.503 282 HB2 ARG 32 1HB ARG 32 245.423 -1.192 -8.695 283 HB3 ARG 32 2HB ARG 32 245.269 -2.932 -8.484 284 HG2 ARG 32 1HG ARG 32 244.353 -2.471 -6.192 285 HG3 ARG 32 2HG ARG 32 244.307 -0.765 -6.634 286 HD2 ARG 32 1HD ARG 32 242.863 -3.011 -8.037 287 HD3 ARG 32 2HD ARG 32 242.134 -1.818 -6.964 288 HE ARG 32 HE ARG 32 243.380 -0.383 -8.964 289 HH11 ARG 32 1HH1 ARG 32 240.841 -2.776 -8.745 290 HH12 ARG 32 2HH1 ARG 32 240.010 -2.214 -10.161 291 HH21 ARG 32 1HH2 ARG 32 242.295 0.363 -10.828 292 HH22 ARG 32 2HH2 ARG 32 240.837 -0.421 -11.345 293 H GLU 33 H GLU 33 248.688 -0.565 -8.076 294 HA GLU 33 HA GLU 33 249.715 -2.443 -10.017 295 HB2 GLU 33 1HB GLU 33 250.673 0.283 -9.152 296 HB3 GLU 33 2HB GLU 33 251.489 -0.695 -10.364 297 HG2 GLU 33 1HG GLU 33 248.719 0.460 -10.507 298 HG3 GLU 33 2HG GLU 33 250.119 0.887 -11.491 299 H HIS 34 H HIS 34 250.101 -1.795 -6.722 300 HA HIS 34 HA HIS 34 252.644 -3.247 -6.630 301 HB2 HIS 34 1HB HIS 34 251.254 -1.401 -4.795 302 HB3 HIS 34 2HB HIS 34 251.976 -2.801 -4.005 303 HD2 HIS 34 HD2 HIS 34 254.632 -2.846 -6.048 304 HE1 HIS 34 HE1 HIS 34 255.365 0.857 -4.151 305 HE2 HIS 34 HE2 HIS 34 256.329 -0.926 -5.674 306 H ASN 35 H ASN 35 249.436 -3.342 -5.108 307 HA ASN 35 HA ASN 35 249.494 -6.262 -5.222 308 HB2 ASN 35 1HB ASN 35 249.194 -4.619 -2.714 309 HB3 ASN 35 2HB ASN 35 248.535 -6.245 -2.830 310 HD21 ASN 35 1HD2 ASN 35 250.702 -7.285 -4.446 311 HD22 ASN 35 2HD2 ASN 35 252.078 -7.405 -3.412 312 H ILE 36 H ILE 36 247.480 -7.176 -5.475 313 HA ILE 36 HA ILE 36 245.414 -5.307 -6.288 314 HB ILE 36 HB ILE 36 245.436 -8.324 -6.440 315 HG12 ILE 36 1HG1 ILE 36 247.200 -7.267 -7.816 316 HG13 ILE 36 2HG1 ILE 36 245.962 -8.032 -8.806 317 HG21 ILE 36 1HG2 ILE 36 243.180 -7.421 -6.423 318 HG22 ILE 36 2HG2 ILE 36 243.583 -8.042 -8.023 319 HG23 ILE 36 3HG2 ILE 36 243.600 -6.306 -7.723 320 HD11 ILE 36 1HD1 ILE 36 246.220 -5.088 -8.234 321 HD12 ILE 36 2HD1 ILE 36 244.943 -5.836 -9.193 322 HD13 ILE 36 3HD1 ILE 36 246.617 -5.906 -9.745 323 H ASP 37 H ASP 37 244.824 -4.492 -4.263 324 HA ASP 37 HA ASP 37 243.285 -4.235 -2.621 325 HB2 ASP 37 1HB ASP 37 242.284 -6.861 -3.680 326 HB3 ASP 37 2HB ASP 37 241.554 -6.091 -2.276 327 H MET 38 H MET 38 244.977 -7.306 -2.650 328 HA MET 38 HA MET 38 245.124 -7.123 0.288 329 HB2 MET 38 1HB MET 38 245.394 -9.606 -1.425 330 HB3 MET 38 2HB MET 38 245.494 -9.548 0.330 331 HG2 MET 38 1HG MET 38 243.074 -8.909 -1.342 332 HG3 MET 38 2HG MET 38 243.327 -10.361 -0.377 333 HE1 MET 38 1HE MET 38 243.255 -10.455 2.220 334 HE2 MET 38 2HE MET 38 243.124 -9.044 3.269 335 HE3 MET 38 3HE MET 38 244.584 -9.299 2.315 336 H CYS 39 H CYS 39 247.099 -6.937 1.185 337 HA CYS 39 HA CYS 39 249.244 -6.344 -0.653 338 HB2 CYS 39 1HB CYS 39 250.238 -5.156 1.050 339 HB3 CYS 39 2HB CYS 39 248.558 -5.082 1.563 340 H GLN 40 H GLN 40 251.329 -7.181 -0.515 341 HA GLN 40 HA GLN 40 251.355 -9.963 -0.742 342 HB2 GLN 40 1HB GLN 40 252.839 -8.358 -1.939 343 HB3 GLN 40 2HB GLN 40 253.732 -8.124 -0.444 344 HG2 GLN 40 1HG GLN 40 254.930 -9.658 -1.816 345 HG3 GLN 40 2HG GLN 40 254.262 -10.541 -0.443 346 HE21 GLN 40 1HE2 GLN 40 252.547 -11.963 -0.781 347 HE22 GLN 40 2HE2 GLN 40 252.169 -12.574 -2.353 348 H SER 41 H SER 41 252.090 -7.928 1.983 349 HA SER 41 HA SER 41 253.597 -9.825 3.461 350 HB2 SER 41 1HB SER 41 253.645 -7.397 3.920 351 HB3 SER 41 2HB SER 41 251.968 -7.471 4.451 352 HG SER 41 HG SER 41 254.143 -8.873 5.633 353 H CYS 42 H CYS 42 250.230 -9.412 2.863 354 HA CYS 42 HA CYS 42 249.513 -11.224 5.051 355 HB2 CYS 42 1HB CYS 42 247.807 -9.575 3.181 356 HB3 CYS 42 2HB CYS 42 247.156 -10.694 4.372 357 H PHE 43 H PHE 43 248.783 -10.840 1.585 358 HA PHE 43 HA PHE 43 248.771 -13.763 1.337 359 HB2 PHE 43 1HB PHE 43 246.644 -11.878 0.302 360 HB3 PHE 43 2HB PHE 43 246.787 -13.562 -0.181 361 HD1 PHE 43 HD1 PHE 43 246.443 -15.351 1.498 362 HD2 PHE 43 HD2 PHE 43 245.625 -11.266 2.347 363 HE1 PHE 43 HE1 PHE 43 245.063 -16.032 3.413 364 HE2 PHE 43 HE2 PHE 43 244.242 -11.937 4.265 365 HZ PHE 43 HZ PHE 43 243.962 -14.324 4.803 Start of MODEL 6 1 H1 VAL 1 1H VAL 1 251.947 11.284 7.759 2 H2 VAL 1 2H VAL 1 250.851 10.826 8.955 3 H3 VAL 1 3H VAL 1 252.287 11.608 9.380 4 HA VAL 1 HA VAL 1 250.395 13.099 9.492 5 HB VAL 1 HB VAL 1 252.675 13.938 8.920 6 HG11 VAL 1 1HG1 VAL 1 251.697 13.783 6.074 7 HG12 VAL 1 2HG1 VAL 1 252.993 12.825 6.787 8 HG13 VAL 1 3HG1 VAL 1 253.183 14.569 6.609 9 HG21 VAL 1 1HG2 VAL 1 250.925 15.538 9.319 10 HG22 VAL 1 2HG2 VAL 1 250.364 15.397 7.655 11 HG23 VAL 1 3HG2 VAL 1 251.939 16.112 7.994 12 H MET 2 H MET 2 248.608 14.030 8.543 13 HA MET 2 HA MET 2 246.733 14.100 7.274 14 HB2 MET 2 1HB MET 2 248.728 13.675 5.044 15 HB3 MET 2 2HB MET 2 247.042 14.100 4.792 16 HG2 MET 2 1HG MET 2 249.137 15.755 6.175 17 HG3 MET 2 2HG MET 2 248.404 16.063 4.603 18 HE1 MET 2 1HE MET 2 245.349 15.361 5.150 19 HE2 MET 2 2HE MET 2 245.880 16.790 4.262 20 HE3 MET 2 3HE MET 2 244.720 16.951 5.581 21 H LYS 3 H LYS 3 247.232 11.693 8.487 22 HA LYS 3 HA LYS 3 246.544 9.537 8.567 23 HB2 LYS 3 1HB LYS 3 244.902 10.305 6.149 24 HB3 LYS 3 2HB LYS 3 244.677 8.859 7.121 25 HG2 LYS 3 1HG LYS 3 244.361 11.687 8.107 26 HG3 LYS 3 2HG LYS 3 243.044 10.609 7.647 27 HD2 LYS 3 1HD LYS 3 245.028 10.076 9.858 28 HD3 LYS 3 2HD LYS 3 243.404 10.720 10.092 29 HE2 LYS 3 1HE LYS 3 244.072 8.042 8.874 30 HE3 LYS 3 2HE LYS 3 243.515 8.307 10.524 31 HZ1 LYS 3 1HZ LYS 3 241.989 8.905 8.048 32 HZ2 LYS 3 2HZ LYS 3 241.457 9.228 9.621 33 HZ3 LYS 3 3HZ LYS 3 241.696 7.633 9.122 34 H LYS 4 H LYS 4 248.565 8.711 8.132 35 HA LYS 4 HA LYS 4 249.730 8.330 5.632 36 HB2 LYS 4 1HB LYS 4 251.007 8.113 7.679 37 HB3 LYS 4 2HB LYS 4 250.028 6.746 8.187 38 HG2 LYS 4 1HG LYS 4 252.152 5.959 7.396 39 HG3 LYS 4 2HG LYS 4 250.889 5.454 6.273 40 HD2 LYS 4 1HD LYS 4 251.473 7.395 4.832 41 HD3 LYS 4 2HD LYS 4 252.813 7.752 5.924 42 HE2 LYS 4 1HE LYS 4 253.727 5.503 5.475 43 HE3 LYS 4 2HE LYS 4 252.425 5.228 4.322 44 HZ1 LYS 4 1HZ LYS 4 254.360 5.910 3.141 45 HZ2 LYS 4 2HZ LYS 4 254.576 7.262 4.127 46 HZ3 LYS 4 3HZ LYS 4 253.253 7.186 3.077 47 H ARG 5 H ARG 5 247.280 6.495 7.298 48 HA ARG 5 HA ARG 5 247.523 4.193 5.598 49 HB2 ARG 5 1HB ARG 5 245.587 3.315 6.749 50 HB3 ARG 5 2HB ARG 5 246.727 3.975 7.908 51 HG2 ARG 5 1HG ARG 5 245.353 5.967 8.151 52 HG3 ARG 5 2HG ARG 5 244.222 5.339 6.949 53 HD2 ARG 5 1HD ARG 5 243.385 4.928 9.194 54 HD3 ARG 5 2HD ARG 5 243.778 3.408 8.392 55 HE ARG 5 HE ARG 5 245.624 4.675 10.312 56 HH11 ARG 5 1HH1 ARG 5 243.818 1.887 9.195 57 HH12 ARG 5 2HH1 ARG 5 244.520 0.808 10.353 58 HH21 ARG 5 1HH2 ARG 5 246.569 3.251 11.822 59 HH22 ARG 5 2HH2 ARG 5 246.103 1.580 11.840 60 H THR 6 H THR 6 246.842 6.972 4.527 61 HA THR 6 HA THR 6 244.561 6.149 2.867 62 HB THR 6 HB THR 6 245.910 8.851 2.866 63 HG1 THR 6 HG1 THR 6 245.119 8.947 4.841 64 HG21 THR 6 1HG2 THR 6 243.765 9.607 1.952 65 HG22 THR 6 2HG2 THR 6 243.150 7.956 2.027 66 HG23 THR 6 3HG2 THR 6 244.484 8.352 0.941 67 H TYR 7 H TYR 7 247.917 6.420 3.006 68 HA TYR 7 HA TYR 7 248.202 6.316 0.087 69 HB2 TYR 7 1HB TYR 7 250.208 7.008 2.245 70 HB3 TYR 7 2HB TYR 7 250.614 6.828 0.541 71 HD1 TYR 7 HD1 TYR 7 249.612 8.396 -1.125 72 HD2 TYR 7 HD2 TYR 7 249.259 9.013 3.070 73 HE1 TYR 7 HE1 TYR 7 249.048 10.751 -1.523 74 HE2 TYR 7 HE2 TYR 7 248.685 11.370 2.682 75 HH TYR 7 HH TYR 7 247.737 12.576 -0.246 76 H CYS 8 H CYS 8 249.351 4.681 -0.850 77 HA CYS 8 HA CYS 8 248.975 2.139 0.142 78 HB2 CYS 8 1HB CYS 8 249.298 2.460 -2.178 79 HB3 CYS 8 2HB CYS 8 250.885 3.176 -1.937 80 H THR 9 H THR 9 249.911 0.919 1.542 81 HA THR 9 HA THR 9 252.038 1.806 3.172 82 HB THR 9 HB THR 9 250.917 -0.991 2.959 83 HG1 THR 9 HG1 THR 9 249.141 0.201 3.349 84 HG21 THR 9 1HG2 THR 9 252.920 -0.804 4.352 85 HG22 THR 9 2HG2 THR 9 251.493 -1.137 5.334 86 HG23 THR 9 3HG2 THR 9 252.162 0.494 5.275 87 H TYR 10 H TYR 10 251.950 -0.041 0.246 88 HA TYR 10 HA TYR 10 254.641 -1.098 0.689 89 HB2 TYR 10 1HB TYR 10 252.511 -1.707 -1.343 90 HB3 TYR 10 2HB TYR 10 254.170 -2.266 -1.546 91 HD1 TYR 10 HD1 TYR 10 254.782 -4.303 -0.647 92 HD2 TYR 10 HD2 TYR 10 251.417 -2.263 0.959 93 HE1 TYR 10 HE1 TYR 10 254.330 -6.219 0.828 94 HE2 TYR 10 HE2 TYR 10 250.956 -4.160 2.435 95 HH TYR 10 HH TYR 10 253.156 -6.636 3.011 96 H CYS 11 H CYS 11 253.453 1.698 -0.324 97 HA CYS 11 HA CYS 11 255.520 2.025 -2.381 98 HB2 CYS 11 1HB CYS 11 252.841 3.271 -2.003 99 HB3 CYS 11 2HB CYS 11 254.108 4.234 -2.755 100 HA PRO 12 HA PRO 12 257.882 4.338 0.568 101 HB2 PRO 12 1HB PRO 12 258.932 5.720 -1.834 102 HB3 PRO 12 2HB PRO 12 259.801 4.843 -0.574 103 HG2 PRO 12 1HG PRO 12 259.476 3.807 -3.018 104 HG3 PRO 12 2HG PRO 12 259.441 2.789 -1.566 105 HD2 PRO 12 1HD PRO 12 257.183 3.756 -3.262 106 HD3 PRO 12 2HD PRO 12 257.396 2.198 -2.437 107 H SER 13 H SER 13 257.944 6.375 1.476 108 HA SER 13 HA SER 13 255.646 7.970 1.051 109 HB2 SER 13 1HB SER 13 258.100 8.592 2.706 110 HB3 SER 13 2HB SER 13 256.517 9.358 2.854 111 HG SER 13 HG SER 13 257.319 7.257 4.131 112 H LYS 14 H LYS 14 258.693 8.027 -0.459 113 HA LYS 14 HA LYS 14 258.474 10.794 -1.279 114 HB2 LYS 14 1HB LYS 14 260.360 8.580 -2.081 115 HB3 LYS 14 2HB LYS 14 260.410 10.191 -2.779 116 HG2 LYS 14 1HG LYS 14 260.796 9.529 0.130 117 HG3 LYS 14 2HG LYS 14 262.073 9.920 -1.023 118 HD2 LYS 14 1HD LYS 14 260.904 12.119 -1.402 119 HD3 LYS 14 2HD LYS 14 259.866 11.714 -0.036 120 HE2 LYS 14 1HE LYS 14 261.663 13.139 0.713 121 HE3 LYS 14 2HE LYS 14 261.864 11.526 1.393 122 HZ1 LYS 14 1HZ LYS 14 263.954 12.436 0.578 123 HZ2 LYS 14 2HZ LYS 14 263.310 12.577 -0.980 124 HZ3 LYS 14 3HZ LYS 14 263.520 11.050 -0.286 125 H ILE 15 H ILE 15 257.162 7.836 -2.230 126 HA ILE 15 HA ILE 15 256.742 8.708 -4.994 127 HB ILE 15 HB ILE 15 255.967 6.083 -3.708 128 HG12 ILE 15 1HG1 ILE 15 258.397 6.350 -3.695 129 HG13 ILE 15 2HG1 ILE 15 257.922 5.138 -4.879 130 HG21 ILE 15 1HG2 ILE 15 255.663 5.272 -5.963 131 HG22 ILE 15 2HG2 ILE 15 256.163 6.830 -6.620 132 HG23 ILE 15 3HG2 ILE 15 254.662 6.702 -5.704 133 HD11 ILE 15 1HD1 ILE 15 259.681 6.543 -5.750 134 HD12 ILE 15 2HD1 ILE 15 258.707 7.984 -5.457 135 HD13 ILE 15 3HD1 ILE 15 258.192 6.801 -6.660 136 H ARG 16 H ARG 16 254.919 7.601 -2.163 137 HA ARG 16 HA ARG 16 252.802 7.958 -1.441 138 HB2 ARG 16 1HB ARG 16 253.305 10.588 -2.824 139 HB3 ARG 16 2HB ARG 16 251.926 10.278 -1.775 140 HG2 ARG 16 1HG ARG 16 253.452 9.778 0.069 141 HG3 ARG 16 2HG ARG 16 254.823 10.127 -0.983 142 HD2 ARG 16 1HD ARG 16 253.939 12.426 -1.282 143 HD3 ARG 16 2HD ARG 16 252.675 12.048 -0.110 144 HE ARG 16 HE ARG 16 255.467 11.715 0.695 145 HH11 ARG 16 1HH1 ARG 16 252.476 13.525 0.926 146 HH12 ARG 16 2HH1 ARG 16 252.943 14.353 2.378 147 HH21 ARG 16 1HH2 ARG 16 256.082 12.805 2.595 148 HH22 ARG 16 2HH2 ARG 16 255.002 13.954 3.319 149 H ARG 17 H ARG 17 252.105 6.255 -2.901 150 HA ARG 17 HA ARG 17 250.351 7.202 -5.044 151 HB2 ARG 17 1HB ARG 17 251.009 4.373 -4.175 152 HB3 ARG 17 2HB ARG 17 250.013 4.809 -5.556 153 HG2 ARG 17 1HG ARG 17 252.917 5.536 -5.262 154 HG3 ARG 17 2HG ARG 17 252.325 4.125 -6.137 155 HD2 ARG 17 1HD ARG 17 251.602 6.985 -6.772 156 HD3 ARG 17 2HD ARG 17 252.829 6.045 -7.613 157 HE ARG 17 HE ARG 17 250.618 4.495 -7.844 158 HH11 ARG 17 1HH1 ARG 17 251.273 7.868 -8.522 159 HH12 ARG 17 2HH1 ARG 17 250.159 7.952 -9.849 160 HH21 ARG 17 1HH2 ARG 17 249.152 4.593 -9.595 161 HH22 ARG 17 2HH2 ARG 17 248.946 6.090 -10.458 162 H LYS 18 H LYS 18 248.303 7.638 -4.564 163 HA LYS 18 HA LYS 18 247.186 7.252 -2.019 164 HB2 LYS 18 1HB LYS 18 245.919 7.854 -4.692 165 HB3 LYS 18 2HB LYS 18 244.968 7.702 -3.225 166 HG2 LYS 18 1HG LYS 18 245.337 10.013 -3.601 167 HG3 LYS 18 2HG LYS 18 246.349 9.538 -2.237 168 HD2 LYS 18 1HD LYS 18 248.306 9.509 -3.614 169 HD3 LYS 18 2HD LYS 18 247.342 9.734 -5.074 170 HE2 LYS 18 1HE LYS 18 247.488 11.731 -2.823 171 HE3 LYS 18 2HE LYS 18 248.504 11.793 -4.262 172 HZ1 LYS 18 1HZ LYS 18 245.537 11.906 -4.250 173 HZ2 LYS 18 2HZ LYS 18 246.526 12.005 -5.618 174 HZ3 LYS 18 3HZ LYS 18 246.566 13.231 -4.455 175 H ALA 19 H ALA 19 246.161 5.583 -1.106 176 HA ALA 19 HA ALA 19 246.242 3.060 -2.467 177 HB1 ALA 19 1HB ALA 19 246.800 3.272 -0.089 178 HB2 ALA 19 2HB ALA 19 245.500 2.116 -0.375 179 HB3 ALA 19 3HB ALA 19 245.128 3.723 0.251 180 H ASN 20 H ASN 20 244.749 2.648 -3.964 181 HA ASN 20 HA ASN 20 242.004 3.554 -3.596 182 HB2 ASN 20 1HB ASN 20 243.418 2.235 -5.915 183 HB3 ASN 20 2HB ASN 20 241.682 2.488 -5.892 184 HD21 ASN 20 1HD2 ASN 20 244.031 4.741 -4.561 185 HD22 ASN 20 2HD2 ASN 20 243.755 5.990 -5.725 186 H ALA 21 H ALA 21 243.838 0.945 -2.754 187 HA ALA 21 HA ALA 21 241.462 -0.727 -2.405 188 HB1 ALA 21 1HB ALA 21 244.097 -1.674 -3.534 189 HB2 ALA 21 2HB ALA 21 242.548 -1.621 -4.374 190 HB3 ALA 21 3HB ALA 21 242.781 -2.732 -3.025 191 H SER 22 H SER 22 242.002 -2.558 -0.825 192 HA SER 22 HA SER 22 244.139 -1.882 1.021 193 HB2 SER 22 1HB SER 22 242.467 -1.984 2.947 194 HB3 SER 22 2HB SER 22 242.437 -0.527 1.956 195 HG SER 22 HG SER 22 240.597 -1.217 0.971 196 H CYS 23 H CYS 23 244.777 -3.563 2.339 197 HA CYS 23 HA CYS 23 243.866 -6.212 1.591 198 HB2 CYS 23 1HB CYS 23 246.284 -5.734 1.923 199 HB3 CYS 23 2HB CYS 23 245.957 -5.347 3.607 200 H LYS 24 H LYS 24 241.856 -6.515 2.446 201 HA LYS 24 HA LYS 24 240.960 -5.462 4.893 202 HB2 LYS 24 1HB LYS 24 239.938 -7.691 3.144 203 HB3 LYS 24 2HB LYS 24 239.143 -7.268 4.650 204 HG2 LYS 24 1HG LYS 24 237.991 -6.185 2.866 205 HG3 LYS 24 2HG LYS 24 238.857 -4.954 3.784 206 HD2 LYS 24 1HD LYS 24 240.638 -4.960 2.100 207 HD3 LYS 24 2HD LYS 24 239.762 -6.185 1.181 208 HE2 LYS 24 1HE LYS 24 238.755 -3.414 1.816 209 HE3 LYS 24 2HE LYS 24 239.445 -3.921 0.278 210 HZ1 LYS 24 1HZ LYS 24 237.038 -3.931 0.213 211 HZ2 LYS 24 2HZ LYS 24 236.977 -5.015 1.507 212 HZ3 LYS 24 3HZ LYS 24 237.638 -5.501 0.028 213 H LYS 25 H LYS 25 242.833 -8.230 4.156 214 HA LYS 25 HA LYS 25 242.228 -9.896 6.322 215 HB2 LYS 25 1HB LYS 25 243.514 -10.548 4.289 216 HB3 LYS 25 2HB LYS 25 244.880 -9.626 4.901 217 HG2 LYS 25 1HG LYS 25 245.235 -11.941 5.379 218 HG3 LYS 25 2HG LYS 25 244.916 -11.098 6.895 219 HD2 LYS 25 1HD LYS 25 242.596 -11.867 6.838 220 HD3 LYS 25 2HD LYS 25 242.904 -12.696 5.312 221 HE2 LYS 25 1HE LYS 25 244.583 -14.095 6.439 222 HE3 LYS 25 2HE LYS 25 244.217 -13.289 7.962 223 HZ1 LYS 25 1HZ LYS 25 243.059 -15.399 7.770 224 HZ2 LYS 25 2HZ LYS 25 242.299 -14.884 6.351 225 HZ3 LYS 25 3HZ LYS 25 241.954 -14.120 7.820 226 H CYS 26 H CYS 26 244.520 -7.200 6.058 227 HA CYS 26 HA CYS 26 244.978 -7.461 8.960 228 HB2 CYS 26 1HB CYS 26 247.302 -6.808 8.660 229 HB3 CYS 26 2HB CYS 26 246.952 -8.241 7.697 230 H LYS 27 H LYS 27 243.779 -5.577 6.553 231 HA LYS 27 HA LYS 27 242.917 -3.504 6.467 232 HB2 LYS 27 1HB LYS 27 243.756 -3.312 9.360 233 HB3 LYS 27 2HB LYS 27 242.740 -2.144 8.527 234 HG2 LYS 27 1HG LYS 27 242.081 -5.037 9.052 235 HG3 LYS 27 2HG LYS 27 241.381 -3.635 9.859 236 HD2 LYS 27 1HD LYS 27 240.495 -2.886 7.658 237 HD3 LYS 27 2HD LYS 27 241.097 -4.384 6.949 238 HE2 LYS 27 1HE LYS 27 239.033 -4.137 9.134 239 HE3 LYS 27 2HE LYS 27 238.731 -4.577 7.455 240 HZ1 LYS 27 1HZ LYS 27 240.074 -6.569 7.777 241 HZ2 LYS 27 2HZ LYS 27 238.784 -6.524 8.873 242 HZ3 LYS 27 3HZ LYS 27 240.345 -6.143 9.393 243 H LYS 28 H LYS 28 245.650 -3.992 5.694 244 HA LYS 28 HA LYS 28 246.764 -1.294 6.046 245 HB2 LYS 28 1HB LYS 28 248.050 -3.784 4.899 246 HB3 LYS 28 2HB LYS 28 248.824 -2.210 5.002 247 HG2 LYS 28 1HG LYS 28 247.882 -3.833 7.358 248 HG3 LYS 28 2HG LYS 28 249.543 -3.745 6.776 249 HD2 LYS 28 1HD LYS 28 249.514 -1.304 7.182 250 HD3 LYS 28 2HD LYS 28 247.893 -1.463 7.859 251 HE2 LYS 28 1HE LYS 28 249.559 -1.397 9.629 252 HE3 LYS 28 2HE LYS 28 248.758 -2.966 9.582 253 HZ1 LYS 28 1HZ LYS 28 251.436 -2.350 8.457 254 HZ2 LYS 28 2HZ LYS 28 250.669 -3.856 8.387 255 HZ3 LYS 28 3HZ LYS 28 251.132 -3.214 9.879 256 H VAL 29 H VAL 29 246.908 0.084 4.338 257 HA VAL 29 HA VAL 29 245.177 -0.583 2.111 258 HB VAL 29 HB VAL 29 245.309 1.819 1.563 259 HG11 VAL 29 1HG1 VAL 29 244.668 1.193 4.441 260 HG12 VAL 29 2HG1 VAL 29 243.579 1.029 3.064 261 HG13 VAL 29 3HG1 VAL 29 244.131 2.627 3.565 262 HG21 VAL 29 1HG2 VAL 29 246.436 3.362 3.083 263 HG22 VAL 29 2HG2 VAL 29 247.587 2.250 2.344 264 HG23 VAL 29 3HG2 VAL 29 247.065 1.999 4.009 265 H ILE 30 H ILE 30 245.700 -0.309 -0.089 266 HA ILE 30 HA ILE 30 248.549 -0.152 -0.763 267 HB ILE 30 HB ILE 30 248.249 -2.138 -2.304 268 HG12 ILE 30 1HG1 ILE 30 245.812 -2.539 -0.558 269 HG13 ILE 30 2HG1 ILE 30 245.826 -2.292 -2.298 270 HG21 ILE 30 1HG2 ILE 30 248.708 -3.774 -0.537 271 HG22 ILE 30 2HG2 ILE 30 248.127 -2.626 0.669 272 HG23 ILE 30 3HG2 ILE 30 249.573 -2.260 -0.270 273 HD11 ILE 30 1HD1 ILE 30 246.878 -4.683 -0.807 274 HD12 ILE 30 2HD1 ILE 30 247.019 -4.436 -2.547 275 HD13 ILE 30 3HD1 ILE 30 245.426 -4.606 -1.808 276 H CYS 31 H CYS 31 248.922 0.098 -3.090 277 HA CYS 31 HA CYS 31 246.945 1.935 -4.185 278 HB2 CYS 31 1HB CYS 31 248.707 2.667 -5.670 279 HB3 CYS 31 2HB CYS 31 249.364 2.567 -4.045 280 H ARG 32 H ARG 32 246.845 1.911 -6.696 281 HA ARG 32 HA ARG 32 245.725 -0.573 -7.503 282 HB2 ARG 32 1HB ARG 32 246.408 1.888 -9.109 283 HB3 ARG 32 2HB ARG 32 245.480 0.526 -9.715 284 HG2 ARG 32 1HG ARG 32 243.792 0.944 -7.971 285 HG3 ARG 32 2HG ARG 32 244.711 2.362 -7.464 286 HD2 ARG 32 1HD ARG 32 243.452 1.910 -10.166 287 HD3 ARG 32 2HD ARG 32 242.887 3.016 -8.917 288 HE ARG 32 HE ARG 32 245.572 3.385 -10.031 289 HH11 ARG 32 1HH1 ARG 32 242.274 4.506 -9.671 290 HH12 ARG 32 2HH1 ARG 32 242.608 6.085 -10.311 291 HH21 ARG 32 1HH2 ARG 32 246.008 5.471 -10.874 292 HH22 ARG 32 2HH2 ARG 32 244.724 6.632 -10.988 293 H GLU 33 H GLU 33 248.880 0.700 -7.564 294 HA GLU 33 HA GLU 33 249.827 -1.063 -9.653 295 HB2 GLU 33 1HB GLU 33 251.322 0.715 -7.712 296 HB3 GLU 33 2HB GLU 33 252.076 -0.208 -9.001 297 HG2 GLU 33 1HG GLU 33 251.894 2.028 -9.746 298 HG3 GLU 33 2HG GLU 33 250.697 1.088 -10.629 299 H HIS 34 H HIS 34 249.005 -1.337 -6.428 300 HA HIS 34 HA HIS 34 250.622 -3.774 -6.122 301 HB2 HIS 34 1HB HIS 34 250.296 -1.536 -4.117 302 HB3 HIS 34 2HB HIS 34 250.749 -3.161 -3.625 303 HD2 HIS 34 HD2 HIS 34 252.949 -3.653 -6.053 304 HE1 HIS 34 HE1 HIS 34 254.870 -0.375 -4.190 305 HE2 HIS 34 HE2 HIS 34 255.208 -2.485 -5.559 306 H ASN 35 H ASN 35 247.795 -3.353 -6.904 307 HA ASN 35 HA ASN 35 246.376 -4.026 -4.457 308 HB2 ASN 35 1HB ASN 35 244.283 -3.859 -5.853 309 HB3 ASN 35 2HB ASN 35 245.186 -2.378 -5.611 310 HD21 ASN 35 1HD2 ASN 35 246.271 -4.754 -7.948 311 HD22 ASN 35 2HD2 ASN 35 245.843 -3.826 -9.346 312 H ILE 36 H ILE 36 246.435 -6.017 -3.856 313 HA ILE 36 HA ILE 36 245.568 -8.075 -5.788 314 HB ILE 36 HB ILE 36 246.694 -8.616 -3.036 315 HG12 ILE 36 1HG1 ILE 36 248.302 -8.535 -5.599 316 HG13 ILE 36 2HG1 ILE 36 248.337 -7.278 -4.366 317 HG21 ILE 36 1HG2 ILE 36 246.546 -10.309 -5.527 318 HG22 ILE 36 2HG2 ILE 36 245.509 -10.450 -4.108 319 HG23 ILE 36 3HG2 ILE 36 247.231 -10.808 -3.980 320 HD11 ILE 36 1HD1 ILE 36 250.243 -8.758 -4.154 321 HD12 ILE 36 2HD1 ILE 36 249.168 -10.147 -3.991 322 HD13 ILE 36 3HD1 ILE 36 249.190 -8.898 -2.746 323 H ASP 37 H ASP 37 244.255 -5.907 -3.908 324 HA ASP 37 HA ASP 37 242.738 -5.630 -2.240 325 HB2 ASP 37 1HB ASP 37 241.733 -8.034 -3.695 326 HB3 ASP 37 2HB ASP 37 240.984 -7.624 -2.154 327 H MET 38 H MET 38 245.188 -7.082 -1.897 328 HA MET 38 HA MET 38 245.006 -7.853 0.811 329 HB2 MET 38 1HB MET 38 244.143 -9.941 -0.199 330 HB3 MET 38 2HB MET 38 245.557 -10.024 -1.239 331 HG2 MET 38 1HG MET 38 246.996 -10.385 0.646 332 HG3 MET 38 2HG MET 38 245.660 -10.126 1.767 333 HE1 MET 38 1HE MET 38 243.437 -13.265 1.209 334 HE2 MET 38 2HE MET 38 243.258 -11.699 0.419 335 HE3 MET 38 3HE MET 38 243.677 -11.781 2.130 336 H CYS 39 H CYS 39 247.098 -7.818 1.675 337 HA CYS 39 HA CYS 39 248.997 -6.538 -0.106 338 HB2 CYS 39 1HB CYS 39 250.070 -5.729 1.812 339 HB3 CYS 39 2HB CYS 39 248.370 -5.730 2.265 340 H GLN 40 H GLN 40 251.264 -7.158 -0.045 341 HA GLN 40 HA GLN 40 251.471 -9.864 -0.812 342 HB2 GLN 40 1HB GLN 40 253.670 -7.846 -0.360 343 HB3 GLN 40 2HB GLN 40 253.835 -9.368 -1.223 344 HG2 GLN 40 1HG GLN 40 252.161 -8.565 -2.860 345 HG3 GLN 40 2HG GLN 40 252.154 -7.010 -2.031 346 HE21 GLN 40 1HE2 GLN 40 253.975 -9.183 -4.030 347 HE22 GLN 40 2HE2 GLN 40 255.191 -8.050 -4.505 348 H SER 41 H SER 41 251.784 -8.393 2.240 349 HA SER 41 HA SER 41 253.559 -10.372 3.333 350 HB2 SER 41 1HB SER 41 251.792 -8.327 4.693 351 HB3 SER 41 2HB SER 41 252.991 -9.330 5.509 352 HG SER 41 HG SER 41 254.587 -8.360 4.177 353 H CYS 42 H CYS 42 250.101 -9.970 2.985 354 HA CYS 42 HA CYS 42 249.576 -12.339 4.609 355 HB2 CYS 42 1HB CYS 42 247.667 -10.549 3.083 356 HB3 CYS 42 2HB CYS 42 247.185 -11.906 4.092 357 H PHE 43 H PHE 43 250.143 -11.450 1.369 358 HA PHE 43 HA PHE 43 248.774 -13.737 0.227 359 HB2 PHE 43 1HB PHE 43 248.820 -11.497 -0.901 360 HB3 PHE 43 2HB PHE 43 250.550 -11.707 -1.142 361 HD1 PHE 43 HD1 PHE 43 247.240 -13.124 -1.977 362 HD2 PHE 43 HD2 PHE 43 251.375 -12.941 -2.960 363 HE1 PHE 43 HE1 PHE 43 246.788 -14.314 -4.080 364 HE2 PHE 43 HE2 PHE 43 250.930 -14.131 -5.067 365 HZ PHE 43 HZ PHE 43 248.635 -14.817 -5.629 Start of MODEL 7 1 H1 VAL 1 1H VAL 1 243.047 12.388 10.766 2 H2 VAL 1 2H VAL 1 242.221 13.615 11.582 3 H3 VAL 1 3H VAL 1 243.579 12.901 12.286 4 HA VAL 1 HA VAL 1 243.584 14.492 9.792 5 HB VAL 1 HB VAL 1 244.841 16.178 11.125 6 HG11 VAL 1 1HG1 VAL 1 242.893 17.119 12.264 7 HG12 VAL 1 2HG1 VAL 1 242.068 15.566 12.144 8 HG13 VAL 1 3HG1 VAL 1 242.457 16.473 10.682 9 HG21 VAL 1 1HG2 VAL 1 245.617 14.716 12.923 10 HG22 VAL 1 2HG2 VAL 1 243.957 14.519 13.487 11 HG23 VAL 1 3HG2 VAL 1 244.733 16.101 13.566 12 H MET 2 H MET 2 244.734 11.804 10.451 13 HA MET 2 HA MET 2 247.481 12.465 9.684 14 HB2 MET 2 1HB MET 2 247.470 11.905 12.102 15 HB3 MET 2 2HB MET 2 246.725 10.360 11.726 16 HG2 MET 2 1HG MET 2 248.709 9.706 10.460 17 HG3 MET 2 2HG MET 2 249.457 11.258 10.835 18 HE1 MET 2 1HE MET 2 251.608 10.007 11.829 19 HE2 MET 2 2HE MET 2 250.853 8.473 11.398 20 HE3 MET 2 3HE MET 2 251.500 8.713 13.021 21 H LYS 3 H LYS 3 246.761 11.992 7.572 22 HA LYS 3 HA LYS 3 245.538 9.433 7.025 23 HB2 LYS 3 1HB LYS 3 246.351 11.705 5.212 24 HB3 LYS 3 2HB LYS 3 245.553 10.240 4.659 25 HG2 LYS 3 1HG LYS 3 243.611 10.737 5.992 26 HG3 LYS 3 2HG LYS 3 244.412 12.147 6.687 27 HD2 LYS 3 1HD LYS 3 244.539 13.155 4.453 28 HD3 LYS 3 2HD LYS 3 243.701 11.753 3.783 29 HE2 LYS 3 1HE LYS 3 242.185 13.654 4.162 30 HE3 LYS 3 2HE LYS 3 241.745 12.246 5.123 31 HZ1 LYS 3 1HZ LYS 3 243.345 14.518 6.160 32 HZ2 LYS 3 2HZ LYS 3 242.696 13.236 7.052 33 HZ3 LYS 3 3HZ LYS 3 241.671 14.380 6.352 34 H LYS 4 H LYS 4 247.552 8.413 7.971 35 HA LYS 4 HA LYS 4 249.835 8.263 6.228 36 HB2 LYS 4 1HB LYS 4 250.074 8.016 8.672 37 HB3 LYS 4 2HB LYS 4 249.087 6.563 8.616 38 HG2 LYS 4 1HG LYS 4 251.444 6.009 8.778 39 HG3 LYS 4 2HG LYS 4 250.774 5.461 7.240 40 HD2 LYS 4 1HD LYS 4 251.687 7.474 6.154 41 HD3 LYS 4 2HD LYS 4 252.398 7.963 7.690 42 HE2 LYS 4 1HE LYS 4 253.773 5.952 7.706 43 HE3 LYS 4 2HE LYS 4 253.033 5.423 6.194 44 HZ1 LYS 4 1HZ LYS 4 253.934 7.410 5.123 45 HZ2 LYS 4 2HZ LYS 4 255.160 6.456 5.783 46 HZ3 LYS 4 3HZ LYS 4 254.677 7.867 6.573 47 H ARG 5 H ARG 5 247.017 6.326 6.985 48 HA ARG 5 HA ARG 5 247.789 4.311 5.024 49 HB2 ARG 5 1HB ARG 5 245.485 4.431 6.972 50 HB3 ARG 5 2HB ARG 5 245.732 3.123 5.822 51 HG2 ARG 5 1HG ARG 5 247.904 2.647 6.858 52 HG3 ARG 5 2HG ARG 5 247.604 3.927 8.035 53 HD2 ARG 5 1HD ARG 5 245.636 2.733 8.841 54 HD3 ARG 5 2HD ARG 5 245.908 1.463 7.646 55 HE ARG 5 HE ARG 5 248.172 1.907 9.345 56 HH11 ARG 5 1HH1 ARG 5 245.088 0.271 9.120 57 HH12 ARG 5 2HH1 ARG 5 245.540 -0.989 10.224 58 HH21 ARG 5 1HH2 ARG 5 248.761 0.247 10.801 59 HH22 ARG 5 2HH2 ARG 5 247.623 -1.012 11.167 60 H THR 6 H THR 6 247.279 6.852 4.035 61 HA THR 6 HA THR 6 244.887 6.312 2.408 62 HB THR 6 HB THR 6 246.235 8.979 2.896 63 HG1 THR 6 HG1 THR 6 244.880 7.800 4.618 64 HG21 THR 6 1HG2 THR 6 243.647 8.305 1.487 65 HG22 THR 6 2HG2 THR 6 245.133 8.856 0.713 66 HG23 THR 6 3HG2 THR 6 244.256 9.930 1.802 67 H TYR 7 H TYR 7 248.265 6.742 2.530 68 HA TYR 7 HA TYR 7 248.481 6.627 -0.393 69 HB2 TYR 7 1HB TYR 7 250.501 7.392 1.727 70 HB3 TYR 7 2HB TYR 7 250.914 7.160 0.031 71 HD1 TYR 7 HD1 TYR 7 248.993 9.251 2.386 72 HD2 TYR 7 HD2 TYR 7 250.428 8.827 -1.596 73 HE1 TYR 7 HE1 TYR 7 248.393 11.587 1.929 74 HE2 TYR 7 HE2 TYR 7 249.842 11.163 -2.063 75 HH TYR 7 HH TYR 7 248.225 12.879 -1.159 76 H CYS 8 H CYS 8 249.750 5.023 -1.332 77 HA CYS 8 HA CYS 8 249.271 2.473 -0.370 78 HB2 CYS 8 1HB CYS 8 249.657 2.865 -2.695 79 HB3 CYS 8 2HB CYS 8 251.278 3.461 -2.389 80 H THR 9 H THR 9 250.125 1.281 1.131 81 HA THR 9 HA THR 9 252.367 2.067 2.674 82 HB THR 9 HB THR 9 250.969 -0.616 2.572 83 HG1 THR 9 HG1 THR 9 250.057 1.771 3.312 84 HG21 THR 9 1HG2 THR 9 251.758 -0.869 4.875 85 HG22 THR 9 2HG2 THR 9 252.611 0.671 4.757 86 HG23 THR 9 3HG2 THR 9 253.110 -0.693 3.757 87 H TYR 10 H TYR 10 251.910 -0.109 -0.024 88 HA TYR 10 HA TYR 10 254.452 -1.389 0.146 89 HB2 TYR 10 1HB TYR 10 252.250 -1.270 -1.857 90 HB3 TYR 10 2HB TYR 10 253.836 -1.790 -2.413 91 HD1 TYR 10 HD1 TYR 10 252.213 -2.463 0.869 92 HD2 TYR 10 HD2 TYR 10 253.534 -4.049 -2.850 93 HE1 TYR 10 HE1 TYR 10 251.774 -4.737 1.690 94 HE2 TYR 10 HE2 TYR 10 253.101 -6.328 -2.040 95 HH TYR 10 HH TYR 10 251.408 -6.943 0.912 96 H CYS 11 H CYS 11 253.298 1.574 -1.200 97 HA CYS 11 HA CYS 11 255.755 2.037 -2.691 98 HB2 CYS 11 1HB CYS 11 253.176 3.546 -2.387 99 HB3 CYS 11 2HB CYS 11 254.599 4.342 -3.037 100 HA PRO 12 HA PRO 12 257.743 4.222 0.692 101 HB2 PRO 12 1HB PRO 12 259.002 5.762 -1.500 102 HB3 PRO 12 2HB PRO 12 259.760 4.844 -0.198 103 HG2 PRO 12 1HG PRO 12 259.749 3.960 -2.736 104 HG3 PRO 12 2HG PRO 12 259.654 2.856 -1.354 105 HD2 PRO 12 1HD PRO 12 257.510 3.749 -3.220 106 HD3 PRO 12 2HD PRO 12 257.737 2.179 -2.422 107 H SER 13 H SER 13 257.247 6.108 1.725 108 HA SER 13 HA SER 13 254.955 7.495 0.882 109 HB2 SER 13 1HB SER 13 256.954 8.293 3.005 110 HB3 SER 13 2HB SER 13 255.315 8.918 2.845 111 HG SER 13 HG SER 13 255.720 6.145 3.036 112 H LYS 14 H LYS 14 258.285 8.060 0.217 113 HA LYS 14 HA LYS 14 258.079 10.821 -0.450 114 HB2 LYS 14 1HB LYS 14 260.089 8.712 -1.235 115 HB3 LYS 14 2HB LYS 14 260.239 10.410 -1.659 116 HG2 LYS 14 1HG LYS 14 260.107 9.344 1.151 117 HG3 LYS 14 2HG LYS 14 261.588 9.780 0.295 118 HD2 LYS 14 1HD LYS 14 260.611 12.080 0.008 119 HD3 LYS 14 2HD LYS 14 259.325 11.591 1.113 120 HE2 LYS 14 1HE LYS 14 262.270 11.573 1.753 121 HE3 LYS 14 2HE LYS 14 261.138 12.834 2.233 122 HZ1 LYS 14 1HZ LYS 14 259.912 11.181 3.511 123 HZ2 LYS 14 2HZ LYS 14 261.518 11.277 4.024 124 HZ3 LYS 14 3HZ LYS 14 261.019 9.984 3.060 125 H ILE 15 H ILE 15 257.064 7.967 -2.016 126 HA ILE 15 HA ILE 15 257.305 8.987 -4.704 127 HB ILE 15 HB ILE 15 255.797 6.567 -3.702 128 HG12 ILE 15 1HG1 ILE 15 258.133 6.319 -3.195 129 HG13 ILE 15 2HG1 ILE 15 257.772 5.316 -4.594 130 HG21 ILE 15 1HG2 ILE 15 255.887 5.785 -6.016 131 HG22 ILE 15 2HG2 ILE 15 256.638 7.304 -6.501 132 HG23 ILE 15 3HG2 ILE 15 254.988 7.297 -5.878 133 HD11 ILE 15 1HD1 ILE 15 258.698 7.091 -6.043 134 HD12 ILE 15 2HD1 ILE 15 259.874 6.413 -4.920 135 HD13 ILE 15 3HD1 ILE 15 259.153 7.988 -4.594 136 H ARG 16 H ARG 16 255.010 9.095 -2.168 137 HA ARG 16 HA ARG 16 253.038 10.189 -1.892 138 HB2 ARG 16 1HB ARG 16 253.717 11.493 -4.536 139 HB3 ARG 16 2HB ARG 16 252.525 12.066 -3.376 140 HG2 ARG 16 1HG ARG 16 255.457 11.804 -2.759 141 HG3 ARG 16 2HG ARG 16 254.706 13.285 -3.356 142 HD2 ARG 16 1HD ARG 16 253.897 11.841 -0.835 143 HD3 ARG 16 2HD ARG 16 254.972 13.238 -0.891 144 HE ARG 16 HE ARG 16 252.498 13.761 -2.203 145 HH11 ARG 16 1HH1 ARG 16 253.964 13.514 0.967 146 HH12 ARG 16 2HH1 ARG 16 252.856 14.628 1.703 147 HH21 ARG 16 1HH2 ARG 16 251.045 15.221 -1.244 148 HH22 ARG 16 2HH2 ARG 16 251.199 15.602 0.441 149 H ARG 17 H ARG 17 253.012 7.630 -3.138 150 HA ARG 17 HA ARG 17 251.153 7.762 -5.358 151 HB2 ARG 17 1HB ARG 17 253.043 6.102 -5.249 152 HB3 ARG 17 2HB ARG 17 252.206 5.323 -3.915 153 HG2 ARG 17 1HG ARG 17 251.655 4.050 -5.791 154 HG3 ARG 17 2HG ARG 17 250.238 5.063 -5.509 155 HD2 ARG 17 1HD ARG 17 250.750 5.018 -7.873 156 HD3 ARG 17 2HD ARG 17 251.058 6.632 -7.237 157 HE ARG 17 HE ARG 17 253.435 5.131 -7.141 158 HH11 ARG 17 1HH1 ARG 17 251.289 6.599 -9.489 159 HH12 ARG 17 2HH1 ARG 17 252.541 6.848 -10.660 160 HH21 ARG 17 1HH2 ARG 17 255.077 5.458 -8.683 161 HH22 ARG 17 2HH2 ARG 17 254.699 6.211 -10.201 162 H LYS 18 H LYS 18 249.043 7.918 -5.031 163 HA LYS 18 HA LYS 18 247.896 7.600 -2.440 164 HB2 LYS 18 1HB LYS 18 246.649 8.083 -5.148 165 HB3 LYS 18 2HB LYS 18 245.716 7.987 -3.665 166 HG2 LYS 18 1HG LYS 18 246.000 10.272 -4.037 167 HG3 LYS 18 2HG LYS 18 247.202 9.878 -2.809 168 HD2 LYS 18 1HD LYS 18 248.941 9.803 -4.491 169 HD3 LYS 18 2HD LYS 18 247.756 10.087 -5.766 170 HE2 LYS 18 1HE LYS 18 248.466 11.988 -3.536 171 HE3 LYS 18 2HE LYS 18 248.970 12.128 -5.218 172 HZ1 LYS 18 1HZ LYS 18 246.583 12.274 -5.808 173 HZ2 LYS 18 2HZ LYS 18 247.127 13.562 -4.858 174 HZ3 LYS 18 3HZ LYS 18 246.208 12.330 -4.158 175 H ALA 19 H ALA 19 246.436 6.059 -1.719 176 HA ALA 19 HA ALA 19 246.593 3.508 -3.165 177 HB1 ALA 19 1HB ALA 19 246.252 2.415 -1.052 178 HB2 ALA 19 2HB ALA 19 245.978 3.963 -0.254 179 HB3 ALA 19 3HB ALA 19 247.571 3.574 -0.900 180 H ASN 20 H ASN 20 244.829 2.954 -4.237 181 HA ASN 20 HA ASN 20 242.213 3.747 -3.150 182 HB2 ASN 20 1HB ASN 20 242.971 2.988 -5.982 183 HB3 ASN 20 2HB ASN 20 241.325 3.294 -5.442 184 HD21 ASN 20 1HD2 ASN 20 244.372 4.693 -6.272 185 HD22 ASN 20 2HD2 ASN 20 243.855 6.341 -6.256 186 H ALA 21 H ALA 21 244.099 1.408 -2.612 187 HA ALA 21 HA ALA 21 241.987 -0.614 -2.583 188 HB1 ALA 21 1HB ALA 21 243.285 -1.232 -4.510 189 HB2 ALA 21 2HB ALA 21 243.668 -2.356 -3.206 190 HB3 ALA 21 3HB ALA 21 244.789 -1.058 -3.610 191 H SER 22 H SER 22 242.582 -2.409 -1.030 192 HA SER 22 HA SER 22 244.533 -1.722 0.991 193 HB2 SER 22 1HB SER 22 242.723 -1.777 2.795 194 HB3 SER 22 2HB SER 22 242.789 -0.326 1.798 195 HG SER 22 HG SER 22 241.192 -1.891 0.504 196 H CYS 23 H CYS 23 245.326 -3.523 1.940 197 HA CYS 23 HA CYS 23 244.237 -6.079 1.211 198 HB2 CYS 23 1HB CYS 23 246.651 -5.846 1.461 199 HB3 CYS 23 2HB CYS 23 246.456 -5.394 3.149 200 H LYS 24 H LYS 24 242.593 -7.026 2.205 201 HA LYS 24 HA LYS 24 241.496 -5.971 4.605 202 HB2 LYS 24 1HB LYS 24 240.131 -6.987 2.808 203 HB3 LYS 24 2HB LYS 24 240.837 -8.554 3.176 204 HG2 LYS 24 1HG LYS 24 238.619 -8.332 4.148 205 HG3 LYS 24 2HG LYS 24 239.852 -8.490 5.402 206 HD2 LYS 24 1HD LYS 24 239.830 -6.035 5.684 207 HD3 LYS 24 2HD LYS 24 238.532 -5.934 4.493 208 HE2 LYS 24 1HE LYS 24 237.070 -7.217 5.916 209 HE3 LYS 24 2HE LYS 24 238.376 -7.495 7.068 210 HZ1 LYS 24 1HZ LYS 24 237.143 -4.877 6.410 211 HZ2 LYS 24 2HZ LYS 24 238.456 -5.090 7.449 212 HZ3 LYS 24 3HZ LYS 24 236.953 -5.744 7.850 213 H LYS 25 H LYS 25 243.883 -8.340 3.953 214 HA LYS 25 HA LYS 25 243.590 -9.513 6.620 215 HB2 LYS 25 1HB LYS 25 245.179 -10.355 4.201 216 HB3 LYS 25 2HB LYS 25 245.379 -11.109 5.779 217 HG2 LYS 25 1HG LYS 25 243.035 -11.765 5.782 218 HG3 LYS 25 2HG LYS 25 242.804 -10.983 4.220 219 HD2 LYS 25 1HD LYS 25 244.761 -13.227 4.682 220 HD3 LYS 25 2HD LYS 25 243.098 -13.484 4.158 221 HE2 LYS 25 1HE LYS 25 243.563 -12.003 2.205 222 HE3 LYS 25 2HE LYS 25 245.252 -11.956 2.705 223 HZ1 LYS 25 1HZ LYS 25 243.842 -14.499 2.164 224 HZ2 LYS 25 2HZ LYS 25 245.512 -14.232 2.258 225 HZ3 LYS 25 3HZ LYS 25 244.629 -13.635 0.948 226 H CYS 26 H CYS 26 244.844 -6.808 5.698 227 HA CYS 26 HA CYS 26 246.937 -6.959 7.738 228 HB2 CYS 26 1HB CYS 26 247.330 -5.785 4.990 229 HB3 CYS 26 2HB CYS 26 248.367 -5.397 6.352 230 H LYS 27 H LYS 27 244.456 -5.238 6.116 231 HA LYS 27 HA LYS 27 243.405 -3.276 6.426 232 HB2 LYS 27 1HB LYS 27 244.874 -3.215 9.067 233 HB3 LYS 27 2HB LYS 27 243.545 -2.155 8.620 234 HG2 LYS 27 1HG LYS 27 242.105 -4.169 8.366 235 HG3 LYS 27 2HG LYS 27 243.437 -5.142 8.990 236 HD2 LYS 27 1HD LYS 27 242.067 -2.882 10.443 237 HD3 LYS 27 2HD LYS 27 241.814 -4.600 10.738 238 HE2 LYS 27 1HE LYS 27 244.152 -4.838 11.400 239 HE3 LYS 27 2HE LYS 27 244.422 -3.125 11.080 240 HZ1 LYS 27 1HZ LYS 27 242.595 -4.248 13.133 241 HZ2 LYS 27 2HZ LYS 27 242.802 -2.602 12.810 242 HZ3 LYS 27 3HZ LYS 27 244.088 -3.510 13.423 243 H LYS 28 H LYS 28 246.178 -3.557 5.342 244 HA LYS 28 HA LYS 28 247.131 -0.794 5.624 245 HB2 LYS 28 1HB LYS 28 248.516 -3.205 4.417 246 HB3 LYS 28 2HB LYS 28 249.211 -1.600 4.574 247 HG2 LYS 28 1HG LYS 28 248.362 -3.327 6.889 248 HG3 LYS 28 2HG LYS 28 250.010 -3.197 6.277 249 HD2 LYS 28 1HD LYS 28 249.945 -0.765 6.745 250 HD3 LYS 28 2HD LYS 28 248.343 -0.975 7.454 251 HE2 LYS 28 1HE LYS 28 250.061 -0.917 9.180 252 HE3 LYS 28 2HE LYS 28 249.273 -2.492 9.125 253 HZ1 LYS 28 1HZ LYS 28 251.884 -1.867 7.857 254 HZ2 LYS 28 2HZ LYS 28 251.146 -3.387 7.942 255 HZ3 LYS 28 3HZ LYS 28 251.698 -2.635 9.349 256 H VAL 29 H VAL 29 247.339 0.502 3.816 257 HA VAL 29 HA VAL 29 245.566 -0.276 1.647 258 HB VAL 29 HB VAL 29 245.650 2.102 0.991 259 HG11 VAL 29 1HG1 VAL 29 244.972 1.570 3.878 260 HG12 VAL 29 2HG1 VAL 29 243.913 1.341 2.488 261 HG13 VAL 29 3HG1 VAL 29 244.424 2.964 2.948 262 HG21 VAL 29 1HG2 VAL 29 247.370 2.416 3.448 263 HG22 VAL 29 2HG2 VAL 29 246.707 3.733 2.480 264 HG23 VAL 29 3HG2 VAL 29 247.895 2.634 1.779 265 H ILE 30 H ILE 30 246.115 -0.227 -0.509 266 HA ILE 30 HA ILE 30 248.959 0.089 -1.155 267 HB ILE 30 HB ILE 30 248.856 -1.955 -2.585 268 HG12 ILE 30 1HG1 ILE 30 246.253 -2.390 -1.100 269 HG13 ILE 30 2HG1 ILE 30 246.457 -2.188 -2.837 270 HG21 ILE 30 1HG2 ILE 30 248.428 -2.398 0.368 271 HG22 ILE 30 2HG2 ILE 30 249.957 -2.007 -0.419 272 HG23 ILE 30 3HG2 ILE 30 249.166 -3.549 -0.748 273 HD11 ILE 30 1HD1 ILE 30 246.090 -4.490 -2.410 274 HD12 ILE 30 2HD1 ILE 30 247.320 -4.514 -1.146 275 HD13 ILE 30 3HD1 ILE 30 247.794 -4.298 -2.829 276 H CYS 31 H CYS 31 249.356 0.422 -3.425 277 HA CYS 31 HA CYS 31 247.189 1.881 -4.676 278 HB2 CYS 31 1HB CYS 31 248.830 2.722 -6.217 279 HB3 CYS 31 2HB CYS 31 249.553 2.771 -4.620 280 H ARG 32 H ARG 32 246.339 1.397 -6.700 281 HA ARG 32 HA ARG 32 245.955 -1.361 -7.192 282 HB2 ARG 32 1HB ARG 32 245.237 1.038 -8.887 283 HB3 ARG 32 2HB ARG 32 244.664 -0.599 -9.169 284 HG2 ARG 32 1HG ARG 32 243.555 -0.582 -6.984 285 HG3 ARG 32 2HG ARG 32 244.108 1.074 -6.727 286 HD2 ARG 32 1HD ARG 32 242.285 0.130 -8.938 287 HD3 ARG 32 2HD ARG 32 241.792 1.023 -7.502 288 HE ARG 32 HE ARG 32 243.768 2.499 -8.842 289 HH11 ARG 32 1HH1 ARG 32 240.440 1.498 -9.244 290 HH12 ARG 32 2HH1 ARG 32 240.024 2.840 -10.260 291 HH21 ARG 32 1HH2 ARG 32 243.222 4.279 -10.166 292 HH22 ARG 32 2HH2 ARG 32 241.606 4.424 -10.785 293 H GLU 33 H GLU 33 248.330 0.840 -8.202 294 HA GLU 33 HA GLU 33 249.133 -0.531 -10.588 295 HB2 GLU 33 1HB GLU 33 249.577 1.912 -10.018 296 HB3 GLU 33 2HB GLU 33 250.803 1.336 -8.900 297 HG2 GLU 33 1HG GLU 33 251.875 1.979 -10.924 298 HG3 GLU 33 2HG GLU 33 251.934 0.222 -10.805 299 H HIS 34 H HIS 34 249.618 -0.901 -7.204 300 HA HIS 34 HA HIS 34 251.870 -2.730 -7.557 301 HB2 HIS 34 1HB HIS 34 250.757 -1.209 -5.312 302 HB3 HIS 34 2HB HIS 34 251.130 -2.877 -4.889 303 HD2 HIS 34 HD2 HIS 34 253.873 -3.070 -6.736 304 HE1 HIS 34 HE1 HIS 34 255.175 -0.031 -4.098 305 HE2 HIS 34 HE2 HIS 34 255.910 -1.921 -5.621 306 H ASN 35 H ASN 35 248.547 -2.709 -6.344 307 HA ASN 35 HA ASN 35 247.968 -5.197 -7.593 308 HB2 ASN 35 1HB ASN 35 249.152 -5.931 -5.451 309 HB3 ASN 35 2HB ASN 35 247.786 -5.242 -4.581 310 HD21 ASN 35 1HD2 ASN 35 248.894 -7.851 -6.551 311 HD22 ASN 35 2HD2 ASN 35 247.468 -8.822 -6.433 312 H ILE 36 H ILE 36 245.707 -5.754 -7.336 313 HA ILE 36 HA ILE 36 244.194 -3.326 -7.469 314 HB ILE 36 HB ILE 36 243.962 -5.200 -9.094 315 HG12 ILE 36 1HG1 ILE 36 241.459 -5.118 -9.190 316 HG13 ILE 36 2HG1 ILE 36 241.473 -4.325 -7.619 317 HG21 ILE 36 1HG2 ILE 36 244.074 -7.077 -7.570 318 HG22 ILE 36 2HG2 ILE 36 242.566 -7.128 -8.482 319 HG23 ILE 36 3HG2 ILE 36 242.565 -6.579 -6.806 320 HD11 ILE 36 1HD1 ILE 36 242.755 -3.256 -10.121 321 HD12 ILE 36 2HD1 ILE 36 242.697 -2.451 -8.553 322 HD13 ILE 36 3HD1 ILE 36 241.208 -2.738 -9.452 323 H ASP 37 H ASP 37 244.711 -5.704 -5.011 324 HA ASP 37 HA ASP 37 242.941 -4.401 -3.199 325 HB2 ASP 37 1HB ASP 37 241.247 -5.555 -4.534 326 HB3 ASP 37 2HB ASP 37 242.047 -7.092 -4.237 327 H MET 38 H MET 38 244.613 -7.461 -3.882 328 HA MET 38 HA MET 38 244.805 -7.961 -1.007 329 HB2 MET 38 1HB MET 38 245.380 -9.714 -3.399 330 HB3 MET 38 2HB MET 38 245.645 -10.212 -1.735 331 HG2 MET 38 1HG MET 38 243.273 -9.963 -1.263 332 HG3 MET 38 2HG MET 38 242.993 -9.416 -2.915 333 HE1 MET 38 1HE MET 38 241.073 -11.334 -3.109 334 HE2 MET 38 2HE MET 38 241.446 -11.805 -1.453 335 HE3 MET 38 3HE MET 38 241.379 -13.025 -2.723 336 H CYS 39 H CYS 39 246.830 -8.616 -0.045 337 HA CYS 39 HA CYS 39 249.171 -7.640 -1.532 338 HB2 CYS 39 1HB CYS 39 249.717 -6.208 0.096 339 HB3 CYS 39 2HB CYS 39 248.135 -6.507 0.787 340 H GLN 40 H GLN 40 250.995 -8.882 -1.449 341 HA GLN 40 HA GLN 40 250.496 -11.629 -0.637 342 HB2 GLN 40 1HB GLN 40 252.495 -12.145 -2.017 343 HB3 GLN 40 2HB GLN 40 251.225 -11.316 -2.906 344 HG2 GLN 40 1HG GLN 40 252.438 -9.220 -2.717 345 HG3 GLN 40 2HG GLN 40 253.695 -10.021 -1.779 346 HE21 GLN 40 1HE2 GLN 40 255.125 -11.409 -2.817 347 HE22 GLN 40 2HE2 GLN 40 255.301 -11.425 -4.537 348 H SER 41 H SER 41 251.225 -9.522 1.325 349 HA SER 41 HA SER 41 253.642 -10.824 2.385 350 HB2 SER 41 1HB SER 41 252.714 -7.997 2.937 351 HB3 SER 41 2HB SER 41 254.210 -8.743 3.501 352 HG SER 41 HG SER 41 253.515 -7.799 0.965 353 H CYS 42 H CYS 42 251.138 -11.945 2.785 354 HA CYS 42 HA CYS 42 251.113 -11.968 5.659 355 HB2 CYS 42 1HB CYS 42 248.574 -11.631 5.715 356 HB3 CYS 42 2HB CYS 42 249.582 -10.199 5.528 357 H PHE 43 H PHE 43 248.376 -12.828 3.665 358 HA PHE 43 HA PHE 43 249.035 -15.668 4.082 359 HB2 PHE 43 1HB PHE 43 246.271 -14.436 3.980 360 HB3 PHE 43 2HB PHE 43 246.645 -16.130 4.266 361 HD1 PHE 43 HD1 PHE 43 246.538 -12.788 5.708 362 HD2 PHE 43 HD2 PHE 43 247.533 -16.863 6.409 363 HE1 PHE 43 HE1 PHE 43 246.595 -12.348 8.124 364 HE2 PHE 43 HE2 PHE 43 247.597 -16.433 8.831 365 HZ PHE 43 HZ PHE 43 247.128 -14.174 9.692 Start of MODEL 8 1 H1 VAL 1 1H VAL 1 244.223 17.041 10.927 2 H2 VAL 1 2H VAL 1 243.453 16.345 12.259 3 H3 VAL 1 3H VAL 1 242.541 17.130 11.071 4 HA VAL 1 HA VAL 1 242.375 14.739 10.887 5 HB VAL 1 HB VAL 1 242.126 16.063 8.852 6 HG11 VAL 1 1HG1 VAL 1 245.109 15.767 8.539 7 HG12 VAL 1 2HG1 VAL 1 244.225 17.263 8.845 8 HG13 VAL 1 3HG1 VAL 1 244.014 16.409 7.315 9 HG21 VAL 1 1HG2 VAL 1 241.992 13.651 8.633 10 HG22 VAL 1 2HG2 VAL 1 243.737 13.554 8.399 11 HG23 VAL 1 3HG2 VAL 1 242.729 14.353 7.192 12 H MET 2 H MET 2 243.307 12.814 11.152 13 HA MET 2 HA MET 2 246.252 12.715 11.218 14 HB2 MET 2 1HB MET 2 244.327 11.291 13.071 15 HB3 MET 2 2HB MET 2 246.077 11.144 13.105 16 HG2 MET 2 1HG MET 2 246.298 13.466 13.731 17 HG3 MET 2 2HG MET 2 244.555 13.691 13.597 18 HE1 MET 2 1HE MET 2 246.178 14.557 16.177 19 HE2 MET 2 2HE MET 2 245.099 13.973 17.441 20 HE3 MET 2 3HE MET 2 244.433 14.733 15.996 21 H LYS 3 H LYS 3 246.309 11.874 9.109 22 HA LYS 3 HA LYS 3 245.376 9.088 8.917 23 HB2 LYS 3 1HB LYS 3 245.457 11.174 6.734 24 HB3 LYS 3 2HB LYS 3 245.197 9.461 6.445 25 HG2 LYS 3 1HG LYS 3 243.161 9.543 7.803 26 HG3 LYS 3 2HG LYS 3 243.419 11.269 8.071 27 HD2 LYS 3 1HD LYS 3 243.263 11.669 5.664 28 HD3 LYS 3 2HD LYS 3 243.022 9.943 5.388 29 HE2 LYS 3 1HE LYS 3 241.196 11.755 6.965 30 HE3 LYS 3 2HE LYS 3 240.906 11.173 5.326 31 HZ1 LYS 3 1HZ LYS 3 239.687 9.844 6.880 32 HZ2 LYS 3 2HZ LYS 3 241.074 9.519 7.783 33 HZ3 LYS 3 3HZ LYS 3 240.922 8.897 6.218 34 H LYS 4 H LYS 4 246.995 7.727 8.846 35 HA LYS 4 HA LYS 4 249.543 8.590 7.654 36 HB2 LYS 4 1HB LYS 4 248.954 6.347 9.594 37 HB3 LYS 4 2HB LYS 4 250.532 6.660 8.891 38 HG2 LYS 4 1HG LYS 4 249.004 8.557 10.659 39 HG3 LYS 4 2HG LYS 4 250.335 7.522 11.175 40 HD2 LYS 4 1HD LYS 4 250.514 9.690 9.081 41 HD3 LYS 4 2HD LYS 4 251.051 9.842 10.752 42 HE2 LYS 4 1HE LYS 4 252.133 7.890 8.720 43 HE3 LYS 4 2HE LYS 4 252.919 9.377 9.242 44 HZ1 LYS 4 1HZ LYS 4 252.312 7.038 10.967 45 HZ2 LYS 4 2HZ LYS 4 253.037 8.475 11.487 46 HZ3 LYS 4 3HZ LYS 4 253.837 7.475 10.383 47 H ARG 5 H ARG 5 246.813 6.865 6.991 48 HA ARG 5 HA ARG 5 248.241 5.006 5.214 49 HB2 ARG 5 1HB ARG 5 245.520 4.673 6.477 50 HB3 ARG 5 2HB ARG 5 246.268 3.541 5.362 51 HG2 ARG 5 1HG ARG 5 248.101 3.218 6.990 52 HG3 ARG 5 2HG ARG 5 247.229 4.259 8.118 53 HD2 ARG 5 1HD ARG 5 246.250 1.655 6.956 54 HD3 ARG 5 2HD ARG 5 246.792 1.922 8.612 55 HE ARG 5 HE ARG 5 244.847 3.582 8.678 56 HH11 ARG 5 1HH1 ARG 5 244.850 0.608 6.825 57 HH12 ARG 5 2HH1 ARG 5 243.122 0.447 6.847 58 HH21 ARG 5 1HH2 ARG 5 242.577 3.366 8.716 59 HH22 ARG 5 2HH2 ARG 5 241.829 2.016 7.924 60 H THR 6 H THR 6 247.778 7.586 4.337 61 HA THR 6 HA THR 6 245.497 7.371 2.528 62 HB THR 6 HB THR 6 247.431 9.646 3.006 63 HG1 THR 6 HG1 THR 6 244.810 9.030 3.880 64 HG21 THR 6 1HG2 THR 6 246.663 9.742 0.715 65 HG22 THR 6 2HG2 THR 6 245.844 10.991 1.653 66 HG23 THR 6 3HG2 THR 6 244.994 9.506 1.231 67 H TYR 7 H TYR 7 248.919 7.035 2.598 68 HA TYR 7 HA TYR 7 248.981 6.865 -0.330 69 HB2 TYR 7 1HB TYR 7 251.152 7.507 1.661 70 HB3 TYR 7 2HB TYR 7 251.491 7.113 -0.024 71 HD1 TYR 7 HD1 TYR 7 250.974 8.657 -1.787 72 HD2 TYR 7 HD2 TYR 7 249.976 9.585 2.237 73 HE1 TYR 7 HE1 TYR 7 250.560 10.984 -2.437 74 HE2 TYR 7 HE2 TYR 7 249.556 11.921 1.601 75 HH TYR 7 HH TYR 7 250.114 13.493 -0.130 76 H CYS 8 H CYS 8 249.902 5.155 -1.331 77 HA CYS 8 HA CYS 8 249.328 2.648 -0.275 78 HB2 CYS 8 1HB CYS 8 249.341 2.985 -2.628 79 HB3 CYS 8 2HB CYS 8 251.011 3.522 -2.615 80 H THR 9 H THR 9 250.361 1.257 0.936 81 HA THR 9 HA THR 9 252.771 1.949 2.259 82 HB THR 9 HB THR 9 251.361 -0.724 2.188 83 HG1 THR 9 HG1 THR 9 250.654 1.690 3.264 84 HG21 THR 9 1HG2 THR 9 252.365 -1.058 4.393 85 HG22 THR 9 2HG2 THR 9 253.189 0.496 4.260 86 HG23 THR 9 3HG2 THR 9 253.607 -0.821 3.163 87 H TYR 10 H TYR 10 252.065 0.094 -0.586 88 HA TYR 10 HA TYR 10 254.663 -1.202 -0.581 89 HB2 TYR 10 1HB TYR 10 252.246 -1.393 -2.349 90 HB3 TYR 10 2HB TYR 10 253.791 -2.076 -2.851 91 HD1 TYR 10 HD1 TYR 10 251.477 -2.081 0.078 92 HD2 TYR 10 HD2 TYR 10 254.266 -4.256 -2.279 93 HE1 TYR 10 HE1 TYR 10 251.039 -4.081 1.426 94 HE2 TYR 10 HE2 TYR 10 253.832 -6.270 -0.940 95 HH TYR 10 HH TYR 10 253.022 -6.735 1.432 96 H CYS 11 H CYS 11 253.249 1.649 -1.769 97 HA CYS 11 HA CYS 11 255.252 2.041 -3.824 98 HB2 CYS 11 1HB CYS 11 252.948 3.654 -2.798 99 HB3 CYS 11 2HB CYS 11 254.212 4.445 -3.727 100 HA PRO 12 HA PRO 12 258.394 3.320 -0.990 101 HB2 PRO 12 1HB PRO 12 259.297 4.937 -3.314 102 HB3 PRO 12 2HB PRO 12 260.195 3.769 -2.341 103 HG2 PRO 12 1HG PRO 12 259.353 3.167 -4.804 104 HG3 PRO 12 2HG PRO 12 259.368 1.958 -3.506 105 HD2 PRO 12 1HD PRO 12 257.075 3.434 -4.699 106 HD3 PRO 12 2HD PRO 12 257.149 1.782 -4.054 107 H SER 13 H SER 13 258.845 5.061 0.283 108 HA SER 13 HA SER 13 256.799 6.964 0.537 109 HB2 SER 13 1HB SER 13 259.532 7.010 1.827 110 HB3 SER 13 2HB SER 13 258.077 7.823 2.406 111 HG SER 13 HG SER 13 257.217 5.492 2.300 112 H LYS 14 H LYS 14 259.751 7.067 -1.265 113 HA LYS 14 HA LYS 14 259.640 9.963 -1.506 114 HB2 LYS 14 1HB LYS 14 261.546 7.873 -2.506 115 HB3 LYS 14 2HB LYS 14 261.567 9.494 -3.181 116 HG2 LYS 14 1HG LYS 14 263.225 9.400 -1.485 117 HG3 LYS 14 2HG LYS 14 261.893 10.372 -0.867 118 HD2 LYS 14 1HD LYS 14 261.056 8.352 0.323 119 HD3 LYS 14 2HD LYS 14 262.509 7.500 -0.199 120 HE2 LYS 14 1HE LYS 14 262.817 8.297 2.054 121 HE3 LYS 14 2HE LYS 14 263.880 9.188 0.966 122 HZ1 LYS 14 1HZ LYS 14 261.266 10.169 1.981 123 HZ2 LYS 14 2HZ LYS 14 262.340 11.030 0.997 124 HZ3 LYS 14 3HZ LYS 14 262.779 10.630 2.578 125 H ILE 15 H ILE 15 257.989 7.485 -2.838 126 HA ILE 15 HA ILE 15 257.676 8.743 -5.464 127 HB ILE 15 HB ILE 15 256.528 6.182 -4.337 128 HG12 ILE 15 1HG1 ILE 15 258.933 6.087 -4.819 129 HG13 ILE 15 2HG1 ILE 15 258.019 5.068 -5.924 130 HG21 ILE 15 1HG2 ILE 15 254.969 7.180 -5.922 131 HG22 ILE 15 2HG2 ILE 15 255.700 5.719 -6.587 132 HG23 ILE 15 3HG2 ILE 15 256.256 7.304 -7.121 133 HD11 ILE 15 1HD1 ILE 15 259.764 6.235 -7.100 134 HD12 ILE 15 2HD1 ILE 15 259.159 7.785 -6.519 135 HD13 ILE 15 3HD1 ILE 15 258.189 6.823 -7.632 136 H ARG 16 H ARG 16 255.838 7.872 -2.565 137 HA ARG 16 HA ARG 16 253.918 8.668 -1.655 138 HB2 ARG 16 1HB ARG 16 254.647 11.132 -3.243 139 HB3 ARG 16 2HB ARG 16 253.437 11.075 -1.969 140 HG2 ARG 16 1HG ARG 16 255.142 10.503 -0.342 141 HG3 ARG 16 2HG ARG 16 256.368 10.485 -1.612 142 HD2 ARG 16 1HD ARG 16 256.490 12.579 -0.436 143 HD3 ARG 16 2HD ARG 16 255.870 12.868 -2.060 144 HE ARG 16 HE ARG 16 253.890 12.534 0.042 145 HH11 ARG 16 1HH1 ARG 16 255.734 14.730 -1.954 146 HH12 ARG 16 2HH1 ARG 16 254.684 16.080 -1.666 147 HH21 ARG 16 1HH2 ARG 16 252.509 14.316 0.439 148 HH22 ARG 16 2HH2 ARG 16 252.862 15.849 -0.292 149 H ARG 17 H ARG 17 252.883 7.028 -3.048 150 HA ARG 17 HA ARG 17 251.148 8.281 -5.065 151 HB2 ARG 17 1HB ARG 17 252.578 6.474 -5.945 152 HB3 ARG 17 2HB ARG 17 251.898 5.366 -4.760 153 HG2 ARG 17 1HG ARG 17 249.729 5.518 -5.783 154 HG3 ARG 17 2HG ARG 17 250.298 6.764 -6.895 155 HD2 ARG 17 1HD ARG 17 251.833 5.178 -7.915 156 HD3 ARG 17 2HD ARG 17 251.334 3.932 -6.772 157 HE ARG 17 HE ARG 17 249.018 4.712 -7.999 158 HH11 ARG 17 1HH1 ARG 17 252.111 3.527 -9.110 159 HH12 ARG 17 2HH1 ARG 17 251.457 2.680 -10.479 160 HH21 ARG 17 1HH2 ARG 17 248.133 3.614 -9.808 161 HH22 ARG 17 2HH2 ARG 17 249.186 2.751 -10.883 162 H LYS 18 H LYS 18 249.058 8.411 -4.663 163 HA LYS 18 HA LYS 18 247.967 7.948 -2.138 164 HB2 LYS 18 1HB LYS 18 246.498 8.186 -4.773 165 HB3 LYS 18 2HB LYS 18 245.792 8.406 -3.182 166 HG2 LYS 18 1HG LYS 18 248.027 10.126 -4.212 167 HG3 LYS 18 2HG LYS 18 246.327 10.499 -4.486 168 HD2 LYS 18 1HD LYS 18 246.020 10.414 -1.990 169 HD3 LYS 18 2HD LYS 18 247.778 10.310 -1.853 170 HE2 LYS 18 1HE LYS 18 248.014 12.433 -3.016 171 HE3 LYS 18 2HE LYS 18 246.268 12.533 -3.225 172 HZ1 LYS 18 1HZ LYS 18 247.770 12.649 -0.669 173 HZ2 LYS 18 2HZ LYS 18 246.084 12.553 -0.769 174 HZ3 LYS 18 3HZ LYS 18 246.891 13.897 -1.397 175 H ALA 19 H ALA 19 246.772 6.321 -1.245 176 HA ALA 19 HA ALA 19 246.810 3.751 -2.607 177 HB1 ALA 19 1HB ALA 19 246.138 2.811 -0.494 178 HB2 ALA 19 2HB ALA 19 245.829 4.418 0.164 179 HB3 ALA 19 3HB ALA 19 247.475 3.928 -0.234 180 H ASN 20 H ASN 20 245.007 2.583 -3.188 181 HA ASN 20 HA ASN 20 242.503 4.140 -3.295 182 HB2 ASN 20 1HB ASN 20 243.267 2.005 -5.282 183 HB3 ASN 20 2HB ASN 20 242.051 3.264 -5.449 184 HD21 ASN 20 1HD2 ASN 20 242.706 5.372 -5.959 185 HD22 ASN 20 2HD2 ASN 20 244.279 5.703 -6.597 186 H ALA 21 H ALA 21 243.955 1.471 -1.989 187 HA ALA 21 HA ALA 21 241.424 0.290 -1.235 188 HB1 ALA 21 1HB ALA 21 243.502 -1.335 -2.706 189 HB2 ALA 21 2HB ALA 21 241.929 -0.863 -3.341 190 HB3 ALA 21 3HB ALA 21 242.030 -1.963 -1.969 191 H SER 22 H SER 22 242.071 -1.811 0.152 192 HA SER 22 HA SER 22 244.544 -1.442 1.606 193 HB2 SER 22 1HB SER 22 242.937 0.168 2.657 194 HB3 SER 22 2HB SER 22 241.890 -1.196 3.045 195 HG SER 22 HG SER 22 244.592 -0.996 3.891 196 H CYS 23 H CYS 23 245.203 -3.301 2.628 197 HA CYS 23 HA CYS 23 243.734 -5.712 2.100 198 HB2 CYS 23 1HB CYS 23 246.237 -5.654 2.135 199 HB3 CYS 23 2HB CYS 23 246.169 -5.357 3.871 200 H LYS 24 H LYS 24 242.017 -6.251 3.257 201 HA LYS 24 HA LYS 24 241.300 -4.898 5.639 202 HB2 LYS 24 1HB LYS 24 239.821 -6.059 3.831 203 HB3 LYS 24 2HB LYS 24 240.071 -7.506 4.798 204 HG2 LYS 24 1HG LYS 24 238.011 -6.550 5.476 205 HG3 LYS 24 2HG LYS 24 239.177 -6.234 6.763 206 HD2 LYS 24 1HD LYS 24 239.519 -3.970 5.905 207 HD3 LYS 24 2HD LYS 24 238.373 -4.284 4.602 208 HE2 LYS 24 1HE LYS 24 237.283 -3.033 6.349 209 HE3 LYS 24 2HE LYS 24 236.613 -4.663 6.288 210 HZ1 LYS 24 1HZ LYS 24 237.022 -3.944 8.558 211 HZ2 LYS 24 2HZ LYS 24 238.661 -3.713 8.218 212 HZ3 LYS 24 3HZ LYS 24 238.000 -5.266 8.168 213 H LYS 25 H LYS 25 243.246 -7.603 5.043 214 HA LYS 25 HA LYS 25 242.855 -8.848 7.611 215 HB2 LYS 25 1HB LYS 25 244.851 -9.328 5.400 216 HB3 LYS 25 2HB LYS 25 244.789 -10.273 6.881 217 HG2 LYS 25 1HG LYS 25 242.608 -11.097 6.342 218 HG3 LYS 25 2HG LYS 25 242.492 -10.013 4.954 219 HD2 LYS 25 1HD LYS 25 244.242 -11.183 3.813 220 HD3 LYS 25 2HD LYS 25 244.595 -12.152 5.243 221 HE2 LYS 25 1HE LYS 25 241.980 -12.206 3.743 222 HE3 LYS 25 2HE LYS 25 243.290 -13.362 3.505 223 HZ1 LYS 25 1HZ LYS 25 243.074 -14.047 5.798 224 HZ2 LYS 25 2HZ LYS 25 241.589 -14.202 5.010 225 HZ3 LYS 25 3HZ LYS 25 241.852 -12.910 6.065 226 H CYS 26 H CYS 26 245.155 -6.602 6.163 227 HA CYS 26 HA CYS 26 246.736 -6.740 8.648 228 HB2 CYS 26 1HB CYS 26 247.936 -6.128 5.962 229 HB3 CYS 26 2HB CYS 26 248.745 -6.659 7.433 230 H LYS 27 H LYS 27 244.781 -4.736 6.920 231 HA LYS 27 HA LYS 27 244.237 -2.551 7.192 232 HB2 LYS 27 1HB LYS 27 246.438 -2.553 9.259 233 HB3 LYS 27 2HB LYS 27 245.319 -1.225 8.993 234 HG2 LYS 27 1HG LYS 27 244.456 -4.003 9.768 235 HG3 LYS 27 2HG LYS 27 244.764 -2.708 10.926 236 HD2 LYS 27 1HD LYS 27 243.037 -1.343 9.824 237 HD3 LYS 27 2HD LYS 27 242.714 -2.672 8.709 238 HE2 LYS 27 1HE LYS 27 241.086 -2.605 10.538 239 HE3 LYS 27 2HE LYS 27 242.035 -4.088 10.563 240 HZ1 LYS 27 1HZ LYS 27 242.565 -1.712 12.264 241 HZ2 LYS 27 2HZ LYS 27 243.372 -3.198 12.337 242 HZ3 LYS 27 3HZ LYS 27 241.742 -3.100 12.773 243 H LYS 28 H LYS 28 246.989 -3.568 5.806 244 HA LYS 28 HA LYS 28 248.363 -1.085 5.405 245 HB2 LYS 28 1HB LYS 28 248.582 -3.748 3.994 246 HB3 LYS 28 2HB LYS 28 249.614 -2.370 3.647 247 HG2 LYS 28 1HG LYS 28 250.515 -2.432 5.884 248 HG3 LYS 28 2HG LYS 28 249.409 -3.736 6.323 249 HD2 LYS 28 1HD LYS 28 250.460 -5.222 4.738 250 HD3 LYS 28 2HD LYS 28 251.483 -3.916 4.139 251 HE2 LYS 28 1HE LYS 28 251.529 -4.970 6.966 252 HE3 LYS 28 2HE LYS 28 252.642 -5.474 5.695 253 HZ1 LYS 28 1HZ LYS 28 253.411 -3.192 5.514 254 HZ2 LYS 28 2HZ LYS 28 253.615 -3.767 7.090 255 HZ3 LYS 28 3HZ LYS 28 252.346 -2.707 6.735 256 H VAL 29 H VAL 29 247.940 0.442 3.916 257 HA VAL 29 HA VAL 29 245.777 -0.051 2.038 258 HB VAL 29 HB VAL 29 245.925 2.367 1.522 259 HG11 VAL 29 1HG1 VAL 29 244.389 1.565 3.212 260 HG12 VAL 29 2HG1 VAL 29 245.044 3.133 3.679 261 HG13 VAL 29 3HG1 VAL 29 245.653 1.660 4.437 262 HG21 VAL 29 1HG2 VAL 29 248.303 2.690 2.008 263 HG22 VAL 29 2HG2 VAL 29 247.984 2.419 3.721 264 HG23 VAL 29 3HG2 VAL 29 247.294 3.824 2.906 265 H ILE 30 H ILE 30 245.937 0.173 -0.179 266 HA ILE 30 HA ILE 30 248.646 0.117 -1.297 267 HB ILE 30 HB ILE 30 247.905 -1.923 -2.657 268 HG12 ILE 30 1HG1 ILE 30 245.812 -1.885 -0.485 269 HG13 ILE 30 2HG1 ILE 30 245.577 -2.036 -2.220 270 HG21 ILE 30 1HG2 ILE 30 248.405 -2.207 0.304 271 HG22 ILE 30 2HG2 ILE 30 249.630 -2.023 -0.952 272 HG23 ILE 30 3HG2 ILE 30 248.634 -3.477 -0.899 273 HD11 ILE 30 1HD1 ILE 30 246.644 -4.272 -2.104 274 HD12 ILE 30 2HD1 ILE 30 245.141 -4.144 -1.193 275 HD13 ILE 30 3HD1 ILE 30 246.692 -4.108 -0.350 276 H CYS 31 H CYS 31 248.750 0.471 -3.547 277 HA CYS 31 HA CYS 31 246.579 2.115 -4.569 278 HB2 CYS 31 1HB CYS 31 248.148 2.792 -6.288 279 HB3 CYS 31 2HB CYS 31 248.973 2.842 -4.734 280 H ARG 32 H ARG 32 246.035 1.849 -6.954 281 HA ARG 32 HA ARG 32 244.924 -0.726 -7.331 282 HB2 ARG 32 1HB ARG 32 245.182 1.628 -9.192 283 HB3 ARG 32 2HB ARG 32 244.340 0.152 -9.626 284 HG2 ARG 32 1HG ARG 32 243.633 1.989 -7.353 285 HG3 ARG 32 2HG ARG 32 242.791 1.868 -8.897 286 HD2 ARG 32 1HD ARG 32 243.017 -0.264 -6.777 287 HD3 ARG 32 2HD ARG 32 241.570 0.630 -7.233 288 HE ARG 32 HE ARG 32 242.684 -0.780 -9.449 289 HH11 ARG 32 1HH1 ARG 32 240.729 -1.182 -6.572 290 HH12 ARG 32 2HH1 ARG 32 239.901 -2.584 -7.179 291 HH21 ARG 32 1HH2 ARG 32 241.594 -2.622 -10.247 292 HH22 ARG 32 2HH2 ARG 32 240.380 -3.387 -9.271 293 H GLU 33 H GLU 33 248.038 0.287 -7.833 294 HA GLU 33 HA GLU 33 248.527 -1.589 -10.018 295 HB2 GLU 33 1HB GLU 33 249.533 0.687 -10.080 296 HB3 GLU 33 2HB GLU 33 250.429 0.297 -8.620 297 HG2 GLU 33 1HG GLU 33 251.537 -1.541 -9.844 298 HG3 GLU 33 2HG GLU 33 250.708 -1.016 -11.310 299 H HIS 34 H HIS 34 248.734 -1.299 -6.601 300 HA HIS 34 HA HIS 34 250.557 -3.616 -6.462 301 HB2 HIS 34 1HB HIS 34 250.220 -1.261 -4.618 302 HB3 HIS 34 2HB HIS 34 250.920 -2.766 -4.043 303 HD2 HIS 34 HD2 HIS 34 252.766 -3.254 -6.793 304 HE1 HIS 34 HE1 HIS 34 254.601 0.302 -5.417 305 HE2 HIS 34 HE2 HIS 34 254.751 -1.608 -7.085 306 H ASN 35 H ASN 35 247.412 -3.075 -6.417 307 HA ASN 35 HA ASN 35 246.890 -4.503 -3.925 308 HB2 ASN 35 1HB ASN 35 244.613 -3.790 -4.043 309 HB3 ASN 35 2HB ASN 35 245.624 -2.388 -4.358 310 HD21 ASN 35 1HD2 ASN 35 242.804 -3.081 -5.066 311 HD22 ASN 35 2HD2 ASN 35 242.711 -2.840 -6.775 312 H ILE 36 H ILE 36 246.231 -6.491 -3.833 313 HA ILE 36 HA ILE 36 245.043 -7.721 -6.231 314 HB ILE 36 HB ILE 36 245.884 -9.917 -5.317 315 HG12 ILE 36 1HG1 ILE 36 247.589 -8.104 -3.595 316 HG13 ILE 36 2HG1 ILE 36 246.317 -9.170 -3.013 317 HG21 ILE 36 1HG2 ILE 36 247.962 -7.881 -6.110 318 HG22 ILE 36 2HG2 ILE 36 246.963 -8.834 -7.207 319 HG23 ILE 36 3HG2 ILE 36 248.161 -9.631 -6.186 320 HD11 ILE 36 1HD1 ILE 36 247.593 -11.105 -3.753 321 HD12 ILE 36 2HD1 ILE 36 248.521 -10.112 -2.628 322 HD13 ILE 36 3HD1 ILE 36 248.861 -10.040 -4.357 323 H ASP 37 H ASP 37 243.696 -6.220 -4.325 324 HA ASP 37 HA ASP 37 241.993 -6.137 -2.849 325 HB2 ASP 37 1HB ASP 37 241.592 -8.993 -3.738 326 HB3 ASP 37 2HB ASP 37 240.470 -8.122 -2.695 327 H MET 38 H MET 38 244.687 -7.228 -2.212 328 HA MET 38 HA MET 38 244.435 -7.283 0.568 329 HB2 MET 38 1HB MET 38 245.202 -9.560 1.050 330 HB3 MET 38 2HB MET 38 243.667 -9.609 0.202 331 HG2 MET 38 1HG MET 38 244.822 -10.154 -1.874 332 HG3 MET 38 2HG MET 38 246.370 -10.086 -1.032 333 HE1 MET 38 1HE MET 38 242.954 -11.949 -1.399 334 HE2 MET 38 2HE MET 38 242.949 -11.562 0.322 335 HE3 MET 38 3HE MET 38 243.097 -13.237 -0.204 336 H CYS 39 H CYS 39 246.818 -8.072 1.388 337 HA CYS 39 HA CYS 39 248.593 -6.640 -0.458 338 HB2 CYS 39 1HB CYS 39 249.789 -5.785 1.357 339 HB3 CYS 39 2HB CYS 39 248.119 -5.716 1.893 340 H GLN 40 H GLN 40 250.684 -7.384 -0.830 341 HA GLN 40 HA GLN 40 250.779 -10.184 -1.220 342 HB2 GLN 40 1HB GLN 40 252.908 -8.074 -1.574 343 HB3 GLN 40 2HB GLN 40 253.064 -9.741 -2.107 344 HG2 GLN 40 1HG GLN 40 251.113 -9.432 -3.573 345 HG3 GLN 40 2HG GLN 40 251.032 -7.744 -3.073 346 HE21 GLN 40 1HE2 GLN 40 252.849 -10.122 -4.848 347 HE22 GLN 40 2HE2 GLN 40 253.812 -9.001 -5.752 348 H SER 41 H SER 41 251.583 -8.323 1.467 349 HA SER 41 HA SER 41 253.765 -9.850 2.461 350 HB2 SER 41 1HB SER 41 253.124 -7.525 3.217 351 HB3 SER 41 2HB SER 41 251.778 -8.253 4.091 352 HG SER 41 HG SER 41 254.461 -9.075 4.469 353 H CYS 42 H CYS 42 250.384 -10.396 2.272 354 HA CYS 42 HA CYS 42 250.672 -12.687 4.097 355 HB2 CYS 42 1HB CYS 42 248.259 -12.490 4.568 356 HB3 CYS 42 2HB CYS 42 249.135 -11.032 5.024 357 H PHE 43 H PHE 43 250.774 -12.042 0.998 358 HA PHE 43 HA PHE 43 249.218 -14.415 0.226 359 HB2 PHE 43 1HB PHE 43 248.195 -12.325 -0.647 360 HB3 PHE 43 2HB PHE 43 249.704 -11.956 -1.473 361 HD1 PHE 43 HD1 PHE 43 246.826 -14.247 -1.372 362 HD2 PHE 43 HD2 PHE 43 250.272 -13.006 -3.532 363 HE1 PHE 43 HE1 PHE 43 246.062 -15.529 -3.327 364 HE2 PHE 43 HE2 PHE 43 249.516 -14.287 -5.488 365 HZ PHE 43 HZ PHE 43 247.406 -15.551 -5.388 Start of MODEL 9 1 H1 VAL 1 1H VAL 1 254.518 13.129 7.345 2 H2 VAL 1 2H VAL 1 253.993 11.714 8.106 3 H3 VAL 1 3H VAL 1 253.681 13.215 8.810 4 HA VAL 1 HA VAL 1 252.231 13.828 7.040 5 HB VAL 1 HB VAL 1 251.584 12.166 5.320 6 HG11 VAL 1 1HG1 VAL 1 253.590 12.387 3.922 7 HG12 VAL 1 2HG1 VAL 1 254.518 12.865 5.343 8 HG13 VAL 1 3HG1 VAL 1 253.206 13.889 4.762 9 HG21 VAL 1 1HG2 VAL 1 253.006 10.213 4.907 10 HG22 VAL 1 2HG2 VAL 1 252.234 10.125 6.490 11 HG23 VAL 1 3HG2 VAL 1 253.932 10.581 6.363 12 H MET 2 H MET 2 250.053 13.487 7.334 13 HA MET 2 HA MET 2 249.385 11.597 9.461 14 HB2 MET 2 1HB MET 2 247.743 13.830 8.241 15 HB3 MET 2 2HB MET 2 247.277 12.863 9.633 16 HG2 MET 2 1HG MET 2 249.132 13.761 10.909 17 HG3 MET 2 2HG MET 2 249.673 14.681 9.507 18 HE1 MET 2 1HE MET 2 245.766 15.496 11.824 19 HE2 MET 2 2HE MET 2 246.940 14.254 12.259 20 HE3 MET 2 3HE MET 2 245.974 14.080 10.794 21 H LYS 3 H LYS 3 247.626 10.146 9.295 22 HA LYS 3 HA LYS 3 246.281 8.613 8.309 23 HB2 LYS 3 1HB LYS 3 245.987 10.861 6.333 24 HB3 LYS 3 2HB LYS 3 245.155 9.326 6.119 25 HG2 LYS 3 1HG LYS 3 244.898 11.039 8.579 26 HG3 LYS 3 2HG LYS 3 243.794 11.109 7.204 27 HD2 LYS 3 1HD LYS 3 243.240 8.750 7.521 28 HD3 LYS 3 2HD LYS 3 244.362 8.662 8.877 29 HE2 LYS 3 1HE LYS 3 241.949 10.466 8.755 30 HE3 LYS 3 2HE LYS 3 241.993 8.902 9.564 31 HZ1 LYS 3 1HZ LYS 3 243.617 11.290 10.253 32 HZ2 LYS 3 2HZ LYS 3 243.785 9.774 10.982 33 HZ3 LYS 3 3HZ LYS 3 242.343 10.637 11.156 34 H LYS 4 H LYS 4 248.156 7.303 8.119 35 HA LYS 4 HA LYS 4 249.582 7.165 5.643 36 HB2 LYS 4 1HB LYS 4 249.525 5.387 8.075 37 HB3 LYS 4 2HB LYS 4 250.464 4.988 6.647 38 HG2 LYS 4 1HG LYS 4 251.975 6.005 8.117 39 HG3 LYS 4 2HG LYS 4 251.588 7.244 6.924 40 HD2 LYS 4 1HD LYS 4 251.565 8.302 9.050 41 HD3 LYS 4 2HD LYS 4 249.882 8.126 8.550 42 HE2 LYS 4 1HE LYS 4 249.655 6.156 9.965 43 HE3 LYS 4 2HE LYS 4 251.348 6.284 10.439 44 HZ1 LYS 4 1HZ LYS 4 249.868 7.208 12.111 45 HZ2 LYS 4 2HZ LYS 4 249.250 8.312 10.990 46 HZ3 LYS 4 3HZ LYS 4 250.869 8.409 11.467 47 H ARG 5 H ARG 5 246.690 5.810 6.901 48 HA ARG 5 HA ARG 5 246.543 3.624 5.054 49 HB2 ARG 5 1HB ARG 5 244.557 4.874 6.922 50 HB3 ARG 5 2HB ARG 5 244.065 3.654 5.758 51 HG2 ARG 5 1HG ARG 5 245.767 2.126 6.744 52 HG3 ARG 5 2HG ARG 5 246.056 3.342 7.991 53 HD2 ARG 5 1HD ARG 5 243.729 3.208 8.684 54 HD3 ARG 5 2HD ARG 5 243.399 2.041 7.405 55 HE ARG 5 HE ARG 5 245.484 1.103 9.067 56 HH11 ARG 5 1HH1 ARG 5 242.028 1.607 9.050 57 HH12 ARG 5 2HH1 ARG 5 241.703 0.335 10.182 58 HH21 ARG 5 1HH2 ARG 5 245.063 -0.585 10.565 59 HH22 ARG 5 2HH2 ARG 5 243.424 -0.907 11.043 60 H THR 6 H THR 6 246.655 6.685 4.317 61 HA THR 6 HA THR 6 244.561 6.573 2.265 62 HB THR 6 HB THR 6 246.329 8.893 3.083 63 HG1 THR 6 HG1 THR 6 244.037 7.859 4.144 64 HG21 THR 6 1HG2 THR 6 243.880 8.824 1.314 65 HG22 THR 6 2HG2 THR 6 245.540 9.070 0.771 66 HG23 THR 6 3HG2 THR 6 244.761 10.272 1.801 67 H TYR 7 H TYR 7 247.847 6.032 2.787 68 HA TYR 7 HA TYR 7 248.471 6.379 -0.069 69 HB2 TYR 7 1HB TYR 7 250.315 6.647 2.314 70 HB3 TYR 7 2HB TYR 7 250.821 6.746 0.630 71 HD1 TYR 7 HD1 TYR 7 249.879 8.588 -0.802 72 HD2 TYR 7 HD2 TYR 7 249.454 8.537 3.429 73 HE1 TYR 7 HE1 TYR 7 249.379 10.988 -0.828 74 HE2 TYR 7 HE2 TYR 7 248.949 10.942 3.413 75 HH TYR 7 HH TYR 7 249.402 12.907 1.924 76 H CYS 8 H CYS 8 249.447 4.744 -1.128 77 HA CYS 8 HA CYS 8 249.062 2.124 -0.285 78 HB2 CYS 8 1HB CYS 8 249.297 2.545 -2.610 79 HB3 CYS 8 2HB CYS 8 250.866 3.298 -2.392 80 H THR 9 H THR 9 250.010 0.954 1.158 81 HA THR 9 HA THR 9 252.145 1.784 2.742 82 HB THR 9 HB THR 9 251.235 -1.071 2.372 83 HG1 THR 9 HG1 THR 9 249.366 0.002 2.779 84 HG21 THR 9 1HG2 THR 9 251.801 -1.274 4.749 85 HG22 THR 9 2HG2 THR 9 252.343 0.404 4.763 86 HG23 THR 9 3HG2 THR 9 253.204 -0.794 3.795 87 H TYR 10 H TYR 10 252.113 -0.022 -0.235 88 HA TYR 10 HA TYR 10 254.850 -0.924 0.087 89 HB2 TYR 10 1HB TYR 10 252.750 -1.335 -2.017 90 HB3 TYR 10 2HB TYR 10 254.430 -1.760 -2.327 91 HD1 TYR 10 HD1 TYR 10 255.005 -3.946 -1.964 92 HD2 TYR 10 HD2 TYR 10 251.898 -2.249 0.384 93 HE1 TYR 10 HE1 TYR 10 254.692 -6.102 -0.830 94 HE2 TYR 10 HE2 TYR 10 251.573 -4.395 1.525 95 HH TYR 10 HH TYR 10 253.779 -6.891 1.405 96 H CYS 11 H CYS 11 253.235 1.793 -1.142 97 HA CYS 11 HA CYS 11 255.368 2.537 -2.973 98 HB2 CYS 11 1HB CYS 11 252.719 3.708 -2.233 99 HB3 CYS 11 2HB CYS 11 253.937 4.753 -2.945 100 HA PRO 12 HA PRO 12 257.670 4.813 0.091 101 HB2 PRO 12 1HB PRO 12 258.451 6.612 -2.105 102 HB3 PRO 12 2HB PRO 12 259.465 5.591 -1.084 103 HG2 PRO 12 1HG PRO 12 259.010 5.023 -3.678 104 HG3 PRO 12 2HG PRO 12 259.236 3.758 -2.455 105 HD2 PRO 12 1HD PRO 12 256.719 4.744 -3.728 106 HD3 PRO 12 2HD PRO 12 257.182 3.094 -3.262 107 H SER 13 H SER 13 257.119 6.471 1.379 108 HA SER 13 HA SER 13 254.773 7.944 0.935 109 HB2 SER 13 1HB SER 13 256.995 8.529 2.904 110 HB3 SER 13 2HB SER 13 255.335 9.114 3.001 111 HG SER 13 HG SER 13 254.944 6.634 2.828 112 H LYS 14 H LYS 14 258.064 8.573 0.072 113 HA LYS 14 HA LYS 14 257.936 11.349 -0.374 114 HB2 LYS 14 1HB LYS 14 259.516 9.229 -1.841 115 HB3 LYS 14 2HB LYS 14 259.779 10.957 -2.000 116 HG2 LYS 14 1HG LYS 14 260.048 9.441 0.582 117 HG3 LYS 14 2HG LYS 14 261.388 9.811 -0.503 118 HD2 LYS 14 1HD LYS 14 260.828 12.225 -0.259 119 HD3 LYS 14 2HD LYS 14 259.624 11.777 0.951 120 HE2 LYS 14 1HE LYS 14 262.576 11.182 1.123 121 HE3 LYS 14 2HE LYS 14 261.757 12.500 1.955 122 HZ1 LYS 14 1HZ LYS 14 260.421 10.860 3.139 123 HZ2 LYS 14 2HZ LYS 14 262.069 10.618 3.416 124 HZ3 LYS 14 3HZ LYS 14 261.237 9.603 2.353 125 H ILE 15 H ILE 15 256.686 8.634 -2.146 126 HA ILE 15 HA ILE 15 256.270 10.079 -4.601 127 HB ILE 15 HB ILE 15 255.154 7.411 -3.717 128 HG12 ILE 15 1HG1 ILE 15 257.594 7.385 -3.787 129 HG13 ILE 15 2HG1 ILE 15 256.934 6.435 -5.113 130 HG21 ILE 15 1HG2 ILE 15 254.748 6.998 -6.087 131 HG22 ILE 15 2HG2 ILE 15 255.303 8.627 -6.470 132 HG23 ILE 15 3HG2 ILE 15 253.840 8.396 -5.514 133 HD11 ILE 15 1HD1 ILE 15 257.338 8.324 -6.630 134 HD12 ILE 15 2HD1 ILE 15 258.813 7.728 -5.869 135 HD13 ILE 15 3HD1 ILE 15 258.064 9.216 -5.293 136 H ARG 16 H ARG 16 254.511 9.399 -1.706 137 HA ARG 16 HA ARG 16 252.455 9.943 -0.913 138 HB2 ARG 16 1HB ARG 16 252.611 12.113 -3.011 139 HB3 ARG 16 2HB ARG 16 251.466 12.067 -1.679 140 HG2 ARG 16 1HG ARG 16 253.336 12.197 -0.091 141 HG3 ARG 16 2HG ARG 16 254.459 12.302 -1.450 142 HD2 ARG 16 1HD ARG 16 252.279 14.257 -0.736 143 HD3 ARG 16 2HD ARG 16 254.018 14.519 -0.616 144 HE ARG 16 HE ARG 16 253.662 13.939 -3.232 145 HH11 ARG 16 1HH1 ARG 16 252.197 16.262 -1.065 146 HH12 ARG 16 2HH1 ARG 16 251.842 17.399 -2.324 147 HH21 ARG 16 1HH2 ARG 16 253.192 15.434 -4.889 148 HH22 ARG 16 2HH2 ARG 16 252.397 16.926 -4.497 149 H ARG 17 H ARG 17 252.465 7.873 -2.708 150 HA ARG 17 HA ARG 17 250.454 8.280 -4.724 151 HB2 ARG 17 1HB ARG 17 252.313 6.721 -5.112 152 HB3 ARG 17 2HB ARG 17 251.785 5.744 -3.749 153 HG2 ARG 17 1HG ARG 17 251.089 4.692 -5.785 154 HG3 ARG 17 2HG ARG 17 249.665 5.295 -4.938 155 HD2 ARG 17 1HD ARG 17 249.570 5.729 -7.360 156 HD3 ARG 17 2HD ARG 17 249.558 7.214 -6.413 157 HE ARG 17 HE ARG 17 252.186 6.434 -7.258 158 HH11 ARG 17 1HH1 ARG 17 249.263 8.083 -8.226 159 HH12 ARG 17 2HH1 ARG 17 250.061 9.095 -9.391 160 HH21 ARG 17 1HH2 ARG 17 253.250 7.752 -8.800 161 HH22 ARG 17 2HH2 ARG 17 252.335 8.911 -9.712 162 H LYS 18 H LYS 18 248.421 8.512 -4.117 163 HA LYS 18 HA LYS 18 247.330 7.494 -1.712 164 HB2 LYS 18 1HB LYS 18 246.195 8.789 -4.156 165 HB3 LYS 18 2HB LYS 18 245.098 7.959 -3.066 166 HG2 LYS 18 1HG LYS 18 245.135 10.283 -2.502 167 HG3 LYS 18 2HG LYS 18 245.933 9.380 -1.217 168 HD2 LYS 18 1HD LYS 18 247.248 11.306 -1.609 169 HD3 LYS 18 2HD LYS 18 248.117 9.949 -2.324 170 HE2 LYS 18 1HE LYS 18 247.163 10.569 -4.526 171 HE3 LYS 18 2HE LYS 18 246.439 11.986 -3.774 172 HZ1 LYS 18 1HZ LYS 18 249.349 11.399 -3.874 173 HZ2 LYS 18 2HZ LYS 18 248.637 12.774 -3.193 174 HZ3 LYS 18 3HZ LYS 18 248.540 12.513 -4.860 175 H ALA 19 H ALA 19 246.215 5.676 -1.287 176 HA ALA 19 HA ALA 19 246.546 3.521 -3.210 177 HB1 ALA 19 1HB ALA 19 245.971 2.053 -1.366 178 HB2 ALA 19 2HB ALA 19 245.565 3.449 -0.364 179 HB3 ALA 19 3HB ALA 19 247.229 3.191 -0.886 180 H ASN 20 H ASN 20 244.959 2.717 -4.420 181 HA ASN 20 HA ASN 20 242.209 3.575 -3.857 182 HB2 ASN 20 1HB ASN 20 243.480 2.550 -6.406 183 HB3 ASN 20 2HB ASN 20 241.752 2.817 -6.222 184 HD21 ASN 20 1HD2 ASN 20 244.870 4.327 -6.505 185 HD22 ASN 20 2HD2 ASN 20 244.291 5.927 -6.792 186 H ALA 21 H ALA 21 244.148 1.080 -3.168 187 HA ALA 21 HA ALA 21 241.920 -0.828 -3.134 188 HB1 ALA 21 1HB ALA 21 244.763 -1.491 -3.904 189 HB2 ALA 21 2HB ALA 21 243.379 -1.444 -4.995 190 HB3 ALA 21 3HB ALA 21 243.448 -2.650 -3.712 191 H SER 22 H SER 22 242.371 -2.647 -1.547 192 HA SER 22 HA SER 22 244.150 -1.874 0.628 193 HB2 SER 22 1HB SER 22 242.253 -2.060 2.277 194 HB3 SER 22 2HB SER 22 242.172 -0.651 1.219 195 HG SER 22 HG SER 22 240.888 -3.003 0.403 196 H CYS 23 H CYS 23 244.967 -3.586 1.692 197 HA CYS 23 HA CYS 23 244.108 -6.249 0.919 198 HB2 CYS 23 1HB CYS 23 246.514 -5.706 1.128 199 HB3 CYS 23 2HB CYS 23 246.273 -5.351 2.833 200 H LYS 24 H LYS 24 242.241 -6.827 1.854 201 HA LYS 24 HA LYS 24 241.127 -5.632 4.092 202 HB2 LYS 24 1HB LYS 24 240.095 -7.124 2.201 203 HB3 LYS 24 2HB LYS 24 240.366 -8.428 3.350 204 HG2 LYS 24 1HG LYS 24 238.127 -7.667 3.616 205 HG3 LYS 24 2HG LYS 24 239.048 -7.125 5.022 206 HD2 LYS 24 1HD LYS 24 239.300 -4.913 4.000 207 HD3 LYS 24 2HD LYS 24 238.384 -5.458 2.596 208 HE2 LYS 24 1HE LYS 24 236.439 -5.849 4.041 209 HE3 LYS 24 2HE LYS 24 237.363 -5.270 5.427 210 HZ1 LYS 24 1HZ LYS 24 235.944 -3.540 4.522 211 HZ2 LYS 24 2HZ LYS 24 236.696 -3.675 3.012 212 HZ3 LYS 24 3HZ LYS 24 237.574 -3.123 4.347 213 H LYS 25 H LYS 25 243.228 -8.412 3.922 214 HA LYS 25 HA LYS 25 242.582 -9.578 6.390 215 HB2 LYS 25 1HB LYS 25 243.854 -10.740 4.641 216 HB3 LYS 25 2HB LYS 25 245.208 -9.649 4.897 217 HG2 LYS 25 1HG LYS 25 245.644 -11.747 5.985 218 HG3 LYS 25 2HG LYS 25 245.420 -10.492 7.203 219 HD2 LYS 25 1HD LYS 25 243.111 -11.244 7.540 220 HD3 LYS 25 2HD LYS 25 243.350 -12.506 6.328 221 HE2 LYS 25 1HE LYS 25 245.130 -13.475 7.717 222 HE3 LYS 25 2HE LYS 25 244.853 -12.227 8.930 223 HZ1 LYS 25 1HZ LYS 25 243.738 -14.287 9.505 224 HZ2 LYS 25 2HZ LYS 25 242.871 -14.253 8.056 225 HZ3 LYS 25 3HZ LYS 25 242.607 -13.061 9.221 226 H CYS 26 H CYS 26 245.114 -7.193 5.572 227 HA CYS 26 HA CYS 26 245.677 -6.951 8.447 228 HB2 CYS 26 1HB CYS 26 247.782 -5.836 7.741 229 HB3 CYS 26 2HB CYS 26 247.638 -7.487 7.148 230 H LYS 27 H LYS 27 244.025 -5.446 5.981 231 HA LYS 27 HA LYS 27 242.833 -3.528 5.867 232 HB2 LYS 27 1HB LYS 27 243.858 -2.988 8.660 233 HB3 LYS 27 2HB LYS 27 242.594 -2.077 7.847 234 HG2 LYS 27 1HG LYS 27 242.449 -5.002 8.561 235 HG3 LYS 27 2HG LYS 27 241.697 -3.688 9.465 236 HD2 LYS 27 1HD LYS 27 240.397 -3.111 7.424 237 HD3 LYS 27 2HD LYS 27 241.079 -4.533 6.636 238 HE2 LYS 27 1HE LYS 27 239.386 -4.530 9.134 239 HE3 LYS 27 2HE LYS 27 238.846 -4.984 7.520 240 HZ1 LYS 27 1HZ LYS 27 240.527 -6.781 7.568 241 HZ2 LYS 27 2HZ LYS 27 239.333 -6.952 8.754 242 HZ3 LYS 27 3HZ LYS 27 240.868 -6.388 9.178 243 H LYS 28 H LYS 28 245.891 -3.795 5.462 244 HA LYS 28 HA LYS 28 246.684 -1.002 5.509 245 HB2 LYS 28 1HB LYS 28 248.123 -3.456 4.475 246 HB3 LYS 28 2HB LYS 28 248.805 -1.837 4.515 247 HG2 LYS 28 1HG LYS 28 247.888 -3.342 6.954 248 HG3 LYS 28 2HG LYS 28 249.552 -3.304 6.368 249 HD2 LYS 28 1HD LYS 28 249.625 -0.895 6.659 250 HD3 LYS 28 2HD LYS 28 247.936 -0.884 7.165 251 HE2 LYS 28 1HE LYS 28 248.465 -2.181 9.124 252 HE3 LYS 28 2HE LYS 28 250.137 -2.359 8.597 253 HZ1 LYS 28 1HZ LYS 28 249.796 -0.628 10.308 254 HZ2 LYS 28 2HZ LYS 28 248.862 0.250 9.203 255 HZ3 LYS 28 3HZ LYS 28 250.497 -0.040 8.888 256 H VAL 29 H VAL 29 246.780 0.315 3.777 257 HA VAL 29 HA VAL 29 245.251 -0.562 1.477 258 HB VAL 29 HB VAL 29 245.238 1.805 0.815 259 HG11 VAL 29 1HG1 VAL 29 243.856 2.622 2.672 260 HG12 VAL 29 2HG1 VAL 29 244.446 1.300 3.680 261 HG13 VAL 29 3HG1 VAL 29 243.475 0.953 2.250 262 HG21 VAL 29 1HG2 VAL 29 246.829 2.223 3.339 263 HG22 VAL 29 2HG2 VAL 29 246.127 3.504 2.350 264 HG23 VAL 29 3HG2 VAL 29 247.402 2.477 1.691 265 H ILE 30 H ILE 30 245.927 -0.321 -0.663 266 HA ILE 30 HA ILE 30 248.790 -0.018 -1.158 267 HB ILE 30 HB ILE 30 248.677 -2.200 -2.518 268 HG12 ILE 30 1HG1 ILE 30 246.367 -2.630 -0.613 269 HG13 ILE 30 2HG1 ILE 30 246.260 -2.532 -2.365 270 HG21 ILE 30 1HG2 ILE 30 248.673 -2.324 0.494 271 HG22 ILE 30 2HG2 ILE 30 250.054 -1.926 -0.530 272 HG23 ILE 30 3HG2 ILE 30 249.352 -3.542 -0.587 273 HD11 ILE 30 1HD1 ILE 30 246.130 -4.828 -1.459 274 HD12 ILE 30 2HD1 ILE 30 247.789 -4.651 -0.882 275 HD13 ILE 30 3HD1 ILE 30 247.442 -4.587 -2.609 276 H CYS 31 H CYS 31 249.276 0.024 -3.472 277 HA CYS 31 HA CYS 31 247.016 1.026 -5.035 278 HB2 CYS 31 1HB CYS 31 248.598 2.063 -6.481 279 HB3 CYS 31 2HB CYS 31 249.213 2.332 -4.855 280 H ARG 32 H ARG 32 246.465 0.094 -7.010 281 HA ARG 32 HA ARG 32 246.780 -2.716 -7.180 282 HB2 ARG 32 1HB ARG 32 245.694 -0.728 -9.177 283 HB3 ARG 32 2HB ARG 32 245.560 -2.474 -9.335 284 HG2 ARG 32 1HG ARG 32 244.140 -2.634 -7.458 285 HG3 ARG 32 2HG ARG 32 244.487 -0.974 -6.966 286 HD2 ARG 32 1HD ARG 32 243.017 -1.823 -9.457 287 HD3 ARG 32 2HD ARG 32 242.292 -1.134 -8.005 288 HE ARG 32 HE ARG 32 244.280 0.378 -9.562 289 HH11 ARG 32 1HH1 ARG 32 241.059 0.082 -8.221 290 HH12 ARG 32 2HH1 ARG 32 240.640 1.734 -8.541 291 HH21 ARG 32 1HH2 ARG 32 243.747 2.542 -9.972 292 HH22 ARG 32 2HH2 ARG 32 242.174 3.135 -9.541 293 H GLU 33 H GLU 33 248.659 -0.124 -8.279 294 HA GLU 33 HA GLU 33 250.004 -1.422 -10.420 295 HB2 GLU 33 1HB GLU 33 251.005 0.818 -8.649 296 HB3 GLU 33 2HB GLU 33 251.651 0.368 -10.218 297 HG2 GLU 33 1HG GLU 33 250.382 2.206 -10.738 298 HG3 GLU 33 2HG GLU 33 249.258 0.893 -11.069 299 H HIS 34 H HIS 34 250.126 -1.610 -7.013 300 HA HIS 34 HA HIS 34 252.652 -3.106 -7.094 301 HB2 HIS 34 1HB HIS 34 251.282 -1.507 -4.995 302 HB3 HIS 34 2HB HIS 34 252.136 -2.948 -4.453 303 HD2 HIS 34 HD2 HIS 34 254.671 -2.596 -6.569 304 HE1 HIS 34 HE1 HIS 34 255.282 0.926 -4.317 305 HE2 HIS 34 HE2 HIS 34 256.390 -0.832 -5.771 306 H ASN 35 H ASN 35 249.452 -3.248 -5.538 307 HA ASN 35 HA ASN 35 249.403 -6.134 -5.914 308 HB2 ASN 35 1HB ASN 35 249.401 -4.781 -3.219 309 HB3 ASN 35 2HB ASN 35 248.720 -6.386 -3.453 310 HD21 ASN 35 1HD2 ASN 35 250.101 -8.117 -3.887 311 HD22 ASN 35 2HD2 ASN 35 251.807 -8.012 -3.632 312 H ILE 36 H ILE 36 247.356 -6.949 -6.093 313 HA ILE 36 HA ILE 36 245.272 -4.934 -6.343 314 HB ILE 36 HB ILE 36 245.511 -6.364 -8.242 315 HG12 ILE 36 1HG1 ILE 36 243.027 -7.137 -6.696 316 HG13 ILE 36 2HG1 ILE 36 243.222 -5.689 -7.677 317 HG21 ILE 36 1HG2 ILE 36 245.142 -8.803 -8.127 318 HG22 ILE 36 2HG2 ILE 36 245.123 -8.688 -6.368 319 HG23 ILE 36 3HG2 ILE 36 246.584 -8.275 -7.263 320 HD11 ILE 36 1HD1 ILE 36 243.282 -8.522 -8.689 321 HD12 ILE 36 2HD1 ILE 36 243.460 -7.068 -9.669 322 HD13 ILE 36 3HD1 ILE 36 241.939 -7.391 -8.840 323 H ASP 37 H ASP 37 245.087 -4.606 -4.074 324 HA ASP 37 HA ASP 37 243.920 -4.723 -2.128 325 HB2 ASP 37 1HB ASP 37 242.218 -6.510 -3.843 326 HB3 ASP 37 2HB ASP 37 241.813 -6.180 -2.164 327 H MET 38 H MET 38 246.007 -6.843 -2.881 328 HA MET 38 HA MET 38 245.685 -8.319 -0.398 329 HB2 MET 38 1HB MET 38 246.341 -10.459 -1.520 330 HB3 MET 38 2HB MET 38 244.745 -9.879 -1.973 331 HG2 MET 38 1HG MET 38 245.694 -8.966 -4.053 332 HG3 MET 38 2HG MET 38 247.264 -9.624 -3.601 333 HE1 MET 38 1HE MET 38 247.815 -12.182 -3.448 334 HE2 MET 38 2HE MET 38 246.647 -13.470 -3.736 335 HE3 MET 38 3HE MET 38 246.490 -12.440 -2.314 336 H CYS 39 H CYS 39 247.499 -7.959 0.702 337 HA CYS 39 HA CYS 39 249.881 -7.147 -0.759 338 HB2 CYS 39 1HB CYS 39 250.612 -6.120 1.170 339 HB3 CYS 39 2HB CYS 39 248.875 -6.057 1.433 340 H GLN 40 H GLN 40 252.019 -7.989 0.232 341 HA GLN 40 HA GLN 40 251.939 -10.821 -0.333 342 HB2 GLN 40 1HB GLN 40 254.216 -8.896 0.110 343 HB3 GLN 40 2HB GLN 40 254.444 -10.605 -0.227 344 HG2 GLN 40 1HG GLN 40 253.309 -10.340 -2.366 345 HG3 GLN 40 2HG GLN 40 253.074 -8.625 -2.031 346 HE21 GLN 40 1HE2 GLN 40 254.814 -7.228 -2.185 347 HE22 GLN 40 2HE2 GLN 40 256.317 -7.685 -2.899 348 H SER 41 H SER 41 251.564 -9.131 2.453 349 HA SER 41 HA SER 41 253.046 -11.077 4.072 350 HB2 SER 41 1HB SER 41 253.506 -8.704 4.530 351 HB3 SER 41 2HB SER 41 251.800 -8.434 4.871 352 HG SER 41 HG SER 41 252.027 -9.973 6.599 353 H CYS 42 H CYS 42 250.217 -11.114 2.683 354 HA CYS 42 HA CYS 42 248.913 -12.423 4.965 355 HB2 CYS 42 1HB CYS 42 247.544 -10.579 3.002 356 HB3 CYS 42 2HB CYS 42 246.722 -11.561 4.207 357 H PHE 43 H PHE 43 247.016 -13.740 4.218 358 HA PHE 43 HA PHE 43 246.080 -15.402 3.022 359 HB2 PHE 43 1HB PHE 43 247.135 -13.926 0.604 360 HB3 PHE 43 2HB PHE 43 245.815 -15.090 0.632 361 HD1 PHE 43 HD1 PHE 43 246.527 -11.722 0.464 362 HD2 PHE 43 HD2 PHE 43 243.940 -14.432 2.482 363 HE1 PHE 43 HE1 PHE 43 244.940 -9.891 0.885 364 HE2 PHE 43 HE2 PHE 43 242.349 -12.604 2.904 365 HZ PHE 43 HZ PHE 43 242.846 -10.331 2.104 Start of MODEL 10 1 H1 VAL 1 1H VAL 1 249.214 14.650 12.250 2 H2 VAL 1 2H VAL 1 249.455 15.990 11.249 3 H3 VAL 1 3H VAL 1 250.382 14.593 11.031 4 HA VAL 1 HA VAL 1 247.453 14.791 10.641 5 HB VAL 1 HB VAL 1 247.944 14.450 8.247 6 HG11 VAL 1 1HG1 VAL 1 249.334 16.852 9.429 7 HG12 VAL 1 2HG1 VAL 1 247.616 16.720 9.059 8 HG13 VAL 1 3HG1 VAL 1 248.804 16.694 7.756 9 HG21 VAL 1 1HG2 VAL 1 250.080 13.312 8.429 10 HG22 VAL 1 2HG2 VAL 1 250.829 14.773 9.073 11 HG23 VAL 1 3HG2 VAL 1 250.241 14.744 7.411 12 H MET 2 H MET 2 246.852 12.834 9.126 13 HA MET 2 HA MET 2 248.377 10.441 9.814 14 HB2 MET 2 1HB MET 2 246.409 10.943 11.472 15 HB3 MET 2 2HB MET 2 245.393 10.387 10.152 16 HG2 MET 2 1HG MET 2 247.557 8.807 11.529 17 HG3 MET 2 2HG MET 2 245.820 8.599 11.724 18 HE1 MET 2 1HE MET 2 245.884 6.038 11.221 19 HE2 MET 2 2HE MET 2 247.641 6.146 11.140 20 HE3 MET 2 3HE MET 2 246.749 5.325 9.860 21 H LYS 3 H LYS 3 248.937 10.478 7.622 22 HA LYS 3 HA LYS 3 246.751 9.843 5.750 23 HB2 LYS 3 1HB LYS 3 249.534 10.861 5.130 24 HB3 LYS 3 2HB LYS 3 248.265 10.552 3.955 25 HG2 LYS 3 1HG LYS 3 248.156 12.628 6.135 26 HG3 LYS 3 2HG LYS 3 248.523 12.936 4.436 27 HD2 LYS 3 1HD LYS 3 246.297 12.018 3.842 28 HD3 LYS 3 2HD LYS 3 245.941 11.858 5.562 29 HE2 LYS 3 1HE LYS 3 246.271 14.290 5.825 30 HE3 LYS 3 2HE LYS 3 246.541 14.420 4.088 31 HZ1 LYS 3 1HZ LYS 3 244.045 13.466 5.379 32 HZ2 LYS 3 2HZ LYS 3 244.303 13.593 3.715 33 HZ3 LYS 3 3HZ LYS 3 244.271 14.984 4.674 34 H LYS 4 H LYS 4 248.308 8.122 7.663 35 HA LYS 4 HA LYS 4 250.159 6.566 6.176 36 HB2 LYS 4 1HB LYS 4 248.720 5.915 8.748 37 HB3 LYS 4 2HB LYS 4 250.109 5.047 8.108 38 HG2 LYS 4 1HG LYS 4 251.485 7.033 8.333 39 HG3 LYS 4 2HG LYS 4 250.094 7.948 8.918 40 HD2 LYS 4 1HD LYS 4 249.921 6.423 10.837 41 HD3 LYS 4 2HD LYS 4 251.344 5.554 10.259 42 HE2 LYS 4 1HE LYS 4 252.684 7.582 10.491 43 HE3 LYS 4 2HE LYS 4 251.263 8.467 11.043 44 HZ1 LYS 4 1HZ LYS 4 251.137 6.972 12.946 45 HZ2 LYS 4 2HZ LYS 4 252.618 7.785 12.900 46 HZ3 LYS 4 3HZ LYS 4 252.528 6.164 12.424 47 H ARG 5 H ARG 5 246.733 6.330 6.799 48 HA ARG 5 HA ARG 5 246.642 3.875 5.194 49 HB2 ARG 5 1HB ARG 5 244.572 5.118 7.008 50 HB3 ARG 5 2HB ARG 5 244.259 3.726 5.980 51 HG2 ARG 5 1HG ARG 5 246.057 2.503 7.150 52 HG3 ARG 5 2HG ARG 5 246.255 3.886 8.228 53 HD2 ARG 5 1HD ARG 5 243.721 2.287 7.884 54 HD3 ARG 5 2HD ARG 5 244.869 2.100 9.209 55 HE ARG 5 HE ARG 5 243.561 4.694 8.754 56 HH11 ARG 5 1HH1 ARG 5 244.117 1.892 10.777 57 HH12 ARG 5 2HH1 ARG 5 243.348 2.588 12.166 58 HH21 ARG 5 1HH2 ARG 5 242.561 5.615 10.581 59 HH22 ARG 5 2HH2 ARG 5 242.477 4.710 12.059 60 H THR 6 H THR 6 246.940 6.809 4.433 61 HA THR 6 HA THR 6 244.700 7.005 2.546 62 HB THR 6 HB THR 6 246.803 9.055 3.278 63 HG1 THR 6 HG1 THR 6 244.651 8.311 4.597 64 HG21 THR 6 1HG2 THR 6 245.407 10.637 2.041 65 HG22 THR 6 2HG2 THR 6 244.324 9.324 1.580 66 HG23 THR 6 3HG2 THR 6 245.987 9.342 0.994 67 H TYR 7 H TYR 7 248.219 7.025 2.758 68 HA TYR 7 HA TYR 7 248.386 6.765 -0.154 69 HB2 TYR 7 1HB TYR 7 250.465 7.478 1.920 70 HB3 TYR 7 2HB TYR 7 250.841 7.197 0.223 71 HD1 TYR 7 HD1 TYR 7 249.538 8.638 -1.493 72 HD2 TYR 7 HD2 TYR 7 249.896 9.619 2.629 73 HE1 TYR 7 HE1 TYR 7 249.036 10.981 -2.015 74 HE2 TYR 7 HE2 TYR 7 249.390 11.969 2.119 75 HH TYR 7 HH TYR 7 248.290 12.980 -1.012 76 H CYS 8 H CYS 8 249.364 5.089 -1.119 77 HA CYS 8 HA CYS 8 249.056 2.550 -0.159 78 HB2 CYS 8 1HB CYS 8 249.357 2.956 -2.483 79 HB3 CYS 8 2HB CYS 8 250.955 3.637 -2.225 80 H THR 9 H THR 9 249.996 1.350 1.304 81 HA THR 9 HA THR 9 252.226 2.259 2.813 82 HB THR 9 HB THR 9 250.929 -0.475 2.823 83 HG1 THR 9 HG1 THR 9 249.968 1.957 3.534 84 HG21 THR 9 1HG2 THR 9 251.690 -0.572 5.147 85 HG22 THR 9 2HG2 THR 9 252.468 1.000 4.963 86 HG23 THR 9 3HG2 THR 9 253.051 -0.385 4.042 87 H TYR 10 H TYR 10 251.917 0.347 -0.016 88 HA TYR 10 HA TYR 10 254.489 -0.951 0.281 89 HB2 TYR 10 1HB TYR 10 252.316 -1.027 -1.774 90 HB3 TYR 10 2HB TYR 10 253.924 -1.616 -2.184 91 HD1 TYR 10 HD1 TYR 10 251.584 -1.930 0.724 92 HD2 TYR 10 HD2 TYR 10 254.156 -3.882 -2.042 93 HE1 TYR 10 HE1 TYR 10 251.070 -4.084 1.781 94 HE2 TYR 10 HE2 TYR 10 253.651 -6.044 -0.992 95 HH TYR 10 HH TYR 10 252.887 -6.862 1.231 96 H CYS 11 H CYS 11 253.180 1.893 -1.170 97 HA CYS 11 HA CYS 11 255.409 2.335 -2.938 98 HB2 CYS 11 1HB CYS 11 252.966 3.882 -2.175 99 HB3 CYS 11 2HB CYS 11 254.305 4.731 -2.934 100 HA PRO 12 HA PRO 12 258.162 4.272 0.009 101 HB2 PRO 12 1HB PRO 12 259.017 5.891 -2.321 102 HB3 PRO 12 2HB PRO 12 259.978 4.849 -1.268 103 HG2 PRO 12 1HG PRO 12 259.384 4.122 -3.772 104 HG3 PRO 12 2HG PRO 12 259.450 2.938 -2.455 105 HD2 PRO 12 1HD PRO 12 257.068 4.176 -3.772 106 HD3 PRO 12 2HD PRO 12 257.310 2.511 -3.204 107 H SER 13 H SER 13 258.316 6.244 1.085 108 HA SER 13 HA SER 13 255.959 7.768 1.114 109 HB2 SER 13 1HB SER 13 258.612 8.511 2.355 110 HB3 SER 13 2HB SER 13 257.013 9.056 2.857 111 HG SER 13 HG SER 13 256.981 6.407 2.834 112 H LYS 14 H LYS 14 258.916 8.203 -0.653 113 HA LYS 14 HA LYS 14 258.465 10.969 -1.269 114 HB2 LYS 14 1HB LYS 14 260.233 8.901 -2.586 115 HB3 LYS 14 2HB LYS 14 260.213 10.607 -3.014 116 HG2 LYS 14 1HG LYS 14 260.922 9.513 -0.303 117 HG3 LYS 14 2HG LYS 14 262.079 10.015 -1.535 118 HD2 LYS 14 1HD LYS 14 261.128 12.286 -1.465 119 HD3 LYS 14 2HD LYS 14 260.024 11.768 -0.190 120 HE2 LYS 14 1HE LYS 14 261.922 11.250 1.252 121 HE3 LYS 14 2HE LYS 14 263.035 11.736 -0.023 122 HZ1 LYS 14 1HZ LYS 14 261.047 13.520 1.272 123 HZ2 LYS 14 2HZ LYS 14 262.187 13.973 0.107 124 HZ3 LYS 14 3HZ LYS 14 262.697 13.473 1.639 125 H ILE 15 H ILE 15 257.242 7.996 -2.400 126 HA ILE 15 HA ILE 15 256.217 9.257 -4.846 127 HB ILE 15 HB ILE 15 256.384 6.310 -4.186 128 HG12 ILE 15 1HG1 ILE 15 258.086 8.033 -6.004 129 HG13 ILE 15 2HG1 ILE 15 258.606 7.291 -4.495 130 HG21 ILE 15 1HG2 ILE 15 255.666 7.711 -6.761 131 HG22 ILE 15 2HG2 ILE 15 254.549 6.850 -5.704 132 HG23 ILE 15 3HG2 ILE 15 255.824 5.968 -6.544 133 HD11 ILE 15 1HD1 ILE 15 257.789 5.840 -6.998 134 HD12 ILE 15 2HD1 ILE 15 258.282 5.080 -5.487 135 HD13 ILE 15 3HD1 ILE 15 259.434 6.054 -6.399 136 H ARG 16 H ARG 16 254.664 10.372 -3.545 137 HA ARG 16 HA ARG 16 252.817 8.972 -1.885 138 HB2 ARG 16 1HB ARG 16 252.890 11.789 -2.940 139 HB3 ARG 16 2HB ARG 16 251.555 11.188 -1.967 140 HG2 ARG 16 1HG ARG 16 253.157 10.649 -0.166 141 HG3 ARG 16 2HG ARG 16 254.443 11.372 -1.137 142 HD2 ARG 16 1HD ARG 16 253.311 13.512 -1.096 143 HD3 ARG 16 2HD ARG 16 251.951 12.805 -0.224 144 HE ARG 16 HE ARG 16 254.414 12.438 1.166 145 HH11 ARG 16 1HH1 ARG 16 251.929 14.805 0.480 146 HH12 ARG 16 2HH1 ARG 16 252.167 15.672 1.960 147 HH21 ARG 16 1HH2 ARG 16 254.748 13.594 3.112 148 HH22 ARG 16 2HH2 ARG 16 253.775 14.991 3.456 149 H ARG 17 H ARG 17 251.736 7.433 -2.986 150 HA ARG 17 HA ARG 17 249.880 8.388 -5.060 151 HB2 ARG 17 1HB ARG 17 251.062 5.644 -4.615 152 HB3 ARG 17 2HB ARG 17 249.712 5.945 -5.699 153 HG2 ARG 17 1HG ARG 17 251.102 7.444 -7.029 154 HG3 ARG 17 2HG ARG 17 252.458 7.153 -5.938 155 HD2 ARG 17 1HD ARG 17 252.443 4.789 -6.527 156 HD3 ARG 17 2HD ARG 17 251.049 5.046 -7.575 157 HE ARG 17 HE ARG 17 253.230 6.731 -8.297 158 HH11 ARG 17 1HH1 ARG 17 252.048 3.455 -8.525 159 HH12 ARG 17 2HH1 ARG 17 252.892 3.103 -10.001 160 HH21 ARG 17 1HH2 ARG 17 254.354 6.293 -10.234 161 HH22 ARG 17 2HH2 ARG 17 254.202 4.734 -10.978 162 H LYS 18 H LYS 18 247.801 8.391 -4.557 163 HA LYS 18 HA LYS 18 246.862 7.660 -2.001 164 HB2 LYS 18 1HB LYS 18 245.363 8.240 -4.563 165 HB3 LYS 18 2HB LYS 18 244.583 7.998 -3.008 166 HG2 LYS 18 1HG LYS 18 246.582 10.171 -3.597 167 HG3 LYS 18 2HG LYS 18 244.829 10.374 -3.624 168 HD2 LYS 18 1HD LYS 18 244.786 9.621 -1.243 169 HD3 LYS 18 2HD LYS 18 246.550 9.645 -1.260 170 HE2 LYS 18 1HE LYS 18 245.768 11.698 -0.299 171 HE3 LYS 18 2HE LYS 18 246.465 12.043 -1.881 172 HZ1 LYS 18 1HZ LYS 18 244.412 13.242 -1.580 173 HZ2 LYS 18 2HZ LYS 18 243.570 11.812 -1.260 174 HZ3 LYS 18 3HZ LYS 18 244.217 12.088 -2.800 175 H ALA 19 H ALA 19 246.034 5.826 -1.239 176 HA ALA 19 HA ALA 19 246.297 3.453 -2.857 177 HB1 ALA 19 1HB ALA 19 245.376 3.752 -0.005 178 HB2 ALA 19 2HB ALA 19 247.042 3.496 -0.522 179 HB3 ALA 19 3HB ALA 19 245.828 2.249 -0.808 180 H ASN 20 H ASN 20 244.706 3.075 -4.279 181 HA ASN 20 HA ASN 20 241.931 3.535 -3.487 182 HB2 ASN 20 1HB ASN 20 243.218 2.948 -6.150 183 HB3 ASN 20 2HB ASN 20 241.475 2.864 -5.919 184 HD21 ASN 20 1HD2 ASN 20 244.255 4.963 -6.008 185 HD22 ASN 20 2HD2 ASN 20 243.371 6.445 -6.117 186 H ALA 21 H ALA 21 243.714 1.374 -2.499 187 HA ALA 21 HA ALA 21 241.671 -0.653 -2.486 188 HB1 ALA 21 1HB ALA 21 243.256 -2.483 -3.080 189 HB2 ALA 21 2HB ALA 21 244.419 -1.253 -3.579 190 HB3 ALA 21 3HB ALA 21 242.881 -1.406 -4.426 191 H SER 22 H SER 22 242.137 -2.272 -0.781 192 HA SER 22 HA SER 22 244.285 -1.682 1.059 193 HB2 SER 22 1HB SER 22 241.427 -1.318 1.986 194 HB3 SER 22 2HB SER 22 242.890 -1.082 2.941 195 HG SER 22 HG SER 22 243.172 0.449 0.841 196 H CYS 23 H CYS 23 244.811 -3.468 2.239 197 HA CYS 23 HA CYS 23 243.355 -5.892 1.720 198 HB2 CYS 23 1HB CYS 23 245.926 -5.580 2.105 199 HB3 CYS 23 2HB CYS 23 245.497 -5.685 3.810 200 H LYS 24 H LYS 24 241.720 -6.662 2.881 201 HA LYS 24 HA LYS 24 240.584 -4.920 4.837 202 HB2 LYS 24 1HB LYS 24 239.669 -7.600 3.792 203 HB3 LYS 24 2HB LYS 24 238.707 -6.539 4.814 204 HG2 LYS 24 1HG LYS 24 238.593 -4.873 3.127 205 HG3 LYS 24 2HG LYS 24 239.798 -5.700 2.140 206 HD2 LYS 24 1HD LYS 24 238.238 -7.588 1.869 207 HD3 LYS 24 2HD LYS 24 237.029 -6.698 2.796 208 HE2 LYS 24 1HE LYS 24 236.653 -6.494 0.383 209 HE3 LYS 24 2HE LYS 24 237.013 -4.934 1.122 210 HZ1 LYS 24 1HZ LYS 24 238.953 -6.623 -0.370 211 HZ2 LYS 24 2HZ LYS 24 239.283 -5.116 0.323 212 HZ3 LYS 24 3HZ LYS 24 238.195 -5.233 -0.965 213 H LYS 25 H LYS 25 242.330 -7.933 4.992 214 HA LYS 25 HA LYS 25 241.572 -8.370 7.756 215 HB2 LYS 25 1HB LYS 25 241.813 -10.298 6.296 216 HB3 LYS 25 2HB LYS 25 243.475 -9.860 5.950 217 HG2 LYS 25 1HG LYS 25 243.436 -11.679 7.511 218 HG3 LYS 25 2HG LYS 25 244.041 -10.232 8.320 219 HD2 LYS 25 1HD LYS 25 241.847 -9.868 9.326 220 HD3 LYS 25 2HD LYS 25 241.218 -11.289 8.490 221 HE2 LYS 25 1HE LYS 25 241.761 -11.819 10.804 222 HE3 LYS 25 2HE LYS 25 242.812 -12.701 9.697 223 HZ1 LYS 25 1HZ LYS 25 244.075 -11.802 11.524 224 HZ2 LYS 25 2HZ LYS 25 243.527 -10.239 11.194 225 HZ3 LYS 25 3HZ LYS 25 244.534 -11.032 10.092 226 H CYS 26 H CYS 26 244.358 -7.198 5.952 227 HA CYS 26 HA CYS 26 245.950 -7.124 8.397 228 HB2 CYS 26 1HB CYS 26 246.856 -6.316 5.640 229 HB3 CYS 26 2HB CYS 26 247.851 -6.773 7.018 230 H LYS 27 H LYS 27 244.041 -5.028 6.504 231 HA LYS 27 HA LYS 27 243.486 -2.847 6.709 232 HB2 LYS 27 1HB LYS 27 245.065 -3.041 9.274 233 HB3 LYS 27 2HB LYS 27 244.127 -1.633 8.802 234 HG2 LYS 27 1HG LYS 27 243.015 -4.398 9.247 235 HG3 LYS 27 2HG LYS 27 242.931 -3.062 10.395 236 HD2 LYS 27 1HD LYS 27 241.707 -3.086 7.635 237 HD3 LYS 27 2HD LYS 27 240.837 -3.340 9.144 238 HE2 LYS 27 1HE LYS 27 242.333 -0.835 8.380 239 HE3 LYS 27 2HE LYS 27 240.585 -1.047 8.309 240 HZ1 LYS 27 1HZ LYS 27 241.214 0.106 10.310 241 HZ2 LYS 27 2HZ LYS 27 242.259 -1.143 10.760 242 HZ3 LYS 27 3HZ LYS 27 240.590 -1.414 10.711 243 H LYS 28 H LYS 28 246.059 -3.723 5.437 244 HA LYS 28 HA LYS 28 247.524 -1.191 5.541 245 HB2 LYS 28 1HB LYS 28 248.198 -3.851 4.281 246 HB3 LYS 28 2HB LYS 28 249.149 -2.397 4.017 247 HG2 LYS 28 1HG LYS 28 249.599 -2.263 6.419 248 HG3 LYS 28 2HG LYS 28 248.665 -3.742 6.667 249 HD2 LYS 28 1HD LYS 28 250.217 -4.991 5.292 250 HD3 LYS 28 2HD LYS 28 251.115 -3.519 4.920 251 HE2 LYS 28 1HE LYS 28 251.728 -3.277 7.260 252 HE3 LYS 28 2HE LYS 28 250.778 -4.701 7.672 253 HZ1 LYS 28 1HZ LYS 28 253.158 -4.661 5.901 254 HZ2 LYS 28 2HZ LYS 28 252.248 -6.033 6.293 255 HZ3 LYS 28 3HZ LYS 28 253.123 -5.228 7.494 256 H VAL 29 H VAL 29 247.445 0.248 3.920 257 HA VAL 29 HA VAL 29 245.492 -0.280 1.826 258 HB VAL 29 HB VAL 29 245.579 2.135 1.380 259 HG11 VAL 29 1HG1 VAL 29 245.181 1.437 4.285 260 HG12 VAL 29 2HG1 VAL 29 243.987 1.269 2.997 261 HG13 VAL 29 3HG1 VAL 29 244.549 2.871 3.476 262 HG21 VAL 29 1HG2 VAL 29 246.818 3.632 2.863 263 HG22 VAL 29 2HG2 VAL 29 247.907 2.560 1.985 264 HG23 VAL 29 3HG2 VAL 29 247.532 2.239 3.677 265 H ILE 30 H ILE 30 245.925 -0.123 -0.355 266 HA ILE 30 HA ILE 30 248.749 0.039 -1.129 267 HB ILE 30 HB ILE 30 248.410 -2.017 -2.557 268 HG12 ILE 30 1HG1 ILE 30 245.933 -2.204 -0.837 269 HG13 ILE 30 2HG1 ILE 30 246.029 -2.219 -2.591 270 HG21 ILE 30 1HG2 ILE 30 248.851 -3.578 -0.719 271 HG22 ILE 30 2HG2 ILE 30 248.286 -2.369 0.436 272 HG23 ILE 30 3HG2 ILE 30 249.738 -2.065 -0.520 273 HD11 ILE 30 1HD1 ILE 30 247.236 -4.400 -2.411 274 HD12 ILE 30 2HD1 ILE 30 245.557 -4.425 -1.876 275 HD13 ILE 30 3HD1 ILE 30 246.862 -4.386 -0.689 276 H CYS 31 H CYS 31 249.109 0.603 -3.281 277 HA CYS 31 HA CYS 31 246.930 2.010 -4.549 278 HB2 CYS 31 1HB CYS 31 248.572 2.841 -6.108 279 HB3 CYS 31 2HB CYS 31 249.280 2.918 -4.500 280 H ARG 32 H ARG 32 246.580 1.661 -6.978 281 HA ARG 32 HA ARG 32 245.640 -0.951 -7.326 282 HB2 ARG 32 1HB ARG 32 246.240 1.055 -9.501 283 HB3 ARG 32 2HB ARG 32 245.176 -0.336 -9.635 284 HG2 ARG 32 1HG ARG 32 244.760 2.118 -7.947 285 HG3 ARG 32 2HG ARG 32 243.845 1.629 -9.370 286 HD2 ARG 32 1HD ARG 32 243.941 0.179 -6.724 287 HD3 ARG 32 2HD ARG 32 242.605 1.156 -7.325 288 HE ARG 32 HE ARG 32 243.214 -0.894 -9.168 289 HH11 ARG 32 1HH1 ARG 32 241.709 -0.374 -6.047 290 HH12 ARG 32 2HH1 ARG 32 240.676 -1.760 -6.179 291 HH21 ARG 32 1HH2 ARG 32 241.847 -2.712 -9.343 292 HH22 ARG 32 2HH2 ARG 32 240.750 -3.083 -8.051 293 H GLU 33 H GLU 33 248.636 0.568 -8.300 294 HA GLU 33 HA GLU 33 249.598 -1.500 -9.975 295 HB2 GLU 33 1HB GLU 33 250.436 0.842 -9.956 296 HB3 GLU 33 2HB GLU 33 251.174 0.533 -8.392 297 HG2 GLU 33 1HG GLU 33 252.517 -1.269 -9.471 298 HG3 GLU 33 2HG GLU 33 251.874 -0.736 -11.024 299 H HIS 34 H HIS 34 249.484 -1.115 -6.535 300 HA HIS 34 HA HIS 34 251.290 -3.428 -6.199 301 HB2 HIS 34 1HB HIS 34 250.689 -1.103 -4.374 302 HB3 HIS 34 2HB HIS 34 251.381 -2.597 -3.759 303 HD2 HIS 34 HD2 HIS 34 253.525 -2.964 -6.297 304 HE1 HIS 34 HE1 HIS 34 255.064 0.634 -4.681 305 HE2 HIS 34 HE2 HIS 34 255.623 -1.470 -5.990 306 H ASN 35 H ASN 35 248.350 -3.332 -6.809 307 HA ASN 35 HA ASN 35 247.315 -4.426 -4.287 308 HB2 ASN 35 1HB ASN 35 245.572 -3.046 -4.418 309 HB3 ASN 35 2HB ASN 35 246.372 -2.256 -5.765 310 HD21 ASN 35 1HD2 ASN 35 245.800 -2.937 -7.926 311 HD22 ASN 35 2HD2 ASN 35 244.251 -3.653 -8.219 312 H ILE 36 H ILE 36 246.408 -6.339 -4.218 313 HA ILE 36 HA ILE 36 245.210 -7.439 -6.670 314 HB ILE 36 HB ILE 36 245.649 -9.734 -5.775 315 HG12 ILE 36 1HG1 ILE 36 247.514 -8.300 -3.871 316 HG13 ILE 36 2HG1 ILE 36 246.014 -9.098 -3.417 317 HG21 ILE 36 1HG2 ILE 36 247.044 -8.852 -7.540 318 HG22 ILE 36 2HG2 ILE 36 248.014 -9.831 -6.439 319 HG23 ILE 36 3HG2 ILE 36 248.092 -8.072 -6.356 320 HD11 ILE 36 1HD1 ILE 36 246.941 -11.242 -4.101 321 HD12 ILE 36 2HD1 ILE 36 247.957 -10.460 -2.889 322 HD13 ILE 36 3HD1 ILE 36 248.439 -10.446 -4.585 323 H ASP 37 H ASP 37 244.172 -5.704 -4.709 324 HA ASP 37 HA ASP 37 242.501 -5.326 -3.235 325 HB2 ASP 37 1HB ASP 37 241.107 -6.879 -4.538 326 HB3 ASP 37 2HB ASP 37 241.749 -8.232 -3.612 327 H MET 38 H MET 38 244.173 -8.366 -2.721 328 HA MET 38 HA MET 38 244.332 -7.833 0.149 329 HB2 MET 38 1HB MET 38 245.394 -10.168 -1.469 330 HB3 MET 38 2HB MET 38 245.394 -10.049 0.284 331 HG2 MET 38 1HG MET 38 242.947 -10.027 0.279 332 HG3 MET 38 2HG MET 38 242.959 -10.173 -1.478 333 HE1 MET 38 1HE MET 38 245.445 -12.192 -1.884 334 HE2 MET 38 2HE MET 38 243.925 -12.284 -2.772 335 HE3 MET 38 3HE MET 38 244.568 -13.718 -1.972 336 H CYS 39 H CYS 39 246.611 -8.204 1.073 337 HA CYS 39 HA CYS 39 248.491 -6.712 -0.608 338 HB2 CYS 39 1HB CYS 39 249.520 -5.880 1.340 339 HB3 CYS 39 2HB CYS 39 247.801 -5.824 1.691 340 H GLN 40 H GLN 40 250.617 -7.375 -0.815 341 HA GLN 40 HA GLN 40 250.931 -10.128 -1.281 342 HB2 GLN 40 1HB GLN 40 253.003 -7.936 -1.129 343 HB3 GLN 40 2HB GLN 40 253.293 -9.548 -1.765 344 HG2 GLN 40 1HG GLN 40 251.808 -9.189 -3.581 345 HG3 GLN 40 2HG GLN 40 251.226 -7.680 -2.881 346 HE21 GLN 40 1HE2 GLN 40 251.773 -6.530 -4.731 347 HE22 GLN 40 2HE2 GLN 40 253.410 -6.150 -5.132 348 H SER 41 H SER 41 251.432 -8.259 1.534 349 HA SER 41 HA SER 41 253.500 -9.739 2.756 350 HB2 SER 41 1HB SER 41 252.702 -7.432 3.410 351 HB3 SER 41 2HB SER 41 251.306 -8.201 4.161 352 HG SER 41 HG SER 41 254.043 -8.500 4.846 353 H CYS 42 H CYS 42 250.176 -10.438 2.238 354 HA CYS 42 HA CYS 42 250.359 -12.668 4.157 355 HB2 CYS 42 1HB CYS 42 247.902 -12.580 4.327 356 HB3 CYS 42 2HB CYS 42 248.648 -11.069 4.838 357 H PHE 43 H PHE 43 250.958 -12.281 1.150 358 HA PHE 43 HA PHE 43 249.074 -13.977 -0.177 359 HB2 PHE 43 1HB PHE 43 250.393 -12.230 -1.356 360 HB3 PHE 43 2HB PHE 43 251.853 -13.166 -1.062 361 HD1 PHE 43 HD1 PHE 43 248.529 -13.335 -2.705 362 HD2 PHE 43 HD2 PHE 43 252.521 -14.808 -2.571 363 HE1 PHE 43 HE1 PHE 43 248.137 -14.578 -4.792 364 HE2 PHE 43 HE2 PHE 43 252.134 -16.053 -4.658 365 HZ PHE 43 HZ PHE 43 249.941 -15.939 -5.771 Start of MODEL 11 1 H1 VAL 1 1H VAL 1 248.191 6.674 11.042 2 H2 VAL 1 2H VAL 1 249.328 6.657 12.292 3 H3 VAL 1 3H VAL 1 249.243 7.982 11.249 4 HA VAL 1 HA VAL 1 247.137 7.127 13.143 5 HB VAL 1 HB VAL 1 248.880 9.600 13.228 6 HG11 VAL 1 1HG1 VAL 1 246.848 8.537 15.188 7 HG12 VAL 1 2HG1 VAL 1 246.658 9.955 14.155 8 HG13 VAL 1 3HG1 VAL 1 247.873 9.951 15.434 9 HG21 VAL 1 1HG2 VAL 1 248.980 7.121 14.946 10 HG22 VAL 1 2HG2 VAL 1 249.909 8.594 15.219 11 HG23 VAL 1 3HG2 VAL 1 250.196 7.626 13.774 12 H MET 2 H MET 2 248.241 9.828 11.052 13 HA MET 2 HA MET 2 245.438 10.182 10.254 14 HB2 MET 2 1HB MET 2 245.797 12.661 10.294 15 HB3 MET 2 2HB MET 2 245.784 11.902 11.879 16 HG2 MET 2 1HG MET 2 248.183 12.022 12.011 17 HG3 MET 2 2HG MET 2 248.276 12.639 10.362 18 HE1 MET 2 1HE MET 2 245.981 14.750 10.152 19 HE2 MET 2 2HE MET 2 247.640 15.035 9.627 20 HE3 MET 2 3HE MET 2 246.827 16.212 10.656 21 H LYS 3 H LYS 3 245.246 9.976 8.165 22 HA LYS 3 HA LYS 3 245.547 10.132 5.930 23 HB2 LYS 3 1HB LYS 3 247.271 12.476 6.722 24 HB3 LYS 3 2HB LYS 3 246.780 12.117 5.073 25 HG2 LYS 3 1HG LYS 3 244.926 12.744 7.362 26 HG3 LYS 3 2HG LYS 3 245.390 13.854 6.070 27 HD2 LYS 3 1HD LYS 3 244.406 12.271 4.430 28 HD3 LYS 3 2HD LYS 3 243.849 11.276 5.776 29 HE2 LYS 3 1HE LYS 3 242.521 13.158 6.609 30 HE3 LYS 3 2HE LYS 3 243.068 14.142 5.253 31 HZ1 LYS 3 1HZ LYS 3 241.980 12.641 3.738 32 HZ2 LYS 3 2HZ LYS 3 240.863 13.178 4.889 33 HZ3 LYS 3 3HZ LYS 3 241.516 11.624 5.006 34 H LYS 4 H LYS 4 247.406 8.472 7.493 35 HA LYS 4 HA LYS 4 249.717 8.481 5.689 36 HB2 LYS 4 1HB LYS 4 249.281 6.912 8.237 37 HB3 LYS 4 2HB LYS 4 250.749 6.907 7.269 38 HG2 LYS 4 1HG LYS 4 249.596 9.211 8.820 39 HG3 LYS 4 2HG LYS 4 251.091 8.332 9.150 40 HD2 LYS 4 1HD LYS 4 252.048 9.154 7.061 41 HD3 LYS 4 2HD LYS 4 250.543 9.997 6.693 42 HE2 LYS 4 1HE LYS 4 250.855 11.294 8.812 43 HE3 LYS 4 2HE LYS 4 252.451 10.558 8.954 44 HZ1 LYS 4 1HZ LYS 4 252.548 12.744 7.919 45 HZ2 LYS 4 2HZ LYS 4 251.524 12.224 6.679 46 HZ3 LYS 4 3HZ LYS 4 253.063 11.543 6.843 47 H ARG 5 H ARG 5 246.824 6.831 6.451 48 HA ARG 5 HA ARG 5 247.582 4.577 4.744 49 HB2 ARG 5 1HB ARG 5 245.211 4.923 6.581 50 HB3 ARG 5 2HB ARG 5 245.504 3.506 5.582 51 HG2 ARG 5 1HG ARG 5 247.671 3.203 6.776 52 HG3 ARG 5 2HG ARG 5 247.192 4.511 7.858 53 HD2 ARG 5 1HD ARG 5 245.720 1.916 7.437 54 HD3 ARG 5 2HD ARG 5 246.703 2.337 8.838 55 HE ARG 5 HE ARG 5 244.580 4.199 8.335 56 HH11 ARG 5 1HH1 ARG 5 245.461 1.208 9.921 57 HH12 ARG 5 2HH1 ARG 5 244.123 1.256 11.024 58 HH21 ARG 5 1HH2 ARG 5 242.849 4.287 9.791 59 HH22 ARG 5 2HH2 ARG 5 242.640 3.023 10.958 60 H THR 6 H THR 6 246.742 7.439 4.077 61 HA THR 6 HA THR 6 244.559 6.939 2.231 62 HB THR 6 HB THR 6 246.349 9.375 2.441 63 HG1 THR 6 HG1 THR 6 244.553 8.460 4.190 64 HG21 THR 6 1HG2 THR 6 245.073 9.232 0.357 65 HG22 THR 6 2HG2 THR 6 244.482 10.545 1.376 66 HG23 THR 6 3HG2 THR 6 243.582 9.030 1.280 67 H TYR 7 H TYR 7 247.890 6.601 2.421 68 HA TYR 7 HA TYR 7 248.206 6.523 -0.498 69 HB2 TYR 7 1HB TYR 7 250.264 7.187 1.620 70 HB3 TYR 7 2HB TYR 7 250.600 7.040 -0.102 71 HD1 TYR 7 HD1 TYR 7 249.331 9.172 2.526 72 HD2 TYR 7 HD2 TYR 7 249.587 8.673 -1.691 73 HE1 TYR 7 HE1 TYR 7 248.755 11.540 2.216 74 HE2 TYR 7 HE2 TYR 7 249.024 11.038 -2.011 75 HH TYR 7 HH TYR 7 249.073 13.304 0.490 76 H CYS 8 H CYS 8 249.400 4.864 -1.369 77 HA CYS 8 HA CYS 8 249.012 2.333 -0.271 78 HB2 CYS 8 1HB CYS 8 249.217 2.552 -2.617 79 HB3 CYS 8 2HB CYS 8 250.774 3.351 -2.486 80 H THR 9 H THR 9 250.041 1.199 1.176 81 HA THR 9 HA THR 9 252.233 2.200 2.641 82 HB THR 9 HB THR 9 251.304 -0.670 2.613 83 HG1 THR 9 HG1 THR 9 249.441 0.493 2.901 84 HG21 THR 9 1HG2 THR 9 251.895 -0.545 5.012 85 HG22 THR 9 2HG2 THR 9 252.492 1.094 4.755 86 HG23 THR 9 3HG2 THR 9 253.278 -0.268 3.953 87 H TYR 10 H TYR 10 251.990 0.035 -0.086 88 HA TYR 10 HA TYR 10 254.695 -0.915 0.148 89 HB2 TYR 10 1HB TYR 10 252.458 -1.347 -1.774 90 HB3 TYR 10 2HB TYR 10 254.100 -1.699 -2.309 91 HD1 TYR 10 HD1 TYR 10 254.756 -3.881 -2.100 92 HD2 TYR 10 HD2 TYR 10 252.010 -2.309 0.739 93 HE1 TYR 10 HE1 TYR 10 254.692 -6.061 -0.967 94 HE2 TYR 10 HE2 TYR 10 251.932 -4.481 1.880 95 HH TYR 10 HH TYR 10 254.181 -6.910 1.353 96 H CYS 11 H CYS 11 253.110 1.770 -1.287 97 HA CYS 11 HA CYS 11 255.344 2.430 -3.005 98 HB2 CYS 11 1HB CYS 11 252.727 3.746 -2.355 99 HB3 CYS 11 2HB CYS 11 254.005 4.674 -3.128 100 HA PRO 12 HA PRO 12 257.771 4.152 0.270 101 HB2 PRO 12 1HB PRO 12 258.932 5.845 -1.862 102 HB3 PRO 12 2HB PRO 12 259.731 4.725 -0.755 103 HG2 PRO 12 1HG PRO 12 259.387 4.130 -3.346 104 HG3 PRO 12 2HG PRO 12 259.292 2.889 -2.083 105 HD2 PRO 12 1HD PRO 12 257.101 4.215 -3.611 106 HD3 PRO 12 2HD PRO 12 257.231 2.542 -3.035 107 H SER 13 H SER 13 258.021 6.130 1.441 108 HA SER 13 HA SER 13 255.739 7.690 1.519 109 HB2 SER 13 1HB SER 13 257.334 7.455 3.398 110 HB3 SER 13 2HB SER 13 258.480 8.478 2.535 111 HG SER 13 HG SER 13 255.884 9.218 3.427 112 H LYS 14 H LYS 14 258.851 8.442 -0.028 113 HA LYS 14 HA LYS 14 258.136 11.063 -0.833 114 HB2 LYS 14 1HB LYS 14 260.227 9.184 -1.942 115 HB3 LYS 14 2HB LYS 14 260.086 10.885 -2.365 116 HG2 LYS 14 1HG LYS 14 260.624 9.819 0.399 117 HG3 LYS 14 2HG LYS 14 261.835 10.481 -0.700 118 HD2 LYS 14 1HD LYS 14 260.672 12.630 -0.689 119 HD3 LYS 14 2HD LYS 14 259.448 11.969 0.394 120 HE2 LYS 14 1HE LYS 14 261.213 11.554 2.074 121 HE3 LYS 14 2HE LYS 14 262.381 12.316 0.996 122 HZ1 LYS 14 1HZ LYS 14 261.160 14.371 1.141 123 HZ2 LYS 14 2HZ LYS 14 261.541 13.839 2.700 124 HZ3 LYS 14 3HZ LYS 14 259.971 13.650 2.102 125 H ILE 15 H ILE 15 257.242 8.009 -2.000 126 HA ILE 15 HA ILE 15 256.401 9.111 -4.589 127 HB ILE 15 HB ILE 15 256.251 6.231 -3.682 128 HG12 ILE 15 1HG1 ILE 15 258.596 6.948 -3.683 129 HG13 ILE 15 2HG1 ILE 15 258.286 5.827 -5.003 130 HG21 ILE 15 1HG2 ILE 15 254.755 6.798 -5.517 131 HG22 ILE 15 2HG2 ILE 15 256.054 5.743 -6.074 132 HG23 ILE 15 3HG2 ILE 15 256.108 7.469 -6.429 133 HD11 ILE 15 1HD1 ILE 15 258.161 7.724 -6.552 134 HD12 ILE 15 2HD1 ILE 15 259.718 7.623 -5.730 135 HD13 ILE 15 3HD1 ILE 15 258.527 8.817 -5.218 136 H ARG 16 H ARG 16 254.855 10.393 -3.260 137 HA ARG 16 HA ARG 16 252.813 9.198 -1.764 138 HB2 ARG 16 1HB ARG 16 251.660 11.317 -1.811 139 HB3 ARG 16 2HB ARG 16 253.375 11.593 -1.579 140 HG2 ARG 16 1HG ARG 16 252.030 11.840 -4.253 141 HG3 ARG 16 2HG ARG 16 252.167 13.181 -3.119 142 HD2 ARG 16 1HD ARG 16 254.478 11.627 -4.276 143 HD3 ARG 16 2HD ARG 16 253.928 13.203 -4.840 144 HE ARG 16 HE ARG 16 254.493 13.271 -2.063 145 HH11 ARG 16 1HH1 ARG 16 256.042 13.234 -5.199 146 HH12 ARG 16 2HH1 ARG 16 257.465 14.058 -4.644 147 HH21 ARG 16 1HH2 ARG 16 256.351 14.359 -1.332 148 HH22 ARG 16 2HH2 ARG 16 257.644 14.693 -2.441 149 H ARG 17 H ARG 17 251.893 7.506 -2.753 150 HA ARG 17 HA ARG 17 250.299 8.067 -5.161 151 HB2 ARG 17 1HB ARG 17 252.250 6.458 -5.421 152 HB3 ARG 17 2HB ARG 17 251.411 5.383 -4.316 153 HG2 ARG 17 1HG ARG 17 250.987 4.629 -6.525 154 HG3 ARG 17 2HG ARG 17 249.497 5.347 -5.911 155 HD2 ARG 17 1HD ARG 17 249.899 7.367 -7.171 156 HD3 ARG 17 2HD ARG 17 251.479 6.779 -7.683 157 HE ARG 17 HE ARG 17 249.991 4.877 -8.701 158 HH11 ARG 17 1HH1 ARG 17 249.346 8.323 -8.666 159 HH12 ARG 17 2HH1 ARG 17 248.397 8.280 -10.114 160 HH21 ARG 17 1HH2 ARG 17 248.779 4.822 -10.591 161 HH22 ARG 17 2HH2 ARG 17 248.063 6.274 -11.216 162 H LYS 18 H LYS 18 248.194 8.083 -4.731 163 HA LYS 18 HA LYS 18 247.154 7.436 -2.199 164 HB2 LYS 18 1HB LYS 18 245.850 8.040 -4.841 165 HB3 LYS 18 2HB LYS 18 244.896 7.598 -3.435 166 HG2 LYS 18 1HG LYS 18 244.861 9.931 -3.482 167 HG3 LYS 18 2HG LYS 18 246.046 9.527 -2.241 168 HD2 LYS 18 1HD LYS 18 247.859 9.980 -3.752 169 HD3 LYS 18 2HD LYS 18 246.736 10.210 -5.093 170 HE2 LYS 18 1HE LYS 18 246.894 11.919 -2.613 171 HE3 LYS 18 2HE LYS 18 247.534 12.349 -4.198 172 HZ1 LYS 18 1HZ LYS 18 245.380 13.365 -3.790 173 HZ2 LYS 18 2HZ LYS 18 244.675 11.845 -3.578 174 HZ3 LYS 18 3HZ LYS 18 245.295 12.284 -5.087 175 H ALA 19 H ALA 19 246.030 5.712 -1.442 176 HA ALA 19 HA ALA 19 246.420 3.219 -2.861 177 HB1 ALA 19 1HB ALA 19 245.666 2.159 -0.817 178 HB2 ALA 19 2HB ALA 19 245.190 3.723 -0.155 179 HB3 ALA 19 3HB ALA 19 246.893 3.374 -0.458 180 H ASN 20 H ASN 20 244.948 2.267 -4.078 181 HA ASN 20 HA ASN 20 242.131 3.068 -3.799 182 HB2 ASN 20 1HB ASN 20 243.717 2.166 -6.191 183 HB3 ASN 20 2HB ASN 20 241.962 2.041 -6.169 184 HD21 ASN 20 1HD2 ASN 20 243.828 3.698 -7.784 185 HD22 ASN 20 2HD2 ASN 20 243.270 5.322 -7.577 186 H ALA 21 H ALA 21 243.981 0.892 -2.600 187 HA ALA 21 HA ALA 21 241.941 -1.154 -2.530 188 HB1 ALA 21 1HB ALA 21 243.526 -2.959 -3.087 189 HB2 ALA 21 2HB ALA 21 244.733 -1.747 -3.508 190 HB3 ALA 21 3HB ALA 21 243.244 -1.871 -4.443 191 H SER 22 H SER 22 242.627 -2.896 -0.898 192 HA SER 22 HA SER 22 244.600 -2.068 1.027 193 HB2 SER 22 1HB SER 22 242.944 -1.884 2.902 194 HB3 SER 22 2HB SER 22 242.840 -0.582 1.720 195 HG SER 22 HG SER 22 241.245 -2.802 1.239 196 H CYS 23 H CYS 23 245.405 -3.776 2.049 197 HA CYS 23 HA CYS 23 244.196 -6.370 1.586 198 HB2 CYS 23 1HB CYS 23 246.642 -6.013 1.375 199 HB3 CYS 23 2HB CYS 23 246.712 -5.622 3.089 200 H LYS 24 H LYS 24 242.442 -6.651 2.821 201 HA LYS 24 HA LYS 24 241.823 -5.331 5.162 202 HB2 LYS 24 1HB LYS 24 240.749 -7.738 3.798 203 HB3 LYS 24 2HB LYS 24 240.237 -7.450 5.452 204 HG2 LYS 24 1HG LYS 24 238.633 -6.501 3.928 205 HG3 LYS 24 2HG LYS 24 239.453 -5.209 4.800 206 HD2 LYS 24 1HD LYS 24 239.296 -4.522 2.534 207 HD3 LYS 24 2HD LYS 24 240.976 -4.979 2.809 208 HE2 LYS 24 1HE LYS 24 240.321 -5.885 0.704 209 HE3 LYS 24 2HE LYS 24 240.434 -7.223 1.844 210 HZ1 LYS 24 1HZ LYS 24 237.920 -5.871 1.030 211 HZ2 LYS 24 2HZ LYS 24 238.041 -7.178 2.092 212 HZ3 LYS 24 3HZ LYS 24 238.452 -7.373 0.467 213 H LYS 25 H LYS 25 243.503 -8.424 4.846 214 HA LYS 25 HA LYS 25 243.072 -9.291 7.485 215 HB2 LYS 25 1HB LYS 25 245.224 -10.006 5.505 216 HB3 LYS 25 2HB LYS 25 245.078 -10.771 7.081 217 HG2 LYS 25 1HG LYS 25 242.764 -11.454 6.457 218 HG3 LYS 25 2HG LYS 25 243.080 -10.835 4.835 219 HD2 LYS 25 1HD LYS 25 245.002 -12.378 4.666 220 HD3 LYS 25 2HD LYS 25 244.579 -13.038 6.246 221 HE2 LYS 25 1HE LYS 25 242.862 -13.095 3.766 222 HE3 LYS 25 2HE LYS 25 243.731 -14.461 4.463 223 HZ1 LYS 25 1HZ LYS 25 242.362 -14.215 6.469 224 HZ2 LYS 25 2HZ LYS 25 241.431 -14.540 5.098 225 HZ3 LYS 25 3HZ LYS 25 241.492 -12.971 5.721 226 H CYS 26 H CYS 26 245.579 -7.202 6.136 227 HA CYS 26 HA CYS 26 246.676 -6.968 8.858 228 HB2 CYS 26 1HB CYS 26 248.728 -6.070 7.791 229 HB3 CYS 26 2HB CYS 26 248.362 -7.721 7.306 230 H LYS 27 H LYS 27 244.731 -5.453 6.652 231 HA LYS 27 HA LYS 27 243.682 -3.450 6.625 232 HB2 LYS 27 1HB LYS 27 245.147 -2.997 9.230 233 HB3 LYS 27 2HB LYS 27 243.928 -1.913 8.580 234 HG2 LYS 27 1HG LYS 27 243.431 -4.801 9.275 235 HG3 LYS 27 2HG LYS 27 243.095 -3.442 10.349 236 HD2 LYS 27 1HD LYS 27 241.565 -2.518 8.644 237 HD3 LYS 27 2HD LYS 27 241.866 -3.936 7.638 238 HE2 LYS 27 1HE LYS 27 240.968 -5.374 9.408 239 HE3 LYS 27 2HE LYS 27 240.657 -3.952 10.402 240 HZ1 LYS 27 1HZ LYS 27 239.105 -3.162 8.746 241 HZ2 LYS 27 2HZ LYS 27 238.671 -4.716 9.245 242 HZ3 LYS 27 3HZ LYS 27 239.430 -4.490 7.753 243 H LYS 28 H LYS 28 246.560 -3.926 5.679 244 HA LYS 28 HA LYS 28 247.554 -1.196 5.638 245 HB2 LYS 28 1HB LYS 28 248.678 -3.786 4.584 246 HB3 LYS 28 2HB LYS 28 249.406 -2.227 4.225 247 HG2 LYS 28 1HG LYS 28 249.671 -1.839 6.657 248 HG3 LYS 28 2HG LYS 28 249.062 -3.472 6.943 249 HD2 LYS 28 1HD LYS 28 250.908 -4.430 5.741 250 HD3 LYS 28 2HD LYS 28 251.469 -2.835 5.244 251 HE2 LYS 28 1HE LYS 28 252.849 -3.592 7.051 252 HE3 LYS 28 2HE LYS 28 251.832 -2.280 7.641 253 HZ1 LYS 28 1HZ LYS 28 250.359 -3.925 8.629 254 HZ2 LYS 28 2HZ LYS 28 251.929 -4.090 9.223 255 HZ3 LYS 28 3HZ LYS 28 251.345 -5.179 8.070 256 H VAL 29 H VAL 29 247.159 0.184 4.092 257 HA VAL 29 HA VAL 29 245.521 -0.595 1.856 258 HB VAL 29 HB VAL 29 245.473 1.801 1.311 259 HG11 VAL 29 1HG1 VAL 29 243.858 0.924 2.897 260 HG12 VAL 29 2HG1 VAL 29 244.320 2.566 3.339 261 HG13 VAL 29 3HG1 VAL 29 244.987 1.193 4.223 262 HG21 VAL 29 1HG2 VAL 29 247.305 2.124 3.686 263 HG22 VAL 29 2HG2 VAL 29 246.562 3.432 2.762 264 HG23 VAL 29 3HG2 VAL 29 247.750 2.375 1.998 265 H ILE 30 H ILE 30 246.055 -0.392 -0.325 266 HA ILE 30 HA ILE 30 248.873 0.025 -0.991 267 HB ILE 30 HB ILE 30 248.850 -2.077 -2.380 268 HG12 ILE 30 1HG1 ILE 30 246.459 -2.727 -0.642 269 HG13 ILE 30 2HG1 ILE 30 246.406 -2.408 -2.371 270 HG21 ILE 30 1HG2 ILE 30 248.662 -2.414 0.611 271 HG22 ILE 30 2HG2 ILE 30 250.097 -1.943 -0.299 272 HG23 ILE 30 3HG2 ILE 30 249.411 -3.554 -0.509 273 HD11 ILE 30 1HD1 ILE 30 246.289 -4.784 -1.879 274 HD12 ILE 30 2HD1 ILE 30 247.844 -4.694 -1.053 275 HD13 ILE 30 3HD1 ILE 30 247.746 -4.384 -2.786 276 H CYS 31 H CYS 31 249.192 -0.039 -3.389 277 HA CYS 31 HA CYS 31 246.893 1.179 -4.728 278 HB2 CYS 31 1HB CYS 31 248.449 2.099 -6.309 279 HB3 CYS 31 2HB CYS 31 249.139 2.360 -4.713 280 H ARG 32 H ARG 32 246.178 0.399 -6.721 281 HA ARG 32 HA ARG 32 246.234 -2.428 -6.961 282 HB2 ARG 32 1HB ARG 32 245.122 -0.334 -8.831 283 HB3 ARG 32 2HB ARG 32 244.814 -2.061 -8.949 284 HG2 ARG 32 1HG ARG 32 243.702 -2.042 -6.799 285 HG3 ARG 32 2HG ARG 32 244.070 -0.327 -6.602 286 HD2 ARG 32 1HD ARG 32 242.323 -1.555 -8.733 287 HD3 ARG 32 2HD ARG 32 241.776 -0.629 -7.336 288 HE ARG 32 HE ARG 32 243.612 0.745 -9.111 289 HH11 ARG 32 1HH1 ARG 32 240.272 0.120 -8.274 290 HH12 ARG 32 2HH1 ARG 32 239.680 1.556 -9.047 291 HH21 ARG 32 1HH2 ARG 32 242.835 2.629 -10.140 292 HH22 ARG 32 2HH2 ARG 32 241.134 2.979 -10.117 293 H GLU 33 H GLU 33 248.401 -0.124 -7.940 294 HA GLU 33 HA GLU 33 249.331 -1.498 -10.306 295 HB2 GLU 33 1HB GLU 33 250.594 0.738 -8.709 296 HB3 GLU 33 2HB GLU 33 251.155 0.152 -10.268 297 HG2 GLU 33 1HG GLU 33 249.055 0.859 -11.292 298 HG3 GLU 33 2HG GLU 33 248.493 1.449 -9.728 299 H HIS 34 H HIS 34 249.882 -1.483 -6.889 300 HA HIS 34 HA HIS 34 252.326 -3.049 -7.135 301 HB2 HIS 34 1HB HIS 34 250.996 -1.564 -4.957 302 HB3 HIS 34 2HB HIS 34 251.756 -3.074 -4.460 303 HD2 HIS 34 HD2 HIS 34 254.367 -2.855 -6.442 304 HE1 HIS 34 HE1 HIS 34 255.127 0.643 -4.199 305 HE2 HIS 34 HE2 HIS 34 256.081 -1.000 -5.872 306 H ASN 35 H ASN 35 248.962 -3.420 -6.187 307 HA ASN 35 HA ASN 35 248.900 -6.076 -7.148 308 HB2 ASN 35 1HB ASN 35 250.011 -6.507 -4.946 309 HB3 ASN 35 2HB ASN 35 248.597 -5.833 -4.147 310 HD21 ASN 35 1HD2 ASN 35 249.877 -8.546 -5.890 311 HD22 ASN 35 2HD2 ASN 35 248.546 -9.611 -5.605 312 H ILE 36 H ILE 36 246.685 -7.010 -6.924 313 HA ILE 36 HA ILE 36 244.794 -5.051 -7.559 314 HB ILE 36 HB ILE 36 244.561 -7.263 -8.445 315 HG12 ILE 36 1HG1 ILE 36 242.171 -7.717 -7.919 316 HG13 ILE 36 2HG1 ILE 36 242.277 -6.570 -6.589 317 HG21 ILE 36 1HG2 ILE 36 243.932 -9.193 -7.101 318 HG22 ILE 36 2HG2 ILE 36 244.049 -8.221 -5.636 319 HG23 ILE 36 3HG2 ILE 36 245.491 -8.546 -6.598 320 HD11 ILE 36 1HD1 ILE 36 242.679 -5.933 -9.503 321 HD12 ILE 36 2HD1 ILE 36 242.774 -4.782 -8.169 322 HD13 ILE 36 3HD1 ILE 36 241.243 -5.572 -8.546 323 H ASP 37 H ASP 37 245.027 -7.026 -4.571 324 HA ASP 37 HA ASP 37 244.121 -4.924 -2.901 325 HB2 ASP 37 1HB ASP 37 241.994 -5.564 -4.156 326 HB3 ASP 37 2HB ASP 37 242.067 -7.103 -3.309 327 H MET 38 H MET 38 246.182 -6.911 -3.005 328 HA MET 38 HA MET 38 245.820 -8.116 -0.366 329 HB2 MET 38 1HB MET 38 246.848 -9.674 -2.757 330 HB3 MET 38 2HB MET 38 246.694 -10.275 -1.115 331 HG2 MET 38 1HG MET 38 244.287 -10.132 -1.249 332 HG3 MET 38 2HG MET 38 244.395 -9.419 -2.857 333 HE1 MET 38 1HE MET 38 242.541 -11.896 -2.315 334 HE2 MET 38 2HE MET 38 242.929 -12.917 -3.700 335 HE3 MET 38 3HE MET 38 242.772 -11.173 -3.906 336 H CYS 39 H CYS 39 247.830 -8.351 0.750 337 HA CYS 39 HA CYS 39 250.029 -6.935 -0.569 338 HB2 CYS 39 1HB CYS 39 250.916 -6.423 1.538 339 HB3 CYS 39 2HB CYS 39 249.181 -6.311 1.795 340 H GLN 40 H GLN 40 252.280 -7.846 0.151 341 HA GLN 40 HA GLN 40 252.261 -10.655 -0.635 342 HB2 GLN 40 1HB GLN 40 253.764 -9.041 -1.780 343 HB3 GLN 40 2HB GLN 40 254.593 -8.768 -0.255 344 HG2 GLN 40 1HG GLN 40 255.279 -11.104 -0.201 345 HG3 GLN 40 2HG GLN 40 254.436 -11.389 -1.721 346 HE21 GLN 40 1HE2 GLN 40 256.221 -8.476 -0.993 347 HE22 GLN 40 2HE2 GLN 40 257.489 -8.739 -2.139 348 H SER 41 H SER 41 252.671 -8.672 2.119 349 HA SER 41 HA SER 41 254.304 -10.463 3.632 350 HB2 SER 41 1HB SER 41 252.612 -8.147 4.585 351 HB3 SER 41 2HB SER 41 253.948 -8.899 5.454 352 HG SER 41 HG SER 41 255.307 -8.227 3.688 353 H CYS 42 H CYS 42 250.906 -10.111 3.068 354 HA CYS 42 HA CYS 42 250.352 -12.533 4.508 355 HB2 CYS 42 1HB CYS 42 249.235 -11.750 6.317 356 HB3 CYS 42 2HB CYS 42 250.199 -10.309 6.057 357 H PHE 43 H PHE 43 247.827 -12.882 4.424 358 HA PHE 43 HA PHE 43 245.948 -13.162 3.183 359 HB2 PHE 43 1HB PHE 43 246.273 -10.556 2.881 360 HB3 PHE 43 2HB PHE 43 246.712 -11.011 1.242 361 HD1 PHE 43 HD1 PHE 43 244.923 -12.918 0.309 362 HD2 PHE 43 HD2 PHE 43 244.148 -9.799 3.098 363 HE1 PHE 43 HE1 PHE 43 242.540 -12.972 -0.297 364 HE2 PHE 43 HE2 PHE 43 241.765 -9.850 2.500 365 HZ PHE 43 HZ PHE 43 240.957 -11.437 0.800 Start of MODEL 12 1 H1 VAL 1 1H VAL 1 247.358 4.765 13.296 2 H2 VAL 1 2H VAL 1 248.135 4.160 14.667 3 H3 VAL 1 3H VAL 1 248.947 5.230 13.642 4 HA VAL 1 HA VAL 1 246.576 5.845 15.306 5 HB VAL 1 HB VAL 1 249.395 6.925 15.513 6 HG11 VAL 1 1HG1 VAL 1 247.010 7.269 17.324 7 HG12 VAL 1 2HG1 VAL 1 247.684 8.496 16.251 8 HG13 VAL 1 3HG1 VAL 1 248.629 7.901 17.616 9 HG21 VAL 1 1HG2 VAL 1 247.994 4.901 17.255 10 HG22 VAL 1 2HG2 VAL 1 249.570 5.620 17.582 11 HG23 VAL 1 3HG2 VAL 1 249.350 4.583 16.173 12 H MET 2 H MET 2 248.940 6.965 12.914 13 HA MET 2 HA MET 2 247.614 9.484 12.551 14 HB2 MET 2 1HB MET 2 249.988 9.376 12.140 15 HB3 MET 2 2HB MET 2 249.772 8.083 10.970 16 HG2 MET 2 1HG MET 2 250.227 10.310 9.973 17 HG3 MET 2 2HG MET 2 248.739 9.551 9.413 18 HE1 MET 2 1HE MET 2 250.280 12.331 11.746 19 HE2 MET 2 2HE MET 2 249.350 11.342 12.870 20 HE3 MET 2 3HE MET 2 248.829 12.987 12.503 21 H LYS 3 H LYS 3 245.937 9.909 11.272 22 HA LYS 3 HA LYS 3 244.978 7.792 9.492 23 HB2 LYS 3 1HB LYS 3 243.656 10.180 10.739 24 HB3 LYS 3 2HB LYS 3 242.957 9.433 9.315 25 HG2 LYS 3 1HG LYS 3 241.860 8.534 11.218 26 HG3 LYS 3 2HG LYS 3 242.902 7.274 10.562 27 HD2 LYS 3 1HD LYS 3 244.583 7.786 12.268 28 HD3 LYS 3 2HD LYS 3 243.530 9.041 12.925 29 HE2 LYS 3 1HE LYS 3 242.916 6.090 12.788 30 HE3 LYS 3 2HE LYS 3 243.372 6.988 14.234 31 HZ1 LYS 3 1HZ LYS 3 241.019 6.723 14.211 32 HZ2 LYS 3 2HZ LYS 3 240.892 7.323 12.635 33 HZ3 LYS 3 3HZ LYS 3 241.350 8.352 13.898 34 H LYS 4 H LYS 4 246.899 8.395 8.157 35 HA LYS 4 HA LYS 4 246.028 10.369 6.170 36 HB2 LYS 4 1HB LYS 4 247.969 11.169 7.586 37 HB3 LYS 4 2HB LYS 4 248.912 9.851 6.911 38 HG2 LYS 4 1HG LYS 4 249.391 11.932 5.769 39 HG3 LYS 4 2HG LYS 4 248.622 10.780 4.674 40 HD2 LYS 4 1HD LYS 4 246.483 11.907 4.966 41 HD3 LYS 4 2HD LYS 4 247.217 13.034 6.107 42 HE2 LYS 4 1HE LYS 4 248.679 13.874 4.349 43 HE3 LYS 4 2HE LYS 4 247.989 12.719 3.210 44 HZ1 LYS 4 1HZ LYS 4 246.503 14.899 4.565 45 HZ2 LYS 4 2HZ LYS 4 245.851 13.798 3.457 46 HZ3 LYS 4 3HZ LYS 4 247.019 14.910 2.955 47 H ARG 5 H ARG 5 245.585 7.543 6.380 48 HA ARG 5 HA ARG 5 247.431 6.208 4.612 49 HB2 ARG 5 1HB ARG 5 244.820 5.310 5.833 50 HB3 ARG 5 2HB ARG 5 245.849 4.287 4.845 51 HG2 ARG 5 1HG ARG 5 246.677 5.555 7.445 52 HG3 ARG 5 2HG ARG 5 246.109 3.896 7.261 53 HD2 ARG 5 1HD ARG 5 247.991 3.505 5.671 54 HD3 ARG 5 2HD ARG 5 248.589 5.118 6.055 55 HE ARG 5 HE ARG 5 248.249 3.722 8.450 56 HH11 ARG 5 1HH1 ARG 5 250.284 3.639 5.602 57 HH12 ARG 5 2HH1 ARG 5 251.622 2.896 6.424 58 HH21 ARG 5 1HH2 ARG 5 250.007 2.742 9.533 59 HH22 ARG 5 2HH2 ARG 5 251.461 2.383 8.654 60 H THR 6 H THR 6 246.615 8.277 3.212 61 HA THR 6 HA THR 6 244.525 7.352 1.380 62 HB THR 6 HB THR 6 246.102 9.913 1.151 63 HG1 THR 6 HG1 THR 6 244.101 9.215 2.959 64 HG21 THR 6 1HG2 THR 6 244.798 9.283 -0.803 65 HG22 THR 6 2HG2 THR 6 244.073 10.685 -0.016 66 HG23 THR 6 3HG2 THR 6 243.358 9.088 0.196 67 H TYR 7 H TYR 7 247.901 7.537 1.782 68 HA TYR 7 HA TYR 7 248.408 7.152 -1.075 69 HB2 TYR 7 1HB TYR 7 250.270 7.926 1.180 70 HB3 TYR 7 2HB TYR 7 250.769 7.684 -0.493 71 HD1 TYR 7 HD1 TYR 7 249.286 9.972 1.874 72 HD2 TYR 7 HD2 TYR 7 249.858 9.194 -2.265 73 HE1 TYR 7 HE1 TYR 7 248.730 12.310 1.363 74 HE2 TYR 7 HE2 TYR 7 249.312 11.527 -2.788 75 HH TYR 7 HH TYR 7 248.089 13.405 -1.797 76 H CYS 8 H CYS 8 249.510 5.424 -1.828 77 HA CYS 8 HA CYS 8 249.016 2.963 -0.643 78 HB2 CYS 8 1HB CYS 8 249.324 3.158 -3.008 79 HB3 CYS 8 2HB CYS 8 250.959 3.764 -2.803 80 H THR 9 H THR 9 249.925 1.870 0.905 81 HA THR 9 HA THR 9 252.145 2.802 2.378 82 HB THR 9 HB THR 9 250.836 0.075 2.430 83 HG1 THR 9 HG1 THR 9 250.020 2.569 3.270 84 HG21 THR 9 1HG2 THR 9 252.976 0.119 3.615 85 HG22 THR 9 2HG2 THR 9 251.629 -0.025 4.745 86 HG23 THR 9 3HG2 THR 9 252.443 1.526 4.535 87 H TYR 10 H TYR 10 251.821 0.506 -0.234 88 HA TYR 10 HA TYR 10 254.430 -0.648 0.168 89 HB2 TYR 10 1HB TYR 10 252.239 -1.025 -1.825 90 HB3 TYR 10 2HB TYR 10 253.855 -1.615 -2.202 91 HD1 TYR 10 HD1 TYR 10 254.214 -3.823 -1.744 92 HD2 TYR 10 HD2 TYR 10 251.549 -1.643 0.745 93 HE1 TYR 10 HE1 TYR 10 253.827 -5.840 -0.401 94 HE2 TYR 10 HE2 TYR 10 251.146 -3.651 2.093 95 HH TYR 10 HH TYR 10 253.098 -6.381 1.928 96 H CYS 11 H CYS 11 253.106 2.002 -1.576 97 HA CYS 11 HA CYS 11 255.380 2.301 -3.326 98 HB2 CYS 11 1HB CYS 11 252.928 3.923 -2.748 99 HB3 CYS 11 2HB CYS 11 254.284 4.673 -3.576 100 HA PRO 12 HA PRO 12 258.129 4.160 -0.365 101 HB2 PRO 12 1HB PRO 12 259.025 5.697 -2.749 102 HB3 PRO 12 2HB PRO 12 259.973 4.741 -1.609 103 HG2 PRO 12 1HG PRO 12 259.422 3.844 -4.073 104 HG3 PRO 12 2HG PRO 12 259.509 2.753 -2.679 105 HD2 PRO 12 1HD PRO 12 257.134 3.751 -4.160 106 HD3 PRO 12 2HD PRO 12 257.381 2.208 -3.321 107 H SER 13 H SER 13 258.246 6.069 0.771 108 HA SER 13 HA SER 13 256.006 7.779 0.588 109 HB2 SER 13 1HB SER 13 258.555 8.123 2.183 110 HB3 SER 13 2HB SER 13 257.053 9.011 2.443 111 HG SER 13 HG SER 13 257.341 6.183 2.619 112 H LYS 14 H LYS 14 258.961 7.830 -1.052 113 HA LYS 14 HA LYS 14 259.068 10.657 -1.548 114 HB2 LYS 14 1HB LYS 14 260.378 8.371 -3.028 115 HB3 LYS 14 2HB LYS 14 260.769 10.073 -3.217 116 HG2 LYS 14 1HG LYS 14 261.552 10.174 -0.927 117 HG3 LYS 14 2HG LYS 14 261.104 8.483 -0.685 118 HD2 LYS 14 1HD LYS 14 262.682 7.837 -2.459 119 HD3 LYS 14 2HD LYS 14 263.155 9.527 -2.633 120 HE2 LYS 14 1HE LYS 14 264.759 8.303 -1.261 121 HE3 LYS 14 2HE LYS 14 263.943 9.551 -0.323 122 HZ1 LYS 14 1HZ LYS 14 263.128 6.700 -0.326 123 HZ2 LYS 14 2HZ LYS 14 262.573 7.924 0.703 124 HZ3 LYS 14 3HZ LYS 14 264.168 7.378 0.821 125 H ILE 15 H ILE 15 257.247 8.043 -2.756 126 HA ILE 15 HA ILE 15 256.883 9.148 -5.408 127 HB ILE 15 HB ILE 15 255.460 6.815 -4.123 128 HG12 ILE 15 1HG1 ILE 15 257.843 6.374 -4.186 129 HG13 ILE 15 2HG1 ILE 15 257.046 5.418 -5.429 130 HG21 ILE 15 1HG2 ILE 15 254.272 7.745 -6.038 131 HG22 ILE 15 2HG2 ILE 15 254.933 6.153 -6.411 132 HG23 ILE 15 3HG2 ILE 15 255.731 7.604 -7.017 133 HD11 ILE 15 1HD1 ILE 15 257.748 7.059 -7.110 134 HD12 ILE 15 2HD1 ILE 15 259.114 6.337 -6.260 135 HD13 ILE 15 3HD1 ILE 15 258.584 7.968 -5.852 136 H ARG 16 H ARG 16 254.829 8.542 -2.562 137 HA ARG 16 HA ARG 16 252.852 9.434 -1.879 138 HB2 ARG 16 1HB ARG 16 254.008 11.807 -3.333 139 HB3 ARG 16 2HB ARG 16 252.522 11.885 -2.398 140 HG2 ARG 16 1HG ARG 16 253.728 11.269 -0.387 141 HG3 ARG 16 2HG ARG 16 255.224 11.118 -1.315 142 HD2 ARG 16 1HD ARG 16 253.600 13.642 -1.032 143 HD3 ARG 16 2HD ARG 16 255.053 13.271 -0.111 144 HE ARG 16 HE ARG 16 255.789 13.035 -2.743 145 HH11 ARG 16 1HH1 ARG 16 254.418 15.579 -0.762 146 HH12 ARG 16 2HH1 ARG 16 255.162 16.855 -1.670 147 HH21 ARG 16 1HH2 ARG 16 256.774 14.708 -3.925 148 HH22 ARG 16 2HH2 ARG 16 256.514 16.358 -3.459 149 H ARG 17 H ARG 17 252.065 7.794 -3.603 150 HA ARG 17 HA ARG 17 250.231 9.297 -5.340 151 HB2 ARG 17 1HB ARG 17 250.101 7.339 -6.823 152 HB3 ARG 17 2HB ARG 17 251.732 7.981 -6.732 153 HG2 ARG 17 1HG ARG 17 252.419 6.188 -5.295 154 HG3 ARG 17 2HG ARG 17 250.759 5.595 -5.179 155 HD2 ARG 17 1HD ARG 17 252.111 4.281 -6.767 156 HD3 ARG 17 2HD ARG 17 250.743 5.073 -7.543 157 HE ARG 17 HE ARG 17 252.773 6.832 -7.921 158 HH11 ARG 17 1HH1 ARG 17 252.402 3.412 -8.562 159 HH12 ARG 17 2HH1 ARG 17 253.456 3.424 -9.939 160 HH21 ARG 17 1HH2 ARG 17 254.173 6.852 -9.725 161 HH22 ARG 17 2HH2 ARG 17 254.469 5.382 -10.598 162 H LYS 18 H LYS 18 248.078 8.649 -5.370 163 HA LYS 18 HA LYS 18 247.249 7.828 -2.756 164 HB2 LYS 18 1HB LYS 18 245.731 8.741 -5.190 165 HB3 LYS 18 2HB LYS 18 244.913 8.188 -3.737 166 HG2 LYS 18 1HG LYS 18 244.963 10.517 -3.550 167 HG3 LYS 18 2HG LYS 18 246.259 9.956 -2.494 168 HD2 LYS 18 1HD LYS 18 247.110 11.811 -3.704 169 HD3 LYS 18 2HD LYS 18 247.846 10.368 -4.401 170 HE2 LYS 18 1HE LYS 18 246.139 10.417 -6.193 171 HE3 LYS 18 2HE LYS 18 245.514 11.919 -5.516 172 HZ1 LYS 18 1HZ LYS 18 246.984 12.410 -7.320 173 HZ2 LYS 18 2HZ LYS 18 248.220 11.480 -6.644 174 HZ3 LYS 18 3HZ LYS 18 247.727 12.904 -5.882 175 H ALA 19 H ALA 19 246.094 6.079 -2.146 176 HA ALA 19 HA ALA 19 246.397 3.736 -3.837 177 HB1 ALA 19 1HB ALA 19 247.069 3.664 -1.474 178 HB2 ALA 19 2HB ALA 19 245.818 2.478 -1.845 179 HB3 ALA 19 3HB ALA 19 245.398 3.969 -1.003 180 H ASN 20 H ASN 20 244.768 2.696 -4.850 181 HA ASN 20 HA ASN 20 242.019 3.611 -4.315 182 HB2 ASN 20 1HB ASN 20 242.912 4.060 -6.622 183 HB3 ASN 20 2HB ASN 20 243.046 2.320 -6.853 184 HD21 ASN 20 1HD2 ASN 20 241.601 2.372 -8.577 185 HD22 ASN 20 2HD2 ASN 20 239.903 2.583 -8.344 186 H ALA 21 H ALA 21 243.688 1.536 -3.011 187 HA ALA 21 HA ALA 21 241.595 -0.428 -2.808 188 HB1 ALA 21 1HB ALA 21 242.863 -1.410 -4.622 189 HB2 ALA 21 2HB ALA 21 243.122 -2.354 -3.155 190 HB3 ALA 21 3HB ALA 21 244.361 -1.230 -3.714 191 H SER 22 H SER 22 241.968 -1.851 -0.943 192 HA SER 22 HA SER 22 244.084 -1.023 0.865 193 HB2 SER 22 1HB SER 22 242.428 -0.703 2.727 194 HB3 SER 22 2HB SER 22 242.337 0.524 1.465 195 HG SER 22 HG SER 22 240.727 -1.627 0.967 196 H CYS 23 H CYS 23 244.870 -2.694 1.969 197 HA CYS 23 HA CYS 23 243.646 -5.291 1.679 198 HB2 CYS 23 1HB CYS 23 246.111 -4.963 1.595 199 HB3 CYS 23 2HB CYS 23 246.076 -4.461 3.281 200 H LYS 24 H LYS 24 241.732 -5.195 2.800 201 HA LYS 24 HA LYS 24 241.255 -4.010 5.272 202 HB2 LYS 24 1HB LYS 24 239.453 -4.680 3.810 203 HB3 LYS 24 2HB LYS 24 239.921 -6.368 3.935 204 HG2 LYS 24 1HG LYS 24 237.976 -5.998 5.275 205 HG3 LYS 24 2HG LYS 24 239.348 -6.306 6.338 206 HD2 LYS 24 1HD LYS 24 239.575 -3.912 6.754 207 HD3 LYS 24 2HD LYS 24 238.222 -3.588 5.666 208 HE2 LYS 24 1HE LYS 24 236.745 -4.885 7.121 209 HE3 LYS 24 2HE LYS 24 238.095 -5.216 8.203 210 HZ1 LYS 24 1HZ LYS 24 236.956 -2.543 7.604 211 HZ2 LYS 24 2HZ LYS 24 238.280 -2.833 8.614 212 HZ3 LYS 24 3HZ LYS 24 236.751 -3.415 9.038 213 H LYS 25 H LYS 25 242.666 -7.080 4.475 214 HA LYS 25 HA LYS 25 242.395 -8.500 6.826 215 HB2 LYS 25 1HB LYS 25 243.377 -9.363 4.720 216 HB3 LYS 25 2HB LYS 25 244.824 -8.416 5.029 217 HG2 LYS 25 1HG LYS 25 245.287 -10.645 5.671 218 HG3 LYS 25 2HG LYS 25 245.111 -9.707 7.153 219 HD2 LYS 25 1HD LYS 25 242.853 -10.545 7.446 220 HD3 LYS 25 2HD LYS 25 242.956 -11.420 5.916 221 HE2 LYS 25 1HE LYS 25 244.845 -12.727 6.845 222 HE3 LYS 25 2HE LYS 25 244.612 -11.908 8.388 223 HZ1 LYS 25 1HZ LYS 25 242.577 -13.580 7.022 224 HZ2 LYS 25 2HZ LYS 25 242.409 -12.841 8.531 225 HZ3 LYS 25 3HZ LYS 25 243.537 -14.082 8.321 226 H CYS 26 H CYS 26 244.756 -5.955 6.054 227 HA CYS 26 HA CYS 26 245.554 -6.010 8.890 228 HB2 CYS 26 1HB CYS 26 247.839 -5.418 8.233 229 HB3 CYS 26 2HB CYS 26 247.346 -6.948 7.512 230 H LYS 27 H LYS 27 243.991 -4.260 6.638 231 HA LYS 27 HA LYS 27 243.184 -2.149 6.582 232 HB2 LYS 27 1HB LYS 27 244.519 -1.925 9.278 233 HB3 LYS 27 2HB LYS 27 243.458 -0.702 8.593 234 HG2 LYS 27 1HG LYS 27 241.612 -2.289 8.572 235 HG3 LYS 27 2HG LYS 27 242.673 -3.543 9.215 236 HD2 LYS 27 1HD LYS 27 242.048 -0.942 10.606 237 HD3 LYS 27 2HD LYS 27 241.242 -2.475 10.937 238 HE2 LYS 27 1HE LYS 27 244.200 -1.957 11.236 239 HE3 LYS 27 2HE LYS 27 243.034 -1.977 12.555 240 HZ1 LYS 27 1HZ LYS 27 244.266 -4.076 12.307 241 HZ2 LYS 27 2HZ LYS 27 243.584 -4.289 10.777 242 HZ3 LYS 27 3HZ LYS 27 242.596 -4.282 12.147 243 H LYS 28 H LYS 28 245.689 -2.707 5.318 244 HA LYS 28 HA LYS 28 246.917 -0.032 5.469 245 HB2 LYS 28 1HB LYS 28 248.200 -2.615 4.544 246 HB3 LYS 28 2HB LYS 28 248.974 -1.036 4.557 247 HG2 LYS 28 1HG LYS 28 247.955 -2.460 7.008 248 HG3 LYS 28 2HG LYS 28 249.631 -2.473 6.455 249 HD2 LYS 28 1HD LYS 28 249.860 -0.137 6.828 250 HD3 LYS 28 2HD LYS 28 248.126 0.063 7.068 251 HE2 LYS 28 1HE LYS 28 249.919 -1.564 8.860 252 HE3 LYS 28 2HE LYS 28 249.445 0.104 9.173 253 HZ1 LYS 28 1HZ LYS 28 248.049 -1.483 10.365 254 HZ2 LYS 28 2HZ LYS 28 247.567 -2.185 8.907 255 HZ3 LYS 28 3HZ LYS 28 247.146 -0.586 9.256 256 H VAL 29 H VAL 29 247.086 1.150 3.627 257 HA VAL 29 HA VAL 29 245.314 0.271 1.504 258 HB VAL 29 HB VAL 29 245.399 2.602 0.716 259 HG11 VAL 29 1HG1 VAL 29 244.802 2.284 3.655 260 HG12 VAL 29 2HG1 VAL 29 243.702 1.945 2.320 261 HG13 VAL 29 3HG1 VAL 29 244.226 3.600 2.631 262 HG21 VAL 29 1HG2 VAL 29 247.669 3.164 1.406 263 HG22 VAL 29 2HG2 VAL 29 247.190 3.062 3.100 264 HG23 VAL 29 3HG2 VAL 29 246.508 4.317 2.064 265 H ILE 30 H ILE 30 245.835 0.149 -0.650 266 HA ILE 30 HA ILE 30 248.671 0.358 -1.362 267 HB ILE 30 HB ILE 30 248.512 -1.856 -2.544 268 HG12 ILE 30 1HG1 ILE 30 245.997 -2.081 -0.874 269 HG13 ILE 30 2HG1 ILE 30 246.110 -2.142 -2.627 270 HG21 ILE 30 1HG2 ILE 30 248.951 -3.182 -0.533 271 HG22 ILE 30 2HG2 ILE 30 248.254 -1.900 0.460 272 HG23 ILE 30 3HG2 ILE 30 249.731 -1.601 -0.456 273 HD11 ILE 30 1HD1 ILE 30 247.418 -4.233 -2.412 274 HD12 ILE 30 2HD1 ILE 30 245.774 -4.353 -1.785 275 HD13 ILE 30 3HD1 ILE 30 247.134 -4.184 -0.673 276 H CYS 31 H CYS 31 249.060 0.626 -3.583 277 HA CYS 31 HA CYS 31 246.862 1.786 -5.045 278 HB2 CYS 31 1HB CYS 31 248.502 2.428 -6.698 279 HB3 CYS 31 2HB CYS 31 249.183 2.753 -5.109 280 H ARG 32 H ARG 32 246.514 1.081 -7.402 281 HA ARG 32 HA ARG 32 245.615 -1.568 -7.298 282 HB2 ARG 32 1HB ARG 32 246.052 0.119 -9.761 283 HB3 ARG 32 2HB ARG 32 245.083 -1.343 -9.678 284 HG2 ARG 32 1HG ARG 32 244.537 1.291 -8.339 285 HG3 ARG 32 2HG ARG 32 243.614 0.525 -9.631 286 HD2 ARG 32 1HD ARG 32 243.898 -0.455 -6.789 287 HD3 ARG 32 2HD ARG 32 242.463 0.265 -7.513 288 HE ARG 32 HE ARG 32 243.399 -2.117 -8.850 289 HH11 ARG 32 1HH1 ARG 32 241.357 -0.832 -6.309 290 HH12 ARG 32 2HH1 ARG 32 240.328 -2.226 -6.260 291 HH21 ARG 32 1HH2 ARG 32 242.048 -3.958 -8.778 292 HH22 ARG 32 2HH2 ARG 32 240.720 -4.002 -7.663 293 H GLU 33 H GLU 33 248.565 -0.198 -8.614 294 HA GLU 33 HA GLU 33 249.429 -2.550 -9.962 295 HB2 GLU 33 1HB GLU 33 250.235 -0.199 -10.398 296 HB3 GLU 33 2HB GLU 33 251.162 -0.312 -8.910 297 HG2 GLU 33 1HG GLU 33 252.570 -0.750 -10.819 298 HG3 GLU 33 2HG GLU 33 252.407 -2.203 -9.835 299 H HIS 34 H HIS 34 249.478 -1.533 -6.665 300 HA HIS 34 HA HIS 34 251.312 -3.735 -5.987 301 HB2 HIS 34 1HB HIS 34 250.565 -1.213 -4.530 302 HB3 HIS 34 2HB HIS 34 251.207 -2.595 -3.651 303 HD2 HIS 34 HD2 HIS 34 253.476 -3.303 -6.042 304 HE1 HIS 34 HE1 HIS 34 254.987 0.444 -4.780 305 HE2 HIS 34 HE2 HIS 34 255.483 -1.659 -6.116 306 H ASN 35 H ASN 35 248.344 -3.651 -6.673 307 HA ASN 35 HA ASN 35 247.341 -4.917 -4.219 308 HB2 ASN 35 1HB ASN 35 246.064 -2.934 -4.664 309 HB3 ASN 35 2HB ASN 35 245.855 -3.385 -6.350 310 HD21 ASN 35 1HD2 ASN 35 244.240 -4.795 -6.915 311 HD22 ASN 35 2HD2 ASN 35 243.063 -5.380 -5.790 312 H ILE 36 H ILE 36 247.229 -7.001 -4.344 313 HA ILE 36 HA ILE 36 246.275 -8.244 -6.837 314 HB ILE 36 HB ILE 36 247.116 -10.388 -5.869 315 HG12 ILE 36 1HG1 ILE 36 248.335 -8.570 -3.776 316 HG13 ILE 36 2HG1 ILE 36 247.075 -9.765 -3.499 317 HG21 ILE 36 1HG2 ILE 36 248.462 -9.184 -7.480 318 HG22 ILE 36 2HG2 ILE 36 249.500 -9.936 -6.269 319 HG23 ILE 36 3HG2 ILE 36 249.168 -8.206 -6.194 320 HD11 ILE 36 1HD1 ILE 36 248.630 -11.547 -4.069 321 HD12 ILE 36 2HD1 ILE 36 249.243 -10.556 -2.745 322 HD13 ILE 36 3HD1 ILE 36 249.892 -10.353 -4.374 323 H ASP 37 H ASP 37 244.545 -6.837 -5.247 324 HA ASP 37 HA ASP 37 242.711 -6.833 -3.911 325 HB2 ASP 37 1HB ASP 37 242.628 -9.754 -4.708 326 HB3 ASP 37 2HB ASP 37 241.336 -8.926 -3.843 327 H MET 38 H MET 38 245.206 -7.118 -2.749 328 HA MET 38 HA MET 38 244.846 -7.797 -0.105 329 HB2 MET 38 1HB MET 38 244.484 -10.118 -0.934 330 HB3 MET 38 2HB MET 38 246.053 -10.074 -1.719 331 HG2 MET 38 1HG MET 38 246.163 -11.338 0.332 332 HG3 MET 38 2HG MET 38 247.139 -9.877 0.458 333 HE1 MET 38 1HE MET 38 243.192 -10.204 0.750 334 HE2 MET 38 2HE MET 38 243.037 -10.468 2.487 335 HE3 MET 38 3HE MET 38 243.837 -11.673 1.479 336 H CYS 39 H CYS 39 246.853 -7.452 1.054 337 HA CYS 39 HA CYS 39 248.948 -6.341 -0.634 338 HB2 CYS 39 1HB CYS 39 249.778 -5.247 1.218 339 HB3 CYS 39 2HB CYS 39 248.090 -5.395 1.688 340 H GLN 40 H GLN 40 251.140 -6.997 -0.400 341 HA GLN 40 HA GLN 40 251.371 -9.730 -0.959 342 HB2 GLN 40 1HB GLN 40 252.750 -7.873 -1.895 343 HB3 GLN 40 2HB GLN 40 253.577 -7.766 -0.351 344 HG2 GLN 40 1HG GLN 40 254.499 -9.947 -0.618 345 HG3 GLN 40 2HG GLN 40 253.533 -10.228 -2.066 346 HE21 GLN 40 1HE2 GLN 40 254.082 -9.185 -3.983 347 HE22 GLN 40 2HE2 GLN 40 255.640 -8.472 -4.218 348 H SER 41 H SER 41 251.537 -8.073 2.037 349 HA SER 41 HA SER 41 253.206 -10.060 3.318 350 HB2 SER 41 1HB SER 41 253.384 -7.727 4.020 351 HB3 SER 41 2HB SER 41 251.683 -7.719 4.476 352 HG SER 41 HG SER 41 252.750 -9.758 5.732 353 H CYS 42 H CYS 42 249.845 -9.651 2.706 354 HA CYS 42 HA CYS 42 249.189 -11.528 4.868 355 HB2 CYS 42 1HB CYS 42 247.385 -9.816 3.156 356 HB3 CYS 42 2HB CYS 42 246.807 -10.986 4.334 357 H PHE 43 H PHE 43 249.646 -11.380 1.488 358 HA PHE 43 HA PHE 43 247.954 -13.673 0.943 359 HB2 PHE 43 1HB PHE 43 248.207 -11.741 -0.662 360 HB3 PHE 43 2HB PHE 43 249.856 -12.282 -0.950 361 HD1 PHE 43 HD1 PHE 43 246.326 -13.419 -1.105 362 HD2 PHE 43 HD2 PHE 43 250.291 -13.884 -2.579 363 HE1 PHE 43 HE1 PHE 43 245.500 -14.968 -2.828 364 HE2 PHE 43 HE2 PHE 43 249.473 -15.438 -4.301 365 HZ PHE 43 HZ PHE 43 247.074 -15.982 -4.427 Start of MODEL 13 1 H1 VAL 1 1H VAL 1 241.678 12.923 12.138 2 H2 VAL 1 2H VAL 1 243.123 12.050 12.118 3 H3 VAL 1 3H VAL 1 242.181 12.152 10.720 4 HA VAL 1 HA VAL 1 242.571 14.513 10.575 5 HB VAL 1 HB VAL 1 244.446 14.103 12.916 6 HG11 VAL 1 1HG1 VAL 1 243.713 16.597 11.381 7 HG12 VAL 1 2HG1 VAL 1 245.260 15.751 11.316 8 HG13 VAL 1 3HG1 VAL 1 244.745 16.535 12.810 9 HG21 VAL 1 1HG2 VAL 1 241.818 15.582 12.790 10 HG22 VAL 1 2HG2 VAL 1 242.925 15.571 14.163 11 HG23 VAL 1 3HG2 VAL 1 242.129 14.080 13.660 12 H MET 2 H MET 2 245.426 12.818 11.885 13 HA MET 2 HA MET 2 246.631 13.015 9.221 14 HB2 MET 2 1HB MET 2 248.777 12.715 10.293 15 HB3 MET 2 2HB MET 2 247.897 13.976 11.142 16 HG2 MET 2 1HG MET 2 248.101 11.116 12.056 17 HG3 MET 2 2HG MET 2 249.126 12.430 12.625 18 HE1 MET 2 1HE MET 2 246.709 11.559 15.633 19 HE2 MET 2 2HE MET 2 248.391 11.658 15.117 20 HE3 MET 2 3HE MET 2 247.327 10.435 14.423 21 H LYS 3 H LYS 3 247.253 11.221 8.093 22 HA LYS 3 HA LYS 3 247.264 8.624 9.298 23 HB2 LYS 3 1HB LYS 3 245.479 7.631 7.987 24 HB3 LYS 3 2HB LYS 3 244.844 8.936 8.975 25 HG2 LYS 3 1HG LYS 3 245.560 9.314 6.082 26 HG3 LYS 3 2HG LYS 3 243.974 8.747 6.600 27 HD2 LYS 3 1HD LYS 3 243.691 10.793 7.928 28 HD3 LYS 3 2HD LYS 3 245.270 11.357 7.386 29 HE2 LYS 3 1HE LYS 3 242.907 10.780 5.601 30 HE3 LYS 3 2HE LYS 3 243.429 12.382 6.118 31 HZ1 LYS 3 1HZ LYS 3 244.998 10.485 4.449 32 HZ2 LYS 3 2HZ LYS 3 245.542 11.997 4.976 33 HZ3 LYS 3 3HZ LYS 3 244.236 11.897 3.910 34 H LYS 4 H LYS 4 248.711 7.414 8.315 35 HA LYS 4 HA LYS 4 249.771 8.219 5.737 36 HB2 LYS 4 1HB LYS 4 250.563 5.957 7.582 37 HB3 LYS 4 2HB LYS 4 251.422 6.414 6.118 38 HG2 LYS 4 1HG LYS 4 251.052 8.158 8.545 39 HG3 LYS 4 2HG LYS 4 252.516 7.264 8.133 40 HD2 LYS 4 1HD LYS 4 252.754 8.559 6.087 41 HD3 LYS 4 2HD LYS 4 251.253 9.417 6.436 42 HE2 LYS 4 1HE LYS 4 253.235 10.742 7.018 43 HE3 LYS 4 2HE LYS 4 252.235 10.389 8.426 44 HZ1 LYS 4 1HZ LYS 4 254.696 8.915 7.667 45 HZ2 LYS 4 2HZ LYS 4 253.759 8.643 9.048 46 HZ3 LYS 4 3HZ LYS 4 254.600 10.097 8.870 47 H ARG 5 H ARG 5 247.379 6.246 6.939 48 HA ARG 5 HA ARG 5 247.454 4.187 4.943 49 HB2 ARG 5 1HB ARG 5 245.421 4.968 7.019 50 HB3 ARG 5 2HB ARG 5 245.145 3.664 5.873 51 HG2 ARG 5 1HG ARG 5 247.010 2.434 6.727 52 HG3 ARG 5 2HG ARG 5 247.484 3.782 7.761 53 HD2 ARG 5 1HD ARG 5 246.329 2.057 9.035 54 HD3 ARG 5 2HD ARG 5 245.408 3.557 9.015 55 HE ARG 5 HE ARG 5 244.381 2.127 6.938 56 HH11 ARG 5 1HH1 ARG 5 244.897 1.442 10.325 57 HH12 ARG 5 2HH1 ARG 5 243.487 0.446 10.471 58 HH21 ARG 5 1HH2 ARG 5 242.531 0.808 7.118 59 HH22 ARG 5 2HH2 ARG 5 242.134 0.086 8.646 60 H THR 6 H THR 6 247.451 6.828 3.908 61 HA THR 6 HA THR 6 245.026 6.660 2.245 62 HB THR 6 HB THR 6 246.720 9.109 2.809 63 HG1 THR 6 HG1 THR 6 244.200 8.221 3.787 64 HG21 THR 6 1HG2 THR 6 244.970 10.340 1.618 65 HG22 THR 6 2HG2 THR 6 244.137 8.826 1.266 66 HG23 THR 6 3HG2 THR 6 245.726 9.142 0.569 67 H TYR 7 H TYR 7 248.389 6.488 2.499 68 HA TYR 7 HA TYR 7 248.725 6.591 -0.414 69 HB2 TYR 7 1HB TYR 7 250.668 7.282 1.794 70 HB3 TYR 7 2HB TYR 7 251.137 7.105 0.105 71 HD1 TYR 7 HD1 TYR 7 250.024 9.385 2.567 72 HD2 TYR 7 HD2 TYR 7 249.785 8.539 -1.592 73 HE1 TYR 7 HE1 TYR 7 249.402 11.724 2.131 74 HE2 TYR 7 HE2 TYR 7 249.174 10.865 -2.038 75 HH TYR 7 HH TYR 7 249.439 13.334 0.309 76 H CYS 8 H CYS 8 249.705 4.948 -1.404 77 HA CYS 8 HA CYS 8 249.396 2.390 -0.417 78 HB2 CYS 8 1HB CYS 8 249.521 2.785 -2.763 79 HB3 CYS 8 2HB CYS 8 251.137 3.457 -2.631 80 H THR 9 H THR 9 250.391 1.304 1.074 81 HA THR 9 HA THR 9 252.774 2.112 2.340 82 HB THR 9 HB THR 9 251.404 -0.585 2.405 83 HG1 THR 9 HG1 THR 9 250.874 1.895 3.608 84 HG21 THR 9 1HG2 THR 9 253.253 0.734 4.396 85 HG22 THR 9 2HG2 THR 9 253.642 -0.655 3.382 86 HG23 THR 9 3HG2 THR 9 252.407 -0.795 4.634 87 H TYR 10 H TYR 10 252.126 0.035 -0.367 88 HA TYR 10 HA TYR 10 254.700 -1.242 -0.334 89 HB2 TYR 10 1HB TYR 10 252.352 -1.276 -2.191 90 HB3 TYR 10 2HB TYR 10 253.906 -1.895 -2.746 91 HD1 TYR 10 HD1 TYR 10 253.721 -4.195 -2.826 92 HD2 TYR 10 HD2 TYR 10 252.235 -2.139 0.584 93 HE1 TYR 10 HE1 TYR 10 253.305 -6.348 -1.714 94 HE2 TYR 10 HE2 TYR 10 251.808 -4.280 1.703 95 HH TYR 10 HH TYR 10 251.586 -6.546 1.325 96 H CYS 11 H CYS 11 253.357 1.644 -1.657 97 HA CYS 11 HA CYS 11 255.558 2.123 -3.469 98 HB2 CYS 11 1HB CYS 11 253.162 3.697 -2.582 99 HB3 CYS 11 2HB CYS 11 254.491 4.520 -3.385 100 HA PRO 12 HA PRO 12 258.404 3.783 -0.504 101 HB2 PRO 12 1HB PRO 12 259.075 5.807 -2.561 102 HB3 PRO 12 2HB PRO 12 260.125 4.649 -1.745 103 HG2 PRO 12 1HG PRO 12 259.409 4.314 -4.302 104 HG3 PRO 12 2HG PRO 12 259.597 2.935 -3.203 105 HD2 PRO 12 1HD PRO 12 257.105 4.251 -4.190 106 HD3 PRO 12 2HD PRO 12 257.431 2.533 -3.879 107 H SER 13 H SER 13 258.248 5.267 1.067 108 HA SER 13 HA SER 13 255.891 6.723 1.314 109 HB2 SER 13 1HB SER 13 258.410 7.195 2.907 110 HB3 SER 13 2HB SER 13 256.745 7.465 3.421 111 HG SER 13 HG SER 13 256.480 5.120 3.055 112 H LYS 14 H LYS 14 258.987 7.739 0.034 113 HA LYS 14 HA LYS 14 258.375 10.539 0.292 114 HB2 LYS 14 1HB LYS 14 260.435 10.958 -0.875 115 HB3 LYS 14 2HB LYS 14 260.703 9.703 0.323 116 HG2 LYS 14 1HG LYS 14 260.580 8.008 -1.446 117 HG3 LYS 14 2HG LYS 14 260.354 9.290 -2.638 118 HD2 LYS 14 1HD LYS 14 262.518 10.251 -2.001 119 HD3 LYS 14 2HD LYS 14 262.744 8.953 -0.829 120 HE2 LYS 14 1HE LYS 14 263.988 8.469 -2.848 121 HE3 LYS 14 2HE LYS 14 262.670 7.313 -2.661 122 HZ1 LYS 14 1HZ LYS 14 262.835 8.079 -4.934 123 HZ2 LYS 14 2HZ LYS 14 262.656 9.688 -4.446 124 HZ3 LYS 14 3HZ LYS 14 261.379 8.599 -4.256 125 H ILE 15 H ILE 15 257.449 8.117 -1.856 126 HA ILE 15 HA ILE 15 257.133 9.865 -4.156 127 HB ILE 15 HB ILE 15 256.234 7.007 -3.740 128 HG12 ILE 15 1HG1 ILE 15 258.688 7.305 -3.683 129 HG13 ILE 15 2HG1 ILE 15 258.163 6.386 -5.090 130 HG21 ILE 15 1HG2 ILE 15 254.935 8.247 -5.443 131 HG22 ILE 15 2HG2 ILE 15 255.869 6.910 -6.113 132 HG23 ILE 15 3HG2 ILE 15 256.438 8.568 -6.308 133 HD11 ILE 15 1HD1 ILE 15 258.388 8.401 -6.464 134 HD12 ILE 15 2HD1 ILE 15 259.904 7.951 -5.683 135 HD13 ILE 15 3HD1 ILE 15 258.947 9.290 -5.048 136 H ARG 16 H ARG 16 255.141 8.274 -1.721 137 HA ARG 16 HA ARG 16 252.981 8.531 -1.068 138 HB2 ARG 16 1HB ARG 16 253.648 11.329 -1.952 139 HB3 ARG 16 2HB ARG 16 252.112 10.921 -1.201 140 HG2 ARG 16 1HG ARG 16 253.320 10.101 0.777 141 HG3 ARG 16 2HG ARG 16 254.842 10.584 0.024 142 HD2 ARG 16 1HD ARG 16 252.549 12.435 0.657 143 HD3 ARG 16 2HD ARG 16 253.999 12.246 1.643 144 HE ARG 16 HE ARG 16 254.925 12.877 -0.853 145 HH11 ARG 16 1HH1 ARG 16 252.740 14.372 1.433 146 HH12 ARG 16 2HH1 ARG 16 253.135 15.989 0.948 147 HH21 ARG 16 1HH2 ARG 16 255.441 14.998 -1.508 148 HH22 ARG 16 2HH2 ARG 16 254.660 16.344 -0.743 149 H ARG 17 H ARG 17 252.418 7.085 -2.895 150 HA ARG 17 HA ARG 17 250.714 8.431 -4.865 151 HB2 ARG 17 1HB ARG 17 251.603 5.545 -4.639 152 HB3 ARG 17 2HB ARG 17 250.457 6.124 -5.840 153 HG2 ARG 17 1HG ARG 17 252.209 7.668 -6.687 154 HG3 ARG 17 2HG ARG 17 253.344 6.920 -5.562 155 HD2 ARG 17 1HD ARG 17 253.551 5.960 -7.801 156 HD3 ARG 17 2HD ARG 17 253.002 4.755 -6.636 157 HE ARG 17 HE ARG 17 250.719 5.819 -7.752 158 HH11 ARG 17 1HH1 ARG 17 253.545 4.118 -8.926 159 HH12 ARG 17 2HH1 ARG 17 252.701 3.373 -10.244 160 HH21 ARG 17 1HH2 ARG 17 249.612 4.851 -9.469 161 HH22 ARG 17 2HH2 ARG 17 250.450 3.789 -10.567 162 H LYS 18 H LYS 18 248.530 8.340 -4.726 163 HA LYS 18 HA LYS 18 247.391 7.735 -2.213 164 HB2 LYS 18 1HB LYS 18 246.120 8.361 -4.879 165 HB3 LYS 18 2HB LYS 18 245.183 8.083 -3.422 166 HG2 LYS 18 1HG LYS 18 245.314 10.395 -3.567 167 HG3 LYS 18 2HG LYS 18 246.572 9.986 -2.401 168 HD2 LYS 18 1HD LYS 18 248.287 10.326 -3.989 169 HD3 LYS 18 2HD LYS 18 247.144 10.344 -5.332 170 HE2 LYS 18 1HE LYS 18 247.867 12.595 -4.882 171 HE3 LYS 18 2HE LYS 18 246.174 12.429 -4.433 172 HZ1 LYS 18 1HZ LYS 18 247.357 13.669 -2.768 173 HZ2 LYS 18 2HZ LYS 18 248.490 12.433 -2.575 174 HZ3 LYS 18 3HZ LYS 18 246.882 12.185 -2.113 175 H ALA 19 H ALA 19 246.566 5.925 -1.435 176 HA ALA 19 HA ALA 19 246.554 3.557 -3.132 177 HB1 ALA 19 1HB ALA 19 246.357 2.309 -1.067 178 HB2 ALA 19 2HB ALA 19 246.123 3.805 -0.161 179 HB3 ALA 19 3HB ALA 19 247.668 3.481 -0.945 180 H ASN 20 H ASN 20 244.737 3.015 -4.146 181 HA ASN 20 HA ASN 20 242.165 3.739 -2.923 182 HB2 ASN 20 1HB ASN 20 242.874 3.030 -5.778 183 HB3 ASN 20 2HB ASN 20 241.219 3.216 -5.208 184 HD21 ASN 20 1HD2 ASN 20 244.216 4.853 -5.882 185 HD22 ASN 20 2HD2 ASN 20 243.569 6.457 -5.879 186 H ALA 21 H ALA 21 243.926 1.507 -2.194 187 HA ALA 21 HA ALA 21 241.862 -0.525 -2.140 188 HB1 ALA 21 1HB ALA 21 243.518 -2.304 -2.752 189 HB2 ALA 21 2HB ALA 21 244.606 -1.019 -3.279 190 HB3 ALA 21 3HB ALA 21 243.054 -1.243 -4.079 191 H SER 22 H SER 22 242.232 -2.086 -0.466 192 HA SER 22 HA SER 22 244.395 -1.527 1.384 193 HB2 SER 22 1HB SER 22 242.648 -1.483 3.281 194 HB3 SER 22 2HB SER 22 242.845 -0.027 2.308 195 HG SER 22 HG SER 22 241.033 -0.836 1.031 196 H CYS 23 H CYS 23 245.175 -3.327 2.201 197 HA CYS 23 HA CYS 23 243.982 -5.848 1.547 198 HB2 CYS 23 1HB CYS 23 246.412 -5.498 1.554 199 HB3 CYS 23 2HB CYS 23 246.360 -5.163 3.279 200 H LYS 24 H LYS 24 242.420 -6.766 2.666 201 HA LYS 24 HA LYS 24 241.346 -5.489 4.938 202 HB2 LYS 24 1HB LYS 24 240.678 -8.153 3.694 203 HB3 LYS 24 2HB LYS 24 239.716 -7.361 4.931 204 HG2 LYS 24 1HG LYS 24 239.337 -5.470 3.429 205 HG3 LYS 24 2HG LYS 24 240.289 -6.278 2.182 206 HD2 LYS 24 1HD LYS 24 238.693 -8.137 2.177 207 HD3 LYS 24 2HD LYS 24 237.740 -7.317 3.416 208 HE2 LYS 24 1HE LYS 24 237.394 -5.434 1.876 209 HE3 LYS 24 2HE LYS 24 238.311 -6.290 0.639 210 HZ1 LYS 24 1HZ LYS 24 235.775 -7.225 1.861 211 HZ2 LYS 24 2HZ LYS 24 236.650 -8.039 0.667 212 HZ3 LYS 24 3HZ LYS 24 235.935 -6.548 0.321 213 H LYS 25 H LYS 25 243.606 -8.115 4.659 214 HA LYS 25 HA LYS 25 242.954 -9.238 7.216 215 HB2 LYS 25 1HB LYS 25 244.121 -10.379 5.151 216 HB3 LYS 25 2HB LYS 25 245.588 -9.778 5.917 217 HG2 LYS 25 1HG LYS 25 244.750 -10.899 8.041 218 HG3 LYS 25 2HG LYS 25 243.573 -11.713 7.015 219 HD2 LYS 25 1HD LYS 25 245.313 -13.245 7.152 220 HD3 LYS 25 2HD LYS 25 245.618 -12.430 5.617 221 HE2 LYS 25 1HE LYS 25 247.340 -11.095 6.573 222 HE3 LYS 25 2HE LYS 25 246.909 -11.596 8.206 223 HZ1 LYS 25 1HZ LYS 25 248.902 -12.715 7.323 224 HZ2 LYS 25 2HZ LYS 25 247.951 -13.430 6.124 225 HZ3 LYS 25 3HZ LYS 25 247.675 -13.799 7.749 226 H CYS 26 H CYS 26 245.418 -6.981 6.026 227 HA CYS 26 HA CYS 26 246.465 -6.870 8.774 228 HB2 CYS 26 1HB CYS 26 248.605 -6.164 7.846 229 HB3 CYS 26 2HB CYS 26 248.099 -7.694 7.140 230 H LYS 27 H LYS 27 244.705 -5.128 6.524 231 HA LYS 27 HA LYS 27 243.833 -3.046 6.526 232 HB2 LYS 27 1HB LYS 27 245.073 -2.948 9.273 233 HB3 LYS 27 2HB LYS 27 244.110 -1.637 8.610 234 HG2 LYS 27 1HG LYS 27 243.119 -4.457 8.959 235 HG3 LYS 27 2HG LYS 27 242.861 -3.156 10.123 236 HD2 LYS 27 1HD LYS 27 241.719 -1.859 8.344 237 HD3 LYS 27 2HD LYS 27 241.891 -3.246 7.267 238 HE2 LYS 27 1HE LYS 27 239.667 -3.142 8.303 239 HE3 LYS 27 2HE LYS 27 240.542 -4.605 8.749 240 HZ1 LYS 27 1HZ LYS 27 239.445 -3.626 10.658 241 HZ2 LYS 27 2HZ LYS 27 240.269 -2.169 10.427 242 HZ3 LYS 27 3HZ LYS 27 241.122 -3.565 10.856 243 H LYS 28 H LYS 28 246.471 -3.562 5.417 244 HA LYS 28 HA LYS 28 247.628 -0.871 5.609 245 HB2 LYS 28 1HB LYS 28 248.797 -3.337 4.298 246 HB3 LYS 28 2HB LYS 28 249.596 -1.781 4.478 247 HG2 LYS 28 1HG LYS 28 248.793 -3.639 6.707 248 HG3 LYS 28 2HG LYS 28 250.428 -3.357 6.110 249 HD2 LYS 28 1HD LYS 28 250.278 -1.016 6.806 250 HD3 LYS 28 2HD LYS 28 248.639 -1.296 7.397 251 HE2 LYS 28 1HE LYS 28 250.229 -1.344 9.233 252 HE3 LYS 28 2HE LYS 28 249.498 -2.931 9.002 253 HZ1 LYS 28 1HZ LYS 28 252.179 -2.104 8.035 254 HZ2 LYS 28 2HZ LYS 28 251.483 -3.627 7.810 255 HZ3 LYS 28 3HZ LYS 28 251.875 -3.099 9.368 256 H VAL 29 H VAL 29 247.731 0.447 3.846 257 HA VAL 29 HA VAL 29 245.806 -0.210 1.772 258 HB VAL 29 HB VAL 29 245.987 2.175 1.134 259 HG11 VAL 29 1HG1 VAL 29 244.282 1.475 2.698 260 HG12 VAL 29 2HG1 VAL 29 244.895 3.064 3.154 261 HG13 VAL 29 3HG1 VAL 29 245.414 1.630 4.042 262 HG21 VAL 29 1HG2 VAL 29 248.291 2.573 1.836 263 HG22 VAL 29 2HG2 VAL 29 247.816 2.375 3.521 264 HG23 VAL 29 3HG2 VAL 29 247.188 3.728 2.582 265 H ILE 30 H ILE 30 246.194 -0.103 -0.415 266 HA ILE 30 HA ILE 30 248.992 -0.035 -1.295 267 HB ILE 30 HB ILE 30 248.473 -2.115 -2.694 268 HG12 ILE 30 1HG1 ILE 30 246.303 -2.374 -0.596 269 HG13 ILE 30 2HG1 ILE 30 246.045 -2.119 -2.315 270 HG21 ILE 30 1HG2 ILE 30 248.699 -2.402 0.302 271 HG22 ILE 30 2HG2 ILE 30 250.034 -2.118 -0.816 272 HG23 ILE 30 3HG2 ILE 30 249.129 -3.631 -0.889 273 HD11 ILE 30 1HD1 ILE 30 247.381 -4.536 -1.136 274 HD12 ILE 30 2HD1 ILE 30 246.920 -4.286 -2.820 275 HD13 ILE 30 3HD1 ILE 30 245.677 -4.441 -1.580 276 H CYS 31 H CYS 31 249.241 0.299 -3.570 277 HA CYS 31 HA CYS 31 246.972 1.665 -4.777 278 HB2 CYS 31 1HB CYS 31 248.517 2.562 -6.377 279 HB3 CYS 31 2HB CYS 31 249.295 2.673 -4.804 280 H ARG 32 H ARG 32 246.291 1.181 -6.933 281 HA ARG 32 HA ARG 32 245.690 -1.577 -7.122 282 HB2 ARG 32 1HB ARG 32 245.208 0.581 -9.181 283 HB3 ARG 32 2HB ARG 32 244.419 -0.986 -9.117 284 HG2 ARG 32 1HG ARG 32 244.139 1.257 -7.132 285 HG3 ARG 32 2HG ARG 32 242.933 0.710 -8.292 286 HD2 ARG 32 1HD ARG 32 243.997 -0.791 -5.908 287 HD3 ARG 32 2HD ARG 32 242.367 -0.163 -6.133 288 HE ARG 32 HE ARG 32 243.153 -2.069 -8.142 289 HH11 ARG 32 1HH1 ARG 32 241.655 -1.611 -5.016 290 HH12 ARG 32 2HH1 ARG 32 240.961 -3.203 -4.965 291 HH21 ARG 32 1HH2 ARG 32 242.219 -4.150 -8.097 292 HH22 ARG 32 2HH2 ARG 32 241.291 -4.654 -6.713 293 H GLU 33 H GLU 33 248.199 0.352 -8.474 294 HA GLU 33 HA GLU 33 248.766 -1.542 -10.589 295 HB2 GLU 33 1HB GLU 33 250.164 0.970 -9.694 296 HB3 GLU 33 2HB GLU 33 250.798 -0.077 -10.954 297 HG2 GLU 33 1HG GLU 33 248.543 0.247 -12.105 298 HG3 GLU 33 2HG GLU 33 248.309 1.583 -10.978 299 H HIS 34 H HIS 34 249.394 -1.390 -7.307 300 HA HIS 34 HA HIS 34 251.917 -2.855 -7.594 301 HB2 HIS 34 1HB HIS 34 250.817 -1.144 -5.517 302 HB3 HIS 34 2HB HIS 34 251.361 -2.687 -4.865 303 HD2 HIS 34 HD2 HIS 34 253.943 -2.800 -7.089 304 HE1 HIS 34 HE1 HIS 34 255.196 0.478 -4.728 305 HE2 HIS 34 HE2 HIS 34 255.957 -1.388 -6.272 306 H ASN 35 H ASN 35 248.873 -3.162 -5.766 307 HA ASN 35 HA ASN 35 249.160 -6.082 -5.964 308 HB2 ASN 35 1HB ASN 35 248.882 -4.420 -3.488 309 HB3 ASN 35 2HB ASN 35 248.166 -6.025 -3.527 310 HD21 ASN 35 1HD2 ASN 35 251.102 -5.404 -5.295 311 HD22 ASN 35 2HD2 ASN 35 252.157 -6.252 -4.217 312 H ILE 36 H ILE 36 247.198 -7.254 -5.753 313 HA ILE 36 HA ILE 36 244.918 -5.698 -6.694 314 HB ILE 36 HB ILE 36 245.517 -7.532 -8.110 315 HG12 ILE 36 1HG1 ILE 36 243.414 -8.902 -8.067 316 HG13 ILE 36 2HG1 ILE 36 243.003 -8.124 -6.543 317 HG21 ILE 36 1HG2 ILE 36 245.426 -9.885 -7.325 318 HG22 ILE 36 2HG2 ILE 36 245.287 -9.280 -5.674 319 HG23 ILE 36 3HG2 ILE 36 246.735 -8.939 -6.621 320 HD11 ILE 36 1HD1 ILE 36 242.970 -5.958 -7.660 321 HD12 ILE 36 2HD1 ILE 36 241.842 -7.091 -8.403 322 HD13 ILE 36 3HD1 ILE 36 243.382 -6.738 -9.186 323 H ASP 37 H ASP 37 244.512 -4.822 -4.595 324 HA ASP 37 HA ASP 37 243.083 -4.561 -2.855 325 HB2 ASP 37 1HB ASP 37 242.052 -7.253 -3.733 326 HB3 ASP 37 2HB ASP 37 241.359 -6.349 -2.393 327 H MET 38 H MET 38 244.306 -7.899 -2.848 328 HA MET 38 HA MET 38 244.847 -7.630 0.020 329 HB2 MET 38 1HB MET 38 244.807 -9.997 -1.843 330 HB3 MET 38 2HB MET 38 245.502 -10.097 -0.233 331 HG2 MET 38 1HG MET 38 242.658 -9.333 -0.851 332 HG3 MET 38 2HG MET 38 243.198 -10.931 -0.336 333 HE1 MET 38 1HE MET 38 241.416 -9.861 2.902 334 HE2 MET 38 2HE MET 38 241.612 -11.087 1.651 335 HE3 MET 38 3HE MET 38 240.877 -9.533 1.255 336 H CYS 39 H CYS 39 246.910 -7.695 0.845 337 HA CYS 39 HA CYS 39 248.940 -6.930 -1.081 338 HB2 CYS 39 1HB CYS 39 250.018 -5.845 0.623 339 HB3 CYS 39 2HB CYS 39 248.395 -5.857 1.296 340 H GLN 40 H GLN 40 250.919 -7.900 -1.310 341 HA GLN 40 HA GLN 40 250.868 -10.713 -1.375 342 HB2 GLN 40 1HB GLN 40 253.131 -8.759 -1.775 343 HB3 GLN 40 2HB GLN 40 253.268 -10.485 -2.070 344 HG2 GLN 40 1HG GLN 40 251.561 -10.360 -3.780 345 HG3 GLN 40 2HG GLN 40 251.338 -8.642 -3.457 346 HE21 GLN 40 1HE2 GLN 40 251.857 -8.122 -5.594 347 HE22 GLN 40 2HE2 GLN 40 253.486 -8.179 -6.174 348 H SER 41 H SER 41 251.910 -8.533 1.083 349 HA SER 41 HA SER 41 253.642 -10.284 2.470 350 HB2 SER 41 1HB SER 41 251.892 -8.063 3.557 351 HB3 SER 41 2HB SER 41 253.220 -8.835 4.424 352 HG SER 41 HG SER 41 253.815 -7.808 1.912 353 H CYS 42 H CYS 42 250.211 -10.137 2.121 354 HA CYS 42 HA CYS 42 249.849 -12.125 4.252 355 HB2 CYS 42 1HB CYS 42 247.800 -10.469 2.767 356 HB3 CYS 42 2HB CYS 42 247.417 -11.677 3.986 357 H PHE 43 H PHE 43 248.432 -11.515 1.029 358 HA PHE 43 HA PHE 43 248.347 -14.432 0.662 359 HB2 PHE 43 1HB PHE 43 246.414 -12.333 -0.340 360 HB3 PHE 43 2HB PHE 43 246.344 -14.040 -0.762 361 HD1 PHE 43 HD1 PHE 43 245.843 -15.719 0.996 362 HD2 PHE 43 HD2 PHE 43 245.553 -11.533 1.717 363 HE1 PHE 43 HE1 PHE 43 244.461 -16.159 2.983 364 HE2 PHE 43 HE2 PHE 43 244.170 -11.967 3.704 365 HZ PHE 43 HZ PHE 43 243.623 -14.283 4.339 Start of MODEL 14 1 H1 VAL 1 1H VAL 1 248.597 15.858 9.598 2 H2 VAL 1 2H VAL 1 247.360 16.408 8.584 3 H3 VAL 1 3H VAL 1 248.051 14.892 8.324 4 HA VAL 1 HA VAL 1 247.200 14.070 10.374 5 HB VAL 1 HB VAL 1 247.251 16.070 11.712 6 HG11 VAL 1 1HG1 VAL 1 246.726 17.728 10.023 7 HG12 VAL 1 2HG1 VAL 1 245.669 17.915 11.423 8 HG13 VAL 1 3HG1 VAL 1 245.059 17.154 9.953 9 HG21 VAL 1 1HG2 VAL 1 245.048 15.983 12.794 10 HG22 VAL 1 2HG2 VAL 1 245.668 14.374 12.424 11 HG23 VAL 1 3HG2 VAL 1 244.415 15.090 11.411 12 H MET 2 H MET 2 246.489 12.887 8.540 13 HA MET 2 HA MET 2 243.625 13.039 8.178 14 HB2 MET 2 1HB MET 2 243.685 13.116 5.736 15 HB3 MET 2 2HB MET 2 244.450 14.555 6.396 16 HG2 MET 2 1HG MET 2 246.640 13.641 5.956 17 HG3 MET 2 2HG MET 2 245.929 12.127 5.406 18 HE1 MET 2 1HE MET 2 247.289 12.198 3.165 19 HE2 MET 2 2HE MET 2 248.070 13.684 3.704 20 HE3 MET 2 3HE MET 2 247.354 13.598 2.095 21 H LYS 3 H LYS 3 245.535 11.259 9.364 22 HA LYS 3 HA LYS 3 246.126 9.080 9.509 23 HB2 LYS 3 1HB LYS 3 244.008 8.844 7.395 24 HB3 LYS 3 2HB LYS 3 245.023 7.462 7.779 25 HG2 LYS 3 1HG LYS 3 243.004 7.262 9.020 26 HG3 LYS 3 2HG LYS 3 244.294 7.667 10.150 27 HD2 LYS 3 1HD LYS 3 243.569 9.987 10.175 28 HD3 LYS 3 2HD LYS 3 242.314 9.626 8.989 29 HE2 LYS 3 1HE LYS 3 241.243 8.109 10.572 30 HE3 LYS 3 2HE LYS 3 242.510 8.430 11.753 31 HZ1 LYS 3 1HZ LYS 3 241.815 10.738 11.825 32 HZ2 LYS 3 2HZ LYS 3 240.519 9.721 12.202 33 HZ3 LYS 3 3HZ LYS 3 240.609 10.441 10.675 34 H LYS 4 H LYS 4 248.049 8.387 8.991 35 HA LYS 4 HA LYS 4 249.321 9.284 6.583 36 HB2 LYS 4 1HB LYS 4 250.272 7.532 8.846 37 HB3 LYS 4 2HB LYS 4 251.272 7.920 7.456 38 HG2 LYS 4 1HG LYS 4 251.914 9.420 9.143 39 HG3 LYS 4 2HG LYS 4 250.914 10.354 8.036 40 HD2 LYS 4 1HD LYS 4 250.305 10.922 10.287 41 HD3 LYS 4 2HD LYS 4 248.987 9.999 9.564 42 HE2 LYS 4 1HE LYS 4 249.428 9.286 11.862 43 HE3 LYS 4 2HE LYS 4 249.742 7.989 10.713 44 HZ1 LYS 4 1HZ LYS 4 251.799 9.728 11.964 45 HZ2 LYS 4 2HZ LYS 4 252.105 8.485 10.861 46 HZ3 LYS 4 3HZ LYS 4 251.470 8.123 12.386 47 H ARG 5 H ARG 5 247.514 6.593 7.514 48 HA ARG 5 HA ARG 5 248.596 4.795 5.522 49 HB2 ARG 5 1HB ARG 5 246.118 4.565 7.238 50 HB3 ARG 5 2HB ARG 5 246.744 3.297 6.195 51 HG2 ARG 5 1HG ARG 5 248.144 4.479 8.582 52 HG3 ARG 5 2HG ARG 5 247.345 2.911 8.513 53 HD2 ARG 5 1HD ARG 5 248.935 2.178 6.800 54 HD3 ARG 5 2HD ARG 5 249.728 3.752 6.864 55 HE ARG 5 HE ARG 5 249.609 2.483 9.420 56 HH11 ARG 5 1HH1 ARG 5 251.372 2.541 6.404 57 HH12 ARG 5 2HH1 ARG 5 252.868 2.035 7.120 58 HH21 ARG 5 1HH2 ARG 5 251.561 1.798 10.371 59 HH22 ARG 5 2HH2 ARG 5 252.976 1.605 9.384 60 H THR 6 H THR 6 247.744 7.285 4.524 61 HA THR 6 HA THR 6 245.456 6.533 2.842 62 HB THR 6 HB THR 6 246.839 9.223 3.028 63 HG1 THR 6 HG1 THR 6 245.849 9.296 4.911 64 HG21 THR 6 1HG2 THR 6 245.555 8.871 0.965 65 HG22 THR 6 2HG2 THR 6 244.787 10.076 1.998 66 HG23 THR 6 3HG2 THR 6 244.137 8.439 1.920 67 H TYR 7 H TYR 7 248.713 6.377 2.984 68 HA TYR 7 HA TYR 7 249.060 6.543 0.075 69 HB2 TYR 7 1HB TYR 7 251.081 6.917 2.294 70 HB3 TYR 7 2HB TYR 7 251.489 6.851 0.579 71 HD1 TYR 7 HD1 TYR 7 251.001 8.690 -0.883 72 HD2 TYR 7 HD2 TYR 7 249.846 8.825 3.205 73 HE1 TYR 7 HE1 TYR 7 250.573 11.094 -1.091 74 HE2 TYR 7 HE2 TYR 7 249.407 11.231 3.008 75 HH TYR 7 HH TYR 7 250.129 13.113 1.584 76 H CYS 8 H CYS 8 249.926 4.866 -0.978 77 HA CYS 8 HA CYS 8 249.371 2.310 -0.058 78 HB2 CYS 8 1HB CYS 8 249.464 2.739 -2.393 79 HB3 CYS 8 2HB CYS 8 251.125 3.296 -2.295 80 H THR 9 H THR 9 250.316 1.038 1.309 81 HA THR 9 HA THR 9 252.695 1.674 2.662 82 HB THR 9 HB THR 9 251.257 -0.983 2.520 83 HG1 THR 9 HG1 THR 9 250.696 1.439 3.784 84 HG21 THR 9 1HG2 THR 9 252.200 -1.363 4.747 85 HG22 THR 9 2HG2 THR 9 253.067 0.170 4.646 86 HG23 THR 9 3HG2 THR 9 253.473 -1.148 3.546 87 H TYR 10 H TYR 10 252.073 -0.212 -0.195 88 HA TYR 10 HA TYR 10 254.684 -1.462 -0.165 89 HB2 TYR 10 1HB TYR 10 252.293 -1.620 -1.953 90 HB3 TYR 10 2HB TYR 10 253.855 -2.180 -2.544 91 HD1 TYR 10 HD1 TYR 10 254.323 -4.403 -2.275 92 HD2 TYR 10 HD2 TYR 10 251.745 -2.516 0.528 93 HE1 TYR 10 HE1 TYR 10 254.034 -6.546 -1.111 94 HE2 TYR 10 HE2 TYR 10 251.445 -4.649 1.703 95 HH TYR 10 HH TYR 10 253.427 -7.341 1.142 96 H CYS 11 H CYS 11 253.365 1.461 -1.231 97 HA CYS 11 HA CYS 11 255.492 1.910 -3.181 98 HB2 CYS 11 1HB CYS 11 253.021 3.403 -2.388 99 HB3 CYS 11 2HB CYS 11 254.332 4.268 -3.174 100 HA PRO 12 HA PRO 12 258.137 3.808 -0.129 101 HB2 PRO 12 1HB PRO 12 259.093 5.509 -2.342 102 HB3 PRO 12 2HB PRO 12 259.997 4.394 -1.319 103 HG2 PRO 12 1HG PRO 12 259.443 3.854 -3.906 104 HG3 PRO 12 2HG PRO 12 259.562 2.587 -2.671 105 HD2 PRO 12 1HD PRO 12 257.147 3.770 -3.952 106 HD3 PRO 12 2HD PRO 12 257.436 2.110 -3.393 107 H SER 13 H SER 13 257.774 5.486 1.193 108 HA SER 13 HA SER 13 255.527 7.108 0.833 109 HB2 SER 13 1HB SER 13 257.809 7.511 2.776 110 HB3 SER 13 2HB SER 13 256.183 8.177 2.921 111 HG SER 13 HG SER 13 257.110 5.650 3.482 112 H LYS 14 H LYS 14 258.833 7.642 -0.079 113 HA LYS 14 HA LYS 14 258.671 10.469 -0.362 114 HB2 LYS 14 1HB LYS 14 260.514 8.417 -1.585 115 HB3 LYS 14 2HB LYS 14 260.682 10.145 -1.860 116 HG2 LYS 14 1HG LYS 14 260.756 8.855 0.857 117 HG3 LYS 14 2HG LYS 14 262.185 9.241 -0.105 118 HD2 LYS 14 1HD LYS 14 261.478 11.614 -0.122 119 HD3 LYS 14 2HD LYS 14 260.126 11.192 0.928 120 HE2 LYS 14 1HE LYS 14 263.037 10.788 1.604 121 HE3 LYS 14 2HE LYS 14 262.052 12.139 2.156 122 HZ1 LYS 14 1HZ LYS 14 260.607 10.566 3.293 123 HZ2 LYS 14 2HZ LYS 14 262.200 10.425 3.838 124 HZ3 LYS 14 3HZ LYS 14 261.568 9.276 2.772 125 H ILE 15 H ILE 15 257.459 7.858 -2.203 126 HA ILE 15 HA ILE 15 257.327 9.292 -4.709 127 HB ILE 15 HB ILE 15 256.005 6.697 -3.895 128 HG12 ILE 15 1HG1 ILE 15 258.440 6.562 -3.772 129 HG13 ILE 15 2HG1 ILE 15 257.835 5.609 -5.120 130 HG21 ILE 15 1HG2 ILE 15 254.894 7.740 -5.807 131 HG22 ILE 15 2HG2 ILE 15 255.743 6.268 -6.278 132 HG23 ILE 15 3HG2 ILE 15 256.441 7.845 -6.648 133 HD11 ILE 15 1HD1 ILE 15 259.841 6.804 -5.738 134 HD12 ILE 15 2HD1 ILE 15 259.094 8.336 -5.288 135 HD13 ILE 15 3HD1 ILE 15 258.461 7.413 -6.652 136 H ARG 16 H ARG 16 255.456 8.962 -1.882 137 HA ARG 16 HA ARG 16 253.500 9.847 -1.151 138 HB2 ARG 16 1HB ARG 16 253.896 11.694 -3.506 139 HB3 ARG 16 2HB ARG 16 252.760 11.960 -2.193 140 HG2 ARG 16 1HG ARG 16 254.588 12.109 -0.608 141 HG3 ARG 16 2HG ARG 16 255.749 11.770 -1.894 142 HD2 ARG 16 1HD ARG 16 253.919 14.159 -1.722 143 HD3 ARG 16 2HD ARG 16 255.655 14.152 -1.423 144 HE ARG 16 HE ARG 16 254.739 13.279 -4.052 145 HH11 ARG 16 1HH1 ARG 16 256.171 15.784 -2.071 146 HH12 ARG 16 2HH1 ARG 16 256.804 16.668 -3.421 147 HH21 ARG 16 1HH2 ARG 16 255.556 14.445 -5.838 148 HH22 ARG 16 2HH2 ARG 16 256.445 15.911 -5.566 149 H ARG 17 H ARG 17 253.305 7.612 -2.862 150 HA ARG 17 HA ARG 17 251.181 8.087 -4.755 151 HB2 ARG 17 1HB ARG 17 253.001 6.429 -5.160 152 HB3 ARG 17 2HB ARG 17 252.394 5.477 -3.815 153 HG2 ARG 17 1HG ARG 17 251.670 4.539 -5.923 154 HG3 ARG 17 2HG ARG 17 250.286 5.132 -5.005 155 HD2 ARG 17 1HD ARG 17 250.062 7.033 -6.392 156 HD3 ARG 17 2HD ARG 17 251.639 6.774 -7.131 157 HE ARG 17 HE ARG 17 250.596 4.679 -8.085 158 HH11 ARG 17 1HH1 ARG 17 248.660 7.487 -7.277 159 HH12 ARG 17 2HH1 ARG 17 247.480 7.177 -8.508 160 HH21 ARG 17 1HH2 ARG 17 249.049 4.286 -9.697 161 HH22 ARG 17 2HH2 ARG 17 247.694 5.356 -9.880 162 H LYS 18 H LYS 18 249.136 8.227 -4.163 163 HA LYS 18 HA LYS 18 248.279 7.583 -1.527 164 HB2 LYS 18 1HB LYS 18 246.790 8.489 -3.988 165 HB3 LYS 18 2HB LYS 18 245.972 8.135 -2.475 166 HG2 LYS 18 1HG LYS 18 246.281 10.476 -2.553 167 HG3 LYS 18 2HG LYS 18 247.455 9.857 -1.392 168 HD2 LYS 18 1HD LYS 18 249.207 9.980 -3.078 169 HD3 LYS 18 2HD LYS 18 248.036 10.547 -4.270 170 HE2 LYS 18 1HE LYS 18 247.676 12.572 -3.034 171 HE3 LYS 18 2HE LYS 18 248.677 11.990 -1.704 172 HZ1 LYS 18 1HZ LYS 18 249.608 12.602 -4.458 173 HZ2 LYS 18 2HZ LYS 18 250.580 11.978 -3.224 174 HZ3 LYS 18 3HZ LYS 18 249.910 13.525 -3.073 175 H ALA 19 H ALA 19 246.510 6.153 -0.992 176 HA ALA 19 HA ALA 19 246.347 3.808 -2.767 177 HB1 ALA 19 1HB ALA 19 247.823 3.353 -0.876 178 HB2 ALA 19 2HB ALA 19 246.362 2.372 -0.807 179 HB3 ALA 19 3HB ALA 19 246.529 3.784 0.239 180 H ASN 20 H ASN 20 244.329 3.671 -3.487 181 HA ASN 20 HA ASN 20 242.128 4.427 -1.703 182 HB2 ASN 20 1HB ASN 20 240.718 4.519 -3.680 183 HB3 ASN 20 2HB ASN 20 242.157 5.496 -3.934 184 HD21 ASN 20 1HD2 ASN 20 240.368 4.352 -5.885 185 HD22 ASN 20 2HD2 ASN 20 241.335 3.334 -6.894 186 H ALA 21 H ALA 21 243.862 1.817 -2.261 187 HA ALA 21 HA ALA 21 241.568 -0.000 -1.936 188 HB1 ALA 21 1HB ALA 21 242.647 -0.472 -4.050 189 HB2 ALA 21 2HB ALA 21 243.000 -1.776 -2.917 190 HB3 ALA 21 3HB ALA 21 244.222 -0.555 -3.265 191 H SER 22 H SER 22 241.956 -1.791 -0.460 192 HA SER 22 HA SER 22 244.208 -1.412 1.364 193 HB2 SER 22 1HB SER 22 241.338 -1.532 2.316 194 HB3 SER 22 2HB SER 22 242.774 -1.395 3.330 195 HG SER 22 HG SER 22 242.150 0.513 1.337 196 H CYS 23 H CYS 23 244.964 -3.258 2.230 197 HA CYS 23 HA CYS 23 243.851 -5.773 1.362 198 HB2 CYS 23 1HB CYS 23 246.276 -5.459 1.508 199 HB3 CYS 23 2HB CYS 23 246.142 -5.117 3.228 200 H LYS 24 H LYS 24 242.322 -6.873 2.433 201 HA LYS 24 HA LYS 24 241.218 -5.711 4.803 202 HB2 LYS 24 1HB LYS 24 240.471 -8.133 3.171 203 HB3 LYS 24 2HB LYS 24 239.625 -7.703 4.650 204 HG2 LYS 24 1HG LYS 24 238.341 -6.850 2.861 205 HG3 LYS 24 2HG LYS 24 239.145 -5.467 3.602 206 HD2 LYS 24 1HD LYS 24 240.858 -5.544 1.836 207 HD3 LYS 24 2HD LYS 24 240.004 -6.893 1.084 208 HE2 LYS 24 1HE LYS 24 238.040 -5.463 0.772 209 HE3 LYS 24 2HE LYS 24 238.900 -4.120 1.522 210 HZ1 LYS 24 1HZ LYS 24 240.542 -4.251 -0.269 211 HZ2 LYS 24 2HZ LYS 24 238.988 -3.939 -0.860 212 HZ3 LYS 24 3HZ LYS 24 239.649 -5.491 -1.007 213 H LYS 25 H LYS 25 243.534 -8.157 4.224 214 HA LYS 25 HA LYS 25 242.952 -9.596 6.663 215 HB2 LYS 25 1HB LYS 25 245.055 -9.946 4.546 216 HB3 LYS 25 2HB LYS 25 245.053 -10.886 6.032 217 HG2 LYS 25 1HG LYS 25 242.756 -11.658 5.466 218 HG3 LYS 25 2HG LYS 25 242.916 -10.833 3.915 219 HD2 LYS 25 1HD LYS 25 243.430 -13.175 3.636 220 HD3 LYS 25 2HD LYS 25 244.897 -12.223 3.416 221 HE2 LYS 25 1HE LYS 25 245.361 -14.209 4.739 222 HE3 LYS 25 2HE LYS 25 245.580 -12.759 5.714 223 HZ1 LYS 25 1HZ LYS 25 244.393 -14.522 6.900 224 HZ2 LYS 25 2HZ LYS 25 243.159 -14.479 5.745 225 HZ3 LYS 25 3HZ LYS 25 243.440 -13.136 6.732 226 H CYS 26 H CYS 26 244.618 -6.765 6.067 227 HA CYS 26 HA CYS 26 245.811 -6.974 8.710 228 HB2 CYS 26 1HB CYS 26 248.017 -6.198 7.999 229 HB3 CYS 26 2HB CYS 26 247.611 -7.731 7.234 230 H LYS 27 H LYS 27 244.345 -5.169 6.279 231 HA LYS 27 HA LYS 27 243.478 -3.105 6.176 232 HB2 LYS 27 1HB LYS 27 244.406 -2.850 9.038 233 HB3 LYS 27 2HB LYS 27 243.392 -1.681 8.206 234 HG2 LYS 27 1HG LYS 27 242.683 -4.549 8.795 235 HG3 LYS 27 2HG LYS 27 242.059 -3.126 9.624 236 HD2 LYS 27 1HD LYS 27 241.659 -3.761 6.699 237 HD3 LYS 27 2HD LYS 27 240.473 -4.033 7.970 238 HE2 LYS 27 1HE LYS 27 241.622 -1.344 7.232 239 HE3 LYS 27 2HE LYS 27 240.070 -1.962 6.674 240 HZ1 LYS 27 1HZ LYS 27 239.757 -0.510 8.548 241 HZ2 LYS 27 2HZ LYS 27 240.828 -1.415 9.492 242 HZ3 LYS 27 3HZ LYS 27 239.359 -2.091 9.002 243 H LYS 28 H LYS 28 246.424 -3.738 5.723 244 HA LYS 28 HA LYS 28 247.538 -1.059 5.778 245 HB2 LYS 28 1HB LYS 28 248.559 -3.557 4.397 246 HB3 LYS 28 2HB LYS 28 249.430 -2.040 4.540 247 HG2 LYS 28 1HG LYS 28 248.601 -3.774 6.857 248 HG3 LYS 28 2HG LYS 28 250.203 -3.755 6.122 249 HD2 LYS 28 1HD LYS 28 250.415 -1.371 6.709 250 HD3 LYS 28 2HD LYS 28 248.835 -1.440 7.490 251 HE2 LYS 28 1HE LYS 28 249.662 -3.101 9.062 252 HE3 LYS 28 2HE LYS 28 251.231 -3.102 8.258 253 HZ1 LYS 28 1HZ LYS 28 250.006 -0.780 9.641 254 HZ2 LYS 28 2HZ LYS 28 251.520 -0.797 8.884 255 HZ3 LYS 28 3HZ LYS 28 251.251 -1.747 10.254 256 H VAL 29 H VAL 29 247.735 0.269 3.981 257 HA VAL 29 HA VAL 29 245.681 -0.271 1.989 258 HB VAL 29 HB VAL 29 245.875 2.137 1.432 259 HG11 VAL 29 1HG1 VAL 29 244.211 1.366 3.020 260 HG12 VAL 29 2HG1 VAL 29 244.834 2.944 3.505 261 HG13 VAL 29 3HG1 VAL 29 245.381 1.488 4.334 262 HG21 VAL 29 1HG2 VAL 29 248.208 2.475 2.096 263 HG22 VAL 29 2HG2 VAL 29 247.766 2.218 3.783 264 HG23 VAL 29 3HG2 VAL 29 247.138 3.615 2.909 265 H ILE 30 H ILE 30 246.000 -0.130 -0.200 266 HA ILE 30 HA ILE 30 248.770 -0.029 -1.147 267 HB ILE 30 HB ILE 30 248.298 -2.031 -2.599 268 HG12 ILE 30 1HG1 ILE 30 245.926 -2.254 -0.733 269 HG13 ILE 30 2HG1 ILE 30 245.895 -2.139 -2.489 270 HG21 ILE 30 1HG2 ILE 30 249.733 -2.174 -0.640 271 HG22 ILE 30 2HG2 ILE 30 248.802 -3.658 -0.838 272 HG23 ILE 30 3HG2 ILE 30 248.329 -2.477 0.384 273 HD11 ILE 30 1HD1 ILE 30 245.429 -4.386 -1.904 274 HD12 ILE 30 2HD1 ILE 30 246.812 -4.456 -0.813 275 HD13 ILE 30 3HD1 ILE 30 247.070 -4.349 -2.552 276 H CYS 31 H CYS 31 248.991 0.476 -3.342 277 HA CYS 31 HA CYS 31 246.841 2.087 -4.417 278 HB2 CYS 31 1HB CYS 31 248.465 2.797 -6.072 279 HB3 CYS 31 2HB CYS 31 249.257 2.795 -4.499 280 H ARG 32 H ARG 32 246.258 1.833 -6.772 281 HA ARG 32 HA ARG 32 245.494 -0.884 -7.264 282 HB2 ARG 32 1HB ARG 32 245.178 1.571 -8.990 283 HB3 ARG 32 2HB ARG 32 244.467 0.004 -9.341 284 HG2 ARG 32 1HG ARG 32 243.865 1.753 -6.967 285 HG3 ARG 32 2HG ARG 32 242.825 1.473 -8.363 286 HD2 ARG 32 1HD ARG 32 243.691 -0.589 -6.334 287 HD3 ARG 32 2HD ARG 32 242.097 0.148 -6.455 288 HE ARG 32 HE ARG 32 243.123 -1.377 -8.740 289 HH11 ARG 32 1HH1 ARG 32 240.868 -1.090 -6.075 290 HH12 ARG 32 2HH1 ARG 32 239.830 -2.353 -6.651 291 HH21 ARG 32 1HH2 ARG 32 241.767 -3.043 -9.495 292 HH22 ARG 32 2HH2 ARG 32 240.349 -3.472 -8.594 293 H GLU 33 H GLU 33 248.400 0.247 -7.477 294 HA GLU 33 HA GLU 33 249.058 -1.264 -9.915 295 HB2 GLU 33 1HB GLU 33 250.778 0.668 -8.349 296 HB3 GLU 33 2HB GLU 33 251.244 -0.155 -9.829 297 HG2 GLU 33 1HG GLU 33 249.599 1.063 -11.083 298 HG3 GLU 33 2HG GLU 33 248.967 1.798 -9.610 299 H HIS 34 H HIS 34 248.872 -1.406 -6.596 300 HA HIS 34 HA HIS 34 250.736 -3.686 -6.469 301 HB2 HIS 34 1HB HIS 34 250.401 -1.423 -4.495 302 HB3 HIS 34 2HB HIS 34 251.048 -2.981 -4.003 303 HD2 HIS 34 HD2 HIS 34 253.021 -3.355 -6.656 304 HE1 HIS 34 HE1 HIS 34 254.832 0.102 -5.024 305 HE2 HIS 34 HE2 HIS 34 255.218 -2.008 -6.376 306 H ASN 35 H ASN 35 247.862 -3.568 -6.961 307 HA ASN 35 HA ASN 35 246.798 -4.529 -4.395 308 HB2 ASN 35 1HB ASN 35 245.717 -2.479 -4.912 309 HB3 ASN 35 2HB ASN 35 245.445 -2.964 -6.579 310 HD21 ASN 35 1HD2 ASN 35 243.691 -4.216 -7.083 311 HD22 ASN 35 2HD2 ASN 35 242.456 -4.623 -5.941 312 H ILE 36 H ILE 36 246.303 -6.555 -4.294 313 HA ILE 36 HA ILE 36 244.921 -7.771 -6.590 314 HB ILE 36 HB ILE 36 245.667 -9.998 -5.695 315 HG12 ILE 36 1HG1 ILE 36 247.517 -8.274 -4.032 316 HG13 ILE 36 2HG1 ILE 36 246.238 -9.317 -3.420 317 HG21 ILE 36 1HG2 ILE 36 247.921 -9.882 -6.651 318 HG22 ILE 36 2HG2 ILE 36 247.850 -8.122 -6.586 319 HG23 ILE 36 3HG2 ILE 36 246.744 -9.011 -7.634 320 HD11 ILE 36 1HD1 ILE 36 247.444 -11.271 -4.242 321 HD12 ILE 36 2HD1 ILE 36 248.419 -10.324 -3.118 322 HD13 ILE 36 3HD1 ILE 36 248.724 -10.222 -4.853 323 H ASP 37 H ASP 37 243.799 -6.139 -4.591 324 HA ASP 37 HA ASP 37 242.228 -5.955 -2.968 325 HB2 ASP 37 1HB ASP 37 240.915 -7.384 -4.525 326 HB3 ASP 37 2HB ASP 37 241.520 -8.812 -3.690 327 H MET 38 H MET 38 244.888 -7.088 -2.511 328 HA MET 38 HA MET 38 244.769 -7.660 0.244 329 HB2 MET 38 1HB MET 38 243.960 -9.850 -0.721 330 HB3 MET 38 2HB MET 38 245.500 -9.994 -1.552 331 HG2 MET 38 1HG MET 38 246.671 -10.110 0.556 332 HG3 MET 38 2HG MET 38 245.166 -9.846 1.436 333 HE1 MET 38 1HE MET 38 243.183 -13.124 0.562 334 HE2 MET 38 2HE MET 38 243.190 -11.679 -0.445 335 HE3 MET 38 3HE MET 38 243.109 -11.529 1.310 336 H CYS 39 H CYS 39 246.980 -7.901 1.072 337 HA CYS 39 HA CYS 39 248.942 -6.905 -0.855 338 HB2 CYS 39 1HB CYS 39 250.120 -5.955 0.909 339 HB3 CYS 39 2HB CYS 39 248.461 -5.799 1.468 340 H GLN 40 H GLN 40 251.038 -7.858 -0.912 341 HA GLN 40 HA GLN 40 250.954 -10.627 -1.245 342 HB2 GLN 40 1HB GLN 40 252.495 -9.160 -2.448 343 HB3 GLN 40 2HB GLN 40 253.357 -8.820 -0.954 344 HG2 GLN 40 1HG GLN 40 254.014 -11.158 -0.793 345 HG3 GLN 40 2HG GLN 40 253.135 -11.510 -2.280 346 HE21 GLN 40 1HE2 GLN 40 253.922 -8.991 -3.525 347 HE22 GLN 40 2HE2 GLN 40 255.582 -9.181 -3.972 348 H SER 41 H SER 41 251.652 -8.751 1.577 349 HA SER 41 HA SER 41 253.059 -10.831 2.961 350 HB2 SER 41 1HB SER 41 251.779 -8.288 3.974 351 HB3 SER 41 2HB SER 41 252.809 -9.349 4.935 352 HG SER 41 HG SER 41 254.175 -8.887 2.770 353 H CYS 42 H CYS 42 249.841 -10.501 2.130 354 HA CYS 42 HA CYS 42 249.079 -12.325 4.323 355 HB2 CYS 42 1HB CYS 42 247.291 -10.390 2.843 356 HB3 CYS 42 2HB CYS 42 246.748 -11.559 4.039 357 H PHE 43 H PHE 43 249.450 -11.930 0.964 358 HA PHE 43 HA PHE 43 247.382 -13.769 0.195 359 HB2 PHE 43 1HB PHE 43 248.177 -11.849 -1.238 360 HB3 PHE 43 2HB PHE 43 249.650 -12.771 -1.526 361 HD1 PHE 43 HD1 PHE 43 249.639 -14.720 -2.945 362 HD2 PHE 43 HD2 PHE 43 246.050 -12.576 -2.158 363 HE1 PHE 43 HE1 PHE 43 248.531 -15.904 -4.792 364 HE2 PHE 43 HE2 PHE 43 244.936 -13.759 -4.004 365 HZ PHE 43 HZ PHE 43 246.177 -15.427 -5.322 Start of MODEL 15 1 H1 VAL 1 1H VAL 1 250.814 13.772 7.741 2 H2 VAL 1 2H VAL 1 250.219 15.286 8.197 3 H3 VAL 1 3H VAL 1 251.033 15.107 6.728 4 HA VAL 1 HA VAL 1 248.643 15.279 6.417 5 HB VAL 1 HB VAL 1 248.317 13.237 5.058 6 HG11 VAL 1 1HG1 VAL 1 251.031 14.520 4.824 7 HG12 VAL 1 2HG1 VAL 1 249.530 15.077 4.089 8 HG13 VAL 1 3HG1 VAL 1 250.257 13.559 3.566 9 HG21 VAL 1 1HG2 VAL 1 250.921 12.349 6.296 10 HG22 VAL 1 2HG2 VAL 1 250.131 11.570 4.926 11 HG23 VAL 1 3HG2 VAL 1 249.344 11.590 6.504 12 H MET 2 H MET 2 246.576 14.519 6.816 13 HA MET 2 HA MET 2 246.220 13.058 9.289 14 HB2 MET 2 1HB MET 2 244.181 14.171 7.341 15 HB3 MET 2 2HB MET 2 243.810 13.494 8.922 16 HG2 MET 2 1HG MET 2 245.075 15.277 9.995 17 HG3 MET 2 2HG MET 2 245.487 15.943 8.417 18 HE1 MET 2 1HE MET 2 244.577 18.322 9.135 19 HE2 MET 2 2HE MET 2 244.188 17.679 10.731 20 HE3 MET 2 3HE MET 2 242.977 18.590 9.828 21 H LYS 3 H LYS 3 245.625 10.982 9.481 22 HA LYS 3 HA LYS 3 245.333 8.805 8.966 23 HB2 LYS 3 1HB LYS 3 243.936 9.942 6.543 24 HB3 LYS 3 2HB LYS 3 243.946 8.236 6.964 25 HG2 LYS 3 1HG LYS 3 242.843 10.433 8.704 26 HG3 LYS 3 2HG LYS 3 241.883 9.381 7.659 27 HD2 LYS 3 1HD LYS 3 242.643 7.429 8.921 28 HD3 LYS 3 2HD LYS 3 243.620 8.473 9.954 29 HE2 LYS 3 1HE LYS 3 240.619 8.588 9.684 30 HE3 LYS 3 2HE LYS 3 241.497 7.839 11.015 31 HZ1 LYS 3 1HZ LYS 3 242.460 10.014 11.526 32 HZ2 LYS 3 2HZ LYS 3 240.774 10.041 11.622 33 HZ3 LYS 3 3HZ LYS 3 241.552 10.717 10.285 34 H LYS 4 H LYS 4 247.494 8.401 8.812 35 HA LYS 4 HA LYS 4 249.102 8.751 6.536 36 HB2 LYS 4 1HB LYS 4 249.307 6.771 8.808 37 HB3 LYS 4 2HB LYS 4 250.552 6.986 7.589 38 HG2 LYS 4 1HG LYS 4 249.589 9.159 9.433 39 HG3 LYS 4 2HG LYS 4 251.007 8.154 9.724 40 HD2 LYS 4 1HD LYS 4 250.603 9.954 7.336 41 HD3 LYS 4 2HD LYS 4 251.578 10.344 8.751 42 HE2 LYS 4 1HE LYS 4 252.055 8.043 6.861 43 HE3 LYS 4 2HE LYS 4 252.953 9.558 6.881 44 HZ1 LYS 4 1HZ LYS 4 254.153 7.826 8.032 45 HZ2 LYS 4 2HZ LYS 4 252.853 7.563 9.080 46 HZ3 LYS 4 3HZ LYS 4 253.693 9.029 9.127 47 H ARG 5 H ARG 5 246.706 6.426 7.316 48 HA ARG 5 HA ARG 5 247.679 4.391 5.525 49 HB2 ARG 5 1HB ARG 5 246.311 4.099 7.706 50 HB3 ARG 5 2HB ARG 5 244.920 4.456 6.696 51 HG2 ARG 5 1HG ARG 5 245.463 2.566 5.266 52 HG3 ARG 5 2HG ARG 5 246.874 2.212 6.262 53 HD2 ARG 5 1HD ARG 5 243.990 2.134 7.126 54 HD3 ARG 5 2HD ARG 5 245.049 0.749 6.874 55 HE ARG 5 HE ARG 5 246.067 2.602 8.809 56 HH11 ARG 5 1HH1 ARG 5 243.923 -0.117 8.321 57 HH12 ARG 5 2HH1 ARG 5 243.940 -0.593 9.989 58 HH21 ARG 5 1HH2 ARG 5 246.113 1.978 11.000 59 HH22 ARG 5 2HH2 ARG 5 245.202 0.593 11.515 60 H THR 6 H THR 6 246.966 7.101 4.502 61 HA THR 6 HA THR 6 244.842 6.439 2.605 62 HB THR 6 HB THR 6 246.408 9.015 2.881 63 HG1 THR 6 HG1 THR 6 245.254 8.895 4.731 64 HG21 THR 6 1HG2 THR 6 245.364 8.747 0.693 65 HG22 THR 6 2HG2 THR 6 244.541 9.998 1.625 66 HG23 THR 6 3HG2 THR 6 243.815 8.401 1.461 67 H TYR 7 H TYR 7 248.211 6.420 2.927 68 HA TYR 7 HA TYR 7 248.633 6.508 0.027 69 HB2 TYR 7 1HB TYR 7 250.580 6.860 2.312 70 HB3 TYR 7 2HB TYR 7 251.036 6.837 0.611 71 HD1 TYR 7 HD1 TYR 7 249.438 8.767 3.271 72 HD2 TYR 7 HD2 TYR 7 250.447 8.686 -0.860 73 HE1 TYR 7 HE1 TYR 7 249.001 11.180 3.125 74 HE2 TYR 7 HE2 TYR 7 250.022 11.097 -1.018 75 HH TYR 7 HH TYR 7 248.822 12.843 0.123 76 H CYS 8 H CYS 8 249.555 4.872 -1.032 77 HA CYS 8 HA CYS 8 249.086 2.265 -0.196 78 HB2 CYS 8 1HB CYS 8 249.183 2.716 -2.501 79 HB3 CYS 8 2HB CYS 8 250.765 3.466 -2.377 80 H THR 9 H THR 9 250.087 0.969 1.138 81 HA THR 9 HA THR 9 252.464 1.626 2.495 82 HB THR 9 HB THR 9 251.029 -1.025 2.260 83 HG1 THR 9 HG1 THR 9 250.842 1.157 4.085 84 HG21 THR 9 1HG2 THR 9 253.259 -1.408 3.096 85 HG22 THR 9 2HG2 THR 9 252.117 -1.530 4.436 86 HG23 THR 9 3HG2 THR 9 253.098 -0.079 4.243 87 H TYR 10 H TYR 10 251.854 -0.188 -0.412 88 HA TYR 10 HA TYR 10 254.452 -1.389 -0.549 89 HB2 TYR 10 1HB TYR 10 252.112 -1.177 -2.397 90 HB3 TYR 10 2HB TYR 10 253.678 -1.647 -3.052 91 HD1 TYR 10 HD1 TYR 10 253.922 -3.896 -3.334 92 HD2 TYR 10 HD2 TYR 10 251.671 -2.505 -0.006 93 HE1 TYR 10 HE1 TYR 10 253.565 -6.215 -2.613 94 HE2 TYR 10 HE2 TYR 10 251.301 -4.819 0.724 95 HH TYR 10 HH TYR 10 253.069 -7.412 -0.469 96 H CYS 11 H CYS 11 253.120 1.662 -1.330 97 HA CYS 11 HA CYS 11 255.343 2.409 -3.056 98 HB2 CYS 11 1HB CYS 11 252.821 3.776 -2.167 99 HB3 CYS 11 2HB CYS 11 254.145 4.723 -2.827 100 HA PRO 12 HA PRO 12 257.843 3.638 0.465 101 HB2 PRO 12 1HB PRO 12 259.170 5.250 -1.650 102 HB3 PRO 12 2HB PRO 12 259.872 4.108 -0.503 103 HG2 PRO 12 1HG PRO 12 259.572 3.476 -3.083 104 HG3 PRO 12 2HG PRO 12 259.345 2.272 -1.801 105 HD2 PRO 12 1HD PRO 12 257.311 3.707 -3.438 106 HD3 PRO 12 2HD PRO 12 257.293 2.047 -2.811 107 H SER 13 H SER 13 258.122 5.513 1.690 108 HA SER 13 HA SER 13 255.970 7.316 1.562 109 HB2 SER 13 1HB SER 13 258.506 7.471 3.206 110 HB3 SER 13 2HB SER 13 257.047 8.422 3.485 111 HG SER 13 HG SER 13 257.550 5.732 3.990 112 H LYS 14 H LYS 14 259.057 7.450 0.058 113 HA LYS 14 HA LYS 14 258.993 10.313 -0.321 114 HB2 LYS 14 1HB LYS 14 260.705 8.205 -1.649 115 HB3 LYS 14 2HB LYS 14 260.921 9.941 -1.818 116 HG2 LYS 14 1HG LYS 14 261.184 8.372 0.735 117 HG3 LYS 14 2HG LYS 14 262.509 9.000 -0.241 118 HD2 LYS 14 1HD LYS 14 261.692 11.287 0.154 119 HD3 LYS 14 2HD LYS 14 260.397 10.636 1.162 120 HE2 LYS 14 1HE LYS 14 262.089 9.664 2.665 121 HE3 LYS 14 2HE LYS 14 263.358 10.386 1.679 122 HZ1 LYS 14 1HZ LYS 14 261.259 11.879 3.156 123 HZ2 LYS 14 2HZ LYS 14 262.479 12.570 2.211 124 HZ3 LYS 14 3HZ LYS 14 262.877 11.729 3.621 125 H ILE 15 H ILE 15 257.652 7.560 -1.853 126 HA ILE 15 HA ILE 15 257.396 8.791 -4.456 127 HB ILE 15 HB ILE 15 256.168 6.248 -3.376 128 HG12 ILE 15 1HG1 ILE 15 258.596 6.115 -3.434 129 HG13 ILE 15 2HG1 ILE 15 257.917 5.122 -4.717 130 HG21 ILE 15 1HG2 ILE 15 255.734 5.670 -5.703 131 HG22 ILE 15 2HG2 ILE 15 256.361 7.236 -6.215 132 HG23 ILE 15 3HG2 ILE 15 254.892 7.150 -5.246 133 HD11 ILE 15 1HD1 ILE 15 258.405 6.922 -6.323 134 HD12 ILE 15 2HD1 ILE 15 259.847 6.297 -5.524 135 HD13 ILE 15 3HD1 ILE 15 259.162 7.842 -5.023 136 H ARG 16 H ARG 16 255.291 8.042 -1.709 137 HA ARG 16 HA ARG 16 253.310 8.920 -1.018 138 HB2 ARG 16 1HB ARG 16 254.418 11.244 -2.586 139 HB3 ARG 16 2HB ARG 16 252.945 11.352 -1.630 140 HG2 ARG 16 1HG ARG 16 255.477 10.384 -0.377 141 HG3 ARG 16 2HG ARG 16 255.196 12.111 -0.609 142 HD2 ARG 16 1HD ARG 16 253.270 10.274 0.805 143 HD3 ARG 16 2HD ARG 16 254.509 11.221 1.631 144 HE ARG 16 HE ARG 16 252.574 12.600 -0.086 145 HH11 ARG 16 1HH1 ARG 16 253.715 11.871 3.150 146 HH12 ARG 16 2HH1 ARG 16 252.956 13.258 3.863 147 HH21 ARG 16 1HH2 ARG 16 251.573 14.408 0.845 148 HH22 ARG 16 2HH2 ARG 16 251.745 14.715 2.545 149 H ARG 17 H ARG 17 252.420 7.221 -2.555 150 HA ARG 17 HA ARG 17 250.620 8.602 -4.427 151 HB2 ARG 17 1HB ARG 17 251.906 5.893 -4.657 152 HB3 ARG 17 2HB ARG 17 250.398 6.245 -5.492 153 HG2 ARG 17 1HG ARG 17 251.533 8.191 -6.568 154 HG3 ARG 17 2HG ARG 17 253.041 7.640 -5.845 155 HD2 ARG 17 1HD ARG 17 251.327 6.015 -7.722 156 HD3 ARG 17 2HD ARG 17 252.761 6.918 -8.198 157 HE ARG 17 HE ARG 17 253.339 5.094 -6.091 158 HH11 ARG 17 1HH1 ARG 17 252.743 5.255 -9.535 159 HH12 ARG 17 2HH1 ARG 17 253.709 3.862 -9.899 160 HH21 ARG 17 1HH2 ARG 17 254.621 3.247 -6.576 161 HH22 ARG 17 2HH2 ARG 17 254.755 2.714 -8.223 162 H LYS 18 H LYS 18 248.531 8.479 -4.024 163 HA LYS 18 HA LYS 18 247.643 7.410 -1.559 164 HB2 LYS 18 1HB LYS 18 246.156 8.576 -3.905 165 HB3 LYS 18 2HB LYS 18 245.328 7.975 -2.478 166 HG2 LYS 18 1HG LYS 18 245.479 10.231 -2.051 167 HG3 LYS 18 2HG LYS 18 246.884 9.602 -1.193 168 HD2 LYS 18 1HD LYS 18 248.348 10.285 -2.959 169 HD3 LYS 18 2HD LYS 18 246.983 10.723 -3.989 170 HE2 LYS 18 1HE LYS 18 247.727 12.041 -1.379 171 HE3 LYS 18 2HE LYS 18 248.027 12.698 -2.985 172 HZ1 LYS 18 1HZ LYS 18 246.065 13.688 -2.035 173 HZ2 LYS 18 2HZ LYS 18 245.364 12.172 -1.774 174 HZ3 LYS 18 3HZ LYS 18 245.617 12.726 -3.351 175 H ALA 19 H ALA 19 246.259 5.718 -1.122 176 HA ALA 19 HA ALA 19 246.444 3.518 -3.034 177 HB1 ALA 19 1HB ALA 19 245.590 3.517 -0.147 178 HB2 ALA 19 2HB ALA 19 247.215 3.166 -0.735 179 HB3 ALA 19 3HB ALA 19 245.877 2.096 -1.153 180 H ASN 20 H ASN 20 244.759 2.941 -4.246 181 HA ASN 20 HA ASN 20 242.100 3.953 -3.567 182 HB2 ASN 20 1HB ASN 20 243.171 2.687 -6.095 183 HB3 ASN 20 2HB ASN 20 241.484 3.123 -5.862 184 HD21 ASN 20 1HD2 ASN 20 243.416 4.095 -7.811 185 HD22 ASN 20 2HD2 ASN 20 243.469 5.810 -7.604 186 H ALA 21 H ALA 21 243.866 1.322 -2.864 187 HA ALA 21 HA ALA 21 241.491 -0.311 -2.436 188 HB1 ALA 21 1HB ALA 21 242.643 -2.329 -3.289 189 HB2 ALA 21 2HB ALA 21 243.955 -1.305 -3.869 190 HB3 ALA 21 3HB ALA 21 242.338 -1.135 -4.549 191 H SER 22 H SER 22 242.238 -2.343 -1.117 192 HA SER 22 HA SER 22 244.524 -1.885 0.580 193 HB2 SER 22 1HB SER 22 242.734 -0.436 1.565 194 HB3 SER 22 2HB SER 22 241.760 -1.883 1.805 195 HG SER 22 HG SER 22 244.380 -1.733 2.832 196 H CYS 23 H CYS 23 245.144 -3.726 1.695 197 HA CYS 23 HA CYS 23 243.872 -6.200 0.913 198 HB2 CYS 23 1HB CYS 23 246.369 -5.993 1.101 199 HB3 CYS 23 2HB CYS 23 246.172 -5.793 2.840 200 H LYS 24 H LYS 24 242.120 -6.854 1.961 201 HA LYS 24 HA LYS 24 241.198 -5.672 4.343 202 HB2 LYS 24 1HB LYS 24 240.338 -8.271 3.062 203 HB3 LYS 24 2HB LYS 24 239.442 -7.394 4.295 204 HG2 LYS 24 1HG LYS 24 240.081 -6.360 1.539 205 HG3 LYS 24 2HG LYS 24 238.533 -7.030 2.052 206 HD2 LYS 24 1HD LYS 24 238.256 -5.242 3.660 207 HD3 LYS 24 2HD LYS 24 239.854 -4.604 3.265 208 HE2 LYS 24 1HE LYS 24 238.113 -3.312 2.166 209 HE3 LYS 24 2HE LYS 24 239.113 -4.153 0.983 210 HZ1 LYS 24 1HZ LYS 24 236.448 -5.052 1.926 211 HZ2 LYS 24 2HZ LYS 24 237.399 -5.829 0.765 212 HZ3 LYS 24 3HZ LYS 24 236.761 -4.294 0.446 213 H LYS 25 H LYS 25 242.989 -8.619 3.716 214 HA LYS 25 HA LYS 25 242.737 -9.791 6.264 215 HB2 LYS 25 1HB LYS 25 244.935 -10.001 4.202 216 HB3 LYS 25 2HB LYS 25 244.852 -10.999 5.646 217 HG2 LYS 25 1HG LYS 25 242.731 -11.924 4.900 218 HG3 LYS 25 2HG LYS 25 242.785 -10.908 3.459 219 HD2 LYS 25 1HD LYS 25 244.791 -12.027 2.703 220 HD3 LYS 25 2HD LYS 25 244.855 -12.976 4.190 221 HE2 LYS 25 1HE LYS 25 242.644 -13.076 2.138 222 HE3 LYS 25 2HE LYS 25 243.939 -14.260 2.304 223 HZ1 LYS 25 1HZ LYS 25 243.133 -14.723 4.560 224 HZ2 LYS 25 2HZ LYS 25 241.964 -15.052 3.387 225 HZ3 LYS 25 3HZ LYS 25 241.849 -13.650 4.321 226 H CYS 26 H CYS 26 245.208 -7.637 4.928 227 HA CYS 26 HA CYS 26 246.618 -7.686 7.481 228 HB2 CYS 26 1HB CYS 26 247.494 -6.479 4.852 229 HB3 CYS 26 2HB CYS 26 248.501 -6.789 6.263 230 H LYS 27 H LYS 27 244.395 -5.770 5.878 231 HA LYS 27 HA LYS 27 243.563 -3.695 6.131 232 HB2 LYS 27 1HB LYS 27 244.993 -3.865 8.782 233 HB3 LYS 27 2HB LYS 27 243.883 -2.573 8.343 234 HG2 LYS 27 1HG LYS 27 242.123 -4.304 7.986 235 HG3 LYS 27 2HG LYS 27 243.246 -5.501 8.631 236 HD2 LYS 27 1HD LYS 27 243.333 -4.323 10.744 237 HD3 LYS 27 2HD LYS 27 242.306 -3.040 10.100 238 HE2 LYS 27 1HE LYS 27 241.520 -5.930 10.461 239 HE3 LYS 27 2HE LYS 27 241.025 -4.589 11.490 240 HZ1 LYS 27 1HZ LYS 27 239.919 -3.600 9.559 241 HZ2 LYS 27 2HZ LYS 27 239.296 -5.126 9.924 242 HZ3 LYS 27 3HZ LYS 27 240.349 -4.937 8.617 243 H LYS 28 H LYS 28 246.244 -4.129 4.961 244 HA LYS 28 HA LYS 28 247.422 -1.474 5.313 245 HB2 LYS 28 1HB LYS 28 248.451 -3.993 4.007 246 HB3 LYS 28 2HB LYS 28 249.248 -2.440 3.816 247 HG2 LYS 28 1HG LYS 28 249.618 -2.311 6.215 248 HG3 LYS 28 2HG LYS 28 248.773 -3.845 6.438 249 HD2 LYS 28 1HD LYS 28 250.453 -5.030 5.224 250 HD3 LYS 28 2HD LYS 28 251.224 -3.529 4.715 251 HE2 LYS 28 1HE LYS 28 252.492 -4.562 6.508 252 HE3 LYS 28 2HE LYS 28 251.792 -3.040 7.054 253 HZ1 LYS 28 1HZ LYS 28 250.693 -5.739 7.621 254 HZ2 LYS 28 2HZ LYS 28 250.046 -4.275 8.164 255 HZ3 LYS 28 3HZ LYS 28 251.561 -4.781 8.709 256 H VAL 29 H VAL 29 247.340 0.029 3.731 257 HA VAL 29 HA VAL 29 245.478 -0.501 1.582 258 HB VAL 29 HB VAL 29 245.743 1.944 1.087 259 HG11 VAL 29 1HG1 VAL 29 244.879 1.091 3.842 260 HG12 VAL 29 2HG1 VAL 29 243.885 1.177 2.389 261 HG13 VAL 29 3HG1 VAL 29 244.504 2.657 3.122 262 HG21 VAL 29 1HG2 VAL 29 247.341 1.918 3.644 263 HG22 VAL 29 2HG2 VAL 29 246.814 3.353 2.765 264 HG23 VAL 29 3HG2 VAL 29 247.978 2.248 2.033 265 H ILE 30 H ILE 30 245.879 -0.193 -0.603 266 HA ILE 30 HA ILE 30 248.694 -0.183 -1.430 267 HB ILE 30 HB ILE 30 248.083 -2.135 -2.991 268 HG12 ILE 30 1HG1 ILE 30 245.935 -2.459 -0.884 269 HG13 ILE 30 2HG1 ILE 30 245.658 -2.066 -2.573 270 HG21 ILE 30 1HG2 ILE 30 248.339 -2.622 -0.024 271 HG22 ILE 30 2HG2 ILE 30 249.666 -2.333 -1.150 272 HG23 ILE 30 3HG2 ILE 30 248.691 -3.796 -1.292 273 HD11 ILE 30 1HD1 ILE 30 245.207 -4.422 -1.986 274 HD12 ILE 30 2HD1 ILE 30 246.921 -4.618 -1.611 275 HD13 ILE 30 3HD1 ILE 30 246.413 -4.224 -3.253 276 H CYS 31 H CYS 31 249.036 0.545 -3.519 277 HA CYS 31 HA CYS 31 246.788 1.866 -4.795 278 HB2 CYS 31 1HB CYS 31 248.376 2.960 -6.202 279 HB3 CYS 31 2HB CYS 31 249.100 2.933 -4.602 280 H ARG 32 H ARG 32 246.056 1.359 -6.885 281 HA ARG 32 HA ARG 32 246.027 -1.447 -7.374 282 HB2 ARG 32 1HB ARG 32 244.858 0.827 -8.982 283 HB3 ARG 32 2HB ARG 32 244.525 -0.879 -9.255 284 HG2 ARG 32 1HG ARG 32 243.615 -1.026 -6.960 285 HG3 ARG 32 2HG ARG 32 243.853 0.712 -6.790 286 HD2 ARG 32 1HD ARG 32 242.086 -0.656 -8.814 287 HD3 ARG 32 2HD ARG 32 241.547 0.191 -7.368 288 HE ARG 32 HE ARG 32 243.081 1.686 -9.364 289 HH11 ARG 32 1HH1 ARG 32 240.012 1.031 -7.799 290 HH12 ARG 32 2HH1 ARG 32 239.241 2.449 -8.434 291 HH21 ARG 32 1HH2 ARG 32 242.068 3.557 -10.190 292 HH22 ARG 32 2HH2 ARG 32 240.412 3.888 -9.791 293 H GLU 33 H GLU 33 248.143 0.965 -8.306 294 HA GLU 33 HA GLU 33 249.021 -0.243 -10.764 295 HB2 GLU 33 1HB GLU 33 249.326 2.185 -10.200 296 HB3 GLU 33 2HB GLU 33 250.488 1.706 -8.972 297 HG2 GLU 33 1HG GLU 33 251.669 2.414 -10.921 298 HG3 GLU 33 2HG GLU 33 251.863 0.671 -10.745 299 H HIS 34 H HIS 34 249.536 -0.649 -7.391 300 HA HIS 34 HA HIS 34 251.842 -2.404 -7.827 301 HB2 HIS 34 1HB HIS 34 250.742 -0.953 -5.476 302 HB3 HIS 34 2HB HIS 34 251.461 -2.526 -5.155 303 HD2 HIS 34 HD2 HIS 34 253.911 -2.099 -7.408 304 HE1 HIS 34 HE1 HIS 34 255.015 0.921 -4.668 305 HE2 HIS 34 HE2 HIS 34 255.755 -0.433 -6.679 306 H ASN 35 H ASN 35 248.856 -2.481 -5.912 307 HA ASN 35 HA ASN 35 248.444 -5.282 -6.709 308 HB2 ASN 35 1HB ASN 35 248.568 -4.154 -3.920 309 HB3 ASN 35 2HB ASN 35 247.529 -5.527 -4.263 310 HD21 ASN 35 1HD2 ASN 35 250.545 -5.185 -5.968 311 HD22 ASN 35 2HD2 ASN 35 251.380 -6.443 -5.124 312 H ILE 36 H ILE 36 246.421 -5.608 -7.404 313 HA ILE 36 HA ILE 36 244.616 -3.407 -7.555 314 HB ILE 36 HB ILE 36 244.795 -5.068 -9.360 315 HG12 ILE 36 1HG1 ILE 36 242.339 -5.438 -9.714 316 HG13 ILE 36 2HG1 ILE 36 242.068 -4.853 -8.076 317 HG21 ILE 36 1HG2 ILE 36 243.755 -7.276 -9.134 318 HG22 ILE 36 2HG2 ILE 36 243.486 -6.966 -7.420 319 HG23 ILE 36 3HG2 ILE 36 245.129 -7.078 -8.048 320 HD11 ILE 36 1HD1 ILE 36 241.652 -3.119 -9.727 321 HD12 ILE 36 2HD1 ILE 36 243.305 -3.279 -10.322 322 HD13 ILE 36 3HD1 ILE 36 243.009 -2.692 -8.685 323 H ASP 37 H ASP 37 244.816 -6.287 -5.580 324 HA ASP 37 HA ASP 37 243.336 -5.244 -3.450 325 HB2 ASP 37 1HB ASP 37 241.390 -5.553 -4.962 326 HB3 ASP 37 2HB ASP 37 241.789 -7.262 -5.104 327 H MET 38 H MET 38 243.628 -6.481 -1.667 328 HA MET 38 HA MET 38 244.614 -7.989 -0.301 329 HB2 MET 38 1HB MET 38 243.092 -9.628 -1.352 330 HB3 MET 38 2HB MET 38 244.300 -9.936 -2.593 331 HG2 MET 38 1HG MET 38 245.824 -10.836 -0.967 332 HG3 MET 38 2HG MET 38 244.741 -10.395 0.350 333 HE1 MET 38 1HE MET 38 243.828 -11.973 -3.161 334 HE2 MET 38 2HE MET 38 243.857 -13.690 -2.759 335 HE3 MET 38 3HE MET 38 245.347 -12.747 -2.713 336 H CYS 39 H CYS 39 246.631 -7.758 0.232 337 HA CYS 39 HA CYS 39 248.607 -7.264 -1.798 338 HB2 CYS 39 1HB CYS 39 249.888 -6.303 -0.131 339 HB3 CYS 39 2HB CYS 39 248.271 -6.067 0.506 340 H GLN 40 H GLN 40 250.900 -8.271 -1.332 341 HA GLN 40 HA GLN 40 250.459 -11.174 -1.155 342 HB2 GLN 40 1HB GLN 40 252.540 -11.440 -2.401 343 HB3 GLN 40 2HB GLN 40 251.421 -10.401 -3.270 344 HG2 GLN 40 1HG GLN 40 252.646 -8.448 -2.630 345 HG3 GLN 40 2HG GLN 40 253.689 -9.396 -1.574 346 HE21 GLN 40 1HE2 GLN 40 252.654 -10.508 -4.714 347 HE22 GLN 40 2HE2 GLN 40 254.198 -10.384 -5.482 348 H SER 41 H SER 41 251.194 -8.862 0.861 349 HA SER 41 HA SER 41 253.262 -10.396 2.286 350 HB2 SER 41 1HB SER 41 253.801 -8.003 1.692 351 HB3 SER 41 2HB SER 41 252.463 -7.504 2.722 352 HG SER 41 HG SER 41 254.690 -9.039 3.594 353 H CYS 42 H CYS 42 250.951 -11.572 2.453 354 HA CYS 42 HA CYS 42 249.385 -10.502 4.664 355 HB2 CYS 42 1HB CYS 42 248.913 -12.980 2.999 356 HB3 CYS 42 2HB CYS 42 247.769 -12.223 4.105 357 H PHE 43 H PHE 43 248.457 -13.110 5.517 358 HA PHE 43 HA PHE 43 250.582 -13.612 7.435 359 HB2 PHE 43 1HB PHE 43 247.776 -14.740 7.373 360 HB3 PHE 43 2HB PHE 43 248.887 -14.729 8.739 361 HD1 PHE 43 HD1 PHE 43 249.511 -12.522 9.774 362 HD2 PHE 43 HD2 PHE 43 246.354 -12.926 6.948 363 HE1 PHE 43 HE1 PHE 43 248.587 -10.363 10.501 364 HE2 PHE 43 HE2 PHE 43 245.425 -10.769 7.672 365 HZ PHE 43 HZ PHE 43 246.543 -9.483 9.449 Start of MODEL 16 1 H1 VAL 1 1H VAL 1 247.816 4.916 15.776 2 H2 VAL 1 2H VAL 1 247.114 3.803 16.835 3 H3 VAL 1 3H VAL 1 246.369 5.296 16.565 4 HA VAL 1 HA VAL 1 246.735 3.137 14.573 5 HB VAL 1 HB VAL 1 244.290 2.940 14.608 6 HG11 VAL 1 1HG1 VAL 1 245.575 1.442 16.020 7 HG12 VAL 1 2HG1 VAL 1 244.054 1.863 16.807 8 HG13 VAL 1 3HG1 VAL 1 245.556 2.625 17.328 9 HG21 VAL 1 1HG2 VAL 1 242.986 4.016 16.402 10 HG22 VAL 1 2HG2 VAL 1 243.698 5.188 15.291 11 HG23 VAL 1 3HG2 VAL 1 244.422 4.923 16.876 12 H MET 2 H MET 2 246.789 6.417 14.955 13 HA MET 2 HA MET 2 245.137 7.098 12.681 14 HB2 MET 2 1HB MET 2 246.995 8.770 14.377 15 HB3 MET 2 2HB MET 2 246.011 9.407 13.069 16 HG2 MET 2 1HG MET 2 244.975 8.077 15.561 17 HG3 MET 2 2HG MET 2 244.999 9.808 15.247 18 HE1 MET 2 1HE MET 2 242.408 9.933 15.825 19 HE2 MET 2 2HE MET 2 242.398 8.196 16.134 20 HE3 MET 2 3HE MET 2 241.188 8.908 15.067 21 H LYS 3 H LYS 3 245.782 7.134 10.656 22 HA LYS 3 HA LYS 3 248.527 7.714 9.951 23 HB2 LYS 3 1HB LYS 3 248.734 5.346 10.251 24 HB3 LYS 3 2HB LYS 3 247.232 5.043 9.392 25 HG2 LYS 3 1HG LYS 3 249.133 4.449 8.020 26 HG3 LYS 3 2HG LYS 3 248.269 5.816 7.314 27 HD2 LYS 3 1HD LYS 3 249.932 7.346 8.267 28 HD3 LYS 3 2HD LYS 3 250.800 5.972 8.949 29 HE2 LYS 3 1HE LYS 3 250.327 6.520 6.021 30 HE3 LYS 3 2HE LYS 3 251.851 6.708 6.884 31 HZ1 LYS 3 1HZ LYS 3 251.818 4.645 5.666 32 HZ2 LYS 3 2HZ LYS 3 250.399 4.157 6.440 33 HZ3 LYS 3 3HZ LYS 3 251.831 4.317 7.326 34 H LYS 4 H LYS 4 248.512 8.962 8.198 35 HA LYS 4 HA LYS 4 246.223 9.528 6.681 36 HB2 LYS 4 1HB LYS 4 248.186 11.029 6.801 37 HB3 LYS 4 2HB LYS 4 249.132 9.849 5.905 38 HG2 LYS 4 1HG LYS 4 248.459 11.570 4.400 39 HG3 LYS 4 2HG LYS 4 247.556 10.110 4.004 40 HD2 LYS 4 1HD LYS 4 246.026 11.930 3.911 41 HD3 LYS 4 2HD LYS 4 245.661 11.024 5.377 42 HE2 LYS 4 1HE LYS 4 245.596 13.373 5.878 43 HE3 LYS 4 2HE LYS 4 247.004 12.663 6.666 44 HZ1 LYS 4 1HZ LYS 4 247.555 14.762 5.625 45 HZ2 LYS 4 2HZ LYS 4 247.028 14.197 4.122 46 HZ3 LYS 4 3HZ LYS 4 248.383 13.502 4.857 47 H ARG 5 H ARG 5 245.186 8.090 5.483 48 HA ARG 5 HA ARG 5 246.719 5.925 4.232 49 HB2 ARG 5 1HB ARG 5 243.797 6.137 4.957 50 HB3 ARG 5 2HB ARG 5 244.500 4.780 4.095 51 HG2 ARG 5 1HG ARG 5 245.918 4.265 5.977 52 HG3 ARG 5 2HG ARG 5 245.328 5.685 6.839 53 HD2 ARG 5 1HD ARG 5 243.097 4.744 6.919 54 HD3 ARG 5 2HD ARG 5 243.623 3.356 5.966 55 HE ARG 5 HE ARG 5 245.283 3.217 8.049 56 HH11 ARG 5 1HH1 ARG 5 241.813 3.676 7.920 57 HH12 ARG 5 2HH1 ARG 5 241.527 2.910 9.447 58 HH21 ARG 5 1HH2 ARG 5 244.914 2.204 10.056 59 HH22 ARG 5 2HH2 ARG 5 243.297 2.078 10.667 60 H THR 6 H THR 6 246.946 8.245 2.899 61 HA THR 6 HA THR 6 244.981 8.210 0.732 62 HB THR 6 HB THR 6 247.239 10.157 1.243 63 HG1 THR 6 HG1 THR 6 244.798 9.888 2.384 64 HG21 THR 6 1HG2 THR 6 246.075 11.589 -0.367 65 HG22 THR 6 2HG2 THR 6 244.877 10.322 -0.634 66 HG23 THR 6 3HG2 THR 6 246.555 10.062 -1.110 67 H TYR 7 H TYR 7 248.383 7.702 1.392 68 HA TYR 7 HA TYR 7 248.831 7.035 -1.426 69 HB2 TYR 7 1HB TYR 7 250.776 7.827 0.743 70 HB3 TYR 7 2HB TYR 7 251.256 7.303 -0.867 71 HD1 TYR 7 HD1 TYR 7 250.215 8.636 -2.847 72 HD2 TYR 7 HD2 TYR 7 250.432 10.090 1.142 73 HE1 TYR 7 HE1 TYR 7 250.012 10.934 -3.681 74 HE2 TYR 7 HE2 TYR 7 250.224 12.396 0.321 75 HH TYR 7 HH TYR 7 250.664 13.648 -1.770 76 H CYS 8 H CYS 8 249.900 5.196 -1.999 77 HA CYS 8 HA CYS 8 249.207 2.861 -0.611 78 HB2 CYS 8 1HB CYS 8 249.452 2.800 -2.967 79 HB3 CYS 8 2HB CYS 8 251.088 3.425 -2.893 80 H THR 9 H THR 9 250.169 1.724 0.917 81 HA THR 9 HA THR 9 252.426 2.794 2.280 82 HB THR 9 HB THR 9 251.059 0.129 2.689 83 HG1 THR 9 HG1 THR 9 250.296 2.736 3.223 84 HG21 THR 9 1HG2 THR 9 251.854 0.389 5.015 85 HG22 THR 9 2HG2 THR 9 252.741 1.834 4.529 86 HG23 THR 9 3HG2 THR 9 253.178 0.262 3.859 87 H TYR 10 H TYR 10 252.006 0.340 -0.147 88 HA TYR 10 HA TYR 10 254.621 -0.819 0.293 89 HB2 TYR 10 1HB TYR 10 252.387 -1.345 -1.625 90 HB3 TYR 10 2HB TYR 10 253.998 -1.963 -1.979 91 HD1 TYR 10 HD1 TYR 10 254.648 -3.997 -1.112 92 HD2 TYR 10 HD2 TYR 10 251.463 -1.887 0.751 93 HE1 TYR 10 HE1 TYR 10 254.285 -5.897 0.401 94 HE2 TYR 10 HE2 TYR 10 251.084 -3.780 2.263 95 HH TYR 10 HH TYR 10 253.304 -6.304 2.644 96 H CYS 11 H CYS 11 253.314 1.791 -1.411 97 HA CYS 11 HA CYS 11 255.611 1.977 -3.199 98 HB2 CYS 11 1HB CYS 11 253.004 3.439 -2.985 99 HB3 CYS 11 2HB CYS 11 254.350 4.173 -3.843 100 HA PRO 12 HA PRO 12 257.894 4.458 -0.293 101 HB2 PRO 12 1HB PRO 12 259.015 5.677 -2.754 102 HB3 PRO 12 2HB PRO 12 259.849 4.921 -1.397 103 HG2 PRO 12 1HG PRO 12 259.625 3.688 -3.766 104 HG3 PRO 12 2HG PRO 12 259.576 2.790 -2.237 105 HD2 PRO 12 1HD PRO 12 257.355 3.519 -4.084 106 HD3 PRO 12 2HD PRO 12 257.565 2.072 -3.077 107 H SER 13 H SER 13 257.707 6.462 0.552 108 HA SER 13 HA SER 13 255.341 7.831 0.009 109 HB2 SER 13 1HB SER 13 256.476 7.749 2.218 110 HB3 SER 13 2HB SER 13 257.718 8.833 1.593 111 HG SER 13 HG SER 13 254.980 9.356 2.064 112 H LYS 14 H LYS 14 258.569 8.365 -1.215 113 HA LYS 14 HA LYS 14 257.935 11.021 -2.156 114 HB2 LYS 14 1HB LYS 14 260.371 9.290 -2.561 115 HB3 LYS 14 2HB LYS 14 260.209 10.927 -3.182 116 HG2 LYS 14 1HG LYS 14 260.185 10.102 -0.288 117 HG3 LYS 14 2HG LYS 14 261.485 10.945 -1.136 118 HD2 LYS 14 1HD LYS 14 259.988 12.837 -1.543 119 HD3 LYS 14 2HD LYS 14 258.690 11.994 -0.700 120 HE2 LYS 14 1HE LYS 14 260.094 11.973 1.339 121 HE3 LYS 14 2HE LYS 14 261.292 12.940 0.481 122 HZ1 LYS 14 1HZ LYS 14 259.822 14.303 1.846 123 HZ2 LYS 14 2HZ LYS 14 258.477 13.753 0.978 124 HZ3 LYS 14 3HZ LYS 14 259.660 14.683 0.208 125 H ILE 15 H ILE 15 257.144 8.011 -3.242 126 HA ILE 15 HA ILE 15 257.245 8.700 -6.062 127 HB ILE 15 HB ILE 15 255.893 6.363 -4.696 128 HG12 ILE 15 1HG1 ILE 15 258.310 6.295 -4.406 129 HG13 ILE 15 2HG1 ILE 15 257.804 5.046 -5.536 130 HG21 ILE 15 1HG2 ILE 15 255.784 5.351 -6.914 131 HG22 ILE 15 2HG2 ILE 15 256.468 6.813 -7.620 132 HG23 ILE 15 3HG2 ILE 15 254.879 6.864 -6.857 133 HD11 ILE 15 1HD1 ILE 15 259.075 7.683 -6.227 134 HD12 ILE 15 2HD1 ILE 15 258.505 6.493 -7.396 135 HD13 ILE 15 3HD1 ILE 15 259.830 6.092 -6.302 136 H ARG 16 H ARG 16 255.133 8.890 -3.369 137 HA ARG 16 HA ARG 16 253.069 9.727 -2.999 138 HB2 ARG 16 1HB ARG 16 253.838 11.327 -5.435 139 HB3 ARG 16 2HB ARG 16 252.381 11.640 -4.497 140 HG2 ARG 16 1HG ARG 16 253.772 12.015 -2.503 141 HG3 ARG 16 2HG ARG 16 255.216 11.767 -3.486 142 HD2 ARG 16 1HD ARG 16 254.622 13.682 -4.866 143 HD3 ARG 16 2HD ARG 16 253.144 13.913 -3.933 144 HE ARG 16 HE ARG 16 255.391 13.947 -2.219 145 HH11 ARG 16 1HH1 ARG 16 253.800 15.909 -4.645 146 HH12 ARG 16 2HH1 ARG 16 254.345 17.409 -3.971 147 HH21 ARG 16 1HH2 ARG 16 256.122 15.908 -1.336 148 HH22 ARG 16 2HH2 ARG 16 255.668 17.411 -2.079 149 H ARG 17 H ARG 17 253.058 7.297 -4.270 150 HA ARG 17 HA ARG 17 251.082 7.365 -6.383 151 HB2 ARG 17 1HB ARG 17 253.002 5.718 -6.293 152 HB3 ARG 17 2HB ARG 17 252.205 4.968 -4.921 153 HG2 ARG 17 1HG ARG 17 251.748 3.711 -6.917 154 HG3 ARG 17 2HG ARG 17 250.262 4.473 -6.346 155 HD2 ARG 17 1HD ARG 17 250.654 4.580 -8.831 156 HD3 ARG 17 2HD ARG 17 250.352 6.125 -8.046 157 HE ARG 17 HE ARG 17 252.777 6.512 -8.152 158 HH11 ARG 17 1HH1 ARG 17 251.393 4.118 -10.300 159 HH12 ARG 17 2HH1 ARG 17 252.655 4.269 -11.477 160 HH21 ARG 17 1HH2 ARG 17 254.424 6.716 -9.712 161 HH22 ARG 17 2HH2 ARG 17 254.375 5.738 -11.144 162 H LYS 18 H LYS 18 248.958 7.376 -5.994 163 HA LYS 18 HA LYS 18 248.041 7.466 -3.294 164 HB2 LYS 18 1HB LYS 18 246.535 7.547 -5.911 165 HB3 LYS 18 2HB LYS 18 245.771 7.731 -4.342 166 HG2 LYS 18 1HG LYS 18 246.043 9.907 -5.171 167 HG3 LYS 18 2HG LYS 18 247.324 9.704 -3.975 168 HD2 LYS 18 1HD LYS 18 248.946 9.312 -5.711 169 HD3 LYS 18 2HD LYS 18 247.686 9.328 -6.944 170 HE2 LYS 18 1HE LYS 18 247.221 11.672 -6.433 171 HE3 LYS 18 2HE LYS 18 248.474 11.652 -5.194 172 HZ1 LYS 18 1HZ LYS 18 248.909 11.190 -8.093 173 HZ2 LYS 18 2HZ LYS 18 250.112 11.185 -6.905 174 HZ3 LYS 18 3HZ LYS 18 249.279 12.614 -7.259 175 H ALA 19 H ALA 19 246.728 6.074 -2.192 176 HA ALA 19 HA ALA 19 246.677 3.325 -3.170 177 HB1 ALA 19 1HB ALA 19 247.467 3.857 -0.865 178 HB2 ALA 19 2HB ALA 19 246.151 2.688 -0.932 179 HB3 ALA 19 3HB ALA 19 245.823 4.360 -0.474 180 H ASN 20 H ASN 20 244.878 2.379 -3.924 181 HA ASN 20 HA ASN 20 242.361 3.876 -3.654 182 HB2 ASN 20 1HB ASN 20 243.303 2.037 -5.854 183 HB3 ASN 20 2HB ASN 20 241.626 2.530 -5.686 184 HD21 ASN 20 1HD2 ASN 20 244.486 4.529 -5.108 185 HD22 ASN 20 2HD2 ASN 20 244.180 5.642 -6.395 186 H ALA 21 H ALA 21 243.977 1.051 -2.780 187 HA ALA 21 HA ALA 21 241.449 -0.143 -1.880 188 HB1 ALA 21 1HB ALA 21 242.216 -1.442 -3.779 189 HB2 ALA 21 2HB ALA 21 242.403 -2.380 -2.296 190 HB3 ALA 21 3HB ALA 21 243.807 -1.620 -3.044 191 H SER 22 H SER 22 241.762 -1.609 -0.016 192 HA SER 22 HA SER 22 244.174 -1.009 1.537 193 HB2 SER 22 1HB SER 22 241.388 -0.946 2.705 194 HB3 SER 22 2HB SER 22 242.897 -0.532 3.518 195 HG SER 22 HG SER 22 242.036 0.845 1.206 196 H CYS 23 H CYS 23 244.991 -2.714 2.592 197 HA CYS 23 HA CYS 23 243.752 -5.298 2.293 198 HB2 CYS 23 1HB CYS 23 246.199 -4.974 2.158 199 HB3 CYS 23 2HB CYS 23 246.213 -4.448 3.836 200 H LYS 24 H LYS 24 242.203 -5.990 3.617 201 HA LYS 24 HA LYS 24 241.348 -4.352 5.772 202 HB2 LYS 24 1HB LYS 24 240.407 -7.074 4.862 203 HB3 LYS 24 2HB LYS 24 239.625 -6.141 6.127 204 HG2 LYS 24 1HG LYS 24 238.347 -5.774 4.198 205 HG3 LYS 24 2HG LYS 24 239.317 -4.314 4.391 206 HD2 LYS 24 1HD LYS 24 240.872 -5.091 2.700 207 HD3 LYS 24 2HD LYS 24 239.990 -6.611 2.550 208 HE2 LYS 24 1HE LYS 24 239.418 -5.114 0.729 209 HE3 LYS 24 2HE LYS 24 238.021 -5.374 1.771 210 HZ1 LYS 24 1HZ LYS 24 238.404 -3.244 2.800 211 HZ2 LYS 24 2HZ LYS 24 238.294 -3.045 1.123 212 HZ3 LYS 24 3HZ LYS 24 239.804 -3.001 1.880 213 H LYS 25 H LYS 25 243.277 -7.222 5.558 214 HA LYS 25 HA LYS 25 242.844 -8.165 8.190 215 HB2 LYS 25 1HB LYS 25 243.724 -9.533 6.292 216 HB3 LYS 25 2HB LYS 25 245.251 -8.674 6.439 217 HG2 LYS 25 1HG LYS 25 245.500 -9.510 8.725 218 HG3 LYS 25 2HG LYS 25 243.975 -10.381 8.566 219 HD2 LYS 25 1HD LYS 25 244.942 -11.660 6.686 220 HD3 LYS 25 2HD LYS 25 246.478 -10.827 6.941 221 HE2 LYS 25 1HE LYS 25 245.063 -12.606 8.921 222 HE3 LYS 25 2HE LYS 25 246.500 -13.024 7.992 223 HZ1 LYS 25 1HZ LYS 25 246.320 -10.859 10.017 224 HZ2 LYS 25 2HZ LYS 25 247.699 -11.262 9.128 225 HZ3 LYS 25 3HZ LYS 25 247.063 -12.361 10.241 226 H CYS 26 H CYS 26 245.309 -6.016 6.808 227 HA CYS 26 HA CYS 26 246.402 -5.713 9.528 228 HB2 CYS 26 1HB CYS 26 248.563 -5.232 8.533 229 HB3 CYS 26 2HB CYS 26 247.959 -6.774 7.931 230 H LYS 27 H LYS 27 244.699 -4.141 7.123 231 HA LYS 27 HA LYS 27 243.840 -2.063 6.984 232 HB2 LYS 27 1HB LYS 27 245.298 -1.677 9.584 233 HB3 LYS 27 2HB LYS 27 244.389 -0.383 8.817 234 HG2 LYS 27 1HG LYS 27 242.365 -1.784 8.907 235 HG3 LYS 27 2HG LYS 27 243.291 -3.030 9.747 236 HD2 LYS 27 1HD LYS 27 243.703 -1.548 11.596 237 HD3 LYS 27 2HD LYS 27 242.950 -0.204 10.738 238 HE2 LYS 27 1HE LYS 27 241.429 -1.109 12.400 239 HE3 LYS 27 2HE LYS 27 240.805 -1.387 10.777 240 HZ1 LYS 27 1HZ LYS 27 242.238 -3.401 12.422 241 HZ2 LYS 27 2HZ LYS 27 241.566 -3.661 10.892 242 HZ3 LYS 27 3HZ LYS 27 240.561 -3.329 12.210 243 H LYS 28 H LYS 28 246.697 -2.821 6.050 244 HA LYS 28 HA LYS 28 247.790 -0.146 5.685 245 HB2 LYS 28 1HB LYS 28 248.765 -2.796 4.595 246 HB3 LYS 28 2HB LYS 28 249.605 -1.260 4.444 247 HG2 LYS 28 1HG LYS 28 249.674 -1.181 6.960 248 HG3 LYS 28 2HG LYS 28 249.106 -2.851 6.944 249 HD2 LYS 28 1HD LYS 28 251.646 -1.798 5.705 250 HD3 LYS 28 2HD LYS 28 251.522 -2.797 7.151 251 HE2 LYS 28 1HE LYS 28 250.536 -4.596 5.770 252 HE3 LYS 28 2HE LYS 28 250.772 -3.596 4.340 253 HZ1 LYS 28 1HZ LYS 28 252.569 -5.153 4.534 254 HZ2 LYS 28 2HZ LYS 28 252.894 -4.664 6.118 255 HZ3 LYS 28 3HZ LYS 28 253.174 -3.601 4.834 256 H VAL 29 H VAL 29 247.700 1.012 3.813 257 HA VAL 29 HA VAL 29 245.699 0.105 1.904 258 HB VAL 29 HB VAL 29 245.772 2.444 1.045 259 HG11 VAL 29 1HG1 VAL 29 245.255 2.289 4.004 260 HG12 VAL 29 2HG1 VAL 29 244.179 1.622 2.777 261 HG13 VAL 29 3HG1 VAL 29 244.486 3.356 2.827 262 HG21 VAL 29 1HG2 VAL 29 248.062 2.994 1.744 263 HG22 VAL 29 2HG2 VAL 29 247.552 2.938 3.432 264 HG23 VAL 29 3HG2 VAL 29 246.890 4.164 2.350 265 H ILE 30 H ILE 30 245.993 0.161 -0.338 266 HA ILE 30 HA ILE 30 248.772 0.158 -1.259 267 HB ILE 30 HB ILE 30 248.245 -2.000 -2.514 268 HG12 ILE 30 1HG1 ILE 30 245.980 -1.956 -0.518 269 HG13 ILE 30 2HG1 ILE 30 245.885 -2.187 -2.258 270 HG21 ILE 30 1HG2 ILE 30 249.811 -1.887 -0.658 271 HG22 ILE 30 2HG2 ILE 30 248.895 -3.393 -0.605 272 HG23 ILE 30 3HG2 ILE 30 248.486 -2.073 0.491 273 HD11 ILE 30 1HD1 ILE 30 247.126 -4.352 -1.912 274 HD12 ILE 30 2HD1 ILE 30 245.487 -4.287 -1.266 275 HD13 ILE 30 3HD1 ILE 30 246.869 -4.119 -0.184 276 H CYS 31 H CYS 31 249.030 0.335 -3.512 277 HA CYS 31 HA CYS 31 246.978 1.942 -4.771 278 HB2 CYS 31 1HB CYS 31 248.658 2.399 -6.466 279 HB3 CYS 31 2HB CYS 31 249.399 2.555 -4.881 280 H ARG 32 H ARG 32 246.785 1.525 -7.269 281 HA ARG 32 HA ARG 32 245.382 -0.948 -7.451 282 HB2 ARG 32 1HB ARG 32 245.952 1.115 -9.576 283 HB3 ARG 32 2HB ARG 32 244.814 -0.217 -9.729 284 HG2 ARG 32 1HG ARG 32 243.548 0.704 -7.816 285 HG3 ARG 32 2HG ARG 32 244.647 2.083 -7.800 286 HD2 ARG 32 1HD ARG 32 242.663 2.695 -8.998 287 HD3 ARG 32 2HD ARG 32 243.998 2.566 -10.141 288 HE ARG 32 HE ARG 32 242.872 0.117 -10.268 289 HH11 ARG 32 1HH1 ARG 32 241.590 3.358 -10.532 290 HH12 ARG 32 2HH1 ARG 32 240.285 2.900 -11.580 291 HH21 ARG 32 1HH2 ARG 32 241.163 -0.499 -11.659 292 HH22 ARG 32 2HH2 ARG 32 240.038 0.698 -12.216 293 H GLU 33 H GLU 33 248.598 -0.243 -7.861 294 HA GLU 33 HA GLU 33 248.987 -2.475 -9.724 295 HB2 GLU 33 1HB GLU 33 250.908 -0.369 -8.724 296 HB3 GLU 33 2HB GLU 33 251.369 -1.708 -9.766 297 HG2 GLU 33 1HG GLU 33 249.865 -0.897 -11.496 298 HG3 GLU 33 2HG GLU 33 249.369 0.433 -10.451 299 H HIS 34 H HIS 34 248.815 -1.816 -6.473 300 HA HIS 34 HA HIS 34 250.520 -4.130 -5.823 301 HB2 HIS 34 1HB HIS 34 250.205 -1.509 -4.387 302 HB3 HIS 34 2HB HIS 34 250.642 -2.955 -3.488 303 HD2 HIS 34 HD2 HIS 34 252.734 -4.054 -5.895 304 HE1 HIS 34 HE1 HIS 34 254.828 -0.565 -4.723 305 HE2 HIS 34 HE2 HIS 34 255.039 -2.869 -5.780 306 H ASN 35 H ASN 35 247.431 -3.401 -6.216 307 HA ASN 35 HA ASN 35 246.545 -4.491 -3.668 308 HB2 ASN 35 1HB ASN 35 244.222 -3.937 -4.427 309 HB3 ASN 35 2HB ASN 35 245.287 -2.571 -4.176 310 HD21 ASN 35 1HD2 ASN 35 245.490 -4.523 -7.091 311 HD22 ASN 35 2HD2 ASN 35 244.826 -3.318 -8.143 312 H ILE 36 H ILE 36 246.099 -6.479 -3.381 313 HA ILE 36 HA ILE 36 245.148 -8.116 -5.649 314 HB ILE 36 HB ILE 36 246.248 -9.252 -3.082 315 HG12 ILE 36 1HG1 ILE 36 247.934 -8.622 -5.516 316 HG13 ILE 36 2HG1 ILE 36 247.931 -7.652 -4.045 317 HG21 ILE 36 1HG2 ILE 36 246.152 -10.302 -5.907 318 HG22 ILE 36 2HG2 ILE 36 245.080 -10.765 -4.586 319 HG23 ILE 36 3HG2 ILE 36 246.796 -11.165 -4.511 320 HD11 ILE 36 1HD1 ILE 36 249.828 -9.163 -4.098 321 HD12 ILE 36 2HD1 ILE 36 248.742 -10.544 -4.252 322 HD13 ILE 36 3HD1 ILE 36 248.735 -9.577 -2.777 323 H ASP 37 H ASP 37 243.648 -6.258 -3.910 324 HA ASP 37 HA ASP 37 242.122 -6.022 -2.233 325 HB2 ASP 37 1HB ASP 37 241.385 -8.784 -3.227 326 HB3 ASP 37 2HB ASP 37 240.452 -7.928 -2.005 327 H MET 38 H MET 38 244.686 -6.866 -1.628 328 HA MET 38 HA MET 38 244.716 -7.796 0.991 329 HB2 MET 38 1HB MET 38 243.898 -9.904 -0.184 330 HB3 MET 38 2HB MET 38 245.424 -9.930 -1.051 331 HG2 MET 38 1HG MET 38 245.444 -11.486 0.803 332 HG3 MET 38 2HG MET 38 246.625 -10.198 1.049 333 HE1 MET 38 1HE MET 38 246.051 -11.910 3.455 334 HE2 MET 38 2HE MET 38 244.446 -12.386 2.900 335 HE3 MET 38 3HE MET 38 244.634 -11.552 4.442 336 H CYS 39 H CYS 39 246.880 -7.503 1.729 337 HA CYS 39 HA CYS 39 248.619 -6.396 -0.326 338 HB2 CYS 39 1HB CYS 39 249.792 -5.273 1.334 339 HB3 CYS 39 2HB CYS 39 248.165 -5.310 1.999 340 H GLN 40 H GLN 40 250.922 -6.954 -0.365 341 HA GLN 40 HA GLN 40 251.311 -9.622 -0.913 342 HB2 GLN 40 1HB GLN 40 252.772 -7.828 -1.712 343 HB3 GLN 40 2HB GLN 40 253.391 -7.595 -0.085 344 HG2 GLN 40 1HG GLN 40 254.280 -9.889 -0.128 345 HG3 GLN 40 2HG GLN 40 253.730 -10.042 -1.796 346 HE21 GLN 40 1HE2 GLN 40 256.422 -10.189 -0.685 347 HE22 GLN 40 2HE2 GLN 40 257.345 -8.992 -1.526 348 H SER 41 H SER 41 251.995 -7.922 2.124 349 HA SER 41 HA SER 41 253.464 -10.029 3.303 350 HB2 SER 41 1HB SER 41 252.002 -7.737 4.621 351 HB3 SER 41 2HB SER 41 253.207 -8.763 5.398 352 HG SER 41 HG SER 41 254.770 -7.935 4.078 353 H CYS 42 H CYS 42 250.027 -9.430 3.090 354 HA CYS 42 HA CYS 42 249.520 -11.510 5.096 355 HB2 CYS 42 1HB CYS 42 247.556 -9.721 3.650 356 HB3 CYS 42 2HB CYS 42 247.145 -10.885 4.899 357 H PHE 43 H PHE 43 249.890 -11.169 1.776 358 HA PHE 43 HA PHE 43 247.940 -13.146 0.982 359 HB2 PHE 43 1HB PHE 43 248.610 -11.175 -0.443 360 HB3 PHE 43 2HB PHE 43 250.173 -11.951 -0.670 361 HD1 PHE 43 HD1 PHE 43 250.436 -13.787 -2.170 362 HD2 PHE 43 HD2 PHE 43 246.577 -12.180 -1.377 363 HE1 PHE 43 HE1 PHE 43 249.522 -15.048 -4.074 364 HE2 PHE 43 HE2 PHE 43 245.656 -13.441 -3.278 365 HZ PHE 43 HZ PHE 43 247.130 -14.876 -4.629 Start of MODEL 17 1 H1 VAL 1 1H VAL 1 248.442 16.545 8.944 2 H2 VAL 1 2H VAL 1 247.418 16.771 10.268 3 H3 VAL 1 3H VAL 1 246.951 17.317 8.739 4 HA VAL 1 HA VAL 1 245.795 15.293 9.357 5 HB VAL 1 HB VAL 1 246.216 15.765 6.981 6 HG11 VAL 1 1HG1 VAL 1 248.721 14.126 7.321 7 HG12 VAL 1 2HG1 VAL 1 248.647 15.862 7.024 8 HG13 VAL 1 3HG1 VAL 1 248.081 14.732 5.795 9 HG21 VAL 1 1HG2 VAL 1 246.504 12.846 7.682 10 HG22 VAL 1 2HG2 VAL 1 246.002 13.475 6.114 11 HG23 VAL 1 3HG2 VAL 1 244.994 13.745 7.535 12 H MET 2 H MET 2 245.827 13.336 10.335 13 HA MET 2 HA MET 2 248.465 12.127 10.874 14 HB2 MET 2 1HB MET 2 246.010 12.160 12.646 15 HB3 MET 2 2HB MET 2 247.423 11.165 12.949 16 HG2 MET 2 1HG MET 2 247.611 13.039 14.352 17 HG3 MET 2 2HG MET 2 248.768 13.282 13.048 18 HE1 MET 2 1HE MET 2 244.842 13.793 12.897 19 HE2 MET 2 2HE MET 2 244.725 15.485 13.380 20 HE3 MET 2 3HE MET 2 245.297 14.277 14.531 21 H LYS 3 H LYS 3 247.547 11.371 8.611 22 HA LYS 3 HA LYS 3 246.234 8.780 9.057 23 HB2 LYS 3 1HB LYS 3 245.684 10.698 6.780 24 HB3 LYS 3 2HB LYS 3 245.038 9.070 6.909 25 HG2 LYS 3 1HG LYS 3 244.511 11.246 8.918 26 HG3 LYS 3 2HG LYS 3 243.451 10.881 7.557 27 HD2 LYS 3 1HD LYS 3 244.223 8.939 9.735 28 HD3 LYS 3 2HD LYS 3 242.702 9.830 9.661 29 HE2 LYS 3 1HE LYS 3 243.697 7.818 7.645 30 HE3 LYS 3 2HE LYS 3 242.414 7.563 8.824 31 HZ1 LYS 3 1HZ LYS 3 242.341 9.574 6.641 32 HZ2 LYS 3 2HZ LYS 3 241.099 9.249 7.738 33 HZ3 LYS 3 3HZ LYS 3 241.556 8.078 6.610 34 H LYS 4 H LYS 4 248.055 7.585 8.881 35 HA LYS 4 HA LYS 4 249.996 8.116 6.822 36 HB2 LYS 4 1HB LYS 4 249.781 5.993 8.950 37 HB3 LYS 4 2HB LYS 4 251.048 5.969 7.734 38 HG2 LYS 4 1HG LYS 4 251.930 6.948 9.717 39 HG3 LYS 4 2HG LYS 4 251.756 8.221 8.511 40 HD2 LYS 4 1HD LYS 4 249.594 8.846 9.582 41 HD3 LYS 4 2HD LYS 4 249.938 7.669 10.850 42 HE2 LYS 4 1HE LYS 4 250.566 9.903 11.568 43 HE3 LYS 4 2HE LYS 4 251.993 8.881 11.410 44 HZ1 LYS 4 1HZ LYS 4 252.487 9.907 9.305 45 HZ2 LYS 4 2HZ LYS 4 252.305 11.112 10.481 46 HZ3 LYS 4 3HZ LYS 4 251.068 10.823 9.368 47 H ARG 5 H ARG 5 247.262 6.055 7.251 48 HA ARG 5 HA ARG 5 248.137 4.243 5.145 49 HB2 ARG 5 1HB ARG 5 245.712 4.165 6.942 50 HB3 ARG 5 2HB ARG 5 246.126 2.931 5.758 51 HG2 ARG 5 1HG ARG 5 248.186 2.453 6.937 52 HG3 ARG 5 2HG ARG 5 247.840 3.733 8.098 53 HD2 ARG 5 1HD ARG 5 245.823 2.527 8.802 54 HD3 ARG 5 2HD ARG 5 246.201 1.243 7.653 55 HE ARG 5 HE ARG 5 248.442 1.361 9.130 56 HH11 ARG 5 1HH1 ARG 5 245.060 1.129 10.016 57 HH12 ARG 5 2HH1 ARG 5 245.382 0.283 11.496 58 HH21 ARG 5 1HH2 ARG 5 248.855 0.242 11.068 59 HH22 ARG 5 2HH2 ARG 5 247.530 -0.236 12.086 60 H THR 6 H THR 6 247.487 6.965 4.466 61 HA THR 6 HA THR 6 245.102 6.645 2.801 62 HB THR 6 HB THR 6 246.922 9.050 3.050 63 HG1 THR 6 HG1 THR 6 244.971 8.052 4.714 64 HG21 THR 6 1HG2 THR 6 245.013 10.288 2.142 65 HG22 THR 6 2HG2 THR 6 244.098 8.784 2.006 66 HG23 THR 6 3HG2 THR 6 245.543 9.030 1.025 67 H TYR 7 H TYR 7 248.512 6.525 2.716 68 HA TYR 7 HA TYR 7 248.538 6.532 -0.219 69 HB2 TYR 7 1HB TYR 7 250.770 7.062 1.755 70 HB3 TYR 7 2HB TYR 7 250.975 6.994 0.008 71 HD1 TYR 7 HD1 TYR 7 250.002 9.036 2.813 72 HD2 TYR 7 HD2 TYR 7 249.789 8.684 -1.419 73 HE1 TYR 7 HE1 TYR 7 249.435 11.421 2.649 74 HE2 TYR 7 HE2 TYR 7 249.232 11.065 -1.596 75 HH TYR 7 HH TYR 7 249.572 13.238 0.987 76 H CYS 8 H CYS 8 249.582 4.903 -1.303 77 HA CYS 8 HA CYS 8 249.151 2.323 -0.411 78 HB2 CYS 8 1HB CYS 8 249.312 2.762 -2.733 79 HB3 CYS 8 2HB CYS 8 250.922 3.440 -2.573 80 H THR 9 H THR 9 250.149 0.989 0.887 81 HA THR 9 HA THR 9 252.455 1.697 2.356 82 HB THR 9 HB THR 9 251.124 -1.004 2.071 83 HG1 THR 9 HG1 THR 9 250.454 0.061 4.346 84 HG21 THR 9 1HG2 THR 9 252.081 -1.424 4.316 85 HG22 THR 9 2HG2 THR 9 252.976 0.089 4.188 86 HG23 THR 9 3HG2 THR 9 253.312 -1.232 3.069 87 H TYR 10 H TYR 10 251.927 -0.303 -0.469 88 HA TYR 10 HA TYR 10 254.523 -1.444 -0.568 89 HB2 TYR 10 1HB TYR 10 252.253 -1.156 -2.494 90 HB3 TYR 10 2HB TYR 10 253.831 -1.635 -3.106 91 HD1 TYR 10 HD1 TYR 10 251.997 -2.583 0.019 92 HD2 TYR 10 HD2 TYR 10 253.732 -3.855 -3.649 93 HE1 TYR 10 HE1 TYR 10 251.531 -4.921 0.616 94 HE2 TYR 10 HE2 TYR 10 253.270 -6.194 -3.065 95 HH TYR 10 HH TYR 10 252.915 -7.544 -1.041 96 H CYS 11 H CYS 11 253.143 1.570 -1.595 97 HA CYS 11 HA CYS 11 255.432 2.353 -3.178 98 HB2 CYS 11 1HB CYS 11 252.880 3.703 -2.344 99 HB3 CYS 11 2HB CYS 11 254.199 4.648 -3.014 100 HA PRO 12 HA PRO 12 257.808 4.052 0.220 101 HB2 PRO 12 1HB PRO 12 258.784 5.993 -1.782 102 HB3 PRO 12 2HB PRO 12 259.696 4.843 -0.802 103 HG2 PRO 12 1HG PRO 12 259.335 4.483 -3.439 104 HG3 PRO 12 2HG PRO 12 259.403 3.122 -2.305 105 HD2 PRO 12 1HD PRO 12 257.039 4.374 -3.632 106 HD3 PRO 12 2HD PRO 12 257.354 2.668 -3.253 107 H SER 13 H SER 13 257.381 5.634 1.651 108 HA SER 13 HA SER 13 255.026 7.107 1.390 109 HB2 SER 13 1HB SER 13 257.260 7.552 3.378 110 HB3 SER 13 2HB SER 13 255.579 8.057 3.557 111 HG SER 13 HG SER 13 255.121 5.700 3.269 112 H LYS 14 H LYS 14 258.301 7.988 0.589 113 HA LYS 14 HA LYS 14 257.805 10.806 0.518 114 HB2 LYS 14 1HB LYS 14 260.047 9.032 -0.312 115 HB3 LYS 14 2HB LYS 14 259.966 10.639 -1.016 116 HG2 LYS 14 1HG LYS 14 261.398 10.667 0.911 117 HG3 LYS 14 2HG LYS 14 259.945 11.606 1.245 118 HD2 LYS 14 1HD LYS 14 259.010 9.670 2.455 119 HD3 LYS 14 2HD LYS 14 260.508 8.788 2.161 120 HE2 LYS 14 1HE LYS 14 261.753 10.482 3.409 121 HE3 LYS 14 2HE LYS 14 260.260 11.373 3.693 122 HZ1 LYS 14 1HZ LYS 14 260.868 8.639 4.676 123 HZ2 LYS 14 2HZ LYS 14 259.414 9.460 4.923 124 HZ3 LYS 14 3HZ LYS 14 260.843 10.047 5.606 125 H ILE 15 H ILE 15 257.125 8.216 -1.617 126 HA ILE 15 HA ILE 15 257.024 9.753 -4.034 127 HB ILE 15 HB ILE 15 255.749 7.110 -3.306 128 HG12 ILE 15 1HG1 ILE 15 258.208 7.092 -3.377 129 HG13 ILE 15 2HG1 ILE 15 257.516 6.130 -4.678 130 HG21 ILE 15 1HG2 ILE 15 255.933 8.405 -6.021 131 HG22 ILE 15 2HG2 ILE 15 254.462 8.200 -5.070 132 HG23 ILE 15 3HG2 ILE 15 255.321 6.786 -5.681 133 HD11 ILE 15 1HD1 ILE 15 257.914 7.995 -6.229 134 HD12 ILE 15 2HD1 ILE 15 259.395 7.393 -5.486 135 HD13 ILE 15 3HD1 ILE 15 258.671 8.897 -4.915 136 H ARG 16 H ARG 16 254.759 8.882 -1.502 137 HA ARG 16 HA ARG 16 252.671 9.578 -0.961 138 HB2 ARG 16 1HB ARG 16 253.364 11.939 -2.716 139 HB3 ARG 16 2HB ARG 16 251.991 11.858 -1.623 140 HG2 ARG 16 1HG ARG 16 253.528 11.638 0.274 141 HG3 ARG 16 2HG ARG 16 254.895 11.766 -0.835 142 HD2 ARG 16 1HD ARG 16 252.774 13.856 -0.362 143 HD3 ARG 16 2HD ARG 16 254.439 13.913 0.217 144 HE ARG 16 HE ARG 16 254.557 13.630 -2.541 145 HH11 ARG 16 1HH1 ARG 16 253.357 15.973 -0.239 146 HH12 ARG 16 2HH1 ARG 16 253.609 17.327 -1.295 147 HH21 ARG 16 1HH2 ARG 16 254.876 15.401 -3.936 148 HH22 ARG 16 2HH2 ARG 16 254.468 17.001 -3.401 149 H ARG 17 H ARG 17 252.443 7.635 -2.611 150 HA ARG 17 HA ARG 17 250.684 8.526 -4.785 151 HB2 ARG 17 1HB ARG 17 252.631 6.965 -5.300 152 HB3 ARG 17 2HB ARG 17 251.751 5.728 -4.409 153 HG2 ARG 17 1HG ARG 17 249.933 5.803 -5.956 154 HG3 ARG 17 2HG ARG 17 250.616 7.212 -6.769 155 HD2 ARG 17 1HD ARG 17 252.585 5.809 -7.389 156 HD3 ARG 17 2HD ARG 17 251.737 4.412 -6.720 157 HE ARG 17 HE ARG 17 250.038 5.656 -8.554 158 HH11 ARG 17 1HH1 ARG 17 253.074 3.909 -8.548 159 HH12 ARG 17 2HH1 ARG 17 252.864 3.285 -10.158 160 HH21 ARG 17 1HH2 ARG 17 249.766 4.856 -10.663 161 HH22 ARG 17 2HH2 ARG 17 250.983 3.829 -11.363 162 H LYS 18 H LYS 18 248.589 8.270 -4.603 163 HA LYS 18 HA LYS 18 247.526 7.571 -2.065 164 HB2 LYS 18 1HB LYS 18 246.114 8.225 -4.662 165 HB3 LYS 18 2HB LYS 18 245.319 8.071 -3.104 166 HG2 LYS 18 1HG LYS 18 245.581 10.386 -3.512 167 HG3 LYS 18 2HG LYS 18 246.779 9.958 -2.292 168 HD2 LYS 18 1HD LYS 18 248.517 9.892 -3.980 169 HD3 LYS 18 2HD LYS 18 247.333 10.212 -5.247 170 HE2 LYS 18 1HE LYS 18 246.900 12.406 -4.321 171 HE3 LYS 18 2HE LYS 18 247.985 12.079 -2.971 172 HZ1 LYS 18 1HZ LYS 18 248.740 12.289 -5.834 173 HZ2 LYS 18 2HZ LYS 18 249.802 11.840 -4.599 174 HZ3 LYS 18 3HZ LYS 18 249.123 13.388 -4.606 175 H ALA 19 H ALA 19 246.169 5.883 -1.498 176 HA ALA 19 HA ALA 19 246.443 3.515 -3.202 177 HB1 ALA 19 1HB ALA 19 245.666 3.695 -0.299 178 HB2 ALA 19 2HB ALA 19 247.291 3.374 -0.902 179 HB3 ALA 19 3HB ALA 19 245.995 2.221 -1.211 180 H ASN 20 H ASN 20 244.763 3.119 -4.486 181 HA ASN 20 HA ASN 20 242.071 3.879 -3.622 182 HB2 ASN 20 1HB ASN 20 243.061 2.895 -6.311 183 HB3 ASN 20 2HB ASN 20 241.399 3.351 -5.954 184 HD21 ASN 20 1HD2 ASN 20 243.235 4.470 -7.901 185 HD22 ASN 20 2HD2 ASN 20 243.397 6.147 -7.515 186 H ALA 21 H ALA 21 243.853 1.497 -2.830 187 HA ALA 21 HA ALA 21 241.641 -0.374 -2.668 188 HB1 ALA 21 1HB ALA 21 242.763 -1.156 -4.659 189 HB2 ALA 21 2HB ALA 21 243.088 -2.281 -3.339 190 HB3 ALA 21 3HB ALA 21 244.321 -1.122 -3.837 191 H SER 22 H SER 22 242.009 -1.985 -0.986 192 HA SER 22 HA SER 22 244.243 -1.444 0.806 193 HB2 SER 22 1HB SER 22 241.385 -1.481 1.796 194 HB3 SER 22 2HB SER 22 242.833 -1.177 2.751 195 HG SER 22 HG SER 22 242.649 0.502 0.619 196 H CYS 23 H CYS 23 245.041 -3.249 1.689 197 HA CYS 23 HA CYS 23 243.881 -5.780 0.990 198 HB2 CYS 23 1HB CYS 23 246.316 -5.419 1.018 199 HB3 CYS 23 2HB CYS 23 246.246 -5.117 2.748 200 H LYS 24 H LYS 24 242.092 -6.308 2.027 201 HA LYS 24 HA LYS 24 241.247 -5.320 4.495 202 HB2 LYS 24 1HB LYS 24 240.362 -7.803 3.020 203 HB3 LYS 24 2HB LYS 24 239.472 -7.025 4.324 204 HG2 LYS 24 1HG LYS 24 238.682 -5.398 2.992 205 HG3 LYS 24 2HG LYS 24 240.192 -5.257 2.092 206 HD2 LYS 24 1HD LYS 24 239.604 -7.384 0.919 207 HD3 LYS 24 2HD LYS 24 238.037 -7.336 1.725 208 HE2 LYS 24 1HE LYS 24 237.457 -5.292 0.636 209 HE3 LYS 24 2HE LYS 24 239.089 -5.101 0.004 210 HZ1 LYS 24 1HZ LYS 24 237.258 -7.312 -0.739 211 HZ2 LYS 24 2HZ LYS 24 238.777 -6.979 -1.418 212 HZ3 LYS 24 3HZ LYS 24 237.487 -5.908 -1.653 213 H LYS 25 H LYS 25 243.196 -8.091 3.722 214 HA LYS 25 HA LYS 25 242.848 -9.571 6.085 215 HB2 LYS 25 1HB LYS 25 245.072 -9.421 4.073 216 HB3 LYS 25 2HB LYS 25 245.193 -10.450 5.492 217 HG2 LYS 25 1HG LYS 25 243.208 -11.668 4.805 218 HG3 LYS 25 2HG LYS 25 243.032 -10.615 3.402 219 HD2 LYS 25 1HD LYS 25 245.150 -11.382 2.519 220 HD3 LYS 25 2HD LYS 25 245.426 -12.360 3.960 221 HE2 LYS 25 1HE LYS 25 244.661 -13.777 2.172 222 HE3 LYS 25 2HE LYS 25 243.409 -13.675 3.407 223 HZ1 LYS 25 1HZ LYS 25 242.286 -12.003 2.026 224 HZ2 LYS 25 2HZ LYS 25 242.433 -13.491 1.242 225 HZ3 LYS 25 3HZ LYS 25 243.457 -12.216 0.822 226 H CYS 26 H CYS 26 245.342 -7.136 5.267 227 HA CYS 26 HA CYS 26 246.174 -7.274 8.083 228 HB2 CYS 26 1HB CYS 26 248.382 -6.532 7.370 229 HB3 CYS 26 2HB CYS 26 247.906 -7.991 6.509 230 H LYS 27 H LYS 27 244.468 -5.370 6.026 231 HA LYS 27 HA LYS 27 243.660 -3.269 6.115 232 HB2 LYS 27 1HB LYS 27 244.827 -3.349 8.893 233 HB3 LYS 27 2HB LYS 27 243.921 -1.977 8.276 234 HG2 LYS 27 1HG LYS 27 242.320 -3.163 9.444 235 HG3 LYS 27 2HG LYS 27 242.069 -3.711 7.788 236 HD2 LYS 27 1HD LYS 27 241.998 -5.637 9.175 237 HD3 LYS 27 2HD LYS 27 243.544 -5.674 8.326 238 HE2 LYS 27 1HE LYS 27 243.844 -6.267 10.663 239 HE3 LYS 27 2HE LYS 27 244.648 -4.741 10.308 240 HZ1 LYS 27 1HZ LYS 27 243.417 -4.685 12.403 241 HZ2 LYS 27 2HZ LYS 27 241.978 -5.002 11.578 242 HZ3 LYS 27 3HZ LYS 27 242.810 -3.557 11.299 243 H LYS 28 H LYS 28 246.238 -3.764 4.993 244 HA LYS 28 HA LYS 28 247.438 -1.102 5.303 245 HB2 LYS 28 1HB LYS 28 248.598 -3.693 4.273 246 HB3 LYS 28 2HB LYS 28 249.385 -2.138 4.031 247 HG2 LYS 28 1HG LYS 28 249.601 -1.816 6.401 248 HG3 LYS 28 2HG LYS 28 248.668 -3.279 6.721 249 HD2 LYS 28 1HD LYS 28 250.394 -4.651 5.773 250 HD3 LYS 28 2HD LYS 28 251.293 -3.229 5.244 251 HE2 LYS 28 1HE LYS 28 252.242 -4.217 7.285 252 HE3 LYS 28 2HE LYS 28 251.670 -2.571 7.547 253 HZ1 LYS 28 1HZ LYS 28 251.029 -4.019 9.359 254 HZ2 LYS 28 2HZ LYS 28 250.219 -5.050 8.295 255 HZ3 LYS 28 3HZ LYS 28 249.653 -3.476 8.537 256 H VAL 29 H VAL 29 247.534 0.243 3.576 257 HA VAL 29 HA VAL 29 245.623 -0.407 1.500 258 HB VAL 29 HB VAL 29 245.798 2.006 0.910 259 HG11 VAL 29 1HG1 VAL 29 244.070 1.212 2.419 260 HG12 VAL 29 2HG1 VAL 29 244.635 2.806 2.920 261 HG13 VAL 29 3HG1 VAL 29 245.172 1.367 3.789 262 HG21 VAL 29 1HG2 VAL 29 246.953 3.517 2.436 263 HG22 VAL 29 2HG2 VAL 29 248.087 2.390 1.691 264 HG23 VAL 29 3HG2 VAL 29 247.560 2.139 3.354 265 H ILE 30 H ILE 30 246.004 -0.181 -0.721 266 HA ILE 30 HA ILE 30 248.817 -0.152 -1.554 267 HB ILE 30 HB ILE 30 248.282 -2.158 -3.045 268 HG12 ILE 30 1HG1 ILE 30 246.088 -2.513 -0.988 269 HG13 ILE 30 2HG1 ILE 30 245.832 -2.097 -2.676 270 HG21 ILE 30 1HG2 ILE 30 249.806 -2.277 -1.148 271 HG22 ILE 30 2HG2 ILE 30 248.864 -3.763 -1.288 272 HG23 ILE 30 3HG2 ILE 30 248.447 -2.566 -0.060 273 HD11 ILE 30 1HD1 ILE 30 245.426 -4.475 -2.141 274 HD12 ILE 30 2HD1 ILE 30 247.138 -4.636 -1.740 275 HD13 ILE 30 3HD1 ILE 30 246.649 -4.224 -3.383 276 H CYS 31 H CYS 31 249.131 0.257 -3.788 277 HA CYS 31 HA CYS 31 246.890 1.633 -5.053 278 HB2 CYS 31 1HB CYS 31 248.496 2.651 -6.517 279 HB3 CYS 31 2HB CYS 31 249.171 2.724 -4.896 280 H ARG 32 H ARG 32 246.261 1.153 -7.198 281 HA ARG 32 HA ARG 32 245.912 -1.617 -7.599 282 HB2 ARG 32 1HB ARG 32 245.307 0.735 -9.390 283 HB3 ARG 32 2HB ARG 32 244.820 -0.913 -9.747 284 HG2 ARG 32 1HG ARG 32 243.998 0.596 -7.278 285 HG3 ARG 32 2HG ARG 32 243.033 0.485 -8.749 286 HD2 ARG 32 1HD ARG 32 243.906 -1.814 -6.999 287 HD3 ARG 32 2HD ARG 32 242.282 -1.141 -7.106 288 HE ARG 32 HE ARG 32 243.445 -2.175 -9.569 289 HH11 ARG 32 1HH1 ARG 32 241.277 -2.691 -6.870 290 HH12 ARG 32 2HH1 ARG 32 240.404 -3.967 -7.653 291 HH21 ARG 32 1HH2 ARG 32 242.307 -3.862 -10.596 292 HH22 ARG 32 2HH2 ARG 32 240.983 -4.628 -9.778 293 H GLU 33 H GLU 33 248.427 0.452 -8.553 294 HA GLU 33 HA GLU 33 249.216 -1.133 -10.837 295 HB2 GLU 33 1HB GLU 33 249.580 1.373 -10.593 296 HB3 GLU 33 2HB GLU 33 250.841 0.985 -9.432 297 HG2 GLU 33 1HG GLU 33 252.043 -0.260 -11.153 298 HG3 GLU 33 2HG GLU 33 250.775 0.127 -12.316 299 H HIS 34 H HIS 34 249.730 -1.101 -7.436 300 HA HIS 34 HA HIS 34 252.135 -2.746 -7.646 301 HB2 HIS 34 1HB HIS 34 250.889 -1.145 -5.510 302 HB3 HIS 34 2HB HIS 34 251.571 -2.676 -4.971 303 HD2 HIS 34 HD2 HIS 34 254.150 -2.491 -7.134 304 HE1 HIS 34 HE1 HIS 34 255.135 0.793 -4.661 305 HE2 HIS 34 HE2 HIS 34 256.048 -0.983 -6.221 306 H ASN 35 H ASN 35 248.807 -2.953 -6.500 307 HA ASN 35 HA ASN 35 248.866 -5.830 -6.942 308 HB2 ASN 35 1HB ASN 35 248.437 -4.545 -4.277 309 HB3 ASN 35 2HB ASN 35 247.489 -5.970 -4.678 310 HD21 ASN 35 1HD2 ASN 35 249.621 -7.210 -6.242 311 HD22 ASN 35 2HD2 ASN 35 250.794 -7.751 -5.099 312 H ILE 36 H ILE 36 246.476 -6.653 -6.386 313 HA ILE 36 HA ILE 36 244.713 -4.895 -7.899 314 HB ILE 36 HB ILE 36 244.264 -7.718 -6.908 315 HG12 ILE 36 1HG1 ILE 36 244.921 -6.692 -9.678 316 HG13 ILE 36 2HG1 ILE 36 246.040 -7.534 -8.613 317 HG21 ILE 36 1HG2 ILE 36 242.163 -6.527 -7.167 318 HG22 ILE 36 2HG2 ILE 36 242.342 -7.738 -8.436 319 HG23 ILE 36 3HG2 ILE 36 242.622 -6.035 -8.798 320 HD11 ILE 36 1HD1 ILE 36 244.623 -9.521 -8.709 321 HD12 ILE 36 2HD1 ILE 36 245.163 -9.021 -10.311 322 HD13 ILE 36 3HD1 ILE 36 243.515 -8.674 -9.786 323 H ASP 37 H ASP 37 244.292 -6.922 -5.013 324 HA ASP 37 HA ASP 37 242.899 -4.733 -3.672 325 HB2 ASP 37 1HB ASP 37 241.119 -5.939 -4.801 326 HB3 ASP 37 2HB ASP 37 241.703 -7.469 -4.161 327 H MET 38 H MET 38 244.139 -8.031 -3.475 328 HA MET 38 HA MET 38 244.555 -7.698 -0.594 329 HB2 MET 38 1HB MET 38 244.875 -10.182 -2.297 330 HB3 MET 38 2HB MET 38 244.920 -10.106 -0.541 331 HG2 MET 38 1HG MET 38 242.582 -9.440 -0.494 332 HG3 MET 38 2HG MET 38 242.530 -9.466 -2.254 333 HE1 MET 38 1HE MET 38 244.202 -12.048 -2.997 334 HE2 MET 38 2HE MET 38 242.643 -11.636 -3.714 335 HE3 MET 38 3HE MET 38 242.916 -13.253 -3.067 336 H CYS 39 H CYS 39 246.572 -7.483 0.246 337 HA CYS 39 HA CYS 39 248.788 -7.317 -1.629 338 HB2 CYS 39 1HB CYS 39 249.798 -5.941 -0.143 339 HB3 CYS 39 2HB CYS 39 248.218 -5.854 0.623 340 H GLN 40 H GLN 40 250.748 -8.516 -1.302 341 HA GLN 40 HA GLN 40 250.072 -11.207 -0.335 342 HB2 GLN 40 1HB GLN 40 252.088 -10.372 -2.425 343 HB3 GLN 40 2HB GLN 40 251.702 -12.028 -1.970 344 HG2 GLN 40 1HG GLN 40 249.438 -11.756 -2.774 345 HG3 GLN 40 2HG GLN 40 249.753 -10.064 -3.153 346 HE21 GLN 40 1HE2 GLN 40 250.295 -13.362 -4.085 347 HE22 GLN 40 2HE2 GLN 40 250.943 -13.019 -5.654 348 H SER 41 H SER 41 251.205 -8.957 1.241 349 HA SER 41 HA SER 41 253.748 -10.219 2.017 350 HB2 SER 41 1HB SER 41 252.876 -7.343 2.332 351 HB3 SER 41 2HB SER 41 254.398 -8.009 2.920 352 HG SER 41 HG SER 41 254.230 -6.923 0.708 353 H CYS 42 H CYS 42 250.815 -10.634 2.948 354 HA CYS 42 HA CYS 42 251.537 -10.527 5.793 355 HB2 CYS 42 1HB CYS 42 249.096 -10.209 6.319 356 HB3 CYS 42 2HB CYS 42 249.886 -8.826 5.576 357 H PHE 43 H PHE 43 248.598 -11.849 4.350 358 HA PHE 43 HA PHE 43 249.564 -14.551 4.494 359 HB2 PHE 43 1HB PHE 43 247.670 -15.206 6.101 360 HB3 PHE 43 2HB PHE 43 249.096 -14.450 6.794 361 HD1 PHE 43 HD1 PHE 43 245.542 -14.027 6.024 362 HD2 PHE 43 HD2 PHE 43 248.990 -12.244 7.759 363 HE1 PHE 43 HE1 PHE 43 244.118 -12.354 7.120 364 HE2 PHE 43 HE2 PHE 43 247.571 -10.564 8.858 365 HZ PHE 43 HZ PHE 43 245.131 -10.618 8.541 Start of MODEL 18 1 H1 VAL 1 1H VAL 1 248.131 18.224 9.959 2 H2 VAL 1 2H VAL 1 247.079 19.360 9.283 3 H3 VAL 1 3H VAL 1 248.558 19.029 8.537 4 HA VAL 1 HA VAL 1 246.365 17.080 8.875 5 HB VAL 1 HB VAL 1 246.140 17.286 6.372 6 HG11 VAL 1 1HG1 VAL 1 245.506 19.757 7.984 7 HG12 VAL 1 2HG1 VAL 1 244.516 18.302 7.890 8 HG13 VAL 1 3HG1 VAL 1 244.754 19.302 6.457 9 HG21 VAL 1 1HG2 VAL 1 248.283 18.379 5.916 10 HG22 VAL 1 2HG2 VAL 1 247.744 19.809 6.794 11 HG23 VAL 1 3HG2 VAL 1 246.934 19.334 5.302 12 H MET 2 H MET 2 247.015 15.038 8.671 13 HA MET 2 HA MET 2 249.053 14.259 6.820 14 HB2 MET 2 1HB MET 2 250.500 15.023 8.640 15 HB3 MET 2 2HB MET 2 249.630 14.008 9.782 16 HG2 MET 2 1HG MET 2 251.758 13.019 9.135 17 HG3 MET 2 2HG MET 2 250.399 12.013 8.638 18 HE1 MET 2 1HE MET 2 251.882 10.620 6.955 19 HE2 MET 2 2HE MET 2 253.284 11.540 7.502 20 HE3 MET 2 3HE MET 2 252.968 11.356 5.778 21 H LYS 3 H LYS 3 248.377 12.396 6.027 22 HA LYS 3 HA LYS 3 247.036 10.485 7.814 23 HB2 LYS 3 1HB LYS 3 246.200 11.294 5.027 24 HB3 LYS 3 2HB LYS 3 245.580 9.874 5.857 25 HG2 LYS 3 1HG LYS 3 244.629 11.258 7.595 26 HG3 LYS 3 2HG LYS 3 245.324 12.703 6.854 27 HD2 LYS 3 1HD LYS 3 243.969 12.356 4.867 28 HD3 LYS 3 2HD LYS 3 243.307 10.873 5.558 29 HE2 LYS 3 1HE LYS 3 242.271 12.130 7.347 30 HE3 LYS 3 2HE LYS 3 243.007 13.620 6.763 31 HZ1 LYS 3 1HZ LYS 3 241.025 11.981 5.284 32 HZ2 LYS 3 2HZ LYS 3 241.726 13.416 4.731 33 HZ3 LYS 3 3HZ LYS 3 240.702 13.441 6.076 34 H LYS 4 H LYS 4 248.014 8.613 7.846 35 HA LYS 4 HA LYS 4 250.115 8.065 5.924 36 HB2 LYS 4 1HB LYS 4 249.272 6.506 8.370 37 HB3 LYS 4 2HB LYS 4 250.720 6.222 7.416 38 HG2 LYS 4 1HG LYS 4 251.540 8.459 8.043 39 HG3 LYS 4 2HG LYS 4 250.110 8.673 9.056 40 HD2 LYS 4 1HD LYS 4 250.763 6.651 10.328 41 HD3 LYS 4 2HD LYS 4 252.236 6.556 9.364 42 HE2 LYS 4 1HE LYS 4 252.764 7.615 11.447 43 HE3 LYS 4 2HE LYS 4 252.838 8.828 10.173 44 HZ1 LYS 4 1HZ LYS 4 250.585 8.426 12.061 45 HZ2 LYS 4 2HZ LYS 4 250.625 9.576 10.822 46 HZ3 LYS 4 3HZ LYS 4 251.712 9.688 12.110 47 H ARG 5 H ARG 5 247.142 6.556 7.109 48 HA ARG 5 HA ARG 5 247.440 4.287 5.377 49 HB2 ARG 5 1HB ARG 5 245.231 5.128 7.244 50 HB3 ARG 5 2HB ARG 5 245.161 3.664 6.271 51 HG2 ARG 5 1HG ARG 5 247.262 2.913 7.358 52 HG3 ARG 5 2HG ARG 5 247.167 4.323 8.411 53 HD2 ARG 5 1HD ARG 5 245.037 2.203 8.179 54 HD3 ARG 5 2HD ARG 5 246.274 2.243 9.434 55 HE ARG 5 HE ARG 5 245.139 4.653 9.715 56 HH11 ARG 5 1HH1 ARG 5 243.760 1.445 9.445 57 HH12 ARG 5 2HH1 ARG 5 242.347 1.837 10.371 58 HH21 ARG 5 1HH2 ARG 5 243.300 5.158 10.978 59 HH22 ARG 5 2HH2 ARG 5 242.086 3.944 11.245 60 H THR 6 H THR 6 246.561 7.325 4.633 61 HA THR 6 HA THR 6 244.506 6.592 2.714 62 HB THR 6 HB THR 6 245.948 9.235 3.055 63 HG1 THR 6 HG1 THR 6 243.464 9.444 3.855 64 HG21 THR 6 1HG2 THR 6 244.925 8.961 0.844 65 HG22 THR 6 2HG2 THR 6 244.067 10.171 1.800 66 HG23 THR 6 3HG2 THR 6 243.385 8.555 1.605 67 H TYR 7 H TYR 7 247.860 6.675 2.980 68 HA TYR 7 HA TYR 7 248.204 6.616 0.063 69 HB2 TYR 7 1HB TYR 7 250.074 7.479 2.263 70 HB3 TYR 7 2HB TYR 7 250.642 7.121 0.636 71 HD1 TYR 7 HD1 TYR 7 248.602 9.415 2.670 72 HD2 TYR 7 HD2 TYR 7 250.215 8.614 -1.179 73 HE1 TYR 7 HE1 TYR 7 248.047 11.702 1.966 74 HE2 TYR 7 HE2 TYR 7 249.676 10.896 -1.890 75 HH TYR 7 HH TYR 7 248.759 13.336 0.293 76 H CYS 8 H CYS 8 249.518 5.052 -0.825 77 HA CYS 8 HA CYS 8 249.151 2.479 0.217 78 HB2 CYS 8 1HB CYS 8 249.319 2.818 -2.133 79 HB3 CYS 8 2HB CYS 8 250.906 3.551 -1.982 80 H THR 9 H THR 9 250.193 1.366 1.665 81 HA THR 9 HA THR 9 252.438 2.347 3.068 82 HB THR 9 HB THR 9 251.323 -0.465 3.040 83 HG1 THR 9 HG1 THR 9 250.416 0.718 5.137 84 HG21 THR 9 1HG2 THR 9 252.905 1.025 5.135 85 HG22 THR 9 2HG2 THR 9 253.497 -0.301 4.135 86 HG23 THR 9 3HG2 THR 9 252.220 -0.590 5.316 87 H TYR 10 H TYR 10 252.078 0.203 0.351 88 HA TYR 10 HA TYR 10 254.756 -0.842 0.523 89 HB2 TYR 10 1HB TYR 10 252.593 -1.096 -1.562 90 HB3 TYR 10 2HB TYR 10 254.180 -1.835 -1.730 91 HD1 TYR 10 HD1 TYR 10 253.736 -2.026 1.632 92 HD2 TYR 10 HD2 TYR 10 252.064 -3.646 -1.928 93 HE1 TYR 10 HE1 TYR 10 252.987 -3.992 2.890 94 HE2 TYR 10 HE2 TYR 10 251.307 -5.617 -0.677 95 HH TYR 10 HH TYR 10 251.391 -5.772 2.757 96 H CYS 11 H CYS 11 253.262 1.908 -0.803 97 HA CYS 11 HA CYS 11 255.465 2.463 -2.615 98 HB2 CYS 11 1HB CYS 11 252.872 3.815 -1.969 99 HB3 CYS 11 2HB CYS 11 254.158 4.737 -2.734 100 HA PRO 12 HA PRO 12 257.923 4.406 0.535 101 HB2 PRO 12 1HB PRO 12 258.928 6.079 -1.695 102 HB3 PRO 12 2HB PRO 12 259.822 5.051 -0.573 103 HG2 PRO 12 1HG PRO 12 259.443 4.332 -3.126 104 HG3 PRO 12 2HG PRO 12 259.450 3.139 -1.814 105 HD2 PRO 12 1HD PRO 12 257.146 4.290 -3.323 106 HD3 PRO 12 2HD PRO 12 257.383 2.645 -2.697 107 H SER 13 H SER 13 257.806 6.227 1.756 108 HA SER 13 HA SER 13 255.494 7.796 1.503 109 HB2 SER 13 1HB SER 13 257.909 8.247 3.262 110 HB3 SER 13 2HB SER 13 256.319 8.973 3.485 111 HG SER 13 HG SER 13 255.779 6.472 3.333 112 H LYS 14 H LYS 14 258.703 8.292 0.307 113 HA LYS 14 HA LYS 14 258.378 11.108 -0.132 114 HB2 LYS 14 1HB LYS 14 260.367 9.139 -1.268 115 HB3 LYS 14 2HB LYS 14 260.424 10.874 -1.536 116 HG2 LYS 14 1HG LYS 14 260.638 9.507 1.136 117 HG3 LYS 14 2HG LYS 14 261.977 10.181 0.206 118 HD2 LYS 14 1HD LYS 14 260.903 12.406 0.344 119 HD3 LYS 14 2HD LYS 14 259.640 11.705 1.356 120 HE2 LYS 14 1HE LYS 14 261.320 11.079 3.019 121 HE3 LYS 14 2HE LYS 14 262.582 11.781 2.009 122 HZ1 LYS 14 1HZ LYS 14 261.479 13.937 2.231 123 HZ2 LYS 14 2HZ LYS 14 261.945 13.313 3.731 124 HZ3 LYS 14 3HZ LYS 14 260.324 13.248 3.257 125 H ILE 15 H ILE 15 257.338 8.277 -1.726 126 HA ILE 15 HA ILE 15 257.079 9.497 -4.335 127 HB ILE 15 HB ILE 15 256.000 6.886 -3.257 128 HG12 ILE 15 1HG1 ILE 15 258.433 6.925 -3.384 129 HG13 ILE 15 2HG1 ILE 15 257.780 5.866 -4.627 130 HG21 ILE 15 1HG2 ILE 15 255.540 6.280 -5.576 131 HG22 ILE 15 2HG2 ILE 15 256.042 7.889 -6.099 132 HG23 ILE 15 3HG2 ILE 15 254.610 7.697 -5.088 133 HD11 ILE 15 1HD1 ILE 15 259.599 7.150 -5.521 134 HD12 ILE 15 2HD1 ILE 15 258.835 8.654 -5.011 135 HD13 ILE 15 3HD1 ILE 15 258.092 7.673 -6.273 136 H ARG 16 H ARG 16 255.051 8.823 -1.542 137 HA ARG 16 HA ARG 16 252.934 9.441 -0.973 138 HB2 ARG 16 1HB ARG 16 253.642 11.728 -2.810 139 HB3 ARG 16 2HB ARG 16 252.179 11.685 -1.839 140 HG2 ARG 16 1HG ARG 16 253.517 11.604 0.193 141 HG3 ARG 16 2HG ARG 16 254.995 11.621 -0.776 142 HD2 ARG 16 1HD ARG 16 254.381 13.800 -1.682 143 HD3 ARG 16 2HD ARG 16 252.889 13.780 -0.746 144 HE ARG 16 HE ARG 16 254.861 13.467 1.111 145 HH11 ARG 16 1HH1 ARG 16 254.220 15.838 -1.386 146 HH12 ARG 16 2HH1 ARG 16 254.912 17.154 -0.487 147 HH21 ARG 16 1HH2 ARG 16 255.780 15.190 2.281 148 HH22 ARG 16 2HH2 ARG 16 255.800 16.783 1.595 149 H ARG 17 H ARG 17 252.430 7.458 -2.334 150 HA ARG 17 HA ARG 17 250.722 8.206 -4.603 151 HB2 ARG 17 1HB ARG 17 252.532 6.660 -5.194 152 HB3 ARG 17 2HB ARG 17 251.994 5.539 -3.951 153 HG2 ARG 17 1HG ARG 17 250.019 5.021 -5.136 154 HG3 ARG 17 2HG ARG 17 250.247 6.372 -6.248 155 HD2 ARG 17 1HD ARG 17 252.112 4.011 -6.030 156 HD3 ARG 17 2HD ARG 17 250.822 4.150 -7.224 157 HE ARG 17 HE ARG 17 252.039 6.269 -7.918 158 HH11 ARG 17 1HH1 ARG 17 253.706 3.488 -6.565 159 HH12 ARG 17 2HH1 ARG 17 255.192 3.827 -7.393 160 HH21 ARG 17 1HH2 ARG 17 253.999 6.715 -8.987 161 HH22 ARG 17 2HH2 ARG 17 255.360 5.659 -8.761 162 H LYS 18 H LYS 18 248.625 8.126 -4.288 163 HA LYS 18 HA LYS 18 247.489 7.513 -1.797 164 HB2 LYS 18 1HB LYS 18 246.253 7.953 -4.510 165 HB3 LYS 18 2HB LYS 18 245.284 7.636 -3.084 166 HG2 LYS 18 1HG LYS 18 245.275 9.966 -3.379 167 HG3 LYS 18 2HG LYS 18 246.379 9.657 -2.040 168 HD2 LYS 18 1HD LYS 18 248.262 10.129 -3.330 169 HD3 LYS 18 2HD LYS 18 247.393 9.909 -4.849 170 HE2 LYS 18 1HE LYS 18 247.890 12.280 -4.344 171 HE3 LYS 18 2HE LYS 18 246.169 11.947 -4.508 172 HZ1 LYS 18 1HZ LYS 18 247.663 12.310 -1.962 173 HZ2 LYS 18 2HZ LYS 18 246.035 11.864 -2.068 174 HZ3 LYS 18 3HZ LYS 18 246.531 13.371 -2.640 175 H ALA 19 H ALA 19 246.135 5.858 -1.121 176 HA ALA 19 HA ALA 19 246.370 3.356 -2.658 177 HB1 ALA 19 1HB ALA 19 245.899 3.685 0.300 178 HB2 ALA 19 2HB ALA 19 247.459 3.348 -0.446 179 HB3 ALA 19 3HB ALA 19 246.153 2.169 -0.566 180 H ASN 20 H ASN 20 244.547 2.950 -3.745 181 HA ASN 20 HA ASN 20 241.987 3.863 -2.729 182 HB2 ASN 20 1HB ASN 20 242.458 4.095 -5.129 183 HB3 ASN 20 2HB ASN 20 242.663 2.352 -5.268 184 HD21 ASN 20 1HD2 ASN 20 240.858 1.029 -5.312 185 HD22 ASN 20 2HD2 ASN 20 239.249 1.649 -5.464 186 H ALA 21 H ALA 21 243.876 1.000 -2.707 187 HA ALA 21 HA ALA 21 241.517 -0.573 -1.910 188 HB1 ALA 21 1HB ALA 21 242.736 -2.571 -2.655 189 HB2 ALA 21 2HB ALA 21 244.070 -1.547 -3.189 190 HB3 ALA 21 3HB ALA 21 242.494 -1.417 -3.968 191 H SER 22 H SER 22 241.970 -2.294 -0.332 192 HA SER 22 HA SER 22 244.276 -1.816 1.389 193 HB2 SER 22 1HB SER 22 241.448 -1.928 2.467 194 HB3 SER 22 2HB SER 22 242.925 -1.627 3.384 195 HG SER 22 HG SER 22 242.984 0.188 1.568 196 H CYS 23 H CYS 23 244.858 -3.639 2.631 197 HA CYS 23 HA CYS 23 243.735 -6.136 1.621 198 HB2 CYS 23 1HB CYS 23 246.195 -5.753 1.632 199 HB3 CYS 23 2HB CYS 23 246.140 -5.691 3.389 200 H LYS 24 H LYS 24 242.296 -7.222 2.706 201 HA LYS 24 HA LYS 24 241.007 -6.161 4.921 202 HB2 LYS 24 1HB LYS 24 240.054 -7.684 3.172 203 HB3 LYS 24 2HB LYS 24 240.859 -9.023 3.978 204 HG2 LYS 24 1HG LYS 24 238.589 -9.013 4.677 205 HG3 LYS 24 2HG LYS 24 239.566 -8.457 6.037 206 HD2 LYS 24 1HD LYS 24 239.006 -6.147 5.520 207 HD3 LYS 24 2HD LYS 24 238.073 -6.671 4.118 208 HE2 LYS 24 1HE LYS 24 236.561 -7.906 5.603 209 HE3 LYS 24 2HE LYS 24 237.487 -7.352 6.997 210 HZ1 LYS 24 1HZ LYS 24 236.016 -5.615 5.094 211 HZ2 LYS 24 2HZ LYS 24 236.917 -5.074 6.416 212 HZ3 LYS 24 3HZ LYS 24 235.525 -6.001 6.664 213 H LYS 25 H LYS 25 243.378 -8.796 4.796 214 HA LYS 25 HA LYS 25 242.871 -9.585 7.496 215 HB2 LYS 25 1HB LYS 25 244.948 -10.368 5.478 216 HB3 LYS 25 2HB LYS 25 245.035 -10.930 7.141 217 HG2 LYS 25 1HG LYS 25 242.803 -11.931 6.904 218 HG3 LYS 25 2HG LYS 25 242.765 -11.408 5.220 219 HD2 LYS 25 1HD LYS 25 244.588 -12.829 4.652 220 HD3 LYS 25 2HD LYS 25 244.924 -13.180 6.348 221 HE2 LYS 25 1HE LYS 25 243.796 -15.059 5.302 222 HE3 LYS 25 2HE LYS 25 242.764 -14.328 6.529 223 HZ1 LYS 25 1HZ LYS 25 241.575 -13.165 4.762 224 HZ2 LYS 25 2HZ LYS 25 241.513 -14.839 4.544 225 HZ3 LYS 25 3HZ LYS 25 242.553 -13.904 3.598 226 H CYS 26 H CYS 26 245.706 -7.981 5.986 227 HA CYS 26 HA CYS 26 246.811 -7.606 8.640 228 HB2 CYS 26 1HB CYS 26 248.803 -6.744 7.496 229 HB3 CYS 26 2HB CYS 26 248.323 -8.315 6.866 230 H LYS 27 H LYS 27 244.856 -5.867 6.499 231 HA LYS 27 HA LYS 27 243.853 -3.853 6.663 232 HB2 LYS 27 1HB LYS 27 245.269 -3.743 9.326 233 HB3 LYS 27 2HB LYS 27 244.139 -2.516 8.772 234 HG2 LYS 27 1HG LYS 27 243.429 -5.426 9.062 235 HG3 LYS 27 2HG LYS 27 243.176 -4.220 10.325 236 HD2 LYS 27 1HD LYS 27 241.738 -2.940 8.808 237 HD3 LYS 27 2HD LYS 27 241.989 -4.152 7.550 238 HE2 LYS 27 1HE LYS 27 239.849 -4.450 8.721 239 HE3 LYS 27 2HE LYS 27 240.917 -5.838 8.910 240 HZ1 LYS 27 1HZ LYS 27 241.506 -5.063 11.106 241 HZ2 LYS 27 2HZ LYS 27 239.827 -5.216 10.988 242 HZ3 LYS 27 3HZ LYS 27 240.542 -3.684 10.923 243 H LYS 28 H LYS 28 246.737 -4.268 5.703 244 HA LYS 28 HA LYS 28 247.735 -1.545 5.821 245 HB2 LYS 28 1HB LYS 28 248.724 -4.020 4.400 246 HB3 LYS 28 2HB LYS 28 249.468 -2.441 4.193 247 HG2 LYS 28 1HG LYS 28 249.985 -2.361 6.573 248 HG3 LYS 28 2HG LYS 28 249.219 -3.937 6.796 249 HD2 LYS 28 1HD LYS 28 250.853 -4.970 5.337 250 HD3 LYS 28 2HD LYS 28 251.584 -3.401 5.000 251 HE2 LYS 28 1HE LYS 28 252.221 -3.179 7.340 252 HE3 LYS 28 2HE LYS 28 251.447 -4.718 7.709 253 HZ1 LYS 28 1HZ LYS 28 253.032 -5.852 6.340 254 HZ2 LYS 28 2HZ LYS 28 253.874 -4.880 7.439 255 HZ3 LYS 28 3HZ LYS 28 253.719 -4.393 5.828 256 H VAL 29 H VAL 29 247.639 -0.073 4.192 257 HA VAL 29 HA VAL 29 245.636 -0.620 2.151 258 HB VAL 29 HB VAL 29 245.641 1.815 1.758 259 HG11 VAL 29 1HG1 VAL 29 244.092 0.854 3.364 260 HG12 VAL 29 2HG1 VAL 29 244.622 2.448 3.902 261 HG13 VAL 29 3HG1 VAL 29 245.300 0.997 4.641 262 HG21 VAL 29 1HG2 VAL 29 246.856 3.304 3.254 263 HG22 VAL 29 2HG2 VAL 29 247.972 2.270 2.363 264 HG23 VAL 29 3HG2 VAL 29 247.600 1.917 4.050 265 H ILE 30 H ILE 30 245.980 -0.342 -0.041 266 HA ILE 30 HA ILE 30 248.772 -0.127 -0.902 267 HB ILE 30 HB ILE 30 248.374 -2.184 -2.366 268 HG12 ILE 30 1HG1 ILE 30 246.151 -2.537 -0.341 269 HG13 ILE 30 2HG1 ILE 30 245.980 -2.423 -2.088 270 HG21 ILE 30 1HG2 ILE 30 248.592 -2.529 0.624 271 HG22 ILE 30 2HG2 ILE 30 249.917 -2.157 -0.481 272 HG23 ILE 30 3HG2 ILE 30 249.089 -3.712 -0.588 273 HD11 ILE 30 1HD1 ILE 30 247.262 -4.665 -0.549 274 HD12 ILE 30 2HD1 ILE 30 247.206 -4.549 -2.306 275 HD13 ILE 30 3HD1 ILE 30 245.709 -4.701 -1.386 276 H CYS 31 H CYS 31 249.065 0.444 -3.030 277 HA CYS 31 HA CYS 31 246.877 1.896 -4.224 278 HB2 CYS 31 1HB CYS 31 248.540 2.754 -5.760 279 HB3 CYS 31 2HB CYS 31 249.228 2.778 -4.144 280 H ARG 32 H ARG 32 246.444 1.682 -6.574 281 HA ARG 32 HA ARG 32 245.693 -0.969 -7.207 282 HB2 ARG 32 1HB ARG 32 245.675 1.585 -8.802 283 HB3 ARG 32 2HB ARG 32 245.102 0.059 -9.458 284 HG2 ARG 32 1HG ARG 32 243.400 -0.078 -7.743 285 HG3 ARG 32 2HG ARG 32 244.006 1.400 -6.993 286 HD2 ARG 32 1HD ARG 32 243.419 2.688 -8.936 287 HD3 ARG 32 2HD ARG 32 242.973 1.233 -9.820 288 HE ARG 32 HE ARG 32 241.283 1.117 -7.761 289 HH11 ARG 32 1HH1 ARG 32 242.178 3.815 -9.803 290 HH12 ARG 32 2HH1 ARG 32 240.615 4.564 -9.726 291 HH21 ARG 32 1HH2 ARG 32 239.208 2.111 -7.652 292 HH22 ARG 32 2HH2 ARG 32 238.933 3.602 -8.495 293 H GLU 33 H GLU 33 248.672 0.464 -7.433 294 HA GLU 33 HA GLU 33 249.499 -1.188 -9.708 295 HB2 GLU 33 1HB GLU 33 250.875 1.058 -8.245 296 HB3 GLU 33 2HB GLU 33 251.672 0.073 -9.462 297 HG2 GLU 33 1HG GLU 33 249.242 1.790 -9.891 298 HG3 GLU 33 2HG GLU 33 250.889 2.178 -10.385 299 H HIS 34 H HIS 34 249.261 -1.383 -6.404 300 HA HIS 34 HA HIS 34 251.486 -3.317 -6.280 301 HB2 HIS 34 1HB HIS 34 250.656 -1.207 -4.330 302 HB3 HIS 34 2HB HIS 34 251.316 -2.712 -3.707 303 HD2 HIS 34 HD2 HIS 34 253.615 -2.941 -6.149 304 HE1 HIS 34 HE1 HIS 34 255.052 0.535 -4.217 305 HE2 HIS 34 HE2 HIS 34 255.682 -1.459 -5.657 306 H ASN 35 H ASN 35 248.242 -3.097 -6.390 307 HA ASN 35 HA ASN 35 247.764 -4.971 -4.188 308 HB2 ASN 35 1HB ASN 35 245.497 -4.238 -4.138 309 HB3 ASN 35 2HB ASN 35 246.493 -2.794 -4.237 310 HD21 ASN 35 1HD2 ASN 35 243.680 -3.257 -4.988 311 HD22 ASN 35 2HD2 ASN 35 243.561 -2.792 -6.647 312 H ILE 36 H ILE 36 246.815 -6.905 -4.468 313 HA ILE 36 HA ILE 36 245.732 -7.536 -7.136 314 HB ILE 36 HB ILE 36 245.893 -9.925 -6.499 315 HG12 ILE 36 1HG1 ILE 36 247.369 -8.900 -4.060 316 HG13 ILE 36 2HG1 ILE 36 245.775 -9.640 -4.051 317 HG21 ILE 36 1HG2 ILE 36 247.685 -8.945 -7.787 318 HG22 ILE 36 2HG2 ILE 36 248.345 -10.120 -6.648 319 HG23 ILE 36 3HG2 ILE 36 248.482 -8.394 -6.313 320 HD11 ILE 36 1HD1 ILE 36 247.482 -11.208 -3.332 321 HD12 ILE 36 2HD1 ILE 36 248.340 -10.990 -4.858 322 HD13 ILE 36 3HD1 ILE 36 246.742 -11.735 -4.844 323 H ASP 37 H ASP 37 244.404 -5.872 -5.428 324 HA ASP 37 HA ASP 37 242.657 -5.466 -4.039 325 HB2 ASP 37 1HB ASP 37 241.697 -8.027 -5.320 326 HB3 ASP 37 2HB ASP 37 240.701 -7.064 -4.231 327 H MET 38 H MET 38 244.892 -6.683 -3.036 328 HA MET 38 HA MET 38 244.401 -7.531 -0.476 329 HB2 MET 38 1HB MET 38 243.290 -9.505 -1.478 330 HB3 MET 38 2HB MET 38 244.719 -9.834 -2.439 331 HG2 MET 38 1HG MET 38 245.982 -10.341 -0.428 332 HG3 MET 38 2HG MET 38 244.575 -9.958 0.565 333 HE1 MET 38 1HE MET 38 246.266 -12.729 0.636 334 HE2 MET 38 2HE MET 38 244.950 -13.889 0.809 335 HE3 MET 38 3HE MET 38 244.921 -12.382 1.723 336 H CYS 39 H CYS 39 246.541 -8.261 0.486 337 HA CYS 39 HA CYS 39 248.726 -7.517 -1.327 338 HB2 CYS 39 1HB CYS 39 249.911 -6.709 0.450 339 HB3 CYS 39 2HB CYS 39 248.301 -6.540 1.136 340 H GLN 40 H GLN 40 250.468 -8.879 -1.665 341 HA GLN 40 HA GLN 40 249.769 -11.644 -1.623 342 HB2 GLN 40 1HB GLN 40 251.930 -11.999 -2.748 343 HB3 GLN 40 2HB GLN 40 250.970 -10.746 -3.521 344 HG2 GLN 40 1HG GLN 40 252.317 -9.032 -2.446 345 HG3 GLN 40 2HG GLN 40 253.262 -10.274 -1.630 346 HE21 GLN 40 1HE2 GLN 40 253.272 -12.039 -3.950 347 HE22 GLN 40 2HE2 GLN 40 254.373 -11.335 -5.081 348 H SER 41 H SER 41 251.194 -9.663 0.659 349 HA SER 41 HA SER 41 252.935 -11.585 1.861 350 HB2 SER 41 1HB SER 41 253.179 -9.135 2.202 351 HB3 SER 41 2HB SER 41 251.657 -9.127 3.087 352 HG SER 41 HG SER 41 253.046 -10.974 4.249 353 H CYS 42 H CYS 42 249.541 -10.998 1.870 354 HA CYS 42 HA CYS 42 249.144 -12.826 4.129 355 HB2 CYS 42 1HB CYS 42 247.190 -11.128 2.566 356 HB3 CYS 42 2HB CYS 42 246.703 -12.287 3.795 357 H PHE 43 H PHE 43 249.759 -13.088 0.961 358 HA PHE 43 HA PHE 43 247.751 -15.091 0.322 359 HB2 PHE 43 1HB PHE 43 248.469 -13.434 -1.392 360 HB3 PHE 43 2HB PHE 43 250.093 -14.107 -1.329 361 HD1 PHE 43 HD1 PHE 43 246.606 -14.774 -2.297 362 HD2 PHE 43 HD2 PHE 43 250.639 -16.115 -2.480 363 HE1 PHE 43 HE1 PHE 43 245.984 -16.407 -4.029 364 HE2 PHE 43 HE2 PHE 43 250.024 -17.749 -4.211 365 HZ PHE 43 HZ PHE 43 247.692 -17.897 -4.989 Start of MODEL 19 1 H1 VAL 1 1H VAL 1 250.409 15.625 9.660 2 H2 VAL 1 2H VAL 1 250.337 13.989 10.074 3 H3 VAL 1 3H VAL 1 249.343 15.105 10.865 4 HA VAL 1 HA VAL 1 248.153 15.556 8.847 5 HB VAL 1 HB VAL 1 250.085 15.062 7.330 6 HG11 VAL 1 1HG1 VAL 1 249.322 12.187 7.822 7 HG12 VAL 1 2HG1 VAL 1 250.830 12.966 8.299 8 HG13 VAL 1 3HG1 VAL 1 250.450 12.752 6.591 9 HG21 VAL 1 1HG2 VAL 1 248.732 14.112 5.509 10 HG22 VAL 1 2HG2 VAL 1 247.864 15.357 6.407 11 HG23 VAL 1 3HG2 VAL 1 247.497 13.654 6.683 12 H MET 2 H MET 2 246.236 14.438 8.532 13 HA MET 2 HA MET 2 245.742 12.326 10.420 14 HB2 MET 2 1HB MET 2 244.089 14.094 10.086 15 HB3 MET 2 2HB MET 2 243.936 13.659 8.390 16 HG2 MET 2 1HG MET 2 242.069 12.832 9.717 17 HG3 MET 2 2HG MET 2 242.990 11.516 8.993 18 HE1 MET 2 1HE MET 2 241.770 9.822 10.624 19 HE2 MET 2 2HE MET 2 240.878 11.142 11.381 20 HE3 MET 2 3HE MET 2 241.755 9.982 12.379 21 H LYS 3 H LYS 3 245.762 10.232 10.048 22 HA LYS 3 HA LYS 3 245.817 8.208 9.055 23 HB2 LYS 3 1HB LYS 3 244.330 9.672 6.883 24 HB3 LYS 3 2HB LYS 3 244.655 7.945 6.835 25 HG2 LYS 3 1HG LYS 3 243.411 7.662 8.928 26 HG3 LYS 3 2HG LYS 3 243.065 9.391 8.943 27 HD2 LYS 3 1HD LYS 3 241.163 8.194 8.056 28 HD3 LYS 3 2HD LYS 3 241.910 9.148 6.776 29 HE2 LYS 3 1HE LYS 3 243.044 7.152 5.943 30 HE3 LYS 3 2HE LYS 3 242.330 6.196 7.239 31 HZ1 LYS 3 1HZ LYS 3 240.147 6.646 6.335 32 HZ2 LYS 3 2HZ LYS 3 241.129 5.950 5.149 33 HZ3 LYS 3 3HZ LYS 3 240.812 7.608 5.113 34 H LYS 4 H LYS 4 247.973 7.940 8.882 35 HA LYS 4 HA LYS 4 249.545 8.865 6.698 36 HB2 LYS 4 1HB LYS 4 249.958 6.487 8.526 37 HB3 LYS 4 2HB LYS 4 251.161 7.120 7.414 38 HG2 LYS 4 1HG LYS 4 249.986 8.615 9.748 39 HG3 LYS 4 2HG LYS 4 251.561 7.822 9.721 40 HD2 LYS 4 1HD LYS 4 252.169 9.292 7.787 41 HD3 LYS 4 2HD LYS 4 250.660 10.166 8.055 42 HE2 LYS 4 1HE LYS 4 252.526 11.313 9.117 43 HE3 LYS 4 2HE LYS 4 251.382 10.726 10.322 44 HZ1 LYS 4 1HZ LYS 4 253.924 9.382 9.576 45 HZ2 LYS 4 2HZ LYS 4 252.842 8.863 10.766 46 HZ3 LYS 4 3HZ LYS 4 253.684 10.313 10.965 47 H ARG 5 H ARG 5 247.437 6.210 7.289 48 HA ARG 5 HA ARG 5 248.262 4.668 5.009 49 HB2 ARG 5 1HB ARG 5 245.911 4.388 6.880 50 HB3 ARG 5 2HB ARG 5 246.319 3.235 5.616 51 HG2 ARG 5 1HG ARG 5 248.473 2.822 6.684 52 HG3 ARG 5 2HG ARG 5 248.064 3.976 7.952 53 HD2 ARG 5 1HD ARG 5 246.151 2.585 8.588 54 HD3 ARG 5 2HD ARG 5 246.583 1.427 7.329 55 HE ARG 5 HE ARG 5 248.717 1.956 9.172 56 HH11 ARG 5 1HH1 ARG 5 245.844 0.043 8.618 57 HH12 ARG 5 2HH1 ARG 5 246.351 -1.253 9.655 58 HH21 ARG 5 1HH2 ARG 5 249.395 0.252 10.531 59 HH22 ARG 5 2HH2 ARG 5 248.378 -1.138 10.734 60 H THR 6 H THR 6 247.692 7.173 4.181 61 HA THR 6 HA THR 6 245.235 6.825 2.595 62 HB THR 6 HB THR 6 246.894 9.327 3.024 63 HG1 THR 6 HG1 THR 6 245.816 9.255 4.868 64 HG21 THR 6 1HG2 THR 6 245.017 10.504 1.971 65 HG22 THR 6 2HG2 THR 6 244.216 8.960 1.676 66 HG23 THR 6 3HG2 THR 6 245.739 9.330 0.868 67 H TYR 7 H TYR 7 248.594 6.685 2.613 68 HA TYR 7 HA TYR 7 248.711 6.686 -0.322 69 HB2 TYR 7 1HB TYR 7 250.816 7.550 1.673 70 HB3 TYR 7 2HB TYR 7 251.125 7.329 -0.049 71 HD1 TYR 7 HD1 TYR 7 249.555 9.451 2.475 72 HD2 TYR 7 HD2 TYR 7 250.142 8.840 -1.693 73 HE1 TYR 7 HE1 TYR 7 248.756 11.732 2.032 74 HE2 TYR 7 HE2 TYR 7 249.358 11.119 -2.145 75 HH TYR 7 HH TYR 7 248.955 13.448 0.291 76 H CYS 8 H CYS 8 249.874 5.088 -1.299 77 HA CYS 8 HA CYS 8 249.507 2.555 -0.269 78 HB2 CYS 8 1HB CYS 8 249.664 2.875 -2.612 79 HB3 CYS 8 2HB CYS 8 251.269 3.568 -2.486 80 H THR 9 H THR 9 250.469 1.419 1.202 81 HA THR 9 HA THR 9 252.770 2.259 2.595 82 HB THR 9 HB THR 9 251.506 -0.489 2.585 83 HG1 THR 9 HG1 THR 9 250.746 1.959 3.759 84 HG21 THR 9 1HG2 THR 9 252.322 -0.591 4.905 85 HG22 THR 9 2HG2 THR 9 253.112 0.971 4.685 86 HG23 THR 9 3HG2 THR 9 253.643 -0.426 3.748 87 H TYR 10 H TYR 10 252.322 0.270 -0.196 88 HA TYR 10 HA TYR 10 254.939 -0.948 -0.044 89 HB2 TYR 10 1HB TYR 10 252.671 -1.069 -2.005 90 HB3 TYR 10 2HB TYR 10 254.262 -1.673 -2.453 91 HD1 TYR 10 HD1 TYR 10 252.110 -1.918 0.605 92 HD2 TYR 10 HD2 TYR 10 254.389 -3.953 -2.349 93 HE1 TYR 10 HE1 TYR 10 251.621 -4.056 1.711 94 HE2 TYR 10 HE2 TYR 10 253.909 -6.100 -1.252 95 HH TYR 10 HH TYR 10 253.270 -6.952 0.912 96 H CYS 11 H CYS 11 253.579 1.937 -1.250 97 HA CYS 11 HA CYS 11 255.725 2.407 -3.164 98 HB2 CYS 11 1HB CYS 11 253.181 3.805 -2.455 99 HB3 CYS 11 2HB CYS 11 254.463 4.733 -3.216 100 HA PRO 12 HA PRO 12 258.093 4.918 -0.326 101 HB2 PRO 12 1HB PRO 12 258.908 6.680 -2.489 102 HB3 PRO 12 2HB PRO 12 259.870 5.489 -1.616 103 HG2 PRO 12 1HG PRO 12 259.163 5.202 -4.229 104 HG3 PRO 12 2HG PRO 12 259.446 3.832 -3.141 105 HD2 PRO 12 1HD PRO 12 256.860 5.042 -4.033 106 HD3 PRO 12 2HD PRO 12 257.292 3.333 -3.814 107 H SER 13 H SER 13 257.470 6.522 0.949 108 HA SER 13 HA SER 13 255.012 7.757 0.583 109 HB2 SER 13 1HB SER 13 257.172 8.703 2.465 110 HB3 SER 13 2HB SER 13 255.424 8.839 2.668 111 HG SER 13 HG SER 13 256.349 7.098 3.871 112 H LYS 14 H LYS 14 258.224 8.915 -0.210 113 HA LYS 14 HA LYS 14 257.467 11.654 -0.470 114 HB2 LYS 14 1HB LYS 14 259.890 10.056 -1.113 115 HB3 LYS 14 2HB LYS 14 259.694 11.602 -1.922 116 HG2 LYS 14 1HG LYS 14 261.047 11.841 0.069 117 HG3 LYS 14 2HG LYS 14 259.530 12.719 0.244 118 HD2 LYS 14 1HD LYS 14 258.624 10.936 1.616 119 HD3 LYS 14 2HD LYS 14 260.089 9.980 1.376 120 HE2 LYS 14 1HE LYS 14 259.965 12.674 2.727 121 HE3 LYS 14 2HE LYS 14 260.054 11.123 3.559 122 HZ1 LYS 14 1HZ LYS 14 262.225 12.132 3.409 123 HZ2 LYS 14 2HZ LYS 14 262.108 12.241 1.728 124 HZ3 LYS 14 3HZ LYS 14 262.191 10.723 2.472 125 H ILE 15 H ILE 15 256.931 8.944 -2.438 126 HA ILE 15 HA ILE 15 256.841 10.468 -4.907 127 HB ILE 15 HB ILE 15 255.882 7.639 -4.450 128 HG12 ILE 15 1HG1 ILE 15 258.251 7.852 -3.846 129 HG13 ILE 15 2HG1 ILE 15 258.062 6.920 -5.326 130 HG21 ILE 15 1HG2 ILE 15 255.043 8.741 -6.494 131 HG22 ILE 15 2HG2 ILE 15 256.113 7.383 -6.845 132 HG23 ILE 15 3HG2 ILE 15 256.710 9.035 -6.993 133 HD11 ILE 15 1HD1 ILE 15 259.939 8.431 -5.493 134 HD12 ILE 15 2HD1 ILE 15 258.896 9.806 -5.131 135 HD13 ILE 15 3HD1 ILE 15 258.676 8.903 -6.629 136 H ARG 16 H ARG 16 254.827 9.686 -2.313 137 HA ARG 16 HA ARG 16 252.733 10.279 -1.708 138 HB2 ARG 16 1HB ARG 16 253.032 12.280 -3.952 139 HB3 ARG 16 2HB ARG 16 251.831 12.354 -2.669 140 HG2 ARG 16 1HG ARG 16 254.810 12.449 -2.234 141 HG3 ARG 16 2HG ARG 16 253.757 13.862 -2.318 142 HD2 ARG 16 1HD ARG 16 252.590 13.211 -0.347 143 HD3 ARG 16 2HD ARG 16 253.356 11.624 -0.344 144 HE ARG 16 HE ARG 16 255.423 13.424 -0.184 145 HH11 ARG 16 1HH1 ARG 16 252.570 12.745 1.730 146 HH12 ARG 16 2HH1 ARG 16 253.318 13.179 3.230 147 HH21 ARG 16 1HH2 ARG 16 256.413 13.980 1.790 148 HH22 ARG 16 2HH2 ARG 16 255.502 13.878 3.263 149 H ARG 17 H ARG 17 252.785 8.062 -3.396 150 HA ARG 17 HA ARG 17 250.684 8.404 -5.350 151 HB2 ARG 17 1HB ARG 17 252.146 5.937 -4.399 152 HB3 ARG 17 2HB ARG 17 250.889 5.917 -5.628 153 HG2 ARG 17 1HG ARG 17 252.265 7.467 -6.989 154 HG3 ARG 17 2HG ARG 17 253.543 7.325 -5.781 155 HD2 ARG 17 1HD ARG 17 253.567 4.878 -6.160 156 HD3 ARG 17 2HD ARG 17 252.379 5.097 -7.445 157 HE ARG 17 HE ARG 17 254.249 6.682 -8.352 158 HH11 ARG 17 1HH1 ARG 17 254.632 3.558 -6.815 159 HH12 ARG 17 2HH1 ARG 17 256.096 3.177 -7.669 160 HH21 ARG 17 1HH2 ARG 17 256.193 6.187 -9.460 161 HH22 ARG 17 2HH2 ARG 17 256.978 4.667 -9.174 162 H LYS 18 H LYS 18 248.628 8.321 -4.924 163 HA LYS 18 HA LYS 18 247.589 7.904 -2.338 164 HB2 LYS 18 1HB LYS 18 246.114 7.851 -4.979 165 HB3 LYS 18 2HB LYS 18 245.393 8.091 -3.396 166 HG2 LYS 18 1HG LYS 18 247.434 9.966 -4.552 167 HG3 LYS 18 2HG LYS 18 245.701 10.148 -4.820 168 HD2 LYS 18 1HD LYS 18 245.413 10.193 -2.333 169 HD3 LYS 18 2HD LYS 18 247.173 10.237 -2.192 170 HE2 LYS 18 1HE LYS 18 247.225 12.296 -3.511 171 HE3 LYS 18 2HE LYS 18 245.471 12.253 -3.652 172 HZ1 LYS 18 1HZ LYS 18 246.037 13.760 -1.932 173 HZ2 LYS 18 2HZ LYS 18 247.064 12.647 -1.182 174 HZ3 LYS 18 3HZ LYS 18 245.390 12.387 -1.186 175 H ALA 19 H ALA 19 246.597 6.169 -1.402 176 HA ALA 19 HA ALA 19 246.816 3.612 -2.811 177 HB1 ALA 19 1HB ALA 19 246.532 2.566 -0.667 178 HB2 ALA 19 2HB ALA 19 246.142 4.115 0.082 179 HB3 ALA 19 3HB ALA 19 247.767 3.817 -0.533 180 H ASN 20 H ASN 20 245.072 3.445 -4.126 181 HA ASN 20 HA ASN 20 242.448 4.252 -3.197 182 HB2 ASN 20 1HB ASN 20 243.438 3.129 -5.817 183 HB3 ASN 20 2HB ASN 20 241.730 3.387 -5.486 184 HD21 ASN 20 1HD2 ASN 20 244.830 4.958 -5.913 185 HD22 ASN 20 2HD2 ASN 20 244.193 6.534 -6.230 186 H ALA 21 H ALA 21 244.265 1.642 -2.610 187 HA ALA 21 HA ALA 21 241.901 -0.024 -2.174 188 HB1 ALA 21 1HB ALA 21 242.876 -0.877 -4.218 189 HB2 ALA 21 2HB ALA 21 243.147 -2.027 -2.908 190 HB3 ALA 21 3HB ALA 21 244.459 -0.982 -3.452 191 H SER 22 H SER 22 242.329 -1.756 -0.596 192 HA SER 22 HA SER 22 244.652 -1.383 1.100 193 HB2 SER 22 1HB SER 22 242.924 0.203 1.964 194 HB3 SER 22 2HB SER 22 241.846 -1.165 2.221 195 HG SER 22 HG SER 22 244.414 -1.263 3.333 196 H CYS 23 H CYS 23 245.291 -3.243 2.006 197 HA CYS 23 HA CYS 23 244.163 -5.666 1.054 198 HB2 CYS 23 1HB CYS 23 246.574 -5.367 1.473 199 HB3 CYS 23 2HB CYS 23 246.245 -5.212 3.195 200 H LYS 24 H LYS 24 242.582 -6.783 1.853 201 HA LYS 24 HA LYS 24 240.935 -5.788 3.858 202 HB2 LYS 24 1HB LYS 24 240.971 -8.612 2.793 203 HB3 LYS 24 2HB LYS 24 239.610 -7.787 3.537 204 HG2 LYS 24 1HG LYS 24 240.910 -6.922 0.960 205 HG3 LYS 24 2HG LYS 24 239.478 -7.945 1.062 206 HD2 LYS 24 1HD LYS 24 238.232 -6.191 2.129 207 HD3 LYS 24 2HD LYS 24 239.674 -5.183 2.252 208 HE2 LYS 24 1HE LYS 24 238.156 -4.530 0.399 209 HE3 LYS 24 2HE LYS 24 239.784 -4.942 -0.131 210 HZ1 LYS 24 1HZ LYS 24 239.067 -6.955 -1.023 211 HZ2 LYS 24 2HZ LYS 24 237.840 -5.868 -1.453 212 HZ3 LYS 24 3HZ LYS 24 237.604 -6.935 -0.166 213 H LYS 25 H LYS 25 243.455 -8.244 4.066 214 HA LYS 25 HA LYS 25 242.486 -9.245 6.577 215 HB2 LYS 25 1HB LYS 25 243.686 -10.662 4.905 216 HB3 LYS 25 2HB LYS 25 245.161 -9.787 5.291 217 HG2 LYS 25 1HG LYS 25 245.005 -10.547 7.610 218 HG3 LYS 25 2HG LYS 25 243.532 -11.433 7.218 219 HD2 LYS 25 1HD LYS 25 244.802 -12.791 5.608 220 HD3 LYS 25 2HD LYS 25 246.271 -11.918 6.046 221 HE2 LYS 25 1HE LYS 25 244.590 -13.611 7.895 222 HE3 LYS 25 2HE LYS 25 246.142 -14.069 7.197 223 HZ1 LYS 25 1HZ LYS 25 245.630 -11.893 9.149 224 HZ2 LYS 25 2HZ LYS 25 247.111 -12.123 8.372 225 HZ3 LYS 25 3HZ LYS 25 246.510 -13.314 9.408 226 H CYS 26 H CYS 26 245.346 -7.319 5.618 227 HA CYS 26 HA CYS 26 245.996 -7.049 8.458 228 HB2 CYS 26 1HB CYS 26 248.200 -6.273 7.716 229 HB3 CYS 26 2HB CYS 26 247.799 -7.837 7.018 230 H LYS 27 H LYS 27 244.470 -5.311 6.024 231 HA LYS 27 HA LYS 27 243.545 -3.259 5.963 232 HB2 LYS 27 1HB LYS 27 244.514 -3.087 8.813 233 HB3 LYS 27 2HB LYS 27 243.506 -1.872 8.040 234 HG2 LYS 27 1HG LYS 27 241.760 -3.559 7.679 235 HG3 LYS 27 2HG LYS 27 242.771 -4.760 8.482 236 HD2 LYS 27 1HD LYS 27 241.102 -3.886 10.016 237 HD3 LYS 27 2HD LYS 27 242.722 -3.421 10.535 238 HE2 LYS 27 1HE LYS 27 242.407 -1.206 9.557 239 HE3 LYS 27 2HE LYS 27 240.797 -1.670 9.007 240 HZ1 LYS 27 1HZ LYS 27 240.718 -0.386 11.055 241 HZ2 LYS 27 2HZ LYS 27 241.675 -1.537 11.838 242 HZ3 LYS 27 3HZ LYS 27 240.128 -1.951 11.303 243 H LYS 28 H LYS 28 246.563 -3.771 5.527 244 HA LYS 28 HA LYS 28 247.623 -1.089 5.691 245 HB2 LYS 28 1HB LYS 28 248.607 -3.583 4.290 246 HB3 LYS 28 2HB LYS 28 249.445 -2.040 4.209 247 HG2 LYS 28 1HG LYS 28 249.756 -2.069 6.626 248 HG3 LYS 28 2HG LYS 28 248.897 -3.611 6.721 249 HD2 LYS 28 1HD LYS 28 250.597 -4.668 5.349 250 HD3 LYS 28 2HD LYS 28 251.431 -3.127 5.155 251 HE2 LYS 28 1HE LYS 28 251.817 -3.051 7.579 252 HE3 LYS 28 2HE LYS 28 251.013 -4.609 7.749 253 HZ1 LYS 28 1HZ LYS 28 253.476 -4.125 6.160 254 HZ2 LYS 28 2HZ LYS 28 252.719 -5.621 6.401 255 HZ3 LYS 28 3HZ LYS 28 253.431 -4.814 7.704 256 H VAL 29 H VAL 29 248.025 0.270 3.856 257 HA VAL 29 HA VAL 29 245.939 -0.101 1.842 258 HB VAL 29 HB VAL 29 246.268 2.308 1.332 259 HG11 VAL 29 1HG1 VAL 29 245.600 1.596 4.180 260 HG12 VAL 29 2HG1 VAL 29 244.494 1.605 2.807 261 HG13 VAL 29 3HG1 VAL 29 245.185 3.118 3.392 262 HG21 VAL 29 1HG2 VAL 29 247.522 3.701 2.887 263 HG22 VAL 29 2HG2 VAL 29 248.581 2.527 2.108 264 HG23 VAL 29 3HG2 VAL 29 248.047 2.265 3.767 265 H ILE 30 H ILE 30 246.323 -0.021 -0.331 266 HA ILE 30 HA ILE 30 249.122 -0.036 -1.204 267 HB ILE 30 HB ILE 30 248.581 -2.075 -2.618 268 HG12 ILE 30 1HG1 ILE 30 246.315 -2.317 -0.624 269 HG13 ILE 30 2HG1 ILE 30 246.129 -1.967 -2.336 270 HG21 ILE 30 1HG2 ILE 30 248.659 -2.412 0.380 271 HG22 ILE 30 2HG2 ILE 30 250.052 -2.185 -0.681 272 HG23 ILE 30 3HG2 ILE 30 249.076 -3.651 -0.805 273 HD11 ILE 30 1HD1 ILE 30 245.647 -4.307 -1.736 274 HD12 ILE 30 2HD1 ILE 30 247.328 -4.494 -1.231 275 HD13 ILE 30 3HD1 ILE 30 246.944 -4.142 -2.916 276 H CYS 31 H CYS 31 249.397 0.329 -3.448 277 HA CYS 31 HA CYS 31 247.167 1.741 -4.671 278 HB2 CYS 31 1HB CYS 31 248.756 2.626 -6.237 279 HB3 CYS 31 2HB CYS 31 249.495 2.725 -4.647 280 H ARG 32 H ARG 32 246.373 1.226 -6.718 281 HA ARG 32 HA ARG 32 246.039 -1.552 -7.161 282 HB2 ARG 32 1HB ARG 32 245.229 0.857 -8.791 283 HB3 ARG 32 2HB ARG 32 244.734 -0.788 -9.165 284 HG2 ARG 32 1HG ARG 32 244.166 0.524 -6.524 285 HG3 ARG 32 2HG ARG 32 243.070 0.617 -7.904 286 HD2 ARG 32 1HD ARG 32 244.044 -1.955 -6.663 287 HD3 ARG 32 2HD ARG 32 242.506 -1.188 -6.283 288 HE ARG 32 HE ARG 32 242.892 -1.675 -9.090 289 HH11 ARG 32 1HH1 ARG 32 241.828 -3.092 -6.075 290 HH12 ARG 32 2HH1 ARG 32 240.751 -4.221 -6.836 291 HH21 ARG 32 1HH2 ARG 32 241.488 -3.144 -10.102 292 HH22 ARG 32 2HH2 ARG 32 240.552 -4.247 -9.138 293 H GLU 33 H GLU 33 248.496 0.505 -8.055 294 HA GLU 33 HA GLU 33 249.195 -0.905 -10.492 295 HB2 GLU 33 1HB GLU 33 250.542 1.324 -8.966 296 HB3 GLU 33 2HB GLU 33 251.223 0.591 -10.411 297 HG2 GLU 33 1HG GLU 33 248.559 1.981 -10.267 298 HG3 GLU 33 2HG GLU 33 250.052 2.696 -10.873 299 H HIS 34 H HIS 34 249.807 -1.060 -7.113 300 HA HIS 34 HA HIS 34 252.238 -2.634 -7.481 301 HB2 HIS 34 1HB HIS 34 251.065 -1.132 -5.266 302 HB3 HIS 34 2HB HIS 34 251.619 -2.730 -4.776 303 HD2 HIS 34 HD2 HIS 34 254.292 -2.754 -6.736 304 HE1 HIS 34 HE1 HIS 34 255.374 0.564 -4.352 305 HE2 HIS 34 HE2 HIS 34 256.243 -1.324 -5.808 306 H ASN 35 H ASN 35 249.107 -3.008 -5.845 307 HA ASN 35 HA ASN 35 249.276 -5.897 -6.375 308 HB2 ASN 35 1HB ASN 35 248.791 -4.509 -3.763 309 HB3 ASN 35 2HB ASN 35 248.007 -6.050 -4.066 310 HD21 ASN 35 1HD2 ASN 35 251.178 -5.355 -5.368 311 HD22 ASN 35 2HD2 ASN 35 252.048 -6.406 -4.308 312 H ILE 36 H ILE 36 246.864 -6.730 -5.457 313 HA ILE 36 HA ILE 36 245.059 -5.282 -7.220 314 HB ILE 36 HB ILE 36 245.068 -7.564 -7.706 315 HG12 ILE 36 1HG1 ILE 36 242.767 -8.371 -7.115 316 HG13 ILE 36 2HG1 ILE 36 242.612 -6.971 -6.058 317 HG21 ILE 36 1HG2 ILE 36 244.608 -9.354 -6.048 318 HG22 ILE 36 2HG2 ILE 36 244.774 -8.150 -4.775 319 HG23 ILE 36 3HG2 ILE 36 246.138 -8.511 -5.824 320 HD11 ILE 36 1HD1 ILE 36 243.086 -6.876 -9.027 321 HD12 ILE 36 2HD1 ILE 36 242.879 -5.488 -7.959 322 HD13 ILE 36 3HD1 ILE 36 241.543 -6.611 -8.216 323 H ASP 37 H ASP 37 243.771 -7.023 -4.437 324 HA ASP 37 HA ASP 37 243.337 -4.484 -3.029 325 HB2 ASP 37 1HB ASP 37 241.076 -5.068 -2.480 326 HB3 ASP 37 2HB ASP 37 241.243 -5.272 -4.220 327 H MET 38 H MET 38 245.162 -6.844 -2.919 328 HA MET 38 HA MET 38 245.032 -7.321 -0.074 329 HB2 MET 38 1HB MET 38 243.641 -9.137 -0.990 330 HB3 MET 38 2HB MET 38 244.947 -9.595 -2.072 331 HG2 MET 38 1HG MET 38 246.328 -10.237 -0.198 332 HG3 MET 38 2HG MET 38 245.099 -9.678 0.934 333 HE1 MET 38 1HE MET 38 244.519 -13.272 -1.904 334 HE2 MET 38 2HE MET 38 245.984 -12.293 -1.851 335 HE3 MET 38 3HE MET 38 244.481 -11.597 -2.453 336 H CYS 39 H CYS 39 247.042 -7.553 0.760 337 HA CYS 39 HA CYS 39 249.250 -7.105 -1.050 338 HB2 CYS 39 1HB CYS 39 250.465 -6.410 0.796 339 HB3 CYS 39 2HB CYS 39 248.828 -6.047 1.328 340 H GLN 40 H GLN 40 251.221 -8.416 -0.904 341 HA GLN 40 HA GLN 40 250.469 -11.160 -1.261 342 HB2 GLN 40 1HB GLN 40 253.155 -9.811 -1.526 343 HB3 GLN 40 2HB GLN 40 252.802 -11.464 -2.010 344 HG2 GLN 40 1HG GLN 40 251.096 -10.578 -3.581 345 HG3 GLN 40 2HG GLN 40 251.625 -8.950 -3.166 346 HE21 GLN 40 1HE2 GLN 40 253.643 -8.232 -3.878 347 HE22 GLN 40 2HE2 GLN 40 254.519 -9.052 -5.123 348 H SER 41 H SER 41 251.014 -9.621 1.489 349 HA SER 41 HA SER 41 252.512 -11.832 2.708 350 HB2 SER 41 1HB SER 41 251.935 -9.046 3.734 351 HB3 SER 41 2HB SER 41 252.784 -10.293 4.649 352 HG SER 41 HG SER 41 254.387 -10.308 3.040 353 H CYS 42 H CYS 42 249.517 -11.442 1.941 354 HA CYS 42 HA CYS 42 248.530 -12.560 4.474 355 HB2 CYS 42 1HB CYS 42 247.133 -10.614 2.644 356 HB3 CYS 42 2HB CYS 42 246.271 -11.587 3.832 357 H PHE 43 H PHE 43 247.208 -14.303 4.346 358 HA PHE 43 HA PHE 43 246.344 -16.228 3.549 359 HB2 PHE 43 1HB PHE 43 245.589 -14.364 1.303 360 HB3 PHE 43 2HB PHE 43 245.081 -16.047 1.347 361 HD1 PHE 43 HD1 PHE 43 243.599 -16.839 3.157 362 HD2 PHE 43 HD2 PHE 43 244.528 -12.716 2.653 363 HE1 PHE 43 HE1 PHE 43 241.666 -16.237 4.554 364 HE2 PHE 43 HE2 PHE 43 242.595 -12.108 4.049 365 HZ PHE 43 HZ PHE 43 241.164 -13.871 5.001 Start of MODEL 20 1 H1 VAL 1 1H VAL 1 245.368 13.105 11.203 2 H2 VAL 1 2H VAL 1 245.324 13.527 12.839 3 H3 VAL 1 3H VAL 1 246.236 12.198 12.334 4 HA VAL 1 HA VAL 1 246.744 15.030 11.628 5 HB VAL 1 HB VAL 1 248.408 13.172 13.344 6 HG11 VAL 1 1HG1 VAL 1 249.705 15.179 13.862 7 HG12 VAL 1 2HG1 VAL 1 248.697 16.118 12.759 8 HG13 VAL 1 3HG1 VAL 1 249.725 14.827 12.134 9 HG21 VAL 1 1HG2 VAL 1 246.665 15.487 14.186 10 HG22 VAL 1 2HG2 VAL 1 247.747 14.575 15.239 11 HG23 VAL 1 3HG2 VAL 1 246.353 13.781 14.508 12 H MET 2 H MET 2 247.771 11.645 11.378 13 HA MET 2 HA MET 2 249.416 12.385 9.048 14 HB2 MET 2 1HB MET 2 249.612 9.908 10.778 15 HB3 MET 2 2HB MET 2 250.675 10.323 9.441 16 HG2 MET 2 1HG MET 2 250.401 11.809 12.045 17 HG3 MET 2 2HG MET 2 251.749 10.786 11.550 18 HE1 MET 2 1HE MET 2 253.458 12.716 12.130 19 HE2 MET 2 2HE MET 2 252.128 13.761 12.633 20 HE3 MET 2 3HE MET 2 253.338 14.359 11.499 21 H LYS 3 H LYS 3 248.671 11.764 7.113 22 HA LYS 3 HA LYS 3 246.426 9.925 6.965 23 HB2 LYS 3 1HB LYS 3 247.834 11.486 4.793 24 HB3 LYS 3 2HB LYS 3 246.404 10.495 4.555 25 HG2 LYS 3 1HG LYS 3 245.189 11.962 6.147 26 HG3 LYS 3 2HG LYS 3 246.615 13.002 6.205 27 HD2 LYS 3 1HD LYS 3 246.459 13.303 3.765 28 HD3 LYS 3 2HD LYS 3 244.994 12.322 3.754 29 HE2 LYS 3 1HE LYS 3 244.402 14.660 3.710 30 HE3 LYS 3 2HE LYS 3 243.925 13.961 5.256 31 HZ1 LYS 3 1HZ LYS 3 246.377 15.565 4.781 32 HZ2 LYS 3 2HZ LYS 3 245.889 14.923 6.265 33 HZ3 LYS 3 3HZ LYS 3 244.966 16.127 5.523 34 H LYS 4 H LYS 4 247.911 8.210 7.795 35 HA LYS 4 HA LYS 4 249.840 7.143 5.939 36 HB2 LYS 4 1HB LYS 4 248.753 6.044 8.532 37 HB3 LYS 4 2HB LYS 4 250.043 5.300 7.598 38 HG2 LYS 4 1HG LYS 4 250.118 8.005 8.915 39 HG3 LYS 4 2HG LYS 4 250.963 6.549 9.443 40 HD2 LYS 4 1HD LYS 4 252.150 6.549 7.234 41 HD3 LYS 4 2HD LYS 4 251.427 8.127 6.918 42 HE2 LYS 4 1HE LYS 4 253.650 8.446 7.770 43 HE3 LYS 4 2HE LYS 4 252.492 8.978 8.987 44 HZ1 LYS 4 1HZ LYS 4 253.827 6.327 8.981 45 HZ2 LYS 4 2HZ LYS 4 252.823 6.949 10.193 46 HZ3 LYS 4 3HZ LYS 4 254.332 7.654 9.901 47 H ARG 5 H ARG 5 246.553 6.467 6.922 48 HA ARG 5 HA ARG 5 246.471 3.999 5.390 49 HB2 ARG 5 1HB ARG 5 244.226 5.387 6.859 50 HB3 ARG 5 2HB ARG 5 244.222 3.736 6.259 51 HG2 ARG 5 1HG ARG 5 246.035 4.792 8.417 52 HG3 ARG 5 2HG ARG 5 244.559 3.867 8.684 53 HD2 ARG 5 1HD ARG 5 245.508 1.950 7.563 54 HD3 ARG 5 2HD ARG 5 246.948 2.874 7.130 55 HE ARG 5 HE ARG 5 246.875 3.056 9.829 56 HH11 ARG 5 1HH1 ARG 5 246.715 0.320 7.650 57 HH12 ARG 5 2HH1 ARG 5 247.561 -0.742 8.729 58 HH21 ARG 5 1HH2 ARG 5 247.972 1.651 11.249 59 HH22 ARG 5 2HH2 ARG 5 248.273 0.012 10.773 60 H THR 6 H THR 6 246.698 6.851 4.285 61 HA THR 6 HA THR 6 244.444 6.728 2.402 62 HB THR 6 HB THR 6 246.329 9.035 2.932 63 HG1 THR 6 HG1 THR 6 243.612 9.013 3.680 64 HG21 THR 6 1HG2 THR 6 243.729 8.908 1.400 65 HG22 THR 6 2HG2 THR 6 245.338 9.077 0.696 66 HG23 THR 6 3HG2 THR 6 244.677 10.365 1.705 67 H TYR 7 H TYR 7 247.871 6.524 2.745 68 HA TYR 7 HA TYR 7 248.202 6.476 -0.172 69 HB2 TYR 7 1HB TYR 7 250.132 7.262 2.009 70 HB3 TYR 7 2HB TYR 7 250.634 6.963 0.349 71 HD1 TYR 7 HD1 TYR 7 248.763 9.209 2.563 72 HD2 TYR 7 HD2 TYR 7 250.092 8.513 -1.415 73 HE1 TYR 7 HE1 TYR 7 248.202 11.528 1.978 74 HE2 TYR 7 HE2 TYR 7 249.543 10.830 -2.012 75 HH TYR 7 HH TYR 7 248.180 12.654 -1.280 76 H CYS 8 H CYS 8 249.371 4.884 -1.108 77 HA CYS 8 HA CYS 8 249.030 2.313 -0.137 78 HB2 CYS 8 1HB CYS 8 249.267 2.717 -2.473 79 HB3 CYS 8 2HB CYS 8 250.860 3.423 -2.255 80 H THR 9 H THR 9 249.986 1.233 1.389 81 HA THR 9 HA THR 9 252.263 2.122 2.792 82 HB THR 9 HB THR 9 251.001 -0.628 2.786 83 HG1 THR 9 HG1 THR 9 250.230 1.834 3.835 84 HG21 THR 9 1HG2 THR 9 253.171 -0.599 3.899 85 HG22 THR 9 2HG2 THR 9 251.872 -0.773 5.081 86 HG23 THR 9 3HG2 THR 9 252.671 0.786 4.869 87 H TYR 10 H TYR 10 251.859 0.045 0.043 88 HA TYR 10 HA TYR 10 254.474 -1.147 0.227 89 HB2 TYR 10 1HB TYR 10 252.202 -1.297 -1.702 90 HB3 TYR 10 2HB TYR 10 253.798 -1.824 -2.226 91 HD1 TYR 10 HD1 TYR 10 254.093 -4.082 -2.134 92 HD2 TYR 10 HD2 TYR 10 251.724 -2.224 0.865 93 HE1 TYR 10 HE1 TYR 10 253.771 -6.260 -1.049 94 HE2 TYR 10 HE2 TYR 10 251.391 -4.395 1.960 95 HH TYR 10 HH TYR 10 253.252 -7.099 1.250 96 H CYS 11 H CYS 11 253.195 1.754 -0.996 97 HA CYS 11 HA CYS 11 255.370 2.176 -2.879 98 HB2 CYS 11 1HB CYS 11 252.883 3.658 -2.148 99 HB3 CYS 11 2HB CYS 11 254.211 4.555 -2.872 100 HA PRO 12 HA PRO 12 258.009 4.200 0.106 101 HB2 PRO 12 1HB PRO 12 258.945 5.821 -2.171 102 HB3 PRO 12 2HB PRO 12 259.860 4.744 -1.115 103 HG2 PRO 12 1HG PRO 12 259.302 4.114 -3.677 104 HG3 PRO 12 2HG PRO 12 259.420 2.890 -2.400 105 HD2 PRO 12 1HD PRO 12 257.001 4.046 -3.706 106 HD3 PRO 12 2HD PRO 12 257.295 2.395 -3.121 107 H SER 13 H SER 13 257.837 6.043 1.283 108 HA SER 13 HA SER 13 255.465 7.492 1.030 109 HB2 SER 13 1HB SER 13 257.883 8.231 2.683 110 HB3 SER 13 2HB SER 13 256.218 8.742 2.959 111 HG SER 13 HG SER 13 256.034 7.000 4.100 112 H LYS 14 H LYS 14 258.612 8.142 -0.274 113 HA LYS 14 HA LYS 14 258.110 10.928 -0.782 114 HB2 LYS 14 1HB LYS 14 260.258 9.046 -1.751 115 HB3 LYS 14 2HB LYS 14 260.188 10.745 -2.194 116 HG2 LYS 14 1HG LYS 14 260.409 9.711 0.621 117 HG3 LYS 14 2HG LYS 14 261.755 10.296 -0.357 118 HD2 LYS 14 1HD LYS 14 260.558 12.474 -0.564 119 HD3 LYS 14 2HD LYS 14 259.358 11.868 0.576 120 HE2 LYS 14 1HE LYS 14 261.054 11.626 2.285 121 HE3 LYS 14 2HE LYS 14 262.308 12.116 1.147 122 HZ1 LYS 14 1HZ LYS 14 261.707 13.964 2.531 123 HZ2 LYS 14 2HZ LYS 14 260.073 13.799 2.133 124 HZ3 LYS 14 3HZ LYS 14 261.185 14.272 0.953 125 H ILE 15 H ILE 15 257.137 8.056 -2.259 126 HA ILE 15 HA ILE 15 256.965 9.170 -4.940 127 HB ILE 15 HB ILE 15 255.982 6.525 -3.847 128 HG12 ILE 15 1HG1 ILE 15 258.428 6.745 -3.809 129 HG13 ILE 15 2HG1 ILE 15 257.916 5.564 -5.009 130 HG21 ILE 15 1HG2 ILE 15 255.654 5.832 -6.127 131 HG22 ILE 15 2HG2 ILE 15 256.254 7.379 -6.722 132 HG23 ILE 15 3HG2 ILE 15 254.734 7.308 -5.835 133 HD11 ILE 15 1HD1 ILE 15 258.218 7.267 -6.761 134 HD12 ILE 15 2HD1 ILE 15 259.705 6.908 -5.883 135 HD13 ILE 15 3HD1 ILE 15 258.811 8.386 -5.534 136 H ARG 16 H ARG 16 254.900 8.486 -2.188 137 HA ARG 16 HA ARG 16 252.786 9.119 -1.650 138 HB2 ARG 16 1HB ARG 16 253.461 11.323 -3.593 139 HB3 ARG 16 2HB ARG 16 252.019 11.316 -2.589 140 HG2 ARG 16 1HG ARG 16 253.450 11.250 -0.585 141 HG3 ARG 16 2HG ARG 16 254.871 11.352 -1.628 142 HD2 ARG 16 1HD ARG 16 254.095 13.501 -2.483 143 HD3 ARG 16 2HD ARG 16 252.658 13.393 -1.469 144 HE ARG 16 HE ARG 16 255.072 13.195 0.047 145 HH11 ARG 16 1HH1 ARG 16 252.888 15.458 -1.496 146 HH12 ARG 16 2HH1 ARG 16 253.315 16.774 -0.450 147 HH21 ARG 16 1HH2 ARG 16 255.624 14.927 1.432 148 HH22 ARG 16 2HH2 ARG 16 254.858 16.468 1.221 149 H ARG 17 H ARG 17 252.187 7.092 -2.820 150 HA ARG 17 HA ARG 17 250.452 7.716 -5.103 151 HB2 ARG 17 1HB ARG 17 251.774 5.167 -4.235 152 HB3 ARG 17 2HB ARG 17 250.346 5.124 -5.260 153 HG2 ARG 17 1HG ARG 17 252.833 6.663 -5.953 154 HG3 ARG 17 2HG ARG 17 252.545 4.999 -6.459 155 HD2 ARG 17 1HD ARG 17 250.774 7.359 -7.105 156 HD3 ARG 17 2HD ARG 17 251.940 6.631 -8.204 157 HE ARG 17 HE ARG 17 250.562 4.535 -7.955 158 HH11 ARG 17 1HH1 ARG 17 249.141 7.722 -7.540 159 HH12 ARG 17 2HH1 ARG 17 247.565 7.217 -8.055 160 HH21 ARG 17 1HH2 ARG 17 248.491 3.879 -8.623 161 HH22 ARG 17 2HH2 ARG 17 247.192 5.042 -8.659 162 H LYS 18 H LYS 18 248.424 8.063 -4.593 163 HA LYS 18 HA LYS 18 247.305 7.412 -2.087 164 HB2 LYS 18 1HB LYS 18 246.070 8.305 -4.683 165 HB3 LYS 18 2HB LYS 18 245.080 7.905 -3.289 166 HG2 LYS 18 1HG LYS 18 245.297 10.192 -3.110 167 HG3 LYS 18 2HG LYS 18 246.568 9.611 -2.038 168 HD2 LYS 18 1HD LYS 18 247.500 11.374 -3.324 169 HD3 LYS 18 2HD LYS 18 248.165 9.872 -3.962 170 HE2 LYS 18 1HE LYS 18 247.545 11.338 -5.784 171 HE3 LYS 18 2HE LYS 18 246.495 9.924 -5.771 172 HZ1 LYS 18 1HZ LYS 18 245.206 11.897 -6.150 173 HZ2 LYS 18 2HZ LYS 18 245.817 12.629 -4.755 174 HZ3 LYS 18 3HZ LYS 18 244.812 11.277 -4.627 175 H ALA 19 H ALA 19 246.189 5.703 -1.389 176 HA ALA 19 HA ALA 19 246.302 3.326 -3.047 177 HB1 ALA 19 1HB ALA 19 245.743 2.126 -1.010 178 HB2 ALA 19 2HB ALA 19 245.469 3.655 -0.172 179 HB3 ALA 19 3HB ALA 19 247.087 3.235 -0.733 180 H ASN 20 H ASN 20 244.655 2.996 -4.403 181 HA ASN 20 HA ASN 20 241.951 3.732 -3.586 182 HB2 ASN 20 1HB ASN 20 243.118 2.863 -6.225 183 HB3 ASN 20 2HB ASN 20 241.382 2.926 -5.956 184 HD21 ASN 20 1HD2 ASN 20 244.298 4.790 -6.272 185 HD22 ASN 20 2HD2 ASN 20 243.534 6.326 -6.470 186 H ALA 21 H ALA 21 243.909 1.228 -3.078 187 HA ALA 21 HA ALA 21 241.647 -0.625 -2.829 188 HB1 ALA 21 1HB ALA 21 242.932 -1.390 -4.736 189 HB2 ALA 21 2HB ALA 21 243.164 -2.502 -3.385 190 HB3 ALA 21 3HB ALA 21 244.419 -1.332 -3.792 191 H SER 22 H SER 22 242.130 -2.349 -1.188 192 HA SER 22 HA SER 22 244.078 -1.546 0.824 193 HB2 SER 22 1HB SER 22 241.152 -1.912 1.504 194 HB3 SER 22 2HB SER 22 242.446 -1.432 2.603 195 HG SER 22 HG SER 22 242.488 0.262 0.580 196 H CYS 23 H CYS 23 244.505 -3.191 2.383 197 HA CYS 23 HA CYS 23 243.626 -5.873 1.567 198 HB2 CYS 23 1HB CYS 23 246.080 -5.436 1.668 199 HB3 CYS 23 2HB CYS 23 245.913 -5.065 3.379 200 H LYS 24 H LYS 24 241.738 -6.244 2.632 201 HA LYS 24 HA LYS 24 241.092 -5.043 5.116 202 HB2 LYS 24 1HB LYS 24 239.065 -6.378 5.057 203 HB3 LYS 24 2HB LYS 24 239.383 -5.688 3.474 204 HG2 LYS 24 1HG LYS 24 240.177 -7.800 2.652 205 HG3 LYS 24 2HG LYS 24 240.060 -8.513 4.261 206 HD2 LYS 24 1HD LYS 24 238.156 -9.212 2.981 207 HD3 LYS 24 2HD LYS 24 237.613 -8.070 4.207 208 HE2 LYS 24 1HE LYS 24 236.524 -7.597 2.100 209 HE3 LYS 24 2HE LYS 24 237.619 -6.282 2.521 210 HZ1 LYS 24 1HZ LYS 24 237.782 -6.887 0.186 211 HZ2 LYS 24 2HZ LYS 24 238.218 -8.465 0.599 212 HZ3 LYS 24 3HZ LYS 24 239.242 -7.177 0.984 213 H LYS 25 H LYS 25 243.009 -7.697 4.400 214 HA LYS 25 HA LYS 25 242.393 -9.314 6.672 215 HB2 LYS 25 1HB LYS 25 244.826 -9.307 4.881 216 HB3 LYS 25 2HB LYS 25 244.445 -10.547 6.066 217 HG2 LYS 25 1HG LYS 25 242.762 -9.857 3.665 218 HG3 LYS 25 2HG LYS 25 243.865 -11.229 3.789 219 HD2 LYS 25 1HD LYS 25 242.545 -12.110 5.658 220 HD3 LYS 25 2HD LYS 25 241.439 -10.742 5.520 221 HE2 LYS 25 1HE LYS 25 240.848 -11.445 3.258 222 HE3 LYS 25 2HE LYS 25 241.964 -12.804 3.382 223 HZ1 LYS 25 1HZ LYS 25 239.688 -13.481 3.811 224 HZ2 LYS 25 2HZ LYS 25 239.570 -12.376 5.084 225 HZ3 LYS 25 3HZ LYS 25 240.638 -13.682 5.195 226 H CYS 26 H CYS 26 244.455 -6.568 6.131 227 HA CYS 26 HA CYS 26 245.363 -6.773 8.917 228 HB2 CYS 26 1HB CYS 26 247.641 -6.141 8.280 229 HB3 CYS 26 2HB CYS 26 247.165 -7.655 7.514 230 H LYS 27 H LYS 27 243.984 -4.939 6.514 231 HA LYS 27 HA LYS 27 243.185 -2.841 6.443 232 HB2 LYS 27 1HB LYS 27 244.306 -2.689 9.233 233 HB3 LYS 27 2HB LYS 27 243.435 -1.363 8.477 234 HG2 LYS 27 1HG LYS 27 242.338 -4.127 8.981 235 HG3 LYS 27 2HG LYS 27 241.986 -2.687 9.937 236 HD2 LYS 27 1HD LYS 27 241.318 -3.089 7.018 237 HD3 LYS 27 2HD LYS 27 240.181 -3.165 8.362 238 HE2 LYS 27 1HE LYS 27 240.542 -0.837 8.862 239 HE3 LYS 27 2HE LYS 27 241.812 -0.734 7.647 240 HZ1 LYS 27 1HZ LYS 27 240.194 -1.140 5.932 241 HZ2 LYS 27 2HZ LYS 27 239.699 0.177 6.873 242 HZ3 LYS 27 3HZ LYS 27 238.965 -1.331 7.077 243 H LYS 28 H LYS 28 246.054 -3.586 5.739 244 HA LYS 28 HA LYS 28 247.238 -0.923 5.659 245 HB2 LYS 28 1HB LYS 28 248.165 -3.516 4.396 246 HB3 LYS 28 2HB LYS 28 249.058 -2.005 4.373 247 HG2 LYS 28 1HG LYS 28 249.295 -2.079 6.785 248 HG3 LYS 28 2HG LYS 28 248.335 -3.560 6.850 249 HD2 LYS 28 1HD LYS 28 250.048 -4.619 5.353 250 HD3 LYS 28 2HD LYS 28 251.035 -3.173 5.569 251 HE2 LYS 28 1HE LYS 28 250.088 -5.019 7.758 252 HE3 LYS 28 2HE LYS 28 251.716 -4.960 7.090 253 HZ1 LYS 28 1HZ LYS 28 251.562 -3.748 9.168 254 HZ2 LYS 28 2HZ LYS 28 250.365 -2.743 8.526 255 HZ3 LYS 28 3HZ LYS 28 251.933 -2.697 7.895 256 H VAL 29 H VAL 29 247.330 0.342 3.813 257 HA VAL 29 HA VAL 29 245.376 -0.415 1.770 258 HB VAL 29 HB VAL 29 245.377 1.998 1.160 259 HG11 VAL 29 1HG1 VAL 29 243.689 1.090 2.655 260 HG12 VAL 29 2HG1 VAL 29 244.114 2.736 3.126 261 HG13 VAL 29 3HG1 VAL 29 244.746 1.366 4.039 262 HG21 VAL 29 1HG2 VAL 29 246.378 3.614 2.697 263 HG22 VAL 29 2HG2 VAL 29 247.608 2.583 1.965 264 HG23 VAL 29 3HG2 VAL 29 247.090 2.293 3.626 265 H ILE 30 H ILE 30 245.824 -0.228 -0.450 266 HA ILE 30 HA ILE 30 248.659 -0.003 -1.161 267 HB ILE 30 HB ILE 30 248.446 -2.114 -2.534 268 HG12 ILE 30 1HG1 ILE 30 245.963 -2.392 -0.832 269 HG13 ILE 30 2HG1 ILE 30 246.072 -2.435 -2.587 270 HG21 ILE 30 1HG2 ILE 30 248.302 -2.373 0.467 271 HG22 ILE 30 2HG2 ILE 30 249.748 -2.024 -0.481 272 HG23 ILE 30 3HG2 ILE 30 248.946 -3.587 -0.639 273 HD11 ILE 30 1HD1 ILE 30 247.015 -4.514 -0.636 274 HD12 ILE 30 2HD1 ILE 30 247.406 -4.541 -2.352 275 HD13 ILE 30 3HD1 ILE 30 245.724 -4.653 -1.831 276 H CYS 31 H CYS 31 249.061 0.414 -3.354 277 HA CYS 31 HA CYS 31 246.905 1.825 -4.678 278 HB2 CYS 31 1HB CYS 31 248.597 2.678 -6.164 279 HB3 CYS 31 2HB CYS 31 249.262 2.728 -4.534 280 H ARG 32 H ARG 32 246.767 1.540 -7.132 281 HA ARG 32 HA ARG 32 245.991 -1.161 -7.597 282 HB2 ARG 32 1HB ARG 32 246.017 1.255 -9.392 283 HB3 ARG 32 2HB ARG 32 245.397 -0.312 -9.887 284 HG2 ARG 32 1HG ARG 32 244.364 1.305 -7.566 285 HG3 ARG 32 2HG ARG 32 243.629 1.235 -9.168 286 HD2 ARG 32 1HD ARG 32 243.304 -1.189 -8.893 287 HD3 ARG 32 2HD ARG 32 244.007 -1.091 -7.280 288 HE ARG 32 HE ARG 32 241.818 0.698 -7.543 289 HH11 ARG 32 1HH1 ARG 32 242.567 -2.703 -7.166 290 HH12 ARG 32 2HH1 ARG 32 241.079 -3.075 -6.359 291 HH21 ARG 32 1HH2 ARG 32 239.858 0.209 -6.465 292 HH22 ARG 32 2HH2 ARG 32 239.542 -1.420 -5.960 293 H GLU 33 H GLU 33 248.987 0.246 -7.796 294 HA GLU 33 HA GLU 33 249.866 -1.612 -9.883 295 HB2 GLU 33 1HB GLU 33 251.571 0.352 -8.353 296 HB3 GLU 33 2HB GLU 33 252.004 -0.512 -9.818 297 HG2 GLU 33 1HG GLU 33 251.531 1.549 -10.667 298 HG3 GLU 33 2HG GLU 33 249.952 0.778 -10.811 299 H HIS 34 H HIS 34 249.398 -1.461 -6.588 300 HA HIS 34 HA HIS 34 251.271 -3.688 -6.125 301 HB2 HIS 34 1HB HIS 34 250.702 -1.331 -4.316 302 HB3 HIS 34 2HB HIS 34 251.445 -2.814 -3.738 303 HD2 HIS 34 HD2 HIS 34 253.525 -3.100 -6.341 304 HE1 HIS 34 HE1 HIS 34 255.028 0.504 -4.720 305 HE2 HIS 34 HE2 HIS 34 255.587 -1.551 -6.097 306 H ASN 35 H ASN 35 248.336 -3.501 -6.768 307 HA ASN 35 HA ASN 35 247.240 -4.435 -4.216 308 HB2 ASN 35 1HB ASN 35 245.156 -3.600 -4.750 309 HB3 ASN 35 2HB ASN 35 246.211 -2.416 -5.504 310 HD21 ASN 35 1HD2 ASN 35 243.798 -4.822 -6.006 311 HD22 ASN 35 2HD2 ASN 35 243.666 -4.643 -7.718 312 H ILE 36 H ILE 36 246.945 -6.483 -3.967 313 HA ILE 36 HA ILE 36 245.976 -8.090 -6.240 314 HB ILE 36 HB ILE 36 246.729 -9.137 -3.499 315 HG12 ILE 36 1HG1 ILE 36 248.570 -8.939 -5.897 316 HG13 ILE 36 2HG1 ILE 36 248.669 -7.916 -4.467 317 HG21 ILE 36 1HG2 ILE 36 246.625 -10.479 -6.199 318 HG22 ILE 36 2HG2 ILE 36 245.415 -10.624 -4.925 319 HG23 ILE 36 3HG2 ILE 36 247.042 -11.254 -4.671 320 HD11 ILE 36 1HD1 ILE 36 249.154 -9.866 -3.093 321 HD12 ILE 36 2HD1 ILE 36 250.318 -9.704 -4.410 322 HD13 ILE 36 3HD1 ILE 36 249.030 -10.904 -4.515 323 H ASP 37 H ASP 37 244.740 -5.977 -4.387 324 HA ASP 37 HA ASP 37 243.010 -5.540 -2.997 325 HB2 ASP 37 1HB ASP 37 241.999 -7.904 -4.511 326 HB3 ASP 37 2HB ASP 37 241.098 -7.375 -3.092 327 H MET 38 H MET 38 245.272 -7.226 -2.364 328 HA MET 38 HA MET 38 244.813 -7.669 0.367 329 HB2 MET 38 1HB MET 38 243.705 -9.733 -0.445 330 HB3 MET 38 2HB MET 38 245.149 -10.144 -1.362 331 HG2 MET 38 1HG MET 38 246.418 -10.397 0.681 332 HG3 MET 38 2HG MET 38 245.025 -9.893 1.636 333 HE1 MET 38 1HE MET 38 244.997 -12.251 -1.543 334 HE2 MET 38 2HE MET 38 245.209 -13.826 -0.776 335 HE3 MET 38 3HE MET 38 246.511 -12.637 -0.725 336 H CYS 39 H CYS 39 246.814 -7.509 1.318 337 HA CYS 39 HA CYS 39 248.954 -6.826 -0.469 338 HB2 CYS 39 1HB CYS 39 250.047 -5.926 1.377 339 HB3 CYS 39 2HB CYS 39 248.358 -5.759 1.840 340 H GLN 40 H GLN 40 251.093 -7.734 -0.320 341 HA GLN 40 HA GLN 40 251.015 -10.539 -0.692 342 HB2 GLN 40 1HB GLN 40 253.402 -8.701 -0.452 343 HB3 GLN 40 2HB GLN 40 253.430 -10.338 -1.090 344 HG2 GLN 40 1HG GLN 40 252.027 -9.687 -2.938 345 HG3 GLN 40 2HG GLN 40 251.864 -8.061 -2.278 346 HE21 GLN 40 1HE2 GLN 40 254.690 -8.011 -1.438 347 HE22 GLN 40 2HE2 GLN 40 255.596 -7.750 -2.888 348 H SER 41 H SER 41 251.467 -8.592 2.052 349 HA SER 41 HA SER 41 253.021 -10.449 3.578 350 HB2 SER 41 1HB SER 41 253.079 -8.055 4.067 351 HB3 SER 41 2HB SER 41 251.356 -8.067 4.426 352 HG SER 41 HG SER 41 253.199 -9.689 5.836 353 H CYS 42 H CYS 42 249.702 -10.163 2.741 354 HA CYS 42 HA CYS 42 249.002 -12.177 4.778 355 HB2 CYS 42 1HB CYS 42 247.167 -10.411 3.143 356 HB3 CYS 42 2HB CYS 42 246.640 -11.613 4.314 357 H PHE 43 H PHE 43 250.020 -11.968 1.705 358 HA PHE 43 HA PHE 43 248.218 -13.692 0.333 359 HB2 PHE 43 1HB PHE 43 249.627 -12.133 -0.898 360 HB3 PHE 43 2HB PHE 43 251.079 -12.908 -0.276 361 HD1 PHE 43 HD1 PHE 43 252.087 -14.620 -1.472 362 HD2 PHE 43 HD2 PHE 43 248.054 -13.568 -2.335 363 HE1 PHE 43 HE1 PHE 43 252.114 -16.128 -3.415 364 HE2 PHE 43 HE2 PHE 43 248.076 -15.078 -4.278 365 HZ PHE 43 HZ PHE 43 250.106 -16.359 -4.820 Start of MODEL 21 1 H1 VAL 1 1H VAL 1 251.166 15.735 11.219 2 H2 VAL 1 2H VAL 1 249.774 16.332 10.474 3 H3 VAL 1 3H VAL 1 251.296 16.714 9.848 4 HA VAL 1 HA VAL 1 250.211 15.040 8.509 5 HB VAL 1 HB VAL 1 252.521 13.872 10.079 6 HG11 VAL 1 1HG1 VAL 1 251.582 13.343 7.259 7 HG12 VAL 1 2HG1 VAL 1 251.409 12.251 8.633 8 HG13 VAL 1 3HG1 VAL 1 253.014 12.647 8.018 9 HG21 VAL 1 1HG2 VAL 1 252.563 15.682 7.663 10 HG22 VAL 1 2HG2 VAL 1 253.969 14.894 8.379 11 HG23 VAL 1 3HG2 VAL 1 253.077 16.109 9.296 12 H MET 2 H MET 2 248.498 13.761 8.642 13 HA MET 2 HA MET 2 248.440 11.658 10.667 14 HB2 MET 2 1HB MET 2 246.113 12.156 11.269 15 HB3 MET 2 2HB MET 2 247.166 13.508 11.655 16 HG2 MET 2 1HG MET 2 246.445 14.574 9.513 17 HG3 MET 2 2HG MET 2 245.260 13.280 9.341 18 HE1 MET 2 1HE MET 2 244.410 12.832 12.419 19 HE2 MET 2 2HE MET 2 243.267 12.867 11.077 20 HE3 MET 2 3HE MET 2 242.987 13.872 12.499 21 H LYS 3 H LYS 3 247.169 9.869 10.094 22 HA LYS 3 HA LYS 3 246.287 8.318 8.710 23 HB2 LYS 3 1HB LYS 3 245.131 10.806 7.513 24 HB3 LYS 3 2HB LYS 3 244.924 9.268 6.689 25 HG2 LYS 3 1HG LYS 3 242.992 9.635 8.010 26 HG3 LYS 3 2HG LYS 3 243.929 8.368 8.796 27 HD2 LYS 3 1HD LYS 3 244.870 10.079 10.322 28 HD3 LYS 3 2HD LYS 3 243.803 11.274 9.583 29 HE2 LYS 3 1HE LYS 3 242.800 10.476 11.620 30 HE3 LYS 3 2HE LYS 3 241.863 9.890 10.247 31 HZ1 LYS 3 1HZ LYS 3 243.906 8.304 11.707 32 HZ2 LYS 3 2HZ LYS 3 242.911 7.748 10.455 33 HZ3 LYS 3 3HZ LYS 3 242.235 8.182 11.941 34 H LYS 4 H LYS 4 248.562 7.903 8.250 35 HA LYS 4 HA LYS 4 249.608 8.668 5.700 36 HB2 LYS 4 1HB LYS 4 250.432 6.460 7.598 37 HB3 LYS 4 2HB LYS 4 251.321 6.913 6.152 38 HG2 LYS 4 1HG LYS 4 250.767 8.794 8.436 39 HG3 LYS 4 2HG LYS 4 252.237 7.833 8.282 40 HD2 LYS 4 1HD LYS 4 251.405 9.566 6.000 41 HD3 LYS 4 2HD LYS 4 252.127 10.323 7.417 42 HE2 LYS 4 1HE LYS 4 253.857 9.882 5.813 43 HE3 LYS 4 2HE LYS 4 254.070 8.797 7.182 44 HZ1 LYS 4 1HZ LYS 4 252.809 8.063 4.594 45 HZ2 LYS 4 2HZ LYS 4 253.078 7.023 5.900 46 HZ3 LYS 4 3HZ LYS 4 254.390 7.674 5.055 47 H ARG 5 H ARG 5 247.404 6.348 6.854 48 HA ARG 5 HA ARG 5 247.692 4.451 4.732 49 HB2 ARG 5 1HB ARG 5 245.536 4.880 6.792 50 HB3 ARG 5 2HB ARG 5 245.445 3.620 5.572 51 HG2 ARG 5 1HG ARG 5 247.570 2.690 6.431 52 HG3 ARG 5 2HG ARG 5 247.541 3.903 7.712 53 HD2 ARG 5 1HD ARG 5 245.395 3.023 8.491 54 HD3 ARG 5 2HD ARG 5 245.428 1.810 7.213 55 HE ARG 5 HE ARG 5 247.742 1.733 8.910 56 HH11 ARG 5 1HH1 ARG 5 244.441 0.633 8.525 57 HH12 ARG 5 2HH1 ARG 5 244.635 -0.727 9.583 58 HH21 ARG 5 1HH2 ARG 5 247.999 -0.051 10.315 59 HH22 ARG 5 2HH2 ARG 5 246.663 -1.118 10.604 60 H THR 6 H THR 6 247.014 7.439 4.299 61 HA THR 6 HA THR 6 244.715 7.212 2.557 62 HB THR 6 HB THR 6 246.712 9.474 2.827 63 HG1 THR 6 HG1 THR 6 245.682 9.988 4.598 64 HG21 THR 6 1HG2 THR 6 243.913 9.434 1.697 65 HG22 THR 6 2HG2 THR 6 245.403 9.553 0.759 66 HG23 THR 6 3HG2 THR 6 244.944 10.856 1.857 67 H TYR 7 H TYR 7 248.063 6.710 2.498 68 HA TYR 7 HA TYR 7 248.065 6.529 -0.434 69 HB2 TYR 7 1HB TYR 7 250.274 7.489 1.390 70 HB3 TYR 7 2HB TYR 7 250.500 7.119 -0.314 71 HD1 TYR 7 HD1 TYR 7 249.689 9.649 2.022 72 HD2 TYR 7 HD2 TYR 7 248.953 8.381 -1.970 73 HE1 TYR 7 HE1 TYR 7 249.002 11.933 1.429 74 HE2 TYR 7 HE2 TYR 7 248.270 10.655 -2.574 75 HH TYR 7 HH TYR 7 248.848 13.344 -0.599 76 H CYS 8 H CYS 8 249.412 4.933 -1.320 77 HA CYS 8 HA CYS 8 249.042 2.419 -0.241 78 HB2 CYS 8 1HB CYS 8 249.375 2.691 -2.578 79 HB3 CYS 8 2HB CYS 8 250.948 3.430 -2.340 80 H THR 9 H THR 9 249.939 1.338 1.317 81 HA THR 9 HA THR 9 252.092 2.260 2.868 82 HB THR 9 HB THR 9 250.988 -0.551 2.746 83 HG1 THR 9 HG1 THR 9 250.018 1.824 3.943 84 HG21 THR 9 1HG2 THR 9 251.615 -0.594 5.141 85 HG22 THR 9 2HG2 THR 9 252.370 0.987 4.945 86 HG23 THR 9 3HG2 THR 9 253.005 -0.409 4.073 87 H TYR 10 H TYR 10 251.942 0.175 0.092 88 HA TYR 10 HA TYR 10 254.599 -0.881 0.449 89 HB2 TYR 10 1HB TYR 10 252.467 -1.165 -1.626 90 HB3 TYR 10 2HB TYR 10 254.123 -1.610 -2.034 91 HD1 TYR 10 HD1 TYR 10 251.684 -2.150 0.754 92 HD2 TYR 10 HD2 TYR 10 254.709 -3.796 -1.737 93 HE1 TYR 10 HE1 TYR 10 251.377 -4.331 1.839 94 HE2 TYR 10 HE2 TYR 10 254.416 -5.981 -0.662 95 HH TYR 10 HH TYR 10 253.586 -6.896 1.451 96 H CYS 11 H CYS 11 253.134 1.829 -1.111 97 HA CYS 11 HA CYS 11 255.488 2.478 -2.670 98 HB2 CYS 11 1HB CYS 11 252.839 3.817 -2.199 99 HB3 CYS 11 2HB CYS 11 254.165 4.713 -2.922 100 HA PRO 12 HA PRO 12 257.643 4.473 0.677 101 HB2 PRO 12 1HB PRO 12 258.723 6.249 -1.435 102 HB3 PRO 12 2HB PRO 12 259.583 5.224 -0.283 103 HG2 PRO 12 1HG PRO 12 259.402 4.580 -2.881 104 HG3 PRO 12 2HG PRO 12 259.393 3.346 -1.608 105 HD2 PRO 12 1HD PRO 12 257.132 4.412 -3.234 106 HD3 PRO 12 2HD PRO 12 257.412 2.770 -2.622 107 H SER 13 H SER 13 257.351 6.272 1.936 108 HA SER 13 HA SER 13 255.067 7.844 1.475 109 HB2 SER 13 1HB SER 13 257.296 8.210 3.481 110 HB3 SER 13 2HB SER 13 255.775 9.099 3.502 111 HG SER 13 HG SER 13 256.199 6.325 3.885 112 H LYS 14 H LYS 14 258.273 8.246 0.412 113 HA LYS 14 HA LYS 14 258.149 11.084 0.027 114 HB2 LYS 14 1HB LYS 14 259.966 9.024 -1.230 115 HB3 LYS 14 2HB LYS 14 260.183 10.766 -1.322 116 HG2 LYS 14 1HG LYS 14 260.275 9.099 1.183 117 HG3 LYS 14 2HG LYS 14 261.658 9.795 0.336 118 HD2 LYS 14 1HD LYS 14 260.633 12.048 0.710 119 HD3 LYS 14 2HD LYS 14 259.435 11.263 1.739 120 HE2 LYS 14 1HE LYS 14 261.217 12.186 3.092 121 HE3 LYS 14 2HE LYS 14 261.240 10.427 3.177 122 HZ1 LYS 14 1HZ LYS 14 263.463 11.324 2.921 123 HZ2 LYS 14 2HZ LYS 14 263.018 12.104 1.488 124 HZ3 LYS 14 3HZ LYS 14 263.041 10.416 1.558 125 H ILE 15 H ILE 15 256.929 8.349 -1.583 126 HA ILE 15 HA ILE 15 256.700 9.667 -4.168 127 HB ILE 15 HB ILE 15 255.694 6.961 -3.267 128 HG12 ILE 15 1HG1 ILE 15 258.125 7.055 -3.216 129 HG13 ILE 15 2HG1 ILE 15 257.593 6.061 -4.567 130 HG21 ILE 15 1HG2 ILE 15 255.910 8.107 -6.046 131 HG22 ILE 15 2HG2 ILE 15 254.416 7.847 -5.148 132 HG23 ILE 15 3HG2 ILE 15 255.403 6.470 -5.636 133 HD11 ILE 15 1HD1 ILE 15 258.581 8.897 -4.712 134 HD12 ILE 15 2HD1 ILE 15 257.988 7.953 -6.079 135 HD13 ILE 15 3HD1 ILE 15 259.446 7.448 -5.225 136 H ARG 16 H ARG 16 254.592 8.402 -1.604 137 HA ARG 16 HA ARG 16 252.418 8.790 -1.055 138 HB2 ARG 16 1HB ARG 16 252.871 11.384 -2.538 139 HB3 ARG 16 2HB ARG 16 251.479 11.034 -1.524 140 HG2 ARG 16 1HG ARG 16 252.927 10.844 0.421 141 HG3 ARG 16 2HG ARG 16 254.339 11.159 -0.592 142 HD2 ARG 16 1HD ARG 16 252.035 13.031 -0.067 143 HD3 ARG 16 2HD ARG 16 253.682 13.193 0.541 144 HE ARG 16 HE ARG 16 253.603 13.075 -2.309 145 HH11 ARG 16 1HH1 ARG 16 253.137 15.222 0.414 146 HH12 ARG 16 2HH1 ARG 16 253.463 16.657 -0.502 147 HH21 ARG 16 1HH2 ARG 16 254.036 14.944 -3.513 148 HH22 ARG 16 2HH2 ARG 16 253.978 16.500 -2.745 149 H ARG 17 H ARG 17 252.106 6.994 -2.636 150 HA ARG 17 HA ARG 17 250.699 7.857 -5.056 151 HB2 ARG 17 1HB ARG 17 252.470 6.101 -5.244 152 HB3 ARG 17 2HB ARG 17 251.500 5.063 -4.211 153 HG2 ARG 17 1HG ARG 17 251.254 4.464 -6.557 154 HG3 ARG 17 2HG ARG 17 249.725 5.026 -5.877 155 HD2 ARG 17 1HD ARG 17 249.950 7.150 -6.943 156 HD3 ARG 17 2HD ARG 17 251.603 6.793 -7.441 157 HE ARG 17 HE ARG 17 250.154 4.839 -8.640 158 HH11 ARG 17 1HH1 ARG 17 249.849 8.330 -8.557 159 HH12 ARG 17 2HH1 ARG 17 249.188 8.435 -10.156 160 HH21 ARG 17 1HH2 ARG 17 249.310 4.972 -10.738 161 HH22 ARG 17 2HH2 ARG 17 248.880 6.518 -11.406 162 H LYS 18 H LYS 18 248.554 7.810 -5.160 163 HA LYS 18 HA LYS 18 246.979 7.501 -2.887 164 HB2 LYS 18 1HB LYS 18 246.271 7.541 -5.814 165 HB3 LYS 18 2HB LYS 18 245.043 7.360 -4.572 166 HG2 LYS 18 1HG LYS 18 245.034 9.634 -5.081 167 HG3 LYS 18 2HG LYS 18 245.962 9.523 -3.587 168 HD2 LYS 18 1HD LYS 18 248.024 9.765 -4.763 169 HD3 LYS 18 2HD LYS 18 247.216 9.608 -6.323 170 HE2 LYS 18 1HE LYS 18 247.708 11.924 -5.956 171 HE3 LYS 18 2HE LYS 18 245.966 11.697 -5.822 172 HZ1 LYS 18 1HZ LYS 18 246.255 11.646 -3.384 173 HZ2 LYS 18 2HZ LYS 18 246.705 13.122 -4.076 174 HZ3 LYS 18 3HZ LYS 18 247.893 12.025 -3.590 175 H ALA 19 H ALA 19 246.384 5.772 -1.823 176 HA ALA 19 HA ALA 19 246.534 3.144 -3.031 177 HB1 ALA 19 1HB ALA 19 246.077 2.297 -0.820 178 HB2 ALA 19 2HB ALA 19 245.667 3.915 -0.247 179 HB3 ALA 19 3HB ALA 19 247.323 3.540 -0.721 180 H ASN 20 H ASN 20 244.886 2.957 -4.481 181 HA ASN 20 HA ASN 20 242.216 3.824 -3.853 182 HB2 ASN 20 1HB ASN 20 243.242 2.149 -6.155 183 HB3 ASN 20 2HB ASN 20 241.611 2.795 -6.023 184 HD21 ASN 20 1HD2 ASN 20 243.675 3.256 -8.034 185 HD22 ASN 20 2HD2 ASN 20 243.940 4.962 -8.063 186 H ALA 21 H ALA 21 244.047 1.121 -3.108 187 HA ALA 21 HA ALA 21 241.618 -0.426 -2.535 188 HB1 ALA 21 1HB ALA 21 244.225 -1.544 -3.557 189 HB2 ALA 21 2HB ALA 21 242.739 -1.376 -4.490 190 HB3 ALA 21 3HB ALA 21 242.795 -2.476 -3.115 191 H SER 22 H SER 22 242.052 -2.159 -0.911 192 HA SER 22 HA SER 22 244.245 -1.614 0.913 193 HB2 SER 22 1HB SER 22 242.641 -1.645 2.861 194 HB3 SER 22 2HB SER 22 242.527 -0.212 1.841 195 HG SER 22 HG SER 22 240.769 -1.368 0.748 196 H CYS 23 H CYS 23 244.881 -3.395 2.075 197 HA CYS 23 HA CYS 23 244.052 -5.915 0.968 198 HB2 CYS 23 1HB CYS 23 246.413 -5.391 1.454 199 HB3 CYS 23 2HB CYS 23 246.025 -5.293 3.167 200 H LYS 24 H LYS 24 242.268 -6.858 1.658 201 HA LYS 24 HA LYS 24 241.081 -6.218 4.185 202 HB2 LYS 24 1HB LYS 24 240.282 -8.147 2.005 203 HB3 LYS 24 2HB LYS 24 239.323 -7.856 3.450 204 HG2 LYS 24 1HG LYS 24 240.071 -5.753 1.425 205 HG3 LYS 24 2HG LYS 24 238.520 -6.593 1.496 206 HD2 LYS 24 1HD LYS 24 238.201 -5.711 3.789 207 HD3 LYS 24 2HD LYS 24 239.703 -4.803 3.621 208 HE2 LYS 24 1HE LYS 24 238.765 -3.559 1.755 209 HE3 LYS 24 2HE LYS 24 237.278 -4.500 1.855 210 HZ1 LYS 24 1HZ LYS 24 236.991 -2.385 2.933 211 HZ2 LYS 24 2HZ LYS 24 238.326 -2.656 3.931 212 HZ3 LYS 24 3HZ LYS 24 236.941 -3.609 4.098 213 H LYS 25 H LYS 25 243.073 -7.039 5.297 214 HA LYS 25 HA LYS 25 242.327 -9.306 6.790 215 HB2 LYS 25 1HB LYS 25 243.272 -10.523 4.844 216 HB3 LYS 25 2HB LYS 25 244.802 -9.688 5.086 217 HG2 LYS 25 1HG LYS 25 245.051 -10.730 7.268 218 HG3 LYS 25 2HG LYS 25 243.490 -11.531 7.078 219 HD2 LYS 25 1HD LYS 25 244.351 -12.730 5.128 220 HD3 LYS 25 2HD LYS 25 245.913 -11.935 5.329 221 HE2 LYS 25 1HE LYS 25 245.967 -14.181 6.256 222 HE3 LYS 25 2HE LYS 25 246.154 -12.979 7.530 223 HZ1 LYS 25 1HZ LYS 25 244.629 -14.784 8.129 224 HZ2 LYS 25 2HZ LYS 25 243.606 -14.345 6.860 225 HZ3 LYS 25 3HZ LYS 25 243.865 -13.277 8.144 226 H CYS 26 H CYS 26 245.087 -7.347 5.750 227 HA CYS 26 HA CYS 26 245.857 -7.041 8.566 228 HB2 CYS 26 1HB CYS 26 248.038 -6.332 7.756 229 HB3 CYS 26 2HB CYS 26 247.608 -7.872 7.019 230 H LYS 27 H LYS 27 244.378 -5.484 5.959 231 HA LYS 27 HA LYS 27 243.349 -3.501 5.747 232 HB2 LYS 27 1HB LYS 27 244.159 -3.143 8.625 233 HB3 LYS 27 2HB LYS 27 243.172 -1.989 7.745 234 HG2 LYS 27 1HG LYS 27 242.448 -4.880 8.196 235 HG3 LYS 27 2HG LYS 27 241.855 -3.526 9.160 236 HD2 LYS 27 1HD LYS 27 241.441 -3.828 6.183 237 HD3 LYS 27 2HD LYS 27 240.261 -4.285 7.409 238 HE2 LYS 27 1HE LYS 27 241.363 -1.509 6.984 239 HE3 LYS 27 2HE LYS 27 239.788 -2.079 6.442 240 HZ1 LYS 27 1HZ LYS 27 239.187 -2.471 8.760 241 HZ2 LYS 27 2HZ LYS 27 239.590 -0.850 8.491 242 HZ3 LYS 27 3HZ LYS 27 240.690 -1.875 9.263 243 H LYS 28 H LYS 28 246.395 -3.907 5.481 244 HA LYS 28 HA LYS 28 247.360 -1.202 5.525 245 HB2 LYS 28 1HB LYS 28 248.402 -3.711 4.204 246 HB3 LYS 28 2HB LYS 28 249.183 -2.148 4.026 247 HG2 LYS 28 1HG LYS 28 249.473 -2.058 6.480 248 HG3 LYS 28 2HG LYS 28 248.798 -3.687 6.584 249 HD2 LYS 28 1HD LYS 28 250.592 -4.559 5.220 250 HD3 LYS 28 2HD LYS 28 251.230 -2.936 4.964 251 HE2 LYS 28 1HE LYS 28 251.587 -2.768 7.428 252 HE3 LYS 28 2HE LYS 28 251.110 -4.460 7.562 253 HZ1 LYS 28 1HZ LYS 28 253.513 -4.209 7.477 254 HZ2 LYS 28 2HZ LYS 28 253.406 -3.440 5.978 255 HZ3 LYS 28 3HZ LYS 28 252.953 -5.063 6.129 256 H VAL 29 H VAL 29 247.225 0.291 3.943 257 HA VAL 29 HA VAL 29 245.415 -0.295 1.760 258 HB VAL 29 HB VAL 29 245.523 2.114 1.269 259 HG11 VAL 29 1HG1 VAL 29 243.871 1.289 2.845 260 HG12 VAL 29 2HG1 VAL 29 244.433 2.892 3.324 261 HG13 VAL 29 3HG1 VAL 29 245.023 1.459 4.169 262 HG21 VAL 29 1HG2 VAL 29 246.719 3.629 2.766 263 HG22 VAL 29 2HG2 VAL 29 247.830 2.536 1.940 264 HG23 VAL 29 3HG2 VAL 29 247.399 2.246 3.625 265 H ILE 30 H ILE 30 245.938 -0.244 -0.408 266 HA ILE 30 HA ILE 30 248.794 -0.069 -1.047 267 HB ILE 30 HB ILE 30 248.605 -2.215 -2.350 268 HG12 ILE 30 1HG1 ILE 30 246.133 -2.574 -0.638 269 HG13 ILE 30 2HG1 ILE 30 246.138 -2.325 -2.378 270 HG21 ILE 30 1HG2 ILE 30 249.004 -3.648 -0.406 271 HG22 ILE 30 2HG2 ILE 30 248.325 -2.406 0.647 272 HG23 ILE 30 3HG2 ILE 30 249.815 -2.092 -0.242 273 HD11 ILE 30 1HD1 ILE 30 247.374 -4.672 -0.965 274 HD12 ILE 30 2HD1 ILE 30 247.255 -4.434 -2.708 275 HD13 ILE 30 3HD1 ILE 30 245.794 -4.665 -1.748 276 H CYS 31 H CYS 31 249.259 0.257 -3.216 277 HA CYS 31 HA CYS 31 247.043 1.122 -4.884 278 HB2 CYS 31 1HB CYS 31 248.677 2.039 -6.363 279 HB3 CYS 31 2HB CYS 31 249.278 2.380 -4.747 280 H ARG 32 H ARG 32 246.402 -0.009 -6.748 281 HA ARG 32 HA ARG 32 247.009 -2.813 -6.652 282 HB2 ARG 32 1HB ARG 32 245.165 -1.188 -8.376 283 HB3 ARG 32 2HB ARG 32 245.439 -2.903 -8.664 284 HG2 ARG 32 1HG ARG 32 244.796 -3.284 -6.255 285 HG3 ARG 32 2HG ARG 32 244.266 -1.603 -6.226 286 HD2 ARG 32 1HD ARG 32 243.266 -3.637 -8.205 287 HD3 ARG 32 2HD ARG 32 242.470 -3.292 -6.672 288 HE ARG 32 HE ARG 32 242.899 -1.195 -8.698 289 HH11 ARG 32 1HH1 ARG 32 240.824 -2.990 -6.518 290 HH12 ARG 32 2HH1 ARG 32 239.430 -2.003 -6.841 291 HH21 ARG 32 1HH2 ARG 32 241.074 0.111 -9.109 292 HH22 ARG 32 2HH2 ARG 32 239.573 -0.236 -8.310 293 H GLU 33 H GLU 33 248.668 -0.348 -7.877 294 HA GLU 33 HA GLU 33 249.760 -1.744 -10.160 295 HB2 GLU 33 1HB GLU 33 250.771 0.698 -8.678 296 HB3 GLU 33 2HB GLU 33 251.380 0.105 -10.218 297 HG2 GLU 33 1HG GLU 33 249.244 0.554 -11.269 298 HG3 GLU 33 2HG GLU 33 248.574 1.079 -9.726 299 H HIS 34 H HIS 34 250.062 -1.680 -6.781 300 HA HIS 34 HA HIS 34 252.614 -3.117 -6.842 301 HB2 HIS 34 1HB HIS 34 251.206 -1.501 -4.815 302 HB3 HIS 34 2HB HIS 34 251.936 -2.976 -4.189 303 HD2 HIS 34 HD2 HIS 34 254.627 -2.816 -6.136 304 HE1 HIS 34 HE1 HIS 34 255.294 0.716 -3.915 305 HE2 HIS 34 HE2 HIS 34 256.388 -1.139 -5.249 306 H ASN 35 H ASN 35 249.383 -3.424 -5.360 307 HA ASN 35 HA ASN 35 249.448 -6.293 -5.878 308 HB2 ASN 35 1HB ASN 35 249.418 -5.053 -3.157 309 HB3 ASN 35 2HB ASN 35 248.488 -6.522 -3.423 310 HD21 ASN 35 1HD2 ASN 35 250.341 -7.645 -5.349 311 HD22 ASN 35 2HD2 ASN 35 251.734 -8.144 -4.457 312 H ILE 36 H ILE 36 247.414 -7.242 -6.035 313 HA ILE 36 HA ILE 36 245.340 -5.314 -6.683 314 HB ILE 36 HB ILE 36 245.362 -8.307 -7.087 315 HG12 ILE 36 1HG1 ILE 36 247.164 -7.213 -8.339 316 HG13 ILE 36 2HG1 ILE 36 245.909 -7.792 -9.429 317 HG21 ILE 36 1HG2 ILE 36 243.540 -7.903 -8.661 318 HG22 ILE 36 2HG2 ILE 36 243.579 -6.184 -8.271 319 HG23 ILE 36 3HG2 ILE 36 243.113 -7.356 -7.039 320 HD11 ILE 36 1HD1 ILE 36 245.009 -5.515 -9.571 321 HD12 ILE 36 2HD1 ILE 36 246.684 -5.612 -10.110 322 HD13 ILE 36 3HD1 ILE 36 246.308 -4.952 -8.519 323 H ASP 37 H ASP 37 244.830 -4.699 -4.528 324 HA ASP 37 HA ASP 37 243.423 -4.618 -2.752 325 HB2 ASP 37 1HB ASP 37 242.019 -6.641 -4.466 326 HB3 ASP 37 2HB ASP 37 241.385 -6.213 -2.882 327 H MET 38 H MET 38 245.576 -6.876 -3.016 328 HA MET 38 HA MET 38 245.161 -7.813 -0.313 329 HB2 MET 38 1HB MET 38 244.006 -9.507 -1.770 330 HB3 MET 38 2HB MET 38 245.547 -9.809 -2.558 331 HG2 MET 38 1HG MET 38 245.070 -11.509 -0.897 332 HG3 MET 38 2HG MET 38 246.494 -10.571 -0.450 333 HE1 MET 38 1HE MET 38 242.641 -11.068 0.174 334 HE2 MET 38 2HE MET 38 242.762 -9.331 -0.110 335 HE3 MET 38 3HE MET 38 242.350 -9.935 1.494 336 H CYS 39 H CYS 39 247.090 -7.615 0.669 337 HA CYS 39 HA CYS 39 249.355 -6.940 -0.979 338 HB2 CYS 39 1HB CYS 39 250.336 -6.050 0.907 339 HB3 CYS 39 2HB CYS 39 248.639 -5.929 1.353 340 H GLN 40 H GLN 40 251.339 -7.975 -0.988 341 HA GLN 40 HA GLN 40 251.165 -10.790 -1.170 342 HB2 GLN 40 1HB GLN 40 253.566 -10.667 -1.743 343 HB3 GLN 40 2HB GLN 40 252.585 -9.534 -2.661 344 HG2 GLN 40 1HG GLN 40 253.249 -7.811 -0.907 345 HG3 GLN 40 2HG GLN 40 254.474 -8.972 -0.410 346 HE21 GLN 40 1HE2 GLN 40 253.409 -6.826 -2.926 347 HE22 GLN 40 2HE2 GLN 40 254.887 -6.826 -3.826 348 H SER 41 H SER 41 251.633 -8.861 1.526 349 HA SER 41 HA SER 41 253.332 -10.715 2.954 350 HB2 SER 41 1HB SER 41 253.452 -8.314 3.464 351 HB3 SER 41 2HB SER 41 251.757 -8.322 3.942 352 HG SER 41 HG SER 41 252.649 -10.136 5.430 353 H CYS 42 H CYS 42 250.058 -10.496 2.161 354 HA CYS 42 HA CYS 42 249.304 -12.271 4.381 355 HB2 CYS 42 1HB CYS 42 247.621 -10.583 2.526 356 HB3 CYS 42 2HB CYS 42 246.939 -11.790 3.609 357 H PHE 43 H PHE 43 247.093 -13.479 3.148 358 HA PHE 43 HA PHE 43 248.387 -15.616 1.834 359 HB2 PHE 43 1HB PHE 43 246.195 -16.627 1.646 360 HB3 PHE 43 2HB PHE 43 246.369 -15.905 3.238 361 HD1 PHE 43 HD1 PHE 43 244.393 -16.096 0.283 362 HD2 PHE 43 HD2 PHE 43 245.298 -13.619 3.620 363 HE1 PHE 43 HE1 PHE 43 242.284 -14.878 -0.053 364 HE2 PHE 43 HE2 PHE 43 243.190 -12.395 3.291 365 HZ PHE 43 HZ PHE 43 241.679 -13.026 1.451 Start of MODEL 22 1 H1 VAL 1 1H VAL 1 249.155 16.718 10.533 2 H2 VAL 1 2H VAL 1 249.670 15.814 11.866 3 H3 VAL 1 3H VAL 1 248.339 16.846 12.009 4 HA VAL 1 HA VAL 1 247.647 14.548 11.859 5 HB VAL 1 HB VAL 1 246.971 16.161 9.386 6 HG11 VAL 1 1HG1 VAL 1 244.892 14.851 9.350 7 HG12 VAL 1 2HG1 VAL 1 245.488 13.881 10.694 8 HG13 VAL 1 3HG1 VAL 1 246.314 13.830 9.138 9 HG21 VAL 1 1HG2 VAL 1 246.542 17.390 11.454 10 HG22 VAL 1 2HG2 VAL 1 245.598 16.035 12.071 11 HG23 VAL 1 3HG2 VAL 1 245.033 16.935 10.663 12 H MET 2 H MET 2 248.330 12.604 11.270 13 HA MET 2 HA MET 2 249.914 12.377 8.797 14 HB2 MET 2 1HB MET 2 249.991 10.703 11.314 15 HB3 MET 2 2HB MET 2 250.889 10.329 9.849 16 HG2 MET 2 1HG MET 2 251.204 12.809 11.525 17 HG3 MET 2 2HG MET 2 252.289 11.422 11.511 18 HE1 MET 2 1HE MET 2 254.386 12.955 11.030 19 HE2 MET 2 2HE MET 2 253.326 14.362 11.112 20 HE3 MET 2 3HE MET 2 254.432 14.170 9.753 21 H LYS 3 H LYS 3 249.039 11.279 7.192 22 HA LYS 3 HA LYS 3 246.831 9.424 7.791 23 HB2 LYS 3 1HB LYS 3 247.274 11.056 5.278 24 HB3 LYS 3 2HB LYS 3 245.937 9.954 5.565 25 HG2 LYS 3 1HG LYS 3 246.488 12.452 7.153 26 HG3 LYS 3 2HG LYS 3 245.311 12.314 5.848 27 HD2 LYS 3 1HD LYS 3 245.270 10.693 8.393 28 HD3 LYS 3 2HD LYS 3 244.300 12.134 8.104 29 HE2 LYS 3 1HE LYS 3 244.177 9.558 6.539 30 HE3 LYS 3 2HE LYS 3 242.998 10.107 7.725 31 HZ1 LYS 3 1HZ LYS 3 243.629 11.420 5.136 32 HZ2 LYS 3 2HZ LYS 3 242.548 12.023 6.287 33 HZ3 LYS 3 3HZ LYS 3 242.222 10.561 5.509 34 H LYS 4 H LYS 4 248.696 7.927 8.099 35 HA LYS 4 HA LYS 4 250.292 7.198 5.858 36 HB2 LYS 4 1HB LYS 4 249.803 5.832 8.498 37 HB3 LYS 4 2HB LYS 4 250.898 5.198 7.279 38 HG2 LYS 4 1HG LYS 4 251.142 7.845 8.698 39 HG3 LYS 4 2HG LYS 4 252.124 6.408 8.978 40 HD2 LYS 4 1HD LYS 4 252.005 8.007 6.417 41 HD3 LYS 4 2HD LYS 4 253.309 8.044 7.597 42 HE2 LYS 4 1HE LYS 4 252.454 5.596 6.056 43 HE3 LYS 4 2HE LYS 4 253.807 6.636 5.619 44 HZ1 LYS 4 1HZ LYS 4 254.875 6.084 7.700 45 HZ2 LYS 4 2HZ LYS 4 254.519 4.672 6.842 46 HZ3 LYS 4 3HZ LYS 4 253.562 5.121 8.160 47 H ARG 5 H ARG 5 247.198 6.216 7.044 48 HA ARG 5 HA ARG 5 247.175 3.944 5.202 49 HB2 ARG 5 1HB ARG 5 245.146 4.715 7.304 50 HB3 ARG 5 2HB ARG 5 245.107 3.255 6.324 51 HG2 ARG 5 1HG ARG 5 247.325 2.643 7.317 52 HG3 ARG 5 2HG ARG 5 247.125 4.002 8.423 53 HD2 ARG 5 1HD ARG 5 244.965 2.979 9.154 54 HD3 ARG 5 2HD ARG 5 245.367 1.568 8.175 55 HE ARG 5 HE ARG 5 246.859 2.488 10.545 56 HH11 ARG 5 1HH1 ARG 5 246.006 -0.059 8.281 57 HH12 ARG 5 2HH1 ARG 5 246.833 -1.288 9.185 58 HH21 ARG 5 1HH2 ARG 5 247.930 0.860 11.715 59 HH22 ARG 5 2HH2 ARG 5 247.916 -0.774 11.129 60 H THR 6 H THR 6 247.075 6.762 4.399 61 HA THR 6 HA THR 6 244.569 6.659 2.856 62 HB THR 6 HB THR 6 246.366 9.037 3.383 63 HG1 THR 6 HG1 THR 6 244.650 7.973 4.987 64 HG21 THR 6 1HG2 THR 6 243.690 8.890 1.992 65 HG22 THR 6 2HG2 THR 6 245.245 9.164 1.206 66 HG23 THR 6 3HG2 THR 6 244.603 10.361 2.331 67 H TYR 7 H TYR 7 248.033 6.929 2.763 68 HA TYR 7 HA TYR 7 248.014 6.751 -0.161 69 HB2 TYR 7 1HB TYR 7 250.198 7.506 1.789 70 HB3 TYR 7 2HB TYR 7 250.472 7.271 0.067 71 HD1 TYR 7 HD1 TYR 7 249.052 9.469 2.614 72 HD2 TYR 7 HD2 TYR 7 249.566 8.845 -1.560 73 HE1 TYR 7 HE1 TYR 7 248.425 11.806 2.193 74 HE2 TYR 7 HE2 TYR 7 248.951 11.178 -1.991 75 HH TYR 7 HH TYR 7 248.817 13.526 0.402 76 H CYS 8 H CYS 8 249.130 5.121 -1.193 77 HA CYS 8 HA CYS 8 248.802 2.576 -0.178 78 HB2 CYS 8 1HB CYS 8 248.981 2.941 -2.533 79 HB3 CYS 8 2HB CYS 8 250.608 3.585 -2.369 80 H THR 9 H THR 9 249.798 1.451 1.284 81 HA THR 9 HA THR 9 252.037 2.428 2.699 82 HB THR 9 HB THR 9 250.867 -0.356 2.773 83 HG1 THR 9 HG1 THR 9 249.853 2.086 3.541 84 HG21 THR 9 1HG2 THR 9 252.965 -0.168 3.988 85 HG22 THR 9 2HG2 THR 9 251.621 -0.311 5.122 86 HG23 THR 9 3HG2 THR 9 252.369 1.260 4.836 87 H TYR 10 H TYR 10 251.687 0.146 0.075 88 HA TYR 10 HA TYR 10 254.376 -0.858 0.361 89 HB2 TYR 10 1HB TYR 10 252.133 -1.411 -1.544 90 HB3 TYR 10 2HB TYR 10 253.769 -1.957 -1.915 91 HD1 TYR 10 HD1 TYR 10 251.132 -2.118 0.701 92 HD2 TYR 10 HD2 TYR 10 254.611 -3.908 -0.962 93 HE1 TYR 10 HE1 TYR 10 250.847 -4.044 2.196 94 HE2 TYR 10 HE2 TYR 10 254.334 -5.844 0.523 95 HH TYR 10 HH TYR 10 251.485 -6.329 2.410 96 H CYS 11 H CYS 11 252.934 1.824 -1.055 97 HA CYS 11 HA CYS 11 255.089 2.268 -2.942 98 HB2 CYS 11 1HB CYS 11 252.614 3.751 -2.165 99 HB3 CYS 11 2HB CYS 11 253.932 4.651 -2.898 100 HA PRO 12 HA PRO 12 257.792 4.202 0.008 101 HB2 PRO 12 1HB PRO 12 258.624 5.997 -2.180 102 HB3 PRO 12 2HB PRO 12 259.586 4.848 -1.248 103 HG2 PRO 12 1HG PRO 12 258.932 4.395 -3.815 104 HG3 PRO 12 2HG PRO 12 259.062 3.081 -2.630 105 HD2 PRO 12 1HD PRO 12 256.623 4.402 -3.741 106 HD3 PRO 12 2HD PRO 12 256.908 2.693 -3.351 107 H SER 13 H SER 13 257.619 5.901 1.371 108 HA SER 13 HA SER 13 255.247 7.349 1.387 109 HB2 SER 13 1HB SER 13 257.782 7.948 2.924 110 HB3 SER 13 2HB SER 13 256.165 8.521 3.329 111 HG SER 13 HG SER 13 256.155 5.843 3.015 112 H LYS 14 H LYS 14 258.327 8.218 0.007 113 HA LYS 14 HA LYS 14 257.774 11.024 -0.162 114 HB2 LYS 14 1HB LYS 14 259.811 9.313 -1.587 115 HB3 LYS 14 2HB LYS 14 259.752 11.067 -1.665 116 HG2 LYS 14 1HG LYS 14 260.216 11.243 0.685 117 HG3 LYS 14 2HG LYS 14 260.118 9.490 0.871 118 HD2 LYS 14 1HD LYS 14 262.036 9.222 -0.615 119 HD3 LYS 14 2HD LYS 14 262.129 10.971 -0.817 120 HE2 LYS 14 1HE LYS 14 262.575 11.230 1.568 121 HE3 LYS 14 2HE LYS 14 262.461 9.482 1.784 122 HZ1 LYS 14 1HZ LYS 14 264.481 10.921 0.155 123 HZ2 LYS 14 2HZ LYS 14 264.352 9.240 0.268 124 HZ3 LYS 14 3HZ LYS 14 264.751 10.150 1.635 125 H ILE 15 H ILE 15 256.981 8.258 -2.058 126 HA ILE 15 HA ILE 15 256.624 9.619 -4.552 127 HB ILE 15 HB ILE 15 255.564 6.955 -3.594 128 HG12 ILE 15 1HG1 ILE 15 257.989 7.008 -3.684 129 HG13 ILE 15 2HG1 ILE 15 257.373 6.021 -5.004 130 HG21 ILE 15 1HG2 ILE 15 254.186 7.823 -5.410 131 HG22 ILE 15 2HG2 ILE 15 255.135 6.433 -5.937 132 HG23 ILE 15 3HG2 ILE 15 255.629 8.061 -6.397 133 HD11 ILE 15 1HD1 ILE 15 259.191 7.364 -5.789 134 HD12 ILE 15 2HD1 ILE 15 258.424 8.831 -5.185 135 HD13 ILE 15 3HD1 ILE 15 257.695 7.944 -6.523 136 H ARG 16 H ARG 16 254.579 8.819 -1.814 137 HA ARG 16 HA ARG 16 252.464 9.401 -1.233 138 HB2 ARG 16 1HB ARG 16 253.238 11.781 -2.913 139 HB3 ARG 16 2HB ARG 16 251.728 11.698 -2.013 140 HG2 ARG 16 1HG ARG 16 252.947 11.474 0.068 141 HG3 ARG 16 2HG ARG 16 254.478 11.472 -0.809 142 HD2 ARG 16 1HD ARG 16 254.087 13.734 -1.567 143 HD3 ARG 16 2HD ARG 16 252.491 13.738 -0.817 144 HE ARG 16 HE ARG 16 254.231 13.175 1.224 145 HH11 ARG 16 1HH1 ARG 16 253.903 15.769 -1.103 146 HH12 ARG 16 2HH1 ARG 16 254.522 16.981 -0.032 147 HH21 ARG 16 1HH2 ARG 16 255.050 14.774 2.637 148 HH22 ARG 16 2HH2 ARG 16 255.177 16.415 2.095 149 H ARG 17 H ARG 17 252.029 7.488 -2.683 150 HA ARG 17 HA ARG 17 250.353 8.230 -4.972 151 HB2 ARG 17 1HB ARG 17 252.136 6.491 -5.282 152 HB3 ARG 17 2HB ARG 17 251.303 5.488 -4.104 153 HG2 ARG 17 1HG ARG 17 250.702 4.684 -6.242 154 HG3 ARG 17 2HG ARG 17 249.298 5.547 -5.611 155 HD2 ARG 17 1HD ARG 17 249.926 7.513 -6.940 156 HD3 ARG 17 2HD ARG 17 251.314 6.639 -7.575 157 HE ARG 17 HE ARG 17 248.762 5.356 -8.018 158 HH11 ARG 17 1HH1 ARG 17 251.158 7.581 -9.253 159 HH12 ARG 17 2HH1 ARG 17 250.654 7.418 -10.904 160 HH21 ARG 17 1HH2 ARG 17 248.098 5.120 -10.203 161 HH22 ARG 17 2HH2 ARG 17 248.924 5.999 -11.448 162 H LYS 18 H LYS 18 248.227 8.353 -4.632 163 HA LYS 18 HA LYS 18 247.029 7.722 -2.162 164 HB2 LYS 18 1HB LYS 18 245.869 8.343 -4.873 165 HB3 LYS 18 2HB LYS 18 244.845 7.958 -3.501 166 HG2 LYS 18 1HG LYS 18 244.889 10.290 -3.587 167 HG3 LYS 18 2HG LYS 18 246.010 9.868 -2.293 168 HD2 LYS 18 1HD LYS 18 247.896 10.225 -3.748 169 HD3 LYS 18 2HD LYS 18 246.827 10.487 -5.127 170 HE2 LYS 18 1HE LYS 18 245.920 12.478 -4.068 171 HE3 LYS 18 2HE LYS 18 246.932 12.205 -2.652 172 HZ1 LYS 18 1HZ LYS 18 247.846 13.873 -4.170 173 HZ2 LYS 18 2HZ LYS 18 247.958 12.710 -5.391 174 HZ3 LYS 18 3HZ LYS 18 248.885 12.553 -3.986 175 H ALA 19 H ALA 19 245.973 5.968 -1.432 176 HA ALA 19 HA ALA 19 246.327 3.491 -2.848 177 HB1 ALA 19 1HB ALA 19 245.325 2.465 -0.883 178 HB2 ALA 19 2HB ALA 19 244.880 4.057 -0.262 179 HB3 ALA 19 3HB ALA 19 246.581 3.612 -0.418 180 H ASN 20 H ASN 20 244.696 2.120 -3.590 181 HA ASN 20 HA ASN 20 242.186 3.510 -4.251 182 HB2 ASN 20 1HB ASN 20 243.427 1.149 -5.688 183 HB3 ASN 20 2HB ASN 20 242.015 2.065 -6.198 184 HD21 ASN 20 1HD2 ASN 20 242.299 4.171 -7.010 185 HD22 ASN 20 2HD2 ASN 20 243.834 4.702 -7.601 186 H ALA 21 H ALA 21 243.596 0.811 -2.680 187 HA ALA 21 HA ALA 21 240.982 -0.089 -1.784 188 HB1 ALA 21 1HB ALA 21 241.446 -2.431 -2.311 189 HB2 ALA 21 2HB ALA 21 242.953 -1.961 -3.098 190 HB3 ALA 21 3HB ALA 21 241.406 -1.449 -3.775 191 H SER 22 H SER 22 241.268 -1.794 -0.055 192 HA SER 22 HA SER 22 243.780 -1.374 1.411 193 HB2 SER 22 1HB SER 22 241.035 -1.607 2.664 194 HB3 SER 22 2HB SER 22 242.554 -1.255 3.488 195 HG SER 22 HG SER 22 242.316 0.548 1.589 196 H CYS 23 H CYS 23 244.741 -3.179 2.130 197 HA CYS 23 HA CYS 23 243.704 -5.745 1.449 198 HB2 CYS 23 1HB CYS 23 246.115 -5.292 1.509 199 HB3 CYS 23 2HB CYS 23 246.017 -4.961 3.234 200 H LYS 24 H LYS 24 242.083 -6.662 2.504 201 HA LYS 24 HA LYS 24 241.028 -5.583 4.884 202 HB2 LYS 24 1HB LYS 24 240.399 -8.304 3.746 203 HB3 LYS 24 2HB LYS 24 239.371 -7.311 4.764 204 HG2 LYS 24 1HG LYS 24 240.195 -6.655 1.942 205 HG3 LYS 24 2HG LYS 24 238.638 -7.314 2.435 206 HD2 LYS 24 1HD LYS 24 238.219 -5.303 3.776 207 HD3 LYS 24 2HD LYS 24 239.776 -4.645 3.265 208 HE2 LYS 24 1HE LYS 24 239.032 -4.684 0.938 209 HE3 LYS 24 2HE LYS 24 237.482 -5.352 1.441 210 HZ1 LYS 24 1HZ LYS 24 237.334 -2.980 1.072 211 HZ2 LYS 24 2HZ LYS 24 238.550 -2.692 2.207 212 HZ3 LYS 24 3HZ LYS 24 237.069 -3.331 2.703 213 H LYS 25 H LYS 25 243.445 -7.950 4.362 214 HA LYS 25 HA LYS 25 242.948 -9.418 6.785 215 HB2 LYS 25 1HB LYS 25 245.325 -9.528 4.931 216 HB3 LYS 25 2HB LYS 25 244.957 -10.681 6.204 217 HG2 LYS 25 1HG LYS 25 243.298 -10.172 3.743 218 HG3 LYS 25 2HG LYS 25 244.357 -11.552 4.019 219 HD2 LYS 25 1HD LYS 25 241.928 -10.857 5.672 220 HD3 LYS 25 2HD LYS 25 241.984 -12.086 4.411 221 HE2 LYS 25 1HE LYS 25 243.610 -12.075 6.952 222 HE3 LYS 25 2HE LYS 25 242.201 -13.081 6.630 223 HZ1 LYS 25 1HZ LYS 25 244.780 -13.172 5.162 224 HZ2 LYS 25 2HZ LYS 25 243.426 -14.115 4.803 225 HZ3 LYS 25 3HZ LYS 25 244.229 -14.315 6.278 226 H CYS 26 H CYS 26 244.712 -6.560 6.024 227 HA CYS 26 HA CYS 26 245.851 -6.648 8.723 228 HB2 CYS 26 1HB CYS 26 248.032 -5.872 7.946 229 HB3 CYS 26 2HB CYS 26 247.621 -7.424 7.222 230 H LYS 27 H LYS 27 244.111 -4.947 6.474 231 HA LYS 27 HA LYS 27 243.218 -2.872 6.450 232 HB2 LYS 27 1HB LYS 27 244.511 -2.696 9.168 233 HB3 LYS 27 2HB LYS 27 243.520 -1.413 8.492 234 HG2 LYS 27 1HG LYS 27 242.588 -4.235 8.995 235 HG3 LYS 27 2HG LYS 27 242.290 -2.860 10.060 236 HD2 LYS 27 1HD LYS 27 241.349 -3.137 7.207 237 HD3 LYS 27 2HD LYS 27 240.353 -3.320 8.648 238 HE2 LYS 27 1HE LYS 27 240.780 -0.986 9.240 239 HE3 LYS 27 2HE LYS 27 241.789 -0.803 7.808 240 HZ1 LYS 27 1HZ LYS 27 239.847 -1.295 6.441 241 HZ2 LYS 27 2HZ LYS 27 239.592 0.065 7.410 242 HZ3 LYS 27 3HZ LYS 27 238.886 -1.411 7.828 243 H LYS 28 H LYS 28 246.094 -3.465 5.610 244 HA LYS 28 HA LYS 28 247.144 -0.741 5.617 245 HB2 LYS 28 1HB LYS 28 248.300 -3.334 4.580 246 HB3 LYS 28 2HB LYS 28 249.080 -1.771 4.385 247 HG2 LYS 28 1HG LYS 28 249.243 -1.522 6.793 248 HG3 LYS 28 2HG LYS 28 248.395 -3.052 7.025 249 HD2 LYS 28 1HD LYS 28 250.205 -4.236 5.901 250 HD3 LYS 28 2HD LYS 28 251.046 -2.712 5.625 251 HE2 LYS 28 1HE LYS 28 252.002 -3.871 7.533 252 HE3 LYS 28 2HE LYS 28 251.222 -2.378 8.050 253 HZ1 LYS 28 1HZ LYS 28 249.307 -3.672 8.756 254 HZ2 LYS 28 2HZ LYS 28 250.706 -4.206 9.533 255 HZ3 LYS 28 3HZ LYS 28 250.059 -5.102 8.257 256 H VAL 29 H VAL 29 247.256 0.522 3.812 257 HA VAL 29 HA VAL 29 245.285 -0.216 1.800 258 HB VAL 29 HB VAL 29 245.222 2.170 1.243 259 HG11 VAL 29 1HG1 VAL 29 243.726 1.330 2.950 260 HG12 VAL 29 2HG1 VAL 29 244.262 2.956 3.374 261 HG13 VAL 29 3HG1 VAL 29 244.964 1.556 4.184 262 HG21 VAL 29 1HG2 VAL 29 247.271 2.464 3.438 263 HG22 VAL 29 2HG2 VAL 29 246.431 3.793 2.638 264 HG23 VAL 29 3HG2 VAL 29 247.530 2.765 1.721 265 H ILE 30 H ILE 30 245.638 -0.020 -0.418 266 HA ILE 30 HA ILE 30 248.448 0.106 -1.255 267 HB ILE 30 HB ILE 30 248.057 -1.957 -2.652 268 HG12 ILE 30 1HG1 ILE 30 245.619 -2.117 -0.869 269 HG13 ILE 30 2HG1 ILE 30 245.658 -2.088 -2.626 270 HG21 ILE 30 1HG2 ILE 30 249.423 -2.001 -0.637 271 HG22 ILE 30 2HG2 ILE 30 248.515 -3.504 -0.806 272 HG23 ILE 30 3HG2 ILE 30 247.985 -2.279 0.348 273 HD11 ILE 30 1HD1 ILE 30 245.175 -4.305 -1.928 274 HD12 ILE 30 2HD1 ILE 30 246.539 -4.311 -0.811 275 HD13 ILE 30 3HD1 ILE 30 246.825 -4.289 -2.549 276 H CYS 31 H CYS 31 248.782 0.461 -3.465 277 HA CYS 31 HA CYS 31 246.605 1.841 -4.832 278 HB2 CYS 31 1HB CYS 31 248.299 2.689 -6.320 279 HB3 CYS 31 2HB CYS 31 248.940 2.816 -4.685 280 H ARG 32 H ARG 32 246.358 1.367 -7.249 281 HA ARG 32 HA ARG 32 245.612 -1.286 -7.607 282 HB2 ARG 32 1HB ARG 32 246.220 0.827 -9.662 283 HB3 ARG 32 2HB ARG 32 245.530 -0.738 -10.058 284 HG2 ARG 32 1HG ARG 32 244.290 1.329 -8.259 285 HG3 ARG 32 2HG ARG 32 243.825 0.984 -9.922 286 HD2 ARG 32 1HD ARG 32 243.602 -0.867 -7.552 287 HD3 ARG 32 2HD ARG 32 242.280 -0.094 -8.421 288 HE ARG 32 HE ARG 32 243.950 -1.807 -10.044 289 HH11 ARG 32 1HH1 ARG 32 241.119 -1.609 -8.000 290 HH12 ARG 32 2HH1 ARG 32 240.380 -3.029 -8.664 291 HH21 ARG 32 1HH2 ARG 32 242.985 -3.683 -10.920 292 HH22 ARG 32 2HH2 ARG 32 241.445 -4.217 -10.324 293 H GLU 33 H GLU 33 248.603 0.325 -8.503 294 HA GLU 33 HA GLU 33 249.725 -1.765 -10.023 295 HB2 GLU 33 1HB GLU 33 250.507 0.583 -10.063 296 HB3 GLU 33 2HB GLU 33 251.132 0.387 -8.434 297 HG2 GLU 33 1HG GLU 33 252.678 -1.330 -9.242 298 HG3 GLU 33 2HG GLU 33 252.061 -1.101 -10.877 299 H HIS 34 H HIS 34 249.351 -1.328 -6.628 300 HA HIS 34 HA HIS 34 251.157 -3.609 -6.118 301 HB2 HIS 34 1HB HIS 34 250.425 -1.257 -4.367 302 HB3 HIS 34 2HB HIS 34 251.150 -2.720 -3.715 303 HD2 HIS 34 HD2 HIS 34 253.376 -3.061 -6.174 304 HE1 HIS 34 HE1 HIS 34 254.752 0.623 -4.612 305 HE2 HIS 34 HE2 HIS 34 255.406 -1.469 -5.888 306 H ASN 35 H ASN 35 248.197 -3.370 -6.846 307 HA ASN 35 HA ASN 35 246.992 -4.434 -4.393 308 HB2 ASN 35 1HB ASN 35 245.881 -2.445 -5.042 309 HB3 ASN 35 2HB ASN 35 245.812 -2.952 -6.722 310 HD21 ASN 35 1HD2 ASN 35 244.175 -4.271 -7.406 311 HD22 ASN 35 2HD2 ASN 35 242.832 -4.707 -6.405 312 H ILE 36 H ILE 36 246.605 -6.487 -4.300 313 HA ILE 36 HA ILE 36 245.430 -7.801 -6.666 314 HB ILE 36 HB ILE 36 246.150 -9.968 -5.707 315 HG12 ILE 36 1HG1 ILE 36 247.703 -8.281 -3.727 316 HG13 ILE 36 2HG1 ILE 36 246.286 -9.249 -3.340 317 HG21 ILE 36 1HG2 ILE 36 248.407 -8.016 -6.141 318 HG22 ILE 36 2HG2 ILE 36 247.534 -8.896 -7.395 319 HG23 ILE 36 3HG2 ILE 36 248.536 -9.772 -6.237 320 HD11 ILE 36 1HD1 ILE 36 248.917 -10.315 -4.341 321 HD12 ILE 36 2HD1 ILE 36 247.502 -11.275 -3.905 322 HD13 ILE 36 3HD1 ILE 36 248.354 -10.347 -2.670 323 H ASP 37 H ASP 37 244.015 -6.138 -5.071 324 HA ASP 37 HA ASP 37 242.495 -5.703 -3.488 325 HB2 ASP 37 1HB ASP 37 240.568 -7.068 -3.343 326 HB3 ASP 37 2HB ASP 37 241.159 -7.210 -4.987 327 H MET 38 H MET 38 244.973 -7.381 -2.844 328 HA MET 38 HA MET 38 244.628 -7.281 0.013 329 HB2 MET 38 1HB MET 38 245.272 -9.848 -1.460 330 HB3 MET 38 2HB MET 38 245.713 -9.595 0.221 331 HG2 MET 38 1HG MET 38 242.912 -9.530 -0.870 332 HG3 MET 38 2HG MET 38 243.655 -10.891 -0.032 333 HE1 MET 38 1HE MET 38 240.857 -9.590 0.874 334 HE2 MET 38 2HE MET 38 241.108 -9.678 2.616 335 HE3 MET 38 3HE MET 38 241.655 -10.994 1.581 336 H CYS 39 H CYS 39 246.907 -7.820 0.983 337 HA CYS 39 HA CYS 39 248.901 -6.755 -0.893 338 HB2 CYS 39 1HB CYS 39 249.977 -5.682 0.842 339 HB3 CYS 39 2HB CYS 39 248.317 -5.619 1.419 340 H GLN 40 H GLN 40 250.955 -7.703 -0.961 341 HA GLN 40 HA GLN 40 250.802 -10.483 -1.224 342 HB2 GLN 40 1HB GLN 40 253.172 -10.384 -1.818 343 HB3 GLN 40 2HB GLN 40 252.256 -9.106 -2.605 344 HG2 GLN 40 1HG GLN 40 253.031 -7.556 -0.812 345 HG3 GLN 40 2HG GLN 40 254.073 -8.849 -0.227 346 HE21 GLN 40 1HE2 GLN 40 255.939 -7.674 -0.623 347 HE22 GLN 40 2HE2 GLN 40 256.528 -7.389 -2.225 348 H SER 41 H SER 41 251.568 -8.642 1.562 349 HA SER 41 HA SER 41 253.173 -10.656 2.832 350 HB2 SER 41 1HB SER 41 253.389 -8.275 3.442 351 HB3 SER 41 2HB SER 41 251.732 -8.281 4.039 352 HG SER 41 HG SER 41 253.884 -9.847 5.047 353 H CYS 42 H CYS 42 249.829 -10.170 2.325 354 HA CYS 42 HA CYS 42 249.161 -12.081 4.459 355 HB2 CYS 42 1HB CYS 42 247.356 -10.221 2.900 356 HB3 CYS 42 2HB CYS 42 246.818 -11.347 4.140 357 H PHE 43 H PHE 43 249.936 -12.101 1.291 358 HA PHE 43 HA PHE 43 247.853 -13.793 0.267 359 HB2 PHE 43 1HB PHE 43 249.118 -12.274 -1.212 360 HB3 PHE 43 2HB PHE 43 250.589 -13.175 -0.874 361 HD1 PHE 43 HD1 PHE 43 247.298 -13.317 -2.511 362 HD2 PHE 43 HD2 PHE 43 251.066 -15.222 -1.992 363 HE1 PHE 43 HE1 PHE 43 246.795 -14.818 -4.394 364 HE2 PHE 43 HE2 PHE 43 250.570 -16.724 -3.875 365 HZ PHE 43 HZ PHE 43 248.431 -16.523 -5.079 Start of MODEL 23 1 H1 VAL 1 1H VAL 1 248.584 10.865 17.060 2 H2 VAL 1 2H VAL 1 249.673 11.165 15.803 3 H3 VAL 1 3H VAL 1 249.638 9.650 16.545 4 HA VAL 1 HA VAL 1 247.435 9.238 15.727 5 HB VAL 1 HB VAL 1 246.605 11.523 15.681 6 HG11 VAL 1 1HG1 VAL 1 248.593 12.706 14.989 7 HG12 VAL 1 2HG1 VAL 1 247.261 13.095 13.900 8 HG13 VAL 1 3HG1 VAL 1 248.515 11.964 13.392 9 HG21 VAL 1 1HG2 VAL 1 245.438 9.951 14.277 10 HG22 VAL 1 2HG2 VAL 1 246.574 10.229 12.959 11 HG23 VAL 1 3HG2 VAL 1 245.488 11.520 13.475 12 H MET 2 H MET 2 247.525 7.766 14.142 13 HA MET 2 HA MET 2 249.697 8.048 12.177 14 HB2 MET 2 1HB MET 2 249.845 5.551 12.188 15 HB3 MET 2 2HB MET 2 250.330 6.311 13.693 16 HG2 MET 2 1HG MET 2 247.597 5.144 13.260 17 HG3 MET 2 2HG MET 2 248.955 4.209 13.878 18 HE1 MET 2 1HE MET 2 246.289 4.326 15.485 19 HE2 MET 2 2HE MET 2 246.860 4.663 17.119 20 HE3 MET 2 3HE MET 2 247.739 3.529 16.094 21 H LYS 3 H LYS 3 247.444 9.145 11.432 22 HA LYS 3 HA LYS 3 246.080 7.186 9.718 23 HB2 LYS 3 1HB LYS 3 245.255 9.933 10.659 24 HB3 LYS 3 2HB LYS 3 244.418 9.080 9.372 25 HG2 LYS 3 1HG LYS 3 244.764 8.006 12.162 26 HG3 LYS 3 2HG LYS 3 243.340 8.882 11.599 27 HD2 LYS 3 1HD LYS 3 243.017 7.167 9.853 28 HD3 LYS 3 2HD LYS 3 244.397 6.281 10.495 29 HE2 LYS 3 1HE LYS 3 241.843 6.903 11.974 30 HE3 LYS 3 2HE LYS 3 242.287 5.341 11.292 31 HZ1 LYS 3 1HZ LYS 3 243.716 6.760 13.473 32 HZ2 LYS 3 2HZ LYS 3 244.185 5.281 12.803 33 HZ3 LYS 3 3HZ LYS 3 242.729 5.400 13.650 34 H LYS 4 H LYS 4 248.354 7.446 8.683 35 HA LYS 4 HA LYS 4 248.240 9.601 6.684 36 HB2 LYS 4 1HB LYS 4 250.583 7.923 7.600 37 HB3 LYS 4 2HB LYS 4 250.652 9.123 6.317 38 HG2 LYS 4 1HG LYS 4 249.924 9.717 9.176 39 HG3 LYS 4 2HG LYS 4 251.531 9.933 8.477 40 HD2 LYS 4 1HD LYS 4 250.612 11.525 6.861 41 HD3 LYS 4 2HD LYS 4 249.006 11.304 7.554 42 HE2 LYS 4 1HE LYS 4 250.116 13.351 8.355 43 HE3 LYS 4 2HE LYS 4 249.738 12.228 9.657 44 HZ1 LYS 4 1HZ LYS 4 252.024 11.503 9.674 45 HZ2 LYS 4 2HZ LYS 4 251.958 13.180 9.870 46 HZ3 LYS 4 3HZ LYS 4 252.399 12.522 8.378 47 H ARG 5 H ARG 5 246.687 7.184 6.642 48 HA ARG 5 HA ARG 5 247.938 5.374 4.764 49 HB2 ARG 5 1HB ARG 5 245.110 5.380 5.833 50 HB3 ARG 5 2HB ARG 5 245.895 4.064 4.975 51 HG2 ARG 5 1HG ARG 5 247.501 3.830 6.803 52 HG3 ARG 5 2HG ARG 5 246.700 5.141 7.668 53 HD2 ARG 5 1HD ARG 5 245.411 2.538 6.859 54 HD3 ARG 5 2HD ARG 5 246.019 2.914 8.470 55 HE ARG 5 HE ARG 5 244.096 4.826 7.532 56 HH11 ARG 5 1HH1 ARG 5 244.497 1.706 9.072 57 HH12 ARG 5 2HH1 ARG 5 242.939 1.734 9.834 58 HH21 ARG 5 1HH2 ARG 5 242.034 4.871 8.549 59 HH22 ARG 5 2HH2 ARG 5 241.540 3.533 9.537 60 H THR 6 H THR 6 247.763 7.900 3.693 61 HA THR 6 HA THR 6 245.486 7.983 1.890 62 HB THR 6 HB THR 6 247.893 9.806 2.091 63 HG1 THR 6 HG1 THR 6 245.247 10.431 2.898 64 HG21 THR 6 1HG2 THR 6 246.565 11.379 0.758 65 HG22 THR 6 2HG2 THR 6 245.293 10.169 0.600 66 HG23 THR 6 3HG2 THR 6 246.873 9.884 -0.128 67 H TYR 7 H TYR 7 248.872 7.177 1.869 68 HA TYR 7 HA TYR 7 248.750 6.710 -1.029 69 HB2 TYR 7 1HB TYR 7 251.122 7.417 0.708 70 HB3 TYR 7 2HB TYR 7 251.231 6.984 -0.995 71 HD1 TYR 7 HD1 TYR 7 250.756 9.637 1.332 72 HD2 TYR 7 HD2 TYR 7 249.911 8.435 -2.658 73 HE1 TYR 7 HE1 TYR 7 250.370 11.984 0.714 74 HE2 TYR 7 HE2 TYR 7 249.528 10.775 -3.288 75 HH TYR 7 HH TYR 7 250.416 13.385 -1.312 76 H CYS 8 H CYS 8 249.845 4.909 -1.855 77 HA CYS 8 HA CYS 8 249.293 2.510 -0.578 78 HB2 CYS 8 1HB CYS 8 249.499 2.513 -2.925 79 HB3 CYS 8 2HB CYS 8 251.098 3.232 -2.872 80 H THR 9 H THR 9 250.245 1.374 0.926 81 HA THR 9 HA THR 9 252.425 2.333 2.405 82 HB THR 9 HB THR 9 251.361 -0.494 2.424 83 HG1 THR 9 HG1 THR 9 249.587 0.821 2.685 84 HG21 THR 9 1HG2 THR 9 252.667 1.212 4.545 85 HG22 THR 9 2HG2 THR 9 253.357 -0.212 3.765 86 HG23 THR 9 3HG2 THR 9 251.956 -0.377 4.824 87 H TYR 10 H TYR 10 252.269 0.137 -0.296 88 HA TYR 10 HA TYR 10 254.958 -0.860 0.118 89 HB2 TYR 10 1HB TYR 10 252.819 -1.378 -1.921 90 HB3 TYR 10 2HB TYR 10 254.474 -1.900 -2.217 91 HD1 TYR 10 HD1 TYR 10 254.938 -4.074 -1.690 92 HD2 TYR 10 HD2 TYR 10 252.006 -2.016 0.599 93 HE1 TYR 10 HE1 TYR 10 254.566 -6.103 -0.355 94 HE2 TYR 10 HE2 TYR 10 251.626 -4.034 1.943 95 HH TYR 10 HH TYR 10 253.723 -6.664 1.930 96 H CYS 11 H CYS 11 253.429 1.722 -1.492 97 HA CYS 11 HA CYS 11 255.708 2.215 -3.244 98 HB2 CYS 11 1HB CYS 11 252.972 3.409 -2.972 99 HB3 CYS 11 2HB CYS 11 254.234 4.291 -3.816 100 HA PRO 12 HA PRO 12 257.497 5.127 -0.387 101 HB2 PRO 12 1HB PRO 12 258.434 6.691 -2.682 102 HB3 PRO 12 2HB PRO 12 259.375 5.825 -1.469 103 HG2 PRO 12 1HG PRO 12 259.198 4.981 -4.028 104 HG3 PRO 12 2HG PRO 12 259.359 3.859 -2.664 105 HD2 PRO 12 1HD PRO 12 256.924 4.604 -4.235 106 HD3 PRO 12 2HD PRO 12 257.421 3.019 -3.603 107 H SER 13 H SER 13 256.503 6.742 0.633 108 HA SER 13 HA SER 13 254.166 7.913 -0.363 109 HB2 SER 13 1HB SER 13 255.870 8.826 1.964 110 HB3 SER 13 2HB SER 13 254.180 9.243 1.688 111 HG SER 13 HG SER 13 253.888 7.530 2.899 112 H LYS 14 H LYS 14 257.466 8.918 -0.667 113 HA LYS 14 HA LYS 14 256.813 11.646 -1.335 114 HB2 LYS 14 1HB LYS 14 259.389 10.094 -1.603 115 HB3 LYS 14 2HB LYS 14 259.221 11.809 -1.949 116 HG2 LYS 14 1HG LYS 14 258.747 10.499 0.718 117 HG3 LYS 14 2HG LYS 14 260.169 11.437 0.260 118 HD2 LYS 14 1HD LYS 14 258.756 13.408 -0.077 119 HD3 LYS 14 2HD LYS 14 257.336 12.468 0.378 120 HE2 LYS 14 1HE LYS 14 258.301 12.096 2.598 121 HE3 LYS 14 2HE LYS 14 259.706 13.058 2.143 122 HZ1 LYS 14 1HZ LYS 14 256.909 14.044 2.260 123 HZ2 LYS 14 2HZ LYS 14 258.265 14.966 1.848 124 HZ3 LYS 14 3HZ LYS 14 258.107 14.349 3.412 125 H ILE 15 H ILE 15 256.596 8.741 -2.964 126 HA ILE 15 HA ILE 15 256.961 9.945 -5.600 127 HB ILE 15 HB ILE 15 256.200 7.125 -4.807 128 HG12 ILE 15 1HG1 ILE 15 258.498 7.743 -4.221 129 HG13 ILE 15 2HG1 ILE 15 258.476 6.554 -5.519 130 HG21 ILE 15 1HG2 ILE 15 256.929 8.163 -7.542 131 HG22 ILE 15 2HG2 ILE 15 255.297 7.750 -7.017 132 HG23 ILE 15 3HG2 ILE 15 256.536 6.497 -7.116 133 HD11 ILE 15 1HD1 ILE 15 260.149 8.223 -5.954 134 HD12 ILE 15 2HD1 ILE 15 258.959 9.512 -5.790 135 HD13 ILE 15 3HD1 ILE 15 258.850 8.377 -7.136 136 H ARG 16 H ARG 16 254.622 9.501 -3.262 137 HA ARG 16 HA ARG 16 252.463 10.135 -3.073 138 HB2 ARG 16 1HB ARG 16 253.072 11.531 -5.674 139 HB3 ARG 16 2HB ARG 16 251.595 11.768 -4.752 140 HG2 ARG 16 1HG ARG 16 252.850 12.657 -2.891 141 HG3 ARG 16 2HG ARG 16 254.371 12.320 -3.723 142 HD2 ARG 16 1HD ARG 16 252.221 14.203 -4.682 143 HD3 ARG 16 2HD ARG 16 253.731 14.683 -3.907 144 HE ARG 16 HE ARG 16 254.624 13.247 -5.979 145 HH11 ARG 16 1HH1 ARG 16 252.227 15.789 -5.809 146 HH12 ARG 16 2HH1 ARG 16 252.531 16.359 -7.418 147 HH21 ARG 16 1HH2 ARG 16 255.024 13.978 -8.094 148 HH22 ARG 16 2HH2 ARG 16 254.122 15.317 -8.727 149 H ARG 17 H ARG 17 252.787 7.574 -4.046 150 HA ARG 17 HA ARG 17 250.915 7.228 -6.226 151 HB2 ARG 17 1HB ARG 17 252.349 5.228 -4.474 152 HB3 ARG 17 2HB ARG 17 251.249 4.782 -5.771 153 HG2 ARG 17 1HG ARG 17 253.733 6.430 -6.171 154 HG3 ARG 17 2HG ARG 17 253.669 4.678 -6.361 155 HD2 ARG 17 1HD ARG 17 251.954 4.949 -8.105 156 HD3 ARG 17 2HD ARG 17 252.060 6.700 -7.927 157 HE ARG 17 HE ARG 17 254.474 6.395 -8.595 158 HH11 ARG 17 1HH1 ARG 17 251.927 4.245 -9.699 159 HH12 ARG 17 2HH1 ARG 17 252.790 3.777 -11.131 160 HH21 ARG 17 1HH2 ARG 17 255.596 5.759 -10.471 161 HH22 ARG 17 2HH2 ARG 17 254.873 4.615 -11.555 162 H LYS 18 H LYS 18 248.869 7.560 -5.810 163 HA LYS 18 HA LYS 18 247.729 7.520 -3.226 164 HB2 LYS 18 1HB LYS 18 246.507 7.620 -5.983 165 HB3 LYS 18 2HB LYS 18 245.529 7.628 -4.525 166 HG2 LYS 18 1HG LYS 18 245.751 9.873 -5.248 167 HG3 LYS 18 2HG LYS 18 246.756 9.689 -3.812 168 HD2 LYS 18 1HD LYS 18 248.746 9.581 -5.143 169 HD3 LYS 18 2HD LYS 18 247.805 9.522 -6.632 170 HE2 LYS 18 1HE LYS 18 247.751 11.836 -4.707 171 HE3 LYS 18 2HE LYS 18 248.821 11.753 -6.104 172 HZ1 LYS 18 1HZ LYS 18 245.856 11.648 -6.219 173 HZ2 LYS 18 2HZ LYS 18 246.905 11.650 -7.545 174 HZ3 LYS 18 3HZ LYS 18 246.793 13.015 -6.553 175 H ALA 19 H ALA 19 246.679 5.975 -2.131 176 HA ALA 19 HA ALA 19 246.836 3.275 -3.129 177 HB1 ALA 19 1HB ALA 19 246.087 2.613 -0.938 178 HB2 ALA 19 2HB ALA 19 245.681 4.283 -0.536 179 HB3 ALA 19 3HB ALA 19 247.365 3.819 -0.787 180 H ASN 20 H ASN 20 245.368 2.927 -4.724 181 HA ASN 20 HA ASN 20 242.619 3.793 -4.434 182 HB2 ASN 20 1HB ASN 20 244.000 2.192 -6.592 183 HB3 ASN 20 2HB ASN 20 242.283 2.547 -6.608 184 HD21 ASN 20 1HD2 ASN 20 244.917 4.697 -5.625 185 HD22 ASN 20 2HD2 ASN 20 244.653 5.859 -6.874 186 H ALA 21 H ALA 21 244.223 1.482 -2.943 187 HA ALA 21 HA ALA 21 241.890 -0.208 -2.644 188 HB1 ALA 21 1HB ALA 21 244.530 -1.309 -3.602 189 HB2 ALA 21 2HB ALA 21 243.020 -1.266 -4.511 190 HB3 ALA 21 3HB ALA 21 243.156 -2.279 -3.075 191 H SER 22 H SER 22 242.366 -1.935 -0.955 192 HA SER 22 HA SER 22 244.484 -1.244 0.904 193 HB2 SER 22 1HB SER 22 242.827 -1.247 2.812 194 HB3 SER 22 2HB SER 22 242.713 0.149 1.740 195 HG SER 22 HG SER 22 240.873 -0.641 0.875 196 H CYS 23 H CYS 23 245.284 -3.003 1.926 197 HA CYS 23 HA CYS 23 244.310 -5.600 1.188 198 HB2 CYS 23 1HB CYS 23 246.702 -5.222 1.512 199 HB3 CYS 23 2HB CYS 23 246.421 -4.752 3.183 200 H LYS 24 H LYS 24 242.556 -6.431 2.075 201 HA LYS 24 HA LYS 24 241.304 -5.264 4.335 202 HB2 LYS 24 1HB LYS 24 240.699 -7.834 2.870 203 HB3 LYS 24 2HB LYS 24 239.635 -7.061 4.037 204 HG2 LYS 24 1HG LYS 24 239.316 -5.177 2.614 205 HG3 LYS 24 2HG LYS 24 240.569 -5.732 1.503 206 HD2 LYS 24 1HD LYS 24 238.375 -6.200 0.590 207 HD3 LYS 24 2HD LYS 24 239.202 -7.706 0.980 208 HE2 LYS 24 1HE LYS 24 237.934 -7.861 3.066 209 HE3 LYS 24 2HE LYS 24 237.112 -6.350 2.679 210 HZ1 LYS 24 1HZ LYS 24 236.208 -7.420 0.694 211 HZ2 LYS 24 2HZ LYS 24 235.742 -8.230 2.103 212 HZ3 LYS 24 3HZ LYS 24 236.959 -8.873 1.125 213 H LYS 25 H LYS 25 243.682 -7.661 4.045 214 HA LYS 25 HA LYS 25 242.947 -9.178 6.357 215 HB2 LYS 25 1HB LYS 25 244.259 -10.041 4.386 216 HB3 LYS 25 2HB LYS 25 245.631 -9.124 4.990 217 HG2 LYS 25 1HG LYS 25 245.858 -11.402 5.680 218 HG3 LYS 25 2HG LYS 25 245.506 -10.418 7.100 219 HD2 LYS 25 1HD LYS 25 243.200 -11.127 7.069 220 HD3 LYS 25 2HD LYS 25 243.454 -11.999 5.557 221 HE2 LYS 25 1HE LYS 25 243.441 -13.519 7.468 222 HE3 LYS 25 2HE LYS 25 245.011 -13.501 6.671 223 HZ1 LYS 25 1HZ LYS 25 245.168 -13.452 9.101 224 HZ2 LYS 25 2HZ LYS 25 244.350 -11.974 9.128 225 HZ3 LYS 25 3HZ LYS 25 245.868 -12.089 8.391 226 H CYS 26 H CYS 26 244.968 -6.356 5.786 227 HA CYS 26 HA CYS 26 245.585 -6.353 8.665 228 HB2 CYS 26 1HB CYS 26 247.831 -5.468 8.203 229 HB3 CYS 26 2HB CYS 26 247.601 -7.066 7.498 230 H LYS 27 H LYS 27 244.171 -4.731 6.164 231 HA LYS 27 HA LYS 27 243.360 -2.661 5.840 232 HB2 LYS 27 1HB LYS 27 243.970 -2.409 8.778 233 HB3 LYS 27 2HB LYS 27 243.189 -1.135 7.854 234 HG2 LYS 27 1HG LYS 27 242.130 -3.937 8.183 235 HG3 LYS 27 2HG LYS 27 241.586 -2.525 9.090 236 HD2 LYS 27 1HD LYS 27 240.897 -1.464 6.970 237 HD3 LYS 27 2HD LYS 27 241.389 -2.918 6.101 238 HE2 LYS 27 1HE LYS 27 239.754 -4.223 7.383 239 HE3 LYS 27 2HE LYS 27 239.254 -2.757 8.223 240 HZ1 LYS 27 1HZ LYS 27 239.052 -3.185 5.294 241 HZ2 LYS 27 2HZ LYS 27 238.499 -1.835 6.146 242 HZ3 LYS 27 3HZ LYS 27 237.772 -3.342 6.386 243 H LYS 28 H LYS 28 246.201 -3.215 5.397 244 HA LYS 28 HA LYS 28 247.305 -0.516 5.569 245 HB2 LYS 28 1HB LYS 28 248.432 -3.128 4.559 246 HB3 LYS 28 2HB LYS 28 249.232 -1.592 4.268 247 HG2 LYS 28 1HG LYS 28 249.463 -1.234 6.659 248 HG3 LYS 28 2HG LYS 28 248.607 -2.746 6.980 249 HD2 LYS 28 1HD LYS 28 250.357 -4.008 5.878 250 HD3 LYS 28 2HD LYS 28 251.189 -2.518 5.433 251 HE2 LYS 28 1HE LYS 28 251.559 -2.010 7.787 252 HE3 LYS 28 2HE LYS 28 250.687 -3.471 8.249 253 HZ1 LYS 28 1HZ LYS 28 253.207 -3.388 6.682 254 HZ2 LYS 28 2HZ LYS 28 252.370 -4.786 7.129 255 HZ3 LYS 28 3HZ LYS 28 253.072 -3.809 8.315 256 H VAL 29 H VAL 29 247.169 0.893 3.943 257 HA VAL 29 HA VAL 29 245.524 0.207 1.698 258 HB VAL 29 HB VAL 29 245.815 2.567 1.018 259 HG11 VAL 29 1HG1 VAL 29 245.075 2.137 3.905 260 HG12 VAL 29 2HG1 VAL 29 244.011 1.960 2.511 261 HG13 VAL 29 3HG1 VAL 29 244.644 3.548 2.941 262 HG21 VAL 29 1HG2 VAL 29 248.101 2.898 1.833 263 HG22 VAL 29 2HG2 VAL 29 247.520 2.791 3.495 264 HG23 VAL 29 3HG2 VAL 29 247.002 4.125 2.463 265 H ILE 30 H ILE 30 246.073 0.093 -0.441 266 HA ILE 30 HA ILE 30 248.910 0.220 -1.150 267 HB ILE 30 HB ILE 30 248.668 -1.965 -2.395 268 HG12 ILE 30 1HG1 ILE 30 246.280 -2.288 -0.562 269 HG13 ILE 30 2HG1 ILE 30 246.204 -2.089 -2.308 270 HG21 ILE 30 1HG2 ILE 30 249.985 -1.793 -0.365 271 HG22 ILE 30 2HG2 ILE 30 249.148 -3.344 -0.424 272 HG23 ILE 30 3HG2 ILE 30 248.544 -2.055 0.616 273 HD11 ILE 30 1HD1 ILE 30 245.908 -4.409 -1.663 274 HD12 ILE 30 2HD1 ILE 30 247.475 -4.393 -0.849 275 HD13 ILE 30 3HD1 ILE 30 247.386 -4.194 -2.597 276 H CYS 31 H CYS 31 249.210 0.032 -3.524 277 HA CYS 31 HA CYS 31 247.049 1.441 -4.894 278 HB2 CYS 31 1HB CYS 31 248.686 2.082 -6.533 279 HB3 CYS 31 2HB CYS 31 249.426 2.317 -4.957 280 H ARG 32 H ARG 32 246.216 0.688 -6.876 281 HA ARG 32 HA ARG 32 245.970 -2.141 -7.095 282 HB2 ARG 32 1HB ARG 32 245.131 0.052 -8.999 283 HB3 ARG 32 2HB ARG 32 244.671 -1.638 -9.148 284 HG2 ARG 32 1HG ARG 32 243.516 -1.504 -6.991 285 HG3 ARG 32 2HG ARG 32 243.952 0.203 -6.878 286 HD2 ARG 32 1HD ARG 32 242.210 -1.093 -8.970 287 HD3 ARG 32 2HD ARG 32 241.691 0.008 -7.695 288 HE ARG 32 HE ARG 32 243.545 1.441 -9.085 289 HH11 ARG 32 1HH1 ARG 32 240.621 -0.261 -9.965 290 HH12 ARG 32 2HH1 ARG 32 240.267 0.779 -11.305 291 HH21 ARG 32 1HH2 ARG 32 243.085 2.812 -10.850 292 HH22 ARG 32 2HH2 ARG 32 241.671 2.523 -11.812 293 H GLU 33 H GLU 33 248.352 -0.058 -8.015 294 HA GLU 33 HA GLU 33 249.236 -1.505 -10.356 295 HB2 GLU 33 1HB GLU 33 250.679 0.608 -8.742 296 HB3 GLU 33 2HB GLU 33 251.104 0.049 -10.355 297 HG2 GLU 33 1HG GLU 33 248.996 0.951 -11.215 298 HG3 GLU 33 2HG GLU 33 248.596 1.534 -9.600 299 H HIS 34 H HIS 34 249.417 -1.773 -7.004 300 HA HIS 34 HA HIS 34 251.731 -3.573 -7.177 301 HB2 HIS 34 1HB HIS 34 250.704 -1.806 -5.038 302 HB3 HIS 34 2HB HIS 34 251.242 -3.394 -4.499 303 HD2 HIS 34 HD2 HIS 34 253.809 -3.635 -6.534 304 HE1 HIS 34 HE1 HIS 34 255.130 -0.215 -4.432 305 HE2 HIS 34 HE2 HIS 34 255.854 -2.268 -5.731 306 H ASN 35 H ASN 35 248.414 -3.313 -5.951 307 HA ASN 35 HA ASN 35 247.753 -5.907 -6.847 308 HB2 ASN 35 1HB ASN 35 249.111 -6.443 -4.758 309 HB3 ASN 35 2HB ASN 35 247.818 -5.689 -3.838 310 HD21 ASN 35 1HD2 ASN 35 248.759 -8.429 -5.736 311 HD22 ASN 35 2HD2 ASN 35 247.378 -9.405 -5.372 312 H ILE 36 H ILE 36 245.504 -6.517 -6.048 313 HA ILE 36 HA ILE 36 243.931 -4.099 -6.290 314 HB ILE 36 HB ILE 36 243.461 -5.921 -7.819 315 HG12 ILE 36 1HG1 ILE 36 241.002 -6.137 -7.432 316 HG13 ILE 36 2HG1 ILE 36 241.229 -5.413 -5.843 317 HG21 ILE 36 1HG2 ILE 36 242.756 -7.518 -5.368 318 HG22 ILE 36 2HG2 ILE 36 244.092 -7.816 -6.480 319 HG23 ILE 36 3HG2 ILE 36 242.428 -8.012 -7.028 320 HD11 ILE 36 1HD1 ILE 36 242.019 -3.364 -6.864 321 HD12 ILE 36 2HD1 ILE 36 240.430 -3.801 -7.492 322 HD13 ILE 36 3HD1 ILE 36 241.871 -4.086 -8.465 323 H ASP 37 H ASP 37 244.435 -6.668 -3.886 324 HA ASP 37 HA ASP 37 243.367 -4.962 -1.849 325 HB2 ASP 37 1HB ASP 37 241.438 -6.208 -1.174 326 HB3 ASP 37 2HB ASP 37 241.275 -5.856 -2.889 327 H MET 38 H MET 38 245.594 -7.089 -2.597 328 HA MET 38 HA MET 38 245.670 -8.233 0.111 329 HB2 MET 38 1HB MET 38 246.270 -9.689 -2.474 330 HB3 MET 38 2HB MET 38 246.650 -10.317 -0.878 331 HG2 MET 38 1HG MET 38 244.324 -10.426 -0.302 332 HG3 MET 38 2HG MET 38 243.873 -9.617 -1.802 333 HE1 MET 38 1HE MET 38 246.659 -12.377 -1.410 334 HE2 MET 38 2HE MET 38 245.723 -13.848 -1.670 335 HE3 MET 38 3HE MET 38 245.442 -12.867 -0.232 336 H CYS 39 H CYS 39 247.510 -7.749 1.136 337 HA CYS 39 HA CYS 39 249.807 -6.900 -0.472 338 HB2 CYS 39 1HB CYS 39 250.538 -5.654 1.315 339 HB3 CYS 39 2HB CYS 39 248.814 -5.653 1.658 340 H GLN 40 H GLN 40 251.942 -7.748 0.068 341 HA GLN 40 HA GLN 40 251.793 -10.609 0.115 342 HB2 GLN 40 1HB GLN 40 254.124 -8.715 -0.124 343 HB3 GLN 40 2HB GLN 40 254.291 -10.464 -0.161 344 HG2 GLN 40 1HG GLN 40 252.808 -10.536 -2.124 345 HG3 GLN 40 2HG GLN 40 252.743 -8.774 -2.106 346 HE21 GLN 40 1HE2 GLN 40 254.740 -11.560 -2.691 347 HE22 GLN 40 2HE2 GLN 40 256.008 -10.726 -3.526 348 H SER 41 H SER 41 252.072 -8.315 2.540 349 HA SER 41 HA SER 41 253.697 -9.919 4.315 350 HB2 SER 41 1HB SER 41 253.678 -7.419 4.404 351 HB3 SER 41 2HB SER 41 252.006 -7.487 4.953 352 HG SER 41 HG SER 41 253.141 -9.042 6.601 353 H CYS 42 H CYS 42 250.693 -10.284 3.157 354 HA CYS 42 HA CYS 42 249.688 -11.486 5.647 355 HB2 CYS 42 1HB CYS 42 248.191 -10.098 3.434 356 HB3 CYS 42 2HB CYS 42 247.395 -11.150 4.596 357 H PHE 43 H PHE 43 247.940 -13.162 5.119 358 HA PHE 43 HA PHE 43 247.375 -15.193 4.317 359 HB2 PHE 43 1HB PHE 43 248.147 -13.900 1.695 360 HB3 PHE 43 2HB PHE 43 247.261 -15.414 1.843 361 HD1 PHE 43 HD1 PHE 43 244.958 -15.431 2.648 362 HD2 PHE 43 HD2 PHE 43 247.089 -11.788 2.123 363 HE1 PHE 43 HE1 PHE 43 242.843 -14.183 2.764 364 HE2 PHE 43 HE2 PHE 43 244.979 -10.533 2.238 365 HZ PHE 43 HZ PHE 43 242.852 -11.729 2.560 Start of MODEL 24 1 H1 VAL 1 1H VAL 1 250.883 12.716 12.684 2 H2 VAL 1 2H VAL 1 252.530 12.509 12.369 3 H3 VAL 1 3H VAL 1 251.627 11.234 13.017 4 HA VAL 1 HA VAL 1 251.250 12.432 10.338 5 HB VAL 1 HB VAL 1 252.282 9.678 11.049 6 HG11 VAL 1 1HG1 VAL 1 251.060 9.805 8.928 7 HG12 VAL 1 2HG1 VAL 1 252.776 9.491 8.672 8 HG13 VAL 1 3HG1 VAL 1 252.125 11.105 8.394 9 HG21 VAL 1 1HG2 VAL 1 253.821 12.055 10.005 10 HG22 VAL 1 2HG2 VAL 1 254.461 10.432 10.258 11 HG23 VAL 1 3HG2 VAL 1 253.929 11.394 11.635 12 H MET 2 H MET 2 249.122 12.460 10.019 13 HA MET 2 HA MET 2 247.557 10.102 10.841 14 HB2 MET 2 1HB MET 2 246.683 12.992 10.639 15 HB3 MET 2 2HB MET 2 245.591 11.647 10.931 16 HG2 MET 2 1HG MET 2 247.869 12.460 12.723 17 HG3 MET 2 2HG MET 2 246.173 12.855 12.980 18 HE1 MET 2 1HE MET 2 247.979 11.459 15.191 19 HE2 MET 2 2HE MET 2 246.869 10.228 15.791 20 HE3 MET 2 3HE MET 2 246.275 11.846 15.423 21 H LYS 3 H LYS 3 245.749 9.567 9.450 22 HA LYS 3 HA LYS 3 244.901 8.964 7.440 23 HB2 LYS 3 1HB LYS 3 245.744 11.781 6.857 24 HB3 LYS 3 2HB LYS 3 245.157 10.758 5.555 25 HG2 LYS 3 1HG LYS 3 243.345 12.083 6.373 26 HG3 LYS 3 2HG LYS 3 243.068 10.406 6.839 27 HD2 LYS 3 1HD LYS 3 243.918 10.900 9.086 28 HD3 LYS 3 2HD LYS 3 244.171 12.581 8.614 29 HE2 LYS 3 1HE LYS 3 242.091 12.331 9.855 30 HE3 LYS 3 2HE LYS 3 241.776 12.824 8.192 31 HZ1 LYS 3 1HZ LYS 3 241.553 10.055 9.240 32 HZ2 LYS 3 2HZ LYS 3 241.237 10.538 7.652 33 HZ3 LYS 3 3HZ LYS 3 240.257 11.090 8.910 34 H LYS 4 H LYS 4 247.076 7.688 7.920 35 HA LYS 4 HA LYS 4 249.063 8.008 5.854 36 HB2 LYS 4 1HB LYS 4 248.637 5.781 7.855 37 HB3 LYS 4 2HB LYS 4 250.033 5.938 6.799 38 HG2 LYS 4 1HG LYS 4 250.669 8.001 7.894 39 HG3 LYS 4 2HG LYS 4 249.226 7.931 8.907 40 HD2 LYS 4 1HD LYS 4 251.116 7.147 10.177 41 HD3 LYS 4 2HD LYS 4 250.043 5.787 9.844 42 HE2 LYS 4 1HE LYS 4 251.497 5.077 8.018 43 HE3 LYS 4 2HE LYS 4 252.557 6.455 8.312 44 HZ1 LYS 4 1HZ LYS 4 253.045 5.570 10.504 45 HZ2 LYS 4 2HZ LYS 4 253.420 4.432 9.315 46 HZ3 LYS 4 3HZ LYS 4 252.014 4.257 10.234 47 H ARG 5 H ARG 5 246.120 6.343 6.343 48 HA ARG 5 HA ARG 5 246.508 4.224 4.498 49 HB2 ARG 5 1HB ARG 5 244.169 3.764 4.765 50 HB3 ARG 5 2HB ARG 5 244.842 4.183 6.330 51 HG2 ARG 5 1HG ARG 5 243.923 6.452 6.089 52 HG3 ARG 5 2HG ARG 5 243.196 5.967 4.555 53 HD2 ARG 5 1HD ARG 5 241.575 5.844 6.378 54 HD3 ARG 5 2HD ARG 5 241.902 4.249 5.699 55 HE ARG 5 HE ARG 5 243.646 4.470 7.787 56 HH11 ARG 5 1HH1 ARG 5 240.174 4.703 7.438 57 HH12 ARG 5 2HH1 ARG 5 239.850 4.150 9.049 58 HH21 ARG 5 1HH2 ARG 5 243.229 3.735 9.898 59 HH22 ARG 5 2HH2 ARG 5 241.589 3.610 10.453 60 H THR 6 H THR 6 246.214 7.473 3.936 61 HA THR 6 HA THR 6 244.655 7.376 1.535 62 HB THR 6 HB THR 6 246.604 9.504 2.449 63 HG1 THR 6 HG1 THR 6 243.846 9.058 2.988 64 HG21 THR 6 1HG2 THR 6 245.304 10.995 1.005 65 HG22 THR 6 2HG2 THR 6 244.297 9.638 0.502 66 HG23 THR 6 3HG2 THR 6 246.008 9.671 0.076 67 H TYR 7 H TYR 7 247.955 6.832 2.401 68 HA TYR 7 HA TYR 7 248.719 6.824 -0.437 69 HB2 TYR 7 1HB TYR 7 250.422 7.325 2.007 70 HB3 TYR 7 2HB TYR 7 251.055 7.160 0.372 71 HD1 TYR 7 HD1 TYR 7 249.650 9.398 2.781 72 HD2 TYR 7 HD2 TYR 7 250.236 8.810 -1.391 73 HE1 TYR 7 HE1 TYR 7 249.283 11.797 2.399 74 HE2 TYR 7 HE2 TYR 7 249.878 11.205 -1.785 75 HH TYR 7 HH TYR 7 248.852 13.118 -0.742 76 H CYS 8 H CYS 8 249.662 5.099 -1.292 77 HA CYS 8 HA CYS 8 249.109 2.572 -0.252 78 HB2 CYS 8 1HB CYS 8 249.298 2.871 -2.598 79 HB3 CYS 8 2HB CYS 8 250.925 3.515 -2.460 80 H THR 9 H THR 9 250.095 1.286 1.102 81 HA THR 9 HA THR 9 252.363 2.097 2.584 82 HB THR 9 HB THR 9 251.031 -0.615 2.434 83 HG1 THR 9 HG1 THR 9 250.317 1.789 3.584 84 HG21 THR 9 1HG2 THR 9 251.939 -0.941 4.698 85 HG22 THR 9 2HG2 THR 9 252.801 0.593 4.561 86 HG23 THR 9 3HG2 THR 9 253.215 -0.750 3.497 87 H TYR 10 H TYR 10 251.932 0.053 -0.212 88 HA TYR 10 HA TYR 10 254.587 -1.078 -0.031 89 HB2 TYR 10 1HB TYR 10 252.273 -1.412 -1.893 90 HB3 TYR 10 2HB TYR 10 253.874 -1.937 -2.404 91 HD1 TYR 10 HD1 TYR 10 251.880 -2.151 0.754 92 HD2 TYR 10 HD2 TYR 10 254.205 -4.185 -2.163 93 HE1 TYR 10 HE1 TYR 10 251.620 -4.238 2.018 94 HE2 TYR 10 HE2 TYR 10 253.950 -6.284 -0.911 95 HH TYR 10 HH TYR 10 253.509 -6.954 1.465 96 H CYS 11 H CYS 11 253.318 1.790 -1.082 97 HA CYS 11 HA CYS 11 255.448 2.219 -3.043 98 HB2 CYS 11 1HB CYS 11 252.881 3.614 -2.419 99 HB3 CYS 11 2HB CYS 11 254.186 4.529 -3.160 100 HA PRO 12 HA PRO 12 257.976 4.252 0.028 101 HB2 PRO 12 1HB PRO 12 258.907 5.790 -2.335 102 HB3 PRO 12 2HB PRO 12 259.844 4.877 -1.153 103 HG2 PRO 12 1HG PRO 12 259.441 3.952 -3.636 104 HG3 PRO 12 2HG PRO 12 259.512 2.868 -2.234 105 HD2 PRO 12 1HD PRO 12 257.156 3.790 -3.804 106 HD3 PRO 12 2HD PRO 12 257.442 2.237 -2.997 107 H SER 13 H SER 13 257.871 6.173 1.121 108 HA SER 13 HA SER 13 255.430 7.524 0.926 109 HB2 SER 13 1HB SER 13 256.674 7.219 3.032 110 HB3 SER 13 2HB SER 13 257.907 8.340 2.461 111 HG SER 13 HG SER 13 255.177 9.059 2.666 112 H LYS 14 H LYS 14 258.487 8.225 -0.542 113 HA LYS 14 HA LYS 14 257.870 10.996 -1.032 114 HB2 LYS 14 1HB LYS 14 260.078 9.251 -2.116 115 HB3 LYS 14 2HB LYS 14 259.956 10.990 -2.348 116 HG2 LYS 14 1HG LYS 14 260.161 11.355 0.034 117 HG3 LYS 14 2HG LYS 14 260.200 9.615 0.316 118 HD2 LYS 14 1HD LYS 14 262.247 9.499 -1.091 119 HD3 LYS 14 2HD LYS 14 262.232 11.261 -1.179 120 HE2 LYS 14 1HE LYS 14 262.500 9.571 1.303 121 HE3 LYS 14 2HE LYS 14 263.758 10.549 0.549 122 HZ1 LYS 14 1HZ LYS 14 262.417 12.525 1.027 123 HZ2 LYS 14 2HZ LYS 14 262.833 11.691 2.437 124 HZ3 LYS 14 3HZ LYS 14 261.270 11.562 1.812 125 H ILE 15 H ILE 15 256.928 8.104 -2.451 126 HA ILE 15 HA ILE 15 256.760 9.100 -5.157 127 HB ILE 15 HB ILE 15 255.478 6.647 -3.940 128 HG12 ILE 15 1HG1 ILE 15 257.898 6.521 -3.791 129 HG13 ILE 15 2HG1 ILE 15 257.326 5.415 -5.033 130 HG21 ILE 15 1HG2 ILE 15 255.919 7.338 -6.839 131 HG22 ILE 15 2HG2 ILE 15 254.372 7.401 -5.997 132 HG23 ILE 15 3HG2 ILE 15 255.196 5.856 -6.212 133 HD11 ILE 15 1HD1 ILE 15 259.323 6.533 -5.772 134 HD12 ILE 15 2HD1 ILE 15 258.591 8.108 -5.473 135 HD13 ILE 15 3HD1 ILE 15 257.952 7.067 -6.744 136 H ARG 16 H ARG 16 254.812 8.988 -2.323 137 HA ARG 16 HA ARG 16 252.776 9.783 -1.745 138 HB2 ARG 16 1HB ARG 16 253.395 11.656 -4.029 139 HB3 ARG 16 2HB ARG 16 252.039 11.871 -2.928 140 HG2 ARG 16 1HG ARG 16 253.608 11.994 -1.043 141 HG3 ARG 16 2HG ARG 16 254.954 11.826 -2.171 142 HD2 ARG 16 1HD ARG 16 254.284 13.904 -3.276 143 HD3 ARG 16 2HD ARG 16 252.935 14.068 -2.151 144 HE ARG 16 HE ARG 16 255.345 13.821 -0.713 145 HH11 ARG 16 1HH1 ARG 16 253.626 16.113 -2.719 146 HH12 ARG 16 2HH1 ARG 16 254.356 17.500 -1.980 147 HH21 ARG 16 1HH2 ARG 16 256.299 15.645 0.275 148 HH22 ARG 16 2HH2 ARG 16 255.876 17.234 -0.274 149 H ARG 17 H ARG 17 252.840 7.573 -3.547 150 HA ARG 17 HA ARG 17 250.705 7.888 -5.444 151 HB2 ARG 17 1HB ARG 17 252.468 6.319 -5.957 152 HB3 ARG 17 2HB ARG 17 252.230 5.479 -4.435 153 HG2 ARG 17 1HG ARG 17 251.333 4.174 -6.245 154 HG3 ARG 17 2HG ARG 17 250.024 4.730 -5.203 155 HD2 ARG 17 1HD ARG 17 249.391 6.408 -6.781 156 HD3 ARG 17 2HD ARG 17 250.822 6.106 -7.763 157 HE ARG 17 HE ARG 17 249.785 3.789 -8.060 158 HH11 ARG 17 1HH1 ARG 17 247.906 6.705 -7.638 159 HH12 ARG 17 2HH1 ARG 17 246.555 6.119 -8.551 160 HH21 ARG 17 1HH2 ARG 17 248.036 3.014 -9.274 161 HH22 ARG 17 2HH2 ARG 17 246.628 4.023 -9.501 162 H LYS 18 H LYS 18 248.638 7.861 -4.939 163 HA LYS 18 HA LYS 18 247.798 7.320 -2.265 164 HB2 LYS 18 1HB LYS 18 246.224 7.974 -4.761 165 HB3 LYS 18 2HB LYS 18 245.500 7.780 -3.174 166 HG2 LYS 18 1HG LYS 18 245.729 10.094 -3.474 167 HG3 LYS 18 2HG LYS 18 247.053 9.638 -2.400 168 HD2 LYS 18 1HD LYS 18 248.602 9.645 -4.265 169 HD3 LYS 18 2HD LYS 18 247.287 10.009 -5.382 170 HE2 LYS 18 1HE LYS 18 246.923 12.142 -4.241 171 HE3 LYS 18 2HE LYS 18 248.246 11.775 -3.136 172 HZ1 LYS 18 1HZ LYS 18 249.744 11.702 -5.056 173 HZ2 LYS 18 2HZ LYS 18 249.005 13.215 -4.894 174 HZ3 LYS 18 3HZ LYS 18 248.464 12.134 -6.076 175 H ALA 19 H ALA 19 246.325 5.740 -1.577 176 HA ALA 19 HA ALA 19 246.696 3.209 -2.965 177 HB1 ALA 19 1HB ALA 19 247.138 3.399 -0.544 178 HB2 ALA 19 2HB ALA 19 245.932 2.176 -0.938 179 HB3 ALA 19 3HB ALA 19 245.425 3.736 -0.288 180 H ASN 20 H ASN 20 245.084 1.969 -3.802 181 HA ASN 20 HA ASN 20 242.485 3.291 -4.123 182 HB2 ASN 20 1HB ASN 20 243.768 1.088 -5.759 183 HB3 ASN 20 2HB ASN 20 242.151 1.720 -6.032 184 HD21 ASN 20 1HD2 ASN 20 242.499 2.487 -8.049 185 HD22 ASN 20 2HD2 ASN 20 243.566 3.802 -8.410 186 H ALA 21 H ALA 21 244.046 0.536 -2.778 187 HA ALA 21 HA ALA 21 241.447 -0.534 -1.946 188 HB1 ALA 21 1HB ALA 21 242.158 -2.809 -2.405 189 HB2 ALA 21 2HB ALA 21 243.702 -2.222 -3.020 190 HB3 ALA 21 3HB ALA 21 242.213 -1.845 -3.881 191 H SER 22 H SER 22 241.656 -2.055 -0.120 192 HA SER 22 HA SER 22 244.024 -1.487 1.520 193 HB2 SER 22 1HB SER 22 241.179 -1.646 2.541 194 HB3 SER 22 2HB SER 22 242.619 -1.248 3.480 195 HG SER 22 HG SER 22 241.733 0.273 1.251 196 H CYS 23 H CYS 23 244.931 -3.206 2.466 197 HA CYS 23 HA CYS 23 244.052 -5.837 1.801 198 HB2 CYS 23 1HB CYS 23 246.431 -5.217 2.045 199 HB3 CYS 23 2HB CYS 23 246.167 -4.905 3.755 200 H LYS 24 H LYS 24 242.341 -6.725 2.745 201 HA LYS 24 HA LYS 24 241.073 -5.802 5.050 202 HB2 LYS 24 1HB LYS 24 239.888 -7.046 3.364 203 HB3 LYS 24 2HB LYS 24 240.911 -8.450 3.609 204 HG2 LYS 24 1HG LYS 24 238.794 -8.869 4.610 205 HG3 LYS 24 2HG LYS 24 239.984 -8.664 5.894 206 HD2 LYS 24 1HD LYS 24 239.218 -6.398 6.284 207 HD3 LYS 24 2HD LYS 24 238.087 -6.524 4.934 208 HE2 LYS 24 1HE LYS 24 236.914 -8.334 6.094 209 HE3 LYS 24 2HE LYS 24 238.042 -8.204 7.439 210 HZ1 LYS 24 1HZ LYS 24 235.944 -7.055 7.857 211 HZ2 LYS 24 2HZ LYS 24 236.221 -6.046 6.534 212 HZ3 LYS 24 3HZ LYS 24 237.251 -5.986 7.871 213 H LYS 25 H LYS 25 243.705 -8.020 4.706 214 HA LYS 25 HA LYS 25 243.254 -9.401 7.168 215 HB2 LYS 25 1HB LYS 25 245.704 -9.307 5.412 216 HB3 LYS 25 2HB LYS 25 245.477 -10.400 6.768 217 HG2 LYS 25 1HG LYS 25 243.803 -10.322 4.264 218 HG3 LYS 25 2HG LYS 25 245.049 -11.508 4.643 219 HD2 LYS 25 1HD LYS 25 242.522 -11.059 6.234 220 HD3 LYS 25 2HD LYS 25 242.777 -12.358 5.071 221 HE2 LYS 25 1HE LYS 25 244.372 -11.920 7.596 222 HE3 LYS 25 2HE LYS 25 243.097 -13.117 7.382 223 HZ1 LYS 25 1HZ LYS 25 244.437 -14.137 5.625 224 HZ2 LYS 25 2HZ LYS 25 245.247 -14.131 7.105 225 HZ3 LYS 25 3HZ LYS 25 245.674 -13.021 5.911 226 H CYS 26 H CYS 26 245.230 -6.606 6.254 227 HA CYS 26 HA CYS 26 246.065 -6.455 9.076 228 HB2 CYS 26 1HB CYS 26 248.262 -5.647 8.401 229 HB3 CYS 26 2HB CYS 26 247.943 -7.227 7.693 230 H LYS 27 H LYS 27 244.383 -4.944 6.682 231 HA LYS 27 HA LYS 27 243.415 -2.923 6.474 232 HB2 LYS 27 1HB LYS 27 244.554 -2.522 9.232 233 HB3 LYS 27 2HB LYS 27 243.571 -1.310 8.423 234 HG2 LYS 27 1HG LYS 27 242.655 -4.127 8.964 235 HG3 LYS 27 2HG LYS 27 242.327 -2.757 10.025 236 HD2 LYS 27 1HD LYS 27 241.188 -1.623 8.141 237 HD3 LYS 27 2HD LYS 27 241.451 -3.061 7.153 238 HE2 LYS 27 1HE LYS 27 240.113 -4.387 8.684 239 HE3 LYS 27 2HE LYS 27 239.900 -2.990 9.738 240 HZ1 LYS 27 1HZ LYS 27 237.964 -3.320 8.356 241 HZ2 LYS 27 2HZ LYS 27 238.900 -3.240 6.953 242 HZ3 LYS 27 3HZ LYS 27 238.726 -1.873 7.929 243 H LYS 28 H LYS 28 246.478 -3.417 5.981 244 HA LYS 28 HA LYS 28 247.357 -0.662 5.738 245 HB2 LYS 28 1HB LYS 28 248.643 -3.239 4.810 246 HB3 LYS 28 2HB LYS 28 249.366 -1.647 4.637 247 HG2 LYS 28 1HG LYS 28 248.663 -2.959 7.255 248 HG3 LYS 28 2HG LYS 28 250.275 -2.891 6.542 249 HD2 LYS 28 1HD LYS 28 250.189 -0.431 6.637 250 HD3 LYS 28 2HD LYS 28 248.601 -0.528 7.397 251 HE2 LYS 28 1HE LYS 28 250.343 -0.171 9.061 252 HE3 LYS 28 2HE LYS 28 249.567 -1.739 9.282 253 HZ1 LYS 28 1HZ LYS 28 252.192 -1.255 7.982 254 HZ2 LYS 28 2HZ LYS 28 251.443 -2.762 8.117 255 HZ3 LYS 28 3HZ LYS 28 251.942 -1.942 9.505 256 H VAL 29 H VAL 29 247.642 0.425 3.780 257 HA VAL 29 HA VAL 29 245.663 -0.452 1.816 258 HB VAL 29 HB VAL 29 245.696 1.915 1.054 259 HG11 VAL 29 1HG1 VAL 29 244.035 1.094 2.649 260 HG12 VAL 29 2HG1 VAL 29 244.452 2.779 2.955 261 HG13 VAL 29 3HG1 VAL 29 245.113 1.507 3.981 262 HG21 VAL 29 1HG2 VAL 29 247.973 2.457 1.819 263 HG22 VAL 29 2HG2 VAL 29 247.418 2.356 3.490 264 HG23 VAL 29 3HG2 VAL 29 246.774 3.602 2.419 265 H ILE 30 H ILE 30 246.018 -0.297 -0.407 266 HA ILE 30 HA ILE 30 248.803 -0.112 -1.290 267 HB ILE 30 HB ILE 30 248.402 -2.232 -2.659 268 HG12 ILE 30 1HG1 ILE 30 246.115 -2.390 -0.695 269 HG13 ILE 30 2HG1 ILE 30 246.062 -2.570 -2.443 270 HG21 ILE 30 1HG2 ILE 30 249.948 -2.126 -0.778 271 HG22 ILE 30 2HG2 ILE 30 249.120 -3.683 -0.822 272 HG23 ILE 30 3HG2 ILE 30 248.624 -2.453 0.342 273 HD11 ILE 30 1HD1 ILE 30 247.135 -4.512 -0.422 274 HD12 ILE 30 2HD1 ILE 30 247.396 -4.679 -2.154 275 HD13 ILE 30 3HD1 ILE 30 245.756 -4.717 -1.503 276 H CYS 31 H CYS 31 249.058 0.338 -3.500 277 HA CYS 31 HA CYS 31 246.832 1.816 -4.612 278 HB2 CYS 31 1HB CYS 31 248.422 2.704 -6.199 279 HB3 CYS 31 2HB CYS 31 249.149 2.746 -4.598 280 H ARG 32 H ARG 32 246.723 1.668 -7.174 281 HA ARG 32 HA ARG 32 245.416 -0.730 -7.687 282 HB2 ARG 32 1HB ARG 32 244.956 1.354 -8.885 283 HB3 ARG 32 2HB ARG 32 246.519 1.246 -9.684 284 HG2 ARG 32 1HG ARG 32 245.857 -0.716 -10.867 285 HG3 ARG 32 2HG ARG 32 244.362 -0.829 -9.939 286 HD2 ARG 32 1HD ARG 32 243.994 0.099 -12.183 287 HD3 ARG 32 2HD ARG 32 243.562 1.236 -10.909 288 HE ARG 32 HE ARG 32 246.247 1.577 -11.873 289 HH11 ARG 32 1HH1 ARG 32 242.892 2.374 -12.428 290 HH12 ARG 32 2HH1 ARG 32 243.248 3.828 -13.304 291 HH21 ARG 32 1HH2 ARG 32 246.729 3.490 -13.012 292 HH22 ARG 32 2HH2 ARG 32 245.435 4.467 -13.629 293 H GLU 33 H GLU 33 248.691 0.274 -8.650 294 HA GLU 33 HA GLU 33 249.117 -2.260 -9.973 295 HB2 GLU 33 1HB GLU 33 251.440 -1.388 -10.331 296 HB3 GLU 33 2HB GLU 33 250.159 -0.405 -11.019 297 HG2 GLU 33 1HG GLU 33 251.142 0.279 -8.308 298 HG3 GLU 33 2HG GLU 33 252.172 0.647 -9.689 299 H HIS 34 H HIS 34 248.893 -1.630 -6.849 300 HA HIS 34 HA HIS 34 250.876 -3.711 -6.196 301 HB2 HIS 34 1HB HIS 34 250.327 -1.150 -4.732 302 HB3 HIS 34 2HB HIS 34 250.892 -2.561 -3.852 303 HD2 HIS 34 HD2 HIS 34 253.019 -3.268 -6.503 304 HE1 HIS 34 HE1 HIS 34 254.878 0.158 -4.845 305 HE2 HIS 34 HE2 HIS 34 255.121 -1.742 -6.514 306 H ASN 35 H ASN 35 247.721 -3.334 -6.575 307 HA ASN 35 HA ASN 35 247.009 -4.411 -3.949 308 HB2 ASN 35 1HB ASN 35 244.856 -3.564 -4.119 309 HB3 ASN 35 2HB ASN 35 245.837 -2.310 -4.857 310 HD21 ASN 35 1HD2 ASN 35 243.399 -4.725 -5.383 311 HD22 ASN 35 2HD2 ASN 35 243.009 -4.268 -7.001 312 H ILE 36 H ILE 36 246.603 -6.413 -3.700 313 HA ILE 36 HA ILE 36 245.418 -7.989 -5.895 314 HB ILE 36 HB ILE 36 246.455 -9.128 -3.298 315 HG12 ILE 36 1HG1 ILE 36 248.125 -8.734 -5.789 316 HG13 ILE 36 2HG1 ILE 36 248.264 -7.750 -4.336 317 HG21 ILE 36 1HG2 ILE 36 246.793 -11.145 -4.654 318 HG22 ILE 36 2HG2 ILE 36 246.183 -10.286 -6.071 319 HG23 ILE 36 3HG2 ILE 36 245.118 -10.594 -4.698 320 HD11 ILE 36 1HD1 ILE 36 249.997 -9.445 -4.420 321 HD12 ILE 36 2HD1 ILE 36 248.773 -10.712 -4.516 322 HD13 ILE 36 3HD1 ILE 36 248.911 -9.726 -3.060 323 H ASP 37 H ASP 37 244.276 -5.961 -3.940 324 HA ASP 37 HA ASP 37 242.737 -5.607 -2.309 325 HB2 ASP 37 1HB ASP 37 241.639 -8.224 -3.359 326 HB3 ASP 37 2HB ASP 37 240.820 -7.240 -2.150 327 H MET 38 H MET 38 245.171 -7.149 -1.980 328 HA MET 38 HA MET 38 245.066 -7.680 0.784 329 HB2 MET 38 1HB MET 38 244.058 -9.813 0.005 330 HB3 MET 38 2HB MET 38 245.435 -10.068 -1.057 331 HG2 MET 38 1HG MET 38 246.914 -10.219 0.869 332 HG3 MET 38 2HG MET 38 245.554 -9.925 1.950 333 HE1 MET 38 1HE MET 38 243.406 -13.153 1.467 334 HE2 MET 38 2HE MET 38 243.234 -11.657 0.552 335 HE3 MET 38 3HE MET 38 243.547 -11.598 2.286 336 H CYS 39 H CYS 39 247.154 -7.450 1.540 337 HA CYS 39 HA CYS 39 249.082 -6.694 -0.479 338 HB2 CYS 39 1HB CYS 39 250.245 -5.586 1.189 339 HB3 CYS 39 2HB CYS 39 248.603 -5.510 1.815 340 H GLN 40 H GLN 40 251.231 -7.509 -0.505 341 HA GLN 40 HA GLN 40 251.225 -10.253 -0.960 342 HB2 GLN 40 1HB GLN 40 252.675 -8.611 -2.099 343 HB3 GLN 40 2HB GLN 40 253.602 -8.420 -0.619 344 HG2 GLN 40 1HG GLN 40 254.250 -10.777 -0.734 345 HG3 GLN 40 2HG GLN 40 253.347 -10.939 -2.239 346 HE21 GLN 40 1HE2 GLN 40 256.171 -9.609 -0.718 347 HE22 GLN 40 2HE2 GLN 40 257.007 -9.193 -2.175 348 H SER 41 H SER 41 251.898 -8.528 1.951 349 HA SER 41 HA SER 41 253.490 -10.609 3.144 350 HB2 SER 41 1HB SER 41 253.763 -8.223 3.759 351 HB3 SER 41 2HB SER 41 252.142 -8.232 4.446 352 HG SER 41 HG SER 41 254.173 -10.021 5.293 353 H CYS 42 H CYS 42 250.136 -10.031 2.734 354 HA CYS 42 HA CYS 42 249.510 -11.985 4.851 355 HB2 CYS 42 1HB CYS 42 247.639 -10.060 3.461 356 HB3 CYS 42 2HB CYS 42 247.203 -11.170 4.752 357 H PHE 43 H PHE 43 249.829 -11.627 1.531 358 HA PHE 43 HA PHE 43 247.718 -13.428 0.755 359 HB2 PHE 43 1HB PHE 43 248.502 -11.519 -0.674 360 HB3 PHE 43 2HB PHE 43 250.017 -12.382 -0.911 361 HD1 PHE 43 HD1 PHE 43 246.367 -12.578 -1.480 362 HD2 PHE 43 HD2 PHE 43 250.214 -14.039 -2.556 363 HE1 PHE 43 HE1 PHE 43 245.375 -13.771 -3.390 364 HE2 PHE 43 HE2 PHE 43 249.232 -15.236 -4.468 365 HZ PHE 43 HZ PHE 43 246.808 -15.102 -4.887
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