NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
6896 | 1joo | 494 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H ALA 1 HT1 ALA 1 143.071 6.279 10.248 2 2H ALA 1 HT2 ALA 1 144.578 5.534 10.003 3 3H ALA 1 HT3 ALA 1 143.292 4.654 10.677 4 HA ALA 1 HA ALA 1 143.694 4.112 8.318 5 1HB ALA 1 HB1 ALA 1 141.521 3.549 8.787 6 2HB ALA 1 HB2 ALA 1 141.182 4.900 7.705 7 3HB ALA 1 HB3 ALA 1 141.145 5.139 9.452 8 H THR 2 HN THR 2 144.864 5.168 6.771 9 HA THR 2 HA THR 2 145.510 6.841 5.255 10 HB THR 2 HB THR 2 142.796 7.997 5.091 11 HG1 THR 2 HG1 THR 2 143.007 5.419 4.094 12 1HG2 THR 2 HG21 THR 2 145.022 7.142 3.359 13 2HG2 THR 2 HG22 THR 2 143.891 8.481 3.161 14 3HG2 THR 2 HG23 THR 2 143.419 6.849 2.684 15 H SER 3 HN SER 3 145.177 9.377 4.855 16 HA SER 3 HA SER 3 145.548 10.621 7.521 17 1HB SER 3 HB2 SER 3 146.781 12.274 6.443 18 2HB SER 3 HB1 SER 3 147.077 10.900 5.381 19 HG SER 3 HG SER 3 146.407 12.827 4.273 20 H THR 4 HN THR 4 143.755 11.319 4.498 21 HA THR 4 HA THR 4 141.683 12.642 6.200 22 HB THR 4 HB THR 4 142.088 13.626 3.417 23 HG1 THR 4 HG1 THR 4 143.914 13.904 5.527 24 1HG2 THR 4 HG21 THR 4 141.499 15.758 4.492 25 2HG2 THR 4 HG22 THR 4 141.556 14.984 6.076 26 3HG2 THR 4 HG23 THR 4 140.323 14.511 4.906 27 H LYS 5 HN LYS 5 141.834 9.902 5.109 28 HA LYS 5 HA LYS 5 140.248 8.411 4.214 29 1HB LYS 5 HB2 LYS 5 138.762 10.743 4.762 30 2HB LYS 5 HB1 LYS 5 138.349 10.294 3.107 31 1HG LYS 5 HG2 LYS 5 137.422 8.275 3.736 32 2HG LYS 5 HG1 LYS 5 138.464 8.118 5.150 33 1HD LYS 5 HD2 LYS 5 136.454 10.343 5.064 34 2HD LYS 5 HD1 LYS 5 135.912 8.711 5.457 35 1HE LYS 5 HE2 LYS 5 138.354 9.659 6.859 36 2HE LYS 5 HE1 LYS 5 136.837 10.426 7.326 37 1HZ LYS 5 HZ1 LYS 5 137.350 7.502 7.257 38 2HZ LYS 5 HZ2 LYS 5 135.884 8.239 7.700 39 3HZ LYS 5 HZ3 LYS 5 137.272 8.460 8.654 40 H LYS 6 HN LYS 6 139.693 7.621 2.082 41 HA LYS 6 HA LYS 6 141.017 9.175 -0.106 42 1HB LYS 6 HB2 LYS 6 141.030 6.296 0.631 43 2HB LYS 6 HB1 LYS 6 140.942 6.659 -1.093 44 1HG LYS 6 HG2 LYS 6 142.939 8.066 -0.930 45 2HG LYS 6 HG1 LYS 6 143.012 7.793 0.812 46 1HD LYS 6 HD2 LYS 6 144.466 6.137 0.159 47 2HD LYS 6 HD1 LYS 6 142.960 5.232 -0.003 48 1HE LYS 6 HE2 LYS 6 143.400 4.948 -2.190 49 2HE LYS 6 HE1 LYS 6 143.297 6.695 -2.411 50 1HZ LYS 6 HZ1 LYS 6 145.666 5.012 -1.984 51 2HZ LYS 6 HZ2 LYS 6 145.697 6.629 -1.462 52 3HZ LYS 6 HZ3 LYS 6 145.425 6.267 -3.099 53 H LEU 7 HN LEU 7 138.036 8.369 1.056 54 HA LEU 7 HA LEU 7 136.877 8.259 -1.701 55 1HB LEU 7 HB2 LEU 7 136.233 6.773 0.785 56 2HB LEU 7 HB1 LEU 7 134.851 7.346 -0.149 57 HG LEU 7 HG LEU 7 137.152 5.856 -1.423 58 1HD1 LEU 7 HD11 LEU 7 135.698 4.676 0.484 59 2HD1 LEU 7 HD12 LEU 7 136.164 3.816 -0.983 60 3HD1 LEU 7 HD13 LEU 7 134.548 4.511 -0.843 61 1HD2 LEU 7 HD21 LEU 7 135.241 7.326 -2.602 62 2HD2 LEU 7 HD22 LEU 7 134.333 5.827 -2.407 63 3HD2 LEU 7 HD23 LEU 7 135.841 5.832 -3.322 64 H HIS 8 HN HIS 8 135.306 9.781 -2.183 65 HA HIS 8 HA HIS 8 134.562 11.665 0.020 66 1HB HIS 8 HB2 HIS 8 135.619 12.132 -2.701 67 2HB HIS 8 HB1 HIS 8 134.246 13.142 -2.255 68 HD1 HIS 8 HD1 HIS 8 137.840 12.940 -1.899 69 HD2 HIS 8 HD2 HIS 8 134.728 14.458 0.424 70 HE1 HIS 8 HE1 HIS 8 138.898 14.523 -0.228 71 H LYS 9 HN LYS 9 132.592 13.087 -1.198 72 HA LYS 9 HA LYS 9 130.665 11.085 -2.275 73 1HB LYS 9 HB2 LYS 9 129.884 13.088 -0.149 74 2HB LYS 9 HB1 LYS 9 128.963 11.698 -0.724 75 1HG LYS 9 HG2 LYS 9 131.071 10.341 0.101 76 2HG LYS 9 HG1 LYS 9 131.341 11.767 1.104 77 1HD LYS 9 HD2 LYS 9 129.474 11.391 2.386 78 2HD LYS 9 HD1 LYS 9 128.571 10.680 1.048 79 1HE LYS 9 HE2 LYS 9 129.351 8.574 1.464 80 2HE LYS 9 HE1 LYS 9 130.948 9.151 1.940 81 1HZ LYS 9 HZ1 LYS 9 129.561 8.183 3.767 82 2HZ LYS 9 HZ2 LYS 9 128.531 9.526 3.614 83 3HZ LYS 9 HZ3 LYS 9 130.154 9.744 4.065 84 H GLU 10 HN GLU 10 129.462 11.906 -3.942 85 HA GLU 10 HA GLU 10 129.892 14.760 -4.638 86 1HB GLU 10 HB2 GLU 10 128.824 12.391 -6.192 87 2HB GLU 10 HB1 GLU 10 128.797 14.039 -6.820 88 1HG GLU 10 HG2 GLU 10 131.327 12.733 -5.802 89 2HG GLU 10 HG1 GLU 10 130.821 12.633 -7.488 90 HA PRO 11 HA PRO 11 125.783 15.893 -3.505 91 1HB PRO 11 HB2 PRO 11 125.510 18.089 -5.107 92 2HB PRO 11 HB1 PRO 11 126.554 18.064 -3.675 93 1HG PRO 11 HG2 PRO 11 127.304 17.914 -6.560 94 2HG PRO 11 HG1 PRO 11 128.191 18.625 -5.202 95 1HD PRO 11 HD2 PRO 11 128.733 16.128 -6.350 96 2HD PRO 11 HD1 PRO 11 129.280 16.660 -4.745 97 H ALA 12 HN ALA 12 123.732 15.304 -4.196 98 HA ALA 12 HA ALA 12 123.180 15.154 -7.107 99 1HB ALA 12 HB1 ALA 12 124.013 12.892 -5.990 100 2HB ALA 12 HB2 ALA 12 122.687 12.888 -7.152 101 3HB ALA 12 HB3 ALA 12 122.344 12.822 -5.423 102 H THR 13 HN THR 13 120.807 14.865 -7.507 103 HA THR 13 HA THR 13 119.212 15.925 -5.205 104 HB THR 13 HB THR 13 118.337 16.375 -8.030 105 HG1 THR 13 HG1 THR 13 120.167 17.328 -8.405 106 1HG2 THR 13 HG21 THR 13 117.628 17.243 -5.407 107 2HG2 THR 13 HG22 THR 13 116.873 17.682 -6.939 108 3HG2 THR 13 HG23 THR 13 118.204 18.648 -6.303 109 H LEU 14 HN LEU 14 116.796 15.393 -5.496 110 HA LEU 14 HA LEU 14 116.596 12.511 -6.117 111 1HB LEU 14 HB2 LEU 14 115.641 13.254 -4.004 112 2HB LEU 14 HB1 LEU 14 114.645 14.448 -4.838 113 HG LEU 14 HG LEU 14 113.590 12.538 -6.117 114 1HD1 LEU 14 HD11 LEU 14 114.001 10.413 -4.369 115 2HD1 LEU 14 HD12 LEU 14 115.613 11.099 -4.573 116 3HD1 LEU 14 HD13 LEU 14 114.695 10.570 -5.982 117 1HD2 LEU 14 HD21 LEU 14 113.346 12.469 -3.091 118 2HD2 LEU 14 HD22 LEU 14 112.149 11.853 -4.231 119 3HD2 LEU 14 HD23 LEU 14 112.492 13.582 -4.160 120 H ILE 15 HN ILE 15 115.343 11.681 -7.779 121 HA ILE 15 HA ILE 15 114.075 13.692 -9.599 122 HB ILE 15 HB ILE 15 115.382 11.027 -10.228 123 1HG1 ILE 15 HG12 ILE 15 116.041 13.909 -10.901 124 2HG1 ILE 15 HG11 ILE 15 117.004 12.795 -9.930 125 1HG2 ILE 15 HG21 ILE 15 113.235 11.652 -11.532 126 2HG2 ILE 15 HG22 ILE 15 114.675 11.266 -12.473 127 3HG2 ILE 15 HG23 ILE 15 114.202 12.948 -12.235 128 1HD1 ILE 15 HD11 ILE 15 118.077 12.209 -11.824 129 2HD1 ILE 15 HD12 ILE 15 116.934 13.115 -12.815 130 3HD1 ILE 15 HD13 ILE 15 116.575 11.451 -12.355 131 H LYS 16 HN LYS 16 113.876 10.162 -9.017 132 HA LYS 16 HA LYS 16 111.109 10.309 -8.174 133 1HB LYS 16 HB2 LYS 16 110.106 9.184 -10.112 134 2HB LYS 16 HB1 LYS 16 110.828 10.714 -10.609 135 1HG LYS 16 HG2 LYS 16 112.926 9.376 -11.195 136 2HG LYS 16 HG1 LYS 16 111.935 7.929 -11.002 137 1HD LYS 16 HD2 LYS 16 110.584 9.920 -12.634 138 2HD LYS 16 HD1 LYS 16 112.153 9.489 -13.315 139 1HE LYS 16 HE2 LYS 16 111.093 7.682 -14.177 140 2HE LYS 16 HE1 LYS 16 111.144 7.038 -12.536 141 1HZ LYS 16 HZ1 LYS 16 108.946 8.648 -13.717 142 2HZ LYS 16 HZ2 LYS 16 109.000 8.096 -12.110 143 3HZ LYS 16 HZ3 LYS 16 108.903 6.984 -13.391 144 H ALA 17 HN ALA 17 111.220 8.742 -6.639 145 HA ALA 17 HA ALA 17 113.001 6.433 -6.984 146 1HB ALA 17 HB1 ALA 17 112.875 6.260 -4.727 147 2HB ALA 17 HB2 ALA 17 111.114 6.353 -4.735 148 3HB ALA 17 HB3 ALA 17 112.075 7.831 -4.788 149 H ILE 18 HN ILE 18 112.242 4.224 -6.983 150 HA ILE 18 HA ILE 18 109.391 3.946 -7.851 151 HB ILE 18 HB ILE 18 111.859 2.481 -8.825 152 1HG1 ILE 18 HG12 ILE 18 109.776 4.015 -10.397 153 2HG1 ILE 18 HG11 ILE 18 111.228 4.784 -9.755 154 1HG2 ILE 18 HG21 ILE 18 108.975 1.773 -8.872 155 2HG2 ILE 18 HG22 ILE 18 110.392 0.726 -8.947 156 3HG2 ILE 18 HG23 ILE 18 109.844 1.573 -10.393 157 1HD1 ILE 18 HD11 ILE 18 111.339 2.305 -11.483 158 2HD1 ILE 18 HD12 ILE 18 112.662 3.394 -11.064 159 3HD1 ILE 18 HD13 ILE 18 111.389 3.933 -12.160 160 H ASP 19 HN ASP 19 112.104 1.904 -6.693 161 HA ASP 19 HA ASP 19 110.133 0.583 -4.870 162 1HB ASP 19 HB2 ASP 19 112.274 -0.508 -6.630 163 2HB ASP 19 HB1 ASP 19 112.069 -1.278 -5.057 164 H GLY 20 HN GLY 20 111.885 -0.803 -3.256 165 1HA GLY 20 HA2 GLY 20 112.977 1.367 -1.625 166 2HA GLY 20 HA1 GLY 20 112.973 -0.349 -1.202 167 H ASP 21 HN ASP 21 114.188 -0.858 -3.987 168 HA ASP 21 HA ASP 21 116.987 -0.180 -3.184 169 1HB ASP 21 HB2 ASP 21 115.781 -2.544 -4.606 170 2HB ASP 21 HB1 ASP 21 117.484 -2.145 -4.833 171 H THR 22 HN THR 22 114.574 0.154 -5.648 172 HA THR 22 HA THR 22 116.610 1.175 -7.570 173 HB THR 22 HB THR 22 113.682 0.921 -8.199 174 HG1 THR 22 HG1 THR 22 115.587 -1.176 -8.291 175 1HG2 THR 22 HG21 THR 22 114.546 1.590 -10.170 176 2HG2 THR 22 HG22 THR 22 115.279 -0.010 -10.284 177 3HG2 THR 22 HG23 THR 22 116.198 1.334 -9.607 178 H VAL 23 HN VAL 23 116.979 3.333 -7.395 179 HA VAL 23 HA VAL 23 114.625 5.124 -7.030 180 HB VAL 23 HB VAL 23 115.939 6.522 -5.463 181 1HG1 VAL 23 HG11 VAL 23 115.653 3.602 -4.691 182 2HG1 VAL 23 HG12 VAL 23 114.431 4.862 -4.512 183 3HG1 VAL 23 HG13 VAL 23 115.903 4.916 -3.541 184 1HG2 VAL 23 HG21 VAL 23 118.032 5.578 -4.511 185 2HG2 VAL 23 HG22 VAL 23 118.186 5.893 -6.239 186 3HG2 VAL 23 HG23 VAL 23 117.939 4.245 -5.662 187 H LYS 24 HN LYS 24 114.662 6.807 -8.457 188 HA LYS 24 HA LYS 24 117.032 7.071 -10.209 189 1HB LYS 24 HB2 LYS 24 114.401 7.083 -10.815 190 2HB LYS 24 HB1 LYS 24 114.652 8.815 -10.589 191 1HG LYS 24 HG2 LYS 24 115.642 8.949 -12.602 192 2HG LYS 24 HG1 LYS 24 116.857 7.776 -12.092 193 1HD LYS 24 HD2 LYS 24 115.968 6.401 -13.653 194 2HD LYS 24 HD1 LYS 24 114.616 6.205 -12.537 195 1HE LYS 24 HE2 LYS 24 113.547 6.890 -14.511 196 2HE LYS 24 HE1 LYS 24 113.719 8.404 -13.623 197 1HZ LYS 24 HZ1 LYS 24 116.071 8.048 -15.033 198 2HZ LYS 24 HZ2 LYS 24 114.848 9.186 -15.339 199 3HZ LYS 24 HZ3 LYS 24 114.824 7.678 -16.121 200 H LEU 25 HN LEU 25 118.468 8.731 -9.989 201 HA LEU 25 HA LEU 25 117.604 11.142 -8.457 202 1HB LEU 25 HB2 LEU 25 120.389 10.087 -8.112 203 2HB LEU 25 HB1 LEU 25 119.421 11.066 -7.009 204 HG LEU 25 HG LEU 25 118.888 8.156 -7.677 205 1HD1 LEU 25 HD11 LEU 25 119.429 8.401 -4.963 206 2HD1 LEU 25 HD12 LEU 25 120.610 9.475 -5.712 207 3HD1 LEU 25 HD13 LEU 25 120.542 7.776 -6.180 208 1HD2 LEU 25 HD21 LEU 25 116.902 8.419 -6.636 209 2HD2 LEU 25 HD22 LEU 25 117.181 10.160 -6.688 210 3HD2 LEU 25 HD23 LEU 25 117.668 9.231 -5.270 211 H MET 26 HN MET 26 118.748 13.073 -9.046 212 HA MET 26 HA MET 26 119.764 13.018 -11.806 213 1HB MET 26 HB2 MET 26 118.283 14.838 -11.275 214 2HB MET 26 HB1 MET 26 119.215 15.254 -9.837 215 1HG MET 26 HG2 MET 26 120.650 16.514 -11.036 216 2HG MET 26 HG1 MET 26 120.897 15.220 -12.209 217 1HE MET 26 HE1 MET 26 118.135 15.585 -14.758 218 2HE MET 26 HE2 MET 26 117.900 14.673 -13.268 219 3HE MET 26 HE3 MET 26 119.467 14.642 -14.073 220 H TYR 27 HN TYR 27 121.875 12.411 -12.019 221 HA TYR 27 HA TYR 27 123.852 13.696 -10.184 222 1HB TYR 27 HB2 TYR 27 123.566 11.309 -9.590 223 2HB TYR 27 HB1 TYR 27 123.956 10.859 -11.250 224 HD1 TYR 27 HD1 TYR 27 125.417 13.369 -8.873 225 HD2 TYR 27 HD2 TYR 27 126.088 9.919 -11.341 226 HE1 TYR 27 HE1 TYR 27 127.836 13.452 -8.332 227 HE2 TYR 27 HE2 TYR 27 128.506 10.001 -10.800 228 HH TYR 27 HH TYR 27 129.837 11.170 -8.506 229 H LYS 28 HN LYS 28 125.770 14.383 -11.188 230 HA LYS 28 HA LYS 28 127.102 15.128 -12.966 231 1HB LYS 28 HB2 LYS 28 126.048 12.535 -14.124 232 2HB LYS 28 HB1 LYS 28 127.282 13.520 -14.911 233 1HG LYS 28 HG2 LYS 28 128.280 13.347 -12.368 234 2HG LYS 28 HG1 LYS 28 127.499 11.775 -12.539 235 1HD LYS 28 HD2 LYS 28 129.331 12.888 -14.669 236 2HD LYS 28 HD1 LYS 28 129.941 11.931 -13.319 237 1HE LYS 28 HE2 LYS 28 129.495 10.137 -14.632 238 2HE LYS 28 HE1 LYS 28 127.811 10.414 -14.185 239 1HZ LYS 28 HZ1 LYS 28 128.064 12.150 -16.167 240 2HZ LYS 28 HZ2 LYS 28 127.577 10.541 -16.409 241 3HZ LYS 28 HZ3 LYS 28 129.192 10.992 -16.680 242 H GLY 29 HN GLY 29 124.188 15.873 -12.800 243 1HA GLY 29 HA2 GLY 29 122.736 17.205 -14.078 244 2HA GLY 29 HA1 GLY 29 124.040 17.354 -15.256 245 H GLN 30 HN GLN 30 122.500 14.343 -14.172 246 HA GLN 30 HA GLN 30 120.932 14.107 -16.631 247 1HB GLN 30 HB2 GLN 30 122.130 11.991 -17.322 248 2HB GLN 30 HB1 GLN 30 123.069 13.467 -17.545 249 1HG GLN 30 HG2 GLN 30 124.292 13.064 -15.487 250 2HG GLN 30 HG1 GLN 30 123.276 11.671 -15.113 251 1HE2 GLN 30 HE21 GLN 30 125.305 12.825 -17.879 252 2HE2 GLN 30 HE22 GLN 30 125.966 11.298 -18.214 253 HA PRO 31 HA PRO 31 118.611 11.483 -13.953 254 1HB PRO 31 HB2 PRO 31 117.137 10.172 -15.846 255 2HB PRO 31 HB1 PRO 31 116.860 11.868 -15.411 256 1HG PRO 31 HG2 PRO 31 118.239 10.736 -17.812 257 2HG PRO 31 HG1 PRO 31 117.235 12.189 -17.673 258 1HD PRO 31 HD2 PRO 31 120.014 12.206 -17.753 259 2HD PRO 31 HD1 PRO 31 119.020 13.511 -17.069 260 H MET 32 HN MET 32 119.824 9.858 -12.980 261 HA MET 32 HA MET 32 120.406 7.444 -14.648 262 1HB MET 32 HB2 MET 32 122.205 9.065 -12.936 263 2HB MET 32 HB1 MET 32 122.345 7.316 -12.748 264 1HG MET 32 HG2 MET 32 122.537 7.137 -15.252 265 2HG MET 32 HG1 MET 32 122.608 8.897 -15.319 266 1HE MET 32 HE1 MET 32 125.021 6.320 -12.658 267 2HE MET 32 HE2 MET 32 125.258 5.670 -14.278 268 3HE MET 32 HE3 MET 32 123.625 5.888 -13.655 269 H THR 33 HN THR 33 119.866 5.496 -13.688 270 HA THR 33 HA THR 33 118.194 5.596 -11.303 271 HB THR 33 HB THR 33 119.140 2.955 -12.228 272 HG1 THR 33 HG1 THR 33 117.666 4.683 -13.926 273 1HG2 THR 33 HG21 THR 33 116.437 3.034 -12.529 274 2HG2 THR 33 HG22 THR 33 116.668 4.313 -11.337 275 3HG2 THR 33 HG23 THR 33 117.240 2.679 -11.000 276 H PHE 34 HN PHE 34 118.674 4.299 -9.346 277 HA PHE 34 HA PHE 34 121.573 3.760 -8.934 278 1HB PHE 34 HB2 PHE 34 119.814 5.617 -7.342 279 2HB PHE 34 HB1 PHE 34 121.185 4.810 -6.579 280 HD1 PHE 34 HD1 PHE 34 120.183 7.147 -9.285 281 HD2 PHE 34 HD2 PHE 34 123.448 5.431 -7.081 282 HE1 PHE 34 HE1 PHE 34 121.730 8.817 -10.275 283 HE2 PHE 34 HE2 PHE 34 124.992 7.100 -8.070 284 HZ PHE 34 HZ PHE 34 124.134 8.792 -9.666 285 H ARG 35 HN ARG 35 121.707 1.687 -8.255 286 HA ARG 35 HA ARG 35 119.394 0.524 -6.778 287 1HB ARG 35 HB2 ARG 35 120.418 -0.526 -8.932 288 2HB ARG 35 HB1 ARG 35 121.720 -1.053 -7.864 289 1HG ARG 35 HG2 ARG 35 120.236 -2.339 -6.517 290 2HG ARG 35 HG1 ARG 35 118.813 -1.575 -7.227 291 1HD ARG 35 HD2 ARG 35 118.733 -3.252 -8.726 292 2HD ARG 35 HD1 ARG 35 120.257 -2.663 -9.392 293 HE ARG 35 HE ARG 35 120.659 -4.333 -7.048 294 1HH1 ARG 35 HH11 ARG 35 121.380 -3.926 -10.271 295 2HH1 ARG 35 HH12 ARG 35 121.519 -5.610 -10.649 296 1HH2 ARG 35 HH21 ARG 35 120.268 -6.670 -7.594 297 2HH2 ARG 35 HH22 ARG 35 120.889 -7.164 -9.133 298 H LEU 36 HN LEU 36 119.646 0.539 -4.599 299 HA LEU 36 HA LEU 36 121.915 1.159 -3.126 300 1HB LEU 36 HB2 LEU 36 119.848 -0.915 -2.332 301 2HB LEU 36 HB1 LEU 36 120.882 0.002 -1.237 302 HG LEU 36 HG LEU 36 118.664 1.058 -3.003 303 1HD1 LEU 36 HD11 LEU 36 117.900 1.981 -0.788 304 2HD1 LEU 36 HD12 LEU 36 119.202 1.073 -0.020 305 3HD1 LEU 36 HD13 LEU 36 117.909 0.219 -0.860 306 1HD2 LEU 36 HD21 LEU 36 120.716 2.615 -1.395 307 2HD2 LEU 36 HD22 LEU 36 119.337 3.308 -2.249 308 3HD2 LEU 36 HD23 LEU 36 120.642 2.543 -3.156 309 H LEU 37 HN LEU 37 123.883 0.211 -2.989 310 HA LEU 37 HA LEU 37 124.316 -2.460 -4.099 311 1HB LEU 37 HB2 LEU 37 125.912 -0.152 -3.524 312 2HB LEU 37 HB1 LEU 37 126.620 -1.538 -2.694 313 HG LEU 37 HG LEU 37 125.806 -1.573 -5.611 314 1HD1 LEU 37 HD11 LEU 37 128.428 -1.598 -5.818 315 2HD1 LEU 37 HD12 LEU 37 128.368 -0.801 -4.246 316 3HD1 LEU 37 HD13 LEU 37 127.583 -0.059 -5.641 317 1HD2 LEU 37 HD21 LEU 37 126.028 -3.799 -5.186 318 2HD2 LEU 37 HD22 LEU 37 126.884 -3.518 -3.670 319 3HD2 LEU 37 HD23 LEU 37 127.759 -3.463 -5.201 320 H LEU 38 HN LEU 38 124.932 -4.309 -2.932 321 HA LEU 38 HA LEU 38 124.940 -5.769 -1.097 322 1HB LEU 38 HB2 LEU 38 125.670 -3.292 0.488 323 2HB LEU 38 HB1 LEU 38 126.010 -4.969 0.917 324 HG LEU 38 HG LEU 38 127.184 -3.379 -1.374 325 1HD1 LEU 38 HD11 LEU 38 128.121 -4.434 1.249 326 2HD1 LEU 38 HD12 LEU 38 128.596 -2.968 0.392 327 3HD1 LEU 38 HD13 LEU 38 129.256 -4.529 -0.097 328 1HD2 LEU 38 HD21 LEU 38 128.461 -5.728 -1.555 329 2HD2 LEU 38 HD22 LEU 38 126.972 -5.413 -2.446 330 3HD2 LEU 38 HD23 LEU 38 126.919 -6.322 -0.936 331 H VAL 39 HN VAL 39 122.454 -4.327 -1.805 332 HA VAL 39 HA VAL 39 121.105 -4.609 0.842 333 HB VAL 39 HB VAL 39 120.037 -2.587 -1.080 334 1HG1 VAL 39 HG11 VAL 39 120.010 -3.190 1.838 335 2HG1 VAL 39 HG12 VAL 39 118.701 -2.643 0.790 336 3HG1 VAL 39 HG13 VAL 39 119.902 -1.492 1.373 337 1HG2 VAL 39 HG21 VAL 39 121.614 -0.979 0.391 338 2HG2 VAL 39 HG22 VAL 39 122.136 -1.635 -1.161 339 3HG2 VAL 39 HG23 VAL 39 122.655 -2.402 0.340 340 H ASP 40 HN ASP 40 118.922 -5.385 0.689 341 HA ASP 40 HA ASP 40 117.980 -6.172 -2.016 342 1HB ASP 40 HB2 ASP 40 118.970 -7.989 0.076 343 2HB ASP 40 HB1 ASP 40 117.367 -8.410 -0.529 344 H THR 41 HN THR 41 115.803 -5.847 -2.188 345 HA THR 41 HA THR 41 114.293 -5.388 0.353 346 HB THR 41 HB THR 41 112.695 -4.239 -1.461 347 HG1 THR 41 HG1 THR 41 114.117 -3.201 -2.992 348 1HG2 THR 41 HG21 THR 41 113.362 -2.295 -0.482 349 2HG2 THR 41 HG22 THR 41 115.059 -2.562 -0.881 350 3HG2 THR 41 HG23 THR 41 114.346 -3.361 0.521 351 HA PRO 42 HA PRO 42 111.728 -8.829 -0.642 352 1HB PRO 42 HB2 PRO 42 109.493 -8.098 0.751 353 2HB PRO 42 HB1 PRO 42 110.981 -8.656 1.537 354 1HG PRO 42 HG2 PRO 42 109.921 -5.874 1.261 355 2HG PRO 42 HG1 PRO 42 110.837 -6.602 2.591 356 1HD PRO 42 HD2 PRO 42 111.932 -4.929 0.652 357 2HD PRO 42 HD1 PRO 42 112.864 -6.078 1.638 358 H GLU 43 HN GLU 43 109.993 -9.400 -2.052 359 HA GLU 43 HA GLU 43 109.200 -7.329 -3.950 360 1HB GLU 43 HB2 GLU 43 108.969 -10.281 -3.739 361 2HB GLU 43 HB1 GLU 43 107.699 -9.473 -4.659 362 1HG GLU 43 HG2 GLU 43 109.334 -9.865 -6.294 363 2HG GLU 43 HG1 GLU 43 109.674 -8.205 -5.803 364 H THR 44 HN THR 44 107.096 -6.498 -4.240 365 HA THR 44 HA THR 44 105.193 -7.097 -2.009 366 HB THR 44 HB THR 44 104.452 -4.809 -2.099 367 HG1 THR 44 HG1 THR 44 106.214 -4.529 -4.302 368 1HG2 THR 44 HG21 THR 44 107.116 -3.875 -2.290 369 2HG2 THR 44 HG22 THR 44 107.207 -5.519 -1.659 370 3HG2 THR 44 HG23 THR 44 106.233 -4.308 -0.826 371 H LYS 45 HN LYS 45 105.576 -8.109 -4.939 372 HA LYS 45 HA LYS 45 102.749 -7.598 -5.782 373 1HB LYS 45 HB2 LYS 45 105.197 -8.170 -7.478 374 2HB LYS 45 HB1 LYS 45 103.550 -8.094 -8.104 375 1HG LYS 45 HG2 LYS 45 103.994 -5.762 -6.513 376 2HG LYS 45 HG1 LYS 45 105.352 -5.929 -7.628 377 1HD LYS 45 HD2 LYS 45 103.223 -6.534 -9.253 378 2HD LYS 45 HD1 LYS 45 102.529 -5.306 -8.193 379 1HE LYS 45 HE2 LYS 45 105.224 -4.903 -9.486 380 2HE LYS 45 HE1 LYS 45 103.733 -4.494 -10.335 381 1HZ LYS 45 HZ1 LYS 45 104.740 -2.636 -9.051 382 2HZ LYS 45 HZ2 LYS 45 104.405 -3.496 -7.625 383 3HZ LYS 45 HZ3 LYS 45 103.134 -2.982 -8.628 384 H HIS 46 HN HIS 46 105.055 -9.921 -4.796 385 HA HIS 46 HA HIS 46 104.329 -12.263 -6.120 386 1HB HIS 46 HB2 HIS 46 105.661 -11.596 -3.680 387 2HB HIS 46 HB1 HIS 46 104.548 -12.927 -3.364 388 HD1 HIS 46 HD1 HIS 46 104.768 -14.174 -6.287 389 HD2 HIS 46 HD2 HIS 46 107.982 -13.206 -3.814 390 HE1 HIS 46 HE1 HIS 46 106.719 -15.593 -7.059 391 HA PRO 47 HA PRO 47 100.569 -12.760 -3.227 392 1HB PRO 47 HB2 PRO 47 100.150 -10.843 -1.325 393 2HB PRO 47 HB1 PRO 47 101.245 -12.216 -1.092 394 1HG PRO 47 HG2 PRO 47 101.896 -9.366 -1.489 395 2HG PRO 47 HG1 PRO 47 102.894 -10.660 -0.811 396 1HD PRO 47 HD2 PRO 47 102.995 -9.563 -3.482 397 2HD PRO 47 HD1 PRO 47 104.005 -10.854 -2.799 398 H LYS 48 HN LYS 48 98.509 -12.276 -3.949 399 HA LYS 48 HA LYS 48 98.112 -9.623 -5.248 400 1HB LYS 48 HB2 LYS 48 97.194 -12.372 -5.789 401 2HB LYS 48 HB1 LYS 48 95.932 -11.149 -5.939 402 1HG LYS 48 HG2 LYS 48 97.192 -11.542 -8.073 403 2HG LYS 48 HG1 LYS 48 97.279 -9.874 -7.507 404 1HD LYS 48 HD2 LYS 48 99.516 -9.986 -7.235 405 2HD LYS 48 HD1 LYS 48 99.402 -11.521 -6.373 406 1HE LYS 48 HE2 LYS 48 99.681 -12.775 -8.283 407 2HE LYS 48 HE1 LYS 48 98.907 -11.571 -9.312 408 1HZ LYS 48 HZ1 LYS 48 101.114 -11.386 -9.889 409 2HZ LYS 48 HZ2 LYS 48 101.673 -11.649 -8.307 410 3HZ LYS 48 HZ3 LYS 48 100.965 -10.162 -8.725 411 H LYS 49 HN LYS 49 97.284 -11.391 -2.465 412 HA LYS 49 HA LYS 49 94.676 -10.066 -2.082 413 1HB LYS 49 HB2 LYS 49 96.025 -12.367 -0.996 414 2HB LYS 49 HB1 LYS 49 95.553 -11.293 0.322 415 1HG LYS 49 HG2 LYS 49 93.314 -11.583 -0.060 416 2HG LYS 49 HG1 LYS 49 93.525 -11.724 -1.806 417 1HD LYS 49 HD2 LYS 49 94.262 -13.860 0.217 418 2HD LYS 49 HD1 LYS 49 92.822 -13.878 -0.801 419 1HE LYS 49 HE2 LYS 49 95.243 -13.415 -2.359 420 2HE LYS 49 HE1 LYS 49 95.315 -14.936 -1.470 421 1HZ LYS 49 HZ1 LYS 49 94.016 -15.782 -3.035 422 2HZ LYS 49 HZ2 LYS 49 93.757 -14.261 -3.746 423 3HZ LYS 49 HZ3 LYS 49 92.761 -14.789 -2.475 424 H GLY 50 HN GLY 50 97.474 -8.701 -2.137 425 1HA GLY 50 HA2 GLY 50 98.091 -6.615 -1.159 426 2HA GLY 50 HA1 GLY 50 96.871 -6.872 0.094 427 H VAL 51 HN VAL 51 99.912 -6.291 0.117 428 HA VAL 51 HA VAL 51 101.077 -8.641 1.379 429 HB VAL 51 HB VAL 51 102.038 -5.764 1.437 430 1HG1 VAL 51 HG11 VAL 51 103.341 -8.433 2.023 431 2HG1 VAL 51 HG12 VAL 51 103.177 -7.053 3.108 432 3HG1 VAL 51 HG13 VAL 51 104.268 -6.962 1.726 433 1HG2 VAL 51 HG21 VAL 51 103.542 -7.387 -0.345 434 2HG2 VAL 51 HG22 VAL 51 102.501 -6.023 -0.753 435 3HG2 VAL 51 HG23 VAL 51 101.840 -7.658 -0.724 436 H GLU 52 HN GLU 52 100.776 -9.239 3.462 437 HA GLU 52 HA GLU 52 99.580 -7.254 5.334 438 1HB GLU 52 HB2 GLU 52 99.856 -10.253 5.688 439 2HB GLU 52 HB1 GLU 52 98.875 -9.155 6.659 440 1HG GLU 52 HG2 GLU 52 98.480 -9.739 3.709 441 2HG GLU 52 HG1 GLU 52 97.472 -10.345 5.023 442 H LYS 53 HN LYS 53 102.522 -8.773 4.569 443 HA LYS 53 HA LYS 53 103.591 -8.669 7.315 444 1HB LYS 53 HB2 LYS 53 104.807 -9.401 4.640 445 2HB LYS 53 HB1 LYS 53 105.737 -9.353 6.138 446 1HG LYS 53 HG2 LYS 53 104.034 -10.945 7.131 447 2HG LYS 53 HG1 LYS 53 103.363 -11.122 5.509 448 1HD LYS 53 HD2 LYS 53 105.353 -12.097 4.668 449 2HD LYS 53 HD1 LYS 53 106.299 -11.560 6.057 450 1HE LYS 53 HE2 LYS 53 105.636 -13.315 7.348 451 2HE LYS 53 HE1 LYS 53 103.988 -13.277 6.722 452 1HZ LYS 53 HZ1 LYS 53 105.546 -15.236 6.121 453 2HZ LYS 53 HZ2 LYS 53 106.187 -14.155 4.978 454 3HZ LYS 53 HZ3 LYS 53 104.541 -14.573 4.927 455 H TYR 54 HN TYR 54 105.341 -7.558 4.467 456 HA TYR 54 HA TYR 54 105.229 -4.755 5.396 457 1HB TYR 54 HB2 TYR 54 107.845 -6.275 5.156 458 2HB TYR 54 HB1 TYR 54 107.673 -4.561 5.538 459 HD1 TYR 54 HD1 TYR 54 105.873 -4.123 7.526 460 HD2 TYR 54 HD2 TYR 54 108.182 -7.701 6.962 461 HE1 TYR 54 HE1 TYR 54 105.588 -4.684 9.925 462 HE2 TYR 54 HE2 TYR 54 107.898 -8.262 9.361 463 HH TYR 54 HH TYR 54 105.628 -6.804 11.333 464 H GLY 55 HN GLY 55 104.065 -4.958 3.209 465 1HA GLY 55 HA2 GLY 55 105.793 -5.313 0.866 466 2HA GLY 55 HA1 GLY 55 104.088 -4.861 0.837 467 HA PRO 56 HA PRO 56 105.208 -0.636 0.285 468 1HB PRO 56 HB2 PRO 56 103.145 0.611 1.566 469 2HB PRO 56 HB1 PRO 56 102.944 -0.255 0.034 470 1HG PRO 56 HG2 PRO 56 102.140 -1.078 2.782 471 2HG PRO 56 HG1 PRO 56 101.405 -1.487 1.224 472 1HD PRO 56 HD2 PRO 56 103.103 -3.157 2.729 473 2HD PRO 56 HD1 PRO 56 102.660 -3.390 1.024 474 H GLU 57 HN GLU 57 107.010 -1.327 2.063 475 HA GLU 57 HA GLU 57 106.720 0.623 4.311 476 1HB GLU 57 HB2 GLU 57 106.971 -2.166 4.539 477 2HB GLU 57 HB1 GLU 57 108.575 -1.529 4.905 478 1HG GLU 57 HG2 GLU 57 107.493 -1.471 6.993 479 2HG GLU 57 HG1 GLU 57 107.307 0.180 6.401 480 H ALA 58 HN ALA 58 109.195 -1.326 2.595 481 HA ALA 58 HA ALA 58 111.314 0.543 3.154 482 1HB ALA 58 HB1 ALA 58 110.955 -1.892 1.510 483 2HB ALA 58 HB2 ALA 58 112.293 -1.432 2.563 484 3HB ALA 58 HB3 ALA 58 112.187 -0.771 0.931 485 H SER 59 HN SER 59 108.967 0.227 0.548 486 HA SER 59 HA SER 59 110.265 2.095 -1.238 487 1HB SER 59 HB2 SER 59 108.723 0.886 -2.436 488 2HB SER 59 HB1 SER 59 107.622 0.739 -1.068 489 HG SER 59 HG SER 59 106.739 2.140 -2.581 490 H ALA 60 HN ALA 60 107.835 2.392 1.326 491 HA ALA 60 HA ALA 60 107.274 5.187 0.809 492 1HB ALA 60 HB1 ALA 60 105.566 4.384 2.099 493 2HB ALA 60 HB2 ALA 60 106.616 4.869 3.430 494 3HB ALA 60 HB3 ALA 60 106.593 3.190 2.891 495 H PHE 61 HN PHE 61 109.525 3.438 2.911 496 HA PHE 61 HA PHE 61 110.481 5.831 4.254 497 1HB PHE 61 HB2 PHE 61 110.765 3.744 5.405 498 2HB PHE 61 HB1 PHE 61 111.563 3.012 4.013 499 HD1 PHE 61 HD1 PHE 61 111.952 5.232 6.899 500 HD2 PHE 61 HD2 PHE 61 113.859 3.678 3.378 501 HE1 PHE 61 HE1 PHE 61 114.148 6.014 7.744 502 HE2 PHE 61 HE2 PHE 61 116.055 4.459 4.223 503 HZ PHE 61 HZ PHE 61 116.200 5.628 6.406 504 H THR 62 HN THR 62 111.152 4.260 1.239 505 HA THR 62 HA THR 62 113.791 5.459 0.880 506 HB THR 62 HB THR 62 111.900 4.201 -1.134 507 HG1 THR 62 HG1 THR 62 114.222 2.954 -0.299 508 1HG2 THR 62 HG21 THR 62 114.562 3.939 -1.961 509 2HG2 THR 62 HG22 THR 62 114.428 5.606 -1.400 510 3HG2 THR 62 HG23 THR 62 113.346 5.009 -2.658 511 H LYS 63 HN LYS 63 110.491 6.129 -0.282 512 HA LYS 63 HA LYS 63 111.339 8.481 -1.783 513 1HB LYS 63 HB2 LYS 63 109.152 6.874 -1.915 514 2HB LYS 63 HB1 LYS 63 108.497 8.223 -0.987 515 1HG LYS 63 HG2 LYS 63 109.509 9.757 -2.761 516 2HG LYS 63 HG1 LYS 63 109.774 8.305 -3.726 517 1HD LYS 63 HD2 LYS 63 107.352 7.780 -3.568 518 2HD LYS 63 HD1 LYS 63 107.104 9.276 -2.667 519 1HE LYS 63 HE2 LYS 63 107.745 10.621 -4.536 520 2HE LYS 63 HE1 LYS 63 108.374 9.224 -5.411 521 1HZ LYS 63 HZ1 LYS 63 105.773 8.589 -4.823 522 2HZ LYS 63 HZ2 LYS 63 106.381 9.067 -6.336 523 3HZ LYS 63 HZ3 LYS 63 105.711 10.220 -5.283 524 H LYS 64 HN LYS 64 110.252 7.811 1.469 525 HA LYS 64 HA LYS 64 109.612 10.597 2.080 526 1HB LYS 64 HB2 LYS 64 109.614 8.006 3.517 527 2HB LYS 64 HB1 LYS 64 109.949 9.422 4.514 528 1HG LYS 64 HG2 LYS 64 107.860 10.336 4.170 529 2HG LYS 64 HG1 LYS 64 107.690 9.608 2.572 530 1HD LYS 64 HD2 LYS 64 106.593 7.838 3.428 531 2HD LYS 64 HD1 LYS 64 107.881 7.549 4.599 532 1HE LYS 64 HE2 LYS 64 105.998 9.832 5.072 533 2HE LYS 64 HE1 LYS 64 105.446 8.193 5.418 534 1HZ LYS 64 HZ1 LYS 64 106.651 8.165 7.258 535 2HZ LYS 64 HZ2 LYS 64 107.046 9.798 7.004 536 3HZ LYS 64 HZ3 LYS 64 108.064 8.572 6.413 537 H MET 65 HN MET 65 112.333 8.387 2.707 538 HA MET 65 HA MET 65 113.847 10.357 4.200 539 1HB MET 65 HB2 MET 65 114.227 7.929 4.462 540 2HB MET 65 HB1 MET 65 114.787 7.841 2.792 541 1HG MET 65 HG2 MET 65 116.831 8.129 3.795 542 2HG MET 65 HG1 MET 65 116.378 9.828 3.669 543 1HE MET 65 HE1 MET 65 117.973 7.515 5.481 544 2HE MET 65 HE2 MET 65 117.925 7.998 7.174 545 3HE MET 65 HE3 MET 65 118.556 9.114 5.966 546 H VAL 66 HN VAL 66 113.517 9.552 0.805 547 HA VAL 66 HA VAL 66 115.893 11.125 0.061 548 HB VAL 66 HB VAL 66 115.313 10.529 -2.234 549 1HG1 VAL 66 HG11 VAL 66 114.867 7.914 -1.642 550 2HG1 VAL 66 HG12 VAL 66 115.405 8.505 -0.069 551 3HG1 VAL 66 HG13 VAL 66 116.443 8.690 -1.483 552 1HG2 VAL 66 HG21 VAL 66 112.712 9.771 -0.927 553 2HG2 VAL 66 HG22 VAL 66 113.220 8.943 -2.399 554 3HG2 VAL 66 HG23 VAL 66 112.984 10.691 -2.407 555 H GLU 67 HN GLU 67 112.383 11.501 0.122 556 HA GLU 67 HA GLU 67 112.392 13.975 -1.402 557 1HB GLU 67 HB2 GLU 67 110.384 12.438 0.196 558 2HB GLU 67 HB1 GLU 67 110.052 14.137 -0.146 559 1HG GLU 67 HG2 GLU 67 111.021 12.540 -2.446 560 2HG GLU 67 HG1 GLU 67 109.414 12.121 -1.851 561 H ASN 68 HN ASN 68 112.665 13.121 1.996 562 HA ASN 68 HA ASN 68 112.447 15.951 2.816 563 1HB ASN 68 HB2 ASN 68 113.221 13.633 4.590 564 2HB ASN 68 HB1 ASN 68 112.448 15.151 5.048 565 1HD2 ASN 68 HD21 ASN 68 110.644 14.923 2.571 566 2HD2 ASN 68 HD22 ASN 68 109.467 13.786 3.018 567 H ALA 69 HN ALA 69 114.894 13.343 2.931 568 HA ALA 69 HA ALA 69 117.032 14.755 4.036 569 1HB ALA 69 HB1 ALA 69 117.333 12.433 3.540 570 2HB ALA 69 HB2 ALA 69 118.492 13.299 2.531 571 3HB ALA 69 HB3 ALA 69 116.995 12.687 1.828 572 H LYS 70 HN LYS 70 117.166 16.930 3.410 573 HA LYS 70 HA LYS 70 117.067 17.799 0.663 574 1HB LYS 70 HB2 LYS 70 118.498 19.303 2.851 575 2HB LYS 70 HB1 LYS 70 117.581 19.947 1.489 576 1HG LYS 70 HG2 LYS 70 115.591 18.611 2.624 577 2HG LYS 70 HG1 LYS 70 116.586 18.798 4.068 578 1HD LYS 70 HD2 LYS 70 116.368 21.259 2.481 579 2HD LYS 70 HD1 LYS 70 114.821 20.690 3.109 580 1HE LYS 70 HE2 LYS 70 115.412 21.068 5.285 581 2HE LYS 70 HE1 LYS 70 117.092 20.604 5.014 582 1HZ LYS 70 HZ1 LYS 70 116.017 23.090 3.852 583 2HZ LYS 70 HZ2 LYS 70 117.628 22.685 4.206 584 3HZ LYS 70 HZ3 LYS 70 116.546 23.056 5.463 585 H LYS 71 HN LYS 71 119.671 16.806 2.829 586 HA LYS 71 HA LYS 71 121.680 17.428 0.733 587 1HB LYS 71 HB2 LYS 71 122.296 16.194 3.411 588 2HB LYS 71 HB1 LYS 71 123.319 17.221 2.406 589 1HG LYS 71 HG2 LYS 71 121.528 19.047 2.787 590 2HG LYS 71 HG1 LYS 71 120.955 18.019 4.101 591 1HD LYS 71 HD2 LYS 71 122.501 19.495 5.131 592 2HD LYS 71 HD1 LYS 71 123.399 17.992 4.912 593 1HE LYS 71 HE2 LYS 71 124.185 18.975 2.674 594 2HE LYS 71 HE1 LYS 71 123.566 20.518 3.263 595 1HZ LYS 71 HZ1 LYS 71 125.201 20.700 4.776 596 2HZ LYS 71 HZ2 LYS 71 126.033 19.651 3.730 597 3HZ LYS 71 HZ3 LYS 71 125.249 19.038 5.107 598 H ILE 72 HN ILE 72 121.065 15.750 -0.763 599 HA ILE 72 HA ILE 72 121.419 12.959 0.214 600 HB ILE 72 HB ILE 72 120.319 14.039 -2.400 601 1HG1 ILE 72 HG12 ILE 72 118.732 12.420 -0.457 602 2HG1 ILE 72 HG11 ILE 72 119.072 14.096 -0.024 603 1HG2 ILE 72 HG21 ILE 72 120.016 11.197 -1.512 604 2HG2 ILE 72 HG22 ILE 72 121.552 11.685 -2.229 605 3HG2 ILE 72 HG23 ILE 72 120.055 11.862 -3.145 606 1HD1 ILE 72 HD11 ILE 72 117.620 13.065 -2.466 607 2HD1 ILE 72 HD12 ILE 72 118.244 14.712 -2.369 608 3HD1 ILE 72 HD13 ILE 72 117.017 14.165 -1.226 609 H GLU 73 HN GLU 73 123.477 12.220 0.035 610 HA GLU 73 HA GLU 73 125.096 13.154 -2.301 611 1HB GLU 73 HB2 GLU 73 126.086 12.103 0.366 612 2HB GLU 73 HB1 GLU 73 127.079 12.759 -0.936 613 1HG GLU 73 HG2 GLU 73 125.613 14.886 -0.698 614 2HG GLU 73 HG1 GLU 73 125.144 14.210 0.863 615 H VAL 74 HN VAL 74 126.316 11.571 -3.437 616 HA VAL 74 HA VAL 74 125.534 8.744 -2.841 617 HB VAL 74 HB VAL 74 125.880 8.425 -5.367 618 1HG1 VAL 74 HG11 VAL 74 123.606 9.089 -5.849 619 2HG1 VAL 74 HG12 VAL 74 123.624 10.274 -4.543 620 3HG1 VAL 74 HG13 VAL 74 123.659 8.550 -4.170 621 1HG2 VAL 74 HG21 VAL 74 125.802 10.367 -6.766 622 2HG2 VAL 74 HG22 VAL 74 127.045 10.694 -5.559 623 3HG2 VAL 74 HG23 VAL 74 125.447 11.421 -5.397 624 H GLU 75 HN GLU 75 127.192 7.179 -3.054 625 HA GLU 75 HA GLU 75 129.916 8.218 -3.686 626 1HB GLU 75 HB2 GLU 75 129.514 8.170 -1.193 627 2HB GLU 75 HB1 GLU 75 129.301 6.424 -1.322 628 1HG GLU 75 HG2 GLU 75 131.634 6.677 -2.654 629 2HG GLU 75 HG1 GLU 75 131.778 8.051 -1.556 630 H PHE 76 HN PHE 76 130.331 7.028 -5.517 631 HA PHE 76 HA PHE 76 129.357 4.318 -5.877 632 1HB PHE 76 HB2 PHE 76 131.289 6.085 -7.377 633 2HB PHE 76 HB1 PHE 76 131.074 4.392 -7.822 634 HD1 PHE 76 HD1 PHE 76 129.595 7.725 -7.836 635 HD2 PHE 76 HD2 PHE 76 128.831 3.556 -8.536 636 HE1 PHE 76 HE1 PHE 76 127.527 8.312 -9.073 637 HE2 PHE 76 HE2 PHE 76 126.762 4.143 -9.772 638 HZ PHE 76 HZ PHE 76 126.111 6.521 -10.041 639 H ASP 77 HN ASP 77 130.499 2.383 -5.607 640 HA ASP 77 HA ASP 77 132.806 2.516 -3.794 641 1HB ASP 77 HB2 ASP 77 130.783 0.781 -3.886 642 2HB ASP 77 HB1 ASP 77 131.872 -0.061 -4.989 643 H LYS 78 HN LYS 78 134.835 1.375 -4.286 644 HA LYS 78 HA LYS 78 135.986 2.107 -6.761 645 1HB LYS 78 HB2 LYS 78 137.818 0.541 -6.160 646 2HB LYS 78 HB1 LYS 78 137.343 1.548 -4.792 647 1HG LYS 78 HG2 LYS 78 135.806 -0.339 -4.073 648 2HG LYS 78 HG1 LYS 78 136.582 -1.337 -5.303 649 1HD LYS 78 HD2 LYS 78 137.870 -1.834 -3.421 650 2HD LYS 78 HD1 LYS 78 138.804 -0.530 -4.154 651 1HE LYS 78 HE2 LYS 78 136.834 0.690 -2.512 652 2HE LYS 78 HE1 LYS 78 137.568 -0.601 -1.561 653 1HZ LYS 78 HZ1 LYS 78 138.955 1.629 -2.938 654 2HZ LYS 78 HZ2 LYS 78 139.764 0.297 -2.261 655 3HZ LYS 78 HZ3 LYS 78 138.869 1.345 -1.268 656 H GLY 79 HN GLY 79 133.903 -0.524 -6.001 657 1HA GLY 79 HA2 GLY 79 134.746 -2.397 -8.000 658 2HA GLY 79 HA1 GLY 79 133.132 -2.328 -7.289 659 H GLN 80 HN GLN 80 132.440 -2.833 -9.555 660 HA GLN 80 HA GLN 80 132.864 -1.145 -11.776 661 1HB GLN 80 HB2 GLN 80 130.532 -2.875 -10.950 662 2HB GLN 80 HB1 GLN 80 130.495 -1.944 -12.447 663 1HG GLN 80 HG2 GLN 80 132.122 -3.224 -13.450 664 2HG GLN 80 HG1 GLN 80 132.936 -3.572 -11.925 665 1HE2 GLN 80 HE21 GLN 80 129.535 -4.119 -13.014 666 2HE2 GLN 80 HE22 GLN 80 129.532 -5.776 -12.644 667 H ARG 81 HN ARG 81 130.693 0.065 -12.699 668 HA ARG 81 HA ARG 81 129.861 1.960 -10.536 669 1HB ARG 81 HB2 ARG 81 131.517 2.814 -12.333 670 2HB ARG 81 HB1 ARG 81 130.143 2.743 -13.438 671 1HG ARG 81 HG2 ARG 81 128.946 4.381 -12.259 672 2HG ARG 81 HG1 ARG 81 129.881 4.138 -10.784 673 1HD ARG 81 HD2 ARG 81 130.872 5.405 -13.354 674 2HD ARG 81 HD1 ARG 81 130.572 6.231 -11.825 675 HE ARG 81 HE ARG 81 132.919 4.618 -12.470 676 1HH1 ARG 81 HH11 ARG 81 132.771 7.139 -10.752 677 2HH1 ARG 81 HH12 ARG 81 133.111 6.491 -9.182 678 1HH2 ARG 81 HH21 ARG 81 132.528 3.204 -10.121 679 2HH2 ARG 81 HH22 ARG 81 132.973 4.263 -8.825 680 H THR 82 HN THR 82 128.962 0.326 -13.549 681 HA THR 82 HA THR 82 126.105 0.797 -12.809 682 HB THR 82 HB THR 82 125.548 1.011 -15.183 683 HG1 THR 82 HG1 THR 82 126.933 0.052 -16.432 684 1HG2 THR 82 HG21 THR 82 127.778 2.797 -14.195 685 2HG2 THR 82 HG22 THR 82 126.041 3.096 -14.118 686 3HG2 THR 82 HG23 THR 82 126.874 3.127 -15.673 687 H ASP 83 HN ASP 83 124.845 -1.036 -12.859 688 HA ASP 83 HA ASP 83 126.137 -3.607 -13.088 689 1HB ASP 83 HB2 ASP 83 123.665 -2.601 -12.113 690 2HB ASP 83 HB1 ASP 83 123.279 -3.832 -13.316 691 H LYS 84 HN LYS 84 124.068 -5.053 -14.494 692 HA LYS 84 HA LYS 84 124.974 -4.502 -17.246 693 1HB LYS 84 HB2 LYS 84 123.558 -6.766 -15.871 694 2HB LYS 84 HB1 LYS 84 123.463 -6.626 -17.627 695 1HG LYS 84 HG2 LYS 84 126.180 -6.188 -16.858 696 2HG LYS 84 HG1 LYS 84 125.618 -7.657 -16.058 697 1HD LYS 84 HD2 LYS 84 124.802 -7.377 -18.889 698 2HD LYS 84 HD1 LYS 84 126.533 -7.591 -18.624 699 1HE LYS 84 HE2 LYS 84 126.100 -9.605 -17.287 700 2HE LYS 84 HE1 LYS 84 124.362 -9.384 -17.495 701 1HZ LYS 84 HZ1 LYS 84 124.981 -10.918 -19.124 702 2HZ LYS 84 HZ2 LYS 84 126.384 -10.057 -19.546 703 3HZ LYS 84 HZ3 LYS 84 124.853 -9.450 -19.964 704 H TYR 85 HN TYR 85 122.271 -3.795 -15.264 705 HA TYR 85 HA TYR 85 120.513 -3.401 -17.635 706 1HB TYR 85 HB2 TYR 85 120.020 -3.585 -14.671 707 2HB TYR 85 HB1 TYR 85 118.828 -2.822 -15.724 708 HD1 TYR 85 HD1 TYR 85 120.958 -5.910 -15.573 709 HD2 TYR 85 HD2 TYR 85 117.200 -4.167 -16.709 710 HE1 TYR 85 HE1 TYR 85 120.129 -8.145 -16.258 711 HE2 TYR 85 HE2 TYR 85 116.371 -6.401 -17.394 712 HH TYR 85 HH TYR 85 117.762 -9.235 -16.484 713 H GLY 86 HN GLY 86 122.839 -1.688 -16.170 714 1HA GLY 86 HA2 GLY 86 123.318 0.620 -16.470 715 2HA GLY 86 HA1 GLY 86 121.656 0.867 -17.005 716 H ARG 87 HN ARG 87 122.557 -0.744 -13.993 717 HA ARG 87 HA ARG 87 121.014 1.325 -12.530 718 1HB ARG 87 HB2 ARG 87 122.211 -1.174 -11.329 719 2HB ARG 87 HB1 ARG 87 120.821 -0.243 -10.768 720 1HG ARG 87 HG2 ARG 87 120.986 -1.969 -13.251 721 2HG ARG 87 HG1 ARG 87 119.967 -2.229 -11.835 722 1HD ARG 87 HD2 ARG 87 118.954 0.083 -12.364 723 2HD ARG 87 HD1 ARG 87 119.726 -0.080 -13.941 724 HE ARG 87 HE ARG 87 118.382 -2.417 -13.823 725 1HH1 ARG 87 HH11 ARG 87 117.440 0.458 -14.868 726 2HH1 ARG 87 HH12 ARG 87 115.783 0.379 -14.371 727 1HH2 ARG 87 HH21 ARG 87 116.249 -2.394 -12.342 728 2HH2 ARG 87 HH22 ARG 87 115.109 -1.236 -12.941 729 H GLY 88 HN GLY 88 121.963 2.668 -11.000 730 1HA GLY 88 HA2 GLY 88 124.859 2.987 -11.153 731 2HA GLY 88 HA1 GLY 88 123.760 3.970 -10.185 732 H LEU 89 HN LEU 89 125.789 1.131 -10.202 733 HA LEU 89 HA LEU 89 124.936 0.109 -7.629 734 1HB LEU 89 HB2 LEU 89 127.460 -0.294 -9.257 735 2HB LEU 89 HB1 LEU 89 127.144 -1.130 -7.736 736 HG LEU 89 HG LEU 89 125.502 -1.282 -10.277 737 1HD1 LEU 89 HD11 LEU 89 126.097 -3.830 -9.379 738 2HD1 LEU 89 HD12 LEU 89 127.563 -2.930 -8.992 739 3HD1 LEU 89 HD13 LEU 89 126.966 -2.971 -10.651 740 1HD2 LEU 89 HD21 LEU 89 124.413 -3.126 -8.605 741 2HD2 LEU 89 HD22 LEU 89 123.774 -1.492 -8.787 742 3HD2 LEU 89 HD23 LEU 89 124.849 -1.874 -7.442 743 H ALA 90 HN ALA 90 125.046 1.618 -5.977 744 HA ALA 90 HA ALA 90 127.690 2.340 -4.997 745 1HB ALA 90 HB1 ALA 90 125.897 4.425 -6.247 746 2HB ALA 90 HB2 ALA 90 127.614 4.143 -6.536 747 3HB ALA 90 HB3 ALA 90 127.081 4.848 -5.010 748 H TYR 91 HN TYR 91 127.063 4.308 -3.206 749 HA TYR 91 HA TYR 91 124.828 3.087 -1.633 750 1HB TYR 91 HB2 TYR 91 127.273 4.517 -0.551 751 2HB TYR 91 HB1 TYR 91 126.055 3.650 0.384 752 HD1 TYR 91 HD1 TYR 91 125.889 1.181 0.259 753 HD2 TYR 91 HD2 TYR 91 128.988 3.341 -1.785 754 HE1 TYR 91 HE1 TYR 91 127.154 -0.929 -0.053 755 HE2 TYR 91 HE2 TYR 91 130.253 1.231 -2.097 756 HH TYR 91 HH TYR 91 129.107 -1.626 -2.015 757 H ILE 92 HN ILE 92 123.362 4.515 -0.644 758 HA ILE 92 HA ILE 92 123.537 7.329 -1.611 759 HB ILE 92 HB ILE 92 121.117 6.024 -0.368 760 1HG1 ILE 92 HG12 ILE 92 121.845 4.565 -2.199 761 2HG1 ILE 92 HG11 ILE 92 120.407 5.461 -2.688 762 1HG2 ILE 92 HG21 ILE 92 120.204 7.705 -2.257 763 2HG2 ILE 92 HG22 ILE 92 121.749 8.486 -1.924 764 3HG2 ILE 92 HG23 ILE 92 120.583 8.247 -0.623 765 1HD1 ILE 92 HD11 ILE 92 123.213 6.408 -3.310 766 2HD1 ILE 92 HD12 ILE 92 121.698 7.000 -3.993 767 3HD1 ILE 92 HD13 ILE 92 122.283 5.389 -4.409 768 H TYR 93 HN TYR 93 123.101 9.058 -0.099 769 HA TYR 93 HA TYR 93 123.257 8.279 2.777 770 1HB TYR 93 HB2 TYR 93 125.011 10.251 1.299 771 2HB TYR 93 HB1 TYR 93 124.830 10.279 3.053 772 HD1 TYR 93 HD1 TYR 93 125.604 8.384 4.435 773 HD2 TYR 93 HD2 TYR 93 126.220 8.470 0.185 774 HE1 TYR 93 HE1 TYR 93 127.270 6.558 4.639 775 HE2 TYR 93 HE2 TYR 93 127.885 6.643 0.389 776 HH TYR 93 HH TYR 93 128.499 4.877 1.893 777 H ALA 94 HN ALA 94 121.101 8.886 3.156 778 HA ALA 94 HA ALA 94 120.162 11.536 2.284 779 1HB ALA 94 HB1 ALA 94 118.312 10.462 4.103 780 2HB ALA 94 HB2 ALA 94 118.954 9.070 3.231 781 3HB ALA 94 HB3 ALA 94 118.213 10.401 2.343 782 H ASP 95 HN ASP 95 120.742 13.293 3.465 783 HA ASP 95 HA ASP 95 121.175 14.660 5.320 784 1HB ASP 95 HB2 ASP 95 119.668 12.443 6.743 785 2HB ASP 95 HB1 ASP 95 120.117 13.980 7.482 786 H GLY 96 HN GLY 96 123.188 12.812 4.463 787 1HA GLY 96 HA2 GLY 96 125.305 12.136 5.231 788 2HA GLY 96 HA1 GLY 96 124.903 12.860 6.788 789 H LYS 97 HN LYS 97 122.517 10.677 5.774 790 HA LYS 97 HA LYS 97 123.635 8.615 7.625 791 1HB LYS 97 HB2 LYS 97 120.753 8.923 6.742 792 2HB LYS 97 HB1 LYS 97 121.369 7.944 8.075 793 1HG LYS 97 HG2 LYS 97 121.966 10.874 8.089 794 2HG LYS 97 HG1 LYS 97 120.335 10.356 8.513 795 1HD LYS 97 HD2 LYS 97 121.008 9.379 10.467 796 2HD LYS 97 HD1 LYS 97 122.536 8.826 9.781 797 1HE LYS 97 HE2 LYS 97 123.364 11.187 9.846 798 2HE LYS 97 HE1 LYS 97 121.873 11.649 10.667 799 1HZ LYS 97 HZ1 LYS 97 123.498 9.442 11.733 800 2HZ LYS 97 HZ2 LYS 97 122.438 10.491 12.549 801 3HZ LYS 97 HZ3 LYS 97 123.963 11.044 12.042 802 H MET 98 HN MET 98 124.092 6.613 6.803 803 HA MET 98 HA MET 98 124.097 6.160 3.976 804 1HB MET 98 HB2 MET 98 125.630 5.002 5.544 805 2HB MET 98 HB1 MET 98 124.257 4.124 6.220 806 1HG MET 98 HG2 MET 98 125.002 2.585 4.651 807 2HG MET 98 HG1 MET 98 123.834 3.486 3.683 808 1HE MET 98 HE1 MET 98 127.878 2.543 2.498 809 2HE MET 98 HE2 MET 98 126.462 1.661 3.064 810 3HE MET 98 HE3 MET 98 127.506 2.476 4.226 811 H VAL 99 HN VAL 99 122.049 6.323 3.050 812 HA VAL 99 HA VAL 99 119.583 5.516 4.003 813 HB VAL 99 HB VAL 99 120.609 5.102 1.178 814 1HG1 VAL 99 HG11 VAL 99 118.582 4.033 1.059 815 2HG1 VAL 99 HG12 VAL 99 117.988 5.687 0.920 816 3HG1 VAL 99 HG13 VAL 99 117.944 4.863 2.479 817 1HG2 VAL 99 HG21 VAL 99 119.022 7.368 1.242 818 2HG2 VAL 99 HG22 VAL 99 120.785 7.364 1.241 819 3HG2 VAL 99 HG23 VAL 99 119.904 7.472 2.765 820 H ASN 100 HN ASN 100 121.998 3.424 2.413 821 HA ASN 100 HA ASN 100 120.432 1.033 2.504 822 1HB ASN 100 HB2 ASN 100 123.452 1.219 2.672 823 2HB ASN 100 HB1 ASN 100 122.499 -0.138 2.069 824 1HD2 ASN 100 HD21 ASN 100 123.869 0.267 0.028 825 2HD2 ASN 100 HD22 ASN 100 123.311 1.431 -1.073 826 H GLU 101 HN GLU 101 122.833 2.359 4.793 827 HA GLU 101 HA GLU 101 122.640 0.169 6.647 828 1HB GLU 101 HB2 GLU 101 124.352 2.216 6.438 829 2HB GLU 101 HB1 GLU 101 123.270 2.910 7.645 830 1HG GLU 101 HG2 GLU 101 123.510 0.632 8.864 831 2HG GLU 101 HG1 GLU 101 124.916 0.391 7.827 832 H ALA 102 HN ALA 102 120.484 2.706 5.889 833 HA ALA 102 HA ALA 102 119.224 2.769 8.547 834 1HB ALA 102 HB1 ALA 102 118.631 4.089 5.900 835 2HB ALA 102 HB2 ALA 102 119.101 4.848 7.420 836 3HB ALA 102 HB3 ALA 102 117.486 4.164 7.239 837 H LEU 103 HN LEU 103 118.290 1.727 5.270 838 HA LEU 103 HA LEU 103 115.811 0.534 6.052 839 1HB LEU 103 HB2 LEU 103 117.656 0.149 3.695 840 2HB LEU 103 HB1 LEU 103 116.203 -0.834 3.885 841 HG LEU 103 HG LEU 103 115.928 2.123 4.202 842 1HD1 LEU 103 HD11 LEU 103 115.965 2.589 1.900 843 2HD1 LEU 103 HD12 LEU 103 115.840 0.887 1.458 844 3HD1 LEU 103 HD13 LEU 103 117.355 1.522 2.100 845 1HD2 LEU 103 HD21 LEU 103 114.118 0.390 2.581 846 2HD2 LEU 103 HD22 LEU 103 113.719 1.685 3.711 847 3HD2 LEU 103 HD23 LEU 103 114.171 0.093 4.319 848 H VAL 104 HN VAL 104 119.125 -0.631 6.113 849 HA VAL 104 HA VAL 104 118.345 -3.408 6.605 850 HB VAL 104 HB VAL 104 121.046 -2.148 7.131 851 1HG1 VAL 104 HG11 VAL 104 120.245 -4.946 6.282 852 2HG1 VAL 104 HG12 VAL 104 120.588 -4.474 7.946 853 3HG1 VAL 104 HG13 VAL 104 121.862 -4.403 6.729 854 1HG2 VAL 104 HG21 VAL 104 121.557 -2.170 4.888 855 2HG2 VAL 104 HG22 VAL 104 119.822 -1.891 4.741 856 3HG2 VAL 104 HG23 VAL 104 120.473 -3.519 4.549 857 H ARG 105 HN ARG 105 119.580 -0.692 8.553 858 HA ARG 105 HA ARG 105 119.570 -2.200 11.028 859 1HB ARG 105 HB2 ARG 105 120.956 -0.143 10.616 860 2HB ARG 105 HB1 ARG 105 119.471 0.808 10.667 861 1HG ARG 105 HG2 ARG 105 119.102 0.345 12.942 862 2HG ARG 105 HG1 ARG 105 120.167 -1.060 12.924 863 1HD ARG 105 HD2 ARG 105 121.918 0.218 13.522 864 2HD ARG 105 HD1 ARG 105 121.663 1.262 12.123 865 HE ARG 105 HE ARG 105 121.191 2.129 14.703 866 1HH1 ARG 105 HH11 ARG 105 120.333 3.330 11.906 867 2HH1 ARG 105 HH12 ARG 105 118.696 3.754 12.279 868 1HH2 ARG 105 HH21 ARG 105 118.604 1.899 15.207 869 2HH2 ARG 105 HH22 ARG 105 117.718 2.945 14.149 870 H GLN 106 HN GLN 106 117.092 -0.896 9.124 871 HA GLN 106 HA GLN 106 115.292 -0.403 11.426 872 1HB GLN 106 HB2 GLN 106 115.264 0.213 8.518 873 2HB GLN 106 HB1 GLN 106 113.696 -0.103 9.261 874 1HG GLN 106 HG2 GLN 106 115.650 1.766 10.583 875 2HG GLN 106 HG1 GLN 106 114.613 2.340 9.278 876 1HE2 GLN 106 HE21 GLN 106 112.197 1.093 9.742 877 2HE2 GLN 106 HE22 GLN 106 111.595 1.499 11.276 878 H GLY 107 HN GLY 107 116.181 -2.941 9.322 879 1HA GLY 107 HA2 GLY 107 115.423 -5.192 9.447 880 2HA GLY 107 HA1 GLY 107 114.092 -4.657 10.473 881 H LEU 108 HN LEU 108 114.879 -3.198 7.360 882 HA LEU 108 HA LEU 108 112.334 -4.355 6.289 883 1HB LEU 108 HB2 LEU 108 113.479 -1.633 5.609 884 2HB LEU 108 HB1 LEU 108 111.900 -2.273 5.151 885 HG LEU 108 HG LEU 108 112.740 -1.928 8.036 886 1HD1 LEU 108 HD11 LEU 108 112.707 0.302 7.463 887 2HD1 LEU 108 HD12 LEU 108 110.973 0.061 7.679 888 3HD1 LEU 108 HD13 LEU 108 111.672 0.034 6.060 889 1HD2 LEU 108 HD21 LEU 108 110.890 -3.318 8.068 890 2HD2 LEU 108 HD22 LEU 108 110.260 -2.687 6.546 891 3HD2 LEU 108 HD23 LEU 108 110.074 -1.755 8.031 892 H ALA 109 HN ALA 109 115.585 -4.532 5.994 893 HA ALA 109 HA ALA 109 115.395 -5.567 3.263 894 1HB ALA 109 HB1 ALA 109 116.170 -3.755 2.180 895 2HB ALA 109 HB2 ALA 109 117.636 -3.812 3.158 896 3HB ALA 109 HB3 ALA 109 116.251 -2.865 3.700 897 H LYS 110 HN LYS 110 117.119 -6.985 2.798 898 HA LYS 110 HA LYS 110 118.940 -7.505 5.109 899 1HB LYS 110 HB2 LYS 110 118.095 -9.367 2.866 900 2HB LYS 110 HB1 LYS 110 119.107 -9.800 4.245 901 1HG LYS 110 HG2 LYS 110 117.286 -10.172 5.511 902 2HG LYS 110 HG1 LYS 110 116.700 -8.538 5.194 903 1HD LYS 110 HD2 LYS 110 116.231 -9.874 2.799 904 2HD LYS 110 HD1 LYS 110 115.833 -11.074 4.030 905 1HE LYS 110 HE2 LYS 110 113.931 -9.991 4.555 906 2HE LYS 110 HE1 LYS 110 114.809 -8.480 4.799 907 1HZ LYS 110 HZ1 LYS 110 113.049 -8.932 2.815 908 2HZ LYS 110 HZ2 LYS 110 114.524 -9.254 2.036 909 3HZ LYS 110 HZ3 LYS 110 114.261 -7.747 2.776 910 H VAL 111 HN VAL 111 121.175 -8.014 4.619 911 HA VAL 111 HA VAL 111 122.358 -6.346 2.629 912 HB VAL 111 HB VAL 111 123.597 -8.793 3.923 913 1HG1 VAL 111 HG11 VAL 111 124.651 -6.344 2.518 914 2HG1 VAL 111 HG12 VAL 111 125.069 -8.036 2.248 915 3HG1 VAL 111 HG13 VAL 111 125.644 -7.205 3.693 916 1HG2 VAL 111 HG21 VAL 111 122.940 -6.066 4.954 917 2HG2 VAL 111 HG22 VAL 111 124.488 -6.766 5.428 918 3HG2 VAL 111 HG23 VAL 111 122.985 -7.607 5.810 919 H ALA 112 HN ALA 112 122.449 -6.667 0.466 920 HA ALA 112 HA ALA 112 121.491 -9.073 -0.774 921 1HB ALA 112 HB1 ALA 112 121.953 -6.507 -1.626 922 2HB ALA 112 HB2 ALA 112 121.608 -7.865 -2.696 923 3HB ALA 112 HB3 ALA 112 123.277 -7.379 -2.398 924 H TYR 113 HN TYR 113 122.817 -10.442 -2.265 925 HA TYR 113 HA TYR 113 124.865 -11.834 -1.036 926 1HB TYR 113 HB2 TYR 113 123.920 -11.519 -3.785 927 2HB TYR 113 HB1 TYR 113 125.645 -11.879 -3.708 928 HD1 TYR 113 HD1 TYR 113 122.262 -13.078 -2.821 929 HD2 TYR 113 HD2 TYR 113 126.459 -13.995 -2.857 930 HE1 TYR 113 HE1 TYR 113 121.748 -15.454 -2.326 931 HE2 TYR 113 HE2 TYR 113 125.944 -16.370 -2.362 932 HH TYR 113 HH TYR 113 123.814 -17.915 -2.785 933 H VAL 114 HN VAL 114 127.143 -11.684 -0.978 934 HA VAL 114 HA VAL 114 128.198 -8.956 -1.547 935 HB VAL 114 HB VAL 114 129.265 -11.204 0.188 936 1HG1 VAL 114 HG11 VAL 114 130.814 -9.233 0.929 937 2HG1 VAL 114 HG12 VAL 114 130.406 -8.544 -0.642 938 3HG1 VAL 114 HG13 VAL 114 131.207 -10.112 -0.548 939 1HG2 VAL 114 HG21 VAL 114 128.774 -9.604 2.020 940 2HG2 VAL 114 HG22 VAL 114 127.315 -10.022 1.121 941 3HG2 VAL 114 HG23 VAL 114 128.110 -8.472 0.842 942 H TYR 115 HN TYR 115 129.352 -8.752 -3.403 943 HA TYR 115 HA TYR 115 130.956 -11.105 -4.309 944 1HB TYR 115 HB2 TYR 115 129.082 -9.350 -5.884 945 2HB TYR 115 HB1 TYR 115 130.432 -10.159 -6.680 946 HD1 TYR 115 HD1 TYR 115 127.080 -10.518 -5.477 947 HD2 TYR 115 HD2 TYR 115 130.687 -12.710 -6.273 948 HE1 TYR 115 HE1 TYR 115 125.784 -12.632 -5.531 949 HE2 TYR 115 HE2 TYR 115 129.391 -14.823 -6.328 950 HH TYR 115 HH TYR 115 126.334 -15.135 -5.119 951 H LYS 116 HN LYS 116 133.063 -10.543 -4.288 952 HA LYS 116 HA LYS 116 134.054 -7.911 -3.932 953 1HB LYS 116 HB2 LYS 116 135.590 -10.097 -5.346 954 2HB LYS 116 HB1 LYS 116 136.215 -8.841 -4.277 955 1HG LYS 116 HG2 LYS 116 134.555 -9.976 -2.538 956 2HG LYS 116 HG1 LYS 116 134.785 -11.375 -3.587 957 1HD LYS 116 HD2 LYS 116 136.895 -11.708 -2.846 958 2HD LYS 116 HD1 LYS 116 137.296 -9.996 -2.991 959 1HE LYS 116 HE2 LYS 116 135.635 -9.882 -0.865 960 2HE LYS 116 HE1 LYS 116 136.279 -11.509 -0.644 961 1HZ LYS 116 HZ1 LYS 116 138.243 -9.499 -1.324 962 2HZ LYS 116 HZ2 LYS 116 138.306 -10.732 -0.157 963 3HZ LYS 116 HZ3 LYS 116 137.500 -9.276 0.184 964 HA PRO 117 HA PRO 117 136.019 -7.015 -4.486 965 1HB PRO 117 HB2 PRO 117 136.604 -4.464 -5.260 966 2HB PRO 117 HB1 PRO 117 137.433 -5.884 -5.919 967 1HG PRO 117 HG2 PRO 117 135.382 -4.146 -7.189 968 2HG PRO 117 HG1 PRO 117 136.664 -5.109 -7.940 969 1HD PRO 117 HD2 PRO 117 133.923 -5.808 -7.773 970 2HD PRO 117 HD1 PRO 117 135.256 -6.877 -8.262 971 H ASN 118 HN ASN 118 133.047 -5.709 -5.546 972 HA ASN 118 HA ASN 118 132.646 -3.495 -3.843 973 1HB ASN 118 HB2 ASN 118 130.888 -5.484 -5.181 974 2HB ASN 118 HB1 ASN 118 130.174 -4.584 -3.842 975 1HD2 ASN 118 HD21 ASN 118 130.607 -4.443 -7.151 976 2HD2 ASN 118 HD22 ASN 118 130.511 -2.762 -7.367 977 H ASN 119 HN ASN 119 133.546 -3.820 -1.778 978 HA ASN 119 HA ASN 119 131.863 -5.312 0.091 979 1HB ASN 119 HB2 ASN 119 134.129 -6.603 -1.032 980 2HB ASN 119 HB1 ASN 119 134.552 -6.180 0.627 981 1HD2 ASN 119 HD21 ASN 119 134.196 -8.901 -0.035 982 2HD2 ASN 119 HD22 ASN 119 132.765 -9.473 0.697 983 H THR 120 HN THR 120 132.644 -2.544 -0.273 984 HA THR 120 HA THR 120 134.696 -1.888 1.679 985 HB THR 120 HB THR 120 132.568 0.029 0.756 986 HG1 THR 120 HG1 THR 120 134.840 -0.849 -0.696 987 1HG2 THR 120 HG21 THR 120 134.818 0.291 2.329 988 2HG2 THR 120 HG22 THR 120 134.026 1.609 1.466 989 3HG2 THR 120 HG23 THR 120 135.405 0.783 0.741 990 H HIS 121 HN HIS 121 131.264 -0.926 1.704 991 HA HIS 121 HA HIS 121 131.315 -0.897 4.647 992 1HB HIS 121 HB2 HIS 121 129.224 -0.163 2.586 993 2HB HIS 121 HB1 HIS 121 128.890 -0.156 4.318 994 HD1 HIS 121 HD1 HIS 121 129.947 1.709 5.736 995 HD2 HIS 121 HD2 HIS 121 131.100 1.844 1.732 996 HE1 HIS 121 HE1 HIS 121 131.135 3.921 5.407 997 H GLU 122 HN GLU 122 131.762 -3.467 3.915 998 HA GLU 122 HA GLU 122 129.195 -4.915 3.783 999 1HB GLU 122 HB2 GLU 122 131.345 -5.629 2.579 1000 2HB GLU 122 HB1 GLU 122 131.942 -6.122 4.164 1001 1HG GLU 122 HG2 GLU 122 129.237 -7.054 3.253 1002 2HG GLU 122 HG1 GLU 122 130.683 -7.868 2.654 1003 H GLN 123 HN GLN 123 132.041 -5.181 5.949 1004 HA GLN 123 HA GLN 123 130.804 -6.578 8.031 1005 1HB GLN 123 HB2 GLN 123 132.987 -4.492 8.048 1006 2HB GLN 123 HB1 GLN 123 132.461 -5.285 9.533 1007 1HG GLN 123 HG2 GLN 123 133.890 -6.952 9.013 1008 2HG GLN 123 HG1 GLN 123 132.771 -7.382 7.718 1009 1HE2 GLN 123 HE21 GLN 123 135.920 -6.085 8.403 1010 2HE2 GLN 123 HE22 GLN 123 136.356 -5.739 6.799 1011 H LEU 124 HN LEU 124 130.652 -3.126 7.295 1012 HA LEU 124 HA LEU 124 129.370 -2.313 9.730 1013 1HB LEU 124 HB2 LEU 124 130.392 -0.694 8.184 1014 2HB LEU 124 HB1 LEU 124 129.198 -1.105 6.952 1015 HG LEU 124 HG LEU 124 127.743 -0.514 9.309 1016 1HD1 LEU 124 HD11 LEU 124 129.900 0.611 10.023 1017 2HD1 LEU 124 HD12 LEU 124 128.503 1.683 9.931 1018 3HD1 LEU 124 HD13 LEU 124 129.708 1.693 8.643 1019 1HD2 LEU 124 HD21 LEU 124 128.177 0.690 6.600 1020 2HD2 LEU 124 HD22 LEU 124 127.280 1.626 7.797 1021 3HD2 LEU 124 HD23 LEU 124 126.701 0.033 7.308 1022 H LEU 125 HN LEU 125 128.093 -3.413 6.595 1023 HA LEU 125 HA LEU 125 125.324 -3.018 7.302 1024 1HB LEU 125 HB2 LEU 125 126.772 -4.581 5.178 1025 2HB LEU 125 HB1 LEU 125 125.038 -4.809 5.409 1026 HG LEU 125 HG LEU 125 126.411 -2.152 4.901 1027 1HD1 LEU 125 HD11 LEU 125 126.317 -3.694 2.935 1028 2HD1 LEU 125 HD12 LEU 125 125.331 -2.248 2.716 1029 3HD1 LEU 125 HD13 LEU 125 124.566 -3.783 3.129 1030 1HD2 LEU 125 HD21 LEU 125 123.855 -1.600 4.491 1031 2HD2 LEU 125 HD22 LEU 125 124.516 -1.571 6.126 1032 3HD2 LEU 125 HD23 LEU 125 123.601 -2.972 5.569 1033 H ARG 126 HN ARG 126 127.655 -5.527 7.951 1034 HA ARG 126 HA ARG 126 125.719 -7.588 8.604 1035 1HB ARG 126 HB2 ARG 126 128.466 -7.511 8.240 1036 2HB ARG 126 HB1 ARG 126 128.302 -7.769 9.978 1037 1HG ARG 126 HG2 ARG 126 128.023 -9.954 9.438 1038 2HG ARG 126 HG1 ARG 126 126.394 -9.474 8.959 1039 1HD ARG 126 HD2 ARG 126 127.177 -9.070 6.661 1040 2HD ARG 126 HD1 ARG 126 128.815 -9.521 7.132 1041 HE ARG 126 HE ARG 126 126.525 -11.383 6.846 1042 1HH1 ARG 126 HH11 ARG 126 129.309 -11.484 5.512 1043 2HH1 ARG 126 HH12 ARG 126 130.019 -12.810 6.371 1044 1HH2 ARG 126 HH21 ARG 126 127.649 -12.785 8.902 1045 2HH2 ARG 126 HH22 ARG 126 129.079 -13.546 8.290 1046 H LYS 127 HN LYS 127 127.369 -5.032 10.397 1047 HA LYS 127 HA LYS 127 126.545 -5.956 13.013 1048 1HB LYS 127 HB2 LYS 127 127.946 -3.649 11.880 1049 2HB LYS 127 HB1 LYS 127 126.888 -3.206 13.220 1050 1HG LYS 127 HG2 LYS 127 128.119 -4.373 14.757 1051 2HG LYS 127 HG1 LYS 127 128.529 -5.650 13.610 1052 1HD LYS 127 HD2 LYS 127 130.507 -4.679 13.153 1053 2HD LYS 127 HD1 LYS 127 129.712 -3.152 12.767 1054 1HE LYS 127 HE2 LYS 127 130.719 -2.340 14.625 1055 2HE LYS 127 HE1 LYS 127 129.521 -3.267 15.528 1056 1HZ LYS 127 HZ1 LYS 127 131.182 -4.456 16.344 1057 2HZ LYS 127 HZ2 LYS 127 132.313 -3.672 15.347 1058 3HZ LYS 127 HZ3 LYS 127 131.497 -5.054 14.788 1059 H SER 128 HN SER 128 125.248 -3.554 10.718 1060 HA SER 128 HA SER 128 123.080 -2.694 12.381 1061 1HB SER 128 HB2 SER 128 123.727 -2.549 9.469 1062 2HB SER 128 HB1 SER 128 122.062 -2.243 9.955 1063 HG SER 128 HG SER 128 124.398 -0.816 10.499 1064 H GLU 129 HN GLU 129 123.336 -5.278 9.943 1065 HA GLU 129 HA GLU 129 120.584 -6.045 9.992 1066 1HB GLU 129 HB2 GLU 129 122.047 -6.865 8.236 1067 2HB GLU 129 HB1 GLU 129 123.081 -7.669 9.418 1068 1HG GLU 129 HG2 GLU 129 121.561 -9.369 9.801 1069 2HG GLU 129 HG1 GLU 129 120.171 -8.357 9.405 1070 H ALA 130 HN ALA 130 123.337 -6.956 12.028 1071 HA ALA 130 HA ALA 130 121.942 -9.037 13.459 1072 1HB ALA 130 HB1 ALA 130 124.512 -8.465 13.330 1073 2HB ALA 130 HB2 ALA 130 123.842 -9.169 14.802 1074 3HB ALA 130 HB3 ALA 130 124.148 -7.434 14.713 1075 H GLN 131 HN GLN 131 122.292 -5.547 13.921 1076 HA GLN 131 HA GLN 131 121.176 -5.438 16.560 1077 1HB GLN 131 HB2 GLN 131 122.263 -3.597 14.822 1078 2HB GLN 131 HB1 GLN 131 120.557 -3.147 14.822 1079 1HG GLN 131 HG2 GLN 131 121.708 -3.767 17.480 1080 2HG GLN 131 HG1 GLN 131 122.324 -2.306 16.708 1081 1HE2 GLN 131 HE21 GLN 131 120.261 -1.089 15.515 1082 2HE2 GLN 131 HE22 GLN 131 118.952 -0.837 16.567 1083 H ALA 132 HN ALA 132 119.669 -4.980 13.347 1084 HA ALA 132 HA ALA 132 117.017 -4.575 14.275 1085 1HB ALA 132 HB1 ALA 132 118.308 -4.930 11.773 1086 2HB ALA 132 HB2 ALA 132 116.648 -4.408 12.058 1087 3HB ALA 132 HB3 ALA 132 117.009 -6.120 11.842 1088 H LYS 133 HN LYS 133 118.819 -7.548 13.579 1089 HA LYS 133 HA LYS 133 116.575 -9.309 14.100 1090 1HB LYS 133 HB2 LYS 133 119.568 -9.796 14.041 1091 2HB LYS 133 HB1 LYS 133 118.367 -11.075 14.224 1092 1HG LYS 133 HG2 LYS 133 117.468 -9.584 12.034 1093 2HG LYS 133 HG1 LYS 133 119.216 -9.683 11.814 1094 1HD LYS 133 HD2 LYS 133 118.233 -12.237 12.698 1095 2HD LYS 133 HD1 LYS 133 117.295 -11.706 11.302 1096 1HE LYS 133 HE2 LYS 133 119.010 -12.222 9.943 1097 2HE LYS 133 HE1 LYS 133 120.043 -11.086 10.811 1098 1HZ LYS 133 HZ1 LYS 133 121.008 -12.721 11.969 1099 2HZ LYS 133 HZ2 LYS 133 120.430 -13.737 10.737 1100 3HZ LYS 133 HZ3 LYS 133 119.561 -13.578 12.188 1101 H LYS 134 HN LYS 134 118.890 -7.632 16.061 1102 HA LYS 134 HA LYS 134 118.453 -9.367 18.400 1103 1HB LYS 134 HB2 LYS 134 120.657 -8.249 17.960 1104 2HB LYS 134 HB1 LYS 134 119.874 -6.693 18.238 1105 1HG LYS 134 HG2 LYS 134 120.964 -7.455 20.297 1106 2HG LYS 134 HG1 LYS 134 119.212 -7.456 20.508 1107 1HD LYS 134 HD2 LYS 134 119.173 -9.683 20.856 1108 2HD LYS 134 HD1 LYS 134 120.148 -9.985 19.417 1109 1HE LYS 134 HE2 LYS 134 121.504 -10.761 21.190 1110 2HE LYS 134 HE1 LYS 134 122.146 -9.158 20.836 1111 1HZ LYS 134 HZ1 LYS 134 120.094 -9.675 22.912 1112 2HZ LYS 134 HZ2 LYS 134 120.966 -8.240 22.655 1113 3HZ LYS 134 HZ3 LYS 134 121.758 -9.626 23.237 1114 H GLU 135 HN GLU 135 116.892 -6.722 16.926 1115 HA GLU 135 HA GLU 135 115.607 -5.959 19.512 1116 1HB GLU 135 HB2 GLU 135 115.932 -4.511 16.879 1117 2HB GLU 135 HB1 GLU 135 114.750 -3.992 18.081 1118 1HG GLU 135 HG2 GLU 135 117.009 -4.335 19.615 1119 2HG GLU 135 HG1 GLU 135 117.680 -3.728 18.101 1120 H LYS 136 HN LYS 136 115.121 -7.758 16.678 1121 HA LYS 136 HA LYS 136 113.211 -8.863 15.866 1122 1HB LYS 136 HB2 LYS 136 111.727 -7.786 18.274 1123 2HB LYS 136 HB1 LYS 136 111.420 -9.275 17.381 1124 1HG LYS 136 HG2 LYS 136 112.991 -10.433 18.539 1125 2HG LYS 136 HG1 LYS 136 114.141 -9.098 18.494 1126 1HD LYS 136 HD2 LYS 136 113.353 -8.165 20.452 1127 2HD LYS 136 HD1 LYS 136 111.719 -8.783 20.212 1128 1HE LYS 136 HE2 LYS 136 112.163 -10.694 21.339 1129 2HE LYS 136 HE1 LYS 136 113.705 -10.916 20.512 1130 1HZ LYS 136 HZ1 LYS 136 114.121 -10.554 22.819 1131 2HZ LYS 136 HZ2 LYS 136 113.163 -9.151 22.836 1132 3HZ LYS 136 HZ3 LYS 136 114.629 -9.172 21.977 1133 H LEU 137 HN LEU 137 113.716 -6.578 14.640 1134 HA LEU 137 HA LEU 137 111.358 -4.799 14.810 1135 1HB LEU 137 HB2 LEU 137 114.034 -4.652 13.442 1136 2HB LEU 137 HB1 LEU 137 112.730 -3.562 12.979 1137 HG LEU 137 HG LEU 137 113.573 -3.916 15.858 1138 1HD1 LEU 137 HD11 LEU 137 114.631 -2.014 13.754 1139 2HD1 LEU 137 HD12 LEU 137 115.554 -3.131 14.758 1140 3HD1 LEU 137 HD13 LEU 137 114.796 -1.714 15.484 1141 1HD2 LEU 137 HD21 LEU 137 112.450 -1.741 16.108 1142 2HD2 LEU 137 HD22 LEU 137 111.350 -2.912 15.381 1143 3HD2 LEU 137 HD23 LEU 137 112.131 -1.693 14.375 1144 H ASN 138 HN ASN 138 109.647 -5.120 13.531 1145 HA ASN 138 HA ASN 138 108.311 -5.830 11.756 1146 1HB ASN 138 HB2 ASN 138 110.909 -5.235 10.330 1147 2HB ASN 138 HB1 ASN 138 109.412 -5.630 9.484 1148 1HD2 ASN 138 HD21 ASN 138 110.765 -3.290 11.857 1149 2HD2 ASN 138 HD22 ASN 138 109.706 -2.029 11.445 1150 H ILE 139 HN ILE 139 110.795 -7.189 9.805 1151 HA ILE 139 HA ILE 139 109.598 -9.767 9.810 1152 HB ILE 139 HB ILE 139 111.917 -10.409 8.780 1153 1HG1 ILE 139 HG12 ILE 139 112.093 -7.418 8.469 1154 2HG1 ILE 139 HG11 ILE 139 112.883 -8.231 9.820 1155 1HG2 ILE 139 HG21 ILE 139 110.317 -8.250 7.396 1156 2HG2 ILE 139 HG22 ILE 139 109.706 -9.891 7.608 1157 3HG2 ILE 139 HG23 ILE 139 111.166 -9.610 6.660 1158 1HD1 ILE 139 HD11 ILE 139 114.335 -7.902 7.754 1159 2HD1 ILE 139 HD12 ILE 139 113.291 -9.067 6.940 1160 3HD1 ILE 139 HD13 ILE 139 114.232 -9.559 8.348 1161 H TRP 140 HN TRP 140 112.333 -8.481 11.662 1162 HA TRP 140 HA TRP 140 113.101 -11.073 12.710 1163 1HB TRP 140 HB2 TRP 140 113.693 -8.351 13.896 1164 2HB TRP 140 HB1 TRP 140 114.595 -9.846 14.151 1165 HD1 TRP 140 HD1 TRP 140 115.263 -6.878 12.514 1166 HE1 TRP 140 HE1 TRP 140 116.551 -7.156 10.297 1167 HE3 TRP 140 HE3 TRP 140 114.410 -11.833 11.610 1168 HZ2 TRP 140 HZ2 TRP 140 117.143 -9.209 8.393 1169 HZ3 TRP 140 HZ3 TRP 140 115.344 -12.921 9.590 1170 HH2 TRP 140 HH2 TRP 140 116.708 -11.617 7.982 1171 H SER 141 HN SER 141 110.341 -9.349 13.231 1172 HA SER 141 HA SER 141 110.177 -9.957 16.131 1173 1HB SER 141 HB2 SER 141 109.334 -7.760 15.151 1174 2HB SER 141 HB1 SER 141 108.051 -8.692 14.383 1175 HG SER 141 HG SER 141 108.232 -7.824 16.909 1176 H GLU 142 HN GLU 142 110.378 -12.325 15.084 1177 HA GLU 142 HA GLU 142 107.619 -13.306 14.483 1178 1HB GLU 142 HB2 GLU 142 110.153 -14.904 14.120 1179 2HB GLU 142 HB1 GLU 142 108.590 -15.129 13.334 1180 1HG GLU 142 HG2 GLU 142 108.925 -12.857 12.255 1181 2HG GLU 142 HG1 GLU 142 110.579 -12.895 12.867 1182 H ASP 143 HN ASP 143 110.290 -13.504 16.718 1183 HA ASP 143 HA ASP 143 109.709 -15.922 18.054 1184 1HB ASP 143 HB2 ASP 143 111.062 -13.379 18.744 1185 2HB ASP 143 HB1 ASP 143 110.477 -14.318 20.118 1186 H ASN 144 HN ASN 144 107.963 -16.556 19.230 1187 HA ASN 144 HA ASN 144 105.922 -14.507 19.913 1188 1HB ASN 144 HB2 ASN 144 105.498 -16.829 18.720 1189 2HB ASN 144 HB1 ASN 144 105.537 -17.449 20.371 1190 1HD2 ASN 144 HD21 ASN 144 104.188 -14.419 18.933 1191 2HD2 ASN 144 HD22 ASN 144 102.639 -14.624 19.598 1192 H ALA 145 HN ALA 145 107.557 -17.291 21.448 1193 HA ALA 145 HA ALA 145 107.596 -15.770 23.997 1194 1HB ALA 145 HB1 ALA 145 106.969 -18.574 24.464 1195 2HB ALA 145 HB2 ALA 145 105.714 -17.788 23.506 1196 3HB ALA 145 HB3 ALA 145 106.160 -17.135 25.083 1197 H ASP 146 HN ASP 146 108.472 -18.894 22.482 1198 HA ASP 146 HA ASP 146 110.406 -20.209 22.796 1199 1HB ASP 146 HB2 ASP 146 111.294 -17.397 22.272 1200 2HB ASP 146 HB1 ASP 146 112.515 -18.598 22.698 1201 H SER 147 HN SER 147 109.141 -19.616 25.266 1202 HA SER 147 HA SER 147 111.485 -19.100 27.051 1203 1HB SER 147 HB2 SER 147 108.774 -18.143 27.102 1204 2HB SER 147 HB1 SER 147 109.069 -19.107 28.546 1205 HG SER 147 HG SER 147 110.817 -17.810 29.023 1206 H GLY 148 HN GLY 148 111.910 -21.483 26.399 1207 1HA GLY 148 HA2 GLY 148 112.177 -23.448 27.890 1208 2HA GLY 148 HA1 GLY 148 110.492 -23.232 28.367 1209 H GLN 149 HN GLN 149 108.843 -23.584 26.653 1210 HA GLN 149 HA GLN 149 109.331 -26.025 25.217 1211 1HB GLN 149 HB2 GLN 149 107.097 -23.997 25.207 1212 2HB GLN 149 HB1 GLN 149 107.092 -25.360 24.086 1213 1HG GLN 149 HG2 GLN 149 107.556 -25.828 27.022 1214 2HG GLN 149 HG1 GLN 149 105.915 -25.631 26.406 1215 1HE2 GLN 149 HE21 GLN 149 108.048 -28.020 27.170 1216 2HE2 GLN 149 HE22 GLN 149 107.583 -29.205 26.046
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