NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22122 | 2jm5 | 7106 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 HT1 SER 1 138.433 4.864 9.925 2 2H SER 1 HT2 SER 1 139.247 3.387 9.629 3 3H SER 1 HT3 SER 1 137.559 3.426 9.634 4 HA SER 1 HA SER 1 138.479 3.297 7.457 5 1HB SER 1 HB2 SER 1 137.168 5.952 8.084 6 2HB SER 1 HB1 SER 1 137.232 5.186 6.496 7 HG SER 1 HG SER 1 136.197 3.326 7.642 8 H MET 2 HN MET 2 140.109 3.703 6.198 9 HA MET 2 HA MET 2 141.562 6.218 6.414 10 1HB MET 2 HB2 MET 2 142.773 4.693 7.927 11 2HB MET 2 HB1 MET 2 142.919 3.514 6.633 12 1HG MET 2 HG2 MET 2 144.316 5.065 5.368 13 2HG MET 2 HG1 MET 2 144.153 6.261 6.653 14 1HE MET 2 HE1 MET 2 144.580 2.358 7.060 15 2HE MET 2 HE2 MET 2 146.335 2.211 7.171 16 3HE MET 2 HE3 MET 2 145.590 2.732 5.663 17 H VAL 3 HN VAL 3 140.921 6.819 4.429 18 HA VAL 3 HA VAL 3 141.830 5.136 2.212 19 HB VAL 3 HB VAL 3 139.414 4.889 2.195 20 1HG1 VAL 3 HG11 VAL 3 138.842 6.797 3.614 21 2HG1 VAL 3 HG12 VAL 3 137.888 6.794 2.126 22 3HG1 VAL 3 HG13 VAL 3 139.258 7.894 2.294 23 1HG2 VAL 3 HG21 VAL 3 138.797 5.776 0.075 24 2HG2 VAL 3 HG22 VAL 3 140.504 5.329 -0.011 25 3HG2 VAL 3 HG23 VAL 3 140.023 7.025 0.161 26 H SER 4 HN SER 4 143.089 6.104 0.781 27 HA SER 4 HA SER 4 143.851 8.829 1.114 28 1HB SER 4 HB2 SER 4 145.183 8.302 -0.999 29 2HB SER 4 HB1 SER 4 145.538 7.288 0.400 30 HG SER 4 HG SER 4 145.275 6.134 -1.600 31 HA PRO 5 HA PRO 5 140.758 11.013 -1.186 32 1HB PRO 5 HB2 PRO 5 143.185 12.342 -2.339 33 2HB PRO 5 HB1 PRO 5 141.686 13.070 -1.750 34 1HG PRO 5 HG2 PRO 5 143.847 13.101 -0.225 35 2HG PRO 5 HG1 PRO 5 142.255 12.759 0.483 36 1HD PRO 5 HD2 PRO 5 144.513 10.902 -0.084 37 2HD PRO 5 HD1 PRO 5 143.303 10.848 1.214 38 H GLU 6 HN GLU 6 143.578 9.710 -2.856 39 HA GLU 6 HA GLU 6 142.557 9.818 -5.494 40 1HB GLU 6 HB2 GLU 6 144.922 9.394 -5.033 41 2HB GLU 6 HB1 GLU 6 144.513 7.859 -4.278 42 1HG GLU 6 HG2 GLU 6 143.650 7.053 -6.426 43 2HG GLU 6 HG1 GLU 6 144.115 8.581 -7.170 44 H GLU 7 HN GLU 7 142.673 7.109 -3.198 45 HA GLU 7 HA GLU 7 141.166 5.240 -4.688 46 1HB GLU 7 HB2 GLU 7 142.606 4.535 -2.905 47 2HB GLU 7 HB1 GLU 7 141.874 5.642 -1.774 48 1HG GLU 7 HG2 GLU 7 141.324 3.375 -1.216 49 2HG GLU 7 HG1 GLU 7 139.875 4.234 -1.706 50 H ALA 8 HN ALA 8 140.320 7.782 -2.416 51 HA ALA 8 HA ALA 8 137.598 7.085 -2.213 52 1HB ALA 8 HB1 ALA 8 138.744 8.479 -0.552 53 2HB ALA 8 HB2 ALA 8 137.249 9.239 -1.118 54 3HB ALA 8 HB3 ALA 8 138.814 9.810 -1.709 55 H VAL 9 HN VAL 9 139.187 9.594 -4.327 56 HA VAL 9 HA VAL 9 136.785 10.285 -5.638 57 HB VAL 9 HB VAL 9 138.049 11.232 -7.491 58 1HG1 VAL 9 HG11 VAL 9 139.461 11.787 -4.916 59 2HG1 VAL 9 HG12 VAL 9 138.004 12.564 -5.518 60 3HG1 VAL 9 HG13 VAL 9 139.537 12.791 -6.367 61 1HG2 VAL 9 HG21 VAL 9 139.679 9.480 -7.890 62 2HG2 VAL 9 HG22 VAL 9 140.502 9.871 -6.383 63 3HG2 VAL 9 HG23 VAL 9 140.487 11.037 -7.707 64 H LYS 10 HN LYS 10 138.848 7.625 -6.004 65 HA LYS 10 HA LYS 10 137.951 6.612 -8.473 66 1HB LYS 10 HB2 LYS 10 139.248 5.367 -6.077 67 2HB LYS 10 HB1 LYS 10 138.865 4.453 -7.526 68 1HG LYS 10 HG2 LYS 10 140.567 6.924 -7.574 69 2HG LYS 10 HG1 LYS 10 141.225 5.306 -7.316 70 1HD LYS 10 HD2 LYS 10 139.578 6.162 -9.678 71 2HD LYS 10 HD1 LYS 10 141.340 5.996 -9.665 72 1HE LYS 10 HE2 LYS 10 141.105 3.688 -8.979 73 2HE LYS 10 HE1 LYS 10 139.369 3.829 -9.035 74 1HZ LYS 10 HZ1 LYS 10 139.454 4.262 -11.438 75 2HZ LYS 10 HZ2 LYS 10 140.289 2.816 -11.121 76 3HZ LYS 10 HZ3 LYS 10 141.147 4.227 -11.387 77 H TRP 11 HN TRP 11 136.571 6.524 -5.287 78 HA TRP 11 HA TRP 11 134.736 4.396 -5.789 79 1HB TRP 11 HB2 TRP 11 134.630 6.668 -3.806 80 2HB TRP 11 HB1 TRP 11 133.509 5.324 -3.789 81 HD1 TRP 11 HD1 TRP 11 136.445 3.535 -4.549 82 HE1 TRP 11 HE1 TRP 11 137.757 2.781 -2.515 83 HE3 TRP 11 HE3 TRP 11 134.247 6.563 -1.095 84 HZ2 TRP 11 HZ2 TRP 11 137.793 3.359 0.285 85 HZ3 TRP 11 HZ3 TRP 11 134.951 6.372 1.262 86 HH2 TRP 11 HH2 TRP 11 136.693 4.813 1.922 87 H GLY 12 HN GLY 12 134.939 7.682 -6.673 88 1HA GLY 12 HA2 GLY 12 132.092 8.094 -6.994 89 2HA GLY 12 HA1 GLY 12 133.369 9.245 -7.349 90 H GLU 13 HN GLU 13 134.123 6.321 -8.713 91 HA GLU 13 HA GLU 13 132.737 6.991 -11.206 92 1HB GLU 13 HB2 GLU 13 134.722 6.140 -12.446 93 2HB GLU 13 HB1 GLU 13 135.057 7.578 -11.495 94 1HG GLU 13 HG2 GLU 13 136.009 6.086 -9.731 95 2HG GLU 13 HG1 GLU 13 135.817 4.740 -10.852 96 H SER 14 HN SER 14 133.001 4.758 -8.779 97 HA SER 14 HA SER 14 131.588 2.768 -10.282 98 1HB SER 14 HB2 SER 14 134.304 2.077 -9.107 99 2HB SER 14 HB1 SER 14 133.151 0.911 -9.750 100 HG SER 14 HG SER 14 133.560 2.859 -11.520 101 H PHE 15 HN PHE 15 129.889 2.659 -8.885 102 HA PHE 15 HA PHE 15 130.004 2.905 -6.090 103 1HB PHE 15 HB2 PHE 15 127.888 3.192 -7.297 104 2HB PHE 15 HB1 PHE 15 127.929 1.511 -7.812 105 HD1 PHE 15 HD1 PHE 15 128.217 3.315 -4.535 106 HD2 PHE 15 HD2 PHE 15 126.362 0.200 -6.757 107 HE1 PHE 15 HE1 PHE 15 126.887 2.677 -2.548 108 HE2 PHE 15 HE2 PHE 15 125.040 -0.421 -4.756 109 HZ PHE 15 HZ PHE 15 125.309 0.824 -2.680 110 H ASP 16 HN ASP 16 130.360 0.134 -8.199 111 HA ASP 16 HA ASP 16 130.179 -1.861 -6.217 112 1HB ASP 16 HB2 ASP 16 130.086 -2.381 -8.616 113 2HB ASP 16 HB1 ASP 16 131.780 -1.927 -8.782 114 H LYS 17 HN LYS 17 132.852 0.137 -7.303 115 HA LYS 17 HA LYS 17 134.901 -1.273 -5.922 116 1HB LYS 17 HB2 LYS 17 135.548 0.254 -7.686 117 2HB LYS 17 HB1 LYS 17 134.740 1.581 -6.855 118 1HG LYS 17 HG2 LYS 17 136.270 1.540 -5.095 119 2HG LYS 17 HG1 LYS 17 137.112 0.124 -5.746 120 1HD LYS 17 HD2 LYS 17 137.755 1.444 -7.709 121 2HD LYS 17 HD1 LYS 17 136.862 2.828 -7.063 122 1HE LYS 17 HE2 LYS 17 139.209 3.088 -6.610 123 2HE LYS 17 HE1 LYS 17 138.315 2.865 -5.115 124 1HZ LYS 17 HZ1 LYS 17 139.056 0.465 -5.201 125 2HZ LYS 17 HZ2 LYS 17 140.190 1.626 -4.919 126 3HZ LYS 17 HZ3 LYS 17 140.119 0.932 -6.461 127 H LEU 18 HN LEU 18 132.960 1.519 -5.220 128 HA LEU 18 HA LEU 18 133.921 2.329 -2.753 129 1HB LEU 18 HB2 LEU 18 132.381 3.657 -3.936 130 2HB LEU 18 HB1 LEU 18 131.238 2.343 -4.080 131 HG LEU 18 HG LEU 18 130.802 2.513 -1.639 132 1HD1 LEU 18 HD11 LEU 18 132.475 5.007 -1.885 133 2HD1 LEU 18 HD12 LEU 18 132.887 3.565 -0.956 134 3HD1 LEU 18 HD13 LEU 18 131.502 4.553 -0.488 135 1HD2 LEU 18 HD21 LEU 18 129.473 4.534 -1.824 136 2HD2 LEU 18 HD22 LEU 18 129.387 3.522 -3.280 137 3HD2 LEU 18 HD23 LEU 18 130.392 4.973 -3.274 138 H LEU 19 HN LEU 19 131.326 0.183 -3.586 139 HA LEU 19 HA LEU 19 130.492 -0.422 -0.987 140 1HB LEU 19 HB2 LEU 19 129.375 -0.456 -3.291 141 2HB LEU 19 HB1 LEU 19 130.010 -2.081 -3.389 142 HG LEU 19 HG LEU 19 128.744 -2.705 -1.412 143 1HD1 LEU 19 HD11 LEU 19 128.805 -0.463 -0.335 144 2HD1 LEU 19 HD12 LEU 19 127.160 -1.084 -0.438 145 3HD1 LEU 19 HD13 LEU 19 127.725 0.147 -1.577 146 1HD2 LEU 19 HD21 LEU 19 127.195 -1.260 -3.532 147 2HD2 LEU 19 HD22 LEU 19 126.560 -2.535 -2.484 148 3HD2 LEU 19 HD23 LEU 19 127.835 -2.891 -3.661 149 H SER 20 HN SER 20 132.670 -2.036 -3.244 150 HA SER 20 HA SER 20 132.872 -4.357 -1.576 151 1HB SER 20 HB2 SER 20 134.526 -3.527 -3.963 152 2HB SER 20 HB1 SER 20 134.547 -5.119 -3.197 153 HG SER 20 HG SER 20 132.565 -3.873 -4.723 154 H HIS 21 HN HIS 21 134.407 -1.301 -1.705 155 HA HIS 21 HA HIS 21 136.893 -2.165 -0.492 156 1HB HIS 21 HB2 HIS 21 136.447 0.034 -1.993 157 2HB HIS 21 HB1 HIS 21 135.909 0.680 -0.460 158 HD1 HIS 21 HD1 HIS 21 137.706 1.697 0.985 159 HD2 HIS 21 HD2 HIS 21 139.213 -0.815 -1.948 160 HE1 HIS 21 HE1 HIS 21 140.168 1.911 1.141 161 HE2 HIS 21 HE2 HIS 21 141.070 0.581 -0.737 162 H ARG 22 HN ARG 22 137.144 -2.361 1.672 163 HA ARG 22 HA ARG 22 134.869 -2.422 3.330 164 1HB ARG 22 HB2 ARG 22 137.804 -2.577 3.925 165 2HB ARG 22 HB1 ARG 22 136.667 -2.418 5.249 166 1HG ARG 22 HG2 ARG 22 137.295 -4.748 4.859 167 2HG ARG 22 HG1 ARG 22 135.574 -4.486 4.607 168 1HD ARG 22 HD2 ARG 22 135.960 -4.434 2.179 169 2HD ARG 22 HD1 ARG 22 137.679 -4.713 2.452 170 HE ARG 22 HE ARG 22 136.882 -6.806 3.618 171 1HH1 ARG 22 HH11 ARG 22 135.154 -5.402 0.845 172 2HH1 ARG 22 HH12 ARG 22 134.522 -6.882 0.307 173 1HH2 ARG 22 HH21 ARG 22 136.088 -8.858 2.815 174 2HH2 ARG 22 HH22 ARG 22 135.060 -8.900 1.451 175 H ASP 23 HN ASP 23 137.332 0.022 3.040 176 HA ASP 23 HA ASP 23 136.209 1.792 4.977 177 1HB ASP 23 HB2 ASP 23 138.000 2.459 2.628 178 2HB ASP 23 HB1 ASP 23 137.561 3.590 3.899 179 H GLY 24 HN GLY 24 135.326 1.094 1.723 180 1HA GLY 24 HA2 GLY 24 134.011 3.663 1.351 181 2HA GLY 24 HA1 GLY 24 134.076 2.374 0.172 182 H LEU 25 HN LEU 25 133.160 0.274 1.547 183 HA LEU 25 HA LEU 25 130.417 0.541 1.638 184 1HB LEU 25 HB2 LEU 25 130.866 -1.671 1.570 185 2HB LEU 25 HB1 LEU 25 132.414 -1.468 2.344 186 HG LEU 25 HG LEU 25 129.908 -1.501 4.023 187 1HD1 LEU 25 HD11 LEU 25 131.464 -3.902 3.022 188 2HD1 LEU 25 HD12 LEU 25 129.823 -3.480 2.533 189 3HD1 LEU 25 HD13 LEU 25 130.155 -3.934 4.204 190 1HD2 LEU 25 HD21 LEU 25 132.758 -2.406 4.451 191 2HD2 LEU 25 HD22 LEU 25 131.486 -2.450 5.672 192 3HD2 LEU 25 HD23 LEU 25 132.091 -0.902 5.075 193 H GLU 26 HN GLU 26 132.830 1.079 4.024 194 HA GLU 26 HA GLU 26 131.122 1.434 6.234 195 1HB GLU 26 HB2 GLU 26 133.461 0.825 6.268 196 2HB GLU 26 HB1 GLU 26 133.917 2.445 5.746 197 1HG GLU 26 HG2 GLU 26 134.235 2.284 8.119 198 2HG GLU 26 HG1 GLU 26 132.852 3.335 7.817 199 H ALA 27 HN ALA 27 132.588 3.686 3.809 200 HA ALA 27 HA ALA 27 131.630 6.034 5.120 201 1HB ALA 27 HB1 ALA 27 132.463 5.570 2.226 202 2HB ALA 27 HB2 ALA 27 133.413 6.389 3.477 203 3HB ALA 27 HB3 ALA 27 131.928 7.110 2.858 204 H PHE 28 HN PHE 28 130.394 3.924 2.662 205 HA PHE 28 HA PHE 28 128.115 5.501 2.038 206 1HB PHE 28 HB2 PHE 28 129.111 3.836 0.456 207 2HB PHE 28 HB1 PHE 28 128.504 2.551 1.492 208 HD1 PHE 28 HD1 PHE 28 126.274 1.809 1.297 209 HD2 PHE 28 HD2 PHE 28 127.497 5.400 -0.625 210 HE1 PHE 28 HE1 PHE 28 124.132 1.897 0.095 211 HE2 PHE 28 HE2 PHE 28 125.363 5.493 -1.827 212 HZ PHE 28 HZ PHE 28 123.678 3.746 -1.471 213 H THR 29 HN THR 29 128.680 2.709 4.178 214 HA THR 29 HA THR 29 125.956 2.459 4.774 215 HB THR 29 HB THR 29 127.606 0.578 5.222 216 HG1 THR 29 HG1 THR 29 125.519 1.391 6.724 217 1HG2 THR 29 HG21 THR 29 129.362 1.871 6.372 218 2HG2 THR 29 HG22 THR 29 128.780 0.556 7.390 219 3HG2 THR 29 HG23 THR 29 128.248 2.210 7.694 220 H ARG 30 HN ARG 30 128.423 4.554 6.049 221 HA ARG 30 HA ARG 30 127.024 5.377 8.365 222 1HB ARG 30 HB2 ARG 30 129.046 6.800 6.644 223 2HB ARG 30 HB1 ARG 30 128.392 7.492 8.122 224 1HG ARG 30 HG2 ARG 30 129.291 5.644 9.406 225 2HG ARG 30 HG1 ARG 30 129.854 4.890 7.929 226 1HD ARG 30 HD2 ARG 30 131.644 6.084 9.140 227 2HD ARG 30 HD1 ARG 30 131.394 6.637 7.491 228 HE ARG 30 HE ARG 30 129.900 8.296 9.183 229 1HH1 ARG 30 HH11 ARG 30 133.294 7.443 8.721 230 2HH1 ARG 30 HH12 ARG 30 133.893 9.020 8.958 231 1HH2 ARG 30 HH21 ARG 30 130.738 10.534 9.549 232 2HH2 ARG 30 HH22 ARG 30 132.404 10.806 9.375 233 H PHE 31 HN PHE 31 127.116 6.655 5.091 234 HA PHE 31 HA PHE 31 125.257 8.736 5.436 235 1HB PHE 31 HB2 PHE 31 126.758 8.582 3.496 236 2HB PHE 31 HB1 PHE 31 125.952 7.113 2.970 237 HD1 PHE 31 HD1 PHE 31 125.504 10.743 3.474 238 HD2 PHE 31 HD2 PHE 31 124.024 7.212 1.622 239 HE1 PHE 31 HE1 PHE 31 123.966 12.099 2.123 240 HE2 PHE 31 HE2 PHE 31 122.481 8.564 0.272 241 HZ PHE 31 HZ PHE 31 122.454 11.010 0.520 242 H LEU 32 HN LEU 32 124.900 5.361 4.813 243 HA LEU 32 HA LEU 32 122.101 5.458 4.215 244 1HB LEU 32 HB2 LEU 32 123.937 3.804 3.458 245 2HB LEU 32 HB1 LEU 32 123.682 3.041 5.008 246 HG LEU 32 HG LEU 32 121.373 2.547 4.396 247 1HD1 LEU 32 HD11 LEU 32 120.597 2.972 2.111 248 2HD1 LEU 32 HD12 LEU 32 122.097 3.823 1.752 249 3HD1 LEU 32 HD13 LEU 32 120.972 4.485 2.936 250 1HD2 LEU 32 HD21 LEU 32 123.122 0.949 3.885 251 2HD2 LEU 32 HD22 LEU 32 123.434 1.757 2.354 252 3HD2 LEU 32 HD23 LEU 32 121.892 0.933 2.618 253 H LYS 33 HN LYS 33 124.080 4.864 7.052 254 HA LYS 33 HA LYS 33 122.045 3.878 8.791 255 1HB LYS 33 HB2 LYS 33 124.788 5.011 9.297 256 2HB LYS 33 HB1 LYS 33 123.717 4.578 10.611 257 1HG LYS 33 HG2 LYS 33 123.749 2.270 9.941 258 2HG LYS 33 HG1 LYS 33 124.658 2.671 8.481 259 1HD LYS 33 HD2 LYS 33 126.557 3.365 9.790 260 2HD LYS 33 HD1 LYS 33 125.652 3.159 11.289 261 1HE LYS 33 HE2 LYS 33 126.286 0.927 9.357 262 2HE LYS 33 HE1 LYS 33 127.252 1.308 10.781 263 1HZ LYS 33 HZ1 LYS 33 124.381 0.469 10.815 264 2HZ LYS 33 HZ2 LYS 33 125.294 0.904 12.147 265 3HZ LYS 33 HZ3 LYS 33 125.698 -0.478 11.282 266 H THR 34 HN THR 34 123.428 7.064 8.199 267 HA THR 34 HA THR 34 122.405 8.309 10.444 268 HB THR 34 HB THR 34 124.237 9.263 9.097 269 HG1 THR 34 HG1 THR 34 122.935 10.586 10.482 270 1HG2 THR 34 HG21 THR 34 123.767 10.549 7.070 271 2HG2 THR 34 HG22 THR 34 122.087 10.020 7.127 272 3HG2 THR 34 HG23 THR 34 123.376 8.843 6.861 273 H GLU 35 HN GLU 35 120.735 7.668 7.423 274 HA GLU 35 HA GLU 35 118.439 9.161 8.486 275 1HB GLU 35 HB2 GLU 35 117.531 9.130 6.194 276 2HB GLU 35 HB1 GLU 35 119.076 9.952 6.310 277 1HG GLU 35 HG2 GLU 35 120.194 7.993 5.392 278 2HG GLU 35 HG1 GLU 35 118.640 7.160 5.281 279 H PHE 36 HN PHE 36 119.527 6.302 8.812 280 HA PHE 36 HA PHE 36 118.802 4.247 9.211 281 1HB PHE 36 HB2 PHE 36 116.139 5.619 9.610 282 2HB PHE 36 HB1 PHE 36 116.488 3.962 10.083 283 HD1 PHE 36 HD1 PHE 36 117.069 7.495 10.824 284 HD2 PHE 36 HD2 PHE 36 117.894 3.490 11.989 285 HE1 PHE 36 HE1 PHE 36 117.896 8.304 12.994 286 HE2 PHE 36 HE2 PHE 36 118.722 4.292 14.164 287 HZ PHE 36 HZ PHE 36 118.724 6.702 14.667 288 H SER 37 HN SER 37 119.316 3.899 6.929 289 HA SER 37 HA SER 37 117.164 2.302 5.820 290 1HB SER 37 HB2 SER 37 118.751 4.313 4.186 291 2HB SER 37 HB1 SER 37 117.589 3.151 3.537 292 HG SER 37 HG SER 37 116.505 4.517 5.538 293 H GLU 38 HN GLU 38 119.537 1.885 7.341 294 HA GLU 38 HA GLU 38 121.755 1.232 5.639 295 1HB GLU 38 HB2 GLU 38 122.846 0.499 7.689 296 2HB GLU 38 HB1 GLU 38 122.101 2.079 7.898 297 1HG GLU 38 HG2 GLU 38 120.174 0.978 8.978 298 2HG GLU 38 HG1 GLU 38 121.030 -0.555 8.858 299 H GLU 39 HN GLU 39 118.925 -0.397 6.525 300 HA GLU 39 HA GLU 39 120.129 -2.984 6.605 301 1HB GLU 39 HB2 GLU 39 117.825 -3.921 6.754 302 2HB GLU 39 HB1 GLU 39 118.227 -2.784 8.021 303 1HG GLU 39 HG2 GLU 39 116.609 -2.052 5.594 304 2HG GLU 39 HG1 GLU 39 115.900 -2.657 7.088 305 H ASN 40 HN ASN 40 119.597 -1.043 4.118 306 HA ASN 40 HA ASN 40 118.878 -3.100 2.211 307 1HB ASN 40 HB2 ASN 40 119.960 -0.291 1.810 308 2HB ASN 40 HB1 ASN 40 119.540 -1.369 0.486 309 1HD2 ASN 40 HD21 ASN 40 118.425 1.222 1.175 310 2HD2 ASN 40 HD22 ASN 40 116.742 0.970 1.456 311 H ILE 41 HN ILE 41 121.796 -1.313 3.105 312 HA ILE 41 HA ILE 41 123.505 -2.844 1.466 313 HB ILE 41 HB ILE 41 123.936 -0.535 2.827 314 1HG1 ILE 41 HG12 ILE 41 126.112 -2.522 2.033 315 2HG1 ILE 41 HG11 ILE 41 125.319 -1.340 1.031 316 1HG2 ILE 41 HG21 ILE 41 125.204 -2.603 4.656 317 2HG2 ILE 41 HG22 ILE 41 123.955 -1.442 5.068 318 3HG2 ILE 41 HG23 ILE 41 125.578 -0.878 4.670 319 1HD1 ILE 41 HD11 ILE 41 127.091 -0.682 3.368 320 2HD1 ILE 41 HD12 ILE 41 126.274 0.470 2.307 321 3HD1 ILE 41 HD13 ILE 41 127.519 -0.595 1.652 322 H GLU 42 HN GLU 42 122.326 -3.129 4.760 323 HA GLU 42 HA GLU 42 123.816 -5.452 4.973 324 1HB GLU 42 HB2 GLU 42 122.259 -3.969 6.984 325 2HB GLU 42 HB1 GLU 42 122.571 -5.675 7.296 326 1HG GLU 42 HG2 GLU 42 124.937 -5.323 7.001 327 2HG GLU 42 HG1 GLU 42 124.747 -3.665 6.648 328 H PHE 43 HN PHE 43 120.940 -4.865 3.614 329 HA PHE 43 HA PHE 43 119.481 -7.210 4.038 330 1HB PHE 43 HB2 PHE 43 118.461 -5.471 2.737 331 2HB PHE 43 HB1 PHE 43 119.815 -5.413 1.625 332 HD1 PHE 43 HD1 PHE 43 116.772 -7.146 2.555 333 HD2 PHE 43 HD2 PHE 43 120.004 -7.016 -0.174 334 HE1 PHE 43 HE1 PHE 43 115.543 -8.598 1.050 335 HE2 PHE 43 HE2 PHE 43 118.795 -8.515 -1.705 336 HZ PHE 43 HZ PHE 43 116.553 -9.313 -1.096 337 H TRP 44 HN TRP 44 121.819 -6.378 1.500 338 HA TRP 44 HA TRP 44 121.953 -9.191 1.090 339 1HB TRP 44 HB2 TRP 44 123.696 -8.783 -0.727 340 2HB TRP 44 HB1 TRP 44 122.050 -8.257 -0.996 341 HD1 TRP 44 HD1 TRP 44 121.845 -5.965 -1.990 342 HE1 TRP 44 HE1 TRP 44 123.339 -3.918 -2.225 343 HE3 TRP 44 HE3 TRP 44 125.786 -7.545 0.850 344 HZ2 TRP 44 HZ2 TRP 44 125.861 -3.051 -1.261 345 HZ3 TRP 44 HZ3 TRP 44 127.700 -6.038 1.149 346 HH2 TRP 44 HH2 TRP 44 127.734 -3.837 0.110 347 H ILE 45 HN ILE 45 123.823 -7.121 2.942 348 HA ILE 45 HA ILE 45 126.013 -8.844 3.299 349 HB ILE 45 HB ILE 45 124.706 -6.809 5.074 350 1HG1 ILE 45 HG12 ILE 45 127.423 -6.899 3.769 351 2HG1 ILE 45 HG11 ILE 45 126.036 -5.969 3.226 352 1HG2 ILE 45 HG21 ILE 45 125.470 -8.475 6.631 353 2HG2 ILE 45 HG22 ILE 45 126.251 -6.905 6.759 354 3HG2 ILE 45 HG23 ILE 45 127.141 -8.264 6.028 355 1HD1 ILE 45 HD11 ILE 45 126.172 -4.606 5.256 356 2HD1 ILE 45 HD12 ILE 45 127.676 -4.563 4.335 357 3HD1 ILE 45 HD13 ILE 45 127.561 -5.552 5.791 358 H ALA 46 HN ALA 46 122.765 -8.849 4.693 359 HA ALA 46 HA ALA 46 123.135 -11.023 6.439 360 1HB ALA 46 HB1 ALA 46 120.619 -10.158 4.978 361 2HB ALA 46 HB2 ALA 46 121.097 -9.662 6.610 362 3HB ALA 46 HB3 ALA 46 120.682 -11.348 6.256 363 H CYS 47 HN CYS 47 122.177 -10.770 3.078 364 HA CYS 47 HA CYS 47 121.578 -13.460 2.580 365 1HB CYS 47 HB2 CYS 47 122.599 -11.380 0.643 366 2HB CYS 47 HB1 CYS 47 121.751 -12.866 0.223 367 HG CYS 47 HG CYS 47 120.363 -10.287 2.026 368 H GLU 48 HN GLU 48 124.601 -11.639 2.074 369 HA GLU 48 HA GLU 48 125.960 -13.945 1.142 370 1HB GLU 48 HB2 GLU 48 127.101 -11.310 2.102 371 2HB GLU 48 HB1 GLU 48 127.983 -12.539 1.206 372 1HG GLU 48 HG2 GLU 48 125.602 -10.987 0.173 373 2HG GLU 48 HG1 GLU 48 127.283 -10.664 -0.223 374 H ASP 49 HN ASP 49 125.388 -12.612 4.278 375 HA ASP 49 HA ASP 49 127.332 -14.096 5.762 376 1HB ASP 49 HB2 ASP 49 126.172 -12.267 6.857 377 2HB ASP 49 HB1 ASP 49 124.611 -13.015 6.553 378 H PHE 50 HN PHE 50 124.150 -14.684 4.653 379 HA PHE 50 HA PHE 50 123.798 -17.237 5.813 380 1HB PHE 50 HB2 PHE 50 121.783 -16.253 5.431 381 2HB PHE 50 HB1 PHE 50 122.376 -15.341 4.068 382 HD1 PHE 50 HD1 PHE 50 121.122 -15.622 2.285 383 HD2 PHE 50 HD2 PHE 50 121.851 -18.975 4.763 384 HE1 PHE 50 HE1 PHE 50 119.794 -17.019 0.770 385 HE2 PHE 50 HE2 PHE 50 120.541 -20.375 3.229 386 HZ PHE 50 HZ PHE 50 119.504 -19.392 1.262 387 H LYS 51 HN LYS 51 124.800 -16.049 2.702 388 HA LYS 51 HA LYS 51 125.306 -18.341 1.217 389 1HB LYS 51 HB2 LYS 51 125.451 -16.095 0.370 390 2HB LYS 51 HB1 LYS 51 126.758 -15.717 1.460 391 1HG LYS 51 HG2 LYS 51 128.124 -17.420 0.153 392 2HG LYS 51 HG1 LYS 51 126.815 -17.364 -1.044 393 1HD LYS 51 HD2 LYS 51 127.015 -14.921 -1.127 394 2HD LYS 51 HD1 LYS 51 128.346 -14.999 0.014 395 1HE LYS 51 HE2 LYS 51 129.617 -16.320 -1.645 396 2HE LYS 51 HE1 LYS 51 128.284 -16.101 -2.785 397 1HZ LYS 51 HZ1 LYS 51 128.587 -13.652 -2.458 398 2HZ LYS 51 HZ2 LYS 51 129.896 -14.422 -3.226 399 3HZ LYS 51 HZ3 LYS 51 130.004 -13.988 -1.604 400 H LYS 52 HN LYS 52 127.087 -16.953 3.885 401 HA LYS 52 HA LYS 52 129.470 -18.500 3.649 402 1HB LYS 52 HB2 LYS 52 128.299 -17.097 6.053 403 2HB LYS 52 HB1 LYS 52 129.918 -17.810 5.986 404 1HG LYS 52 HG2 LYS 52 130.573 -16.233 4.294 405 2HG LYS 52 HG1 LYS 52 128.936 -15.588 4.212 406 1HD LYS 52 HD2 LYS 52 130.390 -14.120 5.528 407 2HD LYS 52 HD1 LYS 52 129.115 -14.813 6.530 408 1HE LYS 52 HE2 LYS 52 130.697 -16.474 7.387 409 2HE LYS 52 HE1 LYS 52 131.962 -15.802 6.362 410 1HZ LYS 52 HZ1 LYS 52 130.591 -14.343 8.583 411 2HZ LYS 52 HZ2 LYS 52 131.799 -13.714 7.601 412 3HZ LYS 52 HZ3 LYS 52 132.144 -15.006 8.618 413 H SER 53 HN SER 53 126.339 -19.434 4.659 414 HA SER 53 HA SER 53 127.254 -21.426 6.548 415 1HB SER 53 HB2 SER 53 125.075 -20.259 6.876 416 2HB SER 53 HB1 SER 53 124.489 -20.978 5.375 417 HG SER 53 HG SER 53 124.964 -22.116 7.870 418 H LYS 54 HN LYS 54 126.915 -23.718 6.166 419 HA LYS 54 HA LYS 54 126.756 -24.336 3.315 420 1HB LYS 54 HB2 LYS 54 128.437 -26.115 3.603 421 2HB LYS 54 HB1 LYS 54 129.087 -24.538 3.979 422 1HG LYS 54 HG2 LYS 54 130.009 -25.972 5.593 423 2HG LYS 54 HG1 LYS 54 128.700 -25.155 6.440 424 1HD LYS 54 HD2 LYS 54 127.273 -27.097 6.171 425 2HD LYS 54 HD1 LYS 54 128.499 -27.898 5.191 426 1HE LYS 54 HE2 LYS 54 130.014 -27.883 7.136 427 2HE LYS 54 HE1 LYS 54 128.733 -27.148 8.100 428 1HZ LYS 54 HZ1 LYS 54 127.393 -29.096 7.839 429 2HZ LYS 54 HZ2 LYS 54 128.933 -29.636 8.307 430 3HZ LYS 54 HZ3 LYS 54 128.463 -29.740 6.706 431 H GLY 55 HN GLY 55 125.170 -24.532 6.050 432 1HA GLY 55 HA2 GLY 55 124.453 -27.362 5.888 433 2HA GLY 55 HA1 GLY 55 124.028 -26.254 7.193 434 HA PRO 56 HA PRO 56 121.225 -25.964 3.195 435 1HB PRO 56 HB2 PRO 56 120.170 -28.721 3.517 436 2HB PRO 56 HB1 PRO 56 120.611 -27.811 2.058 437 1HG PRO 56 HG2 PRO 56 122.167 -29.790 2.986 438 2HG PRO 56 HG1 PRO 56 122.835 -28.343 2.211 439 1HD PRO 56 HD2 PRO 56 122.671 -29.036 5.114 440 2HD PRO 56 HD1 PRO 56 123.984 -28.245 4.221 441 H GLN 57 HN GLN 57 120.528 -27.737 6.189 442 HA GLN 57 HA GLN 57 117.818 -26.915 6.267 443 1HB GLN 57 HB2 GLN 57 117.788 -27.585 8.646 444 2HB GLN 57 HB1 GLN 57 118.514 -28.829 7.643 445 1HG GLN 57 HG2 GLN 57 119.878 -28.819 9.503 446 2HG GLN 57 HG1 GLN 57 120.758 -27.758 8.413 447 1HE2 GLN 57 HE21 GLN 57 121.781 -26.651 10.003 448 2HE2 GLN 57 HE22 GLN 57 120.998 -25.579 11.108 449 H GLN 58 HN GLN 58 120.771 -25.438 7.367 450 HA GLN 58 HA GLN 58 119.593 -23.309 8.846 451 1HB GLN 58 HB2 GLN 58 121.906 -24.064 9.227 452 2HB GLN 58 HB1 GLN 58 122.336 -23.590 7.595 453 1HG GLN 58 HG2 GLN 58 123.165 -21.965 9.162 454 2HG GLN 58 HG1 GLN 58 121.895 -21.243 8.184 455 1HE2 GLN 58 HE21 GLN 58 122.754 -22.445 11.311 456 2HE2 GLN 58 HE22 GLN 58 121.485 -21.647 12.184 457 H ILE 59 HN ILE 59 120.449 -23.919 5.566 458 HA ILE 59 HA ILE 59 120.320 -21.363 4.464 459 HB ILE 59 HB ILE 59 119.351 -23.932 3.192 460 1HG1 ILE 59 HG12 ILE 59 121.616 -24.275 3.856 461 2HG1 ILE 59 HG11 ILE 59 121.616 -24.012 2.118 462 1HG2 ILE 59 HG21 ILE 59 120.183 -21.372 1.852 463 2HG2 ILE 59 HG22 ILE 59 118.557 -21.972 2.021 464 3HG2 ILE 59 HG23 ILE 59 119.716 -22.864 1.025 465 1HD1 ILE 59 HD11 ILE 59 122.452 -21.760 2.467 466 2HD1 ILE 59 HD12 ILE 59 123.471 -22.976 3.278 467 3HD1 ILE 59 HD13 ILE 59 122.351 -21.999 4.219 468 H HIS 60 HN HIS 60 117.818 -23.751 5.019 469 HA HIS 60 HA HIS 60 115.593 -22.335 4.003 470 1HB HIS 60 HB2 HIS 60 115.743 -24.415 6.187 471 2HB HIS 60 HB1 HIS 60 114.221 -23.691 5.689 472 HD1 HIS 60 HD1 HIS 60 113.029 -24.965 3.987 473 HD2 HIS 60 HD2 HIS 60 117.091 -25.664 3.930 474 HE1 HIS 60 HE1 HIS 60 113.366 -26.667 2.158 475 HE2 HIS 60 HE2 HIS 60 115.856 -26.680 1.870 476 H LEU 61 HN LEU 61 116.982 -22.445 7.172 477 HA LEU 61 HA LEU 61 115.083 -20.886 8.530 478 1HB LEU 61 HB2 LEU 61 117.983 -21.004 9.201 479 2HB LEU 61 HB1 LEU 61 116.614 -20.854 10.282 480 HG LEU 61 HG LEU 61 117.422 -23.293 8.746 481 1HD1 LEU 61 HD11 LEU 61 118.028 -24.185 10.889 482 2HD1 LEU 61 HD12 LEU 61 117.558 -22.644 11.651 483 3HD1 LEU 61 HD13 LEU 61 118.880 -22.687 10.472 484 1HD2 LEU 61 HD21 LEU 61 115.167 -22.928 10.724 485 2HD2 LEU 61 HD22 LEU 61 115.710 -24.463 10.007 486 3HD2 LEU 61 HD23 LEU 61 115.034 -23.205 8.980 487 H LYS 62 HN LYS 62 118.396 -20.070 7.650 488 HA LYS 62 HA LYS 62 118.090 -17.328 8.070 489 1HB LYS 62 HB2 LYS 62 120.181 -18.783 6.495 490 2HB LYS 62 HB1 LYS 62 120.153 -17.028 6.555 491 1HG LYS 62 HG2 LYS 62 120.216 -17.226 9.063 492 2HG LYS 62 HG1 LYS 62 120.522 -18.949 8.837 493 1HD LYS 62 HD2 LYS 62 122.560 -18.495 7.649 494 2HD LYS 62 HD1 LYS 62 122.213 -16.763 7.624 495 1HE LYS 62 HE2 LYS 62 122.326 -16.758 10.101 496 2HE LYS 62 HE1 LYS 62 122.782 -18.458 10.053 497 1HZ LYS 62 HZ1 LYS 62 124.691 -17.016 10.298 498 2HZ LYS 62 HZ2 LYS 62 124.371 -16.208 8.875 499 3HZ LYS 62 HZ3 LYS 62 124.790 -17.871 8.869 500 H ALA 63 HN ALA 63 117.581 -19.052 4.994 501 HA ALA 63 HA ALA 63 117.252 -16.706 3.471 502 1HB ALA 63 HB1 ALA 63 117.486 -18.984 2.419 503 2HB ALA 63 HB2 ALA 63 116.114 -18.072 1.793 504 3HB ALA 63 HB3 ALA 63 115.851 -19.339 2.978 505 H LYS 64 HN LYS 64 114.829 -18.743 5.067 506 HA LYS 64 HA LYS 64 112.695 -17.035 4.395 507 1HB LYS 64 HB2 LYS 64 113.029 -19.220 6.365 508 2HB LYS 64 HB1 LYS 64 111.540 -18.278 6.328 509 1HG LYS 64 HG2 LYS 64 111.113 -18.904 4.054 510 2HG LYS 64 HG1 LYS 64 112.688 -19.688 3.930 511 1HD LYS 64 HD2 LYS 64 112.053 -21.411 5.365 512 2HD LYS 64 HD1 LYS 64 110.603 -20.552 5.907 513 1HE LYS 64 HE2 LYS 64 111.050 -21.449 3.061 514 2HE LYS 64 HE1 LYS 64 110.227 -22.445 4.262 515 1HZ LYS 64 HZ1 LYS 64 109.359 -19.695 3.562 516 2HZ LYS 64 HZ2 LYS 64 108.544 -20.790 4.501 517 3HZ LYS 64 HZ3 LYS 64 108.699 -21.069 2.839 518 H ALA 65 HN ALA 65 114.894 -16.986 7.023 519 HA ALA 65 HA ALA 65 113.528 -15.128 8.662 520 1HB ALA 65 HB1 ALA 65 115.490 -16.375 9.452 521 2HB ALA 65 HB2 ALA 65 115.713 -14.637 9.661 522 3HB ALA 65 HB3 ALA 65 116.511 -15.476 8.329 523 H ILE 66 HN ILE 66 115.972 -14.644 6.149 524 HA ILE 66 HA ILE 66 115.887 -11.802 6.199 525 HB ILE 66 HB ILE 66 116.868 -13.740 4.074 526 1HG1 ILE 66 HG12 ILE 66 118.385 -12.130 6.129 527 2HG1 ILE 66 HG11 ILE 66 117.996 -13.840 6.265 528 1HG2 ILE 66 HG21 ILE 66 118.175 -11.839 3.187 529 2HG2 ILE 66 HG22 ILE 66 117.290 -10.751 4.251 530 3HG2 ILE 66 HG23 ILE 66 116.432 -11.662 2.973 531 1HD1 ILE 66 HD11 ILE 66 119.405 -14.353 4.383 532 2HD1 ILE 66 HD12 ILE 66 120.308 -13.341 5.544 533 3HD1 ILE 66 HD13 ILE 66 119.655 -12.632 4.085 534 H TYR 67 HN TYR 67 114.292 -14.258 4.340 535 HA TYR 67 HA TYR 67 112.878 -12.805 2.446 536 1HB TYR 67 HB2 TYR 67 113.012 -15.226 2.496 537 2HB TYR 67 HB1 TYR 67 112.127 -15.263 4.011 538 HD1 TYR 67 HD1 TYR 67 109.912 -15.713 3.945 539 HD2 TYR 67 HD2 TYR 67 111.766 -14.054 0.528 540 HE1 TYR 67 HE1 TYR 67 107.816 -15.954 2.718 541 HE2 TYR 67 HE2 TYR 67 109.727 -14.239 -0.725 542 HH TYR 67 HH TYR 67 106.674 -15.157 0.839 543 H GLU 68 HN GLU 68 111.637 -13.850 5.650 544 HA GLU 68 HA GLU 68 109.287 -12.318 5.340 545 1HB GLU 68 HB2 GLU 68 110.395 -13.649 7.802 546 2HB GLU 68 HB1 GLU 68 108.800 -12.917 7.687 547 1HG GLU 68 HG2 GLU 68 108.270 -14.483 5.837 548 2HG GLU 68 HG1 GLU 68 109.819 -15.274 6.109 549 H LYS 69 HN LYS 69 112.355 -11.462 6.516 550 HA LYS 69 HA LYS 69 111.355 -9.179 8.010 551 1HB LYS 69 HB2 LYS 69 113.263 -10.399 8.880 552 2HB LYS 69 HB1 LYS 69 114.156 -10.113 7.397 553 1HG LYS 69 HG2 LYS 69 114.196 -7.732 7.873 554 2HG LYS 69 HG1 LYS 69 113.296 -8.001 9.372 555 1HD LYS 69 HD2 LYS 69 115.129 -9.421 10.178 556 2HD LYS 69 HD1 LYS 69 116.010 -9.122 8.680 557 1HE LYS 69 HE2 LYS 69 116.027 -6.717 9.207 558 2HE LYS 69 HE1 LYS 69 115.213 -7.062 10.733 559 1HZ LYS 69 HZ1 LYS 69 117.085 -8.466 11.334 560 2HZ LYS 69 HZ2 LYS 69 117.555 -6.879 11.128 561 3HZ LYS 69 HZ3 LYS 69 117.903 -8.042 9.927 562 H PHE 70 HN PHE 70 112.453 -9.816 4.771 563 HA PHE 70 HA PHE 70 112.845 -6.942 4.348 564 1HB PHE 70 HB2 PHE 70 114.680 -9.163 3.501 565 2HB PHE 70 HB1 PHE 70 114.715 -7.569 2.781 566 HD1 PHE 70 HD1 PHE 70 116.186 -9.634 5.126 567 HD2 PHE 70 HD2 PHE 70 114.902 -5.617 4.607 568 HE1 PHE 70 HE1 PHE 70 117.795 -8.903 6.834 569 HE2 PHE 70 HE2 PHE 70 116.502 -4.879 6.316 570 HZ PHE 70 HZ PHE 70 117.955 -6.520 7.428 571 H ILE 71 HN ILE 71 112.714 -10.045 2.667 572 HA ILE 71 HA ILE 71 112.077 -9.015 0.139 573 HB ILE 71 HB ILE 71 111.573 -11.791 1.279 574 1HG1 ILE 71 HG12 ILE 71 113.887 -11.167 1.431 575 2HG1 ILE 71 HG11 ILE 71 113.688 -12.376 0.169 576 1HG2 ILE 71 HG21 ILE 71 111.907 -11.230 -1.669 577 2HG2 ILE 71 HG22 ILE 71 110.326 -11.208 -0.878 578 3HG2 ILE 71 HG23 ILE 71 111.288 -12.682 -0.845 579 1HD1 ILE 71 HD11 ILE 71 115.243 -10.657 -0.523 580 2HD1 ILE 71 HD12 ILE 71 114.027 -9.413 -0.241 581 3HD1 ILE 71 HD13 ILE 71 113.794 -10.586 -1.526 582 H GLN 72 HN GLN 72 110.218 -9.763 2.894 583 HA GLN 72 HA GLN 72 107.653 -9.924 1.653 584 1HB GLN 72 HB2 GLN 72 108.533 -9.487 4.472 585 2HB GLN 72 HB1 GLN 72 106.833 -9.476 3.984 586 1HG GLN 72 HG2 GLN 72 108.544 -11.595 3.125 587 2HG GLN 72 HG1 GLN 72 108.020 -11.620 4.854 588 1HE2 GLN 72 HE21 GLN 72 107.502 -13.522 2.774 589 2HE2 GLN 72 HE22 GLN 72 105.809 -13.564 2.479 590 H THR 73 HN THR 73 106.139 -8.535 1.640 591 HA THR 73 HA THR 73 106.774 -5.693 1.552 592 HB THR 73 HB THR 73 104.090 -7.081 1.283 593 HG1 THR 73 HG1 THR 73 104.515 -7.084 -0.940 594 1HG2 THR 73 HG21 THR 73 105.156 -4.459 0.270 595 2HG2 THR 73 HG22 THR 73 104.021 -4.693 1.605 596 3HG2 THR 73 HG23 THR 73 103.531 -5.093 -0.051 597 H ASP 74 HN ASP 74 104.632 -7.942 3.128 598 HA ASP 74 HA ASP 74 104.177 -6.242 5.422 599 1HB ASP 74 HB2 ASP 74 102.413 -7.809 4.607 600 2HB ASP 74 HB1 ASP 74 103.473 -9.164 4.975 601 H ALA 75 HN ALA 75 106.353 -5.949 5.942 602 HA ALA 75 HA ALA 75 107.600 -8.149 7.404 603 1HB ALA 75 HB1 ALA 75 109.776 -7.462 6.429 604 2HB ALA 75 HB2 ALA 75 108.924 -6.462 5.249 605 3HB ALA 75 HB3 ALA 75 108.684 -8.219 5.278 606 HA PRO 76 HA PRO 76 108.448 -4.921 10.351 607 1HB PRO 76 HB2 PRO 76 110.917 -5.637 11.264 608 2HB PRO 76 HB1 PRO 76 109.435 -6.483 11.727 609 1HG PRO 76 HG2 PRO 76 111.447 -7.201 9.624 610 2HG PRO 76 HG1 PRO 76 110.677 -8.252 10.833 611 1HD PRO 76 HD2 PRO 76 109.865 -8.169 8.288 612 2HD PRO 76 HD1 PRO 76 108.705 -8.384 9.610 613 H LYS 77 HN LYS 77 110.601 -5.563 7.749 614 HA LYS 77 HA LYS 77 111.682 -2.845 7.968 615 1HB LYS 77 HB2 LYS 77 113.025 -5.346 6.974 616 2HB LYS 77 HB1 LYS 77 113.621 -3.746 6.562 617 1HG LYS 77 HG2 LYS 77 113.284 -4.782 9.366 618 2HG LYS 77 HG1 LYS 77 114.808 -4.759 8.468 619 1HD LYS 77 HD2 LYS 77 114.622 -2.320 8.244 620 2HD LYS 77 HD1 LYS 77 113.120 -2.359 9.161 621 1HE LYS 77 HE2 LYS 77 114.281 -3.165 11.108 622 2HE LYS 77 HE1 LYS 77 115.786 -3.294 10.195 623 1HZ LYS 77 HZ1 LYS 77 114.315 -0.770 10.723 624 2HZ LYS 77 HZ2 LYS 77 115.767 -0.932 9.869 625 3HZ LYS 77 HZ3 LYS 77 115.720 -1.298 11.536 626 H GLU 78 HN GLU 78 111.221 -5.393 5.542 627 HA GLU 78 HA GLU 78 110.312 -5.440 3.518 628 1HB GLU 78 HB2 GLU 78 108.342 -4.309 4.281 629 2HB GLU 78 HB1 GLU 78 109.152 -2.750 4.256 630 1HG GLU 78 HG2 GLU 78 109.372 -3.014 1.772 631 2HG GLU 78 HG1 GLU 78 108.330 -4.428 1.908 632 H VAL 79 HN VAL 79 111.362 -5.247 1.671 633 HA VAL 79 HA VAL 79 113.331 -3.078 1.348 634 HB VAL 79 HB VAL 79 113.066 -5.670 -0.233 635 1HG1 VAL 79 HG11 VAL 79 115.350 -5.275 -0.935 636 2HG1 VAL 79 HG12 VAL 79 115.365 -3.731 -0.077 637 3HG1 VAL 79 HG13 VAL 79 114.289 -3.967 -1.462 638 1HG2 VAL 79 HG21 VAL 79 114.956 -5.034 2.000 639 2HG2 VAL 79 HG22 VAL 79 114.867 -6.548 1.065 640 3HG2 VAL 79 HG23 VAL 79 113.537 -6.070 2.094 641 H ASN 80 HN ASN 80 113.431 -1.920 -0.624 642 HA ASN 80 HA ASN 80 110.911 -1.607 -2.085 643 1HB ASN 80 HB2 ASN 80 113.582 -0.201 -2.467 644 2HB ASN 80 HB1 ASN 80 112.044 0.297 -3.149 645 1HD2 ASN 80 HD21 ASN 80 110.557 -0.204 -0.606 646 2HD2 ASN 80 HD22 ASN 80 111.064 1.058 0.444 647 H LEU 81 HN LEU 81 112.110 -4.043 -2.330 648 HA LEU 81 HA LEU 81 113.938 -4.375 -4.462 649 1HB LEU 81 HB2 LEU 81 113.951 -5.840 -2.700 650 2HB LEU 81 HB1 LEU 81 112.239 -6.288 -2.853 651 HG LEU 81 HG LEU 81 113.082 -7.264 -5.130 652 1HD1 LEU 81 HD11 LEU 81 115.406 -7.899 -5.107 653 2HD1 LEU 81 HD12 LEU 81 115.642 -6.992 -3.618 654 3HD1 LEU 81 HD13 LEU 81 115.205 -6.147 -5.108 655 1HD2 LEU 81 HD21 LEU 81 113.906 -8.502 -2.492 656 2HD2 LEU 81 HD22 LEU 81 113.737 -9.343 -4.028 657 3HD2 LEU 81 HD23 LEU 81 112.324 -8.630 -3.257 658 H ASP 82 HN ASP 82 113.636 -4.935 -6.450 659 HA ASP 82 HA ASP 82 111.504 -4.468 -8.058 660 1HB ASP 82 HB2 ASP 82 113.653 -4.872 -8.984 661 2HB ASP 82 HB1 ASP 82 113.718 -6.493 -8.309 662 H PHE 83 HN PHE 83 109.615 -5.295 -8.337 663 HA PHE 83 HA PHE 83 108.496 -7.292 -6.830 664 1HB PHE 83 HB2 PHE 83 107.195 -5.515 -7.892 665 2HB PHE 83 HB1 PHE 83 107.504 -6.223 -9.472 666 HD1 PHE 83 HD1 PHE 83 105.918 -6.895 -6.194 667 HD2 PHE 83 HD2 PHE 83 106.090 -7.881 -10.332 668 HE1 PHE 83 HE1 PHE 83 103.920 -8.295 -5.939 669 HE2 PHE 83 HE2 PHE 83 104.089 -9.285 -10.081 670 HZ PHE 83 HZ PHE 83 103.001 -9.492 -7.882 671 H HIS 84 HN HIS 84 109.834 -7.587 -10.110 672 HA HIS 84 HA HIS 84 108.846 -10.242 -10.388 673 1HB HIS 84 HB2 HIS 84 109.441 -9.006 -12.418 674 2HB HIS 84 HB1 HIS 84 111.124 -8.918 -11.902 675 HD1 HIS 84 HD1 HIS 84 108.552 -11.542 -12.944 676 HD2 HIS 84 HD2 HIS 84 112.673 -11.015 -12.745 677 HE1 HIS 84 HE1 HIS 84 109.561 -13.627 -13.900 678 HE2 HIS 84 HE2 HIS 84 112.022 -13.374 -13.513 679 H THR 85 HN THR 85 111.841 -8.937 -9.201 680 HA THR 85 HA THR 85 113.199 -11.370 -8.834 681 HB THR 85 HB THR 85 113.426 -8.862 -7.147 682 HG1 THR 85 HG1 THR 85 113.711 -8.545 -9.424 683 1HG2 THR 85 HG21 THR 85 115.696 -9.658 -6.636 684 2HG2 THR 85 HG22 THR 85 115.467 -11.074 -7.647 685 3HG2 THR 85 HG23 THR 85 114.520 -10.871 -6.171 686 H LYS 86 HN LYS 86 111.255 -9.464 -6.516 687 HA LYS 86 HA LYS 86 111.444 -11.354 -4.439 688 1HB LYS 86 HB2 LYS 86 109.640 -10.127 -3.318 689 2HB LYS 86 HB1 LYS 86 110.838 -9.039 -4.001 690 1HG LYS 86 HG2 LYS 86 109.352 -8.615 -5.899 691 2HG LYS 86 HG1 LYS 86 108.139 -9.658 -5.157 692 1HD LYS 86 HD2 LYS 86 109.278 -7.158 -3.923 693 2HD LYS 86 HD1 LYS 86 107.736 -7.260 -4.768 694 1HE LYS 86 HE2 LYS 86 106.944 -8.880 -3.103 695 2HE LYS 86 HE1 LYS 86 108.487 -8.750 -2.252 696 1HZ LYS 86 HZ1 LYS 86 106.766 -7.291 -1.265 697 2HZ LYS 86 HZ2 LYS 86 106.605 -6.532 -2.756 698 3HZ LYS 86 HZ3 LYS 86 108.047 -6.390 -1.928 699 H GLU 87 HN GLU 87 109.193 -11.042 -7.086 700 HA GLU 87 HA GLU 87 107.271 -12.899 -6.325 701 1HB GLU 87 HB2 GLU 87 106.991 -11.557 -8.329 702 2HB GLU 87 HB1 GLU 87 108.383 -12.325 -9.077 703 1HG GLU 87 HG2 GLU 87 107.207 -14.455 -9.101 704 2HG GLU 87 HG1 GLU 87 105.810 -13.697 -8.339 705 H VAL 88 HN VAL 88 110.257 -13.460 -8.173 706 HA VAL 88 HA VAL 88 109.897 -16.245 -8.266 707 HB VAL 88 HB VAL 88 112.548 -14.772 -8.443 708 1HG1 VAL 88 HG11 VAL 88 112.789 -17.163 -8.138 709 2HG1 VAL 88 HG12 VAL 88 113.221 -16.731 -9.802 710 3HG1 VAL 88 HG13 VAL 88 111.643 -17.451 -9.442 711 1HG2 VAL 88 HG21 VAL 88 110.581 -15.464 -10.638 712 2HG2 VAL 88 HG22 VAL 88 112.182 -14.775 -10.882 713 3HG2 VAL 88 HG23 VAL 88 110.942 -13.848 -10.044 714 H ILE 89 HN ILE 89 111.480 -14.152 -5.937 715 HA ILE 89 HA ILE 89 112.643 -16.157 -4.334 716 HB ILE 89 HB ILE 89 111.546 -13.484 -3.391 717 1HG1 ILE 89 HG12 ILE 89 114.351 -14.221 -4.267 718 2HG1 ILE 89 HG11 ILE 89 113.216 -13.242 -5.191 719 1HG2 ILE 89 HG21 ILE 89 113.076 -13.709 -1.508 720 2HG2 ILE 89 HG22 ILE 89 113.603 -15.292 -2.089 721 3HG2 ILE 89 HG23 ILE 89 111.939 -15.052 -1.543 722 1HD1 ILE 89 HD11 ILE 89 114.753 -11.754 -4.129 723 2HD1 ILE 89 HD12 ILE 89 114.546 -12.583 -2.594 724 3HD1 ILE 89 HD13 ILE 89 113.219 -11.630 -3.234 725 H THR 90 HN THR 90 109.463 -14.542 -4.049 726 HA THR 90 HA THR 90 108.583 -15.954 -1.812 727 HB THR 90 HB THR 90 106.253 -15.343 -2.488 728 HG1 THR 90 HG1 THR 90 107.554 -14.686 -4.909 729 1HG2 THR 90 HG21 THR 90 107.609 -13.691 -1.292 730 2HG2 THR 90 HG22 THR 90 106.542 -12.900 -2.455 731 3HG2 THR 90 HG23 THR 90 108.254 -13.101 -2.824 732 H ASN 91 HN ASN 91 108.639 -16.956 -5.139 733 HA ASN 91 HA ASN 91 106.923 -19.246 -4.647 734 1HB ASN 91 HB2 ASN 91 108.385 -18.348 -7.123 735 2HB ASN 91 HB1 ASN 91 107.520 -19.873 -7.033 736 1HD2 ASN 91 HD21 ASN 91 107.245 -16.434 -7.210 737 2HD2 ASN 91 HD22 ASN 91 105.568 -16.369 -7.505 738 H SER 92 HN SER 92 110.311 -18.602 -4.598 739 HA SER 92 HA SER 92 110.760 -21.497 -4.615 740 1HB SER 92 HB2 SER 92 111.703 -20.361 -6.591 741 2HB SER 92 HB1 SER 92 112.675 -19.343 -5.533 742 HG SER 92 HG SER 92 113.565 -21.351 -4.711 743 H ILE 93 HN ILE 93 110.416 -19.245 -2.428 744 HA ILE 93 HA ILE 93 112.882 -19.460 -0.973 745 HB ILE 93 HB ILE 93 111.344 -17.496 -0.697 746 1HG1 ILE 93 HG12 ILE 93 111.447 -17.369 1.810 747 2HG1 ILE 93 HG11 ILE 93 111.946 -19.057 1.825 748 1HG2 ILE 93 HG21 ILE 93 109.342 -17.725 0.742 749 2HG2 ILE 93 HG22 ILE 93 109.566 -19.488 0.668 750 3HG2 ILE 93 HG23 ILE 93 109.231 -18.590 -0.795 751 1HD1 ILE 93 HD11 ILE 93 113.933 -18.373 0.430 752 2HD1 ILE 93 HD12 ILE 93 113.898 -17.762 2.061 753 3HD1 ILE 93 HD13 ILE 93 113.467 -16.686 0.730 754 H THR 94 HN THR 94 109.989 -21.235 -1.231 755 HA THR 94 HA THR 94 110.164 -22.914 0.982 756 HB THR 94 HB THR 94 108.189 -22.899 -0.448 757 HG1 THR 94 HG1 THR 94 108.832 -24.834 0.679 758 1HG2 THR 94 HG21 THR 94 109.927 -24.145 -2.589 759 2HG2 THR 94 HG22 THR 94 109.273 -22.509 -2.610 760 3HG2 THR 94 HG23 THR 94 108.182 -23.896 -2.701 761 H GLN 95 HN GLN 95 112.079 -22.761 -1.936 762 HA GLN 95 HA GLN 95 113.627 -25.103 -1.099 763 1HB GLN 95 HB2 GLN 95 113.068 -24.196 -3.934 764 2HB GLN 95 HB1 GLN 95 114.125 -25.515 -3.474 765 1HG GLN 95 HG2 GLN 95 112.219 -26.755 -2.617 766 2HG GLN 95 HG1 GLN 95 111.151 -25.415 -3.039 767 1HE2 GLN 95 HE21 GLN 95 111.258 -28.217 -3.993 768 2HE2 GLN 95 HE22 GLN 95 111.339 -28.081 -5.708 769 HA PRO 96 HA PRO 96 116.032 -21.139 -1.384 770 1HB PRO 96 HB2 PRO 96 117.236 -21.223 1.007 771 2HB PRO 96 HB1 PRO 96 115.588 -20.624 0.799 772 1HG PRO 96 HG2 PRO 96 116.508 -23.315 1.712 773 2HG PRO 96 HG1 PRO 96 115.231 -22.282 2.385 774 1HD PRO 96 HD2 PRO 96 114.686 -24.360 0.708 775 2HD PRO 96 HD1 PRO 96 113.718 -22.879 0.770 776 H THR 97 HN THR 97 118.074 -20.797 -1.718 777 HA THR 97 HA THR 97 120.022 -22.993 -1.824 778 HB THR 97 HB THR 97 120.884 -21.620 -3.812 779 HG1 THR 97 HG1 THR 97 119.710 -20.006 -4.543 780 1HG2 THR 97 HG21 THR 97 118.219 -23.000 -4.078 781 2HG2 THR 97 HG22 THR 97 119.800 -23.778 -4.027 782 3HG2 THR 97 HG23 THR 97 119.378 -22.734 -5.393 783 H LEU 98 HN LEU 98 122.190 -21.977 -2.026 784 HA LEU 98 HA LEU 98 122.899 -20.943 0.403 785 1HB LEU 98 HB2 LEU 98 124.235 -21.858 -1.711 786 2HB LEU 98 HB1 LEU 98 124.572 -20.150 -1.909 787 HG LEU 98 HG LEU 98 125.515 -20.085 0.357 788 1HD1 LEU 98 HD11 LEU 98 125.015 -23.063 0.268 789 2HD1 LEU 98 HD12 LEU 98 124.138 -21.912 1.245 790 3HD1 LEU 98 HD13 LEU 98 125.862 -22.194 1.557 791 1HD2 LEU 98 HD21 LEU 98 126.963 -20.493 -1.571 792 2HD2 LEU 98 HD22 LEU 98 126.654 -22.223 -1.438 793 3HD2 LEU 98 HD23 LEU 98 127.530 -21.383 -0.156 794 H HIS 99 HN HIS 99 122.203 -19.053 -2.466 795 HA HIS 99 HA HIS 99 121.190 -17.010 -0.780 796 1HB HIS 99 HB2 HIS 99 122.399 -15.068 -1.686 797 2HB HIS 99 HB1 HIS 99 123.462 -16.115 -0.780 798 HD1 HIS 99 HD1 HIS 99 124.963 -14.248 -2.363 799 HD2 HIS 99 HD2 HIS 99 123.469 -17.720 -4.125 800 HE1 HIS 99 HE1 HIS 99 126.301 -14.591 -4.438 801 HE2 HIS 99 HE2 HIS 99 125.370 -16.639 -5.526 802 H SER 100 HN SER 100 119.422 -17.799 -1.375 803 HA SER 100 HA SER 100 118.420 -17.739 -3.981 804 1HB SER 100 HB2 SER 100 117.002 -17.497 -1.306 805 2HB SER 100 HB1 SER 100 116.208 -17.849 -2.854 806 HG SER 100 HG SER 100 118.035 -19.498 -2.876 807 H PHE 101 HN PHE 101 119.294 -15.236 -2.012 808 HA PHE 101 HA PHE 101 117.490 -13.290 -3.212 809 1HB PHE 101 HB2 PHE 101 119.648 -12.790 -1.169 810 2HB PHE 101 HB1 PHE 101 118.241 -11.799 -1.532 811 HD1 PHE 101 HD1 PHE 101 119.560 -14.551 0.356 812 HD2 PHE 101 HD2 PHE 101 115.966 -12.602 -0.824 813 HE1 PHE 101 HE1 PHE 101 118.345 -15.709 2.139 814 HE2 PHE 101 HE2 PHE 101 114.766 -13.770 0.992 815 HZ PHE 101 HZ PHE 101 115.954 -15.306 2.443 816 H ASP 102 HN ASP 102 120.145 -14.848 -4.180 817 HA ASP 102 HA ASP 102 122.147 -13.100 -4.778 818 1HB ASP 102 HB2 ASP 102 122.779 -14.469 -6.703 819 2HB ASP 102 HB1 ASP 102 122.267 -15.487 -5.371 820 H ALA 103 HN ALA 103 119.156 -13.337 -6.764 821 HA ALA 103 HA ALA 103 120.053 -11.336 -8.598 822 1HB ALA 103 HB1 ALA 103 118.269 -13.022 -9.127 823 2HB ALA 103 HB2 ALA 103 117.834 -11.355 -9.488 824 3HB ALA 103 HB3 ALA 103 117.181 -12.124 -8.049 825 H ALA 104 HN ALA 104 118.325 -11.356 -5.635 826 HA ALA 104 HA ALA 104 117.332 -8.691 -5.794 827 1HB ALA 104 HB1 ALA 104 117.546 -10.557 -3.428 828 2HB ALA 104 HB2 ALA 104 116.174 -10.365 -4.544 829 3HB ALA 104 HB3 ALA 104 116.631 -9.037 -3.480 830 H GLN 105 HN GLN 105 120.207 -10.167 -4.643 831 HA GLN 105 HA GLN 105 121.317 -8.146 -3.074 832 1HB GLN 105 HB2 GLN 105 122.197 -10.472 -3.310 833 2HB GLN 105 HB1 GLN 105 122.693 -10.111 -4.944 834 1HG GLN 105 HG2 GLN 105 123.814 -8.525 -2.667 835 2HG GLN 105 HG1 GLN 105 124.408 -10.147 -2.973 836 1HE2 GLN 105 HE21 GLN 105 124.359 -6.858 -4.080 837 2HE2 GLN 105 HE22 GLN 105 125.577 -7.061 -5.294 838 H SER 106 HN SER 106 121.373 -8.692 -6.563 839 HA SER 106 HA SER 106 122.906 -6.412 -7.193 840 1HB SER 106 HB2 SER 106 120.988 -7.989 -8.910 841 2HB SER 106 HB1 SER 106 122.292 -6.939 -9.473 842 HG SER 106 HG SER 106 123.769 -8.300 -8.517 843 H ARG 107 HN ARG 107 119.453 -7.055 -6.885 844 HA ARG 107 HA ARG 107 118.446 -4.671 -8.051 845 1HB ARG 107 HB2 ARG 107 117.224 -6.310 -5.845 846 2HB ARG 107 HB1 ARG 107 116.399 -5.109 -6.819 847 1HG ARG 107 HG2 ARG 107 117.553 -7.704 -7.800 848 2HG ARG 107 HG1 ARG 107 115.848 -7.347 -7.512 849 1HD ARG 107 HD2 ARG 107 115.900 -5.643 -9.246 850 2HD ARG 107 HD1 ARG 107 117.618 -5.948 -9.515 851 HE ARG 107 HE ARG 107 115.982 -8.271 -9.751 852 1HH1 ARG 107 HH11 ARG 107 116.918 -5.396 -11.556 853 2HH1 ARG 107 HH12 ARG 107 116.967 -6.182 -13.072 854 1HH2 ARG 107 HH21 ARG 107 116.024 -9.346 -11.836 855 2HH2 ARG 107 HH22 ARG 107 116.469 -8.457 -13.226 856 H VAL 108 HN VAL 108 119.162 -5.485 -4.702 857 HA VAL 108 HA VAL 108 118.461 -2.902 -3.760 858 HB VAL 108 HB VAL 108 120.085 -5.081 -2.407 859 1HG1 VAL 108 HG11 VAL 108 119.538 -3.936 -0.332 860 2HG1 VAL 108 HG12 VAL 108 118.729 -2.655 -1.254 861 3HG1 VAL 108 HG13 VAL 108 120.479 -2.873 -1.391 862 1HG2 VAL 108 HG21 VAL 108 117.177 -4.328 -2.217 863 2HG2 VAL 108 HG22 VAL 108 117.987 -5.579 -1.273 864 3HG2 VAL 108 HG23 VAL 108 117.835 -5.754 -3.021 865 H TYR 109 HN TYR 109 121.426 -4.364 -4.817 866 HA TYR 109 HA TYR 109 123.233 -2.354 -4.131 867 1HB TYR 109 HB2 TYR 109 124.152 -4.344 -4.889 868 2HB TYR 109 HB1 TYR 109 123.101 -4.452 -6.275 869 HD1 TYR 109 HD1 TYR 109 126.281 -3.300 -4.959 870 HD2 TYR 109 HD2 TYR 109 123.685 -3.041 -8.314 871 HE1 TYR 109 HE1 TYR 109 128.140 -2.471 -6.336 872 HE2 TYR 109 HE2 TYR 109 125.530 -2.206 -9.690 873 HH TYR 109 HH TYR 109 128.736 -2.407 -8.703 874 H GLN 110 HN GLN 110 121.310 -2.730 -7.138 875 HA GLN 110 HA GLN 110 122.175 -0.215 -8.108 876 1HB GLN 110 HB2 GLN 110 120.529 -0.492 -9.918 877 2HB GLN 110 HB1 GLN 110 121.516 -1.918 -9.698 878 1HG GLN 110 HG2 GLN 110 119.547 -3.001 -9.872 879 2HG GLN 110 HG1 GLN 110 119.389 -2.560 -8.192 880 1HE2 GLN 110 HE21 GLN 110 117.853 -1.113 -7.579 881 2HE2 GLN 110 HE22 GLN 110 116.695 -0.432 -8.672 882 H LEU 111 HN LEU 111 119.464 -1.192 -6.201 883 HA LEU 111 HA LEU 111 117.923 1.157 -6.170 884 1HB LEU 111 HB2 LEU 111 118.566 -0.701 -3.881 885 2HB LEU 111 HB1 LEU 111 117.456 0.637 -3.729 886 HG LEU 111 HG LEU 111 117.090 -1.741 -5.547 887 1HD1 LEU 111 HD11 LEU 111 115.740 -1.000 -2.948 888 2HD1 LEU 111 HD12 LEU 111 116.944 -2.266 -3.140 889 3HD1 LEU 111 HD13 LEU 111 115.375 -2.411 -3.943 890 1HD2 LEU 111 HD21 LEU 111 116.030 0.297 -6.412 891 2HD2 LEU 111 HD22 LEU 111 115.240 0.548 -4.855 892 3HD2 LEU 111 HD23 LEU 111 114.822 -0.854 -5.840 893 H MET 112 HN MET 112 120.570 0.300 -3.988 894 HA MET 112 HA MET 112 120.672 2.814 -2.723 895 1HB MET 112 HB2 MET 112 122.698 0.600 -2.874 896 2HB MET 112 HB1 MET 112 122.944 2.062 -1.929 897 1HG MET 112 HG2 MET 112 120.996 1.545 -0.585 898 2HG MET 112 HG1 MET 112 120.690 0.103 -1.556 899 1HE MET 112 HE1 MET 112 122.267 -2.003 -1.569 900 2HE MET 112 HE2 MET 112 123.807 -2.091 -0.710 901 3HE MET 112 HE3 MET 112 123.608 -0.964 -2.054 902 H GLU 113 HN GLU 113 122.181 1.599 -5.583 903 HA GLU 113 HA GLU 113 124.181 3.545 -5.894 904 1HB GLU 113 HB2 GLU 113 123.944 1.369 -7.161 905 2HB GLU 113 HB1 GLU 113 122.631 2.090 -8.061 906 1HG GLU 113 HG2 GLU 113 125.490 3.068 -8.098 907 2HG GLU 113 HG1 GLU 113 124.794 1.973 -9.280 908 H GLN 114 HN GLN 114 121.049 3.348 -7.563 909 HA GLN 114 HA GLN 114 121.263 5.956 -8.618 910 1HB GLN 114 HB2 GLN 114 118.954 5.624 -9.411 911 2HB GLN 114 HB1 GLN 114 120.013 4.276 -9.794 912 1HG GLN 114 HG2 GLN 114 119.068 3.083 -7.806 913 2HG GLN 114 HG1 GLN 114 117.903 4.399 -7.654 914 1HE2 GLN 114 HE21 GLN 114 118.955 1.732 -9.568 915 2HE2 GLN 114 HE22 GLN 114 117.545 1.572 -10.539 916 H ASP 115 HN ASP 115 119.869 4.778 -5.687 917 HA ASP 115 HA ASP 115 118.424 7.265 -5.241 918 1HB ASP 115 HB2 ASP 115 117.309 5.255 -4.557 919 2HB ASP 115 HB1 ASP 115 118.673 4.786 -3.550 920 H SER 116 HN SER 116 121.029 5.479 -3.577 921 HA SER 116 HA SER 116 121.314 7.816 -1.873 922 1HB SER 116 HB2 SER 116 122.320 5.014 -1.442 923 2HB SER 116 HB1 SER 116 122.365 6.340 -0.280 924 HG SER 116 HG SER 116 119.838 5.942 -1.274 925 H TYR 117 HN TYR 117 123.203 5.866 -4.151 926 HA TYR 117 HA TYR 117 125.755 6.668 -3.267 927 1HB TYR 117 HB2 TYR 117 125.566 4.709 -4.569 928 2HB TYR 117 HB1 TYR 117 124.749 5.593 -5.871 929 HD1 TYR 117 HD1 TYR 117 128.052 5.951 -4.076 930 HD2 TYR 117 HD2 TYR 117 125.954 5.650 -7.752 931 HE1 TYR 117 HE1 TYR 117 130.179 6.128 -5.320 932 HE2 TYR 117 HE2 TYR 117 128.055 5.835 -8.981 933 HH TYR 117 HH TYR 117 131.096 5.684 -7.393 934 H THR 118 HN THR 118 123.581 8.061 -5.589 935 HA THR 118 HA THR 118 125.235 9.943 -6.798 936 HB THR 118 HB THR 118 122.918 11.106 -7.038 937 HG1 THR 118 HG1 THR 118 121.371 10.196 -5.854 938 1HG2 THR 118 HG21 THR 118 122.184 9.377 -8.643 939 2HG2 THR 118 HG22 THR 118 123.316 8.236 -7.905 940 3HG2 THR 118 HG23 THR 118 123.925 9.650 -8.762 941 H ARG 119 HN ARG 119 122.973 10.330 -4.144 942 HA ARG 119 HA ARG 119 123.945 12.896 -3.454 943 1HB ARG 119 HB2 ARG 119 122.418 12.614 -1.427 944 2HB ARG 119 HB1 ARG 119 121.674 12.604 -3.019 945 1HG ARG 119 HG2 ARG 119 121.634 10.137 -2.928 946 2HG ARG 119 HG1 ARG 119 122.267 10.225 -1.284 947 1HD ARG 119 HD2 ARG 119 120.318 11.540 -0.615 948 2HD ARG 119 HD1 ARG 119 119.683 11.423 -2.256 949 HE ARG 119 HE ARG 119 119.469 9.070 -1.948 950 1HH1 ARG 119 HH11 ARG 119 119.977 11.011 0.945 951 2HH1 ARG 119 HH12 ARG 119 119.351 9.871 2.039 952 1HH2 ARG 119 HH21 ARG 119 118.498 7.464 -0.427 953 2HH2 ARG 119 HH22 ARG 119 118.511 7.859 1.252 954 H PHE 120 HN PHE 120 124.799 9.695 -2.435 955 HA PHE 120 HA PHE 120 126.339 10.383 -0.196 956 1HB PHE 120 HB2 PHE 120 126.001 8.046 -0.542 957 2HB PHE 120 HB1 PHE 120 126.578 8.126 -2.200 958 HD1 PHE 120 HD1 PHE 120 128.821 7.759 -2.714 959 HD2 PHE 120 HD2 PHE 120 127.695 8.321 1.356 960 HE1 PHE 120 HE1 PHE 120 131.073 7.104 -2.006 961 HE2 PHE 120 HE2 PHE 120 129.994 7.643 2.059 962 HZ PHE 120 HZ PHE 120 131.648 7.051 0.378 963 H LEU 121 HN LEU 121 127.087 10.374 -3.637 964 HA LEU 121 HA LEU 121 129.764 11.134 -3.358 965 1HB LEU 121 HB2 LEU 121 127.842 11.647 -5.624 966 2HB LEU 121 HB1 LEU 121 129.565 11.966 -5.710 967 HG LEU 121 HG LEU 121 128.309 9.255 -5.274 968 1HD1 LEU 121 HD11 LEU 121 129.697 10.402 -7.692 969 2HD1 LEU 121 HD12 LEU 121 127.967 10.082 -7.542 970 3HD1 LEU 121 HD13 LEU 121 129.118 8.745 -7.511 971 1HD2 LEU 121 HD21 LEU 121 131.186 10.015 -5.725 972 2HD2 LEU 121 HD22 LEU 121 130.562 8.383 -5.443 973 3HD2 LEU 121 HD23 LEU 121 130.495 9.609 -4.167 974 H LYS 122 HN LYS 122 126.846 12.976 -3.254 975 HA LYS 122 HA LYS 122 128.467 15.406 -2.922 976 1HB LYS 122 HB2 LYS 122 126.549 15.467 -4.499 977 2HB LYS 122 HB1 LYS 122 125.455 15.146 -3.168 978 1HG LYS 122 HG2 LYS 122 125.469 17.509 -3.860 979 2HG LYS 122 HG1 LYS 122 125.959 17.294 -2.181 980 1HD LYS 122 HD2 LYS 122 127.375 18.944 -3.286 981 2HD LYS 122 HD1 LYS 122 128.313 17.521 -2.846 982 1HE LYS 122 HE2 LYS 122 128.190 16.722 -5.146 983 2HE LYS 122 HE1 LYS 122 127.203 18.117 -5.587 984 1HZ LYS 122 HZ1 LYS 122 129.547 18.419 -6.176 985 2HZ LYS 122 HZ2 LYS 122 130.012 18.263 -4.581 986 3HZ LYS 122 HZ3 LYS 122 129.071 19.567 -5.044 987 H SER 123 HN SER 123 127.612 13.075 -0.862 988 HA SER 123 HA SER 123 126.621 14.637 1.337 989 1HB SER 123 HB2 SER 123 126.901 12.673 2.693 990 2HB SER 123 HB1 SER 123 126.262 12.161 1.132 991 HG SER 123 HG SER 123 128.358 11.543 0.532 992 H ASP 124 HN ASP 124 127.741 15.150 3.250 993 HA ASP 124 HA ASP 124 130.348 16.195 2.874 994 1HB ASP 124 HB2 ASP 124 130.294 16.921 5.145 995 2HB ASP 124 HB1 ASP 124 128.664 17.110 4.514 996 H ILE 125 HN ILE 125 129.255 13.054 3.847 997 HA ILE 125 HA ILE 125 131.661 12.497 5.266 998 HB ILE 125 HB ILE 125 129.417 11.226 5.583 999 1HG1 ILE 125 HG12 ILE 125 131.491 10.476 6.686 1000 2HG1 ILE 125 HG11 ILE 125 130.426 9.144 6.291 1001 1HG2 ILE 125 HG21 ILE 125 130.335 9.625 3.218 1002 2HG2 ILE 125 HG22 ILE 125 128.927 10.686 3.279 1003 3HG2 ILE 125 HG23 ILE 125 128.985 9.233 4.282 1004 1HD1 ILE 125 HD11 ILE 125 132.755 8.574 5.930 1005 2HD1 ILE 125 HD12 ILE 125 132.925 9.921 4.801 1006 3HD1 ILE 125 HD13 ILE 125 131.872 8.566 4.403 1007 H TYR 126 HN TYR 126 130.484 11.875 1.982 1008 HA TYR 126 HA TYR 126 132.975 10.723 1.211 1009 1HB TYR 126 HB2 TYR 126 130.935 10.084 0.026 1010 2HB TYR 126 HB1 TYR 126 130.711 11.744 -0.516 1011 HD1 TYR 126 HD1 TYR 126 131.492 12.333 -2.614 1012 HD2 TYR 126 HD2 TYR 126 133.233 9.003 -0.641 1013 HE1 TYR 126 HE1 TYR 126 132.888 11.930 -4.559 1014 HE2 TYR 126 HE2 TYR 126 134.619 8.550 -2.598 1015 HH TYR 126 HH TYR 126 134.912 9.077 -4.752 1016 H LEU 127 HN LEU 127 131.566 13.934 1.067 1017 HA LEU 127 HA LEU 127 133.668 15.037 -0.470 1018 1HB LEU 127 HB2 LEU 127 131.733 16.412 1.389 1019 2HB LEU 127 HB1 LEU 127 132.829 17.241 0.300 1020 HG LEU 127 HG LEU 127 130.527 15.454 -0.470 1021 1HD1 LEU 127 HD11 LEU 127 129.839 17.643 0.290 1022 2HD1 LEU 127 HD12 LEU 127 129.579 17.458 -1.441 1023 3HD1 LEU 127 HD13 LEU 127 130.947 18.407 -0.854 1024 1HD2 LEU 127 HD21 LEU 127 131.047 16.028 -2.778 1025 2HD2 LEU 127 HD22 LEU 127 132.380 15.153 -2.022 1026 3HD2 LEU 127 HD23 LEU 127 132.487 16.900 -2.251 1027 H ASP 128 HN ASP 128 133.426 14.174 2.818 1028 HA ASP 128 HA ASP 128 135.638 15.788 3.663 1029 1HB ASP 128 HB2 ASP 128 133.935 14.903 5.263 1030 2HB ASP 128 HB1 ASP 128 134.552 13.281 4.962 1031 H LEU 129 HN LEU 129 135.137 12.529 2.460 1032 HA LEU 129 HA LEU 129 137.825 11.623 2.698 1033 1HB LEU 129 HB2 LEU 129 136.023 10.736 0.414 1034 2HB LEU 129 HB1 LEU 129 137.253 9.883 1.259 1035 HG LEU 129 HG LEU 129 134.695 10.610 2.649 1036 1HD1 LEU 129 HD11 LEU 129 135.388 8.103 1.158 1037 2HD1 LEU 129 HD12 LEU 129 134.153 9.280 0.719 1038 3HD1 LEU 129 HD13 LEU 129 133.978 8.326 2.194 1039 1HD2 LEU 129 HD21 LEU 129 136.502 10.027 4.158 1040 2HD2 LEU 129 HD22 LEU 129 136.860 8.590 3.198 1041 3HD2 LEU 129 HD23 LEU 129 135.335 8.694 4.073 1042 H MET 130 HN MET 130 136.047 13.511 0.407 1043 HA MET 130 HA MET 130 138.001 13.663 -1.647 1044 1HB MET 130 HB2 MET 130 135.728 15.546 -0.993 1045 2HB MET 130 HB1 MET 130 136.737 15.690 -2.411 1046 1HG MET 130 HG2 MET 130 134.905 13.350 -1.807 1047 2HG MET 130 HG1 MET 130 134.526 14.683 -2.879 1048 1HE MET 130 HE1 MET 130 136.353 11.272 -2.435 1049 2HE MET 130 HE2 MET 130 137.709 12.392 -2.319 1050 3HE MET 130 HE3 MET 130 137.583 11.310 -3.704 1051 H GLU 131 HN GLU 131 137.297 15.607 1.170 1052 HA GLU 131 HA GLU 131 138.269 17.300 2.186 1053 1HB GLU 131 HB2 GLU 131 140.777 16.197 0.910 1054 2HB GLU 131 HB1 GLU 131 140.795 17.540 2.047 1055 1HG GLU 131 HG2 GLU 131 139.714 16.103 3.717 1056 2HG GLU 131 HG1 GLU 131 139.788 14.761 2.580 1057 H GLY 132 HN GLY 132 137.147 18.834 1.314 1058 1HA GLY 132 HA2 GLY 132 138.567 20.776 -0.225 1059 2HA GLY 132 HA1 GLY 132 137.242 20.026 -1.118 1060 H ARG 133 HN ARG 133 135.149 20.004 -0.104 1061 HA ARG 133 HA ARG 133 134.667 21.655 2.148 1062 1HB ARG 133 HB2 ARG 133 133.199 23.292 1.056 1063 2HB ARG 133 HB1 ARG 133 134.851 23.439 0.504 1064 1HG ARG 133 HG2 ARG 133 134.259 22.344 -1.595 1065 2HG ARG 133 HG1 ARG 133 132.600 22.123 -1.018 1066 1HD ARG 133 HD2 ARG 133 132.311 24.518 -0.836 1067 2HD ARG 133 HD1 ARG 133 133.985 24.782 -1.302 1068 HE ARG 133 HE ARG 133 132.341 23.375 -3.230 1069 1HH1 ARG 133 HH11 ARG 133 133.539 26.523 -2.126 1070 2HH1 ARG 133 HH12 ARG 133 133.403 27.304 -3.636 1071 1HH2 ARG 133 HH21 ARG 133 132.116 24.449 -5.330 1072 2HH2 ARG 133 HH22 ARG 133 132.601 26.072 -5.504 1073 HA PRO 134 HA PRO 134 131.168 18.899 2.221 1074 1HB PRO 134 HB2 PRO 134 129.968 20.727 4.174 1075 2HB PRO 134 HB1 PRO 134 130.552 19.081 4.419 1076 1HG PRO 134 HG2 PRO 134 131.802 21.236 5.468 1077 2HG PRO 134 HG1 PRO 134 132.673 19.773 4.977 1078 1HD PRO 134 HD2 PRO 134 132.383 22.383 3.547 1079 2HD PRO 134 HD1 PRO 134 133.814 21.344 3.720 Start of MODEL 2 1 1H SER 1 HT1 SER 1 138.088 4.538 8.462 2 2H SER 1 HT2 SER 1 137.595 4.231 6.865 3 3H SER 1 HT3 SER 1 136.647 5.197 7.906 4 HA SER 1 HA SER 1 137.884 6.552 6.343 5 1HB SER 1 HB2 SER 1 138.810 6.763 9.209 6 2HB SER 1 HB1 SER 1 138.637 8.078 8.045 7 HG SER 1 HG SER 1 136.534 8.076 8.291 8 H MET 2 HN MET 2 139.382 3.916 6.348 9 HA MET 2 HA MET 2 142.171 4.761 6.758 10 1HB MET 2 HB2 MET 2 140.940 2.029 6.320 11 2HB MET 2 HB1 MET 2 142.662 2.324 6.469 12 1HG MET 2 HG2 MET 2 140.607 2.862 8.597 13 2HG MET 2 HG1 MET 2 141.663 1.453 8.521 14 1HE MET 2 HE1 MET 2 141.479 3.223 11.117 15 2HE MET 2 HE2 MET 2 143.186 3.388 11.532 16 3HE MET 2 HE3 MET 2 142.566 1.844 10.945 17 H VAL 3 HN VAL 3 140.504 5.587 4.593 18 HA VAL 3 HA VAL 3 141.693 4.228 2.286 19 HB VAL 3 HB VAL 3 139.255 4.263 2.258 20 1HG1 VAL 3 HG11 VAL 3 138.850 6.180 3.637 21 2HG1 VAL 3 HG12 VAL 3 137.986 6.322 2.106 22 3HG1 VAL 3 HG13 VAL 3 139.463 7.264 2.377 23 1HG2 VAL 3 HG21 VAL 3 138.840 5.113 0.094 24 2HG2 VAL 3 HG22 VAL 3 140.530 4.580 0.075 25 3HG2 VAL 3 HG23 VAL 3 140.116 6.297 0.223 26 H SER 4 HN SER 4 142.895 5.278 0.818 27 HA SER 4 HA SER 4 144.033 7.835 1.366 28 1HB SER 4 HB2 SER 4 145.364 6.178 0.209 29 2HB SER 4 HB1 SER 4 144.116 5.949 -1.011 30 HG SER 4 HG SER 4 145.941 8.071 -0.680 31 HA PRO 5 HA PRO 5 140.875 10.380 -0.612 32 1HB PRO 5 HB2 PRO 5 143.206 11.901 -1.684 33 2HB PRO 5 HB1 PRO 5 141.797 12.495 -0.794 34 1HG PRO 5 HG2 PRO 5 144.142 12.306 0.418 35 2HG PRO 5 HG1 PRO 5 142.653 11.840 1.263 36 1HD PRO 5 HD2 PRO 5 144.749 10.105 0.025 37 2HD PRO 5 HD1 PRO 5 143.847 9.876 1.538 38 H GLU 6 HN GLU 6 143.658 9.149 -2.329 39 HA GLU 6 HA GLU 6 142.635 9.577 -4.952 40 1HB GLU 6 HB2 GLU 6 144.811 7.808 -3.868 41 2HB GLU 6 HB1 GLU 6 144.407 7.882 -5.576 42 1HG GLU 6 HG2 GLU 6 145.303 10.203 -3.889 43 2HG GLU 6 HG1 GLU 6 146.311 9.297 -5.021 44 H GLU 7 HN GLU 7 142.747 6.793 -2.784 45 HA GLU 7 HA GLU 7 141.425 5.050 -4.590 46 1HB GLU 7 HB2 GLU 7 142.828 4.325 -2.629 47 2HB GLU 7 HB1 GLU 7 141.531 4.851 -1.569 48 1HG GLU 7 HG2 GLU 7 141.428 2.473 -1.861 49 2HG GLU 7 HG1 GLU 7 140.033 3.221 -2.636 50 H ALA 8 HN ALA 8 140.401 7.304 -2.134 51 HA ALA 8 HA ALA 8 137.696 6.554 -2.117 52 1HB ALA 8 HB1 ALA 8 138.881 9.231 -1.330 53 2HB ALA 8 HB2 ALA 8 138.771 7.810 -0.303 54 3HB ALA 8 HB3 ALA 8 137.293 8.630 -0.819 55 H VAL 9 HN VAL 9 139.449 9.001 -4.131 56 HA VAL 9 HA VAL 9 137.071 9.884 -5.395 57 HB VAL 9 HB VAL 9 138.332 10.807 -7.230 58 1HG1 VAL 9 HG11 VAL 9 138.335 12.123 -5.293 59 2HG1 VAL 9 HG12 VAL 9 139.918 12.271 -6.063 60 3HG1 VAL 9 HG13 VAL 9 139.712 11.254 -4.632 61 1HG2 VAL 9 HG21 VAL 9 140.772 10.574 -7.474 62 2HG2 VAL 9 HG22 VAL 9 139.914 9.048 -7.704 63 3HG2 VAL 9 HG23 VAL 9 140.762 9.363 -6.190 64 H LYS 10 HN LYS 10 138.963 7.088 -5.849 65 HA LYS 10 HA LYS 10 137.892 6.321 -8.353 66 1HB LYS 10 HB2 LYS 10 138.936 4.526 -6.158 67 2HB LYS 10 HB1 LYS 10 138.717 4.077 -7.841 68 1HG LYS 10 HG2 LYS 10 140.657 6.097 -6.748 69 2HG LYS 10 HG1 LYS 10 141.038 4.503 -7.399 70 1HD LYS 10 HD2 LYS 10 140.263 5.190 -9.590 71 2HD LYS 10 HD1 LYS 10 139.782 6.763 -8.952 72 1HE LYS 10 HE2 LYS 10 142.138 7.179 -8.331 73 2HE LYS 10 HE1 LYS 10 142.575 5.646 -9.087 74 1HZ LYS 10 HZ1 LYS 10 141.722 6.505 -11.202 75 2HZ LYS 10 HZ2 LYS 10 142.934 7.533 -10.583 76 3HZ LYS 10 HZ3 LYS 10 141.330 7.963 -10.458 77 H TRP 11 HN TRP 11 136.583 6.284 -5.170 78 HA TRP 11 HA TRP 11 134.588 4.300 -5.606 79 1HB TRP 11 HB2 TRP 11 134.715 6.568 -3.627 80 2HB TRP 11 HB1 TRP 11 133.466 5.335 -3.618 81 HD1 TRP 11 HD1 TRP 11 136.137 3.240 -4.440 82 HE1 TRP 11 HE1 TRP 11 137.352 2.289 -2.427 83 HE3 TRP 11 HE3 TRP 11 134.442 6.517 -0.947 84 HZ2 TRP 11 HZ2 TRP 11 137.541 2.843 0.366 85 HZ3 TRP 11 HZ3 TRP 11 135.156 6.213 1.411 86 HH2 TRP 11 HH2 TRP 11 136.683 4.429 2.029 87 H GLY 12 HN GLY 12 134.995 7.491 -6.629 88 1HA GLY 12 HA2 GLY 12 132.168 7.988 -7.040 89 2HA GLY 12 HA1 GLY 12 133.496 9.063 -7.463 90 H GLU 13 HN GLU 13 134.293 6.042 -8.512 91 HA GLU 13 HA GLU 13 133.563 6.692 -11.264 92 1HB GLU 13 HB2 GLU 13 135.140 4.319 -10.270 93 2HB GLU 13 HB1 GLU 13 135.030 4.903 -11.921 94 1HG GLU 13 HG2 GLU 13 136.203 6.959 -11.219 95 2HG GLU 13 HG1 GLU 13 136.348 6.250 -9.606 96 H SER 14 HN SER 14 132.912 4.329 -8.753 97 HA SER 14 HA SER 14 130.612 3.358 -10.143 98 1HB SER 14 HB2 SER 14 132.303 2.064 -11.315 99 2HB SER 14 HB1 SER 14 133.032 1.572 -9.793 100 HG SER 14 HG SER 14 130.628 0.733 -10.990 101 H PHE 15 HN PHE 15 129.155 2.788 -8.695 102 HA PHE 15 HA PHE 15 129.550 2.929 -5.938 103 1HB PHE 15 HB2 PHE 15 127.363 3.251 -6.976 104 2HB PHE 15 HB1 PHE 15 127.347 1.578 -7.506 105 HD1 PHE 15 HD1 PHE 15 127.992 3.283 -4.239 106 HD2 PHE 15 HD2 PHE 15 125.775 0.360 -6.378 107 HE1 PHE 15 HE1 PHE 15 126.783 2.677 -2.175 108 HE2 PHE 15 HE2 PHE 15 124.571 -0.231 -4.307 109 HZ PHE 15 HZ PHE 15 125.079 0.934 -2.223 110 H ASP 16 HN ASP 16 129.648 0.200 -8.150 111 HA ASP 16 HA ASP 16 129.742 -1.847 -6.226 112 1HB ASP 16 HB2 ASP 16 129.441 -2.344 -8.615 113 2HB ASP 16 HB1 ASP 16 131.085 -1.803 -8.942 114 H LYS 17 HN LYS 17 132.273 0.209 -7.543 115 HA LYS 17 HA LYS 17 134.441 -1.186 -6.350 116 1HB LYS 17 HB2 LYS 17 134.955 0.273 -8.177 117 2HB LYS 17 HB1 LYS 17 134.192 1.647 -7.382 118 1HG LYS 17 HG2 LYS 17 135.878 1.748 -5.753 119 2HG LYS 17 HG1 LYS 17 136.615 0.238 -6.296 120 1HD LYS 17 HD2 LYS 17 136.464 2.836 -7.821 121 2HD LYS 17 HD1 LYS 17 137.883 2.208 -6.993 122 1HE LYS 17 HE2 LYS 17 137.744 0.205 -8.498 123 2HE LYS 17 HE1 LYS 17 136.499 1.068 -9.405 124 1HZ LYS 17 HZ1 LYS 17 139.287 1.931 -8.955 125 2HZ LYS 17 HZ2 LYS 17 138.129 2.879 -9.753 126 3HZ LYS 17 HZ3 LYS 17 138.631 1.418 -10.425 127 H LEU 18 HN LEU 18 132.506 1.530 -5.416 128 HA LEU 18 HA LEU 18 133.703 2.253 -2.993 129 1HB LEU 18 HB2 LEU 18 132.143 3.680 -4.009 130 2HB LEU 18 HB1 LEU 18 130.945 2.418 -4.146 131 HG LEU 18 HG LEU 18 130.611 2.506 -1.697 132 1HD1 LEU 18 HD11 LEU 18 132.810 3.377 -1.054 133 2HD1 LEU 18 HD12 LEU 18 131.514 4.414 -0.456 134 3HD1 LEU 18 HD13 LEU 18 132.449 4.897 -1.871 135 1HD2 LEU 18 HD21 LEU 18 129.429 4.642 -1.723 136 2HD2 LEU 18 HD22 LEU 18 129.203 3.719 -3.219 137 3HD2 LEU 18 HD23 LEU 18 130.318 5.085 -3.184 138 H LEU 19 HN LEU 19 131.084 0.093 -3.754 139 HA LEU 19 HA LEU 19 130.368 -0.524 -1.106 140 1HB LEU 19 HB2 LEU 19 129.078 -0.436 -3.309 141 2HB LEU 19 HB1 LEU 19 129.644 -2.076 -3.523 142 HG LEU 19 HG LEU 19 128.498 -2.748 -1.490 143 1HD1 LEU 19 HD11 LEU 19 128.738 -0.572 -0.317 144 2HD1 LEU 19 HD12 LEU 19 127.064 -1.119 -0.309 145 3HD1 LEU 19 HD13 LEU 19 127.590 0.146 -1.431 146 1HD2 LEU 19 HD21 LEU 19 126.227 -2.418 -2.376 147 2HD2 LEU 19 HD22 LEU 19 127.384 -2.818 -3.656 148 3HD2 LEU 19 HD23 LEU 19 126.850 -1.158 -3.441 149 H SER 20 HN SER 20 132.498 -2.049 -3.441 150 HA SER 20 HA SER 20 132.574 -4.485 -1.907 151 1HB SER 20 HB2 SER 20 134.324 -5.178 -3.596 152 2HB SER 20 HB1 SER 20 132.742 -4.788 -4.271 153 HG SER 20 HG SER 20 133.483 -2.904 -4.992 154 H HIS 21 HN HIS 21 134.098 -1.525 -1.772 155 HA HIS 21 HA HIS 21 136.655 -2.465 -0.737 156 1HB HIS 21 HB2 HIS 21 135.949 -0.185 -2.058 157 2HB HIS 21 HB1 HIS 21 135.751 0.349 -0.404 158 HD1 HIS 21 HD1 HIS 21 137.901 0.981 0.885 159 HD2 HIS 21 HD2 HIS 21 138.622 -0.955 -2.727 160 HE1 HIS 21 HE1 HIS 21 140.316 1.278 0.446 161 HE2 HIS 21 HE2 HIS 21 140.771 -0.126 -1.627 162 H ARG 22 HN ARG 22 137.042 -2.697 1.473 163 HA ARG 22 HA ARG 22 134.860 -2.897 3.268 164 1HB ARG 22 HB2 ARG 22 137.817 -2.729 3.801 165 2HB ARG 22 HB1 ARG 22 136.683 -2.660 5.127 166 1HG ARG 22 HG2 ARG 22 137.190 -4.873 5.162 167 2HG ARG 22 HG1 ARG 22 135.822 -4.917 4.065 168 1HD ARG 22 HD2 ARG 22 138.683 -4.758 3.140 169 2HD ARG 22 HD1 ARG 22 137.861 -6.278 3.442 170 HE ARG 22 HE ARG 22 136.255 -4.921 1.711 171 1HH1 ARG 22 HH11 ARG 22 139.634 -6.114 1.690 172 2HH1 ARG 22 HH12 ARG 22 139.719 -6.240 -0.000 173 1HH2 ARG 22 HH21 ARG 22 136.391 -5.193 -0.626 174 2HH2 ARG 22 HH22 ARG 22 137.804 -5.755 -1.362 175 H ASP 23 HN ASP 23 137.252 -0.311 3.044 176 HA ASP 23 HA ASP 23 135.991 1.266 5.057 177 1HB ASP 23 HB2 ASP 23 138.438 1.351 4.123 178 2HB ASP 23 HB1 ASP 23 137.751 2.462 2.944 179 H GLY 24 HN GLY 24 135.234 0.723 1.794 180 1HA GLY 24 HA2 GLY 24 134.023 3.342 1.364 181 2HA GLY 24 HA1 GLY 24 134.088 2.041 0.194 182 H LEU 25 HN LEU 25 133.080 -0.014 1.610 183 HA LEU 25 HA LEU 25 130.335 0.419 1.598 184 1HB LEU 25 HB2 LEU 25 130.590 -1.810 1.415 185 2HB LEU 25 HB1 LEU 25 132.190 -1.749 2.092 186 HG LEU 25 HG LEU 25 129.766 -1.818 3.898 187 1HD1 LEU 25 HD11 LEU 25 131.250 -4.155 2.674 188 2HD1 LEU 25 HD12 LEU 25 129.593 -3.689 2.294 189 3HD1 LEU 25 HD13 LEU 25 129.999 -4.262 3.912 190 1HD2 LEU 25 HD21 LEU 25 131.380 -2.903 5.418 191 2HD2 LEU 25 HD22 LEU 25 131.971 -1.318 4.922 192 3HD2 LEU 25 HD23 LEU 25 132.635 -2.769 4.184 193 H GLU 26 HN GLU 26 132.744 0.703 4.012 194 HA GLU 26 HA GLU 26 131.011 1.082 6.214 195 1HB GLU 26 HB2 GLU 26 133.358 0.265 6.217 196 2HB GLU 26 HB1 GLU 26 133.899 1.906 5.894 197 1HG GLU 26 HG2 GLU 26 134.138 1.439 8.233 198 2HG GLU 26 HG1 GLU 26 132.841 2.613 8.017 199 H ALA 27 HN ALA 27 132.587 3.270 3.826 200 HA ALA 27 HA ALA 27 131.795 5.691 5.159 201 1HB ALA 27 HB1 ALA 27 132.160 6.790 2.968 202 2HB ALA 27 HB2 ALA 27 132.501 5.219 2.242 203 3HB ALA 27 HB3 ALA 27 133.585 5.869 3.465 204 H PHE 28 HN PHE 28 130.502 3.744 2.536 205 HA PHE 28 HA PHE 28 128.330 5.419 2.002 206 1HB PHE 28 HB2 PHE 28 129.149 3.687 0.409 207 2HB PHE 28 HB1 PHE 28 128.484 2.448 1.474 208 HD1 PHE 28 HD1 PHE 28 127.595 5.397 -0.560 209 HD2 PHE 28 HD2 PHE 28 126.224 1.858 1.358 210 HE1 PHE 28 HE1 PHE 28 125.408 5.672 -1.632 211 HE2 PHE 28 HE2 PHE 28 124.034 2.130 0.285 212 HZ PHE 28 HZ PHE 28 123.625 4.040 -1.212 213 H THR 29 HN THR 29 128.690 2.621 4.176 214 HA THR 29 HA THR 29 125.980 2.641 4.825 215 HB THR 29 HB THR 29 127.539 0.676 5.313 216 HG1 THR 29 HG1 THR 29 126.442 0.161 7.270 217 1HG2 THR 29 HG21 THR 29 129.334 1.909 6.440 218 2HG2 THR 29 HG22 THR 29 128.671 0.653 7.489 219 3HG2 THR 29 HG23 THR 29 128.220 2.340 7.738 220 H ARG 30 HN ARG 30 128.645 4.612 6.024 221 HA ARG 30 HA ARG 30 127.394 5.707 8.304 222 1HB ARG 30 HB2 ARG 30 129.200 7.046 6.273 223 2HB ARG 30 HB1 ARG 30 128.622 7.870 7.707 224 1HG ARG 30 HG2 ARG 30 130.361 5.422 7.642 225 2HG ARG 30 HG1 ARG 30 130.888 7.074 7.976 226 1HD ARG 30 HD2 ARG 30 129.322 7.117 9.897 227 2HD ARG 30 HD1 ARG 30 128.974 5.414 9.602 228 HE ARG 30 HE ARG 30 131.208 6.529 10.931 229 1HH1 ARG 30 HH11 ARG 30 130.321 3.845 8.827 230 2HH1 ARG 30 HH12 ARG 30 131.415 2.734 9.429 231 1HH2 ARG 30 HH21 ARG 30 132.817 5.066 11.801 232 2HH2 ARG 30 HH22 ARG 30 132.991 3.495 11.170 233 H PHE 31 HN PHE 31 127.254 6.635 4.930 234 HA PHE 31 HA PHE 31 125.388 8.738 5.278 235 1HB PHE 31 HB2 PHE 31 126.942 8.621 3.373 236 2HB PHE 31 HB1 PHE 31 126.117 7.181 2.789 237 HD1 PHE 31 HD1 PHE 31 125.695 10.769 3.483 238 HD2 PHE 31 HD2 PHE 31 124.212 7.356 1.446 239 HE1 PHE 31 HE1 PHE 31 124.152 12.195 2.222 240 HE2 PHE 31 HE2 PHE 31 122.667 8.781 0.180 241 HZ PHE 31 HZ PHE 31 122.638 11.200 0.568 242 H LEU 32 HN LEU 32 125.103 5.359 4.425 243 HA LEU 32 HA LEU 32 122.356 5.363 3.800 244 1HB LEU 32 HB2 LEU 32 124.193 3.577 3.379 245 2HB LEU 32 HB1 LEU 32 123.835 3.086 5.018 246 HG LEU 32 HG LEU 32 121.564 2.510 4.390 247 1HD1 LEU 32 HD11 LEU 32 120.851 2.630 2.048 248 2HD1 LEU 32 HD12 LEU 32 122.374 3.407 1.618 249 3HD1 LEU 32 HD13 LEU 32 121.228 4.236 2.670 250 1HD2 LEU 32 HD21 LEU 32 122.081 0.662 2.872 251 2HD2 LEU 32 HD22 LEU 32 123.305 0.838 4.131 252 3HD2 LEU 32 HD23 LEU 32 123.632 1.417 2.497 253 H LYS 33 HN LYS 33 124.133 5.002 6.785 254 HA LYS 33 HA LYS 33 121.885 4.436 8.423 255 1HB LYS 33 HB2 LYS 33 124.675 5.397 9.066 256 2HB LYS 33 HB1 LYS 33 123.470 5.070 10.303 257 1HG LYS 33 HG2 LYS 33 123.354 2.756 9.614 258 2HG LYS 33 HG1 LYS 33 124.483 3.073 8.298 259 1HD LYS 33 HD2 LYS 33 126.225 3.611 9.893 260 2HD LYS 33 HD1 LYS 33 125.101 3.368 11.240 261 1HE LYS 33 HE2 LYS 33 124.770 1.027 10.489 262 2HE LYS 33 HE1 LYS 33 125.979 1.284 9.238 263 1HZ LYS 33 HZ1 LYS 33 127.674 1.561 10.953 264 2HZ LYS 33 HZ2 LYS 33 126.824 0.145 11.254 265 3HZ LYS 33 HZ3 LYS 33 126.491 1.515 12.153 266 H THR 34 HN THR 34 123.453 7.405 7.358 267 HA THR 34 HA THR 34 122.030 8.997 9.245 268 HB THR 34 HB THR 34 124.303 9.632 8.142 269 HG1 THR 34 HG1 THR 34 122.318 11.213 9.035 270 1HG2 THR 34 HG21 THR 34 124.169 11.000 6.100 271 2HG2 THR 34 HG22 THR 34 122.451 10.605 5.962 272 3HG2 THR 34 HG23 THR 34 123.663 9.335 5.817 273 H GLU 35 HN GLU 35 121.297 7.742 6.078 274 HA GLU 35 HA GLU 35 118.911 9.409 5.948 275 1HB GLU 35 HB2 GLU 35 118.429 8.302 3.801 276 2HB GLU 35 HB1 GLU 35 120.031 9.024 3.832 277 1HG GLU 35 HG2 GLU 35 121.080 6.928 3.977 278 2HG GLU 35 HG1 GLU 35 119.566 6.114 4.368 279 H PHE 36 HN PHE 36 119.803 6.826 7.596 280 HA PHE 36 HA PHE 36 118.826 5.203 8.776 281 1HB PHE 36 HB2 PHE 36 116.288 6.740 8.171 282 2HB PHE 36 HB1 PHE 36 116.443 5.490 9.400 283 HD1 PHE 36 HD1 PHE 36 116.753 8.958 8.674 284 HD2 PHE 36 HD2 PHE 36 118.166 5.889 11.259 285 HE1 PHE 36 HE1 PHE 36 117.492 10.663 10.288 286 HE2 PHE 36 HE2 PHE 36 118.904 7.585 12.878 287 HZ PHE 36 HZ PHE 36 118.568 9.977 12.392 288 H SER 37 HN SER 37 119.426 4.442 6.251 289 HA SER 37 HA SER 37 117.279 2.510 5.668 290 1HB SER 37 HB2 SER 37 119.022 3.864 3.611 291 2HB SER 37 HB1 SER 37 117.657 2.792 3.315 292 HG SER 37 HG SER 37 117.612 5.259 3.294 293 H GLU 38 HN GLU 38 119.657 2.223 7.305 294 HA GLU 38 HA GLU 38 121.900 1.283 5.820 295 1HB GLU 38 HB2 GLU 38 122.828 0.534 7.950 296 2HB GLU 38 HB1 GLU 38 122.189 2.165 8.068 297 1HG GLU 38 HG2 GLU 38 120.241 1.367 9.238 298 2HG GLU 38 HG1 GLU 38 120.741 -0.306 8.998 299 H GLU 39 HN GLU 39 118.959 -0.227 6.614 300 HA GLU 39 HA GLU 39 120.079 -2.852 6.866 301 1HB GLU 39 HB2 GLU 39 117.818 -3.712 7.152 302 2HB GLU 39 HB1 GLU 39 118.091 -2.341 8.201 303 1HG GLU 39 HG2 GLU 39 116.557 -2.268 5.608 304 2HG GLU 39 HG1 GLU 39 115.840 -2.401 7.209 305 H ASN 40 HN ASN 40 119.622 -0.967 4.301 306 HA ASN 40 HA ASN 40 118.850 -3.050 2.447 307 1HB ASN 40 HB2 ASN 40 119.954 -0.272 2.001 308 2HB ASN 40 HB1 ASN 40 119.615 -1.384 0.677 309 1HD2 ASN 40 HD21 ASN 40 118.275 0.681 3.086 310 2HD2 ASN 40 HD22 ASN 40 116.633 0.538 2.572 311 H ILE 41 HN ILE 41 121.815 -1.457 3.453 312 HA ILE 41 HA ILE 41 123.425 -3.044 1.754 313 HB ILE 41 HB ILE 41 123.967 -0.774 3.200 314 1HG1 ILE 41 HG12 ILE 41 126.012 -2.783 2.170 315 2HG1 ILE 41 HG11 ILE 41 125.204 -1.528 1.275 316 1HG2 ILE 41 HG21 ILE 41 125.299 -2.966 4.789 317 2HG2 ILE 41 HG22 ILE 41 124.060 -1.854 5.365 318 3HG2 ILE 41 HG23 ILE 41 125.654 -1.242 4.923 319 1HD1 ILE 41 HD11 ILE 41 126.323 0.186 2.591 320 2HD1 ILE 41 HD12 ILE 41 127.451 -0.886 1.773 321 3HD1 ILE 41 HD13 ILE 41 127.163 -1.071 3.508 322 H GLU 42 HN GLU 42 122.155 -3.312 5.016 323 HA GLU 42 HA GLU 42 123.399 -5.844 5.220 324 1HB GLU 42 HB2 GLU 42 121.870 -4.302 7.249 325 2HB GLU 42 HB1 GLU 42 122.157 -6.027 7.481 326 1HG GLU 42 HG2 GLU 42 124.575 -5.606 7.114 327 2HG GLU 42 HG1 GLU 42 124.267 -3.888 7.131 328 H PHE 43 HN PHE 43 120.706 -4.976 3.680 329 HA PHE 43 HA PHE 43 119.191 -7.314 3.978 330 1HB PHE 43 HB2 PHE 43 118.259 -5.404 2.813 331 2HB PHE 43 HB1 PHE 43 119.602 -5.368 1.687 332 HD1 PHE 43 HD1 PHE 43 119.699 -6.932 -0.161 333 HD2 PHE 43 HD2 PHE 43 116.439 -6.913 2.543 334 HE1 PHE 43 HE1 PHE 43 118.391 -8.281 -1.749 335 HE2 PHE 43 HE2 PHE 43 115.117 -8.237 0.974 336 HZ PHE 43 HZ PHE 43 116.093 -8.938 -1.181 337 H TRP 44 HN TRP 44 121.630 -6.345 1.550 338 HA TRP 44 HA TRP 44 121.826 -9.159 1.030 339 1HB TRP 44 HB2 TRP 44 123.482 -8.638 -0.821 340 2HB TRP 44 HB1 TRP 44 121.830 -8.098 -1.028 341 HD1 TRP 44 HD1 TRP 44 121.559 -5.715 -1.769 342 HE1 TRP 44 HE1 TRP 44 123.056 -3.672 -1.916 343 HE3 TRP 44 HE3 TRP 44 125.661 -7.575 0.630 344 HZ2 TRP 44 HZ2 TRP 44 125.656 -2.917 -1.068 345 HZ3 TRP 44 HZ3 TRP 44 127.615 -6.125 0.923 346 HH2 TRP 44 HH2 TRP 44 127.611 -3.842 0.090 347 H ILE 45 HN ILE 45 123.656 -7.017 2.908 348 HA ILE 45 HA ILE 45 125.854 -8.767 3.144 349 HB ILE 45 HB ILE 45 124.812 -6.513 4.785 350 1HG1 ILE 45 HG12 ILE 45 127.567 -7.125 3.740 351 2HG1 ILE 45 HG11 ILE 45 126.361 -6.116 2.953 352 1HG2 ILE 45 HG21 ILE 45 126.903 -8.306 5.985 353 2HG2 ILE 45 HG22 ILE 45 125.226 -8.168 6.505 354 3HG2 ILE 45 HG23 ILE 45 126.290 -6.766 6.630 355 1HD1 ILE 45 HD11 ILE 45 128.051 -4.770 4.063 356 2HD1 ILE 45 HD12 ILE 45 127.687 -5.558 5.600 357 3HD1 ILE 45 HD13 ILE 45 126.474 -4.541 4.822 358 H ALA 46 HN ALA 46 122.637 -8.784 4.530 359 HA ALA 46 HA ALA 46 123.073 -10.905 6.324 360 1HB ALA 46 HB1 ALA 46 120.587 -10.121 4.794 361 2HB ALA 46 HB2 ALA 46 120.957 -9.728 6.484 362 3HB ALA 46 HB3 ALA 46 120.638 -11.404 5.982 363 H CYS 47 HN CYS 47 122.236 -10.695 2.915 364 HA CYS 47 HA CYS 47 121.914 -13.433 2.421 365 1HB CYS 47 HB2 CYS 47 122.874 -11.288 0.517 366 2HB CYS 47 HB1 CYS 47 122.228 -12.860 0.056 367 HG CYS 47 HG CYS 47 120.406 -10.463 1.725 368 H GLU 48 HN GLU 48 124.800 -11.431 2.515 369 HA GLU 48 HA GLU 48 126.580 -13.492 1.641 370 1HB GLU 48 HB2 GLU 48 127.129 -10.970 3.220 371 2HB GLU 48 HB1 GLU 48 128.363 -12.002 2.512 372 1HG GLU 48 HG2 GLU 48 126.255 -10.476 1.003 373 2HG GLU 48 HG1 GLU 48 127.954 -10.032 1.153 374 H ASP 49 HN ASP 49 125.446 -12.321 4.728 375 HA ASP 49 HA ASP 49 127.023 -13.942 6.439 376 1HB ASP 49 HB2 ASP 49 125.705 -12.019 7.245 377 2HB ASP 49 HB1 ASP 49 124.218 -12.873 6.848 378 H PHE 50 HN PHE 50 124.097 -14.377 4.764 379 HA PHE 50 HA PHE 50 123.467 -16.923 5.751 380 1HB PHE 50 HB2 PHE 50 121.665 -15.620 5.086 381 2HB PHE 50 HB1 PHE 50 122.462 -15.092 3.622 382 HD1 PHE 50 HD1 PHE 50 121.519 -15.726 1.780 383 HD2 PHE 50 HD2 PHE 50 121.331 -18.312 5.100 384 HE1 PHE 50 HE1 PHE 50 120.192 -17.327 0.436 385 HE2 PHE 50 HE2 PHE 50 120.015 -19.916 3.794 386 HZ PHE 50 HZ PHE 50 119.440 -19.420 1.464 387 H LYS 51 HN LYS 51 125.058 -15.743 2.846 388 HA LYS 51 HA LYS 51 125.656 -18.126 1.494 389 1HB LYS 51 HB2 LYS 51 126.136 -15.893 0.598 390 2HB LYS 51 HB1 LYS 51 127.311 -15.607 1.864 391 1HG LYS 51 HG2 LYS 51 128.676 -17.462 0.906 392 2HG LYS 51 HG1 LYS 51 127.526 -17.537 -0.433 393 1HD LYS 51 HD2 LYS 51 128.000 -15.205 -0.980 394 2HD LYS 51 HD1 LYS 51 129.128 -15.109 0.374 395 1HE LYS 51 HE2 LYS 51 130.490 -16.872 -0.671 396 2HE LYS 51 HE1 LYS 51 129.376 -16.907 -2.034 397 1HZ LYS 51 HZ1 LYS 51 131.269 -15.570 -2.583 398 2HZ LYS 51 HZ2 LYS 51 131.114 -14.659 -1.195 399 3HZ LYS 51 HZ3 LYS 51 129.946 -14.521 -2.417 400 H LYS 52 HN LYS 52 126.962 -16.838 4.432 401 HA LYS 52 HA LYS 52 129.287 -18.456 4.696 402 1HB LYS 52 HB2 LYS 52 127.590 -17.113 6.790 403 2HB LYS 52 HB1 LYS 52 129.157 -17.874 7.095 404 1HG LYS 52 HG2 LYS 52 130.262 -16.223 5.761 405 2HG LYS 52 HG1 LYS 52 128.711 -15.547 5.240 406 1HD LYS 52 HD2 LYS 52 128.194 -14.846 7.472 407 2HD LYS 52 HD1 LYS 52 129.600 -15.686 8.114 408 1HE LYS 52 HE2 LYS 52 129.948 -13.300 7.999 409 2HE LYS 52 HE1 LYS 52 131.071 -14.160 6.934 410 1HZ LYS 52 HZ1 LYS 52 128.637 -12.618 6.098 411 2HZ LYS 52 HZ2 LYS 52 129.643 -13.485 5.038 412 3HZ LYS 52 HZ3 LYS 52 130.237 -12.197 5.895 413 H SER 53 HN SER 53 125.994 -19.313 4.893 414 HA SER 53 HA SER 53 126.053 -21.142 7.026 415 1HB SER 53 HB2 SER 53 124.254 -21.200 4.601 416 2HB SER 53 HB1 SER 53 123.951 -21.976 6.160 417 HG SER 53 HG SER 53 123.764 -19.368 5.372 418 H LYS 54 HN LYS 54 126.829 -23.060 7.228 419 HA LYS 54 HA LYS 54 128.328 -24.160 5.007 420 1HB LYS 54 HB2 LYS 54 129.391 -25.611 6.715 421 2HB LYS 54 HB1 LYS 54 129.524 -23.902 7.081 422 1HG LYS 54 HG2 LYS 54 129.082 -24.934 9.148 423 2HG LYS 54 HG1 LYS 54 127.532 -24.256 8.660 424 1HD LYS 54 HD2 LYS 54 126.877 -26.499 7.807 425 2HD LYS 54 HD1 LYS 54 128.401 -27.143 8.417 426 1HE LYS 54 HE2 LYS 54 127.743 -26.448 10.689 427 2HE LYS 54 HE1 LYS 54 126.204 -25.876 10.049 428 1HZ LYS 54 HZ1 LYS 54 127.199 -28.671 10.029 429 2HZ LYS 54 HZ2 LYS 54 125.795 -28.203 9.272 430 3HZ LYS 54 HZ3 LYS 54 125.912 -28.079 10.961 431 H GLY 55 HN GLY 55 125.201 -24.587 5.878 432 1HA GLY 55 HA2 GLY 55 125.223 -27.323 4.927 433 2HA GLY 55 HA1 GLY 55 124.580 -27.057 6.542 434 HA PRO 56 HA PRO 56 121.648 -25.950 2.867 435 1HB PRO 56 HB2 PRO 56 120.278 -28.330 2.629 436 2HB PRO 56 HB1 PRO 56 121.612 -27.821 1.588 437 1HG PRO 56 HG2 PRO 56 121.623 -29.690 3.909 438 2HG PRO 56 HG1 PRO 56 122.525 -29.781 2.388 439 1HD PRO 56 HD2 PRO 56 123.647 -28.979 4.715 440 2HD PRO 56 HD1 PRO 56 124.172 -28.366 3.136 441 H GLN 57 HN GLN 57 121.234 -27.790 5.811 442 HA GLN 57 HA GLN 57 118.461 -27.289 6.127 443 1HB GLN 57 HB2 GLN 57 120.561 -27.926 8.215 444 2HB GLN 57 HB1 GLN 57 118.843 -27.829 8.544 445 1HG GLN 57 HG2 GLN 57 119.464 -30.139 8.350 446 2HG GLN 57 HG1 GLN 57 118.477 -29.708 6.959 447 1HE2 GLN 57 HE21 GLN 57 119.251 -31.349 5.681 448 2HE2 GLN 57 HE22 GLN 57 120.862 -31.393 5.069 449 H GLN 58 HN GLN 58 121.357 -25.709 7.264 450 HA GLN 58 HA GLN 58 120.195 -23.662 8.807 451 1HB GLN 58 HB2 GLN 58 122.620 -24.418 8.757 452 2HB GLN 58 HB1 GLN 58 122.787 -23.520 7.259 453 1HG GLN 58 HG2 GLN 58 123.654 -22.239 9.109 454 2HG GLN 58 HG1 GLN 58 122.216 -21.452 8.458 455 1HE2 GLN 58 HE21 GLN 58 121.928 -20.356 10.446 456 2HE2 GLN 58 HE22 GLN 58 121.271 -21.183 11.818 457 H ILE 59 HN ILE 59 120.889 -24.015 5.416 458 HA ILE 59 HA ILE 59 120.648 -21.416 4.460 459 HB ILE 59 HB ILE 59 119.629 -23.905 3.065 460 1HG1 ILE 59 HG12 ILE 59 121.957 -24.237 3.686 461 2HG1 ILE 59 HG11 ILE 59 121.817 -24.027 1.948 462 1HG2 ILE 59 HG21 ILE 59 119.999 -22.696 0.984 463 2HG2 ILE 59 HG22 ILE 59 120.497 -21.277 1.908 464 3HG2 ILE 59 HG23 ILE 59 118.844 -21.864 2.033 465 1HD1 ILE 59 HD11 ILE 59 123.757 -22.947 2.975 466 2HD1 ILE 59 HD12 ILE 59 122.671 -21.888 3.872 467 3HD1 ILE 59 HD13 ILE 59 122.724 -21.817 2.098 468 H HIS 60 HN HIS 60 118.144 -23.854 4.902 469 HA HIS 60 HA HIS 60 115.974 -22.444 3.813 470 1HB HIS 60 HB2 HIS 60 115.978 -24.544 5.966 471 2HB HIS 60 HB1 HIS 60 114.501 -23.875 5.293 472 HD1 HIS 60 HD1 HIS 60 113.785 -24.669 2.976 473 HD2 HIS 60 HD2 HIS 60 117.445 -26.177 4.205 474 HE1 HIS 60 HE1 HIS 60 114.338 -26.529 1.349 475 HE2 HIS 60 HE2 HIS 60 116.664 -27.280 2.023 476 H LEU 61 HN LEU 61 116.948 -22.642 7.175 477 HA LEU 61 HA LEU 61 114.816 -21.002 8.038 478 1HB LEU 61 HB2 LEU 61 115.913 -21.173 10.248 479 2HB LEU 61 HB1 LEU 61 115.589 -22.690 9.432 480 HG LEU 61 HG LEU 61 118.133 -22.220 8.665 481 1HD1 LEU 61 HD11 LEU 61 119.408 -21.632 10.652 482 2HD1 LEU 61 HD12 LEU 61 117.903 -21.231 11.485 483 3HD1 LEU 61 HD13 LEU 61 118.404 -20.307 10.067 484 1HD2 LEU 61 HD21 LEU 61 117.154 -23.766 11.068 485 2HD2 LEU 61 HD22 LEU 61 118.730 -23.968 10.287 486 3HD2 LEU 61 HD23 LEU 61 117.258 -24.321 9.391 487 H LYS 62 HN LYS 62 118.175 -20.363 7.319 488 HA LYS 62 HA LYS 62 117.974 -17.649 8.249 489 1HB LYS 62 HB2 LYS 62 120.099 -18.984 6.585 490 2HB LYS 62 HB1 LYS 62 120.145 -17.273 6.982 491 1HG LYS 62 HG2 LYS 62 120.214 -17.812 9.355 492 2HG LYS 62 HG1 LYS 62 120.131 -19.533 8.968 493 1HD LYS 62 HD2 LYS 62 122.416 -18.945 9.414 494 2HD LYS 62 HD1 LYS 62 122.241 -19.309 7.703 495 1HE LYS 62 HE2 LYS 62 123.665 -17.388 7.919 496 2HE LYS 62 HE1 LYS 62 122.126 -16.855 7.256 497 1HZ LYS 62 HZ1 LYS 62 121.533 -15.880 9.343 498 2HZ LYS 62 HZ2 LYS 62 123.148 -15.444 9.063 499 3HZ LYS 62 HZ3 LYS 62 122.795 -16.695 10.129 500 H ALA 63 HN ALA 63 117.489 -19.231 5.174 501 HA ALA 63 HA ALA 63 117.238 -16.859 3.669 502 1HB ALA 63 HB1 ALA 63 117.495 -19.137 2.657 503 2HB ALA 63 HB2 ALA 63 116.157 -18.220 1.989 504 3HB ALA 63 HB3 ALA 63 115.844 -19.492 3.185 505 H LYS 64 HN LYS 64 114.907 -18.930 5.339 506 HA LYS 64 HA LYS 64 112.551 -17.520 4.992 507 1HB LYS 64 HB2 LYS 64 113.620 -19.129 7.275 508 2HB LYS 64 HB1 LYS 64 112.105 -18.271 7.453 509 1HG LYS 64 HG2 LYS 64 112.633 -20.255 5.265 510 2HG LYS 64 HG1 LYS 64 111.927 -20.682 6.827 511 1HD LYS 64 HD2 LYS 64 110.168 -18.937 6.379 512 2HD LYS 64 HD1 LYS 64 110.810 -18.825 4.738 513 1HE LYS 64 HE2 LYS 64 110.337 -21.162 4.359 514 2HE LYS 64 HE1 LYS 64 109.805 -21.353 6.028 515 1HZ LYS 64 HZ1 LYS 64 107.916 -21.139 4.576 516 2HZ LYS 64 HZ2 LYS 64 108.491 -19.696 3.939 517 3HZ LYS 64 HZ3 LYS 64 107.992 -19.745 5.529 518 H ALA 65 HN ALA 65 115.088 -16.990 7.359 519 HA ALA 65 HA ALA 65 113.891 -14.955 8.833 520 1HB ALA 65 HB1 ALA 65 115.920 -16.130 9.558 521 2HB ALA 65 HB2 ALA 65 116.139 -14.382 9.596 522 3HB ALA 65 HB3 ALA 65 116.837 -15.328 8.284 523 H ILE 66 HN ILE 66 116.156 -14.650 6.097 524 HA ILE 66 HA ILE 66 115.976 -11.809 6.012 525 HB ILE 66 HB ILE 66 116.844 -13.716 3.811 526 1HG1 ILE 66 HG12 ILE 66 118.492 -12.244 5.876 527 2HG1 ILE 66 HG11 ILE 66 118.129 -13.966 5.899 528 1HG2 ILE 66 HG21 ILE 66 117.337 -10.752 4.159 529 2HG2 ILE 66 HG22 ILE 66 116.342 -11.523 2.909 530 3HG2 ILE 66 HG23 ILE 66 118.090 -11.770 2.927 531 1HD1 ILE 66 HD11 ILE 66 119.647 -12.571 3.719 532 2HD1 ILE 66 HD12 ILE 66 119.481 -14.325 3.919 533 3HD1 ILE 66 HD13 ILE 66 120.381 -13.349 5.095 534 H TYR 67 HN TYR 67 114.286 -14.395 4.407 535 HA TYR 67 HA TYR 67 112.806 -12.975 2.499 536 1HB TYR 67 HB2 TYR 67 112.946 -15.394 2.495 537 2HB TYR 67 HB1 TYR 67 112.165 -15.479 4.069 538 HD1 TYR 67 HD1 TYR 67 111.639 -14.565 0.525 539 HD2 TYR 67 HD2 TYR 67 109.840 -15.522 4.253 540 HE1 TYR 67 HE1 TYR 67 109.539 -14.661 -0.558 541 HE2 TYR 67 HE2 TYR 67 107.654 -15.655 3.183 542 HH TYR 67 HH TYR 67 107.156 -15.917 0.003 543 H GLU 68 HN GLU 68 111.794 -13.979 5.773 544 HA GLU 68 HA GLU 68 109.323 -12.551 5.533 545 1HB GLU 68 HB2 GLU 68 110.568 -13.862 7.925 546 2HB GLU 68 HB1 GLU 68 108.909 -13.305 7.785 547 1HG GLU 68 HG2 GLU 68 108.557 -14.908 5.949 548 2HG GLU 68 HG1 GLU 68 110.204 -15.493 6.166 549 H LYS 69 HN LYS 69 112.382 -11.674 6.461 550 HA LYS 69 HA LYS 69 111.451 -9.501 8.169 551 1HB LYS 69 HB2 LYS 69 113.343 -10.827 8.933 552 2HB LYS 69 HB1 LYS 69 114.236 -10.422 7.483 553 1HG LYS 69 HG2 LYS 69 114.331 -8.114 8.165 554 2HG LYS 69 HG1 LYS 69 113.390 -8.478 9.622 555 1HD LYS 69 HD2 LYS 69 115.160 -10.038 10.329 556 2HD LYS 69 HD1 LYS 69 116.088 -9.608 8.890 557 1HE LYS 69 HE2 LYS 69 116.164 -7.286 9.648 558 2HE LYS 69 HE1 LYS 69 115.260 -7.737 11.095 559 1HZ LYS 69 HZ1 LYS 69 117.570 -7.620 11.581 560 2HZ LYS 69 HZ2 LYS 69 117.964 -8.653 10.322 561 3HZ LYS 69 HZ3 LYS 69 117.123 -9.253 11.666 562 H PHE 70 HN PHE 70 112.314 -10.007 4.875 563 HA PHE 70 HA PHE 70 112.532 -7.112 4.487 564 1HB PHE 70 HB2 PHE 70 114.546 -9.118 3.476 565 2HB PHE 70 HB1 PHE 70 114.414 -7.480 2.870 566 HD1 PHE 70 HD1 PHE 70 115.942 -9.609 5.238 567 HD2 PHE 70 HD2 PHE 70 114.701 -5.590 4.616 568 HE1 PHE 70 HE1 PHE 70 117.522 -8.858 6.968 569 HE2 PHE 70 HE2 PHE 70 116.274 -4.831 6.344 570 HZ PHE 70 HZ PHE 70 117.688 -6.465 7.522 571 H ILE 71 HN ILE 71 112.544 -10.219 2.774 572 HA ILE 71 HA ILE 71 111.721 -9.195 0.301 573 HB ILE 71 HB ILE 71 111.497 -12.034 1.382 574 1HG1 ILE 71 HG12 ILE 71 113.747 -11.306 1.368 575 2HG1 ILE 71 HG11 ILE 71 113.543 -12.388 -0.004 576 1HG2 ILE 71 HG21 ILE 71 110.002 -11.556 -0.714 577 2HG2 ILE 71 HG22 ILE 71 110.992 -12.955 -0.671 578 3HG2 ILE 71 HG23 ILE 71 111.548 -11.546 -1.603 579 1HD1 ILE 71 HD11 ILE 71 113.378 -10.424 -1.495 580 2HD1 ILE 71 HD12 ILE 71 114.901 -10.487 -0.613 581 3HD1 ILE 71 HD13 ILE 71 113.632 -9.381 -0.100 582 H GLN 72 HN GLN 72 110.057 -10.163 3.097 583 HA GLN 72 HA GLN 72 107.398 -10.597 2.289 584 1HB GLN 72 HB2 GLN 72 108.706 -10.610 4.629 585 2HB GLN 72 HB1 GLN 72 108.032 -8.985 4.724 586 1HG GLN 72 HG2 GLN 72 106.505 -11.593 4.575 587 2HG GLN 72 HG1 GLN 72 106.777 -10.506 5.940 588 1HE2 GLN 72 HE21 GLN 72 104.331 -11.517 4.584 589 2HE2 GLN 72 HE22 GLN 72 103.389 -10.101 4.260 590 H THR 73 HN THR 73 105.954 -9.171 1.451 591 HA THR 73 HA THR 73 106.656 -6.858 0.227 592 HB THR 73 HB THR 73 103.926 -7.651 1.213 593 HG1 THR 73 HG1 THR 73 103.907 -8.309 -1.166 594 1HG2 THR 73 HG21 THR 73 104.751 -5.741 -0.978 595 2HG2 THR 73 HG22 THR 73 104.071 -5.319 0.593 596 3HG2 THR 73 HG23 THR 73 103.079 -6.205 -0.580 597 H ASP 74 HN ASP 74 105.139 -7.046 3.440 598 HA ASP 74 HA ASP 74 105.555 -4.147 3.741 599 1HB ASP 74 HB2 ASP 74 103.987 -6.062 5.487 600 2HB ASP 74 HB1 ASP 74 104.204 -4.349 5.820 601 H ALA 75 HN ALA 75 105.981 -7.174 5.393 602 HA ALA 75 HA ALA 75 107.543 -7.997 6.855 603 1HB ALA 75 HB1 ALA 75 109.295 -6.067 5.314 604 2HB ALA 75 HB2 ALA 75 108.888 -7.757 4.908 605 3HB ALA 75 HB3 ALA 75 109.861 -7.411 6.329 606 HA PRO 76 HA PRO 76 108.517 -5.120 10.269 607 1HB PRO 76 HB2 PRO 76 111.030 -5.849 11.054 608 2HB PRO 76 HB1 PRO 76 109.586 -6.770 11.492 609 1HG PRO 76 HG2 PRO 76 111.575 -7.281 9.324 610 2HG PRO 76 HG1 PRO 76 110.805 -8.429 10.437 611 1HD PRO 76 HD2 PRO 76 109.984 -8.117 7.889 612 2HD PRO 76 HD1 PRO 76 108.861 -8.511 9.206 613 H LYS 77 HN LYS 77 110.662 -5.606 7.607 614 HA LYS 77 HA LYS 77 111.344 -2.790 7.487 615 1HB LYS 77 HB2 LYS 77 113.357 -5.045 7.532 616 2HB LYS 77 HB1 LYS 77 113.712 -3.508 6.777 617 1HG LYS 77 HG2 LYS 77 112.870 -3.669 9.659 618 2HG LYS 77 HG1 LYS 77 114.541 -3.941 9.173 619 1HD LYS 77 HD2 LYS 77 114.299 -1.631 9.833 620 2HD LYS 77 HD1 LYS 77 114.539 -1.695 8.092 621 1HE LYS 77 HE2 LYS 77 112.069 -1.472 7.824 622 2HE LYS 77 HE1 LYS 77 111.951 -1.248 9.568 623 1HZ LYS 77 HZ1 LYS 77 113.485 0.495 7.708 624 2HZ LYS 77 HZ2 LYS 77 113.309 0.759 9.371 625 3HZ LYS 77 HZ3 LYS 77 111.974 0.835 8.339 626 H GLU 78 HN GLU 78 109.923 -2.664 5.748 627 HA GLU 78 HA GLU 78 109.909 -4.452 3.633 628 1HB GLU 78 HB2 GLU 78 108.524 -2.874 2.422 629 2HB GLU 78 HB1 GLU 78 108.025 -2.931 4.097 630 1HG GLU 78 HG2 GLU 78 109.644 -0.737 2.793 631 2HG GLU 78 HG1 GLU 78 107.933 -0.673 3.180 632 H VAL 79 HN VAL 79 110.739 -4.341 1.576 633 HA VAL 79 HA VAL 79 113.156 -2.673 1.280 634 HB VAL 79 HB VAL 79 112.454 -5.271 -0.155 635 1HG1 VAL 79 HG11 VAL 79 115.056 -3.775 -0.022 636 2HG1 VAL 79 HG12 VAL 79 113.982 -3.903 -1.425 637 3HG1 VAL 79 HG13 VAL 79 114.790 -5.341 -0.788 638 1HG2 VAL 79 HG21 VAL 79 114.446 -4.959 2.091 639 2HG2 VAL 79 HG22 VAL 79 113.989 -6.448 1.229 640 3HG2 VAL 79 HG23 VAL 79 112.823 -5.639 2.249 641 H ASN 80 HN ASN 80 113.354 -1.547 -0.744 642 HA ASN 80 HA ASN 80 110.873 -1.145 -2.179 643 1HB ASN 80 HB2 ASN 80 113.627 0.083 -2.434 644 2HB ASN 80 HB1 ASN 80 112.354 0.426 -3.596 645 1HD2 ASN 80 HD21 ASN 80 113.377 0.816 -0.279 646 2HD2 ASN 80 HD22 ASN 80 112.274 2.093 0.106 647 H LEU 81 HN LEU 81 111.969 -3.708 -2.258 648 HA LEU 81 HA LEU 81 113.247 -4.381 -4.725 649 1HB LEU 81 HB2 LEU 81 113.377 -5.727 -2.679 650 2HB LEU 81 HB1 LEU 81 111.652 -6.042 -2.758 651 HG LEU 81 HG LEU 81 112.197 -7.162 -5.029 652 1HD1 LEU 81 HD11 LEU 81 114.932 -7.093 -3.852 653 2HD1 LEU 81 HD12 LEU 81 114.384 -6.223 -5.289 654 3HD1 LEU 81 HD13 LEU 81 114.416 -7.988 -5.275 655 1HD2 LEU 81 HD21 LEU 81 111.543 -8.413 -3.008 656 2HD2 LEU 81 HD22 LEU 81 113.213 -8.428 -2.458 657 3HD2 LEU 81 HD23 LEU 81 112.764 -9.271 -3.930 658 H ASP 82 HN ASP 82 112.243 -5.065 -6.620 659 HA ASP 82 HA ASP 82 109.580 -4.261 -7.110 660 1HB ASP 82 HB2 ASP 82 109.859 -5.192 -9.340 661 2HB ASP 82 HB1 ASP 82 111.329 -4.340 -8.903 662 H PHE 83 HN PHE 83 108.151 -6.002 -8.401 663 HA PHE 83 HA PHE 83 107.428 -7.820 -6.259 664 1HB PHE 83 HB2 PHE 83 105.785 -6.215 -7.292 665 2HB PHE 83 HB1 PHE 83 105.883 -7.162 -8.770 666 HD1 PHE 83 HD1 PHE 83 104.394 -8.912 -9.087 667 HD2 PHE 83 HD2 PHE 83 105.117 -7.491 -5.147 668 HE1 PHE 83 HE1 PHE 83 102.609 -10.369 -8.236 669 HE2 PHE 83 HE2 PHE 83 103.334 -8.949 -4.288 670 HZ PHE 83 HZ PHE 83 102.077 -10.391 -5.834 671 H HIS 84 HN HIS 84 108.797 -7.882 -9.420 672 HA HIS 84 HA HIS 84 108.077 -10.610 -9.908 673 1HB HIS 84 HB2 HIS 84 108.328 -9.162 -11.836 674 2HB HIS 84 HB1 HIS 84 109.983 -8.778 -11.384 675 HD1 HIS 84 HD1 HIS 84 107.946 -11.839 -12.477 676 HD2 HIS 84 HD2 HIS 84 111.827 -10.357 -12.528 677 HE1 HIS 84 HE1 HIS 84 109.280 -13.507 -13.765 678 HE2 HIS 84 HE2 HIS 84 111.527 -12.457 -14.038 679 H THR 85 HN THR 85 110.991 -8.927 -8.832 680 HA THR 85 HA THR 85 112.595 -11.215 -8.676 681 HB THR 85 HB THR 85 112.727 -8.725 -6.950 682 HG1 THR 85 HG1 THR 85 113.328 -7.923 -8.739 683 1HG2 THR 85 HG21 THR 85 114.803 -10.880 -7.428 684 2HG2 THR 85 HG22 THR 85 113.954 -10.581 -5.907 685 3HG2 THR 85 HG23 THR 85 115.075 -9.395 -6.520 686 H LYS 86 HN LYS 86 110.519 -9.702 -6.199 687 HA LYS 86 HA LYS 86 111.103 -11.656 -4.264 688 1HB LYS 86 HB2 LYS 86 109.125 -10.922 -3.000 689 2HB LYS 86 HB1 LYS 86 110.084 -9.570 -3.575 690 1HG LYS 86 HG2 LYS 86 108.475 -8.993 -5.200 691 2HG LYS 86 HG1 LYS 86 107.602 -10.509 -4.974 692 1HD LYS 86 HD2 LYS 86 106.443 -8.635 -3.887 693 2HD LYS 86 HD1 LYS 86 106.978 -9.834 -2.714 694 1HE LYS 86 HE2 LYS 86 107.411 -7.640 -1.833 695 2HE LYS 86 HE1 LYS 86 108.946 -8.403 -2.226 696 1HZ LYS 86 HZ1 LYS 86 107.531 -6.340 -3.830 697 2HZ LYS 86 HZ2 LYS 86 108.990 -7.063 -4.309 698 3HZ LYS 86 HZ3 LYS 86 108.915 -6.127 -2.907 699 H GLU 87 HN GLU 87 108.818 -11.594 -6.844 700 HA GLU 87 HA GLU 87 107.213 -13.795 -6.227 701 1HB GLU 87 HB2 GLU 87 106.936 -12.279 -8.192 702 2HB GLU 87 HB1 GLU 87 108.298 -13.092 -8.952 703 1HG GLU 87 HG2 GLU 87 106.398 -14.069 -9.876 704 2HG GLU 87 HG1 GLU 87 107.028 -15.205 -8.674 705 H VAL 88 HN VAL 88 110.240 -13.698 -8.075 706 HA VAL 88 HA VAL 88 110.401 -16.496 -8.363 707 HB VAL 88 HB VAL 88 112.623 -14.438 -8.609 708 1HG1 VAL 88 HG11 VAL 88 113.722 -16.104 -10.039 709 2HG1 VAL 88 HG12 VAL 88 112.418 -17.248 -9.698 710 3HG1 VAL 88 HG13 VAL 88 113.487 -16.717 -8.402 711 1HG2 VAL 88 HG21 VAL 88 110.717 -13.949 -10.064 712 2HG2 VAL 88 HG22 VAL 88 110.758 -15.585 -10.690 713 3HG2 VAL 88 HG23 VAL 88 112.102 -14.486 -11.018 714 H ILE 89 HN ILE 89 111.614 -14.269 -5.960 715 HA ILE 89 HA ILE 89 113.204 -16.056 -4.473 716 HB ILE 89 HB ILE 89 111.563 -13.703 -3.496 717 1HG1 ILE 89 HG12 ILE 89 114.495 -13.921 -4.178 718 2HG1 ILE 89 HG11 ILE 89 113.263 -13.161 -5.180 719 1HG2 ILE 89 HG21 ILE 89 112.106 -15.241 -1.626 720 2HG2 ILE 89 HG22 ILE 89 112.887 -13.695 -1.479 721 3HG2 ILE 89 HG23 ILE 89 113.825 -15.096 -2.026 722 1HD1 ILE 89 HD11 ILE 89 112.843 -11.604 -3.249 723 2HD1 ILE 89 HD12 ILE 89 114.391 -11.445 -4.090 724 3HD1 ILE 89 HD13 ILE 89 114.314 -12.267 -2.528 725 H THR 90 HN THR 90 109.746 -15.240 -4.220 726 HA THR 90 HA THR 90 109.265 -16.957 -2.060 727 HB THR 90 HB THR 90 106.862 -16.726 -2.547 728 HG1 THR 90 HG1 THR 90 107.811 -15.791 -5.058 729 1HG2 THR 90 HG21 THR 90 107.993 -14.830 -1.437 730 2HG2 THR 90 HG22 THR 90 106.688 -14.269 -2.490 731 3HG2 THR 90 HG23 THR 90 108.362 -14.143 -3.011 732 H ASN 91 HN ASN 91 109.631 -17.626 -5.393 733 HA ASN 91 HA ASN 91 108.498 -20.281 -5.319 734 1HB ASN 91 HB2 ASN 91 110.468 -19.065 -7.282 735 2HB ASN 91 HB1 ASN 91 109.660 -20.608 -7.485 736 1HD2 ASN 91 HD21 ASN 91 107.072 -19.676 -6.562 737 2HD2 ASN 91 HD22 ASN 91 106.479 -18.611 -7.775 738 H SER 92 HN SER 92 111.776 -18.913 -5.377 739 HA SER 92 HA SER 92 112.943 -21.507 -4.884 740 1HB SER 92 HB2 SER 92 114.209 -18.802 -5.317 741 2HB SER 92 HB1 SER 92 115.037 -20.361 -5.340 742 HG SER 92 HG SER 92 113.101 -20.687 -7.018 743 H ILE 93 HN ILE 93 111.455 -19.732 -2.744 744 HA ILE 93 HA ILE 93 113.629 -19.546 -0.810 745 HB ILE 93 HB ILE 93 111.950 -17.672 -0.995 746 1HG1 ILE 93 HG12 ILE 93 111.634 -17.369 1.458 747 2HG1 ILE 93 HG11 ILE 93 112.201 -19.021 1.690 748 1HG2 ILE 93 HG21 ILE 93 110.023 -19.505 0.412 749 2HG2 ILE 93 HG22 ILE 93 109.992 -19.148 -1.300 750 3HG2 ILE 93 HG23 ILE 93 109.753 -17.827 -0.131 751 1HD1 ILE 93 HD11 ILE 93 113.980 -17.419 2.082 752 2HD1 ILE 93 HD12 ILE 93 113.765 -16.765 0.462 753 3HD1 ILE 93 HD13 ILE 93 114.342 -18.419 0.677 754 H THR 94 HN THR 94 110.919 -21.506 -1.555 755 HA THR 94 HA THR 94 110.889 -22.972 0.872 756 HB THR 94 HB THR 94 108.928 -23.038 -0.605 757 HG1 THR 94 HG1 THR 94 109.026 -24.826 0.665 758 1HG2 THR 94 HG21 THR 94 108.943 -24.274 -2.729 759 2HG2 THR 94 HG22 THR 94 110.675 -24.567 -2.539 760 3HG2 THR 94 HG23 THR 94 110.081 -22.923 -2.757 761 H GLN 95 HN GLN 95 112.873 -23.085 -1.940 762 HA GLN 95 HA GLN 95 114.559 -25.054 -0.664 763 1HB GLN 95 HB2 GLN 95 113.833 -25.166 -3.615 764 2HB GLN 95 HB1 GLN 95 115.051 -26.153 -2.831 765 1HG GLN 95 HG2 GLN 95 113.283 -27.178 -1.455 766 2HG GLN 95 HG1 GLN 95 112.089 -26.224 -2.331 767 1HE2 GLN 95 HE21 GLN 95 113.497 -26.507 -4.888 768 2HE2 GLN 95 HE22 GLN 95 113.248 -28.129 -5.402 769 HA PRO 96 HA PRO 96 116.677 -21.252 -2.167 770 1HB PRO 96 HB2 PRO 96 117.582 -20.374 0.140 771 2HB PRO 96 HB1 PRO 96 115.870 -20.183 -0.265 772 1HG PRO 96 HG2 PRO 96 117.175 -22.204 1.516 773 2HG PRO 96 HG1 PRO 96 115.673 -21.296 1.769 774 1HD PRO 96 HD2 PRO 96 115.759 -23.898 0.808 775 2HD PRO 96 HD1 PRO 96 114.445 -22.752 0.532 776 H THR 97 HN THR 97 118.690 -20.806 -2.480 777 HA THR 97 HA THR 97 120.690 -22.725 -1.559 778 HB THR 97 HB THR 97 121.067 -21.013 -4.005 779 HG1 THR 97 HG1 THR 97 118.956 -21.872 -4.232 780 1HG2 THR 97 HG21 THR 97 122.193 -23.036 -4.783 781 2HG2 THR 97 HG22 THR 97 121.624 -23.884 -3.338 782 3HG2 THR 97 HG23 THR 97 122.795 -22.565 -3.182 783 H LEU 98 HN LEU 98 122.978 -21.242 -1.957 784 HA LEU 98 HA LEU 98 123.152 -19.525 0.196 785 1HB LEU 98 HB2 LEU 98 124.853 -20.072 -2.125 786 2HB LEU 98 HB1 LEU 98 125.128 -18.533 -1.350 787 HG LEU 98 HG LEU 98 125.619 -19.630 0.754 788 1HD1 LEU 98 HD11 LEU 98 125.126 -22.217 -0.708 789 2HD1 LEU 98 HD12 LEU 98 124.183 -21.543 0.637 790 3HD1 LEU 98 HD13 LEU 98 125.848 -22.046 0.896 791 1HD2 LEU 98 HD21 LEU 98 127.410 -19.222 -0.803 792 2HD2 LEU 98 HD22 LEU 98 127.128 -20.783 -1.574 793 3HD2 LEU 98 HD23 LEU 98 127.699 -20.712 0.095 794 H HIS 99 HN HIS 99 122.403 -18.607 -3.107 795 HA HIS 99 HA HIS 99 121.609 -16.075 -1.925 796 1HB HIS 99 HB2 HIS 99 123.020 -16.366 -4.584 797 2HB HIS 99 HB1 HIS 99 122.167 -14.912 -4.091 798 HD1 HIS 99 HD1 HIS 99 125.412 -15.853 -4.468 799 HD2 HIS 99 HD2 HIS 99 123.384 -14.318 -1.187 800 HE1 HIS 99 HE1 HIS 99 127.167 -14.770 -3.022 801 HE2 HIS 99 HE2 HIS 99 125.850 -13.516 -1.319 802 H SER 100 HN SER 100 119.675 -17.397 -1.716 803 HA SER 100 HA SER 100 118.025 -17.838 -3.977 804 1HB SER 100 HB2 SER 100 117.577 -18.844 -1.719 805 2HB SER 100 HB1 SER 100 117.206 -17.262 -1.073 806 HG SER 100 HG SER 100 115.602 -18.963 -2.438 807 H PHE 101 HN PHE 101 118.956 -15.132 -2.181 808 HA PHE 101 HA PHE 101 116.943 -13.299 -3.238 809 1HB PHE 101 HB2 PHE 101 119.261 -12.731 -1.381 810 2HB PHE 101 HB1 PHE 101 117.806 -11.768 -1.616 811 HD1 PHE 101 HD1 PHE 101 119.290 -14.627 0.080 812 HD2 PHE 101 HD2 PHE 101 115.673 -12.516 -0.662 813 HE1 PHE 101 HE1 PHE 101 118.229 -15.803 1.943 814 HE2 PHE 101 HE2 PHE 101 114.616 -13.693 1.218 815 HZ PHE 101 HZ PHE 101 115.891 -15.341 2.510 816 H ASP 102 HN ASP 102 119.159 -14.656 -4.783 817 HA ASP 102 HA ASP 102 121.401 -13.235 -5.386 818 1HB ASP 102 HB2 ASP 102 120.916 -15.385 -6.389 819 2HB ASP 102 HB1 ASP 102 119.639 -14.666 -7.365 820 H ALA 103 HN ALA 103 118.280 -12.714 -6.981 821 HA ALA 103 HA ALA 103 119.344 -10.572 -8.595 822 1HB ALA 103 HB1 ALA 103 116.519 -11.539 -8.239 823 2HB ALA 103 HB2 ALA 103 117.645 -12.102 -9.476 824 3HB ALA 103 HB3 ALA 103 117.077 -10.428 -9.488 825 H ALA 104 HN ALA 104 117.617 -10.972 -5.669 826 HA ALA 104 HA ALA 104 116.555 -8.357 -5.523 827 1HB ALA 104 HB1 ALA 104 115.580 -10.191 -4.357 828 2HB ALA 104 HB2 ALA 104 115.987 -8.881 -3.247 829 3HB ALA 104 HB3 ALA 104 116.996 -10.351 -3.298 830 H GLN 105 HN GLN 105 119.538 -9.811 -4.465 831 HA GLN 105 HA GLN 105 120.606 -7.721 -2.907 832 1HB GLN 105 HB2 GLN 105 122.154 -9.398 -4.887 833 2HB GLN 105 HB1 GLN 105 122.794 -8.572 -3.479 834 1HG GLN 105 HG2 GLN 105 121.660 -10.077 -2.018 835 2HG GLN 105 HG1 GLN 105 120.840 -10.848 -3.380 836 1HE2 GLN 105 HE21 GLN 105 122.117 -11.906 -4.894 837 2HE2 GLN 105 HE22 GLN 105 123.625 -12.636 -4.511 838 H SER 106 HN SER 106 120.799 -8.378 -6.383 839 HA SER 106 HA SER 106 122.221 -6.126 -7.149 840 1HB SER 106 HB2 SER 106 120.242 -7.774 -8.720 841 2HB SER 106 HB1 SER 106 121.492 -6.722 -9.396 842 HG SER 106 HG SER 106 123.042 -7.991 -8.413 843 H ARG 107 HN ARG 107 118.716 -6.674 -6.899 844 HA ARG 107 HA ARG 107 117.826 -4.210 -7.897 845 1HB ARG 107 HB2 ARG 107 116.661 -6.063 -5.844 846 2HB ARG 107 HB1 ARG 107 115.894 -4.531 -6.220 847 1HG ARG 107 HG2 ARG 107 116.428 -6.763 -8.169 848 2HG ARG 107 HG1 ARG 107 114.878 -6.365 -7.410 849 1HD ARG 107 HD2 ARG 107 114.961 -4.133 -8.441 850 2HD ARG 107 HD1 ARG 107 116.478 -4.561 -9.228 851 HE ARG 107 HE ARG 107 114.022 -6.061 -9.681 852 1HH1 ARG 107 HH11 ARG 107 116.555 -3.961 -10.875 853 2HH1 ARG 107 HH12 ARG 107 116.363 -4.274 -12.522 854 1HH2 ARG 107 HH21 ARG 107 113.657 -6.565 -12.054 855 2HH2 ARG 107 HH22 ARG 107 114.673 -5.800 -13.199 856 H VAL 108 HN VAL 108 118.560 -5.109 -4.582 857 HA VAL 108 HA VAL 108 118.071 -2.554 -3.519 858 HB VAL 108 HB VAL 108 119.673 -4.879 -2.422 859 1HG1 VAL 108 HG11 VAL 108 120.347 -2.790 -1.303 860 2HG1 VAL 108 HG12 VAL 108 119.381 -3.824 -0.246 861 3HG1 VAL 108 HG13 VAL 108 118.638 -2.419 -1.034 862 1HG2 VAL 108 HG21 VAL 108 117.638 -5.282 -1.149 863 2HG2 VAL 108 HG22 VAL 108 117.359 -5.305 -2.902 864 3HG2 VAL 108 HG23 VAL 108 116.884 -3.901 -1.960 865 H TYR 109 HN TYR 109 121.025 -4.126 -4.529 866 HA TYR 109 HA TYR 109 122.856 -2.147 -3.972 867 1HB TYR 109 HB2 TYR 109 123.816 -4.093 -4.641 868 2HB TYR 109 HB1 TYR 109 122.635 -4.401 -5.882 869 HD1 TYR 109 HD1 TYR 109 122.960 -3.389 -8.124 870 HD2 TYR 109 HD2 TYR 109 125.891 -2.996 -5.077 871 HE1 TYR 109 HE1 TYR 109 124.594 -2.832 -9.815 872 HE2 TYR 109 HE2 TYR 109 127.577 -2.425 -6.772 873 HH TYR 109 HH TYR 109 127.872 -2.955 -9.201 874 H GLN 110 HN GLN 110 120.869 -2.453 -6.946 875 HA GLN 110 HA GLN 110 121.921 0.006 -7.902 876 1HB GLN 110 HB2 GLN 110 120.122 -0.087 -9.654 877 2HB GLN 110 HB1 GLN 110 121.205 -1.465 -9.612 878 1HG GLN 110 HG2 GLN 110 119.602 -2.836 -8.677 879 2HG GLN 110 HG1 GLN 110 118.525 -1.521 -8.257 880 1HE2 GLN 110 HE21 GLN 110 119.692 -3.627 -10.753 881 2HE2 GLN 110 HE22 GLN 110 118.545 -3.187 -11.956 882 H LEU 111 HN LEU 111 119.180 -0.799 -5.917 883 HA LEU 111 HA LEU 111 117.645 1.516 -6.023 884 1HB LEU 111 HB2 LEU 111 118.335 -0.156 -3.600 885 2HB LEU 111 HB1 LEU 111 117.143 1.120 -3.587 886 HG LEU 111 HG LEU 111 116.968 -1.413 -5.217 887 1HD1 LEU 111 HD11 LEU 111 115.250 -2.067 -3.606 888 2HD1 LEU 111 HD12 LEU 111 115.536 -0.589 -2.692 889 3HD1 LEU 111 HD13 LEU 111 116.800 -1.812 -2.796 890 1HD2 LEU 111 HD21 LEU 111 114.965 0.781 -4.706 891 2HD2 LEU 111 HD22 LEU 111 114.661 -0.713 -5.595 892 3HD2 LEU 111 HD23 LEU 111 115.798 0.476 -6.230 893 H MET 112 HN MET 112 120.204 0.854 -3.590 894 HA MET 112 HA MET 112 120.170 3.645 -3.085 895 1HB MET 112 HB2 MET 112 121.975 3.348 -1.405 896 2HB MET 112 HB1 MET 112 120.546 2.382 -1.099 897 1HG MET 112 HG2 MET 112 122.830 1.136 -2.511 898 2HG MET 112 HG1 MET 112 122.978 1.484 -0.790 899 1HE MET 112 HE1 MET 112 123.293 -1.371 -1.956 900 2HE MET 112 HE2 MET 112 122.268 -2.327 -0.894 901 3HE MET 112 HE3 MET 112 123.320 -1.084 -0.209 902 H GLU 113 HN GLU 113 121.825 1.869 -5.369 903 HA GLU 113 HA GLU 113 124.036 3.604 -5.600 904 1HB GLU 113 HB2 GLU 113 123.933 1.490 -6.867 905 2HB GLU 113 HB1 GLU 113 122.592 2.123 -7.816 906 1HG GLU 113 HG2 GLU 113 124.045 3.877 -8.702 907 2HG GLU 113 HG1 GLU 113 125.386 3.235 -7.758 908 H GLN 114 HN GLN 114 121.009 3.640 -7.521 909 HA GLN 114 HA GLN 114 121.695 6.161 -8.550 910 1HB GLN 114 HB2 GLN 114 119.351 6.195 -9.534 911 2HB GLN 114 HB1 GLN 114 120.412 4.898 -10.032 912 1HG GLN 114 HG2 GLN 114 118.281 3.947 -9.771 913 2HG GLN 114 HG1 GLN 114 119.209 3.430 -8.374 914 1HE2 GLN 114 HE21 GLN 114 117.333 2.986 -7.277 915 2HE2 GLN 114 HE22 GLN 114 116.309 4.201 -6.607 916 H ASP 115 HN ASP 115 119.737 5.299 -5.825 917 HA ASP 115 HA ASP 115 118.794 8.032 -5.618 918 1HB ASP 115 HB2 ASP 115 117.290 6.151 -5.087 919 2HB ASP 115 HB1 ASP 115 118.342 5.729 -3.736 920 H SER 116 HN SER 116 120.873 5.870 -3.714 921 HA SER 116 HA SER 116 121.329 8.043 -1.857 922 1HB SER 116 HB2 SER 116 120.733 5.785 -1.029 923 2HB SER 116 HB1 SER 116 122.239 5.168 -1.694 924 HG SER 116 HG SER 116 121.727 6.698 0.536 925 H TYR 117 HN TYR 117 123.299 5.995 -4.060 926 HA TYR 117 HA TYR 117 125.831 6.748 -3.169 927 1HB TYR 117 HB2 TYR 117 125.707 4.847 -4.468 928 2HB TYR 117 HB1 TYR 117 124.732 5.652 -5.709 929 HD1 TYR 117 HD1 TYR 117 128.225 5.683 -4.296 930 HD2 TYR 117 HD2 TYR 117 125.703 6.124 -7.689 931 HE1 TYR 117 HE1 TYR 117 130.205 5.810 -5.761 932 HE2 TYR 117 HE2 TYR 117 127.660 6.260 -9.147 933 HH TYR 117 HH TYR 117 129.967 6.822 -9.016 934 H THR 118 HN THR 118 123.812 8.241 -5.564 935 HA THR 118 HA THR 118 125.677 10.121 -6.499 936 HB THR 118 HB THR 118 123.505 11.367 -7.164 937 HG1 THR 118 HG1 THR 118 121.918 9.229 -6.919 938 1HG2 THR 118 HG21 THR 118 123.908 8.479 -7.959 939 2HG2 THR 118 HG22 THR 118 124.738 9.864 -8.671 940 3HG2 THR 118 HG23 THR 118 122.994 9.672 -8.883 941 H ARG 119 HN ARG 119 123.310 10.262 -3.896 942 HA ARG 119 HA ARG 119 123.992 12.949 -3.143 943 1HB ARG 119 HB2 ARG 119 122.250 10.862 -1.823 944 2HB ARG 119 HB1 ARG 119 122.632 12.372 -1.025 945 1HG ARG 119 HG2 ARG 119 120.444 12.494 -2.052 946 2HG ARG 119 HG1 ARG 119 121.544 13.604 -2.859 947 1HD ARG 119 HD2 ARG 119 121.814 12.028 -4.684 948 2HD ARG 119 HD1 ARG 119 120.792 10.863 -3.852 949 HE ARG 119 HE ARG 119 119.312 13.185 -4.128 950 1HH1 ARG 119 HH11 ARG 119 120.846 10.811 -6.248 951 2HH1 ARG 119 HH12 ARG 119 119.734 10.944 -7.513 952 1HH2 ARG 119 HH21 ARG 119 117.641 13.330 -5.866 953 2HH2 ARG 119 HH22 ARG 119 117.877 12.389 -7.269 954 H PHE 120 HN PHE 120 124.968 9.747 -2.202 955 HA PHE 120 HA PHE 120 126.515 10.373 0.035 956 1HB PHE 120 HB2 PHE 120 126.214 8.051 -0.400 957 2HB PHE 120 HB1 PHE 120 126.753 8.208 -2.065 958 HD1 PHE 120 HD1 PHE 120 127.944 8.144 1.475 959 HD2 PHE 120 HD2 PHE 120 129.022 7.966 -2.644 960 HE1 PHE 120 HE1 PHE 120 130.270 7.420 2.079 961 HE2 PHE 120 HE2 PHE 120 131.282 7.265 -2.030 962 HZ PHE 120 HZ PHE 120 131.893 6.997 0.330 963 H LEU 121 HN LEU 121 127.346 10.287 -3.399 964 HA LEU 121 HA LEU 121 129.978 11.133 -3.102 965 1HB LEU 121 HB2 LEU 121 128.114 11.504 -5.434 966 2HB LEU 121 HB1 LEU 121 129.836 11.828 -5.483 967 HG LEU 121 HG LEU 121 128.556 9.138 -5.005 968 1HD1 LEU 121 HD11 LEU 121 130.087 10.219 -7.354 969 2HD1 LEU 121 HD12 LEU 121 128.353 9.911 -7.295 970 3HD1 LEU 121 HD13 LEU 121 129.491 8.568 -7.174 971 1HD2 LEU 121 HD21 LEU 121 131.463 9.902 -5.249 972 2HD2 LEU 121 HD22 LEU 121 130.839 8.254 -5.116 973 3HD2 LEU 121 HD23 LEU 121 130.660 9.386 -3.774 974 H LYS 122 HN LYS 122 127.038 12.979 -3.097 975 HA LYS 122 HA LYS 122 128.678 15.384 -2.963 976 1HB LYS 122 HB2 LYS 122 125.788 14.996 -3.522 977 2HB LYS 122 HB1 LYS 122 126.349 16.547 -2.908 978 1HG LYS 122 HG2 LYS 122 127.370 15.169 -5.377 979 2HG LYS 122 HG1 LYS 122 126.244 16.533 -5.334 980 1HD LYS 122 HD2 LYS 122 127.937 17.887 -4.190 981 2HD LYS 122 HD1 LYS 122 129.058 16.529 -4.250 982 1HE LYS 122 HE2 LYS 122 129.578 18.080 -5.970 983 2HE LYS 122 HE1 LYS 122 128.965 16.598 -6.695 984 1HZ LYS 122 HZ1 LYS 122 126.786 17.724 -7.004 985 2HZ LYS 122 HZ2 LYS 122 128.035 18.578 -7.758 986 3HZ LYS 122 HZ3 LYS 122 127.435 19.137 -6.323 987 H SER 123 HN SER 123 127.716 13.285 -0.632 988 HA SER 123 HA SER 123 126.774 15.224 1.250 989 1HB SER 123 HB2 SER 123 126.925 13.387 2.851 990 2HB SER 123 HB1 SER 123 126.135 12.835 1.374 991 HG SER 123 HG SER 123 128.115 11.895 0.734 992 H ASP 124 HN ASP 124 127.974 15.794 3.192 993 HA ASP 124 HA ASP 124 130.697 16.391 2.640 994 1HB ASP 124 HB2 ASP 124 129.144 16.613 5.228 995 2HB ASP 124 HB1 ASP 124 130.853 17.010 5.123 996 H ILE 125 HN ILE 125 129.170 13.647 3.704 997 HA ILE 125 HA ILE 125 131.150 12.289 5.160 998 HB ILE 125 HB ILE 125 128.916 11.416 3.346 999 1HG1 ILE 125 HG12 ILE 125 128.090 10.227 5.461 1000 2HG1 ILE 125 HG11 ILE 125 129.339 11.118 6.312 1001 1HG2 ILE 125 HG21 ILE 125 130.858 9.433 4.472 1002 2HG2 ILE 125 HG22 ILE 125 130.411 9.825 2.794 1003 3HG2 ILE 125 HG23 ILE 125 129.236 9.059 3.845 1004 1HD1 ILE 125 HD11 ILE 125 128.312 13.217 5.612 1005 2HD1 ILE 125 HD12 ILE 125 127.184 12.204 6.515 1006 3HD1 ILE 125 HD13 ILE 125 127.059 12.317 4.758 1007 H TYR 126 HN TYR 126 130.366 11.964 1.683 1008 HA TYR 126 HA TYR 126 132.810 10.670 1.117 1009 1HB TYR 126 HB2 TYR 126 130.878 10.358 -0.340 1010 2HB TYR 126 HB1 TYR 126 130.934 12.054 -0.804 1011 HD1 TYR 126 HD1 TYR 126 131.938 12.562 -2.803 1012 HD2 TYR 126 HD2 TYR 126 133.182 9.082 -0.716 1013 HE1 TYR 126 HE1 TYR 126 133.478 12.031 -4.627 1014 HE2 TYR 126 HE2 TYR 126 134.716 8.515 -2.511 1015 HH TYR 126 HH TYR 126 135.214 9.013 -4.695 1016 H LEU 127 HN LEU 127 131.823 14.018 0.948 1017 HA LEU 127 HA LEU 127 134.253 14.843 -0.217 1018 1HB LEU 127 HB2 LEU 127 131.995 16.323 1.052 1019 2HB LEU 127 HB1 LEU 127 133.519 17.169 0.814 1020 HG LEU 127 HG LEU 127 131.982 17.663 -0.947 1021 1HD1 LEU 127 HD11 LEU 127 134.292 17.573 -1.593 1022 2HD1 LEU 127 HD12 LEU 127 133.278 17.001 -2.919 1023 3HD1 LEU 127 HD13 LEU 127 134.163 15.846 -1.923 1024 1HD2 LEU 127 HD21 LEU 127 131.126 15.968 -2.494 1025 2HD2 LEU 127 HD22 LEU 127 130.565 15.702 -0.844 1026 3HD2 LEU 127 HD23 LEU 127 131.864 14.711 -1.502 1027 H ASP 128 HN ASP 128 133.539 13.900 2.971 1028 HA ASP 128 HA ASP 128 135.773 15.252 4.189 1029 1HB ASP 128 HB2 ASP 128 133.762 14.479 5.498 1030 2HB ASP 128 HB1 ASP 128 134.235 12.820 5.174 1031 H LEU 129 HN LEU 129 135.131 12.255 2.575 1032 HA LEU 129 HA LEU 129 137.740 11.110 3.084 1033 1HB LEU 129 HB2 LEU 129 136.120 10.292 0.643 1034 2HB LEU 129 HB1 LEU 129 137.178 9.413 1.660 1035 HG LEU 129 HG LEU 129 134.577 10.346 2.787 1036 1HD1 LEU 129 HD11 LEU 129 135.202 7.795 1.338 1037 2HD1 LEU 129 HD12 LEU 129 134.063 9.043 0.838 1038 3HD1 LEU 129 HD13 LEU 129 133.747 8.088 2.290 1039 1HD2 LEU 129 HD21 LEU 129 136.313 9.664 4.372 1040 2HD2 LEU 129 HD22 LEU 129 136.499 8.132 3.516 1041 3HD2 LEU 129 HD23 LEU 129 134.985 8.501 4.344 1042 H MET 130 HN MET 130 136.329 13.297 0.873 1043 HA MET 130 HA MET 130 138.426 13.217 -1.107 1044 1HB MET 130 HB2 MET 130 136.143 15.153 -0.742 1045 2HB MET 130 HB1 MET 130 137.283 15.225 -2.063 1046 1HG MET 130 HG2 MET 130 135.385 12.933 -1.535 1047 2HG MET 130 HG1 MET 130 135.107 14.251 -2.659 1048 1HE MET 130 HE1 MET 130 138.177 10.844 -3.212 1049 2HE MET 130 HE2 MET 130 136.863 10.824 -2.038 1050 3HE MET 130 HE3 MET 130 138.227 11.925 -1.815 1051 H GLU 131 HN GLU 131 137.227 15.950 0.851 1052 HA GLU 131 HA GLU 131 139.948 17.082 0.719 1053 1HB GLU 131 HB2 GLU 131 137.364 18.615 0.841 1054 2HB GLU 131 HB1 GLU 131 138.964 19.215 0.433 1055 1HG GLU 131 HG2 GLU 131 138.926 17.907 -1.631 1056 2HG GLU 131 HG1 GLU 131 137.319 17.314 -1.221 1057 H GLY 132 HN GLY 132 138.011 15.571 2.739 1058 1HA GLY 132 HA2 GLY 132 137.758 17.462 4.897 1059 2HA GLY 132 HA1 GLY 132 137.300 15.765 4.925 1060 H ARG 133 HN ARG 133 139.994 14.979 3.931 1061 HA ARG 133 HA ARG 133 141.480 15.432 6.413 1062 1HB ARG 133 HB2 ARG 133 141.374 12.991 4.634 1063 2HB ARG 133 HB1 ARG 133 142.533 13.210 5.930 1064 1HG ARG 133 HG2 ARG 133 139.587 13.315 6.434 1065 2HG ARG 133 HG1 ARG 133 140.452 11.785 6.354 1066 1HD ARG 133 HD2 ARG 133 140.188 12.592 8.663 1067 2HD ARG 133 HD1 ARG 133 141.875 12.453 8.193 1068 HE ARG 133 HE ARG 133 142.002 14.806 8.070 1069 1HH1 ARG 133 HH11 ARG 133 138.945 13.629 9.449 1070 2HH1 ARG 133 HH12 ARG 133 138.664 14.999 10.407 1071 1HH2 ARG 133 HH21 ARG 133 141.588 16.767 9.352 1072 2HH2 ARG 133 HH22 ARG 133 140.188 16.839 10.323 1073 HA PRO 134 HA PRO 134 144.286 16.926 3.104 1074 1HB PRO 134 HB2 PRO 134 144.938 19.129 4.882 1075 2HB PRO 134 HB1 PRO 134 144.160 19.213 3.298 1076 1HG PRO 134 HG2 PRO 134 142.889 19.823 5.646 1077 2HG PRO 134 HG1 PRO 134 142.053 19.240 4.197 1078 1HD PRO 134 HD2 PRO 134 142.881 17.730 6.645 1079 2HD PRO 134 HD1 PRO 134 141.374 17.618 5.709 Start of MODEL 3 1 1H SER 1 HT1 SER 1 145.882 6.264 7.080 2 2H SER 1 HT2 SER 1 146.579 6.679 8.569 3 3H SER 1 HT3 SER 1 145.643 7.804 7.698 4 HA SER 1 HA SER 1 144.655 5.307 8.879 5 1HB SER 1 HB2 SER 1 144.183 8.203 9.619 6 2HB SER 1 HB1 SER 1 143.458 6.798 10.407 7 HG SER 1 HG SER 1 146.034 7.826 10.618 8 H MET 2 HN MET 2 142.648 4.679 8.206 9 HA MET 2 HA MET 2 140.831 4.452 6.928 10 1HB MET 2 HB2 MET 2 140.883 7.477 6.729 11 2HB MET 2 HB1 MET 2 139.556 6.457 6.203 12 1HG MET 2 HG2 MET 2 139.181 5.754 8.500 13 2HG MET 2 HG1 MET 2 140.539 6.749 9.029 14 1HE MET 2 HE1 MET 2 139.240 10.332 8.012 15 2HE MET 2 HE2 MET 2 140.119 9.214 6.970 16 3HE MET 2 HE3 MET 2 140.602 9.415 8.654 17 H VAL 3 HN VAL 3 139.920 5.578 4.680 18 HA VAL 3 HA VAL 3 141.865 4.759 2.767 19 HB VAL 3 HB VAL 3 139.640 4.058 2.291 20 1HG1 VAL 3 HG11 VAL 3 138.476 5.629 3.699 21 2HG1 VAL 3 HG12 VAL 3 137.778 5.508 2.084 22 3HG1 VAL 3 HG13 VAL 3 138.759 6.923 2.512 23 1HG2 VAL 3 HG21 VAL 3 139.960 6.440 0.454 24 2HG2 VAL 3 HG22 VAL 3 139.163 4.906 0.115 25 3HG2 VAL 3 HG23 VAL 3 140.915 4.962 0.310 26 H SER 4 HN SER 4 143.073 5.921 1.504 27 HA SER 4 HA SER 4 143.438 8.726 1.968 28 1HB SER 4 HB2 SER 4 144.633 6.852 -0.090 29 2HB SER 4 HB1 SER 4 145.247 8.446 0.362 30 HG SER 4 HG SER 4 146.276 6.552 1.395 31 HA PRO 5 HA PRO 5 140.606 10.700 -0.718 32 1HB PRO 5 HB2 PRO 5 143.051 12.097 -1.720 33 2HB PRO 5 HB1 PRO 5 141.489 12.767 -1.229 34 1HG PRO 5 HG2 PRO 5 143.582 12.896 0.394 35 2HG PRO 5 HG1 PRO 5 141.956 12.566 1.020 36 1HD PRO 5 HD2 PRO 5 144.268 10.729 0.695 37 2HD PRO 5 HD1 PRO 5 142.952 10.695 1.884 38 H GLU 6 HN GLU 6 143.587 9.468 -2.091 39 HA GLU 6 HA GLU 6 142.777 9.703 -4.813 40 1HB GLU 6 HB2 GLU 6 145.144 9.455 -4.053 41 2HB GLU 6 HB1 GLU 6 144.803 7.768 -3.697 42 1HG GLU 6 HG2 GLU 6 145.930 8.038 -5.835 43 2HG GLU 6 HG1 GLU 6 144.316 7.346 -6.027 44 H GLU 7 HN GLU 7 142.707 6.959 -2.556 45 HA GLU 7 HA GLU 7 141.512 5.237 -4.484 46 1HB GLU 7 HB2 GLU 7 142.756 4.354 -2.546 47 2HB GLU 7 HB1 GLU 7 141.528 5.009 -1.464 48 1HG GLU 7 HG2 GLU 7 141.175 2.670 -1.731 49 2HG GLU 7 HG1 GLU 7 139.877 3.529 -2.553 50 H ALA 8 HN ALA 8 140.432 7.442 -2.057 51 HA ALA 8 HA ALA 8 137.746 6.684 -2.072 52 1HB ALA 8 HB1 ALA 8 138.809 7.975 -0.292 53 2HB ALA 8 HB2 ALA 8 137.329 8.779 -0.827 54 3HB ALA 8 HB3 ALA 8 138.909 9.386 -1.338 55 H VAL 9 HN VAL 9 139.476 9.160 -4.067 56 HA VAL 9 HA VAL 9 137.155 9.903 -5.489 57 HB VAL 9 HB VAL 9 138.487 10.861 -7.257 58 1HG1 VAL 9 HG11 VAL 9 139.986 12.360 -6.053 59 2HG1 VAL 9 HG12 VAL 9 139.809 11.331 -4.627 60 3HG1 VAL 9 HG13 VAL 9 138.409 12.166 -5.285 61 1HG2 VAL 9 HG21 VAL 9 140.887 9.443 -6.121 62 2HG2 VAL 9 HG22 VAL 9 140.930 10.648 -7.409 63 3HG2 VAL 9 HG23 VAL 9 140.100 9.112 -7.663 64 H LYS 10 HN LYS 10 139.240 7.179 -5.862 65 HA LYS 10 HA LYS 10 138.316 6.230 -8.351 66 1HB LYS 10 HB2 LYS 10 139.675 5.030 -6.013 67 2HB LYS 10 HB1 LYS 10 138.795 3.912 -7.031 68 1HG LYS 10 HG2 LYS 10 141.197 4.094 -7.570 69 2HG LYS 10 HG1 LYS 10 140.137 4.474 -8.921 70 1HD LYS 10 HD2 LYS 10 140.534 6.827 -8.628 71 2HD LYS 10 HD1 LYS 10 141.451 6.524 -7.147 72 1HE LYS 10 HE2 LYS 10 143.133 5.376 -8.327 73 2HE LYS 10 HE1 LYS 10 142.211 5.410 -9.833 74 1HZ LYS 10 HZ1 LYS 10 143.995 7.068 -9.771 75 2HZ LYS 10 HZ2 LYS 10 143.287 7.826 -8.438 76 3HZ LYS 10 HZ3 LYS 10 142.482 7.792 -9.908 77 H TRP 11 HN TRP 11 136.860 6.182 -5.208 78 HA TRP 11 HA TRP 11 134.879 4.210 -5.767 79 1HB TRP 11 HB2 TRP 11 134.867 6.465 -3.770 80 2HB TRP 11 HB1 TRP 11 133.699 5.158 -3.813 81 HD1 TRP 11 HD1 TRP 11 136.665 3.339 -4.532 82 HE1 TRP 11 HE1 TRP 11 137.790 2.437 -2.440 83 HE3 TRP 11 HE3 TRP 11 134.310 6.252 -1.097 84 HZ2 TRP 11 HZ2 TRP 11 137.651 2.860 0.364 85 HZ3 TRP 11 HZ3 TRP 11 134.826 5.906 1.304 86 HH2 TRP 11 HH2 TRP 11 136.475 4.264 1.990 87 H GLY 12 HN GLY 12 135.329 7.416 -6.700 88 1HA GLY 12 HA2 GLY 12 132.553 8.118 -6.993 89 2HA GLY 12 HA1 GLY 12 133.936 9.082 -7.474 90 H GLU 13 HN GLU 13 134.385 6.042 -8.715 91 HA GLU 13 HA GLU 13 132.917 6.811 -11.082 92 1HB GLU 13 HB2 GLU 13 134.647 5.600 -12.484 93 2HB GLU 13 HB1 GLU 13 135.159 7.086 -11.718 94 1HG GLU 13 HG2 GLU 13 136.983 5.710 -11.443 95 2HG GLU 13 HG1 GLU 13 136.152 5.538 -9.906 96 H SER 14 HN SER 14 133.569 4.087 -8.998 97 HA SER 14 HA SER 14 131.242 2.812 -10.251 98 1HB SER 14 HB2 SER 14 133.691 1.258 -9.379 99 2HB SER 14 HB1 SER 14 132.276 0.638 -10.226 100 HG SER 14 HG SER 14 134.301 2.348 -11.117 101 H PHE 15 HN PHE 15 129.743 2.556 -8.737 102 HA PHE 15 HA PHE 15 130.073 2.831 -5.960 103 1HB PHE 15 HB2 PHE 15 127.899 3.154 -7.004 104 2HB PHE 15 HB1 PHE 15 127.876 1.493 -7.567 105 HD1 PHE 15 HD1 PHE 15 128.441 3.090 -4.209 106 HD2 PHE 15 HD2 PHE 15 126.206 0.316 -6.533 107 HE1 PHE 15 HE1 PHE 15 127.126 2.439 -2.199 108 HE2 PHE 15 HE2 PHE 15 124.912 -0.311 -4.521 109 HZ PHE 15 HZ PHE 15 125.384 0.757 -2.381 110 H ASP 16 HN ASP 16 130.086 0.024 -8.016 111 HA ASP 16 HA ASP 16 130.197 -2.056 -6.174 112 1HB ASP 16 HB2 ASP 16 130.030 -2.511 -8.521 113 2HB ASP 16 HB1 ASP 16 131.578 -1.746 -8.835 114 H LYS 17 HN LYS 17 132.840 -0.012 -7.322 115 HA LYS 17 HA LYS 17 134.966 -1.387 -6.030 116 1HB LYS 17 HB2 LYS 17 135.458 0.108 -7.855 117 2HB LYS 17 HB1 LYS 17 134.693 1.454 -7.024 118 1HG LYS 17 HG2 LYS 17 136.379 1.467 -5.375 119 2HG LYS 17 HG1 LYS 17 137.173 0.048 -6.063 120 1HD LYS 17 HD2 LYS 17 136.825 2.721 -7.455 121 2HD LYS 17 HD1 LYS 17 138.276 2.242 -6.594 122 1HE LYS 17 HE2 LYS 17 138.717 1.905 -8.904 123 2HE LYS 17 HE1 LYS 17 138.468 0.309 -8.215 124 1HZ LYS 17 HZ1 LYS 17 136.386 1.833 -9.704 125 2HZ LYS 17 HZ2 LYS 17 136.320 0.173 -9.270 126 3HZ LYS 17 HZ3 LYS 17 137.411 0.715 -10.405 127 H LEU 18 HN LEU 18 132.995 1.333 -5.211 128 HA LEU 18 HA LEU 18 134.042 2.097 -2.736 129 1HB LEU 18 HB2 LEU 18 132.581 3.523 -3.857 130 2HB LEU 18 HB1 LEU 18 131.399 2.268 -4.118 131 HG LEU 18 HG LEU 18 130.848 2.358 -1.689 132 1HD1 LEU 18 HD11 LEU 18 132.625 4.779 -1.750 133 2HD1 LEU 18 HD12 LEU 18 132.942 3.281 -0.876 134 3HD1 LEU 18 HD13 LEU 18 131.579 4.298 -0.416 135 1HD2 LEU 18 HD21 LEU 18 130.637 4.898 -3.231 136 2HD2 LEU 18 HD22 LEU 18 129.623 4.432 -1.849 137 3HD2 LEU 18 HD23 LEU 18 129.567 3.504 -3.360 138 H LEU 19 HN LEU 19 131.540 -0.151 -3.650 139 HA LEU 19 HA LEU 19 130.638 -0.658 -1.029 140 1HB LEU 19 HB2 LEU 19 129.476 -0.648 -3.304 141 2HB LEU 19 HB1 LEU 19 130.043 -2.298 -3.423 142 HG LEU 19 HG LEU 19 128.762 -2.908 -1.462 143 1HD1 LEU 19 HD11 LEU 19 128.995 -0.674 -0.325 144 2HD1 LEU 19 HD12 LEU 19 127.343 -1.243 -0.307 145 3HD1 LEU 19 HD13 LEU 19 127.843 -0.004 -1.466 146 1HD2 LEU 19 HD21 LEU 19 127.731 -3.002 -3.673 147 2HD2 LEU 19 HD22 LEU 19 127.271 -1.312 -3.537 148 3HD2 LEU 19 HD23 LEU 19 126.532 -2.499 -2.471 149 H SER 20 HN SER 20 132.825 -2.381 -3.242 150 HA SER 20 HA SER 20 132.940 -4.709 -1.545 151 1HB SER 20 HB2 SER 20 134.778 -3.878 -3.794 152 2HB SER 20 HB1 SER 20 134.678 -5.483 -3.064 153 HG SER 20 HG SER 20 132.240 -4.853 -3.738 154 H HIS 21 HN HIS 21 134.170 -1.688 -1.387 155 HA HIS 21 HA HIS 21 136.701 -2.303 -0.090 156 1HB HIS 21 HB2 HIS 21 135.454 -0.061 -1.376 157 2HB HIS 21 HB1 HIS 21 135.882 0.376 0.267 158 HD1 HIS 21 HD1 HIS 21 138.393 0.427 0.842 159 HD2 HIS 21 HD2 HIS 21 137.587 -0.378 -3.140 160 HE1 HIS 21 HE1 HIS 21 140.406 1.158 -0.373 161 HE2 HIS 21 HE2 HIS 21 139.862 0.748 -2.834 162 H ARG 22 HN ARG 22 136.646 -2.721 2.071 163 HA ARG 22 HA ARG 22 134.323 -2.622 3.635 164 1HB ARG 22 HB2 ARG 22 136.380 -3.927 4.225 165 2HB ARG 22 HB1 ARG 22 137.154 -2.417 4.692 166 1HG ARG 22 HG2 ARG 22 136.320 -3.572 6.654 167 2HG ARG 22 HG1 ARG 22 135.418 -2.072 6.404 168 1HD ARG 22 HD2 ARG 22 133.649 -3.375 5.267 169 2HD ARG 22 HD1 ARG 22 134.530 -4.852 5.641 170 HE ARG 22 HE ARG 22 133.772 -3.115 7.850 171 1HH1 ARG 22 HH11 ARG 22 132.995 -6.004 5.944 172 2HH1 ARG 22 HH12 ARG 22 132.086 -6.751 7.183 173 1HH2 ARG 22 HH21 ARG 22 132.431 -4.156 9.552 174 2HH2 ARG 22 HH22 ARG 22 131.787 -5.698 9.244 175 H ASP 23 HN ASP 23 136.883 -0.232 3.284 176 HA ASP 23 HA ASP 23 135.867 1.621 5.202 177 1HB ASP 23 HB2 ASP 23 137.628 2.148 2.789 178 2HB ASP 23 HB1 ASP 23 137.231 3.356 3.996 179 H GLY 24 HN GLY 24 135.024 0.914 1.947 180 1HA GLY 24 HA2 GLY 24 133.694 3.468 1.544 181 2HA GLY 24 HA1 GLY 24 133.813 2.180 0.367 182 H LEU 25 HN LEU 25 132.857 0.078 1.722 183 HA LEU 25 HA LEU 25 130.118 0.335 1.700 184 1HB LEU 25 HB2 LEU 25 130.658 -1.868 1.628 185 2HB LEU 25 HB1 LEU 25 132.084 -1.656 2.611 186 HG LEU 25 HG LEU 25 129.404 -1.638 3.975 187 1HD1 LEU 25 HD11 LEU 25 129.361 -3.589 2.456 188 2HD1 LEU 25 HD12 LEU 25 129.518 -4.086 4.141 189 3HD1 LEU 25 HD13 LEU 25 130.929 -4.099 3.080 190 1HD2 LEU 25 HD21 LEU 25 130.758 -2.700 5.755 191 2HD2 LEU 25 HD22 LEU 25 131.477 -1.163 5.258 192 3HD2 LEU 25 HD23 LEU 25 132.157 -2.674 4.678 193 H GLU 26 HN GLU 26 132.430 0.765 4.262 194 HA GLU 26 HA GLU 26 130.542 1.244 6.290 195 1HB GLU 26 HB2 GLU 26 132.769 0.447 6.674 196 2HB GLU 26 HB1 GLU 26 133.470 1.938 6.070 197 1HG GLU 26 HG2 GLU 26 133.562 1.921 8.486 198 2HG GLU 26 HG1 GLU 26 132.433 3.162 7.951 199 H ALA 27 HN ALA 27 132.354 3.396 4.032 200 HA ALA 27 HA ALA 27 131.478 5.802 5.254 201 1HB ALA 27 HB1 ALA 27 133.352 5.907 3.645 202 2HB ALA 27 HB2 ALA 27 132.001 6.874 3.046 203 3HB ALA 27 HB3 ALA 27 132.312 5.292 2.367 204 H PHE 28 HN PHE 28 130.188 3.826 2.687 205 HA PHE 28 HA PHE 28 128.032 5.549 2.037 206 1HB PHE 28 HB2 PHE 28 128.977 3.854 0.461 207 2HB PHE 28 HB1 PHE 28 128.273 2.588 1.459 208 HD1 PHE 28 HD1 PHE 28 125.960 2.041 1.284 209 HD2 PHE 28 HD2 PHE 28 127.521 5.428 -0.752 210 HE1 PHE 28 HE1 PHE 28 123.865 2.241 0.018 211 HE2 PHE 28 HE2 PHE 28 125.434 5.632 -2.024 212 HZ PHE 28 HZ PHE 28 123.600 4.041 -1.640 213 H THR 29 HN THR 29 128.315 2.627 4.061 214 HA THR 29 HA THR 29 125.579 2.601 4.646 215 HB THR 29 HB THR 29 127.064 0.573 5.029 216 HG1 THR 29 HG1 THR 29 125.409 -0.038 6.249 217 1HG2 THR 29 HG21 THR 29 128.922 1.688 6.190 218 2HG2 THR 29 HG22 THR 29 128.254 0.381 7.168 219 3HG2 THR 29 HG23 THR 29 127.852 2.058 7.543 220 H ARG 30 HN ARG 30 128.269 4.319 6.211 221 HA ARG 30 HA ARG 30 126.782 5.159 8.465 222 1HB ARG 30 HB2 ARG 30 129.121 6.499 7.108 223 2HB ARG 30 HB1 ARG 30 128.450 7.005 8.658 224 1HG ARG 30 HG2 ARG 30 128.940 4.760 9.548 225 2HG ARG 30 HG1 ARG 30 129.684 4.355 8.012 226 1HD ARG 30 HD2 ARG 30 131.324 6.116 8.304 227 2HD ARG 30 HD1 ARG 30 130.571 6.577 9.834 228 HE ARG 30 HE ARG 30 131.256 3.836 9.765 229 1HH1 ARG 30 HH11 ARG 30 132.646 7.064 10.298 230 2HH1 ARG 30 HH12 ARG 30 133.962 6.532 11.202 231 1HH2 ARG 30 HH21 ARG 30 133.041 3.059 11.063 232 2HH2 ARG 30 HH22 ARG 30 134.228 4.128 11.629 233 H PHE 31 HN PHE 31 127.018 6.407 5.251 234 HA PHE 31 HA PHE 31 125.530 8.770 5.756 235 1HB PHE 31 HB2 PHE 31 127.022 8.632 3.857 236 2HB PHE 31 HB1 PHE 31 126.146 7.247 3.219 237 HD1 PHE 31 HD1 PHE 31 125.507 10.744 4.279 238 HD2 PHE 31 HD2 PHE 31 124.680 7.624 1.527 239 HE1 PHE 31 HE1 PHE 31 124.074 12.262 2.999 240 HE2 PHE 31 HE2 PHE 31 123.244 9.141 0.242 241 HZ PHE 31 HZ PHE 31 122.943 11.463 0.987 242 H LEU 32 HN LEU 32 124.783 5.510 4.871 243 HA LEU 32 HA LEU 32 122.061 5.965 4.125 244 1HB LEU 32 HB2 LEU 32 123.851 4.094 3.510 245 2HB LEU 32 HB1 LEU 32 123.139 3.304 4.888 246 HG LEU 32 HG LEU 32 120.944 3.355 3.785 247 1HD1 LEU 32 HD11 LEU 32 120.807 3.963 1.425 248 2HD1 LEU 32 HD12 LEU 32 122.489 4.491 1.452 249 3HD1 LEU 32 HD13 LEU 32 121.276 5.355 2.402 250 1HD2 LEU 32 HD21 LEU 32 122.380 1.422 3.550 251 2HD2 LEU 32 HD22 LEU 32 123.190 2.157 2.173 252 3HD2 LEU 32 HD23 LEU 32 121.486 1.704 2.057 253 H LYS 33 HN LYS 33 123.751 4.760 7.003 254 HA LYS 33 HA LYS 33 121.563 3.819 8.487 255 1HB LYS 33 HB2 LYS 33 124.186 4.917 9.512 256 2HB LYS 33 HB1 LYS 33 123.021 4.036 10.481 257 1HG LYS 33 HG2 LYS 33 123.371 2.050 9.105 258 2HG LYS 33 HG1 LYS 33 124.527 2.944 8.113 259 1HD LYS 33 HD2 LYS 33 125.867 3.350 10.177 260 2HD LYS 33 HD1 LYS 33 124.761 2.283 11.040 261 1HE LYS 33 HE2 LYS 33 126.534 1.550 8.713 262 2HE LYS 33 HE1 LYS 33 126.771 1.087 10.394 263 1HZ LYS 33 HZ1 LYS 33 124.551 -0.053 10.198 264 2HZ LYS 33 HZ2 LYS 33 125.822 -0.758 9.395 265 3HZ LYS 33 HZ3 LYS 33 124.683 0.089 8.508 266 H THR 34 HN THR 34 123.120 7.006 8.524 267 HA THR 34 HA THR 34 121.620 8.006 10.633 268 HB THR 34 HB THR 34 123.608 9.207 9.959 269 HG1 THR 34 HG1 THR 34 122.703 11.377 9.813 270 1HG2 THR 34 HG21 THR 34 123.530 8.817 7.548 271 2HG2 THR 34 HG22 THR 34 123.709 10.538 7.894 272 3HG2 THR 34 HG23 THR 34 122.140 9.892 7.411 273 H GLU 35 HN GLU 35 120.682 7.624 7.296 274 HA GLU 35 HA GLU 35 118.232 9.068 7.952 275 1HB GLU 35 HB2 GLU 35 117.825 9.301 5.575 276 2HB GLU 35 HB1 GLU 35 119.385 9.965 6.017 277 1HG GLU 35 HG2 GLU 35 120.505 8.065 5.062 278 2HG GLU 35 HG1 GLU 35 118.954 7.280 4.735 279 H PHE 36 HN PHE 36 119.035 6.296 8.611 280 HA PHE 36 HA PHE 36 118.221 4.278 8.862 281 1HB PHE 36 HB2 PHE 36 115.729 3.973 9.108 282 2HB PHE 36 HB1 PHE 36 116.426 5.258 10.073 283 HD1 PHE 36 HD1 PHE 36 115.582 7.442 9.929 284 HD2 PHE 36 HD2 PHE 36 114.458 4.565 7.003 285 HE1 PHE 36 HE1 PHE 36 113.895 8.997 9.053 286 HE2 PHE 36 HE2 PHE 36 112.770 6.116 6.125 287 HZ PHE 36 HZ PHE 36 112.485 8.334 7.150 288 H SER 37 HN SER 37 118.697 5.095 5.995 289 HA SER 37 HA SER 37 117.012 3.217 4.560 290 1HB SER 37 HB2 SER 37 119.450 4.699 3.585 291 2HB SER 37 HB1 SER 37 118.154 4.004 2.615 292 HG SER 37 HG SER 37 116.770 5.583 3.899 293 H GLU 38 HN GLU 38 119.505 2.947 6.574 294 HA GLU 38 HA GLU 38 121.557 1.447 5.497 295 1HB GLU 38 HB2 GLU 38 121.918 0.632 7.830 296 2HB GLU 38 HB1 GLU 38 121.754 2.374 7.677 297 1HG GLU 38 HG2 GLU 38 119.433 2.224 8.449 298 2HG GLU 38 HG1 GLU 38 119.600 0.478 8.594 299 H GLU 39 HN GLU 39 118.375 0.465 6.248 300 HA GLU 39 HA GLU 39 118.501 -2.260 6.613 301 1HB GLU 39 HB2 GLU 39 116.184 -2.222 5.594 302 2HB GLU 39 HB1 GLU 39 116.458 -1.154 6.965 303 1HG GLU 39 HG2 GLU 39 116.801 0.719 5.385 304 2HG GLU 39 HG1 GLU 39 116.405 -0.368 4.058 305 H ASN 40 HN ASN 40 118.847 -0.440 3.688 306 HA ASN 40 HA ASN 40 118.394 -2.629 1.881 307 1HB ASN 40 HB2 ASN 40 119.603 0.108 1.445 308 2HB ASN 40 HB1 ASN 40 119.304 -1.027 0.143 309 1HD2 ASN 40 HD21 ASN 40 117.936 1.210 2.360 310 2HD2 ASN 40 HD22 ASN 40 116.323 1.213 1.750 311 H ILE 41 HN ILE 41 121.292 -0.929 3.006 312 HA ILE 41 HA ILE 41 123.007 -2.482 1.374 313 HB ILE 41 HB ILE 41 123.500 -0.150 2.232 314 1HG1 ILE 41 HG12 ILE 41 125.697 -2.235 2.596 315 2HG1 ILE 41 HG11 ILE 41 125.149 -1.544 1.096 316 1HG2 ILE 41 HG21 ILE 41 124.751 -0.018 4.446 317 2HG2 ILE 41 HG22 ILE 41 123.973 -1.549 4.909 318 3HG2 ILE 41 HG23 ILE 41 123.018 -0.170 4.512 319 1HD1 ILE 41 HD11 ILE 41 125.842 0.667 1.894 320 2HD1 ILE 41 HD12 ILE 41 127.135 -0.496 1.666 321 3HD1 ILE 41 HD13 ILE 41 126.564 -0.110 3.315 322 H GLU 42 HN GLU 42 122.117 -2.592 4.774 323 HA GLU 42 HA GLU 42 123.750 -4.819 5.323 324 1HB GLU 42 HB2 GLU 42 121.641 -3.323 6.776 325 2HB GLU 42 HB1 GLU 42 122.077 -4.917 7.352 326 1HG GLU 42 HG2 GLU 42 123.066 -2.905 8.369 327 2HG GLU 42 HG1 GLU 42 124.318 -4.153 7.982 328 H PHE 43 HN PHE 43 120.636 -4.446 3.883 329 HA PHE 43 HA PHE 43 119.461 -6.933 4.284 330 1HB PHE 43 HB2 PHE 43 118.142 -5.331 3.160 331 2HB PHE 43 HB1 PHE 43 119.411 -4.965 2.008 332 HD1 PHE 43 HD1 PHE 43 119.623 -6.183 -0.016 333 HD2 PHE 43 HD2 PHE 43 116.801 -7.379 2.915 334 HE1 PHE 43 HE1 PHE 43 118.573 -7.665 -1.657 335 HE2 PHE 43 HE2 PHE 43 115.727 -8.840 1.273 336 HZ PHE 43 HZ PHE 43 116.630 -9.001 -1.018 337 H TRP 44 HN TRP 44 121.553 -5.910 1.559 338 HA TRP 44 HA TRP 44 121.775 -8.717 1.101 339 1HB TRP 44 HB2 TRP 44 123.315 -8.246 -0.851 340 2HB TRP 44 HB1 TRP 44 121.660 -7.691 -0.975 341 HD1 TRP 44 HD1 TRP 44 121.508 -5.467 -2.075 342 HE1 TRP 44 HE1 TRP 44 122.965 -3.397 -2.274 343 HE3 TRP 44 HE3 TRP 44 125.403 -6.963 0.858 344 HZ2 TRP 44 HZ2 TRP 44 125.447 -2.488 -1.248 345 HZ3 TRP 44 HZ3 TRP 44 127.276 -5.431 1.204 346 HH2 TRP 44 HH2 TRP 44 127.298 -3.245 0.170 347 H ILE 45 HN ILE 45 123.487 -6.698 3.010 348 HA ILE 45 HA ILE 45 125.850 -8.230 3.118 349 HB ILE 45 HB ILE 45 124.487 -6.429 5.120 350 1HG1 ILE 45 HG12 ILE 45 127.127 -6.283 3.659 351 2HG1 ILE 45 HG11 ILE 45 125.667 -5.396 3.262 352 1HG2 ILE 45 HG21 ILE 45 126.339 -6.688 6.686 353 2HG2 ILE 45 HG22 ILE 45 127.033 -7.949 5.663 354 3HG2 ILE 45 HG23 ILE 45 125.476 -8.213 6.451 355 1HD1 ILE 45 HD11 ILE 45 125.835 -4.183 5.367 356 2HD1 ILE 45 HD12 ILE 45 127.292 -3.996 4.390 357 3HD1 ILE 45 HD13 ILE 45 127.289 -5.092 5.774 358 H ALA 46 HN ALA 46 122.674 -8.582 4.514 359 HA ALA 46 HA ALA 46 123.254 -10.857 6.068 360 1HB ALA 46 HB1 ALA 46 120.663 -9.923 4.824 361 2HB ALA 46 HB2 ALA 46 121.186 -9.666 6.495 362 3HB ALA 46 HB3 ALA 46 120.782 -11.289 5.914 363 H CYS 47 HN CYS 47 122.320 -10.323 2.732 364 HA CYS 47 HA CYS 47 121.971 -13.039 1.995 365 1HB CYS 47 HB2 CYS 47 121.065 -11.234 0.610 366 2HB CYS 47 HB1 CYS 47 122.693 -10.668 0.254 367 HG CYS 47 HG CYS 47 123.398 -12.826 -1.358 368 H GLU 48 HN GLU 48 124.812 -10.889 1.810 369 HA GLU 48 HA GLU 48 126.338 -12.995 0.710 370 1HB GLU 48 HB2 GLU 48 128.316 -11.532 0.986 371 2HB GLU 48 HB1 GLU 48 126.997 -10.734 0.161 372 1HG GLU 48 HG2 GLU 48 127.443 -9.036 1.550 373 2HG GLU 48 HG1 GLU 48 126.601 -9.990 2.770 374 H ASP 49 HN ASP 49 125.718 -11.928 3.934 375 HA ASP 49 HA ASP 49 127.510 -13.611 5.340 376 1HB ASP 49 HB2 ASP 49 126.211 -11.876 6.470 377 2HB ASP 49 HB1 ASP 49 124.713 -12.679 6.029 378 H PHE 50 HN PHE 50 124.529 -14.086 3.760 379 HA PHE 50 HA PHE 50 123.933 -16.645 4.752 380 1HB PHE 50 HB2 PHE 50 122.196 -15.127 4.024 381 2HB PHE 50 HB1 PHE 50 122.896 -15.037 2.423 382 HD1 PHE 50 HD1 PHE 50 122.417 -16.653 0.793 383 HD2 PHE 50 HD2 PHE 50 121.036 -17.100 4.773 384 HE1 PHE 50 HE1 PHE 50 120.896 -18.416 0.052 385 HE2 PHE 50 HE2 PHE 50 119.518 -18.884 4.043 386 HZ PHE 50 HZ PHE 50 119.448 -19.534 1.677 387 H LYS 51 HN LYS 51 125.388 -15.470 1.707 388 HA LYS 51 HA LYS 51 125.785 -18.089 0.674 389 1HB LYS 51 HB2 LYS 51 127.329 -17.106 -0.979 390 2HB LYS 51 HB1 LYS 51 125.880 -16.127 -0.843 391 1HG LYS 51 HG2 LYS 51 127.061 -14.498 0.489 392 2HG LYS 51 HG1 LYS 51 128.493 -15.516 0.513 393 1HD LYS 51 HD2 LYS 51 127.283 -14.281 -1.967 394 2HD LYS 51 HD1 LYS 51 128.655 -13.623 -1.077 395 1HE LYS 51 HE2 LYS 51 129.843 -15.793 -1.487 396 2HE LYS 51 HE1 LYS 51 128.505 -16.258 -2.535 397 1HZ LYS 51 HZ1 LYS 51 130.273 -15.377 -3.845 398 2HZ LYS 51 HZ2 LYS 51 130.380 -14.002 -2.895 399 3HZ LYS 51 HZ3 LYS 51 129.018 -14.232 -3.896 400 H LYS 52 HN LYS 52 127.370 -16.351 3.106 401 HA LYS 52 HA LYS 52 129.827 -17.832 3.096 402 1HB LYS 52 HB2 LYS 52 128.540 -16.183 5.276 403 2HB LYS 52 HB1 LYS 52 130.184 -16.848 5.342 404 1HG LYS 52 HG2 LYS 52 130.816 -15.557 3.444 405 2HG LYS 52 HG1 LYS 52 129.175 -14.998 3.229 406 1HD LYS 52 HD2 LYS 52 130.446 -13.235 4.245 407 2HD LYS 52 HD1 LYS 52 129.282 -13.852 5.407 408 1HE LYS 52 HE2 LYS 52 131.000 -15.063 6.553 409 2HE LYS 52 HE1 LYS 52 132.189 -14.626 5.316 410 1HZ LYS 52 HZ1 LYS 52 130.747 -12.700 7.057 411 2HZ LYS 52 HZ2 LYS 52 131.908 -12.300 5.921 412 3HZ LYS 52 HZ3 LYS 52 132.344 -13.174 7.295 413 H SER 53 HN SER 53 126.652 -18.584 4.127 414 HA SER 53 HA SER 53 127.525 -20.613 5.971 415 1HB SER 53 HB2 SER 53 124.788 -19.862 4.901 416 2HB SER 53 HB1 SER 53 125.106 -21.017 6.197 417 HG SER 53 HG SER 53 126.022 -19.388 7.377 418 H LYS 54 HN LYS 54 128.038 -22.585 5.236 419 HA LYS 54 HA LYS 54 127.062 -23.277 2.578 420 1HB LYS 54 HB2 LYS 54 128.990 -24.922 2.507 421 2HB LYS 54 HB1 LYS 54 129.415 -23.227 2.455 422 1HG LYS 54 HG2 LYS 54 131.006 -24.323 3.820 423 2HG LYS 54 HG1 LYS 54 129.971 -23.391 4.895 424 1HD LYS 54 HD2 LYS 54 128.770 -25.395 5.526 425 2HD LYS 54 HD1 LYS 54 129.683 -26.344 4.351 426 1HE LYS 54 HE2 LYS 54 130.809 -24.927 6.757 427 2HE LYS 54 HE1 LYS 54 130.561 -26.666 6.591 428 1HZ LYS 54 HZ1 LYS 54 132.850 -26.142 6.143 429 2HZ LYS 54 HZ2 LYS 54 132.431 -24.973 5.025 430 3HZ LYS 54 HZ3 LYS 54 132.142 -26.575 4.659 431 H GLY 55 HN GLY 55 125.830 -23.571 5.245 432 1HA GLY 55 HA2 GLY 55 125.458 -26.475 5.284 433 2HA GLY 55 HA1 GLY 55 125.046 -25.368 6.598 434 HA PRO 56 HA PRO 56 121.853 -25.373 2.920 435 1HB PRO 56 HB2 PRO 56 121.199 -28.246 3.072 436 2HB PRO 56 HB1 PRO 56 121.476 -27.194 1.672 437 1HG PRO 56 HG2 PRO 56 123.293 -29.033 2.430 438 2HG PRO 56 HG1 PRO 56 123.756 -27.476 1.717 439 1HD PRO 56 HD2 PRO 56 123.758 -28.321 4.591 440 2HD PRO 56 HD1 PRO 56 124.967 -27.374 3.695 441 H GLN 57 HN GLN 57 121.730 -27.149 5.948 442 HA GLN 57 HA GLN 57 118.886 -26.958 6.241 443 1HB GLN 57 HB2 GLN 57 120.985 -27.211 8.414 444 2HB GLN 57 HB1 GLN 57 119.257 -27.374 8.657 445 1HG GLN 57 HG2 GLN 57 121.036 -29.182 7.041 446 2HG GLN 57 HG1 GLN 57 120.295 -29.537 8.601 447 1HE2 GLN 57 HE21 GLN 57 119.852 -29.343 5.230 448 2HE2 GLN 57 HE22 GLN 57 118.259 -30.003 5.130 449 H GLN 58 HN GLN 58 121.622 -25.023 7.281 450 HA GLN 58 HA GLN 58 120.212 -22.997 8.630 451 1HB GLN 58 HB2 GLN 58 122.815 -22.894 7.136 452 2HB GLN 58 HB1 GLN 58 122.141 -21.502 7.962 453 1HG GLN 58 HG2 GLN 58 123.029 -24.093 9.207 454 2HG GLN 58 HG1 GLN 58 123.754 -22.466 9.243 455 1HE2 GLN 58 HE21 GLN 58 122.661 -24.281 11.388 456 2HE2 GLN 58 HE22 GLN 58 121.607 -23.240 12.286 457 H ILE 59 HN ILE 59 120.916 -23.531 5.285 458 HA ILE 59 HA ILE 59 120.307 -21.053 4.239 459 HB ILE 59 HB ILE 59 119.688 -23.722 2.961 460 1HG1 ILE 59 HG12 ILE 59 122.014 -23.657 3.562 461 2HG1 ILE 59 HG11 ILE 59 121.890 -23.426 1.819 462 1HG2 ILE 59 HG21 ILE 59 120.052 -21.017 1.713 463 2HG2 ILE 59 HG22 ILE 59 118.547 -21.886 1.894 464 3HG2 ILE 59 HG23 ILE 59 119.811 -22.529 0.824 465 1HD1 ILE 59 HD11 ILE 59 122.330 -21.262 3.856 466 2HD1 ILE 59 HD12 ILE 59 122.397 -21.078 2.088 467 3HD1 ILE 59 HD13 ILE 59 123.583 -22.084 2.941 468 H HIS 60 HN HIS 60 118.131 -23.733 4.921 469 HA HIS 60 HA HIS 60 115.697 -22.574 4.044 470 1HB HIS 60 HB2 HIS 60 116.086 -24.418 6.423 471 2HB HIS 60 HB1 HIS 60 114.534 -23.992 5.736 472 HD1 HIS 60 HD1 HIS 60 113.663 -25.551 3.992 473 HD2 HIS 60 HD2 HIS 60 117.733 -25.999 4.642 474 HE1 HIS 60 HE1 HIS 60 114.339 -27.571 2.683 475 HE2 HIS 60 HE2 HIS 60 116.863 -27.646 2.910 476 H LEU 61 HN LEU 61 117.141 -22.588 7.227 477 HA LEU 61 HA LEU 61 115.227 -21.101 8.647 478 1HB LEU 61 HB2 LEU 61 118.169 -21.248 9.156 479 2HB LEU 61 HB1 LEU 61 116.896 -20.936 10.318 480 HG LEU 61 HG LEU 61 117.218 -23.534 8.848 481 1HD1 LEU 61 HD11 LEU 61 118.262 -24.346 10.875 482 2HD1 LEU 61 HD12 LEU 61 118.090 -22.737 11.603 483 3HD1 LEU 61 HD13 LEU 61 119.130 -22.959 10.192 484 1HD2 LEU 61 HD21 LEU 61 114.973 -23.055 9.684 485 2HD2 LEU 61 HD22 LEU 61 115.633 -22.745 11.289 486 3HD2 LEU 61 HD23 LEU 61 115.725 -24.366 10.593 487 H LYS 62 HN LYS 62 118.436 -20.193 7.646 488 HA LYS 62 HA LYS 62 118.282 -17.495 8.316 489 1HB LYS 62 HB2 LYS 62 120.113 -18.815 6.310 490 2HB LYS 62 HB1 LYS 62 120.339 -17.186 6.914 491 1HG LYS 62 HG2 LYS 62 120.524 -18.208 9.249 492 2HG LYS 62 HG1 LYS 62 120.545 -19.783 8.468 493 1HD LYS 62 HD2 LYS 62 122.786 -19.094 8.949 494 2HD LYS 62 HD1 LYS 62 122.535 -19.129 7.205 495 1HE LYS 62 HE2 LYS 62 122.328 -16.729 7.135 496 2HE LYS 62 HE1 LYS 62 122.374 -16.635 8.896 497 1HZ LYS 62 HZ1 LYS 62 124.613 -17.628 7.200 498 2HZ LYS 62 HZ2 LYS 62 124.616 -17.463 8.864 499 3HZ LYS 62 HZ3 LYS 62 124.535 -16.076 7.889 500 H ALA 63 HN ALA 63 117.649 -19.019 5.136 501 HA ALA 63 HA ALA 63 117.265 -16.562 3.793 502 1HB ALA 63 HB1 ALA 63 117.635 -18.734 2.590 503 2HB ALA 63 HB2 ALA 63 116.230 -17.852 2.003 504 3HB ALA 63 HB3 ALA 63 116.021 -19.212 3.112 505 H LYS 64 HN LYS 64 115.037 -18.819 5.295 506 HA LYS 64 HA LYS 64 112.612 -17.546 4.725 507 1HB LYS 64 HB2 LYS 64 113.170 -19.829 5.872 508 2HB LYS 64 HB1 LYS 64 113.126 -18.898 7.354 509 1HG LYS 64 HG2 LYS 64 111.027 -20.025 7.012 510 2HG LYS 64 HG1 LYS 64 110.791 -18.281 6.867 511 1HD LYS 64 HD2 LYS 64 110.514 -18.381 4.561 512 2HD LYS 64 HD1 LYS 64 111.342 -19.933 4.431 513 1HE LYS 64 HE2 LYS 64 108.937 -20.148 4.044 514 2HE LYS 64 HE1 LYS 64 109.456 -21.056 5.458 515 1HZ LYS 64 HZ1 LYS 64 108.558 -19.223 6.859 516 2HZ LYS 64 HZ2 LYS 64 107.413 -19.949 5.888 517 3HZ LYS 64 HZ3 LYS 64 107.998 -18.452 5.453 518 H ALA 65 HN ALA 65 114.932 -17.033 7.302 519 HA ALA 65 HA ALA 65 113.442 -15.192 8.842 520 1HB ALA 65 HB1 ALA 65 115.371 -16.429 9.723 521 2HB ALA 65 HB2 ALA 65 115.552 -14.688 9.944 522 3HB ALA 65 HB3 ALA 65 116.429 -15.509 8.651 523 H ILE 66 HN ILE 66 116.006 -14.708 6.424 524 HA ILE 66 HA ILE 66 115.917 -11.879 6.459 525 HB ILE 66 HB ILE 66 116.820 -13.760 4.245 526 1HG1 ILE 66 HG12 ILE 66 118.420 -12.284 6.356 527 2HG1 ILE 66 HG11 ILE 66 118.032 -13.997 6.390 528 1HG2 ILE 66 HG21 ILE 66 117.286 -10.787 4.541 529 2HG2 ILE 66 HG22 ILE 66 116.372 -11.613 3.266 530 3HG2 ILE 66 HG23 ILE 66 118.116 -11.832 3.382 531 1HD1 ILE 66 HD11 ILE 66 120.305 -13.648 5.676 532 2HD1 ILE 66 HD12 ILE 66 119.782 -12.571 4.404 533 3HD1 ILE 66 HD13 ILE 66 119.372 -14.299 4.324 534 H TYR 67 HN TYR 67 114.267 -14.288 4.567 535 HA TYR 67 HA TYR 67 112.809 -12.777 2.742 536 1HB TYR 67 HB2 TYR 67 112.903 -15.183 2.688 537 2HB TYR 67 HB1 TYR 67 112.126 -15.291 4.255 538 HD1 TYR 67 HD1 TYR 67 111.548 -14.032 0.816 539 HD2 TYR 67 HD2 TYR 67 109.856 -15.637 4.356 540 HE1 TYR 67 HE1 TYR 67 109.425 -14.174 -0.306 541 HE2 TYR 67 HE2 TYR 67 107.680 -15.828 3.250 542 HH TYR 67 HH TYR 67 106.453 -14.928 1.391 543 H GLU 68 HN GLU 68 111.690 -13.880 5.969 544 HA GLU 68 HA GLU 68 109.305 -12.376 5.737 545 1HB GLU 68 HB2 GLU 68 110.540 -13.659 8.154 546 2HB GLU 68 HB1 GLU 68 108.917 -12.988 8.083 547 1HG GLU 68 HG2 GLU 68 108.333 -14.588 6.328 548 2HG GLU 68 HG1 GLU 68 109.953 -15.276 6.423 549 H LYS 69 HN LYS 69 112.415 -11.491 6.825 550 HA LYS 69 HA LYS 69 111.450 -9.243 8.380 551 1HB LYS 69 HB2 LYS 69 113.461 -10.426 9.113 552 2HB LYS 69 HB1 LYS 69 114.254 -10.069 7.589 553 1HG LYS 69 HG2 LYS 69 114.207 -7.686 8.129 554 2HG LYS 69 HG1 LYS 69 113.425 -8.050 9.671 555 1HD LYS 69 HD2 LYS 69 115.382 -9.353 10.352 556 2HD LYS 69 HD1 LYS 69 116.152 -9.025 8.797 557 1HE LYS 69 HE2 LYS 69 116.121 -6.625 9.297 558 2HE LYS 69 HE1 LYS 69 115.364 -6.960 10.851 559 1HZ LYS 69 HZ1 LYS 69 117.736 -6.608 11.066 560 2HZ LYS 69 HZ2 LYS 69 118.064 -7.910 10.021 561 3HZ LYS 69 HZ3 LYS 69 117.320 -8.175 11.513 562 H PHE 70 HN PHE 70 112.263 -9.863 5.082 563 HA PHE 70 HA PHE 70 112.450 -6.996 4.563 564 1HB PHE 70 HB2 PHE 70 114.469 -9.071 3.771 565 2HB PHE 70 HB1 PHE 70 114.316 -7.548 2.922 566 HD1 PHE 70 HD1 PHE 70 116.090 -9.239 5.356 567 HD2 PHE 70 HD2 PHE 70 114.339 -5.439 4.589 568 HE1 PHE 70 HE1 PHE 70 117.658 -8.197 6.938 569 HE2 PHE 70 HE2 PHE 70 115.901 -4.392 6.173 570 HZ PHE 70 HZ PHE 70 117.566 -5.768 7.346 571 H ILE 71 HN ILE 71 112.574 -10.122 2.906 572 HA ILE 71 HA ILE 71 111.631 -9.095 0.432 573 HB ILE 71 HB ILE 71 111.870 -11.950 1.417 574 1HG1 ILE 71 HG12 ILE 71 113.986 -10.787 1.449 575 2HG1 ILE 71 HG11 ILE 71 113.975 -11.974 0.151 576 1HG2 ILE 71 HG21 ILE 71 111.250 -10.901 -1.324 577 2HG2 ILE 71 HG22 ILE 71 110.516 -12.290 -0.430 578 3HG2 ILE 71 HG23 ILE 71 112.143 -12.387 -1.079 579 1HD1 ILE 71 HD11 ILE 71 113.554 -9.012 -0.160 580 2HD1 ILE 71 HD12 ILE 71 113.563 -10.195 -1.467 581 3HD1 ILE 71 HD13 ILE 71 115.031 -9.895 -0.535 582 H GLN 72 HN GLN 72 110.080 -10.266 3.205 583 HA GLN 72 HA GLN 72 107.566 -10.955 2.042 584 1HB GLN 72 HB2 GLN 72 108.337 -11.764 4.268 585 2HB GLN 72 HB1 GLN 72 108.209 -10.112 4.883 586 1HG GLN 72 HG2 GLN 72 106.313 -11.472 5.559 587 2HG GLN 72 HG1 GLN 72 105.821 -10.149 4.503 588 1HE2 GLN 72 HE21 GLN 72 106.193 -13.589 4.794 589 2HE2 GLN 72 HE22 GLN 72 105.338 -14.000 3.361 590 H THR 73 HN THR 73 105.645 -9.662 2.033 591 HA THR 73 HA THR 73 106.250 -6.877 1.702 592 HB THR 73 HB THR 73 103.616 -8.310 1.307 593 HG1 THR 73 HG1 THR 73 104.336 -8.465 -0.885 594 1HG2 THR 73 HG21 THR 73 104.704 -5.672 0.368 595 2HG2 THR 73 HG22 THR 73 103.497 -5.955 1.632 596 3HG2 THR 73 HG23 THR 73 103.102 -6.340 -0.061 597 H ASP 74 HN ASP 74 104.264 -8.811 3.769 598 HA ASP 74 HA ASP 74 103.650 -6.585 5.529 599 1HB ASP 74 HB2 ASP 74 102.603 -8.237 7.053 600 2HB ASP 74 HB1 ASP 74 102.005 -8.393 5.412 601 H ALA 75 HN ALA 75 106.438 -7.383 4.985 602 HA ALA 75 HA ALA 75 107.645 -8.503 7.282 603 1HB ALA 75 HB1 ALA 75 108.814 -6.702 5.150 604 2HB ALA 75 HB2 ALA 75 108.808 -8.470 5.157 605 3HB ALA 75 HB3 ALA 75 109.716 -7.574 6.383 606 HA PRO 76 HA PRO 76 107.790 -5.063 10.071 607 1HB PRO 76 HB2 PRO 76 110.281 -5.390 11.148 608 2HB PRO 76 HB1 PRO 76 108.891 -6.385 11.595 609 1HG PRO 76 HG2 PRO 76 111.095 -6.978 9.655 610 2HG PRO 76 HG1 PRO 76 110.375 -8.034 10.890 611 1HD PRO 76 HD2 PRO 76 109.707 -8.219 8.311 612 2HD PRO 76 HD1 PRO 76 108.504 -8.459 9.592 613 H LYS 77 HN LYS 77 110.212 -5.496 7.622 614 HA LYS 77 HA LYS 77 110.864 -2.629 7.835 615 1HB LYS 77 HB2 LYS 77 112.841 -4.787 7.104 616 2HB LYS 77 HB1 LYS 77 113.169 -3.066 7.234 617 1HG LYS 77 HG2 LYS 77 112.584 -3.207 9.657 618 2HG LYS 77 HG1 LYS 77 112.458 -4.956 9.470 619 1HD LYS 77 HD2 LYS 77 114.637 -4.442 10.325 620 2HD LYS 77 HD1 LYS 77 114.810 -4.964 8.648 621 1HE LYS 77 HE2 LYS 77 116.205 -3.045 8.994 622 2HE LYS 77 HE1 LYS 77 114.850 -2.579 7.967 623 1HZ LYS 77 HZ1 LYS 77 113.762 -1.672 10.031 624 2HZ LYS 77 HZ2 LYS 77 115.180 -0.897 9.582 625 3HZ LYS 77 HZ3 LYS 77 115.204 -2.003 10.854 626 H GLU 78 HN GLU 78 110.965 -5.458 5.714 627 HA GLU 78 HA GLU 78 110.470 -5.812 3.576 628 1HB GLU 78 HB2 GLU 78 109.502 -2.963 3.509 629 2HB GLU 78 HB1 GLU 78 109.437 -4.044 2.137 630 1HG GLU 78 HG2 GLU 78 107.936 -5.507 3.419 631 2HG GLU 78 HG1 GLU 78 107.961 -4.320 4.734 632 H VAL 79 HN VAL 79 110.943 -4.759 1.252 633 HA VAL 79 HA VAL 79 113.564 -3.395 1.339 634 HB VAL 79 HB VAL 79 112.964 -5.736 -0.517 635 1HG1 VAL 79 HG11 VAL 79 114.556 -4.159 -1.437 636 2HG1 VAL 79 HG12 VAL 79 115.353 -5.681 -1.017 637 3HG1 VAL 79 HG13 VAL 79 115.536 -4.273 0.026 638 1HG2 VAL 79 HG21 VAL 79 114.687 -5.688 1.924 639 2HG2 VAL 79 HG22 VAL 79 114.581 -7.038 0.802 640 3HG2 VAL 79 HG23 VAL 79 113.171 -6.548 1.744 641 H ASN 80 HN ASN 80 113.911 -2.076 -0.470 642 HA ASN 80 HA ASN 80 111.624 -1.210 -2.016 643 1HB ASN 80 HB2 ASN 80 114.579 -0.529 -2.302 644 2HB ASN 80 HB1 ASN 80 113.286 0.263 -3.186 645 1HD2 ASN 80 HD21 ASN 80 114.965 0.008 -0.145 646 2HD2 ASN 80 HD22 ASN 80 114.169 1.304 0.621 647 H LEU 81 HN LEU 81 112.139 -3.914 -2.375 648 HA LEU 81 HA LEU 81 113.634 -4.409 -4.802 649 1HB LEU 81 HB2 LEU 81 113.840 -5.852 -2.939 650 2HB LEU 81 HB1 LEU 81 112.105 -6.208 -2.908 651 HG LEU 81 HG LEU 81 112.594 -7.209 -5.267 652 1HD1 LEU 81 HD11 LEU 81 114.816 -7.887 -5.655 653 2HD1 LEU 81 HD12 LEU 81 115.345 -7.221 -4.128 654 3HD1 LEU 81 HD13 LEU 81 114.803 -6.133 -5.425 655 1HD2 LEU 81 HD21 LEU 81 113.732 -8.482 -2.780 656 2HD2 LEU 81 HD22 LEU 81 113.295 -9.316 -4.267 657 3HD2 LEU 81 HD23 LEU 81 112.047 -8.553 -3.290 658 H ASP 82 HN ASP 82 112.690 -5.343 -6.641 659 HA ASP 82 HA ASP 82 110.115 -4.319 -7.336 660 1HB ASP 82 HB2 ASP 82 110.616 -5.128 -9.538 661 2HB ASP 82 HB1 ASP 82 112.093 -4.422 -8.896 662 H PHE 83 HN PHE 83 108.544 -5.707 -8.396 663 HA PHE 83 HA PHE 83 107.653 -7.747 -6.690 664 1HB PHE 83 HB2 PHE 83 106.712 -6.705 -9.310 665 2HB PHE 83 HB1 PHE 83 106.001 -8.163 -8.627 666 HD1 PHE 83 HD1 PHE 83 106.500 -4.591 -8.177 667 HD2 PHE 83 HD2 PHE 83 104.644 -8.093 -6.801 668 HE1 PHE 83 HE1 PHE 83 105.005 -3.195 -6.762 669 HE2 PHE 83 HE2 PHE 83 103.109 -6.752 -5.356 670 HZ PHE 83 HZ PHE 83 103.306 -4.291 -5.348 671 H HIS 84 HN HIS 84 109.489 -7.907 -9.654 672 HA HIS 84 HA HIS 84 108.683 -10.563 -10.085 673 1HB HIS 84 HB2 HIS 84 109.238 -9.328 -12.040 674 2HB HIS 84 HB1 HIS 84 110.819 -8.896 -11.415 675 HD1 HIS 84 HD1 HIS 84 109.004 -12.137 -12.394 676 HD2 HIS 84 HD2 HIS 84 112.794 -10.425 -12.473 677 HE1 HIS 84 HE1 HIS 84 110.470 -13.801 -13.550 678 HE2 HIS 84 HE2 HIS 84 112.776 -12.917 -13.204 679 H THR 85 HN THR 85 111.610 -9.049 -8.789 680 HA THR 85 HA THR 85 113.036 -11.443 -8.402 681 HB THR 85 HB THR 85 113.238 -8.905 -6.755 682 HG1 THR 85 HG1 THR 85 113.960 -8.154 -8.526 683 1HG2 THR 85 HG21 THR 85 114.256 -10.876 -5.703 684 2HG2 THR 85 HG22 THR 85 115.471 -9.709 -6.166 685 3HG2 THR 85 HG23 THR 85 115.217 -11.159 -7.151 686 H LYS 86 HN LYS 86 110.970 -9.584 -6.164 687 HA LYS 86 HA LYS 86 111.332 -11.328 -3.995 688 1HB LYS 86 HB2 LYS 86 109.461 -10.224 -2.914 689 2HB LYS 86 HB1 LYS 86 110.470 -9.033 -3.714 690 1HG LYS 86 HG2 LYS 86 108.822 -9.023 -5.593 691 2HG LYS 86 HG1 LYS 86 107.788 -10.058 -4.606 692 1HD LYS 86 HD2 LYS 86 108.750 -7.285 -3.895 693 2HD LYS 86 HD1 LYS 86 107.122 -7.726 -4.404 694 1HE LYS 86 HE2 LYS 86 106.851 -9.090 -2.404 695 2HE LYS 86 HE1 LYS 86 108.505 -8.719 -1.911 696 1HZ LYS 86 HZ1 LYS 86 106.980 -7.290 -0.742 697 2HZ LYS 86 HZ2 LYS 86 106.259 -6.805 -2.174 698 3HZ LYS 86 HZ3 LYS 86 107.840 -6.348 -1.845 699 H GLU 87 HN GLU 87 109.081 -11.379 -6.645 700 HA GLU 87 HA GLU 87 107.280 -13.306 -5.766 701 1HB GLU 87 HB2 GLU 87 107.017 -12.014 -7.832 702 2HB GLU 87 HB1 GLU 87 108.370 -12.878 -8.545 703 1HG GLU 87 HG2 GLU 87 106.310 -13.769 -9.374 704 2HG GLU 87 HG1 GLU 87 107.137 -14.945 -8.346 705 H VAL 88 HN VAL 88 110.274 -13.730 -7.616 706 HA VAL 88 HA VAL 88 110.111 -16.532 -7.722 707 HB VAL 88 HB VAL 88 112.637 -14.860 -7.873 708 1HG1 VAL 88 HG11 VAL 88 111.961 -17.592 -8.915 709 2HG1 VAL 88 HG12 VAL 88 113.058 -17.236 -7.584 710 3HG1 VAL 88 HG13 VAL 88 113.477 -16.741 -9.236 711 1HG2 VAL 88 HG21 VAL 88 110.744 -15.710 -10.058 712 2HG2 VAL 88 HG22 VAL 88 112.265 -14.845 -10.298 713 3HG2 VAL 88 HG23 VAL 88 110.926 -14.077 -9.437 714 H ILE 89 HN ILE 89 111.506 -14.362 -5.365 715 HA ILE 89 HA ILE 89 112.837 -16.327 -3.820 716 HB ILE 89 HB ILE 89 111.705 -13.686 -2.839 717 1HG1 ILE 89 HG12 ILE 89 114.470 -14.314 -3.910 718 2HG1 ILE 89 HG11 ILE 89 113.243 -13.360 -4.734 719 1HG2 ILE 89 HG21 ILE 89 113.828 -15.503 -1.676 720 2HG2 ILE 89 HG22 ILE 89 112.246 -15.124 -0.972 721 3HG2 ILE 89 HG23 ILE 89 113.473 -13.877 -1.099 722 1HD1 ILE 89 HD11 ILE 89 114.809 -11.832 -3.760 723 2HD1 ILE 89 HD12 ILE 89 114.731 -12.690 -2.228 724 3HD1 ILE 89 HD13 ILE 89 113.334 -11.780 -2.768 725 H THR 90 HN THR 90 109.595 -14.838 -3.570 726 HA THR 90 HA THR 90 108.786 -16.191 -1.267 727 HB THR 90 HB THR 90 106.446 -15.723 -1.899 728 HG1 THR 90 HG1 THR 90 107.551 -15.348 -4.467 729 1HG2 THR 90 HG21 THR 90 106.527 -13.311 -2.206 730 2HG2 THR 90 HG22 THR 90 108.207 -13.427 -2.709 731 3HG2 THR 90 HG23 THR 90 107.760 -13.824 -1.043 732 H ASN 91 HN ASN 91 108.910 -17.248 -4.574 733 HA ASN 91 HA ASN 91 107.246 -19.554 -4.208 734 1HB ASN 91 HB2 ASN 91 109.276 -19.155 -6.415 735 2HB ASN 91 HB1 ASN 91 107.902 -20.240 -6.423 736 1HD2 ASN 91 HD21 ASN 91 106.117 -18.049 -5.280 737 2HD2 ASN 91 HD22 ASN 91 105.907 -16.979 -6.620 738 H SER 92 HN SER 92 110.726 -18.946 -4.237 739 HA SER 92 HA SER 92 111.193 -21.804 -3.834 740 1HB SER 92 HB2 SER 92 112.320 -20.714 -5.751 741 2HB SER 92 HB1 SER 92 113.151 -19.637 -4.638 742 HG SER 92 HG SER 92 113.807 -21.845 -3.665 743 H ILE 93 HN ILE 93 110.572 -19.461 -1.748 744 HA ILE 93 HA ILE 93 112.990 -19.568 -0.180 745 HB ILE 93 HB ILE 93 111.341 -17.595 -0.207 746 1HG1 ILE 93 HG12 ILE 93 111.691 -17.128 2.241 747 2HG1 ILE 93 HG11 ILE 93 112.331 -18.763 2.390 748 1HG2 ILE 93 HG21 ILE 93 109.322 -18.925 0.127 749 2HG2 ILE 93 HG22 ILE 93 109.479 -17.654 1.352 750 3HG2 ILE 93 HG23 ILE 93 109.864 -19.336 1.750 751 1HD1 ILE 93 HD11 ILE 93 114.053 -18.178 0.690 752 2HD1 ILE 93 HD12 ILE 93 114.164 -17.251 2.175 753 3HD1 ILE 93 HD13 ILE 93 113.459 -16.510 0.740 754 H THR 94 HN THR 94 110.098 -21.303 -0.399 755 HA THR 94 HA THR 94 110.175 -22.745 2.024 756 HB THR 94 HB THR 94 108.166 -22.603 0.607 757 HG1 THR 94 HG1 THR 94 108.805 -25.357 0.591 758 1HG2 THR 94 HG21 THR 94 109.673 -24.354 -1.342 759 2HG2 THR 94 HG22 THR 94 109.238 -22.661 -1.574 760 3HG2 THR 94 HG23 THR 94 107.971 -23.890 -1.476 761 H GLN 95 HN GLN 95 112.125 -22.882 -0.769 762 HA GLN 95 HA GLN 95 113.690 -24.988 0.337 763 1HB GLN 95 HB2 GLN 95 113.816 -26.255 -1.834 764 2HB GLN 95 HB1 GLN 95 112.265 -26.374 -1.026 765 1HG GLN 95 HG2 GLN 95 111.329 -24.733 -2.582 766 2HG GLN 95 HG1 GLN 95 112.896 -24.600 -3.382 767 1HE2 GLN 95 HE21 GLN 95 110.354 -25.434 -4.466 768 2HE2 GLN 95 HE22 GLN 95 110.567 -27.033 -5.074 769 HA PRO 96 HA PRO 96 115.652 -21.355 -1.568 770 1HB PRO 96 HB2 PRO 96 117.140 -20.583 0.526 771 2HB PRO 96 HB1 PRO 96 115.427 -20.179 0.373 772 1HG PRO 96 HG2 PRO 96 116.745 -22.259 2.041 773 2HG PRO 96 HG1 PRO 96 115.336 -21.247 2.405 774 1HD PRO 96 HD2 PRO 96 115.226 -23.883 1.570 775 2HD PRO 96 HD1 PRO 96 113.901 -22.713 1.442 776 H THR 97 HN THR 97 117.803 -20.769 -1.966 777 HA THR 97 HA THR 97 119.809 -22.894 -1.772 778 HB THR 97 HB THR 97 120.505 -22.155 -4.070 779 HG1 THR 97 HG1 THR 97 117.867 -21.037 -4.254 780 1HG2 THR 97 HG21 THR 97 118.865 -23.529 -5.283 781 2HG2 THR 97 HG22 THR 97 117.809 -23.491 -3.861 782 3HG2 THR 97 HG23 THR 97 119.398 -24.260 -3.769 783 H LEU 98 HN LEU 98 121.868 -21.860 -2.586 784 HA LEU 98 HA LEU 98 122.527 -20.074 -0.534 785 1HB LEU 98 HB2 LEU 98 123.929 -21.781 -1.899 786 2HB LEU 98 HB1 LEU 98 124.227 -20.408 -2.950 787 HG LEU 98 HG LEU 98 125.115 -19.156 -1.027 788 1HD1 LEU 98 HD11 LEU 98 125.503 -20.387 1.073 789 2HD1 LEU 98 HD12 LEU 98 124.680 -21.788 0.353 790 3HD1 LEU 98 HD13 LEU 98 123.782 -20.326 0.650 791 1HD2 LEU 98 HD21 LEU 98 126.620 -20.430 -2.483 792 2HD2 LEU 98 HD22 LEU 98 126.367 -21.861 -1.486 793 3HD2 LEU 98 HD23 LEU 98 127.190 -20.451 -0.812 794 H HIS 99 HN HIS 99 121.435 -19.506 -3.759 795 HA HIS 99 HA HIS 99 121.959 -16.671 -3.338 796 1HB HIS 99 HB2 HIS 99 122.261 -18.255 -5.885 797 2HB HIS 99 HB1 HIS 99 122.020 -16.510 -5.916 798 HD1 HIS 99 HD1 HIS 99 124.158 -15.199 -5.928 799 HD2 HIS 99 HD2 HIS 99 124.642 -18.934 -4.166 800 HE1 HIS 99 HE1 HIS 99 126.524 -15.292 -5.179 801 HE2 HIS 99 HE2 HIS 99 126.861 -17.641 -4.365 802 H SER 100 HN SER 100 119.655 -17.846 -2.397 803 HA SER 100 HA SER 100 117.501 -17.443 -4.170 804 1HB SER 100 HB2 SER 100 117.550 -17.511 -1.117 805 2HB SER 100 HB1 SER 100 116.084 -17.433 -2.086 806 HG SER 100 HG SER 100 116.773 -19.357 -3.120 807 H PHE 101 HN PHE 101 119.440 -15.208 -2.351 808 HA PHE 101 HA PHE 101 117.503 -13.073 -2.971 809 1HB PHE 101 HB2 PHE 101 119.789 -12.975 -0.993 810 2HB PHE 101 HB1 PHE 101 118.540 -11.761 -1.221 811 HD1 PHE 101 HD1 PHE 101 116.149 -12.387 -0.634 812 HD2 PHE 101 HD2 PHE 101 119.516 -14.729 0.489 813 HE1 PHE 101 HE1 PHE 101 114.808 -13.493 1.123 814 HE2 PHE 101 HE2 PHE 101 118.173 -15.825 2.228 815 HZ PHE 101 HZ PHE 101 115.824 -15.203 2.534 816 H ASP 102 HN ASP 102 119.678 -14.416 -4.607 817 HA ASP 102 HA ASP 102 121.922 -12.732 -4.922 818 1HB ASP 102 HB2 ASP 102 121.850 -15.022 -5.770 819 2HB ASP 102 HB1 ASP 102 120.652 -14.542 -6.966 820 H ALA 103 HN ALA 103 118.843 -12.769 -6.642 821 HA ALA 103 HA ALA 103 119.663 -10.693 -8.445 822 1HB ALA 103 HB1 ALA 103 116.907 -11.780 -7.885 823 2HB ALA 103 HB2 ALA 103 118.006 -12.355 -9.141 824 3HB ALA 103 HB3 ALA 103 117.348 -10.719 -9.224 825 H ALA 104 HN ALA 104 117.855 -10.992 -5.508 826 HA ALA 104 HA ALA 104 116.877 -8.360 -5.424 827 1HB ALA 104 HB1 ALA 104 117.424 -10.170 -3.061 828 2HB ALA 104 HB2 ALA 104 115.987 -10.206 -4.100 829 3HB ALA 104 HB3 ALA 104 116.330 -8.769 -3.138 830 H GLN 105 HN GLN 105 119.821 -9.822 -4.269 831 HA GLN 105 HA GLN 105 121.056 -7.717 -2.962 832 1HB GLN 105 HB2 GLN 105 121.910 -10.052 -3.087 833 2HB GLN 105 HB1 GLN 105 122.250 -9.837 -4.787 834 1HG GLN 105 HG2 GLN 105 123.613 -8.237 -2.625 835 2HG GLN 105 HG1 GLN 105 124.212 -9.788 -3.187 836 1HE2 GLN 105 HE21 GLN 105 125.431 -7.189 -3.243 837 2HE2 GLN 105 HE22 GLN 105 125.841 -6.854 -4.893 838 H SER 106 HN SER 106 121.103 -8.590 -6.391 839 HA SER 106 HA SER 106 122.659 -6.400 -7.200 840 1HB SER 106 HB2 SER 106 120.810 -8.154 -8.819 841 2HB SER 106 HB1 SER 106 122.062 -7.090 -9.475 842 HG SER 106 HG SER 106 123.074 -8.628 -7.525 843 H ARG 107 HN ARG 107 119.180 -6.840 -6.913 844 HA ARG 107 HA ARG 107 118.353 -4.476 -8.214 845 1HB ARG 107 HB2 ARG 107 117.067 -5.914 -5.899 846 2HB ARG 107 HB1 ARG 107 116.322 -4.609 -6.802 847 1HG ARG 107 HG2 ARG 107 117.111 -7.301 -7.894 848 2HG ARG 107 HG1 ARG 107 115.480 -6.761 -7.490 849 1HD ARG 107 HD2 ARG 107 117.270 -5.520 -9.576 850 2HD ARG 107 HD1 ARG 107 115.957 -6.645 -9.903 851 HE ARG 107 HE ARG 107 115.003 -4.431 -8.429 852 1HH1 ARG 107 HH11 ARG 107 116.183 -5.266 -11.675 853 2HH1 ARG 107 HH12 ARG 107 115.158 -4.183 -12.493 854 1HH2 ARG 107 HH21 ARG 107 113.589 -2.871 -9.573 855 2HH2 ARG 107 HH22 ARG 107 113.718 -2.752 -11.261 856 H VAL 108 HN VAL 108 118.977 -5.079 -4.799 857 HA VAL 108 HA VAL 108 118.480 -2.415 -4.030 858 HB VAL 108 HB VAL 108 120.049 -4.550 -2.574 859 1HG1 VAL 108 HG11 VAL 108 118.775 -2.005 -1.632 860 2HG1 VAL 108 HG12 VAL 108 120.520 -2.327 -1.688 861 3HG1 VAL 108 HG13 VAL 108 119.478 -3.236 -0.578 862 1HG2 VAL 108 HG21 VAL 108 117.174 -3.709 -2.426 863 2HG2 VAL 108 HG22 VAL 108 117.942 -4.948 -1.420 864 3HG2 VAL 108 HG23 VAL 108 117.790 -5.179 -3.168 865 H TYR 109 HN TYR 109 121.407 -4.087 -4.890 866 HA TYR 109 HA TYR 109 123.282 -2.135 -4.339 867 1HB TYR 109 HB2 TYR 109 124.186 -4.143 -4.925 868 2HB TYR 109 HB1 TYR 109 123.053 -4.426 -6.218 869 HD1 TYR 109 HD1 TYR 109 126.291 -3.013 -5.262 870 HD2 TYR 109 HD2 TYR 109 123.530 -3.497 -8.457 871 HE1 TYR 109 HE1 TYR 109 128.050 -2.430 -6.864 872 HE2 TYR 109 HE2 TYR 109 125.255 -2.916 -10.069 873 HH TYR 109 HH TYR 109 128.414 -3.016 -9.420 874 H GLN 110 HN GLN 110 121.391 -2.544 -7.376 875 HA GLN 110 HA GLN 110 122.468 -0.143 -8.452 876 1HB GLN 110 HB2 GLN 110 120.630 -0.364 -10.200 877 2HB GLN 110 HB1 GLN 110 121.804 -1.666 -10.103 878 1HG GLN 110 HG2 GLN 110 120.285 -3.082 -9.042 879 2HG GLN 110 HG1 GLN 110 119.121 -1.805 -8.756 880 1HE2 GLN 110 HE21 GLN 110 118.929 -4.369 -10.140 881 2HE2 GLN 110 HE22 GLN 110 118.382 -4.032 -11.739 882 H LEU 111 HN LEU 111 119.547 -0.864 -6.652 883 HA LEU 111 HA LEU 111 118.112 1.517 -6.895 884 1HB LEU 111 HB2 LEU 111 118.586 -0.064 -4.367 885 2HB LEU 111 HB1 LEU 111 117.347 1.145 -4.584 886 HG LEU 111 HG LEU 111 117.485 -1.486 -6.039 887 1HD1 LEU 111 HD11 LEU 111 117.104 -1.725 -3.635 888 2HD1 LEU 111 HD12 LEU 111 115.669 -2.147 -4.572 889 3HD1 LEU 111 HD13 LEU 111 115.755 -0.593 -3.741 890 1HD2 LEU 111 HD21 LEU 111 115.197 -0.952 -6.718 891 2HD2 LEU 111 HD22 LEU 111 116.329 0.268 -7.305 892 3HD2 LEU 111 HD23 LEU 111 115.313 0.609 -5.904 893 H MET 112 HN MET 112 120.548 0.654 -4.501 894 HA MET 112 HA MET 112 120.684 3.203 -3.335 895 1HB MET 112 HB2 MET 112 122.669 0.946 -3.267 896 2HB MET 112 HB1 MET 112 122.824 2.418 -2.325 897 1HG MET 112 HG2 MET 112 120.716 1.904 -1.192 898 2HG MET 112 HG1 MET 112 120.589 0.414 -2.132 899 1HE MET 112 HE1 MET 112 123.802 -1.509 -0.923 900 2HE MET 112 HE2 MET 112 123.644 -0.411 -2.290 901 3HE MET 112 HE3 MET 112 122.364 -1.576 -1.937 902 H GLU 113 HN GLU 113 122.391 1.777 -6.026 903 HA GLU 113 HA GLU 113 124.408 3.713 -6.193 904 1HB GLU 113 HB2 GLU 113 124.437 1.539 -7.413 905 2HB GLU 113 HB1 GLU 113 123.169 2.164 -8.464 906 1HG GLU 113 HG2 GLU 113 124.656 3.913 -9.258 907 2HG GLU 113 HG1 GLU 113 125.928 3.340 -8.185 908 H GLN 114 HN GLN 114 121.426 3.507 -8.164 909 HA GLN 114 HA GLN 114 121.877 6.067 -9.308 910 1HB GLN 114 HB2 GLN 114 119.586 5.843 -10.252 911 2HB GLN 114 HB1 GLN 114 120.653 4.495 -10.601 912 1HG GLN 114 HG2 GLN 114 119.583 3.170 -8.903 913 2HG GLN 114 HG1 GLN 114 118.544 4.526 -8.458 914 1HE2 GLN 114 HE21 GLN 114 119.249 2.130 -10.903 915 2HE2 GLN 114 HE22 GLN 114 117.747 2.270 -11.723 916 H ASP 115 HN ASP 115 120.359 5.130 -6.410 917 HA ASP 115 HA ASP 115 119.027 7.722 -6.187 918 1HB ASP 115 HB2 ASP 115 117.694 5.797 -5.568 919 2HB ASP 115 HB1 ASP 115 118.905 5.303 -4.392 920 H SER 116 HN SER 116 121.181 5.743 -4.130 921 HA SER 116 HA SER 116 121.656 8.161 -2.581 922 1HB SER 116 HB2 SER 116 120.691 6.237 -1.397 923 2HB SER 116 HB1 SER 116 122.117 5.282 -1.800 924 HG SER 116 HG SER 116 123.349 6.860 -0.626 925 H TYR 117 HN TYR 117 123.381 6.167 -4.813 926 HA TYR 117 HA TYR 117 125.937 6.557 -3.607 927 1HB TYR 117 HB2 TYR 117 125.790 4.665 -4.961 928 2HB TYR 117 HB1 TYR 117 125.036 5.576 -6.288 929 HD1 TYR 117 HD1 TYR 117 126.298 5.765 -8.129 930 HD2 TYR 117 HD2 TYR 117 128.267 5.708 -4.368 931 HE1 TYR 117 HE1 TYR 117 128.453 5.985 -9.264 932 HE2 TYR 117 HE2 TYR 117 130.437 5.928 -5.508 933 HH TYR 117 HH TYR 117 131.424 5.657 -7.554 934 H THR 118 HN THR 118 124.339 8.079 -6.336 935 HA THR 118 HA THR 118 126.270 10.050 -6.794 936 HB THR 118 HB THR 118 124.621 9.787 -8.453 937 HG1 THR 118 HG1 THR 118 124.962 11.910 -8.421 938 1HG2 THR 118 HG21 THR 118 122.194 9.951 -8.069 939 2HG2 THR 118 HG22 THR 118 122.501 10.207 -6.347 940 3HG2 THR 118 HG23 THR 118 122.943 8.676 -7.100 941 H ARG 119 HN ARG 119 123.570 9.915 -4.577 942 HA ARG 119 HA ARG 119 123.744 12.464 -3.418 943 1HB ARG 119 HB2 ARG 119 121.843 10.891 -3.203 944 2HB ARG 119 HB1 ARG 119 122.843 9.829 -2.236 945 1HG ARG 119 HG2 ARG 119 121.304 11.058 -0.858 946 2HG ARG 119 HG1 ARG 119 122.963 11.533 -0.504 947 1HD ARG 119 HD2 ARG 119 122.699 13.553 -1.770 948 2HD ARG 119 HD1 ARG 119 121.090 13.057 -2.296 949 HE ARG 119 HE ARG 119 121.176 13.049 0.501 950 1HH1 ARG 119 HH11 ARG 119 121.343 15.386 -2.123 951 2HH1 ARG 119 HH12 ARG 119 120.477 16.618 -1.313 952 1HH2 ARG 119 HH21 ARG 119 120.074 14.757 1.687 953 2HH2 ARG 119 HH22 ARG 119 119.734 16.228 0.916 954 H PHE 120 HN PHE 120 125.240 9.360 -2.603 955 HA PHE 120 HA PHE 120 126.722 10.160 -0.389 956 1HB PHE 120 HB2 PHE 120 126.412 7.826 -0.782 957 2HB PHE 120 HB1 PHE 120 127.112 7.935 -2.390 958 HD1 PHE 120 HD1 PHE 120 129.386 7.599 -2.725 959 HD2 PHE 120 HD2 PHE 120 127.928 8.144 1.233 960 HE1 PHE 120 HE1 PHE 120 131.572 6.948 -1.836 961 HE2 PHE 120 HE2 PHE 120 130.150 7.486 2.123 962 HZ PHE 120 HZ PHE 120 131.948 6.896 0.588 963 H LEU 121 HN LEU 121 127.467 10.307 -3.825 964 HA LEU 121 HA LEU 121 130.135 11.098 -3.443 965 1HB LEU 121 HB2 LEU 121 128.313 11.629 -5.785 966 2HB LEU 121 HB1 LEU 121 130.041 11.942 -5.786 967 HG LEU 121 HG LEU 121 128.752 9.236 -5.445 968 1HD1 LEU 121 HD11 LEU 121 129.687 8.738 -7.630 969 2HD1 LEU 121 HD12 LEU 121 130.298 10.390 -7.761 970 3HD1 LEU 121 HD13 LEU 121 128.558 10.091 -7.721 971 1HD2 LEU 121 HD21 LEU 121 130.864 9.543 -4.193 972 2HD2 LEU 121 HD22 LEU 121 131.663 9.977 -5.693 973 3HD2 LEU 121 HD23 LEU 121 131.002 8.348 -5.489 974 H LYS 122 HN LYS 122 127.192 12.885 -3.234 975 HA LYS 122 HA LYS 122 128.733 15.356 -2.737 976 1HB LYS 122 HB2 LYS 122 125.750 14.913 -2.968 977 2HB LYS 122 HB1 LYS 122 126.500 16.450 -2.609 978 1HG LYS 122 HG2 LYS 122 126.868 14.908 -5.177 979 2HG LYS 122 HG1 LYS 122 125.716 16.217 -4.946 980 1HD LYS 122 HD2 LYS 122 127.488 17.331 -5.943 981 2HD LYS 122 HD1 LYS 122 127.847 17.569 -4.235 982 1HE LYS 122 HE2 LYS 122 129.869 16.967 -5.378 983 2HE LYS 122 HE1 LYS 122 129.384 15.630 -4.338 984 1HZ LYS 122 HZ1 LYS 122 130.070 14.791 -6.479 985 2HZ LYS 122 HZ2 LYS 122 129.013 15.787 -7.295 986 3HZ LYS 122 HZ3 LYS 122 128.404 14.552 -6.358 987 H SER 123 HN SER 123 127.858 12.758 -0.951 988 HA SER 123 HA SER 123 126.687 13.974 1.340 989 1HB SER 123 HB2 SER 123 127.024 11.901 2.490 990 2HB SER 123 HB1 SER 123 126.559 11.520 0.834 991 HG SER 123 HG SER 123 128.783 11.185 0.381 992 H ASP 124 HN ASP 124 127.581 14.261 3.380 993 HA ASP 124 HA ASP 124 129.956 15.758 3.458 994 1HB ASP 124 HB2 ASP 124 128.152 16.121 5.050 995 2HB ASP 124 HB1 ASP 124 128.337 14.492 5.678 996 H ILE 125 HN ILE 125 129.293 12.393 4.417 997 HA ILE 125 HA ILE 125 131.856 11.957 5.460 998 HB ILE 125 HB ILE 125 130.030 10.397 6.014 999 1HG1 ILE 125 HG12 ILE 125 131.219 8.241 5.739 1000 2HG1 ILE 125 HG11 ILE 125 132.303 9.003 4.585 1001 1HG2 ILE 125 HG21 ILE 125 129.198 8.729 4.473 1002 2HG2 ILE 125 HG22 ILE 125 130.221 9.364 3.201 1003 3HG2 ILE 125 HG23 ILE 125 128.890 10.349 3.829 1004 1HD1 ILE 125 HD11 ILE 125 133.110 10.494 6.344 1005 2HD1 ILE 125 HD12 ILE 125 133.332 8.796 6.772 1006 3HD1 ILE 125 HD13 ILE 125 132.018 9.722 7.493 1007 H TYR 126 HN TYR 126 130.655 11.480 2.139 1008 HA TYR 126 HA TYR 126 133.154 10.378 1.319 1009 1HB TYR 126 HB2 TYR 126 131.114 9.854 0.069 1010 2HB TYR 126 HB1 TYR 126 130.960 11.543 -0.399 1011 HD1 TYR 126 HD1 TYR 126 131.824 12.206 -2.457 1012 HD2 TYR 126 HD2 TYR 126 133.392 8.729 -0.589 1013 HE1 TYR 126 HE1 TYR 126 133.260 11.844 -4.374 1014 HE2 TYR 126 HE2 TYR 126 134.804 8.311 -2.515 1015 HH TYR 126 HH TYR 126 135.115 8.919 -4.707 1016 H LEU 127 HN LEU 127 131.763 13.588 1.287 1017 HA LEU 127 HA LEU 127 133.837 14.824 -0.159 1018 1HB LEU 127 HB2 LEU 127 131.927 15.899 1.905 1019 2HB LEU 127 HB1 LEU 127 132.958 16.952 0.985 1020 HG LEU 127 HG LEU 127 130.684 15.241 -0.022 1021 1HD1 LEU 127 HD11 LEU 127 131.079 18.217 0.005 1022 2HD1 LEU 127 HD12 LEU 127 129.982 17.284 1.027 1023 3HD1 LEU 127 HD13 LEU 127 129.716 17.359 -0.715 1024 1HD2 LEU 127 HD21 LEU 127 132.567 16.933 -1.668 1025 2HD2 LEU 127 HD22 LEU 127 131.112 16.111 -2.252 1026 3HD2 LEU 127 HD23 LEU 127 132.484 15.169 -1.671 1027 H ASP 128 HN ASP 128 133.513 13.836 3.119 1028 HA ASP 128 HA ASP 128 135.785 15.208 4.171 1029 1HB ASP 128 HB2 ASP 128 133.859 14.507 5.536 1030 2HB ASP 128 HB1 ASP 128 134.234 12.828 5.198 1031 H LEU 129 HN LEU 129 135.231 12.153 2.593 1032 HA LEU 129 HA LEU 129 137.830 11.021 3.163 1033 1HB LEU 129 HB2 LEU 129 136.126 10.238 0.766 1034 2HB LEU 129 HB1 LEU 129 137.316 9.336 1.620 1035 HG LEU 129 HG LEU 129 134.744 10.082 2.963 1036 1HD1 LEU 129 HD11 LEU 129 134.217 8.815 0.987 1037 2HD1 LEU 129 HD12 LEU 129 134.004 7.814 2.427 1038 3HD1 LEU 129 HD13 LEU 129 135.432 7.614 1.408 1039 1HD2 LEU 129 HD21 LEU 129 136.845 7.988 3.512 1040 2HD2 LEU 129 HD22 LEU 129 135.321 8.152 4.372 1041 3HD2 LEU 129 HD23 LEU 129 136.533 9.439 4.475 1042 H MET 130 HN MET 130 136.365 13.043 0.800 1043 HA MET 130 HA MET 130 138.333 13.003 -1.214 1044 1HB MET 130 HB2 MET 130 136.348 15.055 -0.419 1045 2HB MET 130 HB1 MET 130 137.403 15.276 -1.802 1046 1HG MET 130 HG2 MET 130 135.302 13.071 -1.516 1047 2HG MET 130 HG1 MET 130 135.158 14.527 -2.479 1048 1HE MET 130 HE1 MET 130 136.650 10.909 -2.228 1049 2HE MET 130 HE2 MET 130 138.089 11.890 -1.977 1050 3HE MET 130 HE3 MET 130 137.931 10.937 -3.448 1051 H GLU 131 HN GLU 131 137.846 15.230 1.490 1052 HA GLU 131 HA GLU 131 140.258 16.642 0.919 1053 1HB GLU 131 HB2 GLU 131 139.900 17.740 3.098 1054 2HB GLU 131 HB1 GLU 131 138.454 17.769 2.104 1055 1HG GLU 131 HG2 GLU 131 137.498 15.961 3.398 1056 2HG GLU 131 HG1 GLU 131 138.976 15.843 4.353 1057 H GLY 132 HN GLY 132 139.527 13.743 2.353 1058 1HA GLY 132 HA2 GLY 132 140.863 12.099 3.313 1059 2HA GLY 132 HA1 GLY 132 142.253 13.111 2.928 1060 H ARG 133 HN ARG 133 139.493 13.020 5.069 1061 HA ARG 133 HA ARG 133 139.942 14.683 7.101 1062 1HB ARG 133 HB2 ARG 133 138.088 13.130 6.937 1063 2HB ARG 133 HB1 ARG 133 139.146 11.806 7.385 1064 1HG ARG 133 HG2 ARG 133 139.504 12.941 9.587 1065 2HG ARG 133 HG1 ARG 133 138.249 14.104 9.116 1066 1HD ARG 133 HD2 ARG 133 136.788 12.104 8.637 1067 2HD ARG 133 HD1 ARG 133 138.001 11.136 9.459 1068 HE ARG 133 HE ARG 133 137.501 12.375 11.469 1069 1HH1 ARG 133 HH11 ARG 133 135.265 12.740 8.747 1070 2HH1 ARG 133 HH12 ARG 133 133.873 12.987 9.693 1071 1HH2 ARG 133 HH21 ARG 133 135.517 12.666 12.847 1072 2HH2 ARG 133 HH22 ARG 133 134.028 12.911 12.038 1073 HA PRO 134 HA PRO 134 143.859 13.158 8.801 1074 1HB PRO 134 HB2 PRO 134 143.945 15.764 10.118 1075 2HB PRO 134 HB1 PRO 134 145.059 15.096 8.923 1076 1HG PRO 134 HG2 PRO 134 143.396 17.168 8.376 1077 2HG PRO 134 HG1 PRO 134 143.907 15.992 7.151 1078 1HD PRO 134 HD2 PRO 134 141.344 16.132 8.689 1079 2HD PRO 134 HD1 PRO 134 141.608 15.779 6.967 Start of MODEL 4 1 1H SER 1 HT1 SER 1 138.500 3.697 9.278 2 2H SER 1 HT2 SER 1 137.621 2.259 9.462 3 3H SER 1 HT3 SER 1 137.216 3.323 8.215 4 HA SER 1 HA SER 1 139.683 1.755 8.511 5 1HB SER 1 HB2 SER 1 137.541 0.614 7.739 6 2HB SER 1 HB1 SER 1 137.538 1.706 6.358 7 HG SER 1 HG SER 1 139.196 0.708 5.508 8 H MET 2 HN MET 2 141.294 2.180 6.905 9 HA MET 2 HA MET 2 141.300 4.978 6.092 10 1HB MET 2 HB2 MET 2 143.173 4.320 7.417 11 2HB MET 2 HB1 MET 2 143.499 2.945 6.375 12 1HG MET 2 HG2 MET 2 145.096 4.748 6.002 13 2HG MET 2 HG1 MET 2 144.131 4.440 4.562 14 1HE MET 2 HE1 MET 2 145.896 7.050 4.908 15 2HE MET 2 HE2 MET 2 144.782 8.294 4.339 16 3HE MET 2 HE3 MET 2 144.885 6.748 3.493 17 H VAL 3 HN VAL 3 140.988 5.564 4.106 18 HA VAL 3 HA VAL 3 141.810 3.794 1.956 19 HB VAL 3 HB VAL 3 139.428 3.696 1.803 20 1HG1 VAL 3 HG11 VAL 3 139.376 6.677 2.180 21 2HG1 VAL 3 HG12 VAL 3 138.879 5.435 3.352 22 3HG1 VAL 3 HG13 VAL 3 137.992 5.629 1.833 23 1HG2 VAL 3 HG21 VAL 3 138.883 4.647 -0.275 24 2HG2 VAL 3 HG22 VAL 3 140.635 4.400 -0.378 25 3HG2 VAL 3 HG23 VAL 3 139.954 6.006 -0.062 26 H SER 4 HN SER 4 143.153 4.632 0.535 27 HA SER 4 HA SER 4 144.258 7.212 0.880 28 1HB SER 4 HB2 SER 4 144.388 5.345 -1.516 29 2HB SER 4 HB1 SER 4 145.520 6.646 -1.135 30 HG SER 4 HG SER 4 146.217 5.516 0.653 31 HA PRO 5 HA PRO 5 140.960 9.575 -0.916 32 1HB PRO 5 HB2 PRO 5 142.600 11.575 -1.994 33 2HB PRO 5 HB1 PRO 5 141.858 11.567 -0.393 34 1HG PRO 5 HG2 PRO 5 144.622 10.828 -1.207 35 2HG PRO 5 HG1 PRO 5 144.055 11.600 0.283 36 1HD PRO 5 HD2 PRO 5 144.788 9.031 0.231 37 2HD PRO 5 HD1 PRO 5 143.426 9.585 1.231 38 H GLU 6 HN GLU 6 143.728 8.698 -2.831 39 HA GLU 6 HA GLU 6 142.786 9.328 -5.407 40 1HB GLU 6 HB2 GLU 6 144.481 6.952 -4.632 41 2HB GLU 6 HB1 GLU 6 144.403 7.718 -6.209 42 1HG GLU 6 HG2 GLU 6 145.397 9.744 -5.274 43 2HG GLU 6 HG1 GLU 6 145.473 8.970 -3.691 44 H GLU 7 HN GLU 7 142.524 6.341 -3.503 45 HA GLU 7 HA GLU 7 140.920 4.932 -5.392 46 1HB GLU 7 HB2 GLU 7 142.283 3.795 -3.671 47 2HB GLU 7 HB1 GLU 7 141.262 4.486 -2.418 48 1HG GLU 7 HG2 GLU 7 140.495 2.307 -2.664 49 2HG GLU 7 HG1 GLU 7 139.335 3.293 -3.543 50 H ALA 8 HN ALA 8 140.324 7.105 -2.755 51 HA ALA 8 HA ALA 8 137.578 6.517 -2.518 52 1HB ALA 8 HB1 ALA 8 137.384 8.587 -1.180 53 2HB ALA 8 HB2 ALA 8 139.003 9.059 -1.707 54 3HB ALA 8 HB3 ALA 8 138.792 7.603 -0.717 55 H VAL 9 HN VAL 9 139.307 9.001 -4.461 56 HA VAL 9 HA VAL 9 136.914 10.013 -5.585 57 HB VAL 9 HB VAL 9 138.152 11.089 -7.320 58 1HG1 VAL 9 HG11 VAL 9 139.879 11.100 -4.881 59 2HG1 VAL 9 HG12 VAL 9 138.424 12.044 -5.129 60 3HG1 VAL 9 HG13 VAL 9 139.850 12.339 -6.141 61 1HG2 VAL 9 HG21 VAL 9 139.531 9.288 -8.124 62 2HG2 VAL 9 HG22 VAL 9 140.511 9.348 -6.658 63 3HG2 VAL 9 HG23 VAL 9 140.527 10.703 -7.787 64 H LYS 10 HN LYS 10 138.771 7.250 -6.266 65 HA LYS 10 HA LYS 10 137.720 6.511 -8.773 66 1HB LYS 10 HB2 LYS 10 138.717 4.782 -6.502 67 2HB LYS 10 HB1 LYS 10 138.413 4.209 -8.136 68 1HG LYS 10 HG2 LYS 10 140.342 6.437 -7.554 69 2HG LYS 10 HG1 LYS 10 140.819 4.739 -7.528 70 1HD LYS 10 HD2 LYS 10 139.445 6.008 -9.873 71 2HD LYS 10 HD1 LYS 10 141.206 5.980 -9.695 72 1HE LYS 10 HE2 LYS 10 141.255 3.624 -9.666 73 2HE LYS 10 HE1 LYS 10 139.507 3.521 -9.510 74 1HZ LYS 10 HZ1 LYS 10 140.306 3.015 -11.723 75 2HZ LYS 10 HZ2 LYS 10 140.898 4.596 -11.920 76 3HZ LYS 10 HZ3 LYS 10 139.237 4.308 -11.690 77 H TRP 11 HN TRP 11 136.401 6.329 -5.552 78 HA TRP 11 HA TRP 11 134.338 4.459 -6.046 79 1HB TRP 11 HB2 TRP 11 134.519 6.708 -4.043 80 2HB TRP 11 HB1 TRP 11 133.248 5.503 -4.016 81 HD1 TRP 11 HD1 TRP 11 135.927 3.389 -4.899 82 HE1 TRP 11 HE1 TRP 11 137.152 2.411 -2.893 83 HE3 TRP 11 HE3 TRP 11 134.223 6.584 -1.300 84 HZ2 TRP 11 HZ2 TRP 11 137.356 2.903 -0.117 85 HZ3 TRP 11 HZ3 TRP 11 134.964 6.236 1.026 86 HH2 TRP 11 HH2 TRP 11 136.503 4.444 1.588 87 H GLY 12 HN GLY 12 134.757 7.766 -6.796 88 1HA GLY 12 HA2 GLY 12 132.017 8.382 -7.318 89 2HA GLY 12 HA1 GLY 12 133.414 9.340 -7.785 90 H GLU 13 HN GLU 13 134.195 6.433 -8.937 91 HA GLU 13 HA GLU 13 133.211 7.007 -11.604 92 1HB GLU 13 HB2 GLU 13 134.774 4.621 -10.620 93 2HB GLU 13 HB1 GLU 13 134.493 5.066 -12.289 94 1HG GLU 13 HG2 GLU 13 135.855 7.068 -11.966 95 2HG GLU 13 HG1 GLU 13 136.146 6.577 -10.290 96 H SER 14 HN SER 14 132.958 4.453 -9.151 97 HA SER 14 HA SER 14 130.435 3.606 -10.303 98 1HB SER 14 HB2 SER 14 132.801 1.757 -9.964 99 2HB SER 14 HB1 SER 14 131.175 1.273 -10.439 100 HG SER 14 HG SER 14 131.398 2.676 -12.228 101 H PHE 15 HN PHE 15 129.062 3.297 -8.696 102 HA PHE 15 HA PHE 15 129.594 3.298 -5.977 103 1HB PHE 15 HB2 PHE 15 127.379 3.772 -6.831 104 2HB PHE 15 HB1 PHE 15 127.252 2.170 -7.531 105 HD1 PHE 15 HD1 PHE 15 125.755 0.822 -6.459 106 HD2 PHE 15 HD2 PHE 15 128.007 3.575 -4.145 107 HE1 PHE 15 HE1 PHE 15 124.636 0.024 -4.411 108 HE2 PHE 15 HE2 PHE 15 126.882 2.763 -2.104 109 HZ PHE 15 HZ PHE 15 125.206 1.002 -2.252 110 H ASP 16 HN ASP 16 129.634 0.663 -8.262 111 HA ASP 16 HA ASP 16 129.508 -1.466 -6.438 112 1HB ASP 16 HB2 ASP 16 129.945 -2.893 -8.198 113 2HB ASP 16 HB1 ASP 16 129.498 -1.456 -9.102 114 H LYS 17 HN LYS 17 132.320 0.412 -7.543 115 HA LYS 17 HA LYS 17 134.073 -1.384 -6.125 116 1HB LYS 17 HB2 LYS 17 135.936 0.063 -6.752 117 2HB LYS 17 HB1 LYS 17 134.951 -0.345 -8.143 118 1HG LYS 17 HG2 LYS 17 133.992 1.834 -8.191 119 2HG LYS 17 HG1 LYS 17 134.736 2.250 -6.647 120 1HD LYS 17 HD2 LYS 17 135.978 3.236 -8.483 121 2HD LYS 17 HD1 LYS 17 136.949 2.026 -7.654 122 1HE LYS 17 HE2 LYS 17 136.381 0.407 -9.417 123 2HE LYS 17 HE1 LYS 17 135.472 1.667 -10.253 124 1HZ LYS 17 HZ1 LYS 17 137.489 2.939 -10.498 125 2HZ LYS 17 HZ2 LYS 17 137.691 1.384 -11.138 126 3HZ LYS 17 HZ3 LYS 17 138.363 1.766 -9.624 127 H LEU 18 HN LEU 18 132.474 1.560 -5.503 128 HA LEU 18 HA LEU 18 133.705 2.359 -3.097 129 1HB LEU 18 HB2 LEU 18 132.122 3.816 -4.081 130 2HB LEU 18 HB1 LEU 18 130.926 2.554 -4.237 131 HG LEU 18 HG LEU 18 130.581 2.620 -1.773 132 1HD1 LEU 18 HD11 LEU 18 132.380 5.033 -1.899 133 2HD1 LEU 18 HD12 LEU 18 132.757 3.504 -1.114 134 3HD1 LEU 18 HD13 LEU 18 131.460 4.512 -0.488 135 1HD2 LEU 18 HD21 LEU 18 129.374 4.737 -1.754 136 2HD2 LEU 18 HD22 LEU 18 129.131 3.849 -3.259 137 3HD2 LEU 18 HD23 LEU 18 130.225 5.232 -3.218 138 H LEU 19 HN LEU 19 131.067 0.221 -3.828 139 HA LEU 19 HA LEU 19 130.398 -0.447 -1.183 140 1HB LEU 19 HB2 LEU 19 129.098 -0.394 -3.408 141 2HB LEU 19 HB1 LEU 19 129.685 -2.033 -3.584 142 HG LEU 19 HG LEU 19 128.579 -2.659 -1.511 143 1HD1 LEU 19 HD11 LEU 19 128.766 -0.400 -0.450 144 2HD1 LEU 19 HD12 LEU 19 127.144 -1.051 -0.337 145 3HD1 LEU 19 HD13 LEU 19 127.525 0.188 -1.545 146 1HD2 LEU 19 HD21 LEU 19 127.451 -2.858 -3.666 147 2HD2 LEU 19 HD22 LEU 19 126.874 -1.214 -3.536 148 3HD2 LEU 19 HD23 LEU 19 126.288 -2.443 -2.401 149 H SER 20 HN SER 20 132.379 -2.031 -3.672 150 HA SER 20 HA SER 20 132.723 -4.429 -2.140 151 1HB SER 20 HB2 SER 20 134.255 -3.434 -4.543 152 2HB SER 20 HB1 SER 20 134.299 -5.072 -3.890 153 HG SER 20 HG SER 20 131.825 -4.735 -4.184 154 H HIS 21 HN HIS 21 133.827 -1.465 -1.576 155 HA HIS 21 HA HIS 21 136.481 -2.330 -0.670 156 1HB HIS 21 HB2 HIS 21 135.566 0.012 -1.964 157 2HB HIS 21 HB1 HIS 21 135.858 0.471 -0.294 158 HD1 HIS 21 HD1 HIS 21 138.365 0.698 0.445 159 HD2 HIS 21 HD2 HIS 21 137.868 -0.904 -3.368 160 HE1 HIS 21 HE1 HIS 21 140.501 0.998 -0.628 161 HE2 HIS 21 HE2 HIS 21 140.153 0.198 -3.037 162 H ARG 22 HN ARG 22 136.654 -2.570 1.529 163 HA ARG 22 HA ARG 22 134.245 -2.442 3.054 164 1HB ARG 22 HB2 ARG 22 137.084 -2.772 4.061 165 2HB ARG 22 HB1 ARG 22 135.675 -2.833 5.101 166 1HG ARG 22 HG2 ARG 22 136.274 -5.070 4.723 167 2HG ARG 22 HG1 ARG 22 134.893 -4.791 3.671 168 1HD ARG 22 HD2 ARG 22 136.615 -6.073 2.524 169 2HD ARG 22 HD1 ARG 22 136.417 -4.486 1.774 170 HE ARG 22 HE ARG 22 138.403 -4.111 3.576 171 1HH1 ARG 22 HH11 ARG 22 138.011 -6.464 0.920 172 2HH1 ARG 22 HH12 ARG 22 139.673 -6.479 0.538 173 1HH2 ARG 22 HH21 ARG 22 140.680 -4.187 3.048 174 2HH2 ARG 22 HH22 ARG 22 141.232 -5.195 1.800 175 H ASP 23 HN ASP 23 136.868 -0.286 2.609 176 HA ASP 23 HA ASP 23 136.276 1.622 4.646 177 1HB ASP 23 HB2 ASP 23 137.350 2.435 1.965 178 2HB ASP 23 HB1 ASP 23 137.733 3.083 3.551 179 H GLY 24 HN GLY 24 135.059 1.007 1.452 180 1HA GLY 24 HA2 GLY 24 133.718 3.562 1.259 181 2HA GLY 24 HA1 GLY 24 133.690 2.306 0.046 182 H LEU 25 HN LEU 25 132.899 0.179 1.545 183 HA LEU 25 HA LEU 25 130.176 0.400 1.800 184 1HB LEU 25 HB2 LEU 25 130.779 -1.790 1.753 185 2HB LEU 25 HB1 LEU 25 132.277 -1.505 2.600 186 HG LEU 25 HG LEU 25 129.712 -1.527 4.180 187 1HD1 LEU 25 HD11 LEU 25 131.284 -3.952 3.270 188 2HD1 LEU 25 HD12 LEU 25 129.655 -3.540 2.735 189 3HD1 LEU 25 HD13 LEU 25 129.950 -3.957 4.423 190 1HD2 LEU 25 HD21 LEU 25 131.227 -2.421 5.899 191 2HD2 LEU 25 HD22 LEU 25 131.907 -0.917 5.259 192 3HD2 LEU 25 HD23 LEU 25 132.533 -2.466 4.720 193 H GLU 26 HN GLU 26 132.716 0.959 4.086 194 HA GLU 26 HA GLU 26 131.109 1.533 6.315 195 1HB GLU 26 HB2 GLU 26 133.314 0.812 6.485 196 2HB GLU 26 HB1 GLU 26 133.941 2.179 5.580 197 1HG GLU 26 HG2 GLU 26 133.114 3.688 7.405 198 2HG GLU 26 HG1 GLU 26 132.717 2.242 8.335 199 H ALA 27 HN ALA 27 132.636 3.661 3.800 200 HA ALA 27 HA ALA 27 131.788 6.062 5.097 201 1HB ALA 27 HB1 ALA 27 132.527 5.651 2.156 202 2HB ALA 27 HB2 ALA 27 133.603 6.270 3.417 203 3HB ALA 27 HB3 ALA 27 132.180 7.188 2.929 204 H PHE 28 HN PHE 28 130.434 3.983 2.682 205 HA PHE 28 HA PHE 28 128.245 5.679 2.083 206 1HB PHE 28 HB2 PHE 28 129.148 4.014 0.477 207 2HB PHE 28 HB1 PHE 28 128.536 2.728 1.508 208 HD1 PHE 28 HD1 PHE 28 127.469 5.713 -0.395 209 HD2 PHE 28 HD2 PHE 28 126.342 1.938 1.229 210 HE1 PHE 28 HE1 PHE 28 125.307 5.870 -1.535 211 HE2 PHE 28 HE2 PHE 28 124.183 2.101 0.098 212 HZ PHE 28 HZ PHE 28 123.663 4.063 -1.291 213 H THR 29 HN THR 29 128.694 2.837 4.209 214 HA THR 29 HA THR 29 125.974 2.675 4.823 215 HB THR 29 HB THR 29 127.686 0.800 5.256 216 HG1 THR 29 HG1 THR 29 126.117 0.020 6.354 217 1HG2 THR 29 HG21 THR 29 129.341 2.110 6.525 218 2HG2 THR 29 HG22 THR 29 128.746 0.746 7.474 219 3HG2 THR 29 HG23 THR 29 128.153 2.375 7.803 220 H ARG 30 HN ARG 30 128.513 4.723 6.109 221 HA ARG 30 HA ARG 30 126.919 5.552 8.321 222 1HB ARG 30 HB2 ARG 30 129.326 6.875 7.071 223 2HB ARG 30 HB1 ARG 30 128.503 7.488 8.503 224 1HG ARG 30 HG2 ARG 30 128.897 5.116 9.446 225 2HG ARG 30 HG1 ARG 30 130.091 4.993 8.163 226 1HD ARG 30 HD2 ARG 30 130.019 7.278 10.074 227 2HD ARG 30 HD1 ARG 30 130.949 5.807 10.410 228 HE ARG 30 HE ARG 30 131.947 6.503 8.089 229 1HH1 ARG 30 HH11 ARG 30 130.969 8.717 10.673 230 2HH1 ARG 30 HH12 ARG 30 132.308 9.754 10.479 231 1HH2 ARG 30 HH21 ARG 30 133.747 7.879 7.846 232 2HH2 ARG 30 HH22 ARG 30 133.973 9.283 8.801 233 H PHE 31 HN PHE 31 127.337 6.751 5.056 234 HA PHE 31 HA PHE 31 125.624 8.988 5.422 235 1HB PHE 31 HB2 PHE 31 127.079 8.856 3.448 236 2HB PHE 31 HB1 PHE 31 126.229 7.412 2.897 237 HD1 PHE 31 HD1 PHE 31 125.851 11.013 3.552 238 HD2 PHE 31 HD2 PHE 31 124.241 7.573 1.653 239 HE1 PHE 31 HE1 PHE 31 124.234 12.424 2.375 240 HE2 PHE 31 HE2 PHE 31 122.618 8.982 0.472 241 HZ PHE 31 HZ PHE 31 122.610 11.410 0.840 242 H LEU 32 HN LEU 32 125.120 5.683 4.467 243 HA LEU 32 HA LEU 32 122.358 5.836 3.955 244 1HB LEU 32 HB2 LEU 32 124.088 4.083 3.316 245 2HB LEU 32 HB1 LEU 32 123.919 3.484 4.946 246 HG LEU 32 HG LEU 32 121.578 2.947 4.512 247 1HD1 LEU 32 HD11 LEU 32 120.710 3.097 2.233 248 2HD1 LEU 32 HD12 LEU 32 122.196 3.887 1.704 249 3HD1 LEU 32 HD13 LEU 32 121.119 4.698 2.843 250 1HD2 LEU 32 HD21 LEU 32 123.529 1.911 2.479 251 2HD2 LEU 32 HD22 LEU 32 122.020 1.133 2.962 252 3HD2 LEU 32 HD23 LEU 32 123.328 1.324 4.128 253 H LYS 33 HN LYS 33 124.260 5.538 6.803 254 HA LYS 33 HA LYS 33 122.198 4.778 8.618 255 1HB LYS 33 HB2 LYS 33 124.484 4.193 9.073 256 2HB LYS 33 HB1 LYS 33 124.979 5.869 8.990 257 1HG LYS 33 HG2 LYS 33 123.814 6.350 11.047 258 2HG LYS 33 HG1 LYS 33 123.177 4.700 11.096 259 1HD LYS 33 HD2 LYS 33 126.104 5.378 11.065 260 2HD LYS 33 HD1 LYS 33 125.188 5.076 12.553 261 1HE LYS 33 HE2 LYS 33 125.546 3.143 10.254 262 2HE LYS 33 HE1 LYS 33 126.431 3.089 11.777 263 1HZ LYS 33 HZ1 LYS 33 124.303 2.770 12.925 264 2HZ LYS 33 HZ2 LYS 33 124.618 1.532 11.823 265 3HZ LYS 33 HZ3 LYS 33 123.488 2.712 11.437 266 H THR 34 HN THR 34 123.676 7.853 7.617 267 HA THR 34 HA THR 34 122.238 9.305 9.574 268 HB THR 34 HB THR 34 124.348 10.228 8.560 269 HG1 THR 34 HG1 THR 34 122.705 12.281 7.876 270 1HG2 THR 34 HG21 THR 34 122.614 10.799 6.154 271 2HG2 THR 34 HG22 THR 34 123.950 9.652 6.213 272 3HG2 THR 34 HG23 THR 34 124.263 11.381 6.396 273 H GLU 35 HN GLU 35 121.441 8.206 6.356 274 HA GLU 35 HA GLU 35 118.920 9.644 6.513 275 1HB GLU 35 HB2 GLU 35 118.380 8.684 4.326 276 2HB GLU 35 HB1 GLU 35 119.957 9.458 4.304 277 1HG GLU 35 HG2 GLU 35 121.079 7.408 4.226 278 2HG GLU 35 HG1 GLU 35 119.634 6.506 4.689 279 H PHE 36 HN PHE 36 120.168 6.925 7.782 280 HA PHE 36 HA PHE 36 119.397 5.234 9.013 281 1HB PHE 36 HB2 PHE 36 116.802 6.734 8.774 282 2HB PHE 36 HB1 PHE 36 116.951 5.258 9.720 283 HD1 PHE 36 HD1 PHE 36 118.007 8.772 9.449 284 HD2 PHE 36 HD2 PHE 36 118.061 5.245 11.811 285 HE1 PHE 36 HE1 PHE 36 118.818 10.071 11.366 286 HE2 PHE 36 HE2 PHE 36 118.874 6.535 13.733 287 HZ PHE 36 HZ PHE 36 119.256 8.954 13.512 288 H SER 37 HN SER 37 119.273 5.056 6.005 289 HA SER 37 HA SER 37 117.260 2.947 5.665 290 1HB SER 37 HB2 SER 37 119.079 4.227 3.620 291 2HB SER 37 HB1 SER 37 117.749 3.118 3.289 292 HG SER 37 HG SER 37 117.674 5.668 3.376 293 H GLU 38 HN GLU 38 120.126 2.991 6.945 294 HA GLU 38 HA GLU 38 122.029 1.545 5.643 295 1HB GLU 38 HB2 GLU 38 122.801 0.798 7.894 296 2HB GLU 38 HB1 GLU 38 122.510 2.527 7.727 297 1HG GLU 38 HG2 GLU 38 120.379 2.304 8.852 298 2HG GLU 38 HG1 GLU 38 120.597 0.560 8.962 299 H GLU 39 HN GLU 39 119.120 0.226 6.882 300 HA GLU 39 HA GLU 39 119.840 -2.438 7.313 301 1HB GLU 39 HB2 GLU 39 117.173 -1.370 6.462 302 2HB GLU 39 HB1 GLU 39 117.490 -2.892 7.288 303 1HG GLU 39 HG2 GLU 39 118.365 -1.648 9.208 304 2HG GLU 39 HG1 GLU 39 117.978 -0.139 8.384 305 H ASN 40 HN ASN 40 119.381 -0.757 4.330 306 HA ASN 40 HA ASN 40 118.809 -3.194 2.902 307 1HB ASN 40 HB2 ASN 40 118.823 -1.780 0.822 308 2HB ASN 40 HB1 ASN 40 117.710 -1.267 2.074 309 1HD2 ASN 40 HD21 ASN 40 117.560 0.766 1.196 310 2HD2 ASN 40 HD22 ASN 40 118.846 1.927 1.304 311 H ILE 41 HN ILE 41 121.573 -1.185 3.385 312 HA ILE 41 HA ILE 41 123.297 -2.663 1.656 313 HB ILE 41 HB ILE 41 123.767 -0.331 2.894 314 1HG1 ILE 41 HG12 ILE 41 125.943 -2.387 2.340 315 2HG1 ILE 41 HG11 ILE 41 125.168 -1.334 1.184 316 1HG2 ILE 41 HG21 ILE 41 123.750 -1.369 5.273 317 2HG2 ILE 41 HG22 ILE 41 125.195 -0.462 4.876 318 3HG2 ILE 41 HG23 ILE 41 125.200 -2.209 4.803 319 1HD1 ILE 41 HD11 ILE 41 126.113 0.615 2.324 320 2HD1 ILE 41 HD12 ILE 41 127.318 -0.502 1.702 321 3HD1 ILE 41 HD13 ILE 41 126.958 -0.470 3.440 322 H GLU 42 HN GLU 42 122.312 -2.924 4.929 323 HA GLU 42 HA GLU 42 123.858 -5.186 5.606 324 1HB GLU 42 HB2 GLU 42 121.734 -3.548 6.798 325 2HB GLU 42 HB1 GLU 42 121.857 -5.198 7.376 326 1HG GLU 42 HG2 GLU 42 122.985 -3.317 8.563 327 2HG GLU 42 HG1 GLU 42 124.031 -4.800 8.314 328 H PHE 43 HN PHE 43 120.907 -4.715 3.870 329 HA PHE 43 HA PHE 43 119.712 -7.217 4.211 330 1HB PHE 43 HB2 PHE 43 118.438 -5.481 3.147 331 2HB PHE 43 HB1 PHE 43 119.666 -5.250 1.912 332 HD1 PHE 43 HD1 PHE 43 119.852 -6.812 0.034 333 HD2 PHE 43 HD2 PHE 43 116.841 -7.250 3.000 334 HE1 PHE 43 HE1 PHE 43 118.639 -8.345 -1.442 335 HE2 PHE 43 HE2 PHE 43 115.616 -8.762 1.528 336 HZ PHE 43 HZ PHE 43 116.520 -9.331 -0.698 337 H TRP 44 HN TRP 44 121.903 -6.062 1.595 338 HA TRP 44 HA TRP 44 122.113 -8.823 0.892 339 1HB TRP 44 HB2 TRP 44 123.896 -8.270 -0.804 340 2HB TRP 44 HB1 TRP 44 122.340 -7.512 -1.052 341 HD1 TRP 44 HD1 TRP 44 122.451 -5.085 -1.667 342 HE1 TRP 44 HE1 TRP 44 124.186 -3.237 -1.554 343 HE3 TRP 44 HE3 TRP 44 126.084 -7.540 0.980 344 HZ2 TRP 44 HZ2 TRP 44 126.751 -2.829 -0.428 345 HZ3 TRP 44 HZ3 TRP 44 128.148 -6.322 1.540 346 HH2 TRP 44 HH2 TRP 44 128.465 -4.007 0.838 347 H ILE 45 HN ILE 45 123.846 -6.935 3.027 348 HA ILE 45 HA ILE 45 126.015 -8.686 3.350 349 HB ILE 45 HB ILE 45 124.681 -6.740 5.234 350 1HG1 ILE 45 HG12 ILE 45 127.381 -6.862 3.902 351 2HG1 ILE 45 HG11 ILE 45 126.027 -5.841 3.449 352 1HG2 ILE 45 HG21 ILE 45 125.466 -8.612 6.629 353 2HG2 ILE 45 HG22 ILE 45 126.334 -7.116 6.929 354 3HG2 ILE 45 HG23 ILE 45 127.099 -8.400 5.978 355 1HD1 ILE 45 HD11 ILE 45 127.715 -4.590 4.599 356 2HD1 ILE 45 HD12 ILE 45 127.615 -5.678 5.986 357 3HD1 ILE 45 HD13 ILE 45 126.242 -4.652 5.571 358 H ALA 46 HN ALA 46 122.754 -8.694 4.700 359 HA ALA 46 HA ALA 46 122.981 -10.980 6.291 360 1HB ALA 46 HB1 ALA 46 120.995 -9.600 6.462 361 2HB ALA 46 HB2 ALA 46 120.494 -11.221 5.907 362 3HB ALA 46 HB3 ALA 46 120.609 -9.900 4.771 363 H CYS 47 HN CYS 47 122.561 -10.549 2.861 364 HA CYS 47 HA CYS 47 121.860 -13.253 2.268 365 1HB CYS 47 HB2 CYS 47 122.956 -11.123 0.426 366 2HB CYS 47 HB1 CYS 47 122.125 -12.597 -0.061 367 HG CYS 47 HG CYS 47 120.657 -10.082 1.758 368 H GLU 48 HN GLU 48 124.907 -11.428 2.189 369 HA GLU 48 HA GLU 48 126.380 -13.671 1.182 370 1HB GLU 48 HB2 GLU 48 126.968 -11.170 0.950 371 2HB GLU 48 HB1 GLU 48 127.505 -11.240 2.606 372 1HG GLU 48 HG2 GLU 48 128.676 -12.991 0.461 373 2HG GLU 48 HG1 GLU 48 129.255 -11.365 0.766 374 H ASP 49 HN ASP 49 125.694 -12.274 4.330 375 HA ASP 49 HA ASP 49 127.201 -14.080 5.903 376 1HB ASP 49 HB2 ASP 49 126.319 -12.034 6.872 377 2HB ASP 49 HB1 ASP 49 124.670 -12.553 6.549 378 H PHE 50 HN PHE 50 124.144 -14.266 4.374 379 HA PHE 50 HA PHE 50 123.090 -16.543 5.571 380 1HB PHE 50 HB2 PHE 50 121.663 -15.134 4.326 381 2HB PHE 50 HB1 PHE 50 122.708 -15.178 2.922 382 HD1 PHE 50 HD1 PHE 50 122.092 -16.436 1.169 383 HD2 PHE 50 HD2 PHE 50 120.637 -17.406 5.020 384 HE1 PHE 50 HE1 PHE 50 120.672 -18.162 0.178 385 HE2 PHE 50 HE2 PHE 50 119.214 -19.154 4.041 386 HZ PHE 50 HZ PHE 50 119.226 -19.523 1.615 387 H LYS 51 HN LYS 51 125.183 -16.160 2.738 388 HA LYS 51 HA LYS 51 125.295 -19.008 2.360 389 1HB LYS 51 HB2 LYS 51 126.897 -18.631 0.578 390 2HB LYS 51 HB1 LYS 51 125.546 -17.525 0.412 391 1HG LYS 51 HG2 LYS 51 126.893 -15.705 1.263 392 2HG LYS 51 HG1 LYS 51 128.237 -16.812 1.562 393 1HD LYS 51 HD2 LYS 51 128.329 -17.327 -0.825 394 2HD LYS 51 HD1 LYS 51 127.005 -16.204 -1.114 395 1HE LYS 51 HE2 LYS 51 129.176 -15.221 -1.668 396 2HE LYS 51 HE1 LYS 51 128.387 -14.356 -0.351 397 1HZ LYS 51 HZ1 LYS 51 129.836 -15.309 1.212 398 2HZ LYS 51 HZ2 LYS 51 130.802 -14.777 -0.032 399 3HZ LYS 51 HZ3 LYS 51 130.457 -16.441 0.114 400 H LYS 52 HN LYS 52 126.900 -16.871 4.413 401 HA LYS 52 HA LYS 52 129.328 -18.272 4.763 402 1HB LYS 52 HB2 LYS 52 127.789 -16.654 6.819 403 2HB LYS 52 HB1 LYS 52 129.467 -17.197 6.997 404 1HG LYS 52 HG2 LYS 52 130.062 -15.849 5.028 405 2HG LYS 52 HG1 LYS 52 128.400 -15.289 4.935 406 1HD LYS 52 HD2 LYS 52 128.637 -14.336 7.225 407 2HD LYS 52 HD1 LYS 52 130.348 -14.784 7.190 408 1HE LYS 52 HE2 LYS 52 130.659 -13.404 5.188 409 2HE LYS 52 HE1 LYS 52 128.961 -12.951 5.239 410 1HZ LYS 52 HZ1 LYS 52 129.419 -11.925 7.445 411 2HZ LYS 52 HZ2 LYS 52 130.213 -11.203 6.175 412 3HZ LYS 52 HZ3 LYS 52 131.076 -12.190 7.209 413 H SER 53 HN SER 53 126.143 -18.677 6.253 414 HA SER 53 HA SER 53 126.993 -21.049 7.608 415 1HB SER 53 HB2 SER 53 124.387 -21.324 7.782 416 2HB SER 53 HB1 SER 53 125.176 -20.055 8.728 417 HG SER 53 HG SER 53 124.145 -19.562 6.129 418 H LYS 54 HN LYS 54 127.260 -22.909 6.674 419 HA LYS 54 HA LYS 54 126.325 -23.138 3.910 420 1HB LYS 54 HB2 LYS 54 128.278 -24.749 3.644 421 2HB LYS 54 HB1 LYS 54 128.646 -23.047 3.840 422 1HG LYS 54 HG2 LYS 54 130.231 -24.162 5.154 423 2HG LYS 54 HG1 LYS 54 129.040 -23.574 6.305 424 1HD LYS 54 HD2 LYS 54 129.659 -25.812 6.917 425 2HD LYS 54 HD1 LYS 54 128.011 -25.854 6.286 426 1HE LYS 54 HE2 LYS 54 129.360 -27.715 5.430 427 2HE LYS 54 HE1 LYS 54 128.836 -26.639 4.134 428 1HZ LYS 54 HZ1 LYS 54 131.523 -26.634 5.412 429 2HZ LYS 54 HZ2 LYS 54 131.045 -25.611 4.159 430 3HZ LYS 54 HZ3 LYS 54 131.176 -27.272 3.899 431 H GLY 55 HN GLY 55 125.271 -24.180 6.670 432 1HA GLY 55 HA2 GLY 55 124.954 -26.998 6.013 433 2HA GLY 55 HA1 GLY 55 124.333 -26.181 7.451 434 HA PRO 56 HA PRO 56 121.571 -25.878 3.420 435 1HB PRO 56 HB2 PRO 56 120.753 -28.723 3.625 436 2HB PRO 56 HB1 PRO 56 121.138 -27.723 2.208 437 1HG PRO 56 HG2 PRO 56 122.847 -29.588 3.096 438 2HG PRO 56 HG1 PRO 56 123.394 -28.058 2.388 439 1HD PRO 56 HD2 PRO 56 123.244 -28.874 5.258 440 2HD PRO 56 HD1 PRO 56 124.497 -27.938 4.425 441 H GLN 57 HN GLN 57 120.908 -27.897 6.282 442 HA GLN 57 HA GLN 57 118.140 -27.293 6.393 443 1HB GLN 57 HB2 GLN 57 118.215 -27.879 8.782 444 2HB GLN 57 HB1 GLN 57 119.056 -29.087 7.809 445 1HG GLN 57 HG2 GLN 57 121.190 -28.079 8.467 446 2HG GLN 57 HG1 GLN 57 120.322 -26.883 9.424 447 1HE2 GLN 57 HE21 GLN 57 122.274 -28.802 10.181 448 2HE2 GLN 57 HE22 GLN 57 121.599 -29.784 11.429 449 H GLN 58 HN GLN 58 120.955 -25.645 7.600 450 HA GLN 58 HA GLN 58 119.679 -23.653 9.137 451 1HB GLN 58 HB2 GLN 58 122.065 -24.306 9.359 452 2HB GLN 58 HB1 GLN 58 122.386 -23.619 7.777 453 1HG GLN 58 HG2 GLN 58 123.111 -22.123 9.496 454 2HG GLN 58 HG1 GLN 58 121.760 -21.405 8.630 455 1HE2 GLN 58 HE21 GLN 58 121.489 -23.946 11.069 456 2HE2 GLN 58 HE22 GLN 58 120.687 -22.958 12.235 457 H ILE 59 HN ILE 59 120.555 -24.024 5.815 458 HA ILE 59 HA ILE 59 120.309 -21.421 4.867 459 HB ILE 59 HB ILE 59 119.569 -23.963 3.417 460 1HG1 ILE 59 HG12 ILE 59 121.799 -24.207 4.177 461 2HG1 ILE 59 HG11 ILE 59 121.886 -23.792 2.469 462 1HG2 ILE 59 HG21 ILE 59 120.289 -21.272 2.296 463 2HG2 ILE 59 HG22 ILE 59 118.706 -22.048 2.282 464 3HG2 ILE 59 HG23 ILE 59 120.037 -22.750 1.359 465 1HD1 ILE 59 HD11 ILE 59 122.491 -21.513 3.075 466 2HD1 ILE 59 HD12 ILE 59 123.572 -22.728 3.801 467 3HD1 ILE 59 HD13 ILE 59 122.355 -21.952 4.788 468 H HIS 60 HN HIS 60 117.895 -23.945 5.189 469 HA HIS 60 HA HIS 60 115.736 -22.498 4.031 470 1HB HIS 60 HB2 HIS 60 115.594 -24.724 6.083 471 2HB HIS 60 HB1 HIS 60 114.199 -24.056 5.252 472 HD1 HIS 60 HD1 HIS 60 113.521 -25.315 3.166 473 HD2 HIS 60 HD2 HIS 60 117.481 -25.929 4.232 474 HE1 HIS 60 HE1 HIS 60 114.384 -27.036 1.572 475 HE2 HIS 60 HE2 HIS 60 116.655 -27.626 2.527 476 H LEU 61 HN LEU 61 116.896 -22.747 7.297 477 HA LEU 61 HA LEU 61 114.833 -21.347 8.643 478 1HB LEU 61 HB2 LEU 61 117.731 -21.345 9.414 479 2HB LEU 61 HB1 LEU 61 116.328 -21.287 10.459 480 HG LEU 61 HG LEU 61 117.196 -23.674 8.849 481 1HD1 LEU 61 HD11 LEU 61 117.944 -24.599 10.934 482 2HD1 LEU 61 HD12 LEU 61 117.470 -23.104 11.774 483 3HD1 LEU 61 HD13 LEU 61 118.741 -23.067 10.539 484 1HD2 LEU 61 HD21 LEU 61 114.809 -23.627 9.253 485 2HD2 LEU 61 HD22 LEU 61 115.083 -23.413 10.989 486 3HD2 LEU 61 HD23 LEU 61 115.591 -24.907 10.175 487 H LYS 62 HN LYS 62 118.107 -20.414 7.836 488 HA LYS 62 HA LYS 62 118.041 -17.678 8.319 489 1HB LYS 62 HB2 LYS 62 119.629 -19.204 6.269 490 2HB LYS 62 HB1 LYS 62 119.874 -17.502 6.597 491 1HG LYS 62 HG2 LYS 62 120.189 -19.711 8.612 492 2HG LYS 62 HG1 LYS 62 121.505 -18.971 7.698 493 1HD LYS 62 HD2 LYS 62 120.857 -16.780 8.665 494 2HD LYS 62 HD1 LYS 62 119.679 -17.623 9.676 495 1HE LYS 62 HE2 LYS 62 121.740 -17.210 10.912 496 2HE LYS 62 HE1 LYS 62 121.492 -18.940 10.671 497 1HZ LYS 62 HZ1 LYS 62 123.778 -18.358 10.249 498 2HZ LYS 62 HZ2 LYS 62 123.305 -17.177 9.134 499 3HZ LYS 62 HZ3 LYS 62 123.081 -18.787 8.762 500 H ALA 63 HN ALA 63 117.374 -19.309 5.218 501 HA ALA 63 HA ALA 63 116.985 -16.981 3.705 502 1HB ALA 63 HB1 ALA 63 117.364 -19.217 2.712 503 2HB ALA 63 HB2 ALA 63 115.944 -18.405 2.050 504 3HB ALA 63 HB3 ALA 63 115.751 -19.673 3.270 505 H LYS 64 HN LYS 64 114.732 -19.070 5.391 506 HA LYS 64 HA LYS 64 112.436 -17.710 4.499 507 1HB LYS 64 HB2 LYS 64 112.622 -20.052 5.525 508 2HB LYS 64 HB1 LYS 64 112.593 -19.235 7.082 509 1HG LYS 64 HG2 LYS 64 110.397 -20.056 6.439 510 2HG LYS 64 HG1 LYS 64 110.424 -18.293 6.568 511 1HD LYS 64 HD2 LYS 64 110.561 -18.058 4.180 512 2HD LYS 64 HD1 LYS 64 110.754 -19.799 3.972 513 1HE LYS 64 HE2 LYS 64 108.325 -18.470 5.151 514 2HE LYS 64 HE1 LYS 64 108.477 -18.963 3.465 515 1HZ LYS 64 HZ1 LYS 64 108.650 -21.240 4.128 516 2HZ LYS 64 HZ2 LYS 64 107.302 -20.590 4.915 517 3HZ LYS 64 HZ3 LYS 64 108.719 -20.837 5.764 518 H ALA 65 HN ALA 65 114.523 -17.291 7.280 519 HA ALA 65 HA ALA 65 112.994 -15.378 8.662 520 1HB ALA 65 HB1 ALA 65 115.997 -15.686 8.574 521 2HB ALA 65 HB2 ALA 65 114.905 -16.535 9.670 522 3HB ALA 65 HB3 ALA 65 115.086 -14.784 9.785 523 H ILE 66 HN ILE 66 115.654 -14.979 6.343 524 HA ILE 66 HA ILE 66 115.492 -12.157 6.266 525 HB ILE 66 HB ILE 66 116.686 -14.044 4.188 526 1HG1 ILE 66 HG12 ILE 66 117.985 -12.581 6.506 527 2HG1 ILE 66 HG11 ILE 66 117.647 -14.304 6.444 528 1HG2 ILE 66 HG21 ILE 66 118.051 -12.081 3.512 529 2HG2 ILE 66 HG22 ILE 66 117.076 -11.070 4.586 530 3HG2 ILE 66 HG23 ILE 66 116.326 -11.876 3.200 531 1HD1 ILE 66 HD11 ILE 66 119.222 -14.462 4.505 532 2HD1 ILE 66 HD12 ILE 66 119.951 -13.966 6.024 533 3HD1 ILE 66 HD13 ILE 66 119.635 -12.756 4.790 534 H TYR 67 HN TYR 67 113.995 -14.681 4.352 535 HA TYR 67 HA TYR 67 112.651 -13.097 2.450 536 1HB TYR 67 HB2 TYR 67 112.709 -15.531 2.274 537 2HB TYR 67 HB1 TYR 67 111.818 -15.692 3.783 538 HD1 TYR 67 HD1 TYR 67 111.566 -14.531 0.272 539 HD2 TYR 67 HD2 TYR 67 109.467 -15.583 3.822 540 HE1 TYR 67 HE1 TYR 67 109.499 -14.395 -0.939 541 HE2 TYR 67 HE2 TYR 67 107.349 -15.499 2.613 542 HH TYR 67 HH TYR 67 106.988 -15.541 -0.594 543 H GLU 68 HN GLU 68 111.362 -14.350 5.566 544 HA GLU 68 HA GLU 68 108.981 -12.884 5.275 545 1HB GLU 68 HB2 GLU 68 110.115 -14.272 7.692 546 2HB GLU 68 HB1 GLU 68 108.512 -13.556 7.631 547 1HG GLU 68 HG2 GLU 68 107.966 -15.064 5.738 548 2HG GLU 68 HG1 GLU 68 109.531 -15.843 5.950 549 H LYS 69 HN LYS 69 111.998 -11.949 6.672 550 HA LYS 69 HA LYS 69 110.772 -9.704 8.028 551 1HB LYS 69 HB2 LYS 69 112.616 -10.737 9.162 552 2HB LYS 69 HB1 LYS 69 113.650 -10.575 7.751 553 1HG LYS 69 HG2 LYS 69 113.662 -8.177 7.999 554 2HG LYS 69 HG1 LYS 69 112.565 -8.278 9.381 555 1HD LYS 69 HD2 LYS 69 115.322 -9.504 9.245 556 2HD LYS 69 HD1 LYS 69 114.956 -7.949 9.989 557 1HE LYS 69 HE2 LYS 69 113.473 -9.056 11.578 558 2HE LYS 69 HE1 LYS 69 113.813 -10.613 10.820 559 1HZ LYS 69 HZ1 LYS 69 115.842 -8.877 12.136 560 2HZ LYS 69 HZ2 LYS 69 116.113 -10.364 11.401 561 3HZ LYS 69 HZ3 LYS 69 115.171 -10.290 12.800 562 H PHE 70 HN PHE 70 112.071 -10.310 4.892 563 HA PHE 70 HA PHE 70 112.396 -7.421 4.478 564 1HB PHE 70 HB2 PHE 70 114.294 -9.592 3.596 565 2HB PHE 70 HB1 PHE 70 114.339 -7.951 2.987 566 HD1 PHE 70 HD1 PHE 70 115.423 -10.206 5.529 567 HD2 PHE 70 HD2 PHE 70 114.821 -6.089 4.663 568 HE1 PHE 70 HE1 PHE 70 116.980 -9.608 7.333 569 HE2 PHE 70 HE2 PHE 70 116.372 -5.480 6.472 570 HZ PHE 70 HZ PHE 70 117.459 -7.239 7.805 571 H ILE 71 HN ILE 71 112.471 -10.468 2.721 572 HA ILE 71 HA ILE 71 111.717 -9.318 0.275 573 HB ILE 71 HB ILE 71 111.702 -12.237 1.107 574 1HG1 ILE 71 HG12 ILE 71 113.870 -11.246 1.418 575 2HG1 ILE 71 HG11 ILE 71 113.918 -12.320 0.026 576 1HG2 ILE 71 HG21 ILE 71 112.215 -12.531 -1.395 577 2HG2 ILE 71 HG22 ILE 71 111.343 -11.015 -1.618 578 3HG2 ILE 71 HG23 ILE 71 110.552 -12.446 -0.862 579 1HD1 ILE 71 HD11 ILE 71 113.709 -9.322 -0.057 580 2HD1 ILE 71 HD12 ILE 71 113.760 -10.391 -1.460 581 3HD1 ILE 71 HD13 ILE 71 115.155 -10.278 -0.385 582 H GLN 72 HN GLN 72 109.950 -10.515 2.910 583 HA GLN 72 HA GLN 72 107.412 -11.010 1.645 584 1HB GLN 72 HB2 GLN 72 108.078 -11.898 3.887 585 2HB GLN 72 HB1 GLN 72 108.037 -10.245 4.510 586 1HG GLN 72 HG2 GLN 72 106.031 -11.268 5.184 587 2HG GLN 72 HG1 GLN 72 105.614 -10.195 3.853 588 1HE2 GLN 72 HE21 GLN 72 105.895 -13.425 4.912 589 2HE2 GLN 72 HE22 GLN 72 105.118 -14.178 3.551 590 H THR 73 HN THR 73 105.601 -9.500 1.594 591 HA THR 73 HA THR 73 106.440 -6.727 1.685 592 HB THR 73 HB THR 73 103.862 -8.014 0.758 593 HG1 THR 73 HG1 THR 73 106.262 -7.174 -0.416 594 1HG2 THR 73 HG21 THR 73 103.386 -5.834 -0.283 595 2HG2 THR 73 HG22 THR 73 104.856 -5.170 0.458 596 3HG2 THR 73 HG23 THR 73 103.519 -5.726 1.474 597 H ASP 74 HN ASP 74 104.124 -8.867 3.112 598 HA ASP 74 HA ASP 74 103.199 -7.020 5.132 599 1HB ASP 74 HB2 ASP 74 101.892 -8.973 4.173 600 2HB ASP 74 HB1 ASP 74 102.961 -10.048 5.055 601 H ALA 75 HN ALA 75 106.040 -7.422 4.921 602 HA ALA 75 HA ALA 75 107.070 -9.046 7.067 603 1HB ALA 75 HB1 ALA 75 108.360 -8.729 5.028 604 2HB ALA 75 HB2 ALA 75 109.210 -8.015 6.411 605 3HB ALA 75 HB3 ALA 75 108.362 -6.983 5.281 606 HA PRO 76 HA PRO 76 107.198 -5.950 10.304 607 1HB PRO 76 HB2 PRO 76 109.815 -6.133 11.159 608 2HB PRO 76 HB1 PRO 76 108.525 -7.235 11.651 609 1HG PRO 76 HG2 PRO 76 110.608 -7.571 9.533 610 2HG PRO 76 HG1 PRO 76 110.009 -8.752 10.715 611 1HD PRO 76 HD2 PRO 76 109.195 -8.803 8.178 612 2HD PRO 76 HD1 PRO 76 108.073 -9.162 9.507 613 H LYS 77 HN LYS 77 109.423 -5.795 7.665 614 HA LYS 77 HA LYS 77 109.364 -2.902 7.823 615 1HB LYS 77 HB2 LYS 77 111.800 -2.599 7.499 616 2HB LYS 77 HB1 LYS 77 111.397 -3.289 9.063 617 1HG LYS 77 HG2 LYS 77 112.166 -5.424 8.425 618 2HG LYS 77 HG1 LYS 77 112.247 -4.962 6.728 619 1HD LYS 77 HD2 LYS 77 113.948 -3.674 8.859 620 2HD LYS 77 HD1 LYS 77 114.454 -5.109 7.977 621 1HE LYS 77 HE2 LYS 77 115.464 -3.288 6.852 622 2HE LYS 77 HE1 LYS 77 114.111 -3.770 5.846 623 1HZ LYS 77 HZ1 LYS 77 114.264 -1.407 5.975 624 2HZ LYS 77 HZ2 LYS 77 114.268 -1.399 7.637 625 3HZ LYS 77 HZ3 LYS 77 112.854 -1.807 6.797 626 H GLU 78 HN GLU 78 110.394 -5.748 6.052 627 HA GLU 78 HA GLU 78 110.409 -6.376 3.980 628 1HB GLU 78 HB2 GLU 78 108.760 -5.736 2.428 629 2HB GLU 78 HB1 GLU 78 108.019 -5.461 3.986 630 1HG GLU 78 HG2 GLU 78 108.420 -3.061 3.748 631 2HG GLU 78 HG1 GLU 78 109.202 -3.350 2.195 632 H VAL 79 HN VAL 79 110.751 -5.523 1.578 633 HA VAL 79 HA VAL 79 112.853 -3.459 1.572 634 HB VAL 79 HB VAL 79 112.876 -6.031 -0.057 635 1HG1 VAL 79 HG11 VAL 79 114.032 -4.222 -1.148 636 2HG1 VAL 79 HG12 VAL 79 115.155 -5.471 -0.591 637 3HG1 VAL 79 HG13 VAL 79 115.014 -3.954 0.304 638 1HG2 VAL 79 HG21 VAL 79 114.553 -5.386 2.358 639 2HG2 VAL 79 HG22 VAL 79 114.709 -6.814 1.322 640 3HG2 VAL 79 HG23 VAL 79 113.248 -6.569 2.252 641 H ASN 80 HN ASN 80 112.749 -2.124 -0.241 642 HA ASN 80 HA ASN 80 110.334 -2.226 -1.872 643 1HB ASN 80 HB2 ASN 80 112.645 -0.263 -1.786 644 2HB ASN 80 HB1 ASN 80 111.239 -0.078 -2.824 645 1HD2 ASN 80 HD21 ASN 80 112.440 0.048 0.417 646 2HD2 ASN 80 HD22 ASN 80 111.075 0.837 1.110 647 H LEU 81 HN LEU 81 111.929 -4.300 -2.201 648 HA LEU 81 HA LEU 81 113.911 -4.290 -4.217 649 1HB LEU 81 HB2 LEU 81 113.810 -5.899 -2.546 650 2HB LEU 81 HB1 LEU 81 112.199 -6.470 -3.008 651 HG LEU 81 HG LEU 81 113.514 -7.151 -5.202 652 1HD1 LEU 81 HD11 LEU 81 115.501 -5.921 -4.704 653 2HD1 LEU 81 HD12 LEU 81 115.841 -7.661 -4.714 654 3HD1 LEU 81 HD13 LEU 81 115.693 -6.801 -3.189 655 1HD2 LEU 81 HD21 LEU 81 113.960 -8.570 -2.569 656 2HD2 LEU 81 HD22 LEU 81 114.075 -9.287 -4.171 657 3HD2 LEU 81 HD23 LEU 81 112.520 -8.741 -3.562 658 H ASP 82 HN ASP 82 113.772 -4.750 -6.315 659 HA ASP 82 HA ASP 82 111.748 -4.274 -8.049 660 1HB ASP 82 HB2 ASP 82 113.938 -4.704 -8.879 661 2HB ASP 82 HB1 ASP 82 113.944 -6.332 -8.216 662 H PHE 83 HN PHE 83 109.868 -5.140 -8.583 663 HA PHE 83 HA PHE 83 108.693 -7.071 -6.974 664 1HB PHE 83 HB2 PHE 83 106.712 -6.892 -8.338 665 2HB PHE 83 HB1 PHE 83 107.418 -5.300 -8.148 666 HD1 PHE 83 HD1 PHE 83 108.517 -4.206 -10.088 667 HD2 PHE 83 HD2 PHE 83 106.496 -7.933 -10.463 668 HE1 PHE 83 HE1 PHE 83 108.420 -3.913 -12.529 669 HE2 PHE 83 HE2 PHE 83 106.404 -7.647 -12.900 670 HZ PHE 83 HZ PHE 83 107.366 -5.634 -13.938 671 H HIS 84 HN HIS 84 110.347 -7.481 -10.024 672 HA HIS 84 HA HIS 84 109.282 -10.114 -10.413 673 1HB HIS 84 HB2 HIS 84 110.012 -8.816 -12.377 674 2HB HIS 84 HB1 HIS 84 111.657 -8.773 -11.751 675 HD1 HIS 84 HD1 HIS 84 109.130 -11.180 -13.157 676 HD2 HIS 84 HD2 HIS 84 113.195 -10.998 -12.344 677 HE1 HIS 84 HE1 HIS 84 110.116 -13.312 -14.084 678 HE2 HIS 84 HE2 HIS 84 112.507 -13.269 -13.338 679 H THR 85 HN THR 85 112.178 -8.716 -9.095 680 HA THR 85 HA THR 85 113.601 -11.077 -8.672 681 HB THR 85 HB THR 85 113.670 -8.503 -7.093 682 HG1 THR 85 HG1 THR 85 114.041 -8.217 -9.325 683 1HG2 THR 85 HG21 THR 85 116.012 -9.192 -6.590 684 2HG2 THR 85 HG22 THR 85 115.707 -10.752 -7.347 685 3HG2 THR 85 HG23 THR 85 114.849 -10.286 -5.880 686 H LYS 86 HN LYS 86 111.465 -9.254 -6.448 687 HA LYS 86 HA LYS 86 111.667 -11.165 -4.390 688 1HB LYS 86 HB2 LYS 86 109.726 -10.128 -3.310 689 2HB LYS 86 HB1 LYS 86 110.801 -8.888 -3.925 690 1HG LYS 86 HG2 LYS 86 109.308 -8.457 -5.772 691 2HG LYS 86 HG1 LYS 86 108.276 -9.801 -5.288 692 1HD LYS 86 HD2 LYS 86 107.246 -7.760 -4.544 693 2HD LYS 86 HD1 LYS 86 107.851 -8.614 -3.129 694 1HE LYS 86 HE2 LYS 86 109.802 -7.139 -3.071 695 2HE LYS 86 HE1 LYS 86 109.229 -6.309 -4.515 696 1HZ LYS 86 HZ1 LYS 86 108.550 -4.958 -2.735 697 2HZ LYS 86 HZ2 LYS 86 108.065 -6.239 -1.779 698 3HZ LYS 86 HZ3 LYS 86 107.147 -5.814 -3.122 699 H GLU 87 HN GLU 87 109.497 -10.922 -7.123 700 HA GLU 87 HA GLU 87 107.710 -12.981 -6.567 701 1HB GLU 87 HB2 GLU 87 107.415 -11.476 -8.451 702 2HB GLU 87 HB1 GLU 87 108.889 -12.069 -9.197 703 1HG GLU 87 HG2 GLU 87 107.068 -13.047 -10.357 704 2HG GLU 87 HG1 GLU 87 107.837 -14.278 -9.344 705 H VAL 88 HN VAL 88 110.773 -13.134 -8.381 706 HA VAL 88 HA VAL 88 110.781 -15.901 -8.744 707 HB VAL 88 HB VAL 88 113.141 -13.985 -8.634 708 1HG1 VAL 88 HG11 VAL 88 113.902 -16.294 -8.231 709 2HG1 VAL 88 HG12 VAL 88 114.420 -15.714 -9.813 710 3HG1 VAL 88 HG13 VAL 88 113.053 -16.823 -9.686 711 1HG2 VAL 88 HG21 VAL 88 113.015 -14.112 -11.078 712 2HG2 VAL 88 HG22 VAL 88 111.508 -13.514 -10.386 713 3HG2 VAL 88 HG23 VAL 88 111.614 -15.174 -10.949 714 H ILE 89 HN ILE 89 112.061 -13.948 -6.103 715 HA ILE 89 HA ILE 89 113.222 -16.059 -4.652 716 HB ILE 89 HB ILE 89 111.947 -13.563 -3.495 717 1HG1 ILE 89 HG12 ILE 89 114.831 -14.096 -4.227 718 2HG1 ILE 89 HG11 ILE 89 113.720 -13.092 -5.151 719 1HG2 ILE 89 HG21 ILE 89 112.259 -15.208 -1.732 720 2HG2 ILE 89 HG22 ILE 89 113.493 -13.973 -1.565 721 3HG2 ILE 89 HG23 ILE 89 113.905 -15.530 -2.281 722 1HD1 ILE 89 HD11 ILE 89 114.839 -12.590 -2.419 723 2HD1 ILE 89 HD12 ILE 89 113.447 -11.750 -3.036 724 3HD1 ILE 89 HD13 ILE 89 115.004 -11.589 -3.879 725 H THR 90 HN THR 90 109.904 -14.734 -4.548 726 HA THR 90 HA THR 90 109.048 -16.435 -2.489 727 HB THR 90 HB THR 90 106.727 -15.912 -3.120 728 HG1 THR 90 HG1 THR 90 107.887 -15.249 -5.609 729 1HG2 THR 90 HG21 THR 90 108.002 -14.152 -1.951 730 2HG2 THR 90 HG22 THR 90 106.801 -13.482 -3.067 731 3HG2 THR 90 HG23 THR 90 108.498 -13.521 -3.526 732 H ASN 91 HN ASN 91 109.585 -17.082 -5.803 733 HA ASN 91 HA ASN 91 108.045 -19.545 -5.783 734 1HB ASN 91 HB2 ASN 91 109.742 -18.289 -7.955 735 2HB ASN 91 HB1 ASN 91 108.771 -19.743 -8.146 736 1HD2 ASN 91 HD21 ASN 91 108.663 -17.117 -9.482 737 2HD2 ASN 91 HD22 ASN 91 107.063 -16.524 -9.241 738 H SER 92 HN SER 92 111.250 -18.545 -5.087 739 HA SER 92 HA SER 92 112.198 -21.311 -5.400 740 1HB SER 92 HB2 SER 92 114.495 -20.298 -5.678 741 2HB SER 92 HB1 SER 92 113.361 -19.967 -6.986 742 HG SER 92 HG SER 92 113.054 -17.934 -6.219 743 H ILE 93 HN ILE 93 111.318 -19.176 -3.095 744 HA ILE 93 HA ILE 93 113.432 -19.533 -1.183 745 HB ILE 93 HB ILE 93 111.931 -17.513 -1.250 746 1HG1 ILE 93 HG12 ILE 93 111.571 -17.355 1.234 747 2HG1 ILE 93 HG11 ILE 93 112.036 -19.049 1.352 748 1HG2 ILE 93 HG21 ILE 93 109.697 -17.549 -0.386 749 2HG2 ILE 93 HG22 ILE 93 109.839 -19.273 -0.007 750 3HG2 ILE 93 HG23 ILE 93 109.833 -18.754 -1.684 751 1HD1 ILE 93 HD11 ILE 93 114.233 -18.472 0.371 752 2HD1 ILE 93 HD12 ILE 93 113.912 -17.643 1.890 753 3HD1 ILE 93 HD13 ILE 93 113.741 -16.774 0.368 754 H THR 94 HN THR 94 110.631 -21.150 -2.099 755 HA THR 94 HA THR 94 110.077 -22.748 0.123 756 HB THR 94 HB THR 94 108.514 -22.616 -1.729 757 HG1 THR 94 HG1 THR 94 108.265 -24.934 -2.186 758 1HG2 THR 94 HG21 THR 94 108.964 -23.680 -3.910 759 2HG2 THR 94 HG22 THR 94 110.611 -24.035 -3.382 760 3HG2 THR 94 HG23 THR 94 110.088 -22.362 -3.571 761 H GLN 95 HN GLN 95 112.588 -22.992 -2.308 762 HA GLN 95 HA GLN 95 113.805 -25.205 -0.857 763 1HB GLN 95 HB2 GLN 95 113.558 -24.987 -3.870 764 2HB GLN 95 HB1 GLN 95 114.571 -26.145 -3.034 765 1HG GLN 95 HG2 GLN 95 112.633 -27.241 -2.120 766 2HG GLN 95 HG1 GLN 95 111.575 -26.009 -2.811 767 1HE2 GLN 95 HE21 GLN 95 111.612 -28.912 -3.279 768 2HE2 GLN 95 HE22 GLN 95 111.869 -29.084 -4.981 769 HA PRO 96 HA PRO 96 116.424 -21.474 -1.610 770 1HB PRO 96 HB2 PRO 96 117.444 -21.257 0.860 771 2HB PRO 96 HB1 PRO 96 115.834 -20.653 0.452 772 1HG PRO 96 HG2 PRO 96 116.607 -23.224 1.772 773 2HG PRO 96 HG1 PRO 96 115.330 -22.077 2.224 774 1HD PRO 96 HD2 PRO 96 114.787 -24.334 0.806 775 2HD PRO 96 HD1 PRO 96 113.894 -22.822 0.588 776 H THR 97 HN THR 97 118.646 -21.158 -1.554 777 HA THR 97 HA THR 97 120.427 -23.335 -0.931 778 HB THR 97 HB THR 97 121.595 -22.691 -3.185 779 HG1 THR 97 HG1 THR 97 119.013 -22.309 -4.185 780 1HG2 THR 97 HG21 THR 97 120.371 -24.454 -4.411 781 2HG2 THR 97 HG22 THR 97 119.100 -24.402 -3.186 782 3HG2 THR 97 HG23 THR 97 120.727 -24.927 -2.749 783 H LEU 98 HN LEU 98 122.764 -22.118 -1.726 784 HA LEU 98 HA LEU 98 123.075 -20.219 0.331 785 1HB LEU 98 HB2 LEU 98 124.942 -20.898 -1.939 786 2HB LEU 98 HB1 LEU 98 125.359 -19.810 -0.642 787 HG LEU 98 HG LEU 98 126.407 -21.875 -0.208 788 1HD1 LEU 98 HD11 LEU 98 124.017 -21.652 1.571 789 2HD1 LEU 98 HD12 LEU 98 125.568 -20.832 1.765 790 3HD1 LEU 98 HD13 LEU 98 125.464 -22.587 1.918 791 1HD2 LEU 98 HD21 LEU 98 125.103 -23.344 -1.618 792 2HD2 LEU 98 HD22 LEU 98 123.730 -23.216 -0.518 793 3HD2 LEU 98 HD23 LEU 98 125.213 -24.007 0.013 794 H HIS 99 HN HIS 99 122.012 -19.711 -2.859 795 HA HIS 99 HA HIS 99 122.326 -16.837 -2.418 796 1HB HIS 99 HB2 HIS 99 123.095 -18.314 -4.919 797 2HB HIS 99 HB1 HIS 99 122.610 -16.624 -4.996 798 HD1 HIS 99 HD1 HIS 99 124.420 -14.942 -4.556 799 HD2 HIS 99 HD2 HIS 99 125.455 -18.742 -3.276 800 HE1 HIS 99 HE1 HIS 99 126.691 -14.709 -3.518 801 HE2 HIS 99 HE2 HIS 99 127.421 -17.097 -3.345 802 H SER 100 HN SER 100 120.006 -18.079 -1.751 803 HA SER 100 HA SER 100 118.080 -17.902 -3.813 804 1HB SER 100 HB2 SER 100 117.740 -17.898 -0.805 805 2HB SER 100 HB1 SER 100 116.439 -18.098 -1.979 806 HG SER 100 HG SER 100 117.416 -19.891 -2.756 807 H PHE 101 HN PHE 101 119.735 -15.468 -2.350 808 HA PHE 101 HA PHE 101 117.624 -13.486 -2.958 809 1HB PHE 101 HB2 PHE 101 119.813 -13.218 -0.876 810 2HB PHE 101 HB1 PHE 101 118.529 -12.064 -1.202 811 HD1 PHE 101 HD1 PHE 101 119.518 -15.014 0.583 812 HD2 PHE 101 HD2 PHE 101 116.168 -12.688 -0.623 813 HE1 PHE 101 HE1 PHE 101 118.143 -16.111 2.294 814 HE2 PHE 101 HE2 PHE 101 114.793 -13.787 1.098 815 HZ PHE 101 HZ PHE 101 115.782 -15.497 2.546 816 H ASP 102 HN ASP 102 119.795 -14.734 -4.540 817 HA ASP 102 HA ASP 102 122.119 -13.123 -4.608 818 1HB ASP 102 HB2 ASP 102 122.027 -15.429 -5.485 819 2HB ASP 102 HB1 ASP 102 121.058 -14.844 -6.837 820 H ALA 103 HN ALA 103 119.227 -13.126 -6.594 821 HA ALA 103 HA ALA 103 120.145 -11.056 -8.342 822 1HB ALA 103 HB1 ALA 103 117.868 -11.005 -9.182 823 2HB ALA 103 HB2 ALA 103 117.308 -11.936 -7.799 824 3HB ALA 103 HB3 ALA 103 118.388 -12.680 -8.984 825 H ALA 104 HN ALA 104 118.541 -11.195 -5.319 826 HA ALA 104 HA ALA 104 117.449 -8.582 -5.454 827 1HB ALA 104 HB1 ALA 104 116.786 -8.948 -3.140 828 2HB ALA 104 HB2 ALA 104 117.684 -10.489 -3.127 829 3HB ALA 104 HB3 ALA 104 116.321 -10.228 -4.249 830 H GLN 105 HN GLN 105 120.441 -9.912 -4.330 831 HA GLN 105 HA GLN 105 121.425 -7.849 -2.701 832 1HB GLN 105 HB2 GLN 105 123.044 -9.262 -4.819 833 2HB GLN 105 HB1 GLN 105 123.653 -8.493 -3.371 834 1HG GLN 105 HG2 GLN 105 122.615 -10.226 -2.016 835 2HG GLN 105 HG1 GLN 105 121.976 -10.988 -3.480 836 1HE2 GLN 105 HE21 GLN 105 123.461 -11.800 -5.004 837 2HE2 GLN 105 HE22 GLN 105 125.055 -12.280 -4.557 838 H SER 106 HN SER 106 121.511 -8.253 -6.210 839 HA SER 106 HA SER 106 122.876 -5.868 -6.825 840 1HB SER 106 HB2 SER 106 121.044 -7.493 -8.587 841 2HB SER 106 HB1 SER 106 122.413 -6.491 -9.084 842 HG SER 106 HG SER 106 123.585 -8.002 -7.521 843 H ARG 107 HN ARG 107 119.498 -6.772 -6.547 844 HA ARG 107 HA ARG 107 118.416 -4.418 -7.730 845 1HB ARG 107 HB2 ARG 107 117.147 -6.436 -5.901 846 2HB ARG 107 HB1 ARG 107 116.284 -5.153 -6.739 847 1HG ARG 107 HG2 ARG 107 117.804 -7.409 -8.023 848 2HG ARG 107 HG1 ARG 107 116.046 -7.234 -7.881 849 1HD ARG 107 HD2 ARG 107 116.025 -5.342 -9.304 850 2HD ARG 107 HD1 ARG 107 117.775 -5.189 -9.244 851 HE ARG 107 HE ARG 107 116.930 -7.680 -10.350 852 1HH1 ARG 107 HH11 ARG 107 117.307 -4.250 -11.114 853 2HH1 ARG 107 HH12 ARG 107 117.741 -4.473 -12.732 854 1HH2 ARG 107 HH21 ARG 107 117.519 -8.038 -12.619 855 2HH2 ARG 107 HH22 ARG 107 117.840 -6.686 -13.621 856 H VAL 108 HN VAL 108 119.173 -5.254 -4.432 857 HA VAL 108 HA VAL 108 118.097 -2.792 -3.468 858 HB VAL 108 HB VAL 108 119.882 -4.854 -2.149 859 1HG1 VAL 108 HG11 VAL 108 118.430 -2.504 -0.954 860 2HG1 VAL 108 HG12 VAL 108 120.188 -2.651 -1.108 861 3HG1 VAL 108 HG13 VAL 108 119.293 -3.754 -0.052 862 1HG2 VAL 108 HG21 VAL 108 117.811 -5.463 -1.004 863 2HG2 VAL 108 HG22 VAL 108 117.676 -5.608 -2.764 864 3HG2 VAL 108 HG23 VAL 108 116.957 -4.228 -1.940 865 H TYR 109 HN TYR 109 121.227 -3.960 -4.421 866 HA TYR 109 HA TYR 109 122.771 -1.781 -3.672 867 1HB TYR 109 HB2 TYR 109 124.180 -3.379 -4.299 868 2HB TYR 109 HB1 TYR 109 123.061 -4.145 -5.381 869 HD1 TYR 109 HD1 TYR 109 122.949 -3.164 -7.783 870 HD2 TYR 109 HD2 TYR 109 126.002 -2.152 -5.016 871 HE1 TYR 109 HE1 TYR 109 124.356 -2.413 -9.636 872 HE2 TYR 109 HE2 TYR 109 127.423 -1.386 -6.834 873 HH TYR 109 HH TYR 109 126.178 -0.913 -9.995 874 H GLN 110 HN GLN 110 120.906 -2.296 -6.660 875 HA GLN 110 HA GLN 110 121.682 0.217 -7.685 876 1HB GLN 110 HB2 GLN 110 119.827 -0.055 -9.351 877 2HB GLN 110 HB1 GLN 110 121.007 -1.350 -9.320 878 1HG GLN 110 HG2 GLN 110 119.484 -2.753 -8.115 879 2HG GLN 110 HG1 GLN 110 118.288 -1.474 -8.016 880 1HE2 GLN 110 HE21 GLN 110 120.265 -2.081 -10.858 881 2HE2 GLN 110 HE22 GLN 110 119.004 -2.653 -11.865 882 H LEU 111 HN LEU 111 119.024 -0.749 -5.613 883 HA LEU 111 HA LEU 111 117.474 1.594 -5.716 884 1HB LEU 111 HB2 LEU 111 118.076 -0.153 -3.317 885 2HB LEU 111 HB1 LEU 111 116.826 1.066 -3.370 886 HG LEU 111 HG LEU 111 116.889 -1.434 -5.055 887 1HD1 LEU 111 HD11 LEU 111 116.577 -1.915 -2.684 888 2HD1 LEU 111 HD12 LEU 111 115.095 -2.209 -3.596 889 3HD1 LEU 111 HD13 LEU 111 115.253 -0.751 -2.616 890 1HD2 LEU 111 HD21 LEU 111 114.580 -0.837 -5.605 891 2HD2 LEU 111 HD22 LEU 111 115.700 0.423 -6.127 892 3HD2 LEU 111 HD23 LEU 111 114.735 0.649 -4.667 893 H MET 112 HN MET 112 120.283 0.749 -3.803 894 HA MET 112 HA MET 112 120.436 3.186 -2.375 895 1HB MET 112 HB2 MET 112 122.415 0.990 -2.842 896 2HB MET 112 HB1 MET 112 122.855 2.451 -1.975 897 1HG MET 112 HG2 MET 112 121.146 2.008 -0.324 898 2HG MET 112 HG1 MET 112 120.642 0.571 -1.215 899 1HE MET 112 HE1 MET 112 121.916 -1.658 -1.248 900 2HE MET 112 HE2 MET 112 123.614 -1.828 -0.775 901 3HE MET 112 HE3 MET 112 123.176 -0.804 -2.145 902 H GLU 113 HN GLU 113 121.975 2.085 -5.345 903 HA GLU 113 HA GLU 113 123.809 4.161 -5.621 904 1HB GLU 113 HB2 GLU 113 123.788 2.118 -7.037 905 2HB GLU 113 HB1 GLU 113 122.350 2.743 -7.843 906 1HG GLU 113 HG2 GLU 113 123.626 4.670 -8.643 907 2HG GLU 113 HG1 GLU 113 125.068 4.049 -7.849 908 H GLN 114 HN GLN 114 120.613 3.926 -7.128 909 HA GLN 114 HA GLN 114 120.729 6.466 -8.329 910 1HB GLN 114 HB2 GLN 114 118.321 6.112 -8.811 911 2HB GLN 114 HB1 GLN 114 119.370 4.792 -9.307 912 1HG GLN 114 HG2 GLN 114 118.765 3.630 -7.203 913 2HG GLN 114 HG1 GLN 114 117.548 4.879 -6.915 914 1HE2 GLN 114 HE21 GLN 114 118.484 2.196 -8.817 915 2HE2 GLN 114 HE22 GLN 114 116.990 1.925 -9.645 916 H ASP 115 HN ASP 115 120.054 5.777 -5.074 917 HA ASP 115 HA ASP 115 118.814 8.454 -4.844 918 1HB ASP 115 HB2 ASP 115 117.212 6.744 -4.117 919 2HB ASP 115 HB1 ASP 115 118.383 6.113 -2.965 920 H SER 116 HN SER 116 120.674 6.162 -2.877 921 HA SER 116 HA SER 116 121.590 8.251 -1.191 922 1HB SER 116 HB2 SER 116 122.370 5.352 -1.308 923 2HB SER 116 HB1 SER 116 122.639 6.464 0.038 924 HG SER 116 HG SER 116 120.557 6.497 0.476 925 H TYR 117 HN TYR 117 123.000 6.456 -3.951 926 HA TYR 117 HA TYR 117 125.680 6.978 -3.186 927 1HB TYR 117 HB2 TYR 117 125.352 5.137 -4.603 928 2HB TYR 117 HB1 TYR 117 124.475 6.123 -5.796 929 HD1 TYR 117 HD1 TYR 117 127.891 6.068 -4.195 930 HD2 TYR 117 HD2 TYR 117 125.581 6.517 -7.737 931 HE1 TYR 117 HE1 TYR 117 129.958 6.331 -5.515 932 HE2 TYR 117 HE2 TYR 117 127.634 6.779 -9.052 933 HH TYR 117 HH TYR 117 130.760 6.228 -7.670 934 H THR 118 HN THR 118 123.508 8.664 -5.347 935 HA THR 118 HA THR 118 125.353 10.522 -6.369 936 HB THR 118 HB THR 118 123.218 11.879 -6.776 937 HG1 THR 118 HG1 THR 118 121.415 11.157 -5.900 938 1HG2 THR 118 HG21 THR 118 123.222 8.978 -7.640 939 2HG2 THR 118 HG22 THR 118 124.110 10.279 -8.435 940 3HG2 THR 118 HG23 THR 118 122.347 10.289 -8.428 941 H ARG 119 HN ARG 119 123.109 10.683 -3.674 942 HA ARG 119 HA ARG 119 123.881 13.252 -2.777 943 1HB ARG 119 HB2 ARG 119 122.534 11.025 -1.264 944 2HB ARG 119 HB1 ARG 119 122.678 12.684 -0.714 945 1HG ARG 119 HG2 ARG 119 121.338 13.416 -2.634 946 2HG ARG 119 HG1 ARG 119 121.160 11.727 -3.125 947 1HD ARG 119 HD2 ARG 119 119.221 12.466 -1.864 948 2HD ARG 119 HD1 ARG 119 120.106 11.220 -0.983 949 HE ARG 119 HE ARG 119 120.643 14.030 -0.387 950 1HH1 ARG 119 HH11 ARG 119 119.454 10.863 0.710 951 2HH1 ARG 119 HH12 ARG 119 119.104 11.403 2.289 952 1HH2 ARG 119 HH21 ARG 119 120.241 14.710 1.836 953 2HH2 ARG 119 HH22 ARG 119 119.572 13.608 2.955 954 H PHE 120 HN PHE 120 124.988 10.004 -2.039 955 HA PHE 120 HA PHE 120 126.692 10.660 0.056 956 1HB PHE 120 HB2 PHE 120 126.252 8.343 -0.320 957 2HB PHE 120 HB1 PHE 120 126.791 8.434 -1.989 958 HD1 PHE 120 HD1 PHE 120 128.006 8.637 1.527 959 HD2 PHE 120 HD2 PHE 120 128.983 7.933 -2.554 960 HE1 PHE 120 HE1 PHE 120 130.277 7.873 2.185 961 HE2 PHE 120 HE2 PHE 120 131.220 7.181 -1.895 962 HZ PHE 120 HZ PHE 120 131.859 7.156 0.476 963 H LEU 121 HN LEU 121 127.142 10.751 -3.435 964 HA LEU 121 HA LEU 121 129.867 11.380 -3.393 965 1HB LEU 121 HB2 LEU 121 127.763 12.029 -5.437 966 2HB LEU 121 HB1 LEU 121 129.479 12.327 -5.674 967 HG LEU 121 HG LEU 121 128.246 9.621 -5.187 968 1HD1 LEU 121 HD11 LEU 121 128.801 9.198 -7.516 969 2HD1 LEU 121 HD12 LEU 121 129.349 10.864 -7.695 970 3HD1 LEU 121 HD13 LEU 121 127.650 10.522 -7.363 971 1HD2 LEU 121 HD21 LEU 121 130.554 9.935 -4.328 972 2HD2 LEU 121 HD22 LEU 121 131.063 10.377 -5.951 973 3HD2 LEU 121 HD23 LEU 121 130.448 8.750 -5.633 974 H LYS 122 HN LYS 122 127.080 13.369 -2.919 975 HA LYS 122 HA LYS 122 128.944 15.573 -2.523 976 1HB LYS 122 HB2 LYS 122 126.032 15.585 -3.097 977 2HB LYS 122 HB1 LYS 122 126.760 16.965 -2.278 978 1HG LYS 122 HG2 LYS 122 127.608 15.841 -4.934 979 2HG LYS 122 HG1 LYS 122 126.691 17.331 -4.668 980 1HD LYS 122 HD2 LYS 122 128.561 18.225 -3.338 981 2HD LYS 122 HD1 LYS 122 129.476 16.756 -3.666 982 1HE LYS 122 HE2 LYS 122 129.433 17.231 -6.012 983 2HE LYS 122 HE1 LYS 122 128.473 18.699 -5.727 984 1HZ LYS 122 HZ1 LYS 122 131.283 18.136 -4.973 985 2HZ LYS 122 HZ2 LYS 122 130.414 19.416 -4.298 986 3HZ LYS 122 HZ3 LYS 122 130.713 19.387 -5.956 987 H SER 123 HN SER 123 127.929 13.277 -0.610 988 HA SER 123 HA SER 123 127.143 14.763 1.684 989 1HB SER 123 HB2 SER 123 127.545 12.744 2.972 990 2HB SER 123 HB1 SER 123 126.752 12.295 1.464 991 HG SER 123 HG SER 123 128.835 11.738 0.643 992 H ASP 124 HN ASP 124 128.370 15.478 3.366 993 HA ASP 124 HA ASP 124 130.949 16.367 2.689 994 1HB ASP 124 HB2 ASP 124 131.072 17.437 4.784 995 2HB ASP 124 HB1 ASP 124 129.362 17.457 4.375 996 H ILE 125 HN ILE 125 129.895 13.392 4.149 997 HA ILE 125 HA ILE 125 132.427 12.805 5.305 998 HB ILE 125 HB ILE 125 130.201 11.621 5.955 999 1HG1 ILE 125 HG12 ILE 125 132.472 10.861 6.753 1000 2HG1 ILE 125 HG11 ILE 125 131.225 9.628 6.754 1001 1HG2 ILE 125 HG21 ILE 125 130.814 9.794 3.633 1002 2HG2 ILE 125 HG22 ILE 125 129.455 10.930 3.711 1003 3HG2 ILE 125 HG23 ILE 125 129.570 9.586 4.859 1004 1HD1 ILE 125 HD11 ILE 125 133.422 9.928 4.710 1005 2HD1 ILE 125 HD12 ILE 125 132.180 8.674 4.707 1006 3HD1 ILE 125 HD13 ILE 125 133.362 8.740 6.014 1007 H TYR 126 HN TYR 126 130.969 12.077 2.151 1008 HA TYR 126 HA TYR 126 133.331 10.731 1.269 1009 1HB TYR 126 HB2 TYR 126 131.241 10.112 0.205 1010 2HB TYR 126 HB1 TYR 126 130.975 11.771 -0.323 1011 HD1 TYR 126 HD1 TYR 126 131.604 12.373 -2.483 1012 HD2 TYR 126 HD2 TYR 126 133.459 8.992 -0.688 1013 HE1 TYR 126 HE1 TYR 126 132.833 11.978 -4.535 1014 HE2 TYR 126 HE2 TYR 126 134.694 8.563 -2.758 1015 HH TYR 126 HH TYR 126 135.058 10.847 -5.088 1016 H LEU 127 HN LEU 127 132.085 14.008 0.983 1017 HA LEU 127 HA LEU 127 134.156 14.870 -0.718 1018 1HB LEU 127 HB2 LEU 127 132.368 16.468 1.136 1019 2HB LEU 127 HB1 LEU 127 133.527 17.198 0.035 1020 HG LEU 127 HG LEU 127 131.128 15.531 -0.687 1021 1HD1 LEU 127 HD11 LEU 127 130.559 17.747 0.123 1022 2HD1 LEU 127 HD12 LEU 127 130.269 17.612 -1.610 1023 3HD1 LEU 127 HD13 LEU 127 131.694 18.468 -1.019 1024 1HD2 LEU 127 HD21 LEU 127 132.953 15.184 -2.263 1025 2HD2 LEU 127 HD22 LEU 127 133.130 16.929 -2.452 1026 3HD2 LEU 127 HD23 LEU 127 131.656 16.129 -2.994 1027 H ASP 128 HN ASP 128 134.045 14.323 2.676 1028 HA ASP 128 HA ASP 128 136.481 15.668 3.281 1029 1HB ASP 128 HB2 ASP 128 134.969 15.141 5.104 1030 2HB ASP 128 HB1 ASP 128 135.058 13.424 4.732 1031 H LEU 129 HN LEU 129 135.650 12.400 2.232 1032 HA LEU 129 HA LEU 129 138.281 11.306 2.408 1033 1HB LEU 129 HB2 LEU 129 136.363 10.397 0.208 1034 2HB LEU 129 HB1 LEU 129 137.567 9.556 1.075 1035 HG LEU 129 HG LEU 129 135.153 10.455 2.586 1036 1HD1 LEU 129 HD11 LEU 129 134.358 9.198 0.668 1037 2HD1 LEU 129 HD12 LEU 129 134.190 8.263 2.155 1038 3HD1 LEU 129 HD13 LEU 129 135.501 7.906 1.030 1039 1HD2 LEU 129 HD21 LEU 129 137.174 8.246 2.919 1040 2HD2 LEU 129 HD22 LEU 129 135.728 8.444 3.891 1041 3HD2 LEU 129 HD23 LEU 129 136.996 9.686 3.940 1042 H MET 130 HN MET 130 136.586 13.279 0.139 1043 HA MET 130 HA MET 130 138.405 13.081 -2.021 1044 1HB MET 130 HB2 MET 130 136.403 15.254 -1.391 1045 2HB MET 130 HB1 MET 130 137.339 15.177 -2.866 1046 1HG MET 130 HG2 MET 130 135.261 13.161 -1.976 1047 2HG MET 130 HG1 MET 130 135.054 14.411 -3.190 1048 1HE MET 130 HE1 MET 130 137.882 11.786 -2.374 1049 2HE MET 130 HE2 MET 130 137.674 10.633 -3.674 1050 3HE MET 130 HE3 MET 130 136.424 10.788 -2.424 1051 H GLU 131 HN GLU 131 137.856 15.729 0.279 1052 HA GLU 131 HA GLU 131 139.107 17.419 1.038 1053 1HB GLU 131 HB2 GLU 131 140.680 15.717 1.834 1054 2HB GLU 131 HB1 GLU 131 141.433 15.635 0.251 1055 1HG GLU 131 HG2 GLU 131 142.165 17.989 0.533 1056 2HG GLU 131 HG1 GLU 131 141.499 17.958 2.166 1057 H GLY 132 HN GLY 132 140.937 16.256 -1.694 1058 1HA GLY 132 HA2 GLY 132 140.211 17.953 -3.683 1059 2HA GLY 132 HA1 GLY 132 141.429 18.860 -2.781 1060 H ARG 133 HN ARG 133 141.269 15.381 -3.267 1061 HA ARG 133 HA ARG 133 144.038 15.458 -4.275 1062 1HB ARG 133 HB2 ARG 133 142.402 13.201 -3.111 1063 2HB ARG 133 HB1 ARG 133 144.072 13.085 -3.628 1064 1HG ARG 133 HG2 ARG 133 143.214 14.983 -1.469 1065 2HG ARG 133 HG1 ARG 133 143.592 13.297 -1.133 1066 1HD ARG 133 HD2 ARG 133 145.835 13.673 -2.142 1067 2HD ARG 133 HD1 ARG 133 145.429 15.386 -2.298 1068 HE ARG 133 HE ARG 133 145.067 15.312 0.180 1069 1HH1 ARG 133 HH11 ARG 133 147.352 13.035 -1.332 1070 2HH1 ARG 133 HH12 ARG 133 148.384 12.945 0.027 1071 1HH2 ARG 133 HH21 ARG 133 146.518 15.154 2.083 1072 2HH2 ARG 133 HH22 ARG 133 147.863 14.124 1.998 1073 HA PRO 134 HA PRO 134 142.178 13.929 -8.125 1074 1HB PRO 134 HB2 PRO 134 144.707 14.244 -9.423 1075 2HB PRO 134 HB1 PRO 134 143.312 15.323 -9.506 1076 1HG PRO 134 HG2 PRO 134 145.736 15.960 -8.321 1077 2HG PRO 134 HG1 PRO 134 144.195 16.762 -7.973 1078 1HD PRO 134 HD2 PRO 134 145.601 14.602 -6.448 1079 2HD PRO 134 HD1 PRO 134 144.717 16.021 -5.840 Start of MODEL 5 1 1H SER 1 HT1 SER 1 147.562 6.245 7.237 2 2H SER 1 HT2 SER 1 146.553 7.315 6.413 3 3H SER 1 HT3 SER 1 146.715 5.730 5.859 4 HA SER 1 HA SER 1 145.682 4.892 7.821 5 1HB SER 1 HB2 SER 1 145.354 7.824 8.512 6 2HB SER 1 HB1 SER 1 144.713 6.463 9.437 7 HG SER 1 HG SER 1 146.811 5.790 9.866 8 H MET 2 HN MET 2 143.749 4.179 7.264 9 HA MET 2 HA MET 2 141.767 3.900 6.277 10 1HB MET 2 HB2 MET 2 141.649 6.902 6.479 11 2HB MET 2 HB1 MET 2 140.369 5.990 5.697 12 1HG MET 2 HG2 MET 2 140.046 4.730 7.787 13 2HG MET 2 HG1 MET 2 141.270 5.742 8.553 14 1HE MET 2 HE1 MET 2 137.733 5.710 6.794 15 2HE MET 2 HE2 MET 2 138.629 6.929 5.885 16 3HE MET 2 HE3 MET 2 137.278 7.412 6.909 17 H VAL 3 HN VAL 3 140.406 4.812 4.280 18 HA VAL 3 HA VAL 3 141.874 4.171 2.007 19 HB VAL 3 HB VAL 3 139.482 3.812 1.911 20 1HG1 VAL 3 HG11 VAL 3 139.156 6.780 2.367 21 2HG1 VAL 3 HG12 VAL 3 138.796 5.503 3.531 22 3HG1 VAL 3 HG13 VAL 3 137.855 5.633 2.043 23 1HG2 VAL 3 HG21 VAL 3 138.847 4.850 -0.122 24 2HG2 VAL 3 HG22 VAL 3 140.600 4.611 -0.225 25 3HG2 VAL 3 HG23 VAL 3 139.923 6.205 0.135 26 H SER 4 HN SER 4 143.102 5.244 0.724 27 HA SER 4 HA SER 4 144.050 7.831 1.011 28 1HB SER 4 HB2 SER 4 145.234 6.199 -0.321 29 2HB SER 4 HB1 SER 4 143.846 5.972 -1.378 30 HG SER 4 HG SER 4 145.844 7.812 -1.444 31 HA PRO 5 HA PRO 5 140.550 10.275 -0.387 32 1HB PRO 5 HB2 PRO 5 142.601 12.100 -1.509 33 2HB PRO 5 HB1 PRO 5 141.314 12.441 -0.347 34 1HG PRO 5 HG2 PRO 5 143.872 12.295 0.415 35 2HG PRO 5 HG1 PRO 5 142.560 11.705 1.451 36 1HD PRO 5 HD2 PRO 5 144.495 10.174 -0.221 37 2HD PRO 5 HD1 PRO 5 143.808 9.778 1.367 38 H GLU 6 HN GLU 6 143.296 9.676 -2.473 39 HA GLU 6 HA GLU 6 141.907 10.185 -4.912 40 1HB GLU 6 HB2 GLU 6 144.335 10.318 -4.798 41 2HB GLU 6 HB1 GLU 6 144.427 8.613 -4.376 42 1HG GLU 6 HG2 GLU 6 143.466 8.036 -6.549 43 2HG GLU 6 HG1 GLU 6 143.423 9.747 -6.970 44 H GLU 7 HN GLU 7 142.565 7.346 -2.960 45 HA GLU 7 HA GLU 7 141.515 5.425 -4.774 46 1HB GLU 7 HB2 GLU 7 142.980 4.929 -2.772 47 2HB GLU 7 HB1 GLU 7 141.593 5.265 -1.746 48 1HG GLU 7 HG2 GLU 7 141.783 2.925 -1.959 49 2HG GLU 7 HG1 GLU 7 140.398 3.421 -2.931 50 H ALA 8 HN ALA 8 140.217 7.488 -2.307 51 HA ALA 8 HA ALA 8 137.600 6.437 -2.295 52 1HB ALA 8 HB1 ALA 8 137.040 8.468 -0.934 53 2HB ALA 8 HB2 ALA 8 138.636 9.116 -1.326 54 3HB ALA 8 HB3 ALA 8 138.503 7.627 -0.399 55 H VAL 9 HN VAL 9 139.113 9.183 -4.078 56 HA VAL 9 HA VAL 9 136.716 10.036 -5.271 57 HB VAL 9 HB VAL 9 137.893 11.226 -6.955 58 1HG1 VAL 9 HG11 VAL 9 139.608 11.333 -4.511 59 2HG1 VAL 9 HG12 VAL 9 138.084 12.160 -4.759 60 3HG1 VAL 9 HG13 VAL 9 139.486 12.582 -5.759 61 1HG2 VAL 9 HG21 VAL 9 139.402 9.550 -7.815 62 2HG2 VAL 9 HG22 VAL 9 140.378 9.637 -6.348 63 3HG2 VAL 9 HG23 VAL 9 140.299 11.022 -7.438 64 H LYS 10 HN LYS 10 138.759 7.401 -6.018 65 HA LYS 10 HA LYS 10 137.876 6.730 -8.601 66 1HB LYS 10 HB2 LYS 10 138.611 4.771 -6.416 67 2HB LYS 10 HB1 LYS 10 138.628 4.469 -8.143 68 1HG LYS 10 HG2 LYS 10 140.447 6.345 -6.648 69 2HG LYS 10 HG1 LYS 10 140.865 4.742 -7.243 70 1HD LYS 10 HD2 LYS 10 140.489 5.507 -9.535 71 2HD LYS 10 HD1 LYS 10 140.060 7.108 -8.925 72 1HE LYS 10 HE2 LYS 10 142.289 7.375 -7.994 73 2HE LYS 10 HE1 LYS 10 142.724 5.749 -8.516 74 1HZ LYS 10 HZ1 LYS 10 143.576 7.397 -10.074 75 2HZ LYS 10 HZ2 LYS 10 142.041 8.039 -10.283 76 3HZ LYS 10 HZ3 LYS 10 142.372 6.466 -10.813 77 H TRP 11 HN TRP 11 136.287 6.480 -5.552 78 HA TRP 11 HA TRP 11 134.446 4.398 -6.220 79 1HB TRP 11 HB2 TRP 11 134.386 6.475 -4.054 80 2HB TRP 11 HB1 TRP 11 133.269 5.131 -4.143 81 HD1 TRP 11 HD1 TRP 11 136.126 3.379 -5.142 82 HE1 TRP 11 HE1 TRP 11 137.520 2.452 -3.243 83 HE3 TRP 11 HE3 TRP 11 134.197 6.187 -1.330 84 HZ2 TRP 11 HZ2 TRP 11 137.748 2.822 -0.426 85 HZ3 TRP 11 HZ3 TRP 11 135.043 5.810 0.954 86 HH2 TRP 11 HH2 TRP 11 136.784 4.174 1.379 87 H GLY 12 HN GLY 12 134.621 7.660 -6.994 88 1HA GLY 12 HA2 GLY 12 131.765 8.171 -7.064 89 2HA GLY 12 HA1 GLY 12 133.033 9.291 -7.531 90 H GLU 13 HN GLU 13 133.122 6.157 -8.862 91 HA GLU 13 HA GLU 13 131.719 7.062 -11.272 92 1HB GLU 13 HB2 GLU 13 133.477 6.024 -12.702 93 2HB GLU 13 HB1 GLU 13 134.028 7.429 -11.803 94 1HG GLU 13 HG2 GLU 13 135.075 5.951 -10.161 95 2HG GLU 13 HG1 GLU 13 134.539 4.558 -11.093 96 H SER 14 HN SER 14 131.584 4.906 -8.903 97 HA SER 14 HA SER 14 130.034 3.046 -10.283 98 1HB SER 14 HB2 SER 14 132.204 2.257 -11.191 99 2HB SER 14 HB1 SER 14 132.800 2.023 -9.553 100 HG SER 14 HG SER 14 131.289 0.442 -11.106 101 H PHE 15 HN PHE 15 128.595 2.871 -8.727 102 HA PHE 15 HA PHE 15 129.083 2.976 -5.952 103 1HB PHE 15 HB2 PHE 15 126.878 3.427 -6.971 104 2HB PHE 15 HB1 PHE 15 126.751 1.741 -7.447 105 HD1 PHE 15 HD1 PHE 15 127.711 3.389 -4.243 106 HD2 PHE 15 HD2 PHE 15 125.050 0.771 -6.252 107 HE1 PHE 15 HE1 PHE 15 126.575 2.918 -2.120 108 HE2 PHE 15 HE2 PHE 15 123.912 0.298 -4.123 109 HZ PHE 15 HZ PHE 15 124.677 1.377 -2.062 110 H ASP 16 HN ASP 16 129.033 0.364 -8.240 111 HA ASP 16 HA ASP 16 129.123 -1.766 -6.381 112 1HB ASP 16 HB2 ASP 16 128.481 -2.158 -8.699 113 2HB ASP 16 HB1 ASP 16 130.080 -1.666 -9.247 114 H LYS 17 HN LYS 17 131.554 0.283 -7.811 115 HA LYS 17 HA LYS 17 133.852 -1.236 -7.080 116 1HB LYS 17 HB2 LYS 17 133.917 0.566 -8.749 117 2HB LYS 17 HB1 LYS 17 133.514 1.729 -7.493 118 1HG LYS 17 HG2 LYS 17 135.497 1.284 -6.362 119 2HG LYS 17 HG1 LYS 17 136.030 0.086 -7.574 120 1HD LYS 17 HD2 LYS 17 135.635 2.092 -9.220 121 2HD LYS 17 HD1 LYS 17 135.750 3.068 -7.756 122 1HE LYS 17 HE2 LYS 17 137.916 3.041 -8.655 123 2HE LYS 17 HE1 LYS 17 137.953 1.887 -7.322 124 1HZ LYS 17 HZ1 LYS 17 139.048 1.004 -9.280 125 2HZ LYS 17 HZ2 LYS 17 137.675 1.281 -10.191 126 3HZ LYS 17 HZ3 LYS 17 137.651 0.082 -8.992 127 H LEU 18 HN LEU 18 132.153 1.439 -5.721 128 HA LEU 18 HA LEU 18 133.497 2.018 -3.403 129 1HB LEU 18 HB2 LEU 18 131.725 3.316 -4.311 130 2HB LEU 18 HB1 LEU 18 130.600 1.994 -4.153 131 HG LEU 18 HG LEU 18 130.691 2.254 -1.697 132 1HD1 LEU 18 HD11 LEU 18 132.924 3.257 -1.550 133 2HD1 LEU 18 HD12 LEU 18 131.697 4.258 -0.775 134 3HD1 LEU 18 HD13 LEU 18 132.320 4.694 -2.369 135 1HD2 LEU 18 HD21 LEU 18 129.009 3.247 -3.034 136 2HD2 LEU 18 HD22 LEU 18 130.066 4.618 -3.360 137 3HD2 LEU 18 HD23 LEU 18 129.442 4.351 -1.707 138 H LEU 19 HN LEU 19 130.788 -0.181 -3.873 139 HA LEU 19 HA LEU 19 130.724 -1.228 -1.268 140 1HB LEU 19 HB2 LEU 19 129.417 -1.743 -3.834 141 2HB LEU 19 HB1 LEU 19 129.451 -3.092 -2.725 142 HG LEU 19 HG LEU 19 127.945 -2.120 -1.283 143 1HD1 LEU 19 HD11 LEU 19 129.381 -0.076 -0.891 144 2HD1 LEU 19 HD12 LEU 19 127.655 0.157 -0.818 145 3HD1 LEU 19 HD13 LEU 19 128.550 0.682 -2.264 146 1HD2 LEU 19 HD21 LEU 19 126.902 -2.383 -3.437 147 2HD2 LEU 19 HD22 LEU 19 127.389 -0.750 -3.894 148 3HD2 LEU 19 HD23 LEU 19 126.229 -0.992 -2.588 149 H SER 20 HN SER 20 132.484 -2.267 -4.122 150 HA SER 20 HA SER 20 133.149 -4.818 -3.017 151 1HB SER 20 HB2 SER 20 134.459 -3.311 -5.293 152 2HB SER 20 HB1 SER 20 134.664 -5.026 -4.928 153 HG SER 20 HG SER 20 132.540 -3.657 -6.052 154 H HIS 21 HN HIS 21 134.343 -1.639 -2.680 155 HA HIS 21 HA HIS 21 136.937 -2.500 -1.665 156 1HB HIS 21 HB2 HIS 21 136.217 -0.161 -2.943 157 2HB HIS 21 HB1 HIS 21 135.959 0.283 -1.271 158 HD1 HIS 21 HD1 HIS 21 138.085 0.730 0.178 159 HD2 HIS 21 HD2 HIS 21 138.876 -0.682 -3.655 160 HE1 HIS 21 HE1 HIS 21 140.506 1.066 -0.168 161 HE2 HIS 21 HE2 HIS 21 141.000 -0.102 -2.328 162 H ARG 22 HN ARG 22 137.122 -2.968 0.467 163 HA ARG 22 HA ARG 22 134.859 -3.170 2.142 164 1HB ARG 22 HB2 ARG 22 136.908 -4.487 2.505 165 2HB ARG 22 HB1 ARG 22 137.772 -3.022 2.951 166 1HG ARG 22 HG2 ARG 22 136.228 -2.731 4.857 167 2HG ARG 22 HG1 ARG 22 135.469 -4.266 4.434 168 1HD ARG 22 HD2 ARG 22 137.074 -4.577 6.217 169 2HD ARG 22 HD1 ARG 22 137.615 -5.400 4.756 170 HE ARG 22 HE ARG 22 139.084 -3.411 4.398 171 1HH1 ARG 22 HH11 ARG 22 137.935 -4.076 7.705 172 2HH1 ARG 22 HH12 ARG 22 139.372 -3.533 8.444 173 1HH2 ARG 22 HH21 ARG 22 141.095 -2.713 5.466 174 2HH2 ARG 22 HH22 ARG 22 141.192 -2.768 7.158 175 H ASP 23 HN ASP 23 137.427 -0.797 2.071 176 HA ASP 23 HA ASP 23 136.585 0.913 4.129 177 1HB ASP 23 HB2 ASP 23 137.952 1.738 1.563 178 2HB ASP 23 HB1 ASP 23 137.891 2.671 3.049 179 H GLY 24 HN GLY 24 135.330 0.544 0.895 180 1HA GLY 24 HA2 GLY 24 134.049 3.160 0.922 181 2HA GLY 24 HA1 GLY 24 134.041 2.025 -0.408 182 H LEU 25 HN LEU 25 133.208 -0.218 0.758 183 HA LEU 25 HA LEU 25 130.488 0.026 1.042 184 1HB LEU 25 HB2 LEU 25 131.047 -2.139 0.618 185 2HB LEU 25 HB1 LEU 25 132.544 -2.034 1.501 186 HG LEU 25 HG LEU 25 129.994 -2.248 3.076 187 1HD1 LEU 25 HD11 LEU 25 131.442 -4.536 1.709 188 2HD1 LEU 25 HD12 LEU 25 129.829 -3.961 1.287 189 3HD1 LEU 25 HD13 LEU 25 130.122 -4.691 2.865 190 1HD2 LEU 25 HD21 LEU 25 132.189 -1.937 4.210 191 2HD2 LEU 25 HD22 LEU 25 132.797 -3.337 3.351 192 3HD2 LEU 25 HD23 LEU 25 131.509 -3.539 4.547 193 H GLU 26 HN GLU 26 133.044 0.015 3.426 194 HA GLU 26 HA GLU 26 131.431 0.225 5.698 195 1HB GLU 26 HB2 GLU 26 133.816 -0.484 5.414 196 2HB GLU 26 HB1 GLU 26 134.275 1.207 5.331 197 1HG GLU 26 HG2 GLU 26 132.955 -0.145 7.696 198 2HG GLU 26 HG1 GLU 26 134.679 0.131 7.538 199 H ALA 27 HN ALA 27 132.904 2.698 3.510 200 HA ALA 27 HA ALA 27 132.154 4.946 5.063 201 1HB ALA 27 HB1 ALA 27 132.617 4.724 2.059 202 2HB ALA 27 HB2 ALA 27 133.762 5.358 3.248 203 3HB ALA 27 HB3 ALA 27 132.265 6.215 2.900 204 H PHE 28 HN PHE 28 130.513 3.149 2.531 205 HA PHE 28 HA PHE 28 128.289 4.912 2.449 206 1HB PHE 28 HB2 PHE 28 128.981 3.478 0.515 207 2HB PHE 28 HB1 PHE 28 128.378 2.078 1.396 208 HD1 PHE 28 HD1 PHE 28 127.425 5.222 -0.246 209 HD2 PHE 28 HD2 PHE 28 126.036 1.616 1.512 210 HE1 PHE 28 HE1 PHE 28 125.180 5.654 -1.142 211 HE2 PHE 28 HE2 PHE 28 123.789 2.041 0.620 212 HZ PHE 28 HZ PHE 28 123.359 4.061 -0.706 213 H THR 29 HN THR 29 128.888 1.823 4.118 214 HA THR 29 HA THR 29 126.290 1.459 5.112 215 HB THR 29 HB THR 29 127.215 0.196 7.017 216 HG1 THR 29 HG1 THR 29 129.674 1.417 6.208 217 1HG2 THR 29 HG21 THR 29 127.034 -0.834 4.872 218 2HG2 THR 29 HG22 THR 29 128.513 -1.394 5.753 219 3HG2 THR 29 HG23 THR 29 128.607 -0.089 4.521 220 H ARG 30 HN ARG 30 128.927 3.211 6.317 221 HA ARG 30 HA ARG 30 127.852 4.074 8.683 222 1HB ARG 30 HB2 ARG 30 129.737 5.577 6.889 223 2HB ARG 30 HB1 ARG 30 129.280 6.171 8.475 224 1HG ARG 30 HG2 ARG 30 130.192 4.129 9.468 225 2HG ARG 30 HG1 ARG 30 130.699 3.607 7.859 226 1HD ARG 30 HD2 ARG 30 132.519 4.686 9.117 227 2HD ARG 30 HD1 ARG 30 132.117 5.537 7.624 228 HE ARG 30 HE ARG 30 130.629 6.607 9.744 229 1HH1 ARG 30 HH11 ARG 30 134.007 6.515 8.643 230 2HH1 ARG 30 HH12 ARG 30 134.407 8.032 9.271 231 1HH2 ARG 30 HH21 ARG 30 131.160 8.734 10.552 232 2HH2 ARG 30 HH22 ARG 30 132.765 9.308 10.390 233 H PHE 31 HN PHE 31 127.809 5.691 5.579 234 HA PHE 31 HA PHE 31 126.231 7.911 6.075 235 1HB PHE 31 HB2 PHE 31 127.398 7.804 4.033 236 2HB PHE 31 HB1 PHE 31 126.759 6.215 3.648 237 HD1 PHE 31 HD1 PHE 31 124.757 5.963 2.456 238 HD2 PHE 31 HD2 PHE 31 125.936 9.799 3.848 239 HE1 PHE 31 HE1 PHE 31 122.998 6.984 1.094 240 HE2 PHE 31 HE2 PHE 31 124.171 10.826 2.491 241 HZ PHE 31 HZ PHE 31 122.701 9.416 1.117 242 H LEU 32 HN LEU 32 125.319 4.678 5.104 243 HA LEU 32 HA LEU 32 122.556 5.231 4.796 244 1HB LEU 32 HB2 LEU 32 124.131 3.452 3.747 245 2HB LEU 32 HB1 LEU 32 123.758 2.524 5.180 246 HG LEU 32 HG LEU 32 121.388 2.538 4.575 247 1HD1 LEU 32 HD11 LEU 32 121.330 4.683 3.395 248 2HD1 LEU 32 HD12 LEU 32 120.702 3.386 2.379 249 3HD1 LEU 32 HD13 LEU 32 122.329 4.008 2.109 250 1HD2 LEU 32 HD21 LEU 32 122.770 0.710 3.823 251 2HD2 LEU 32 HD22 LEU 32 123.297 1.615 2.425 252 3HD2 LEU 32 HD23 LEU 32 121.607 1.112 2.562 253 H LYS 33 HN LYS 33 124.546 3.894 7.381 254 HA LYS 33 HA LYS 33 122.439 3.042 9.081 255 1HB LYS 33 HB2 LYS 33 125.335 3.689 9.659 256 2HB LYS 33 HB1 LYS 33 124.223 3.131 10.895 257 1HG LYS 33 HG2 LYS 33 123.919 1.038 9.713 258 2HG LYS 33 HG1 LYS 33 124.951 1.610 8.401 259 1HD LYS 33 HD2 LYS 33 126.852 1.712 9.907 260 2HD LYS 33 HD1 LYS 33 125.828 1.241 11.266 261 1HE LYS 33 HE2 LYS 33 126.259 -0.461 8.810 262 2HE LYS 33 HE1 LYS 33 127.194 -0.626 10.293 263 1HZ LYS 33 HZ1 LYS 33 124.216 -0.876 10.271 264 2HZ LYS 33 HZ2 LYS 33 125.307 -1.359 11.468 265 3HZ LYS 33 HZ3 LYS 33 125.232 -2.173 10.003 266 H THR 34 HN THR 34 124.325 6.021 8.883 267 HA THR 34 HA THR 34 123.306 7.040 11.269 268 HB THR 34 HB THR 34 125.461 7.792 10.260 269 HG1 THR 34 HG1 THR 34 124.372 9.006 11.850 270 1HG2 THR 34 HG21 THR 34 123.699 9.399 8.404 271 2HG2 THR 34 HG22 THR 34 124.754 8.065 7.938 272 3HG2 THR 34 HG23 THR 34 125.450 9.562 8.559 273 H GLU 35 HN GLU 35 121.987 7.187 8.015 274 HA GLU 35 HA GLU 35 119.879 8.890 9.107 275 1HB GLU 35 HB2 GLU 35 119.096 9.253 6.789 276 2HB GLU 35 HB1 GLU 35 120.737 9.803 7.055 277 1HG GLU 35 HG2 GLU 35 121.605 7.896 5.863 278 2HG GLU 35 HG1 GLU 35 119.980 7.220 5.703 279 H PHE 36 HN PHE 36 120.336 6.014 9.513 280 HA PHE 36 HA PHE 36 119.321 4.090 9.615 281 1HB PHE 36 HB2 PHE 36 116.966 4.129 10.573 282 2HB PHE 36 HB1 PHE 36 118.202 4.995 11.460 283 HD1 PHE 36 HD1 PHE 36 115.160 5.317 9.418 284 HD2 PHE 36 HD2 PHE 36 118.074 7.390 11.728 285 HE1 PHE 36 HE1 PHE 36 113.707 7.300 9.467 286 HE2 PHE 36 HE2 PHE 36 116.628 9.376 11.773 287 HZ PHE 36 HZ PHE 36 114.440 9.333 10.645 288 H SER 37 HN SER 37 119.717 3.971 7.242 289 HA SER 37 HA SER 37 117.326 2.642 6.219 290 1HB SER 37 HB2 SER 37 119.043 4.560 4.590 291 2HB SER 37 HB1 SER 37 117.681 3.618 3.974 292 HG SER 37 HG SER 37 116.943 4.934 6.160 293 H GLU 38 HN GLU 38 119.798 1.912 7.523 294 HA GLU 38 HA GLU 38 121.844 1.051 5.759 295 1HB GLU 38 HB2 GLU 38 122.748 -0.106 7.717 296 2HB GLU 38 HB1 GLU 38 122.305 1.555 8.079 297 1HG GLU 38 HG2 GLU 38 120.220 0.752 9.110 298 2HG GLU 38 HG1 GLU 38 120.719 -0.905 8.785 299 H GLU 39 HN GLU 39 118.892 -0.304 6.744 300 HA GLU 39 HA GLU 39 119.412 -3.023 6.569 301 1HB GLU 39 HB2 GLU 39 116.789 -1.687 5.945 302 2HB GLU 39 HB1 GLU 39 117.037 -3.354 6.435 303 1HG GLU 39 HG2 GLU 39 116.390 -2.472 8.418 304 2HG GLU 39 HG1 GLU 39 118.125 -2.211 8.541 305 H ASN 40 HN ASN 40 119.246 -0.782 4.022 306 HA ASN 40 HA ASN 40 118.482 -2.702 2.009 307 1HB ASN 40 HB2 ASN 40 119.670 0.068 1.817 308 2HB ASN 40 HB1 ASN 40 119.367 -0.922 0.396 309 1HD2 ASN 40 HD21 ASN 40 118.212 1.643 1.243 310 2HD2 ASN 40 HD22 ASN 40 116.516 1.407 1.264 311 H ILE 41 HN ILE 41 121.550 -1.168 2.909 312 HA ILE 41 HA ILE 41 122.996 -2.845 1.152 313 HB ILE 41 HB ILE 41 123.743 -0.546 2.239 314 1HG1 ILE 41 HG12 ILE 41 125.787 -2.758 1.920 315 2HG1 ILE 41 HG11 ILE 41 125.024 -1.908 0.586 316 1HG2 ILE 41 HG21 ILE 41 124.805 -2.501 4.292 317 2HG2 ILE 41 HG22 ILE 41 123.657 -1.197 4.568 318 3HG2 ILE 41 HG23 ILE 41 125.323 -0.823 4.123 319 1HD1 ILE 41 HD11 ILE 41 127.139 -0.881 0.907 320 2HD1 ILE 41 HD12 ILE 41 126.883 -0.797 2.656 321 3HD1 ILE 41 HD13 ILE 41 125.913 0.207 1.582 322 H GLU 42 HN GLU 42 121.973 -3.034 4.497 323 HA GLU 42 HA GLU 42 123.290 -5.526 4.636 324 1HB GLU 42 HB2 GLU 42 121.961 -3.954 6.774 325 2HB GLU 42 HB1 GLU 42 122.264 -5.677 7.016 326 1HG GLU 42 HG2 GLU 42 124.645 -5.287 6.456 327 2HG GLU 42 HG1 GLU 42 124.343 -3.589 6.360 328 H PHE 43 HN PHE 43 120.592 -4.741 3.269 329 HA PHE 43 HA PHE 43 119.147 -7.135 3.679 330 1HB PHE 43 HB2 PHE 43 118.054 -5.340 2.490 331 2HB PHE 43 HB1 PHE 43 119.382 -5.199 1.355 332 HD1 PHE 43 HD1 PHE 43 119.630 -6.815 -0.455 333 HD2 PHE 43 HD2 PHE 43 116.339 -6.935 2.206 334 HE1 PHE 43 HE1 PHE 43 118.430 -8.266 -2.031 335 HE2 PHE 43 HE2 PHE 43 115.127 -8.363 0.650 336 HZ PHE 43 HZ PHE 43 116.174 -9.047 -1.475 337 H TRP 44 HN TRP 44 121.455 -6.076 1.160 338 HA TRP 44 HA TRP 44 121.720 -8.877 0.678 339 1HB TRP 44 HB2 TRP 44 123.258 -8.448 -1.238 340 2HB TRP 44 HB1 TRP 44 121.642 -7.807 -1.391 341 HD1 TRP 44 HD1 TRP 44 121.536 -5.469 -2.324 342 HE1 TRP 44 HE1 TRP 44 123.184 -3.551 -2.661 343 HE3 TRP 44 HE3 TRP 44 125.540 -7.401 0.199 344 HZ2 TRP 44 HZ2 TRP 44 125.822 -2.911 -1.900 345 HZ3 TRP 44 HZ3 TRP 44 127.589 -6.057 0.353 346 HH2 TRP 44 HH2 TRP 44 127.722 -3.860 -0.679 347 H ILE 45 HN ILE 45 123.549 -6.712 2.495 348 HA ILE 45 HA ILE 45 125.736 -8.485 2.741 349 HB ILE 45 HB ILE 45 124.744 -6.239 4.510 350 1HG1 ILE 45 HG12 ILE 45 127.358 -6.660 3.066 351 2HG1 ILE 45 HG11 ILE 45 126.015 -5.693 2.478 352 1HG2 ILE 45 HG21 ILE 45 125.457 -7.963 6.029 353 2HG2 ILE 45 HG22 ILE 45 126.390 -6.474 6.110 354 3HG2 ILE 45 HG23 ILE 45 127.084 -7.910 5.316 355 1HD1 ILE 45 HD11 ILE 45 126.291 -4.168 4.367 356 2HD1 ILE 45 HD12 ILE 45 127.763 -4.304 3.404 357 3HD1 ILE 45 HD13 ILE 45 127.641 -5.145 4.952 358 H ALA 46 HN ALA 46 122.527 -8.416 4.165 359 HA ALA 46 HA ALA 46 122.968 -10.417 6.051 360 1HB ALA 46 HB1 ALA 46 120.483 -9.769 4.471 361 2HB ALA 46 HB2 ALA 46 120.840 -9.269 6.133 362 3HB ALA 46 HB3 ALA 46 120.516 -10.970 5.745 363 H CYS 47 HN CYS 47 122.211 -10.484 2.617 364 HA CYS 47 HA CYS 47 122.068 -13.313 2.366 365 1HB CYS 47 HB2 CYS 47 121.154 -11.758 0.652 366 2HB CYS 47 HB1 CYS 47 122.789 -11.264 0.243 367 HG CYS 47 HG CYS 47 122.970 -12.961 -1.670 368 H GLU 48 HN GLU 48 124.709 -11.048 2.294 369 HA GLU 48 HA GLU 48 126.773 -12.819 1.482 370 1HB GLU 48 HB2 GLU 48 127.077 -10.440 1.388 371 2HB GLU 48 HB1 GLU 48 126.713 -10.273 3.087 372 1HG GLU 48 HG2 GLU 48 129.056 -9.929 2.740 373 2HG GLU 48 HG1 GLU 48 128.839 -11.455 3.586 374 H ASP 49 HN ASP 49 125.503 -11.818 4.610 375 HA ASP 49 HA ASP 49 127.127 -13.510 6.242 376 1HB ASP 49 HB2 ASP 49 125.925 -11.511 7.079 377 2HB ASP 49 HB1 ASP 49 124.398 -12.345 6.811 378 H PHE 50 HN PHE 50 124.137 -13.880 4.580 379 HA PHE 50 HA PHE 50 123.275 -16.327 5.622 380 1HB PHE 50 HB2 PHE 50 121.798 -14.910 4.362 381 2HB PHE 50 HB1 PHE 50 122.860 -14.955 2.966 382 HD1 PHE 50 HD1 PHE 50 122.527 -16.484 1.314 383 HD2 PHE 50 HD2 PHE 50 120.741 -17.044 5.095 384 HE1 PHE 50 HE1 PHE 50 121.262 -18.375 0.418 385 HE2 PHE 50 HE2 PHE 50 119.470 -18.955 4.218 386 HZ PHE 50 HZ PHE 50 119.733 -19.612 1.868 387 H LYS 51 HN LYS 51 125.252 -15.531 2.824 388 HA LYS 51 HA LYS 51 125.884 -18.140 1.960 389 1HB LYS 51 HB2 LYS 51 126.199 -16.130 0.605 390 2HB LYS 51 HB1 LYS 51 127.400 -15.537 1.731 391 1HG LYS 51 HG2 LYS 51 128.862 -17.407 1.136 392 2HG LYS 51 HG1 LYS 51 127.646 -17.973 -0.011 393 1HD LYS 51 HD2 LYS 51 129.365 -16.704 -1.164 394 2HD LYS 51 HD1 LYS 51 127.825 -15.851 -1.230 395 1HE LYS 51 HE2 LYS 51 128.549 -14.408 0.601 396 2HE LYS 51 HE1 LYS 51 130.083 -15.273 0.680 397 1HZ LYS 51 HZ1 LYS 51 130.510 -14.566 -1.611 398 2HZ LYS 51 HZ2 LYS 51 130.349 -13.261 -0.555 399 3HZ LYS 51 HZ3 LYS 51 129.089 -13.654 -1.609 400 H LYS 52 HN LYS 52 127.161 -16.067 4.369 401 HA LYS 52 HA LYS 52 129.560 -17.447 5.090 402 1HB LYS 52 HB2 LYS 52 129.071 -15.086 5.562 403 2HB LYS 52 HB1 LYS 52 127.746 -15.577 6.616 404 1HG LYS 52 HG2 LYS 52 129.538 -16.692 8.031 405 2HG LYS 52 HG1 LYS 52 130.704 -15.775 7.061 406 1HD LYS 52 HD2 LYS 52 128.391 -14.605 8.604 407 2HD LYS 52 HD1 LYS 52 130.092 -14.531 9.105 408 1HE LYS 52 HE2 LYS 52 130.595 -13.114 7.229 409 2HE LYS 52 HE1 LYS 52 128.992 -13.375 6.542 410 1HZ LYS 52 HZ1 LYS 52 129.608 -11.910 9.067 411 2HZ LYS 52 HZ2 LYS 52 128.064 -12.293 8.533 412 3HZ LYS 52 HZ3 LYS 52 129.032 -11.248 7.615 413 H SER 53 HN SER 53 126.194 -17.776 5.770 414 HA SER 53 HA SER 53 126.557 -19.628 8.012 415 1HB SER 53 HB2 SER 53 124.062 -18.452 6.805 416 2HB SER 53 HB1 SER 53 124.182 -19.323 8.319 417 HG SER 53 HG SER 53 125.486 -16.860 7.754 418 H LYS 54 HN LYS 54 127.445 -20.532 5.687 419 HA LYS 54 HA LYS 54 125.583 -21.708 3.931 420 1HB LYS 54 HB2 LYS 54 127.604 -23.005 3.038 421 2HB LYS 54 HB1 LYS 54 127.582 -21.259 2.894 422 1HG LYS 54 HG2 LYS 54 129.784 -21.989 3.503 423 2HG LYS 54 HG1 LYS 54 129.078 -21.106 4.851 424 1HD LYS 54 HD2 LYS 54 128.546 -23.268 5.923 425 2HD LYS 54 HD1 LYS 54 129.339 -24.101 4.581 426 1HE LYS 54 HE2 LYS 54 130.840 -23.885 6.498 427 2HE LYS 54 HE1 LYS 54 131.438 -22.983 5.107 428 1HZ LYS 54 HZ1 LYS 54 130.600 -20.939 6.110 429 2HZ LYS 54 HZ2 LYS 54 131.661 -21.731 7.145 430 3HZ LYS 54 HZ3 LYS 54 129.984 -21.821 7.426 431 H GLY 55 HN GLY 55 125.589 -22.641 6.845 432 1HA GLY 55 HA2 GLY 55 125.762 -25.506 6.591 433 2HA GLY 55 HA1 GLY 55 125.014 -24.610 7.928 434 HA PRO 56 HA PRO 56 122.236 -25.438 4.020 435 1HB PRO 56 HB2 PRO 56 121.420 -28.073 4.212 436 2HB PRO 56 HB1 PRO 56 122.724 -27.482 3.172 437 1HG PRO 56 HG2 PRO 56 122.880 -28.784 5.854 438 2HG PRO 56 HG1 PRO 56 123.933 -28.987 4.443 439 1HD PRO 56 HD2 PRO 56 124.629 -27.471 6.575 440 2HD PRO 56 HD1 PRO 56 125.150 -27.088 4.926 441 H GLN 57 HN GLN 57 121.857 -26.717 7.263 442 HA GLN 57 HA GLN 57 118.977 -26.565 7.143 443 1HB GLN 57 HB2 GLN 57 120.762 -26.749 9.573 444 2HB GLN 57 HB1 GLN 57 119.013 -26.911 9.580 445 1HG GLN 57 HG2 GLN 57 119.291 -28.890 8.072 446 2HG GLN 57 HG1 GLN 57 121.028 -28.768 8.355 447 1HE2 GLN 57 HE21 GLN 57 118.589 -28.053 10.760 448 2HE2 GLN 57 HE22 GLN 57 118.915 -29.412 11.768 449 H GLN 58 HN GLN 58 121.620 -24.548 8.121 450 HA GLN 58 HA GLN 58 120.148 -22.502 9.401 451 1HB GLN 58 HB2 GLN 58 122.590 -22.729 9.666 452 2HB GLN 58 HB1 GLN 58 122.815 -22.359 7.963 453 1HG GLN 58 HG2 GLN 58 123.319 -20.477 9.402 454 2HG GLN 58 HG1 GLN 58 121.991 -20.056 8.333 455 1HE2 GLN 58 HE21 GLN 58 121.043 -18.579 9.635 456 2HE2 GLN 58 HE22 GLN 58 120.357 -18.916 11.181 457 H ILE 59 HN ILE 59 121.070 -23.192 6.122 458 HA ILE 59 HA ILE 59 120.429 -20.853 4.805 459 HB ILE 59 HB ILE 59 119.855 -23.645 3.788 460 1HG1 ILE 59 HG12 ILE 59 122.148 -23.596 4.435 461 2HG1 ILE 59 HG11 ILE 59 122.101 -23.458 2.686 462 1HG2 ILE 59 HG21 ILE 59 120.086 -22.707 1.529 463 2HG2 ILE 59 HG22 ILE 59 120.305 -21.106 2.241 464 3HG2 ILE 59 HG23 ILE 59 118.780 -21.943 2.448 465 1HD1 ILE 59 HD11 ILE 59 122.588 -21.069 2.856 466 2HD1 ILE 59 HD12 ILE 59 123.776 -22.066 3.710 467 3HD1 ILE 59 HD13 ILE 59 122.575 -21.189 4.629 468 H HIS 60 HN HIS 60 118.292 -23.519 5.613 469 HA HIS 60 HA HIS 60 115.929 -22.453 4.460 470 1HB HIS 60 HB2 HIS 60 116.136 -24.351 6.811 471 2HB HIS 60 HB1 HIS 60 114.646 -23.969 5.966 472 HD1 HIS 60 HD1 HIS 60 114.212 -25.185 3.779 473 HD2 HIS 60 HD2 HIS 60 117.928 -25.949 5.417 474 HE1 HIS 60 HE1 HIS 60 115.171 -27.058 2.409 475 HE2 HIS 60 HE2 HIS 60 117.547 -27.245 3.240 476 H LEU 61 HN LEU 61 117.173 -22.266 7.721 477 HA LEU 61 HA LEU 61 115.032 -20.868 8.934 478 1HB LEU 61 HB2 LEU 61 117.943 -20.704 9.645 479 2HB LEU 61 HB1 LEU 61 116.572 -20.442 10.699 480 HG LEU 61 HG LEU 61 117.285 -23.088 9.468 481 1HD1 LEU 61 HD11 LEU 61 118.182 -23.651 11.652 482 2HD1 LEU 61 HD12 LEU 61 117.816 -22.009 12.220 483 3HD1 LEU 61 HD13 LEU 61 118.994 -22.257 10.926 484 1HD2 LEU 61 HD21 LEU 61 115.744 -23.975 11.143 485 2HD2 LEU 61 HD22 LEU 61 114.940 -22.851 10.043 486 3HD2 LEU 61 HD23 LEU 61 115.375 -22.329 11.675 487 H LYS 62 HN LYS 62 118.232 -19.793 8.121 488 HA LYS 62 HA LYS 62 117.819 -17.087 8.560 489 1HB LYS 62 HB2 LYS 62 120.006 -18.011 8.723 490 2HB LYS 62 HB1 LYS 62 119.992 -18.526 7.059 491 1HG LYS 62 HG2 LYS 62 120.406 -16.497 6.241 492 2HG LYS 62 HG1 LYS 62 119.773 -15.608 7.651 493 1HD LYS 62 HD2 LYS 62 122.326 -17.247 7.590 494 2HD LYS 62 HD1 LYS 62 122.278 -15.511 7.283 495 1HE LYS 62 HE2 LYS 62 121.302 -15.179 9.539 496 2HE LYS 62 HE1 LYS 62 121.451 -16.908 9.831 497 1HZ LYS 62 HZ1 LYS 62 123.310 -15.701 10.816 498 2HZ LYS 62 HZ2 LYS 62 123.691 -14.996 9.358 499 3HZ LYS 62 HZ3 LYS 62 123.908 -16.646 9.539 500 H ALA 63 HN ALA 63 117.702 -18.808 5.467 501 HA ALA 63 HA ALA 63 117.350 -16.484 3.881 502 1HB ALA 63 HB1 ALA 63 116.489 -17.921 2.104 503 2HB ALA 63 HB2 ALA 63 116.163 -19.184 3.283 504 3HB ALA 63 HB3 ALA 63 117.827 -18.769 2.901 505 H LYS 64 HN LYS 64 114.981 -18.661 5.325 506 HA LYS 64 HA LYS 64 112.718 -17.314 4.313 507 1HB LYS 64 HB2 LYS 64 112.799 -19.667 5.144 508 2HB LYS 64 HB1 LYS 64 112.900 -19.042 6.775 509 1HG LYS 64 HG2 LYS 64 110.657 -19.788 6.261 510 2HG LYS 64 HG1 LYS 64 110.686 -18.049 6.538 511 1HD LYS 64 HD2 LYS 64 110.494 -17.591 4.213 512 2HD LYS 64 HD1 LYS 64 110.799 -19.277 3.791 513 1HE LYS 64 HE2 LYS 64 108.437 -18.735 3.570 514 2HE LYS 64 HE1 LYS 64 108.697 -19.935 4.827 515 1HZ LYS 64 HZ1 LYS 64 108.536 -18.024 6.467 516 2HZ LYS 64 HZ2 LYS 64 107.145 -18.444 5.640 517 3HZ LYS 64 HZ3 LYS 64 107.941 -17.072 5.168 518 H ALA 65 HN ALA 65 114.668 -16.832 7.167 519 HA ALA 65 HA ALA 65 112.914 -15.072 8.522 520 1HB ALA 65 HB1 ALA 65 114.787 -16.201 9.648 521 2HB ALA 65 HB2 ALA 65 114.874 -14.450 9.848 522 3HB ALA 65 HB3 ALA 65 115.923 -15.256 8.684 523 H ILE 66 HN ILE 66 115.732 -14.487 6.424 524 HA ILE 66 HA ILE 66 115.593 -11.678 6.325 525 HB ILE 66 HB ILE 66 116.608 -13.602 4.196 526 1HG1 ILE 66 HG12 ILE 66 118.137 -12.151 6.373 527 2HG1 ILE 66 HG11 ILE 66 117.715 -13.860 6.394 528 1HG2 ILE 66 HG21 ILE 66 117.113 -10.642 4.513 529 2HG2 ILE 66 HG22 ILE 66 116.255 -11.449 3.193 530 3HG2 ILE 66 HG23 ILE 66 117.986 -11.702 3.404 531 1HD1 ILE 66 HD11 ILE 66 119.128 -14.155 4.340 532 2HD1 ILE 66 HD12 ILE 66 119.993 -13.652 5.774 533 3HD1 ILE 66 HD13 ILE 66 119.629 -12.460 4.533 534 H TYR 67 HN TYR 67 114.170 -14.178 4.394 535 HA TYR 67 HA TYR 67 112.839 -12.827 2.391 536 1HB TYR 67 HB2 TYR 67 112.964 -15.218 2.488 537 2HB TYR 67 HB1 TYR 67 112.059 -15.254 3.993 538 HD1 TYR 67 HD1 TYR 67 111.812 -14.323 0.441 539 HD2 TYR 67 HD2 TYR 67 109.764 -15.469 3.961 540 HE1 TYR 67 HE1 TYR 67 109.789 -14.498 -0.841 541 HE2 TYR 67 HE2 TYR 67 107.687 -15.691 2.708 542 HH TYR 67 HH TYR 67 107.483 -15.873 -0.537 543 H GLU 68 HN GLU 68 111.488 -13.636 5.612 544 HA GLU 68 HA GLU 68 109.084 -12.216 5.017 545 1HB GLU 68 HB2 GLU 68 110.065 -13.206 7.674 546 2HB GLU 68 HB1 GLU 68 108.441 -12.652 7.315 547 1HG GLU 68 HG2 GLU 68 108.280 -14.480 5.627 548 2HG GLU 68 HG1 GLU 68 109.816 -15.093 6.236 549 H LYS 69 HN LYS 69 112.071 -11.245 6.341 550 HA LYS 69 HA LYS 69 110.921 -8.945 7.675 551 1HB LYS 69 HB2 LYS 69 112.763 -10.115 8.759 552 2HB LYS 69 HB1 LYS 69 113.791 -9.838 7.363 553 1HG LYS 69 HG2 LYS 69 113.773 -7.459 7.785 554 2HG LYS 69 HG1 LYS 69 112.668 -7.679 9.143 555 1HD LYS 69 HD2 LYS 69 115.439 -8.865 8.955 556 2HD LYS 69 HD1 LYS 69 115.053 -7.372 9.811 557 1HE LYS 69 HE2 LYS 69 113.565 -8.599 11.297 558 2HE LYS 69 HE1 LYS 69 113.890 -10.089 10.415 559 1HZ LYS 69 HZ1 LYS 69 115.926 -8.508 11.915 560 2HZ LYS 69 HZ2 LYS 69 116.193 -9.942 11.074 561 3HZ LYS 69 HZ3 LYS 69 115.183 -9.941 12.437 562 H PHE 70 HN PHE 70 112.172 -9.691 4.571 563 HA PHE 70 HA PHE 70 112.479 -6.829 3.986 564 1HB PHE 70 HB2 PHE 70 114.390 -9.027 3.202 565 2HB PHE 70 HB1 PHE 70 114.407 -7.419 2.507 566 HD1 PHE 70 HD1 PHE 70 114.956 -5.472 3.993 567 HD2 PHE 70 HD2 PHE 70 115.449 -9.506 5.233 568 HE1 PHE 70 HE1 PHE 70 116.506 -4.737 5.752 569 HE2 PHE 70 HE2 PHE 70 116.992 -8.779 7.003 570 HZ PHE 70 HZ PHE 70 117.522 -6.392 7.264 571 H ILE 71 HN ILE 71 112.476 -10.027 2.485 572 HA ILE 71 HA ILE 71 111.781 -9.153 -0.094 573 HB ILE 71 HB ILE 71 111.470 -11.916 1.144 574 1HG1 ILE 71 HG12 ILE 71 113.732 -11.144 1.336 575 2HG1 ILE 71 HG11 ILE 71 113.652 -12.382 0.086 576 1HG2 ILE 71 HG21 ILE 71 111.328 -12.893 -0.942 577 2HG2 ILE 71 HG22 ILE 71 111.894 -11.477 -1.800 578 3HG2 ILE 71 HG23 ILE 71 110.245 -11.507 -1.112 579 1HD1 ILE 71 HD11 ILE 71 113.799 -9.408 -0.356 580 2HD1 ILE 71 HD12 ILE 71 113.665 -10.602 -1.626 581 3HD1 ILE 71 HD13 ILE 71 115.098 -10.568 -0.604 582 H GLN 72 HN GLN 72 109.964 -9.981 2.702 583 HA GLN 72 HA GLN 72 107.447 -10.458 1.484 584 1HB GLN 72 HB2 GLN 72 108.065 -11.041 3.874 585 2HB GLN 72 HB1 GLN 72 107.909 -9.321 4.241 586 1HG GLN 72 HG2 GLN 72 105.892 -10.600 4.837 587 2HG GLN 72 HG1 GLN 72 105.595 -9.341 3.639 588 1HE2 GLN 72 HE21 GLN 72 105.849 -12.773 4.174 589 2HE2 GLN 72 HE22 GLN 72 105.194 -13.284 2.669 590 H THR 73 HN THR 73 105.775 -9.060 1.100 591 HA THR 73 HA THR 73 106.621 -6.516 0.177 592 HB THR 73 HB THR 73 103.772 -7.518 0.456 593 HG1 THR 73 HG1 THR 73 105.379 -8.831 -0.856 594 1HG2 THR 73 HG21 THR 73 103.969 -5.094 0.046 595 2HG2 THR 73 HG22 THR 73 103.310 -5.929 -1.361 596 3HG2 THR 73 HG23 THR 73 104.999 -5.417 -1.349 597 H ASP 74 HN ASP 74 104.136 -7.285 2.632 598 HA ASP 74 HA ASP 74 104.832 -4.746 3.871 599 1HB ASP 74 HB2 ASP 74 102.410 -5.253 3.719 600 2HB ASP 74 HB1 ASP 74 102.667 -6.719 4.667 601 H ALA 75 HN ALA 75 106.708 -5.052 4.716 602 HA ALA 75 HA ALA 75 107.074 -7.270 6.610 603 1HB ALA 75 HB1 ALA 75 109.009 -5.995 4.679 604 2HB ALA 75 HB2 ALA 75 108.447 -7.679 4.675 605 3HB ALA 75 HB3 ALA 75 109.485 -7.074 5.978 606 HA PRO 76 HA PRO 76 108.221 -4.139 9.566 607 1HB PRO 76 HB2 PRO 76 110.544 -5.114 10.665 608 2HB PRO 76 HB1 PRO 76 108.931 -5.693 11.100 609 1HG PRO 76 HG2 PRO 76 110.927 -6.876 9.219 610 2HG PRO 76 HG1 PRO 76 109.880 -7.688 10.397 611 1HD PRO 76 HD2 PRO 76 109.312 -7.646 7.773 612 2HD PRO 76 HD1 PRO 76 108.035 -7.595 9.005 613 H LYS 77 HN LYS 77 110.523 -5.140 7.170 614 HA LYS 77 HA LYS 77 111.956 -2.591 7.508 615 1HB LYS 77 HB2 LYS 77 112.973 -5.166 6.316 616 2HB LYS 77 HB1 LYS 77 113.866 -3.657 6.327 617 1HG LYS 77 HG2 LYS 77 112.927 -4.992 8.857 618 2HG LYS 77 HG1 LYS 77 114.459 -5.389 8.091 619 1HD LYS 77 HD2 LYS 77 114.854 -3.799 9.864 620 2HD LYS 77 HD1 LYS 77 115.141 -3.012 8.321 621 1HE LYS 77 HE2 LYS 77 112.929 -1.954 8.479 622 2HE LYS 77 HE1 LYS 77 112.673 -2.745 10.032 623 1HZ LYS 77 HZ1 LYS 77 113.398 -0.451 10.227 624 2HZ LYS 77 HZ2 LYS 77 114.844 -0.809 9.438 625 3HZ LYS 77 HZ3 LYS 77 114.505 -1.509 10.953 626 H GLU 78 HN GLU 78 110.904 -4.885 5.011 627 HA GLU 78 HA GLU 78 109.923 -4.611 2.980 628 1HB GLU 78 HB2 GLU 78 109.865 -1.649 3.557 629 2HB GLU 78 HB1 GLU 78 108.978 -2.481 2.289 630 1HG GLU 78 HG2 GLU 78 107.597 -3.569 3.873 631 2HG GLU 78 HG1 GLU 78 108.600 -3.010 5.214 632 H VAL 79 HN VAL 79 110.560 -4.289 0.859 633 HA VAL 79 HA VAL 79 113.039 -2.784 0.427 634 HB VAL 79 HB VAL 79 112.481 -5.534 -0.743 635 1HG1 VAL 79 HG11 VAL 79 114.959 -3.838 -0.809 636 2HG1 VAL 79 HG12 VAL 79 113.864 -4.163 -2.156 637 3HG1 VAL 79 HG13 VAL 79 114.808 -5.477 -1.445 638 1HG2 VAL 79 HG21 VAL 79 114.418 -4.850 1.462 639 2HG2 VAL 79 HG22 VAL 79 114.217 -6.435 0.681 640 3HG2 VAL 79 HG23 VAL 79 112.914 -5.758 1.634 641 H ASN 80 HN ASN 80 113.032 -1.725 -1.522 642 HA ASN 80 HA ASN 80 110.560 -1.649 -3.081 643 1HB ASN 80 HB2 ASN 80 113.224 -0.259 -3.577 644 2HB ASN 80 HB1 ASN 80 111.726 0.083 -4.419 645 1HD2 ASN 80 HD21 ASN 80 110.128 -0.072 -1.863 646 2HD2 ASN 80 HD22 ASN 80 110.528 1.393 -1.053 647 H LEU 81 HN LEU 81 111.516 -4.089 -3.125 648 HA LEU 81 HA LEU 81 113.438 -4.686 -5.159 649 1HB LEU 81 HB2 LEU 81 113.348 -5.914 -3.152 650 2HB LEU 81 HB1 LEU 81 111.677 -6.429 -3.421 651 HG LEU 81 HG LEU 81 112.647 -7.727 -5.411 652 1HD1 LEU 81 HD11 LEU 81 115.183 -6.944 -4.038 653 2HD1 LEU 81 HD12 LEU 81 114.664 -6.448 -5.654 654 3HD1 LEU 81 HD13 LEU 81 115.018 -8.148 -5.307 655 1HD2 LEU 81 HD21 LEU 81 112.070 -8.802 -3.283 656 2HD2 LEU 81 HD22 LEU 81 113.657 -8.415 -2.634 657 3HD2 LEU 81 HD23 LEU 81 113.507 -9.515 -3.993 658 H ASP 82 HN ASP 82 113.111 -5.354 -7.126 659 HA ASP 82 HA ASP 82 110.866 -4.900 -8.668 660 1HB ASP 82 HB2 ASP 82 113.149 -5.253 -9.542 661 2HB ASP 82 HB1 ASP 82 113.019 -6.963 -9.160 662 H PHE 83 HN PHE 83 109.080 -5.990 -9.177 663 HA PHE 83 HA PHE 83 107.930 -7.850 -7.530 664 1HB PHE 83 HB2 PHE 83 106.693 -6.408 -9.122 665 2HB PHE 83 HB1 PHE 83 107.261 -7.409 -10.450 666 HD1 PHE 83 HD1 PHE 83 106.389 -9.719 -10.720 667 HD2 PHE 83 HD2 PHE 83 104.908 -7.108 -7.710 668 HE1 PHE 83 HE1 PHE 83 104.429 -11.176 -10.425 669 HE2 PHE 83 HE2 PHE 83 102.948 -8.559 -7.412 670 HZ PHE 83 HZ PHE 83 102.707 -10.598 -8.767 671 H HIS 84 HN HIS 84 109.523 -8.510 -10.655 672 HA HIS 84 HA HIS 84 108.916 -11.279 -10.530 673 1HB HIS 84 HB2 HIS 84 109.260 -10.303 -12.706 674 2HB HIS 84 HB1 HIS 84 110.881 -9.784 -12.272 675 HD1 HIS 84 HD1 HIS 84 109.027 -13.167 -12.550 676 HD2 HIS 84 HD2 HIS 84 112.773 -11.467 -13.228 677 HE1 HIS 84 HE1 HIS 84 110.400 -14.957 -13.563 678 HE2 HIS 84 HE2 HIS 84 112.462 -13.781 -14.326 679 H THR 85 HN THR 85 111.649 -9.387 -9.456 680 HA THR 85 HA THR 85 113.288 -11.614 -8.902 681 HB THR 85 HB THR 85 113.261 -8.858 -7.640 682 HG1 THR 85 HG1 THR 85 114.550 -10.044 -9.862 683 1HG2 THR 85 HG21 THR 85 115.404 -11.016 -7.618 684 2HG2 THR 85 HG22 THR 85 114.504 -10.441 -6.207 685 3HG2 THR 85 HG23 THR 85 115.618 -9.378 -7.023 686 H LYS 86 HN LYS 86 111.055 -9.724 -6.916 687 HA LYS 86 HA LYS 86 111.146 -11.151 -4.517 688 1HB LYS 86 HB2 LYS 86 108.678 -9.956 -5.823 689 2HB LYS 86 HB1 LYS 86 108.826 -10.422 -4.136 690 1HG LYS 86 HG2 LYS 86 110.473 -8.713 -3.758 691 2HG LYS 86 HG1 LYS 86 110.464 -8.292 -5.468 692 1HD LYS 86 HD2 LYS 86 109.150 -6.702 -4.175 693 2HD LYS 86 HD1 LYS 86 108.118 -7.606 -5.281 694 1HE LYS 86 HE2 LYS 86 107.419 -9.052 -3.441 695 2HE LYS 86 HE1 LYS 86 108.470 -8.165 -2.337 696 1HZ LYS 86 HZ1 LYS 86 106.126 -7.487 -2.255 697 2HZ LYS 86 HZ2 LYS 86 106.208 -6.951 -3.843 698 3HZ LYS 86 HZ3 LYS 86 107.156 -6.206 -2.634 699 H GLU 87 HN GLU 87 109.151 -11.673 -7.358 700 HA GLU 87 HA GLU 87 107.676 -13.892 -6.690 701 1HB GLU 87 HB2 GLU 87 107.311 -12.655 -8.702 702 2HB GLU 87 HB1 GLU 87 108.910 -13.054 -9.299 703 1HG GLU 87 HG2 GLU 87 108.247 -15.382 -9.469 704 2HG GLU 87 HG1 GLU 87 106.613 -14.955 -8.925 705 H VAL 88 HN VAL 88 110.855 -13.878 -8.309 706 HA VAL 88 HA VAL 88 111.170 -16.650 -8.367 707 HB VAL 88 HB VAL 88 113.338 -14.519 -8.286 708 1HG1 VAL 88 HG11 VAL 88 113.516 -17.425 -9.097 709 2HG1 VAL 88 HG12 VAL 88 114.238 -16.711 -7.655 710 3HG1 VAL 88 HG13 VAL 88 114.810 -16.236 -9.255 711 1HG2 VAL 88 HG21 VAL 88 113.397 -14.830 -10.717 712 2HG2 VAL 88 HG22 VAL 88 111.795 -14.313 -10.169 713 3HG2 VAL 88 HG23 VAL 88 112.078 -15.995 -10.593 714 H ILE 89 HN ILE 89 112.157 -14.298 -5.930 715 HA ILE 89 HA ILE 89 113.477 -16.101 -4.213 716 HB ILE 89 HB ILE 89 111.982 -13.592 -3.435 717 1HG1 ILE 89 HG12 ILE 89 114.890 -13.978 -4.144 718 2HG1 ILE 89 HG11 ILE 89 113.680 -13.229 -5.183 719 1HG2 ILE 89 HG21 ILE 89 114.215 -15.039 -1.976 720 2HG2 ILE 89 HG22 ILE 89 112.506 -15.068 -1.533 721 3HG2 ILE 89 HG23 ILE 89 113.390 -13.556 -1.463 722 1HD1 ILE 89 HD11 ILE 89 113.325 -11.569 -3.332 723 2HD1 ILE 89 HD12 ILE 89 114.866 -11.480 -4.189 724 3HD1 ILE 89 HD13 ILE 89 114.781 -12.229 -2.591 725 H THR 90 HN THR 90 110.085 -14.986 -4.236 726 HA THR 90 HA THR 90 109.254 -16.323 -1.939 727 HB THR 90 HB THR 90 106.930 -16.179 -2.811 728 HG1 THR 90 HG1 THR 90 108.295 -15.652 -5.226 729 1HG2 THR 90 HG21 THR 90 106.834 -13.746 -3.115 730 2HG2 THR 90 HG22 THR 90 108.584 -13.717 -3.354 731 3HG2 THR 90 HG23 THR 90 107.919 -14.190 -1.796 732 H ASN 91 HN ASN 91 109.822 -17.557 -5.098 733 HA ASN 91 HA ASN 91 108.638 -20.125 -4.445 734 1HB ASN 91 HB2 ASN 91 110.097 -19.184 -6.930 735 2HB ASN 91 HB1 ASN 91 109.306 -20.745 -6.750 736 1HD2 ASN 91 HD21 ASN 91 108.826 -18.458 -8.587 737 2HD2 ASN 91 HD22 ASN 91 107.159 -18.044 -8.395 738 H SER 92 HN SER 92 111.824 -18.716 -5.058 739 HA SER 92 HA SER 92 113.305 -21.130 -4.640 740 1HB SER 92 HB2 SER 92 114.026 -19.326 -6.179 741 2HB SER 92 HB1 SER 92 114.166 -18.220 -4.824 742 HG SER 92 HG SER 92 115.660 -20.550 -4.565 743 H ILE 93 HN ILE 93 111.613 -19.566 -2.439 744 HA ILE 93 HA ILE 93 113.706 -19.515 -0.383 745 HB ILE 93 HB ILE 93 112.115 -17.531 -0.740 746 1HG1 ILE 93 HG12 ILE 93 111.887 -17.134 1.714 747 2HG1 ILE 93 HG11 ILE 93 112.426 -18.791 1.982 748 1HG2 ILE 93 HG21 ILE 93 109.920 -17.602 0.243 749 2HG2 ILE 93 HG22 ILE 93 110.210 -19.244 0.823 750 3HG2 ILE 93 HG23 ILE 93 110.072 -18.956 -0.903 751 1HD1 ILE 93 HD11 ILE 93 113.971 -16.574 0.661 752 2HD1 ILE 93 HD12 ILE 93 114.529 -18.244 0.788 753 3HD1 ILE 93 HD13 ILE 93 114.295 -17.287 2.241 754 H THR 94 HN THR 94 110.935 -21.269 -1.395 755 HA THR 94 HA THR 94 110.378 -22.511 1.095 756 HB THR 94 HB THR 94 108.661 -22.428 -0.664 757 HG1 THR 94 HG1 THR 94 107.798 -24.293 -0.263 758 1HG2 THR 94 HG21 THR 94 108.765 -23.883 -2.636 759 2HG2 THR 94 HG22 THR 94 110.388 -24.398 -2.156 760 3HG2 THR 94 HG23 THR 94 110.090 -22.712 -2.595 761 H GLN 95 HN GLN 95 112.542 -23.271 -1.537 762 HA GLN 95 HA GLN 95 113.962 -25.065 0.247 763 1HB GLN 95 HB2 GLN 95 113.663 -25.485 -2.757 764 2HB GLN 95 HB1 GLN 95 114.670 -26.441 -1.691 765 1HG GLN 95 HG2 GLN 95 111.664 -26.326 -1.708 766 2HG GLN 95 HG1 GLN 95 112.672 -27.637 -2.309 767 1HE2 GLN 95 HE21 GLN 95 114.524 -27.421 0.069 768 2HE2 GLN 95 HE22 GLN 95 113.619 -28.135 1.348 769 HA PRO 96 HA PRO 96 116.075 -21.262 -1.191 770 1HB PRO 96 HB2 PRO 96 117.422 -20.777 1.080 771 2HB PRO 96 HB1 PRO 96 115.721 -20.358 0.869 772 1HG PRO 96 HG2 PRO 96 116.894 -22.771 2.207 773 2HG PRO 96 HG1 PRO 96 115.600 -21.699 2.781 774 1HD PRO 96 HD2 PRO 96 115.019 -24.062 1.584 775 2HD PRO 96 HD1 PRO 96 114.034 -22.610 1.354 776 H THR 97 HN THR 97 118.144 -20.739 -1.695 777 HA THR 97 HA THR 97 120.206 -22.778 -1.384 778 HB THR 97 HB THR 97 120.901 -21.886 -3.725 779 HG1 THR 97 HG1 THR 97 118.098 -21.406 -3.885 780 1HG2 THR 97 HG21 THR 97 119.538 -23.593 -4.864 781 2HG2 THR 97 HG22 THR 97 118.470 -23.663 -3.457 782 3HG2 THR 97 HG23 THR 97 120.146 -24.187 -3.315 783 H LEU 98 HN LEU 98 122.340 -21.729 -1.984 784 HA LEU 98 HA LEU 98 122.863 -19.981 0.091 785 1HB LEU 98 HB2 LEU 98 124.344 -21.624 -1.298 786 2HB LEU 98 HB1 LEU 98 124.733 -20.169 -2.197 787 HG LEU 98 HG LEU 98 125.455 -19.099 -0.090 788 1HD1 LEU 98 HD11 LEU 98 125.001 -21.860 1.028 789 2HD1 LEU 98 HD12 LEU 98 124.007 -20.474 1.365 790 3HD1 LEU 98 HD13 LEU 98 125.696 -20.497 1.914 791 1HD2 LEU 98 HD21 LEU 98 127.062 -20.212 -1.561 792 2HD2 LEU 98 HD22 LEU 98 126.760 -21.737 -0.727 793 3HD2 LEU 98 HD23 LEU 98 127.519 -20.393 0.134 794 H HIS 99 HN HIS 99 121.912 -19.195 -3.149 795 HA HIS 99 HA HIS 99 122.143 -16.411 -2.351 796 1HB HIS 99 HB2 HIS 99 122.975 -17.490 -5.048 797 2HB HIS 99 HB1 HIS 99 122.641 -15.789 -4.758 798 HD1 HIS 99 HD1 HIS 99 124.367 -14.490 -3.154 799 HD2 HIS 99 HD2 HIS 99 125.419 -18.385 -4.206 800 HE1 HIS 99 HE1 HIS 99 126.695 -14.755 -2.412 801 HE2 HIS 99 HE2 HIS 99 127.294 -17.194 -2.972 802 H SER 100 HN SER 100 119.839 -17.816 -1.965 803 HA SER 100 HA SER 100 117.957 -17.502 -4.011 804 1HB SER 100 HB2 SER 100 117.554 -17.444 -0.975 805 2HB SER 100 HB1 SER 100 116.238 -17.436 -2.136 806 HG SER 100 HG SER 100 116.452 -19.448 -2.344 807 H PHE 101 HN PHE 101 119.655 -15.110 -2.417 808 HA PHE 101 HA PHE 101 117.678 -13.035 -3.120 809 1HB PHE 101 HB2 PHE 101 119.921 -12.780 -1.107 810 2HB PHE 101 HB1 PHE 101 118.602 -11.652 -1.384 811 HD1 PHE 101 HD1 PHE 101 116.263 -12.358 -0.744 812 HD2 PHE 101 HD2 PHE 101 119.726 -14.548 0.397 813 HE1 PHE 101 HE1 PHE 101 114.975 -13.487 1.033 814 HE2 PHE 101 HE2 PHE 101 118.438 -15.671 2.162 815 HZ PHE 101 HZ PHE 101 116.066 -15.138 2.472 816 H ASP 102 HN ASP 102 119.963 -14.378 -4.738 817 HA ASP 102 HA ASP 102 122.049 -12.433 -4.946 818 1HB ASP 102 HB2 ASP 102 122.573 -14.666 -5.673 819 2HB ASP 102 HB1 ASP 102 121.304 -14.616 -6.896 820 H ALA 103 HN ALA 103 119.139 -12.957 -6.856 821 HA ALA 103 HA ALA 103 119.809 -10.958 -8.786 822 1HB ALA 103 HB1 ALA 103 117.092 -12.078 -8.077 823 2HB ALA 103 HB2 ALA 103 118.197 -12.770 -9.266 824 3HB ALA 103 HB3 ALA 103 117.498 -11.171 -9.532 825 H ALA 104 HN ALA 104 118.095 -11.128 -5.817 826 HA ALA 104 HA ALA 104 117.053 -8.504 -5.884 827 1HB ALA 104 HB1 ALA 104 116.016 -10.207 -4.624 828 2HB ALA 104 HB2 ALA 104 116.486 -8.897 -3.535 829 3HB ALA 104 HB3 ALA 104 117.424 -10.408 -3.567 830 H GLN 105 HN GLN 105 120.070 -9.865 -4.876 831 HA GLN 105 HA GLN 105 121.144 -7.743 -3.409 832 1HB GLN 105 HB2 GLN 105 122.199 -10.000 -3.661 833 2HB GLN 105 HB1 GLN 105 122.547 -9.642 -5.334 834 1HG GLN 105 HG2 GLN 105 123.727 -8.097 -3.021 835 2HG GLN 105 HG1 GLN 105 124.482 -9.515 -3.726 836 1HE2 GLN 105 HE21 GLN 105 125.410 -6.750 -3.523 837 2HE2 GLN 105 HE22 GLN 105 125.778 -6.254 -5.133 838 H SER 106 HN SER 106 121.114 -8.381 -6.892 839 HA SER 106 HA SER 106 122.499 -6.037 -7.624 840 1HB SER 106 HB2 SER 106 120.606 -7.732 -9.262 841 2HB SER 106 HB1 SER 106 121.804 -6.599 -9.895 842 HG SER 106 HG SER 106 123.067 -8.215 -8.227 843 H ARG 107 HN ARG 107 119.111 -6.783 -7.102 844 HA ARG 107 HA ARG 107 117.982 -4.471 -8.257 845 1HB ARG 107 HB2 ARG 107 116.981 -6.251 -6.050 846 2HB ARG 107 HB1 ARG 107 116.034 -4.986 -6.810 847 1HG ARG 107 HG2 ARG 107 117.120 -7.461 -8.133 848 2HG ARG 107 HG1 ARG 107 115.439 -7.132 -7.693 849 1HD ARG 107 HD2 ARG 107 115.477 -5.181 -9.199 850 2HD ARG 107 HD1 ARG 107 117.106 -5.629 -9.695 851 HE ARG 107 HE ARG 107 115.133 -7.694 -9.991 852 1HH1 ARG 107 HH11 ARG 107 117.018 -5.174 -11.548 853 2HH1 ARG 107 HH12 ARG 107 116.440 -5.453 -13.127 854 1HH2 ARG 107 HH21 ARG 107 114.310 -8.141 -12.185 855 2HH2 ARG 107 HH22 ARG 107 114.856 -7.173 -13.475 856 H VAL 108 HN VAL 108 118.781 -5.257 -4.905 857 HA VAL 108 HA VAL 108 118.041 -2.691 -3.973 858 HB VAL 108 HB VAL 108 119.664 -4.861 -2.619 859 1HG1 VAL 108 HG11 VAL 108 119.096 -3.736 -0.539 860 2HG1 VAL 108 HG12 VAL 108 118.271 -2.458 -1.445 861 3HG1 VAL 108 HG13 VAL 108 120.027 -2.641 -1.575 862 1HG2 VAL 108 HG21 VAL 108 116.774 -4.095 -2.500 863 2HG2 VAL 108 HG22 VAL 108 117.543 -5.379 -1.551 864 3HG2 VAL 108 HG23 VAL 108 117.448 -5.498 -3.314 865 H TYR 109 HN TYR 109 121.007 -4.073 -5.103 866 HA TYR 109 HA TYR 109 122.763 -2.066 -4.370 867 1HB TYR 109 HB2 TYR 109 123.792 -3.917 -5.340 868 2HB TYR 109 HB1 TYR 109 122.658 -3.996 -6.675 869 HD1 TYR 109 HD1 TYR 109 125.682 -2.393 -5.369 870 HD2 TYR 109 HD2 TYR 109 122.994 -2.597 -8.650 871 HE1 TYR 109 HE1 TYR 109 127.233 -1.074 -6.735 872 HE2 TYR 109 HE2 TYR 109 124.509 -1.296 -10.017 873 HH TYR 109 HH TYR 109 126.267 0.426 -9.501 874 H GLN 110 HN GLN 110 120.791 -2.282 -7.371 875 HA GLN 110 HA GLN 110 121.594 0.324 -8.150 876 1HB GLN 110 HB2 GLN 110 119.846 0.201 -9.898 877 2HB GLN 110 HB1 GLN 110 120.940 -1.168 -9.900 878 1HG GLN 110 HG2 GLN 110 119.340 -2.598 -9.062 879 2HG GLN 110 HG1 GLN 110 118.294 -1.301 -8.511 880 1HE2 GLN 110 HE21 GLN 110 116.523 -2.004 -9.670 881 2HE2 GLN 110 HE22 GLN 110 116.408 -1.949 -11.371 882 H LEU 111 HN LEU 111 118.937 -0.884 -6.264 883 HA LEU 111 HA LEU 111 117.308 1.372 -6.152 884 1HB LEU 111 HB2 LEU 111 118.014 -0.528 -3.918 885 2HB LEU 111 HB1 LEU 111 116.765 0.687 -3.807 886 HG LEU 111 HG LEU 111 116.772 -1.678 -5.669 887 1HD1 LEU 111 HD11 LEU 111 114.970 -2.496 -4.251 888 2HD1 LEU 111 HD12 LEU 111 115.129 -1.077 -3.219 889 3HD1 LEU 111 HD13 LEU 111 116.444 -2.248 -3.307 890 1HD2 LEU 111 HD21 LEU 111 115.644 0.253 -6.648 891 2HD2 LEU 111 HD22 LEU 111 114.685 0.445 -5.181 892 3HD2 LEU 111 HD23 LEU 111 114.480 -0.989 -6.186 893 H MET 112 HN MET 112 120.116 0.548 -4.202 894 HA MET 112 HA MET 112 120.070 3.038 -2.821 895 1HB MET 112 HB2 MET 112 122.189 0.910 -2.997 896 2HB MET 112 HB1 MET 112 122.343 2.360 -2.020 897 1HG MET 112 HG2 MET 112 120.414 1.703 -0.708 898 2HG MET 112 HG1 MET 112 120.197 0.276 -1.721 899 1HE MET 112 HE1 MET 112 121.821 -1.778 -1.743 900 2HE MET 112 HE2 MET 112 123.374 -1.821 -0.903 901 3HE MET 112 HE3 MET 112 123.120 -0.692 -2.239 902 H GLU 113 HN GLU 113 121.547 1.931 -5.753 903 HA GLU 113 HA GLU 113 123.603 3.820 -5.928 904 1HB GLU 113 HB2 GLU 113 123.439 1.797 -7.369 905 2HB GLU 113 HB1 GLU 113 122.108 2.548 -8.236 906 1HG GLU 113 HG2 GLU 113 123.610 4.351 -8.947 907 2HG GLU 113 HG1 GLU 113 124.936 3.567 -8.097 908 H GLN 114 HN GLN 114 120.560 3.958 -7.780 909 HA GLN 114 HA GLN 114 120.961 6.726 -8.520 910 1HB GLN 114 HB2 GLN 114 118.779 6.480 -9.615 911 2HB GLN 114 HB1 GLN 114 119.859 5.146 -10.009 912 1HG GLN 114 HG2 GLN 114 118.737 3.758 -8.329 913 2HG GLN 114 HG1 GLN 114 117.643 5.086 -7.974 914 1HE2 GLN 114 HE21 GLN 114 117.415 5.872 -10.780 915 2HE2 GLN 114 HE22 GLN 114 116.427 4.682 -11.523 916 H ASP 115 HN ASP 115 120.564 6.017 -5.653 917 HA ASP 115 HA ASP 115 118.428 7.930 -5.031 918 1HB ASP 115 HB2 ASP 115 117.412 5.731 -4.967 919 2HB ASP 115 HB1 ASP 115 118.688 5.139 -3.924 920 H SER 116 HN SER 116 120.626 5.703 -3.311 921 HA SER 116 HA SER 116 121.203 7.817 -1.421 922 1HB SER 116 HB2 SER 116 121.826 4.870 -1.322 923 2HB SER 116 HB1 SER 116 122.004 6.021 0.006 924 HG SER 116 HG SER 116 119.461 6.014 -1.088 925 H TYR 117 HN TYR 117 122.808 6.102 -4.050 926 HA TYR 117 HA TYR 117 125.467 6.329 -3.120 927 1HB TYR 117 HB2 TYR 117 125.044 4.737 -4.786 928 2HB TYR 117 HB1 TYR 117 124.242 5.938 -5.813 929 HD1 TYR 117 HD1 TYR 117 125.301 6.165 -7.768 930 HD2 TYR 117 HD2 TYR 117 127.695 5.711 -4.283 931 HE1 TYR 117 HE1 TYR 117 127.310 6.403 -9.136 932 HE2 TYR 117 HE2 TYR 117 129.731 5.965 -5.664 933 HH TYR 117 HH TYR 117 129.548 7.103 -8.849 934 H THR 118 HN THR 118 123.771 8.328 -5.502 935 HA THR 118 HA THR 118 125.818 10.226 -5.713 936 HB THR 118 HB THR 118 124.224 10.196 -7.446 937 HG1 THR 118 HG1 THR 118 123.560 12.333 -7.587 938 1HG2 THR 118 HG21 THR 118 122.043 10.664 -5.394 939 2HG2 THR 118 HG22 THR 118 122.371 9.164 -6.264 940 3HG2 THR 118 HG23 THR 118 121.796 10.578 -7.148 941 H ARG 119 HN ARG 119 123.177 9.930 -3.507 942 HA ARG 119 HA ARG 119 123.280 12.378 -2.130 943 1HB ARG 119 HB2 ARG 119 121.457 10.715 -2.139 944 2HB ARG 119 HB1 ARG 119 122.485 9.580 -1.306 945 1HG ARG 119 HG2 ARG 119 122.369 10.912 0.699 946 2HG ARG 119 HG1 ARG 119 121.443 12.162 -0.157 947 1HD ARG 119 HD2 ARG 119 119.668 10.618 -0.626 948 2HD ARG 119 HD1 ARG 119 120.592 9.282 0.039 949 HE ARG 119 HE ARG 119 120.276 10.303 2.230 950 1HH1 ARG 119 HH11 ARG 119 118.147 11.475 -0.372 951 2HH1 ARG 119 HH12 ARG 119 116.792 11.671 0.642 952 1HH2 ARG 119 HH21 ARG 119 118.461 10.560 3.572 953 2HH2 ARG 119 HH22 ARG 119 116.972 11.186 2.985 954 H PHE 120 HN PHE 120 124.801 9.214 -1.535 955 HA PHE 120 HA PHE 120 126.421 9.861 0.628 956 1HB PHE 120 HB2 PHE 120 126.168 7.569 0.126 957 2HB PHE 120 HB1 PHE 120 126.621 7.797 -1.554 958 HD1 PHE 120 HD1 PHE 120 127.993 7.765 1.920 959 HD2 PHE 120 HD2 PHE 120 128.813 7.503 -2.248 960 HE1 PHE 120 HE1 PHE 120 130.334 7.042 2.401 961 HE2 PHE 120 HE2 PHE 120 131.108 6.804 -1.759 962 HZ PHE 120 HZ PHE 120 131.857 6.577 0.565 963 H LEU 121 HN LEU 121 127.043 10.109 -2.847 964 HA LEU 121 HA LEU 121 129.716 10.891 -2.602 965 1HB LEU 121 HB2 LEU 121 127.777 11.537 -4.811 966 2HB LEU 121 HB1 LEU 121 129.507 11.810 -4.895 967 HG LEU 121 HG LEU 121 128.104 9.148 -4.712 968 1HD1 LEU 121 HD11 LEU 121 128.018 10.166 -6.908 969 2HD1 LEU 121 HD12 LEU 121 129.087 8.765 -6.906 970 3HD1 LEU 121 HD13 LEU 121 129.768 10.393 -6.886 971 1HD2 LEU 121 HD21 LEU 121 130.341 8.141 -4.875 972 2HD2 LEU 121 HD22 LEU 121 130.169 9.105 -3.402 973 3HD2 LEU 121 HD23 LEU 121 131.061 9.750 -4.767 974 H LYS 122 HN LYS 122 126.838 12.742 -2.152 975 HA LYS 122 HA LYS 122 128.540 15.090 -1.793 976 1HB LYS 122 HB2 LYS 122 125.730 14.844 -2.670 977 2HB LYS 122 HB1 LYS 122 126.081 16.190 -1.592 978 1HG LYS 122 HG2 LYS 122 126.253 16.879 -3.913 979 2HG LYS 122 HG1 LYS 122 127.822 16.971 -3.118 980 1HD LYS 122 HD2 LYS 122 128.303 14.693 -4.112 981 2HD LYS 122 HD1 LYS 122 126.842 14.911 -5.078 982 1HE LYS 122 HE2 LYS 122 129.236 16.728 -5.039 983 2HE LYS 122 HE1 LYS 122 128.873 15.557 -6.303 984 1HZ LYS 122 HZ1 LYS 122 127.350 18.030 -5.636 985 2HZ LYS 122 HZ2 LYS 122 126.743 16.822 -6.638 986 3HZ LYS 122 HZ3 LYS 122 128.100 17.659 -7.099 987 H SER 123 HN SER 123 127.540 12.702 0.173 988 HA SER 123 HA SER 123 126.662 14.235 2.388 989 1HB SER 123 HB2 SER 123 127.149 12.229 3.702 990 2HB SER 123 HB1 SER 123 126.350 11.760 2.203 991 HG SER 123 HG SER 123 128.355 11.155 1.365 992 H ASP 124 HN ASP 124 127.958 14.694 4.316 993 HA ASP 124 HA ASP 124 130.463 15.897 3.779 994 1HB ASP 124 HB2 ASP 124 129.198 16.697 5.679 995 2HB ASP 124 HB1 ASP 124 129.150 15.090 6.392 996 H ILE 125 HN ILE 125 129.437 12.848 4.964 997 HA ILE 125 HA ILE 125 131.735 11.607 5.736 998 HB ILE 125 HB ILE 125 129.172 10.740 4.544 999 1HG1 ILE 125 HG12 ILE 125 130.604 9.982 7.092 1000 2HG1 ILE 125 HG11 ILE 125 129.366 11.217 6.925 1001 1HG2 ILE 125 HG21 ILE 125 129.741 8.336 4.623 1002 2HG2 ILE 125 HG22 ILE 125 131.460 8.792 4.689 1003 3HG2 ILE 125 HG23 ILE 125 130.440 9.292 3.326 1004 1HD1 ILE 125 HD11 ILE 125 128.479 9.188 7.913 1005 2HD1 ILE 125 HD12 ILE 125 128.990 8.259 6.504 1006 3HD1 ILE 125 HD13 ILE 125 127.737 9.491 6.343 1007 H TYR 126 HN TYR 126 130.483 11.473 2.362 1008 HA TYR 126 HA TYR 126 132.937 10.286 1.508 1009 1HB TYR 126 HB2 TYR 126 130.899 9.760 0.290 1010 2HB TYR 126 HB1 TYR 126 130.714 11.443 -0.181 1011 HD1 TYR 126 HD1 TYR 126 131.594 12.163 -2.212 1012 HD2 TYR 126 HD2 TYR 126 133.074 8.572 -0.498 1013 HE1 TYR 126 HE1 TYR 126 132.927 11.772 -4.215 1014 HE2 TYR 126 HE2 TYR 126 134.406 8.148 -2.518 1015 HH TYR 126 HH TYR 126 134.618 8.762 -4.697 1016 H LEU 127 HN LEU 127 131.684 13.545 1.496 1017 HA LEU 127 HA LEU 127 133.769 14.595 -0.102 1018 1HB LEU 127 HB2 LEU 127 131.916 15.947 1.862 1019 2HB LEU 127 HB1 LEU 127 133.033 16.829 0.836 1020 HG LEU 127 HG LEU 127 130.720 15.111 -0.065 1021 1HD1 LEU 127 HD11 LEU 127 131.093 18.099 -0.135 1022 2HD1 LEU 127 HD12 LEU 127 130.023 17.209 0.951 1023 3HD1 LEU 127 HD13 LEU 127 129.722 17.198 -0.788 1024 1HD2 LEU 127 HD21 LEU 127 132.623 16.796 -1.695 1025 2HD2 LEU 127 HD22 LEU 127 131.201 15.944 -2.305 1026 3HD2 LEU 127 HD23 LEU 127 132.567 15.033 -1.663 1027 H ASP 128 HN ASP 128 133.615 13.690 3.194 1028 HA ASP 128 HA ASP 128 135.930 15.164 4.022 1029 1HB ASP 128 HB2 ASP 128 134.093 14.417 5.576 1030 2HB ASP 128 HB1 ASP 128 134.657 12.767 5.360 1031 H LEU 129 HN LEU 129 135.209 11.973 2.765 1032 HA LEU 129 HA LEU 129 137.842 10.884 3.029 1033 1HB LEU 129 HB2 LEU 129 136.039 10.118 0.676 1034 2HB LEU 129 HB1 LEU 129 137.234 9.228 1.510 1035 HG LEU 129 HG LEU 129 134.703 9.935 2.947 1036 1HD1 LEU 129 HD11 LEU 129 134.108 8.737 0.917 1037 2HD1 LEU 129 HD12 LEU 129 133.893 7.719 2.341 1038 3HD1 LEU 129 HD13 LEU 129 135.294 7.489 1.296 1039 1HD2 LEU 129 HD21 LEU 129 135.309 7.922 4.228 1040 2HD2 LEU 129 HD22 LEU 129 136.523 9.200 4.364 1041 3HD2 LEU 129 HD23 LEU 129 136.809 7.808 3.312 1042 H MET 130 HN MET 130 136.202 12.927 0.779 1043 HA MET 130 HA MET 130 138.082 12.957 -1.327 1044 1HB MET 130 HB2 MET 130 136.061 15.065 -0.555 1045 2HB MET 130 HB1 MET 130 137.036 15.129 -2.005 1046 1HG MET 130 HG2 MET 130 134.943 13.014 -1.384 1047 2HG MET 130 HG1 MET 130 134.749 14.399 -2.443 1048 1HE MET 130 HE1 MET 130 136.164 10.748 -2.058 1049 2HE MET 130 HE2 MET 130 137.608 11.749 -1.906 1050 3HE MET 130 HE3 MET 130 137.408 10.726 -3.322 1051 H GLU 131 HN GLU 131 137.599 15.171 1.378 1052 HA GLU 131 HA GLU 131 138.720 16.962 2.090 1053 1HB GLU 131 HB2 GLU 131 141.037 16.467 2.935 1054 2HB GLU 131 HB1 GLU 131 139.811 15.317 3.431 1055 1HG GLU 131 HG2 GLU 131 140.618 13.687 1.884 1056 2HG GLU 131 HG1 GLU 131 141.698 14.857 1.132 1057 H GLY 132 HN GLY 132 138.329 17.893 -0.076 1058 1HA GLY 132 HA2 GLY 132 140.614 18.217 -1.775 1059 2HA GLY 132 HA1 GLY 132 139.055 19.020 -1.942 1060 H ARG 133 HN ARG 133 138.668 20.433 0.155 1061 HA ARG 133 HA ARG 133 141.086 21.938 0.659 1062 1HB ARG 133 HB2 ARG 133 139.673 24.081 0.420 1063 2HB ARG 133 HB1 ARG 133 140.258 23.293 -1.025 1064 1HG ARG 133 HG2 ARG 133 138.042 24.046 -1.445 1065 2HG ARG 133 HG1 ARG 133 137.981 22.295 -1.314 1066 1HD ARG 133 HD2 ARG 133 137.093 22.507 0.961 1067 2HD ARG 133 HD1 ARG 133 137.188 24.264 0.840 1068 HE ARG 133 HE ARG 133 135.674 23.809 -1.222 1069 1HH1 ARG 133 HH11 ARG 133 135.402 22.359 2.018 1070 2HH1 ARG 133 HH12 ARG 133 133.762 21.982 1.878 1071 1HH2 ARG 133 HH21 ARG 133 133.349 23.283 -1.412 1072 2HH2 ARG 133 HH22 ARG 133 132.571 22.504 -0.128 1073 HA PRO 134 HA PRO 134 139.388 22.026 4.761 1074 1HB PRO 134 HB2 PRO 134 141.617 22.852 6.013 1075 2HB PRO 134 HB1 PRO 134 141.474 21.211 5.378 1076 1HG PRO 134 HG2 PRO 134 143.019 23.514 4.328 1077 2HG PRO 134 HG1 PRO 134 143.348 21.780 4.194 1078 1HD PRO 134 HD2 PRO 134 142.177 23.461 2.232 1079 2HD PRO 134 HD1 PRO 134 142.321 21.694 2.175 Start of MODEL 6 1 1H SER 1 HT1 SER 1 136.710 2.252 7.680 2 2H SER 1 HT2 SER 1 138.341 2.331 8.078 3 3H SER 1 HT3 SER 1 137.890 2.267 6.460 4 HA SER 1 HA SER 1 136.720 4.456 6.842 5 1HB SER 1 HB2 SER 1 138.305 4.411 9.410 6 2HB SER 1 HB1 SER 1 137.115 5.602 8.893 7 HG SER 1 HG SER 1 135.715 3.446 8.888 8 H MET 2 HN MET 2 139.458 3.011 5.992 9 HA MET 2 HA MET 2 141.098 5.426 6.068 10 1HB MET 2 HB2 MET 2 141.950 3.582 7.517 11 2HB MET 2 HB1 MET 2 141.990 2.526 6.123 12 1HG MET 2 HG2 MET 2 143.611 5.051 6.287 13 2HG MET 2 HG1 MET 2 144.183 3.511 6.916 14 1HE MET 2 HE1 MET 2 145.755 5.292 4.799 15 2HE MET 2 HE2 MET 2 146.325 4.047 3.687 16 3HE MET 2 HE3 MET 2 146.354 3.757 5.426 17 H VAL 3 HN VAL 3 140.975 6.300 4.135 18 HA VAL 3 HA VAL 3 141.572 4.709 1.802 19 HB VAL 3 HB VAL 3 139.122 4.467 1.855 20 1HG1 VAL 3 HG11 VAL 3 138.640 6.375 3.316 21 2HG1 VAL 3 HG12 VAL 3 137.626 6.331 1.867 22 3HG1 VAL 3 HG13 VAL 3 138.967 7.464 1.953 23 1HG2 VAL 3 HG21 VAL 3 140.191 4.954 -0.360 24 2HG2 VAL 3 HG22 VAL 3 139.634 6.641 -0.183 25 3HG2 VAL 3 HG23 VAL 3 138.487 5.324 -0.226 26 H SER 4 HN SER 4 142.603 5.925 0.227 27 HA SER 4 HA SER 4 143.339 8.637 0.921 28 1HB SER 4 HB2 SER 4 144.860 8.314 -1.028 29 2HB SER 4 HB1 SER 4 145.054 7.041 0.182 30 HG SER 4 HG SER 4 144.923 6.096 -1.857 31 HA PRO 5 HA PRO 5 140.490 10.473 -2.048 32 1HB PRO 5 HB2 PRO 5 142.155 12.139 -3.510 33 2HB PRO 5 HB1 PRO 5 141.449 12.558 -1.946 34 1HG PRO 5 HG2 PRO 5 144.175 11.523 -2.582 35 2HG PRO 5 HG1 PRO 5 143.690 12.765 -1.412 36 1HD PRO 5 HD2 PRO 5 144.312 10.276 -0.636 37 2HD PRO 5 HD1 PRO 5 143.020 11.199 0.161 38 H GLU 6 HN GLU 6 143.442 9.021 -3.098 39 HA GLU 6 HA GLU 6 142.873 8.784 -5.887 40 1HB GLU 6 HB2 GLU 6 145.066 8.380 -4.280 41 2HB GLU 6 HB1 GLU 6 144.577 6.733 -4.621 42 1HG GLU 6 HG2 GLU 6 145.249 8.841 -6.664 43 2HG GLU 6 HG1 GLU 6 146.290 7.516 -6.163 44 H GLU 7 HN GLU 7 142.660 6.564 -3.106 45 HA GLU 7 HA GLU 7 141.396 4.498 -4.561 46 1HB GLU 7 HB2 GLU 7 142.633 4.020 -2.540 47 2HB GLU 7 HB1 GLU 7 141.615 5.091 -1.602 48 1HG GLU 7 HG2 GLU 7 141.153 2.745 -1.148 49 2HG GLU 7 HG1 GLU 7 139.754 3.566 -1.826 50 H ALA 8 HN ALA 8 140.252 7.234 -2.681 51 HA ALA 8 HA ALA 8 137.555 6.472 -2.725 52 1HB ALA 8 HB1 ALA 8 138.460 8.080 -1.094 53 2HB ALA 8 HB2 ALA 8 137.018 8.703 -1.889 54 3HB ALA 8 HB3 ALA 8 138.614 9.296 -2.367 55 H VAL 9 HN VAL 9 139.369 8.605 -5.050 56 HA VAL 9 HA VAL 9 137.125 9.040 -6.675 57 HB VAL 9 HB VAL 9 138.545 9.455 -8.622 58 1HG1 VAL 9 HG11 VAL 9 139.963 11.254 -7.813 59 2HG1 VAL 9 HG12 VAL 9 139.705 10.681 -6.164 60 3HG1 VAL 9 HG13 VAL 9 138.341 11.264 -7.122 61 1HG2 VAL 9 HG21 VAL 9 140.984 9.222 -8.575 62 2HG2 VAL 9 HG22 VAL 9 140.156 7.669 -8.389 63 3HG2 VAL 9 HG23 VAL 9 140.867 8.463 -6.985 64 H LYS 10 HN LYS 10 139.154 6.223 -6.414 65 HA LYS 10 HA LYS 10 138.155 4.839 -8.622 66 1HB LYS 10 HB2 LYS 10 139.370 3.996 -6.038 67 2HB LYS 10 HB1 LYS 10 138.470 2.772 -6.913 68 1HG LYS 10 HG2 LYS 10 140.939 2.806 -7.325 69 2HG LYS 10 HG1 LYS 10 139.931 2.892 -8.768 70 1HD LYS 10 HD2 LYS 10 140.289 5.295 -8.878 71 2HD LYS 10 HD1 LYS 10 141.256 5.225 -7.404 72 1HE LYS 10 HE2 LYS 10 142.915 3.965 -8.436 73 2HE LYS 10 HE1 LYS 10 141.933 3.664 -9.879 74 1HZ LYS 10 HZ1 LYS 10 141.979 6.090 -10.257 75 2HZ LYS 10 HZ2 LYS 10 143.486 5.371 -10.409 76 3HZ LYS 10 HZ3 LYS 10 143.134 6.270 -9.026 77 H TRP 11 HN TRP 11 136.874 5.154 -5.365 78 HA TRP 11 HA TRP 11 134.650 3.449 -5.586 79 1HB TRP 11 HB2 TRP 11 134.921 5.987 -3.966 80 2HB TRP 11 HB1 TRP 11 133.656 4.789 -3.762 81 HD1 TRP 11 HD1 TRP 11 136.654 2.841 -4.328 82 HE1 TRP 11 HE1 TRP 11 137.724 2.105 -2.179 83 HE3 TRP 11 HE3 TRP 11 134.163 5.965 -1.209 84 HZ2 TRP 11 HZ2 TRP 11 137.486 2.736 0.626 85 HZ3 TRP 11 HZ3 TRP 11 134.607 5.810 1.249 86 HH2 TRP 11 HH2 TRP 11 136.244 4.241 2.112 87 H GLY 12 HN GLY 12 135.225 6.653 -6.715 88 1HA GLY 12 HA2 GLY 12 132.464 7.270 -7.287 89 2HA GLY 12 HA1 GLY 12 133.864 8.243 -7.709 90 H GLU 13 HN GLU 13 134.827 5.409 -8.819 91 HA GLU 13 HA GLU 13 134.053 5.979 -11.536 92 1HB GLU 13 HB2 GLU 13 135.461 3.531 -10.461 93 2HB GLU 13 HB1 GLU 13 135.384 4.042 -12.137 94 1HG GLU 13 HG2 GLU 13 136.742 5.993 -11.602 95 2HG GLU 13 HG1 GLU 13 136.783 5.481 -9.909 96 H SER 14 HN SER 14 133.336 3.612 -9.046 97 HA SER 14 HA SER 14 130.869 2.896 -10.365 98 1HB SER 14 HB2 SER 14 132.992 0.794 -9.862 99 2HB SER 14 HB1 SER 14 131.351 0.493 -10.436 100 HG SER 14 HG SER 14 132.439 2.350 -11.946 101 H PHE 15 HN PHE 15 129.349 2.529 -8.899 102 HA PHE 15 HA PHE 15 129.696 2.814 -6.149 103 1HB PHE 15 HB2 PHE 15 127.576 3.279 -7.213 104 2HB PHE 15 HB1 PHE 15 127.437 1.622 -7.776 105 HD1 PHE 15 HD1 PHE 15 125.827 0.427 -6.707 106 HD2 PHE 15 HD2 PHE 15 128.005 3.312 -4.498 107 HE1 PHE 15 HE1 PHE 15 124.540 -0.144 -4.697 108 HE2 PHE 15 HE2 PHE 15 126.720 2.750 -2.487 109 HZ PHE 15 HZ PHE 15 124.984 1.020 -2.583 110 H ASP 16 HN ASP 16 129.709 0.001 -8.183 111 HA ASP 16 HA ASP 16 129.390 -1.978 -6.219 112 1HB ASP 16 HB2 ASP 16 129.166 -2.435 -8.599 113 2HB ASP 16 HB1 ASP 16 130.883 -2.137 -8.831 114 H LYS 17 HN LYS 17 132.345 -0.340 -7.370 115 HA LYS 17 HA LYS 17 133.905 -2.139 -5.743 116 1HB LYS 17 HB2 LYS 17 135.919 -0.926 -6.397 117 2HB LYS 17 HB1 LYS 17 134.958 -1.322 -7.807 118 1HG LYS 17 HG2 LYS 17 134.209 0.950 -7.983 119 2HG LYS 17 HG1 LYS 17 135.010 1.363 -6.465 120 1HD LYS 17 HD2 LYS 17 136.400 2.103 -8.276 121 2HD LYS 17 HD1 LYS 17 137.176 0.734 -7.489 122 1HE LYS 17 HE2 LYS 17 136.373 -0.737 -9.266 123 2HE LYS 17 HE1 LYS 17 135.584 0.635 -10.047 124 1HZ LYS 17 HZ1 LYS 17 137.760 1.671 -10.337 125 2HZ LYS 17 HZ2 LYS 17 137.746 0.120 -11.038 126 3HZ LYS 17 HZ3 LYS 17 138.494 0.369 -9.551 127 H LEU 18 HN LEU 18 132.511 0.976 -5.405 128 HA LEU 18 HA LEU 18 133.681 1.849 -2.999 129 1HB LEU 18 HB2 LEU 18 132.150 3.325 -4.052 130 2HB LEU 18 HB1 LEU 18 130.911 2.089 -4.166 131 HG LEU 18 HG LEU 18 130.755 2.171 -1.643 132 1HD1 LEU 18 HD11 LEU 18 131.504 4.193 -0.529 133 2HD1 LEU 18 HD12 LEU 18 132.330 4.684 -2.008 134 3HD1 LEU 18 HD13 LEU 18 132.836 3.227 -1.156 135 1HD2 LEU 18 HD21 LEU 18 129.096 3.200 -3.103 136 2HD2 LEU 18 HD22 LEU 18 130.017 4.713 -3.075 137 3HD2 LEU 18 HD23 LEU 18 129.316 4.059 -1.585 138 H LEU 19 HN LEU 19 130.974 -0.207 -3.699 139 HA LEU 19 HA LEU 19 130.186 -0.615 -1.031 140 1HB LEU 19 HB2 LEU 19 128.898 -0.531 -3.226 141 2HB LEU 19 HB1 LEU 19 129.359 -2.210 -3.389 142 HG LEU 19 HG LEU 19 128.176 -2.736 -1.320 143 1HD1 LEU 19 HD11 LEU 19 126.841 -0.984 -0.182 144 2HD1 LEU 19 HD12 LEU 19 127.341 0.180 -1.403 145 3HD1 LEU 19 HD13 LEU 19 128.526 -0.462 -0.286 146 1HD2 LEU 19 HD21 LEU 19 125.950 -2.397 -2.261 147 2HD2 LEU 19 HD22 LEU 19 127.109 -2.807 -3.542 148 3HD2 LEU 19 HD23 LEU 19 126.593 -1.145 -3.327 149 H SER 20 HN SER 20 132.176 -2.443 -3.304 150 HA SER 20 HA SER 20 132.179 -4.747 -1.596 151 1HB SER 20 HB2 SER 20 133.965 -5.554 -3.234 152 2HB SER 20 HB1 SER 20 132.370 -5.231 -3.916 153 HG SER 20 HG SER 20 133.110 -3.610 -4.978 154 H HIS 21 HN HIS 21 133.747 -1.813 -1.607 155 HA HIS 21 HA HIS 21 136.233 -2.714 -0.385 156 1HB HIS 21 HB2 HIS 21 135.719 -0.474 -1.864 157 2HB HIS 21 HB1 HIS 21 135.323 0.130 -0.268 158 HD1 HIS 21 HD1 HIS 21 137.338 0.750 1.276 159 HD2 HIS 21 HD2 HIS 21 138.386 -1.164 -2.255 160 HE1 HIS 21 HE1 HIS 21 139.797 1.029 1.066 161 HE2 HIS 21 HE2 HIS 21 140.367 -0.059 -1.186 162 H ARG 22 HN ARG 22 136.306 -3.059 1.771 163 HA ARG 22 HA ARG 22 134.065 -3.005 3.464 164 1HB ARG 22 HB2 ARG 22 136.933 -2.666 4.385 165 2HB ARG 22 HB1 ARG 22 135.582 -3.174 5.382 166 1HG ARG 22 HG2 ARG 22 135.369 -5.199 3.957 167 2HG ARG 22 HG1 ARG 22 136.826 -4.691 3.102 168 1HD ARG 22 HD2 ARG 22 136.595 -5.363 6.039 169 2HD ARG 22 HD1 ARG 22 137.397 -6.327 4.802 170 HE ARG 22 HE ARG 22 138.415 -3.627 5.153 171 1HH1 ARG 22 HH11 ARG 22 138.788 -6.999 6.242 172 2HH1 ARG 22 HH12 ARG 22 140.419 -6.801 6.668 173 1HH2 ARG 22 HH21 ARG 22 140.578 -3.377 5.762 174 2HH2 ARG 22 HH22 ARG 22 141.497 -4.698 6.336 175 H ASP 23 HN ASP 23 136.606 -0.584 3.239 176 HA ASP 23 HA ASP 23 135.591 1.285 5.067 177 1HB ASP 23 HB2 ASP 23 137.141 1.924 2.563 178 2HB ASP 23 HB1 ASP 23 137.014 2.911 4.011 179 H GLY 24 HN GLY 24 134.684 0.636 1.758 180 1HA GLY 24 HA2 GLY 24 133.455 3.250 1.425 181 2HA GLY 24 HA1 GLY 24 133.511 1.979 0.222 182 H LEU 25 HN LEU 25 132.513 -0.111 1.536 183 HA LEU 25 HA LEU 25 129.789 0.180 1.560 184 1HB LEU 25 HB2 LEU 25 130.355 -2.024 1.474 185 2HB LEU 25 HB1 LEU 25 131.774 -1.805 2.458 186 HG LEU 25 HG LEU 25 129.111 -1.825 3.843 187 1HD1 LEU 25 HD11 LEU 25 130.598 -4.271 2.841 188 2HD1 LEU 25 HD12 LEU 25 129.030 -3.723 2.250 189 3HD1 LEU 25 HD13 LEU 25 129.199 -4.277 3.916 190 1HD2 LEU 25 HD21 LEU 25 130.485 -2.974 5.554 191 2HD2 LEU 25 HD22 LEU 25 131.204 -1.421 5.112 192 3HD2 LEU 25 HD23 LEU 25 131.869 -2.909 4.460 193 H GLU 26 HN GLU 26 132.090 0.392 4.163 194 HA GLU 26 HA GLU 26 130.348 0.976 6.261 195 1HB GLU 26 HB2 GLU 26 132.527 0.151 6.545 196 2HB GLU 26 HB1 GLU 26 133.248 1.543 5.765 197 1HG GLU 26 HG2 GLU 26 132.418 2.960 7.623 198 2HG GLU 26 HG1 GLU 26 131.848 1.494 8.428 199 H ALA 27 HN ALA 27 131.981 3.087 3.895 200 HA ALA 27 HA ALA 27 131.330 5.528 5.242 201 1HB ALA 27 HB1 ALA 27 131.858 6.659 3.067 202 2HB ALA 27 HB2 ALA 27 132.078 5.097 2.292 203 3HB ALA 27 HB3 ALA 27 133.174 5.617 3.557 204 H PHE 28 HN PHE 28 129.812 3.575 2.805 205 HA PHE 28 HA PHE 28 127.615 5.277 2.178 206 1HB PHE 28 HB2 PHE 28 128.568 2.866 1.249 207 2HB PHE 28 HB1 PHE 28 127.203 2.405 2.168 208 HD1 PHE 28 HD1 PHE 28 125.137 2.238 1.254 209 HD2 PHE 28 HD2 PHE 28 127.890 5.051 -0.351 210 HE1 PHE 28 HE1 PHE 28 123.482 2.891 -0.439 211 HE2 PHE 28 HE2 PHE 28 126.240 5.705 -2.048 212 HZ PHE 28 HZ PHE 28 124.033 4.625 -2.092 213 H THR 29 HN THR 29 128.230 2.727 4.414 214 HA THR 29 HA THR 29 125.689 2.390 5.473 215 HB THR 29 HB THR 29 128.407 1.944 6.740 216 HG1 THR 29 HG1 THR 29 127.934 0.715 4.799 217 1HG2 THR 29 HG21 THR 29 127.259 0.376 8.101 218 2HG2 THR 29 HG22 THR 29 125.719 0.935 7.360 219 3HG2 THR 29 HG23 THR 29 126.705 2.049 8.364 220 H ARG 30 HN ARG 30 128.325 4.553 6.405 221 HA ARG 30 HA ARG 30 127.114 5.761 8.630 222 1HB ARG 30 HB2 ARG 30 129.088 6.934 6.654 223 2HB ARG 30 HB1 ARG 30 128.635 7.695 8.172 224 1HG ARG 30 HG2 ARG 30 129.499 5.702 9.367 225 2HG ARG 30 HG1 ARG 30 130.059 5.072 7.817 226 1HD ARG 30 HD2 ARG 30 131.523 6.953 7.534 227 2HD ARG 30 HD1 ARG 30 130.879 7.718 8.987 228 HE ARG 30 HE ARG 30 131.863 5.180 9.635 229 1HH1 ARG 30 HH11 ARG 30 132.886 8.472 8.966 230 2HH1 ARG 30 HH12 ARG 30 134.465 8.329 9.551 231 1HH2 ARG 30 HH21 ARG 30 134.069 4.912 10.587 232 2HH2 ARG 30 HH22 ARG 30 135.147 6.218 10.550 233 H PHE 31 HN PHE 31 126.957 6.529 5.232 234 HA PHE 31 HA PHE 31 125.339 8.832 5.349 235 1HB PHE 31 HB2 PHE 31 126.656 8.128 3.375 236 2HB PHE 31 HB1 PHE 31 125.626 6.721 3.188 237 HD1 PHE 31 HD1 PHE 31 125.966 10.293 2.684 238 HD2 PHE 31 HD2 PHE 31 123.356 6.960 2.318 239 HE1 PHE 31 HE1 PHE 31 124.517 11.591 1.188 240 HE2 PHE 31 HE2 PHE 31 121.901 8.257 0.831 241 HZ PHE 31 HZ PHE 31 122.481 10.572 0.264 242 H LEU 32 HN LEU 32 124.599 5.420 5.006 243 HA LEU 32 HA LEU 32 121.808 5.591 4.758 244 1HB LEU 32 HB2 LEU 32 123.807 3.537 5.082 245 2HB LEU 32 HB1 LEU 32 122.337 3.163 5.957 246 HG LEU 32 HG LEU 32 121.036 3.253 3.928 247 1HD1 LEU 32 HD11 LEU 32 122.217 5.043 2.772 248 2HD1 LEU 32 HD12 LEU 32 122.006 3.600 1.775 249 3HD1 LEU 32 HD13 LEU 32 123.586 3.948 2.494 250 1HD2 LEU 32 HD21 LEU 32 122.121 1.160 4.459 251 2HD2 LEU 32 HD22 LEU 32 123.553 1.649 3.570 252 3HD2 LEU 32 HD23 LEU 32 122.032 1.390 2.716 253 H LYS 33 HN LYS 33 123.829 5.111 7.630 254 HA LYS 33 HA LYS 33 121.866 4.556 9.504 255 1HB LYS 33 HB2 LYS 33 124.505 5.928 9.767 256 2HB LYS 33 HB1 LYS 33 123.441 5.765 11.153 257 1HG LYS 33 HG2 LYS 33 123.526 3.337 10.902 258 2HG LYS 33 HG1 LYS 33 124.608 3.534 9.513 259 1HD LYS 33 HD2 LYS 33 126.253 4.622 10.877 260 2HD LYS 33 HD1 LYS 33 125.163 4.623 12.262 261 1HE LYS 33 HE2 LYS 33 126.933 2.881 12.348 262 2HE LYS 33 HE1 LYS 33 125.287 2.221 12.407 263 1HZ LYS 33 HZ1 LYS 33 125.499 1.554 10.177 264 2HZ LYS 33 HZ2 LYS 33 126.876 1.039 10.995 265 3HZ LYS 33 HZ3 LYS 33 126.966 2.403 10.007 266 H THR 34 HN THR 34 123.054 7.741 8.547 267 HA THR 34 HA THR 34 121.598 9.088 10.531 268 HB THR 34 HB THR 34 123.630 10.058 9.633 269 HG1 THR 34 HG1 THR 34 121.727 11.399 10.306 270 1HG2 THR 34 HG21 THR 34 123.465 9.283 7.335 271 2HG2 THR 34 HG22 THR 34 123.724 11.028 7.384 272 3HG2 THR 34 HG23 THR 34 122.118 10.380 7.048 273 H GLU 35 HN GLU 35 120.576 7.900 7.463 274 HA GLU 35 HA GLU 35 118.126 9.405 7.905 275 1HB GLU 35 HB2 GLU 35 117.620 9.079 5.467 276 2HB GLU 35 HB1 GLU 35 118.951 10.156 5.834 277 1HG GLU 35 HG2 GLU 35 120.517 8.329 5.306 278 2HG GLU 35 HG1 GLU 35 119.136 7.330 4.839 279 H PHE 36 HN PHE 36 119.208 6.790 8.829 280 HA PHE 36 HA PHE 36 118.394 4.815 9.572 281 1HB PHE 36 HB2 PHE 36 115.722 6.115 8.994 282 2HB PHE 36 HB1 PHE 36 115.968 4.694 10.002 283 HD1 PHE 36 HD1 PHE 36 115.989 8.285 9.849 284 HD2 PHE 36 HD2 PHE 36 117.288 4.934 12.122 285 HE1 PHE 36 HE1 PHE 36 116.336 9.748 11.793 286 HE2 PHE 36 HE2 PHE 36 117.638 6.389 14.071 287 HZ PHE 36 HZ PHE 36 117.164 8.800 13.909 288 H SER 37 HN SER 37 118.997 5.008 6.717 289 HA SER 37 HA SER 37 117.033 3.146 5.607 290 1HB SER 37 HB2 SER 37 118.039 3.882 3.440 291 2HB SER 37 HB1 SER 37 117.222 5.159 4.349 292 HG SER 37 HG SER 37 119.383 5.561 3.443 293 H GLU 38 HN GLU 38 119.435 2.720 7.399 294 HA GLU 38 HA GLU 38 121.521 1.429 5.991 295 1HB GLU 38 HB2 GLU 38 121.753 2.269 8.298 296 2HB GLU 38 HB1 GLU 38 120.588 1.083 8.856 297 1HG GLU 38 HG2 GLU 38 122.153 -0.710 8.235 298 2HG GLU 38 HG1 GLU 38 123.325 0.508 7.736 299 H GLU 39 HN GLU 39 118.405 0.565 6.736 300 HA GLU 39 HA GLU 39 118.004 -2.113 6.943 301 1HB GLU 39 HB2 GLU 39 116.592 -0.424 4.881 302 2HB GLU 39 HB1 GLU 39 115.944 -1.773 5.794 303 1HG GLU 39 HG2 GLU 39 116.793 0.770 7.126 304 2HG GLU 39 HG1 GLU 39 115.206 0.597 6.390 305 H ASN 40 HN ASN 40 118.737 -0.286 3.972 306 HA ASN 40 HA ASN 40 118.361 -2.491 2.213 307 1HB ASN 40 HB2 ASN 40 119.552 0.246 1.849 308 2HB ASN 40 HB1 ASN 40 119.478 -0.920 0.534 309 1HD2 ASN 40 HD21 ASN 40 118.137 1.713 0.932 310 2HD2 ASN 40 HD22 ASN 40 116.460 1.367 0.723 311 H ILE 41 HN ILE 41 121.218 -0.968 3.560 312 HA ILE 41 HA ILE 41 122.922 -2.693 2.142 313 HB ILE 41 HB ILE 41 123.322 -0.380 3.734 314 1HG1 ILE 41 HG12 ILE 41 125.251 -2.081 2.158 315 2HG1 ILE 41 HG11 ILE 41 124.211 -0.824 1.521 316 1HG2 ILE 41 HG21 ILE 41 125.078 -2.617 4.745 317 2HG2 ILE 41 HG22 ILE 41 123.842 -1.757 5.665 318 3HG2 ILE 41 HG23 ILE 41 125.268 -0.892 5.085 319 1HD1 ILE 41 HD11 ILE 41 125.488 0.850 2.759 320 2HD1 ILE 41 HD12 ILE 41 126.500 -0.117 1.677 321 3HD1 ILE 41 HD13 ILE 41 126.517 -0.430 3.418 322 H GLU 42 HN GLU 42 121.482 -2.811 5.352 323 HA GLU 42 HA GLU 42 122.828 -5.249 5.905 324 1HB GLU 42 HB2 GLU 42 120.687 -3.798 7.392 325 2HB GLU 42 HB1 GLU 42 121.245 -5.402 7.882 326 1HG GLU 42 HG2 GLU 42 123.487 -4.599 7.923 327 2HG GLU 42 HG1 GLU 42 123.024 -2.971 7.580 328 H PHE 43 HN PHE 43 120.120 -4.524 4.141 329 HA PHE 43 HA PHE 43 118.707 -6.920 4.191 330 1HB PHE 43 HB2 PHE 43 117.793 -5.033 3.020 331 2HB PHE 43 HB1 PHE 43 119.221 -4.884 2.014 332 HD1 PHE 43 HD1 PHE 43 119.514 -6.277 0.067 333 HD2 PHE 43 HD2 PHE 43 116.115 -6.691 2.570 334 HE1 PHE 43 HE1 PHE 43 118.404 -7.589 -1.683 335 HE2 PHE 43 HE2 PHE 43 114.999 -7.996 0.838 336 HZ PHE 43 HZ PHE 43 116.139 -8.456 -1.296 337 H TRP 44 HN TRP 44 121.214 -5.889 1.840 338 HA TRP 44 HA TRP 44 121.504 -8.711 1.396 339 1HB TRP 44 HB2 TRP 44 123.159 -8.189 -0.454 340 2HB TRP 44 HB1 TRP 44 121.489 -7.728 -0.694 341 HD1 TRP 44 HD1 TRP 44 121.285 -5.515 -1.841 342 HE1 TRP 44 HE1 TRP 44 122.651 -3.382 -2.005 343 HE3 TRP 44 HE3 TRP 44 125.060 -6.742 1.370 344 HZ2 TRP 44 HZ2 TRP 44 125.021 -2.324 -0.862 345 HZ3 TRP 44 HZ3 TRP 44 126.834 -5.109 1.784 346 HH2 TRP 44 HH2 TRP 44 126.812 -2.945 0.691 347 H ILE 45 HN ILE 45 123.043 -6.569 3.356 348 HA ILE 45 HA ILE 45 125.450 -7.991 3.605 349 HB ILE 45 HB ILE 45 124.112 -5.844 4.958 350 1HG1 ILE 45 HG12 ILE 45 127.024 -6.598 4.862 351 2HG1 ILE 45 HG11 ILE 45 126.159 -5.564 3.734 352 1HG2 ILE 45 HG21 ILE 45 125.629 -7.581 6.923 353 2HG2 ILE 45 HG22 ILE 45 123.880 -7.354 6.867 354 3HG2 ILE 45 HG23 ILE 45 124.914 -5.978 7.221 355 1HD1 ILE 45 HD11 ILE 45 125.781 -3.944 5.547 356 2HD1 ILE 45 HD12 ILE 45 127.493 -4.233 5.246 357 3HD1 ILE 45 HD13 ILE 45 126.702 -4.976 6.639 358 H ALA 46 HN ALA 46 122.250 -8.379 5.096 359 HA ALA 46 HA ALA 46 122.909 -10.625 6.672 360 1HB ALA 46 HB1 ALA 46 120.786 -9.452 7.016 361 2HB ALA 46 HB2 ALA 46 120.482 -11.149 6.561 362 3HB ALA 46 HB3 ALA 46 120.273 -9.884 5.380 363 H CYS 47 HN CYS 47 121.834 -10.207 3.380 364 HA CYS 47 HA CYS 47 121.409 -12.829 2.601 365 1HB CYS 47 HB2 CYS 47 120.757 -11.056 1.146 366 2HB CYS 47 HB1 CYS 47 122.404 -10.453 1.038 367 HG CYS 47 HG CYS 47 122.113 -11.462 -1.403 368 H GLU 48 HN GLU 48 124.468 -11.005 2.161 369 HA GLU 48 HA GLU 48 125.657 -13.473 1.411 370 1HB GLU 48 HB2 GLU 48 126.992 -10.778 1.754 371 2HB GLU 48 HB1 GLU 48 127.760 -12.222 1.088 372 1HG GLU 48 HG2 GLU 48 126.009 -12.286 -0.670 373 2HG GLU 48 HG1 GLU 48 125.401 -10.751 -0.066 374 H ASP 49 HN ASP 49 125.300 -11.815 4.364 375 HA ASP 49 HA ASP 49 127.269 -13.151 5.888 376 1HB ASP 49 HB2 ASP 49 126.061 -11.339 6.911 377 2HB ASP 49 HB1 ASP 49 124.517 -12.139 6.642 378 H PHE 50 HN PHE 50 124.033 -13.981 4.929 379 HA PHE 50 HA PHE 50 123.913 -16.501 6.193 380 1HB PHE 50 HB2 PHE 50 121.772 -15.916 5.734 381 2HB PHE 50 HB1 PHE 50 122.269 -14.793 4.490 382 HD1 PHE 50 HD1 PHE 50 121.780 -18.447 5.042 383 HD2 PHE 50 HD2 PHE 50 121.641 -15.160 2.368 384 HE1 PHE 50 HE1 PHE 50 120.808 -19.885 3.312 385 HE2 PHE 50 HE2 PHE 50 120.673 -16.598 0.626 386 HZ PHE 50 HZ PHE 50 120.257 -18.964 1.105 387 H LYS 51 HN LYS 51 124.768 -15.388 3.015 388 HA LYS 51 HA LYS 51 125.289 -17.731 1.617 389 1HB LYS 51 HB2 LYS 51 125.200 -15.617 0.540 390 2HB LYS 51 HB1 LYS 51 126.468 -14.967 1.552 391 1HG LYS 51 HG2 LYS 51 128.019 -16.608 0.404 392 2HG LYS 51 HG1 LYS 51 126.701 -16.880 -0.745 393 1HD LYS 51 HD2 LYS 51 126.634 -14.542 -1.307 394 2HD LYS 51 HD1 LYS 51 127.822 -14.170 -0.060 395 1HE LYS 51 HE2 LYS 51 129.450 -15.586 -1.284 396 2HE LYS 51 HE1 LYS 51 128.251 -15.783 -2.562 397 1HZ LYS 51 HZ1 LYS 51 129.762 -14.030 -3.137 398 2HZ LYS 51 HZ2 LYS 51 129.458 -13.220 -1.677 399 3HZ LYS 51 HZ3 LYS 51 128.245 -13.364 -2.830 400 H LYS 52 HN LYS 52 127.207 -16.200 4.148 401 HA LYS 52 HA LYS 52 129.701 -17.420 3.571 402 1HB LYS 52 HB2 LYS 52 128.812 -16.854 6.403 403 2HB LYS 52 HB1 LYS 52 130.458 -16.884 5.758 404 1HG LYS 52 HG2 LYS 52 129.782 -14.857 4.402 405 2HG LYS 52 HG1 LYS 52 128.336 -14.796 5.406 406 1HD LYS 52 HD2 LYS 52 131.210 -14.434 6.223 407 2HD LYS 52 HD1 LYS 52 129.876 -13.305 6.394 408 1HE LYS 52 HE2 LYS 52 130.294 -15.868 7.948 409 2HE LYS 52 HE1 LYS 52 130.512 -14.236 8.551 410 1HZ LYS 52 HZ1 LYS 52 127.941 -15.534 7.796 411 2HZ LYS 52 HZ2 LYS 52 128.054 -13.911 8.297 412 3HZ LYS 52 HZ3 LYS 52 128.486 -15.142 9.323 413 H SER 53 HN SER 53 126.840 -18.701 4.959 414 HA SER 53 HA SER 53 128.203 -21.023 6.010 415 1HB SER 53 HB2 SER 53 125.282 -20.219 5.979 416 2HB SER 53 HB1 SER 53 125.924 -21.664 6.769 417 HG SER 53 HG SER 53 127.288 -20.272 7.958 418 H LYS 54 HN LYS 54 127.675 -23.143 5.234 419 HA LYS 54 HA LYS 54 126.589 -23.117 2.526 420 1HB LYS 54 HB2 LYS 54 128.296 -24.725 1.777 421 2HB LYS 54 HB1 LYS 54 128.988 -23.206 2.278 422 1HG LYS 54 HG2 LYS 54 130.475 -24.861 3.037 423 2HG LYS 54 HG1 LYS 54 129.581 -24.367 4.472 424 1HD LYS 54 HD2 LYS 54 129.883 -26.820 4.326 425 2HD LYS 54 HD1 LYS 54 128.181 -26.349 4.314 426 1HE LYS 54 HE2 LYS 54 128.158 -26.566 1.859 427 2HE LYS 54 HE1 LYS 54 129.845 -27.074 1.899 428 1HZ LYS 54 HZ1 LYS 54 127.674 -28.505 3.314 429 2HZ LYS 54 HZ2 LYS 54 129.235 -29.067 3.043 430 3HZ LYS 54 HZ3 LYS 54 128.147 -28.886 1.754 431 H GLY 55 HN GLY 55 126.117 -24.163 5.494 432 1HA GLY 55 HA2 GLY 55 125.364 -26.897 4.971 433 2HA GLY 55 HA1 GLY 55 125.036 -25.987 6.449 434 HA PRO 56 HA PRO 56 121.767 -25.489 2.825 435 1HB PRO 56 HB2 PRO 56 120.786 -28.270 3.139 436 2HB PRO 56 HB1 PRO 56 121.048 -27.299 1.678 437 1HG PRO 56 HG2 PRO 56 122.715 -29.287 2.341 438 2HG PRO 56 HG1 PRO 56 123.287 -27.794 1.573 439 1HD PRO 56 HD2 PRO 56 123.430 -28.627 4.440 440 2HD PRO 56 HD1 PRO 56 124.641 -27.785 3.451 441 H GLN 57 HN GLN 57 121.491 -27.296 5.812 442 HA GLN 57 HA GLN 57 118.733 -26.712 6.240 443 1HB GLN 57 HB2 GLN 57 120.915 -27.608 8.135 444 2HB GLN 57 HB1 GLN 57 119.285 -27.270 8.680 445 1HG GLN 57 HG2 GLN 57 119.606 -29.653 8.378 446 2HG GLN 57 HG1 GLN 57 118.424 -29.044 7.228 447 1HE2 GLN 57 HE21 GLN 57 121.587 -30.417 7.640 448 2HE2 GLN 57 HE22 GLN 57 121.847 -30.777 5.970 449 H GLN 58 HN GLN 58 121.742 -25.293 7.254 450 HA GLN 58 HA GLN 58 120.804 -23.162 8.835 451 1HB GLN 58 HB2 GLN 58 123.178 -23.944 8.643 452 2HB GLN 58 HB1 GLN 58 123.244 -23.247 7.037 453 1HG GLN 58 HG2 GLN 58 124.335 -21.761 8.489 454 2HG GLN 58 HG1 GLN 58 122.797 -21.014 8.086 455 1HE2 GLN 58 HE21 GLN 58 124.479 -20.454 10.337 456 2HE2 GLN 58 HE22 GLN 58 123.613 -20.853 11.772 457 H ILE 59 HN ILE 59 121.271 -23.597 5.410 458 HA ILE 59 HA ILE 59 120.913 -21.012 4.442 459 HB ILE 59 HB ILE 59 119.977 -23.555 3.090 460 1HG1 ILE 59 HG12 ILE 59 122.261 -23.894 3.621 461 2HG1 ILE 59 HG11 ILE 59 122.192 -23.476 1.911 462 1HG2 ILE 59 HG21 ILE 59 120.715 -20.910 1.887 463 2HG2 ILE 59 HG22 ILE 59 119.100 -21.589 2.025 464 3HG2 ILE 59 HG23 ILE 59 120.297 -22.372 0.990 465 1HD1 ILE 59 HD11 ILE 59 124.045 -22.503 3.099 466 2HD1 ILE 59 HD12 ILE 59 122.905 -21.657 4.160 467 3HD1 ILE 59 HD13 ILE 59 122.971 -21.259 2.425 468 H HIS 60 HN HIS 60 118.521 -23.558 4.929 469 HA HIS 60 HA HIS 60 116.217 -22.204 4.045 470 1HB HIS 60 HB2 HIS 60 116.435 -24.278 6.223 471 2HB HIS 60 HB1 HIS 60 114.908 -23.643 5.639 472 HD1 HIS 60 HD1 HIS 60 114.069 -24.498 3.413 473 HD2 HIS 60 HD2 HIS 60 117.763 -25.966 4.514 474 HE1 HIS 60 HE1 HIS 60 114.455 -26.488 1.909 475 HE2 HIS 60 HE2 HIS 60 116.492 -27.565 2.897 476 H LEU 61 HN LEU 61 117.676 -22.313 7.190 477 HA LEU 61 HA LEU 61 115.731 -20.932 8.660 478 1HB LEU 61 HB2 LEU 61 118.694 -20.943 9.109 479 2HB LEU 61 HB1 LEU 61 117.439 -20.682 10.306 480 HG LEU 61 HG LEU 61 117.877 -23.253 8.819 481 1HD1 LEU 61 HD11 LEU 61 118.620 -22.515 11.628 482 2HD1 LEU 61 HD12 LEU 61 119.685 -22.584 10.227 483 3HD1 LEU 61 HD13 LEU 61 118.905 -24.073 10.798 484 1HD2 LEU 61 HD21 LEU 61 116.146 -22.590 11.197 485 2HD2 LEU 61 HD22 LEU 61 116.360 -24.191 10.459 486 3HD2 LEU 61 HD23 LEU 61 115.589 -22.891 9.548 487 H LYS 62 HN LYS 62 118.901 -19.807 7.699 488 HA LYS 62 HA LYS 62 118.465 -17.101 8.196 489 1HB LYS 62 HB2 LYS 62 120.504 -18.509 6.581 490 2HB LYS 62 HB1 LYS 62 120.326 -16.779 6.350 491 1HG LYS 62 HG2 LYS 62 122.057 -17.168 7.926 492 2HG LYS 62 HG1 LYS 62 120.680 -16.481 8.778 493 1HD LYS 62 HD2 LYS 62 120.048 -18.814 9.416 494 2HD LYS 62 HD1 LYS 62 121.590 -19.322 8.706 495 1HE LYS 62 HE2 LYS 62 121.821 -19.010 11.136 496 2HE LYS 62 HE1 LYS 62 122.791 -17.842 10.233 497 1HZ LYS 62 HZ1 LYS 62 121.149 -16.138 10.650 498 2HZ LYS 62 HZ2 LYS 62 121.490 -16.858 12.144 499 3HZ LYS 62 HZ3 LYS 62 120.098 -17.264 11.308 500 H ALA 63 HN ALA 63 118.169 -18.702 5.013 501 HA ALA 63 HA ALA 63 117.633 -16.345 3.603 502 1HB ALA 63 HB1 ALA 63 116.668 -19.120 2.997 503 2HB ALA 63 HB2 ALA 63 118.188 -18.415 2.421 504 3HB ALA 63 HB3 ALA 63 116.639 -17.776 1.869 505 H LYS 64 HN LYS 64 115.371 -18.688 4.999 506 HA LYS 64 HA LYS 64 113.141 -17.186 4.099 507 1HB LYS 64 HB2 LYS 64 113.215 -19.671 4.612 508 2HB LYS 64 HB1 LYS 64 113.095 -19.190 6.304 509 1HG LYS 64 HG2 LYS 64 110.934 -18.351 6.036 510 2HG LYS 64 HG1 LYS 64 111.084 -18.296 4.275 511 1HD LYS 64 HD2 LYS 64 111.235 -20.762 4.269 512 2HD LYS 64 HD1 LYS 64 110.914 -20.756 6.007 513 1HE LYS 64 HE2 LYS 64 109.118 -19.549 3.928 514 2HE LYS 64 HE1 LYS 64 108.913 -21.178 4.568 515 1HZ LYS 64 HZ1 LYS 64 108.817 -18.683 6.229 516 2HZ LYS 64 HZ2 LYS 64 108.520 -20.279 6.739 517 3HZ LYS 64 HZ3 LYS 64 107.487 -19.551 5.639 518 H ALA 65 HN ALA 65 115.040 -17.092 6.958 519 HA ALA 65 HA ALA 65 113.350 -15.469 8.545 520 1HB ALA 65 HB1 ALA 65 115.398 -14.799 9.734 521 2HB ALA 65 HB2 ALA 65 116.373 -15.535 8.459 522 3HB ALA 65 HB3 ALA 65 115.345 -16.542 9.478 523 H ILE 66 HN ILE 66 115.987 -14.669 6.323 524 HA ILE 66 HA ILE 66 115.720 -11.863 6.391 525 HB ILE 66 HB ILE 66 116.852 -13.692 4.243 526 1HG1 ILE 66 HG12 ILE 66 118.250 -12.061 6.369 527 2HG1 ILE 66 HG11 ILE 66 117.937 -13.790 6.467 528 1HG2 ILE 66 HG21 ILE 66 116.328 -11.592 3.190 529 2HG2 ILE 66 HG22 ILE 66 118.079 -11.702 3.420 530 3HG2 ILE 66 HG23 ILE 66 117.114 -10.693 4.499 531 1HD1 ILE 66 HD11 ILE 66 119.606 -12.475 4.342 532 2HD1 ILE 66 HD12 ILE 66 119.467 -14.215 4.639 533 3HD1 ILE 66 HD13 ILE 66 120.233 -13.146 5.826 534 H TYR 67 HN TYR 67 114.373 -14.321 4.330 535 HA TYR 67 HA TYR 67 112.925 -12.862 2.487 536 1HB TYR 67 HB2 TYR 67 113.143 -15.238 2.320 537 2HB TYR 67 HB1 TYR 67 112.342 -15.473 3.868 538 HD1 TYR 67 HD1 TYR 67 111.779 -14.113 0.497 539 HD2 TYR 67 HD2 TYR 67 110.103 -15.910 3.926 540 HE1 TYR 67 HE1 TYR 67 109.645 -14.239 -0.654 541 HE2 TYR 67 HE2 TYR 67 107.942 -16.104 2.806 542 HH TYR 67 HH TYR 67 106.776 -14.875 0.997 543 H GLU 68 HN GLU 68 111.624 -14.161 5.558 544 HA GLU 68 HA GLU 68 109.218 -12.664 5.251 545 1HB GLU 68 HB2 GLU 68 110.296 -14.332 7.491 546 2HB GLU 68 HB1 GLU 68 108.739 -13.519 7.549 547 1HG GLU 68 HG2 GLU 68 107.956 -14.777 5.653 548 2HG GLU 68 HG1 GLU 68 109.542 -15.506 5.433 549 H LYS 69 HN LYS 69 112.179 -11.751 6.353 550 HA LYS 69 HA LYS 69 111.142 -9.754 8.218 551 1HB LYS 69 HB2 LYS 69 113.129 -11.075 8.820 552 2HB LYS 69 HB1 LYS 69 113.970 -10.441 7.422 553 1HG LYS 69 HG2 LYS 69 113.873 -8.201 8.396 554 2HG LYS 69 HG1 LYS 69 113.046 -8.861 9.815 555 1HD LYS 69 HD2 LYS 69 114.953 -10.314 10.254 556 2HD LYS 69 HD1 LYS 69 115.779 -9.677 8.829 557 1HE LYS 69 HE2 LYS 69 116.680 -8.587 10.743 558 2HE LYS 69 HE1 LYS 69 115.679 -7.424 9.886 559 1HZ LYS 69 HZ1 LYS 69 114.908 -8.921 12.341 560 2HZ LYS 69 HZ2 LYS 69 113.885 -7.892 11.530 561 3HZ LYS 69 HZ3 LYS 69 115.296 -7.280 12.233 562 H PHE 70 HN PHE 70 112.169 -10.054 4.920 563 HA PHE 70 HA PHE 70 112.285 -7.132 4.644 564 1HB PHE 70 HB2 PHE 70 114.310 -9.102 3.577 565 2HB PHE 70 HB1 PHE 70 114.163 -7.459 2.988 566 HD1 PHE 70 HD1 PHE 70 115.555 -9.629 5.484 567 HD2 PHE 70 HD2 PHE 70 114.663 -5.572 4.573 568 HE1 PHE 70 HE1 PHE 70 117.175 -8.895 7.181 569 HE2 PHE 70 HE2 PHE 70 116.278 -4.829 6.274 570 HZ PHE 70 HZ PHE 70 117.539 -6.490 7.577 571 H ILE 71 HN ILE 71 112.525 -10.122 2.788 572 HA ILE 71 HA ILE 71 111.709 -9.080 0.310 573 HB ILE 71 HB ILE 71 111.664 -11.951 1.284 574 1HG1 ILE 71 HG12 ILE 71 113.857 -10.945 1.578 575 2HG1 ILE 71 HG11 ILE 71 113.890 -12.178 0.325 576 1HG2 ILE 71 HG21 ILE 71 111.375 -10.840 -1.470 577 2HG2 ILE 71 HG22 ILE 71 110.571 -12.261 -0.703 578 3HG2 ILE 71 HG23 ILE 71 112.246 -12.333 -1.213 579 1HD1 ILE 71 HD11 ILE 71 113.818 -9.205 -0.107 580 2HD1 ILE 71 HD12 ILE 71 113.828 -10.422 -1.376 581 3HD1 ILE 71 HD13 ILE 71 115.213 -10.261 -0.297 582 H GLN 72 HN GLN 72 109.997 -10.272 2.998 583 HA GLN 72 HA GLN 72 107.613 -11.019 1.640 584 1HB GLN 72 HB2 GLN 72 108.310 -11.949 3.822 585 2HB GLN 72 HB1 GLN 72 108.004 -10.373 4.561 586 1HG GLN 72 HG2 GLN 72 106.208 -12.005 4.950 587 2HG GLN 72 HG1 GLN 72 105.686 -10.554 4.097 588 1HE2 GLN 72 HE21 GLN 72 103.889 -11.690 3.343 589 2HE2 GLN 72 HE22 GLN 72 104.005 -12.799 2.021 590 H THR 73 HN THR 73 105.606 -9.950 1.560 591 HA THR 73 HA THR 73 105.766 -7.162 1.053 592 HB THR 73 HB THR 73 103.386 -7.390 0.485 593 HG1 THR 73 HG1 THR 73 102.387 -8.710 1.776 594 1HG2 THR 73 HG21 THR 73 104.939 -9.816 -0.174 595 2HG2 THR 73 HG22 THR 73 105.128 -8.270 -1.009 596 3HG2 THR 73 HG23 THR 73 103.596 -9.194 -1.150 597 H ASP 74 HN ASP 74 104.310 -9.150 3.412 598 HA ASP 74 HA ASP 74 103.537 -6.889 5.108 599 1HB ASP 74 HB2 ASP 74 102.412 -8.542 6.547 600 2HB ASP 74 HB1 ASP 74 101.916 -8.693 4.867 601 H ALA 75 HN ALA 75 106.324 -7.762 4.606 602 HA ALA 75 HA ALA 75 107.418 -8.832 7.005 603 1HB ALA 75 HB1 ALA 75 108.677 -8.946 4.955 604 2HB ALA 75 HB2 ALA 75 109.544 -7.954 6.159 605 3HB ALA 75 HB3 ALA 75 108.688 -7.178 4.828 606 HA PRO 76 HA PRO 76 107.485 -5.265 9.618 607 1HB PRO 76 HB2 PRO 76 109.957 -5.592 10.789 608 2HB PRO 76 HB1 PRO 76 108.514 -6.489 11.278 609 1HG PRO 76 HG2 PRO 76 110.748 -7.326 9.476 610 2HG PRO 76 HG1 PRO 76 109.906 -8.257 10.730 611 1HD PRO 76 HD2 PRO 76 109.384 -8.561 8.126 612 2HD PRO 76 HD1 PRO 76 108.100 -8.698 9.337 613 H LYS 77 HN LYS 77 110.149 -5.959 7.470 614 HA LYS 77 HA LYS 77 110.996 -3.175 7.573 615 1HB LYS 77 HB2 LYS 77 112.229 -5.558 6.192 616 2HB LYS 77 HB1 LYS 77 112.845 -3.916 6.052 617 1HG LYS 77 HG2 LYS 77 112.632 -5.518 8.593 618 2HG LYS 77 HG1 LYS 77 114.114 -5.172 7.689 619 1HD LYS 77 HD2 LYS 77 113.701 -2.764 8.015 620 2HD LYS 77 HD1 LYS 77 112.294 -3.164 8.994 621 1HE LYS 77 HE2 LYS 77 113.716 -4.288 10.607 622 2HE LYS 77 HE1 LYS 77 115.130 -3.968 9.599 623 1HZ LYS 77 HZ1 LYS 77 114.995 -2.341 11.348 624 2HZ LYS 77 HZ2 LYS 77 113.410 -1.935 10.908 625 3HZ LYS 77 HZ3 LYS 77 114.692 -1.598 9.849 626 H GLU 78 HN GLU 78 110.214 -5.572 5.085 627 HA GLU 78 HA GLU 78 109.122 -5.502 3.161 628 1HB GLU 78 HB2 GLU 78 107.412 -4.289 4.621 629 2HB GLU 78 HB1 GLU 78 108.059 -2.784 4.015 630 1HG GLU 78 HG2 GLU 78 106.827 -4.892 2.263 631 2HG GLU 78 HG1 GLU 78 105.915 -3.587 3.002 632 H VAL 79 HN VAL 79 110.334 -5.284 1.368 633 HA VAL 79 HA VAL 79 112.153 -2.981 1.242 634 HB VAL 79 HB VAL 79 112.445 -5.653 -0.158 635 1HG1 VAL 79 HG11 VAL 79 113.659 -3.874 -1.262 636 2HG1 VAL 79 HG12 VAL 79 114.782 -4.991 -0.470 637 3HG1 VAL 79 HG13 VAL 79 114.423 -3.423 0.263 638 1HG2 VAL 79 HG21 VAL 79 112.531 -5.984 2.213 639 2HG2 VAL 79 HG22 VAL 79 113.736 -4.700 2.385 640 3HG2 VAL 79 HG23 VAL 79 114.126 -6.188 1.507 641 H ASN 80 HN ASN 80 112.413 -1.857 -0.607 642 HA ASN 80 HA ASN 80 110.213 -1.763 -2.499 643 1HB ASN 80 HB2 ASN 80 112.805 -0.196 -2.475 644 2HB ASN 80 HB1 ASN 80 111.324 0.226 -3.333 645 1HD2 ASN 80 HD21 ASN 80 109.517 0.915 -2.110 646 2HD2 ASN 80 HD22 ASN 80 109.788 1.501 -0.496 647 H LEU 81 HN LEU 81 111.551 -4.088 -2.553 648 HA LEU 81 HA LEU 81 113.595 -4.239 -4.567 649 1HB LEU 81 HB2 LEU 81 113.789 -5.606 -2.731 650 2HB LEU 81 HB1 LEU 81 112.133 -6.221 -2.818 651 HG LEU 81 HG LEU 81 112.972 -7.407 -4.961 652 1HD1 LEU 81 HD11 LEU 81 115.306 -7.751 -5.056 653 2HD1 LEU 81 HD12 LEU 81 115.557 -6.560 -3.779 654 3HD1 LEU 81 HD13 LEU 81 114.881 -6.062 -5.350 655 1HD2 LEU 81 HD21 LEU 81 114.036 -9.178 -3.692 656 2HD2 LEU 81 HD22 LEU 81 112.622 -8.566 -2.843 657 3HD2 LEU 81 HD23 LEU 81 114.232 -8.102 -2.312 658 H ASP 82 HN ASP 82 113.334 -5.079 -6.563 659 HA ASP 82 HA ASP 82 111.105 -4.680 -8.066 660 1HB ASP 82 HB2 ASP 82 113.149 -4.966 -9.179 661 2HB ASP 82 HB1 ASP 82 113.424 -6.542 -8.449 662 H PHE 83 HN PHE 83 109.301 -5.599 -8.417 663 HA PHE 83 HA PHE 83 108.166 -7.557 -6.825 664 1HB PHE 83 HB2 PHE 83 106.245 -7.522 -8.325 665 2HB PHE 83 HB1 PHE 83 106.849 -5.893 -8.069 666 HD1 PHE 83 HD1 PHE 83 106.084 -8.449 -10.468 667 HD2 PHE 83 HD2 PHE 83 108.207 -4.810 -9.909 668 HE1 PHE 83 HE1 PHE 83 106.216 -8.155 -12.898 669 HE2 PHE 83 HE2 PHE 83 108.342 -4.513 -12.342 670 HZ PHE 83 HZ PHE 83 107.346 -6.188 -13.840 671 H HIS 84 HN HIS 84 109.801 -7.971 -9.896 672 HA HIS 84 HA HIS 84 108.894 -10.669 -10.221 673 1HB HIS 84 HB2 HIS 84 109.310 -9.394 -12.208 674 2HB HIS 84 HB1 HIS 84 110.940 -9.003 -11.688 675 HD1 HIS 84 HD1 HIS 84 109.090 -12.352 -12.282 676 HD2 HIS 84 HD2 HIS 84 112.672 -10.407 -13.160 677 HE1 HIS 84 HE1 HIS 84 110.408 -13.942 -13.652 678 HE2 HIS 84 HE2 HIS 84 112.650 -12.828 -13.985 679 H THR 85 HN THR 85 111.785 -9.102 -9.094 680 HA THR 85 HA THR 85 113.329 -11.399 -8.672 681 HB THR 85 HB THR 85 113.329 -8.778 -7.163 682 HG1 THR 85 HG1 THR 85 113.648 -8.548 -9.430 683 1HG2 THR 85 HG21 THR 85 115.494 -10.899 -7.428 684 2HG2 THR 85 HG22 THR 85 114.594 -10.510 -5.954 685 3HG2 THR 85 HG23 THR 85 115.685 -9.337 -6.639 686 H LYS 86 HN LYS 86 111.171 -9.599 -6.490 687 HA LYS 86 HA LYS 86 111.384 -11.283 -4.251 688 1HB LYS 86 HB2 LYS 86 108.925 -9.681 -5.076 689 2HB LYS 86 HB1 LYS 86 109.277 -10.362 -3.490 690 1HG LYS 86 HG2 LYS 86 111.151 -8.922 -3.206 691 2HG LYS 86 HG1 LYS 86 110.919 -8.257 -4.818 692 1HD LYS 86 HD2 LYS 86 108.938 -8.057 -2.545 693 2HD LYS 86 HD1 LYS 86 110.047 -6.780 -3.050 694 1HE LYS 86 HE2 LYS 86 109.009 -6.839 -5.292 695 2HE LYS 86 HE1 LYS 86 107.833 -8.005 -4.678 696 1HZ LYS 86 HZ1 LYS 86 106.910 -5.828 -4.648 697 2HZ LYS 86 HZ2 LYS 86 108.178 -5.187 -3.758 698 3HZ LYS 86 HZ3 LYS 86 107.133 -6.319 -3.064 699 H GLU 87 HN GLU 87 109.264 -11.389 -7.032 700 HA GLU 87 HA GLU 87 107.564 -13.472 -6.462 701 1HB GLU 87 HB2 GLU 87 107.337 -12.105 -8.415 702 2HB GLU 87 HB1 GLU 87 108.895 -12.619 -9.023 703 1HG GLU 87 HG2 GLU 87 107.999 -14.856 -9.387 704 2HG GLU 87 HG1 GLU 87 106.428 -14.312 -8.782 705 H VAL 88 HN VAL 88 110.737 -13.701 -8.073 706 HA VAL 88 HA VAL 88 110.774 -16.496 -8.229 707 HB VAL 88 HB VAL 88 113.185 -14.655 -8.058 708 1HG1 VAL 88 HG11 VAL 88 113.771 -16.979 -7.659 709 2HG1 VAL 88 HG12 VAL 88 114.362 -16.468 -9.246 710 3HG1 VAL 88 HG13 VAL 88 112.906 -17.461 -9.116 711 1HG2 VAL 88 HG21 VAL 88 113.167 -14.738 -10.518 712 2HG2 VAL 88 HG22 VAL 88 111.690 -14.015 -9.879 713 3HG2 VAL 88 HG23 VAL 88 111.673 -15.676 -10.467 714 H ILE 89 HN ILE 89 111.962 -14.320 -5.716 715 HA ILE 89 HA ILE 89 113.201 -16.277 -4.103 716 HB ILE 89 HB ILE 89 111.916 -13.706 -3.126 717 1HG1 ILE 89 HG12 ILE 89 114.765 -14.185 -4.031 718 2HG1 ILE 89 HG11 ILE 89 113.545 -13.307 -4.949 719 1HG2 ILE 89 HG21 ILE 89 112.453 -15.253 -1.314 720 2HG2 ILE 89 HG22 ILE 89 113.547 -13.872 -1.284 721 3HG2 ILE 89 HG23 ILE 89 114.103 -15.422 -1.923 722 1HD1 ILE 89 HD11 ILE 89 114.806 -12.526 -2.340 723 2HD1 ILE 89 HD12 ILE 89 113.380 -11.756 -2.978 724 3HD1 ILE 89 HD13 ILE 89 114.905 -11.676 -3.893 725 H THR 90 HN THR 90 109.903 -14.918 -4.013 726 HA THR 90 HA THR 90 109.021 -16.342 -1.776 727 HB THR 90 HB THR 90 106.699 -15.937 -2.575 728 HG1 THR 90 HG1 THR 90 108.016 -15.493 -5.003 729 1HG2 THR 90 HG21 THR 90 106.798 -13.492 -2.638 730 2HG2 THR 90 HG22 THR 90 108.535 -13.576 -2.933 731 3HG2 THR 90 HG23 THR 90 107.872 -14.147 -1.399 732 H ASN 91 HN ASN 91 109.459 -17.383 -5.032 733 HA ASN 91 HA ASN 91 107.934 -19.834 -4.620 734 1HB ASN 91 HB2 ASN 91 109.403 -18.787 -7.047 735 2HB ASN 91 HB1 ASN 91 108.467 -20.276 -6.999 736 1HD2 ASN 91 HD21 ASN 91 108.145 -17.795 -8.583 737 2HD2 ASN 91 HD22 ASN 91 106.534 -17.278 -8.266 738 H SER 92 HN SER 92 111.140 -18.761 -4.227 739 HA SER 92 HA SER 92 112.106 -21.537 -4.470 740 1HB SER 92 HB2 SER 92 113.709 -19.013 -4.895 741 2HB SER 92 HB1 SER 92 114.247 -20.673 -5.163 742 HG SER 92 HG SER 92 112.277 -19.210 -6.543 743 H ILE 93 HN ILE 93 111.155 -19.595 -2.150 744 HA ILE 93 HA ILE 93 113.572 -19.529 -0.556 745 HB ILE 93 HB ILE 93 111.844 -17.656 -0.535 746 1HG1 ILE 93 HG12 ILE 93 112.018 -17.323 1.953 747 2HG1 ILE 93 HG11 ILE 93 112.717 -18.937 2.049 748 1HG2 ILE 93 HG21 ILE 93 109.870 -19.089 -0.416 749 2HG2 ILE 93 HG22 ILE 93 109.883 -17.880 0.880 750 3HG2 ILE 93 HG23 ILE 93 110.318 -19.564 1.216 751 1HD1 ILE 93 HD11 ILE 93 114.516 -17.363 2.031 752 2HD1 ILE 93 HD12 ILE 93 113.812 -16.521 0.662 753 3HD1 ILE 93 HD13 ILE 93 114.489 -18.148 0.444 754 H THR 94 HN THR 94 110.784 -21.450 -0.927 755 HA THR 94 HA THR 94 110.885 -22.974 1.414 756 HB THR 94 HB THR 94 108.995 -23.138 -0.136 757 HG1 THR 94 HG1 THR 94 109.673 -24.961 1.229 758 1HG2 THR 94 HG21 THR 94 110.905 -24.552 -2.016 759 2HG2 THR 94 HG22 THR 94 110.226 -22.942 -2.247 760 3HG2 THR 94 HG23 THR 94 109.166 -24.355 -2.272 761 H GLN 95 HN GLN 95 112.946 -22.994 -1.371 762 HA GLN 95 HA GLN 95 114.676 -24.883 -0.057 763 1HB GLN 95 HB2 GLN 95 115.172 -26.017 -2.269 764 2HB GLN 95 HB1 GLN 95 113.600 -26.388 -1.581 765 1HG GLN 95 HG2 GLN 95 112.488 -25.001 -3.154 766 2HG GLN 95 HG1 GLN 95 114.003 -24.286 -3.688 767 1HE2 GLN 95 HE21 GLN 95 113.700 -27.733 -3.120 768 2HE2 GLN 95 HE22 GLN 95 113.779 -28.176 -4.778 769 HA PRO 96 HA PRO 96 116.581 -21.070 -1.692 770 1HB PRO 96 HB2 PRO 96 117.772 -20.252 0.557 771 2HB PRO 96 HB1 PRO 96 116.055 -19.970 0.253 772 1HG PRO 96 HG2 PRO 96 117.360 -22.054 1.945 773 2HG PRO 96 HG1 PRO 96 115.908 -21.091 2.272 774 1HD PRO 96 HD2 PRO 96 115.848 -23.680 1.343 775 2HD PRO 96 HD1 PRO 96 114.568 -22.489 1.079 776 H THR 97 HN THR 97 118.800 -20.388 -1.750 777 HA THR 97 HA THR 97 120.828 -22.350 -1.174 778 HB THR 97 HB THR 97 121.676 -21.765 -3.596 779 HG1 THR 97 HG1 THR 97 118.903 -21.649 -4.091 780 1HG2 THR 97 HG21 THR 97 121.077 -24.028 -2.885 781 2HG2 THR 97 HG22 THR 97 120.502 -23.722 -4.525 782 3HG2 THR 97 HG23 THR 97 119.371 -23.679 -3.171 783 H LEU 98 HN LEU 98 123.003 -21.163 -1.955 784 HA LEU 98 HA LEU 98 123.286 -18.920 -0.298 785 1HB LEU 98 HB2 LEU 98 125.031 -20.242 -2.277 786 2HB LEU 98 HB1 LEU 98 125.458 -18.614 -1.809 787 HG LEU 98 HG LEU 98 125.632 -19.326 0.528 788 1HD1 LEU 98 HD11 LEU 98 125.613 -21.685 1.108 789 2HD1 LEU 98 HD12 LEU 98 125.008 -22.090 -0.505 790 3HD1 LEU 98 HD13 LEU 98 124.036 -21.106 0.597 791 1HD2 LEU 98 HD21 LEU 98 127.206 -20.994 -1.411 792 2HD2 LEU 98 HD22 LEU 98 127.638 -20.685 0.272 793 3HD2 LEU 98 HD23 LEU 98 127.583 -19.354 -0.883 794 H HIS 99 HN HIS 99 122.334 -19.018 -3.597 795 HA HIS 99 HA HIS 99 122.619 -16.103 -3.642 796 1HB HIS 99 HB2 HIS 99 122.788 -18.030 -5.966 797 2HB HIS 99 HB1 HIS 99 122.658 -16.283 -6.167 798 HD1 HIS 99 HD1 HIS 99 124.832 -14.877 -5.798 799 HD2 HIS 99 HD2 HIS 99 125.248 -18.919 -4.862 800 HE1 HIS 99 HE1 HIS 99 127.232 -15.197 -5.247 801 HE2 HIS 99 HE2 HIS 99 127.410 -17.593 -4.480 802 H SER 100 HN SER 100 120.374 -17.528 -2.527 803 HA SER 100 HA SER 100 118.178 -17.318 -4.251 804 1HB SER 100 HB2 SER 100 118.302 -17.313 -1.207 805 2HB SER 100 HB1 SER 100 116.803 -17.309 -2.121 806 HG SER 100 HG SER 100 117.633 -19.145 -3.230 807 H PHE 101 HN PHE 101 119.847 -14.872 -2.382 808 HA PHE 101 HA PHE 101 117.797 -12.916 -3.228 809 1HB PHE 101 HB2 PHE 101 119.897 -12.543 -1.085 810 2HB PHE 101 HB1 PHE 101 118.544 -11.486 -1.443 811 HD1 PHE 101 HD1 PHE 101 119.723 -14.322 0.374 812 HD2 PHE 101 HD2 PHE 101 116.218 -12.282 -0.894 813 HE1 PHE 101 HE1 PHE 101 118.421 -15.483 2.098 814 HE2 PHE 101 HE2 PHE 101 114.922 -13.455 0.846 815 HZ PHE 101 HZ PHE 101 116.026 -15.047 2.320 816 H ASP 102 HN ASP 102 120.245 -14.111 -4.592 817 HA ASP 102 HA ASP 102 122.327 -12.204 -4.779 818 1HB ASP 102 HB2 ASP 102 122.576 -14.515 -5.534 819 2HB ASP 102 HB1 ASP 102 121.413 -14.232 -6.818 820 H ALA 103 HN ALA 103 119.506 -12.732 -6.842 821 HA ALA 103 HA ALA 103 119.982 -10.570 -8.587 822 1HB ALA 103 HB1 ALA 103 118.407 -12.428 -9.066 823 2HB ALA 103 HB2 ALA 103 117.692 -10.834 -9.288 824 3HB ALA 103 HB3 ALA 103 117.304 -11.766 -7.848 825 H ALA 104 HN ALA 104 118.236 -10.879 -5.591 826 HA ALA 104 HA ALA 104 117.055 -8.324 -5.616 827 1HB ALA 104 HB1 ALA 104 116.152 -10.159 -4.385 828 2HB ALA 104 HB2 ALA 104 116.429 -8.763 -3.348 829 3HB ALA 104 HB3 ALA 104 117.535 -10.162 -3.266 830 H GLN 105 HN GLN 105 120.045 -9.548 -4.346 831 HA GLN 105 HA GLN 105 121.013 -7.380 -2.907 832 1HB GLN 105 HB2 GLN 105 122.113 -9.586 -3.014 833 2HB GLN 105 HB1 GLN 105 122.459 -9.359 -4.710 834 1HG GLN 105 HG2 GLN 105 123.663 -7.638 -2.536 835 2HG GLN 105 HG1 GLN 105 124.392 -9.140 -3.082 836 1HE2 GLN 105 HE21 GLN 105 125.556 -6.553 -3.166 837 2HE2 GLN 105 HE22 GLN 105 125.878 -6.163 -4.817 838 H SER 106 HN SER 106 121.173 -8.109 -6.337 839 HA SER 106 HA SER 106 122.603 -5.844 -7.149 840 1HB SER 106 HB2 SER 106 122.416 -7.939 -8.450 841 2HB SER 106 HB1 SER 106 120.707 -7.614 -8.716 842 HG SER 106 HG SER 106 122.975 -6.322 -9.730 843 H ARG 107 HN ARG 107 119.175 -6.474 -6.728 844 HA ARG 107 HA ARG 107 118.204 -4.143 -8.079 845 1HB ARG 107 HB2 ARG 107 116.785 -5.563 -5.838 846 2HB ARG 107 HB1 ARG 107 116.079 -4.584 -7.108 847 1HG ARG 107 HG2 ARG 107 117.257 -7.334 -7.331 848 2HG ARG 107 HG1 ARG 107 115.580 -6.853 -7.541 849 1HD ARG 107 HD2 ARG 107 117.881 -6.055 -9.328 850 2HD ARG 107 HD1 ARG 107 116.736 -7.343 -9.668 851 HE ARG 107 HE ARG 107 115.805 -4.578 -9.334 852 1HH1 ARG 107 HH11 ARG 107 116.154 -7.504 -11.324 853 2HH1 ARG 107 HH12 ARG 107 115.293 -6.882 -12.644 854 1HH2 ARG 107 HH21 ARG 107 114.596 -3.716 -11.176 855 2HH2 ARG 107 HH22 ARG 107 114.394 -4.689 -12.562 856 H VAL 108 HN VAL 108 118.787 -4.856 -4.687 857 HA VAL 108 HA VAL 108 118.024 -2.250 -3.831 858 HB VAL 108 HB VAL 108 119.522 -4.456 -2.385 859 1HG1 VAL 108 HG11 VAL 108 118.960 -3.258 -0.331 860 2HG1 VAL 108 HG12 VAL 108 118.250 -1.954 -1.287 861 3HG1 VAL 108 HG13 VAL 108 119.987 -2.259 -1.363 862 1HG2 VAL 108 HG21 VAL 108 116.665 -3.545 -2.329 863 2HG2 VAL 108 HG22 VAL 108 117.347 -4.871 -1.369 864 3HG2 VAL 108 HG23 VAL 108 117.286 -4.977 -3.137 865 H TYR 109 HN TYR 109 121.018 -3.763 -4.675 866 HA TYR 109 HA TYR 109 122.840 -1.793 -4.016 867 1HB TYR 109 HB2 TYR 109 123.767 -3.754 -4.751 868 2HB TYR 109 HB1 TYR 109 122.614 -3.970 -6.035 869 HD1 TYR 109 HD1 TYR 109 123.017 -2.711 -8.199 870 HD2 TYR 109 HD2 TYR 109 125.891 -2.807 -5.073 871 HE1 TYR 109 HE1 TYR 109 124.749 -2.058 -9.793 872 HE2 TYR 109 HE2 TYR 109 127.634 -2.137 -6.657 873 HH TYR 109 HH TYR 109 127.951 -2.378 -9.142 874 H GLN 110 HN GLN 110 120.911 -2.123 -7.035 875 HA GLN 110 HA GLN 110 121.817 0.415 -7.874 876 1HB GLN 110 HB2 GLN 110 120.023 0.262 -9.671 877 2HB GLN 110 HB1 GLN 110 121.344 -0.884 -9.703 878 1HG GLN 110 HG2 GLN 110 119.927 -2.588 -8.802 879 2HG GLN 110 HG1 GLN 110 118.570 -1.483 -8.657 880 1HE2 GLN 110 HE21 GLN 110 120.820 -1.345 -11.335 881 2HE2 GLN 110 HE22 GLN 110 119.771 -1.949 -12.546 882 H LEU 111 HN LEU 111 119.014 -0.543 -6.072 883 HA LEU 111 HA LEU 111 117.536 1.821 -6.142 884 1HB LEU 111 HB2 LEU 111 118.086 0.009 -3.786 885 2HB LEU 111 HB1 LEU 111 116.939 1.323 -3.741 886 HG LEU 111 HG LEU 111 116.732 -1.119 -5.504 887 1HD1 LEU 111 HD11 LEU 111 115.193 -0.316 -3.026 888 2HD1 LEU 111 HD12 LEU 111 116.416 -1.581 -3.098 889 3HD1 LEU 111 HD13 LEU 111 114.911 -1.756 -4.005 890 1HD2 LEU 111 HD21 LEU 111 115.717 0.887 -6.487 891 2HD2 LEU 111 HD22 LEU 111 114.803 1.143 -5.000 892 3HD2 LEU 111 HD23 LEU 111 114.496 -0.282 -5.986 893 H MET 112 HN MET 112 120.224 0.937 -4.049 894 HA MET 112 HA MET 112 120.317 3.464 -2.772 895 1HB MET 112 HB2 MET 112 122.299 1.207 -2.845 896 2HB MET 112 HB1 MET 112 122.563 2.686 -1.932 897 1HG MET 112 HG2 MET 112 120.546 2.254 -0.634 898 2HG MET 112 HG1 MET 112 120.269 0.778 -1.558 899 1HE MET 112 HE1 MET 112 123.302 -1.426 -0.531 900 2HE MET 112 HE2 MET 112 123.137 -0.372 -1.935 901 3HE MET 112 HE3 MET 112 121.776 -1.364 -1.407 902 H GLU 113 HN GLU 113 121.940 2.127 -5.542 903 HA GLU 113 HA GLU 113 123.917 4.033 -5.944 904 1HB GLU 113 HB2 GLU 113 123.729 1.980 -7.279 905 2HB GLU 113 HB1 GLU 113 122.234 2.592 -7.984 906 1HG GLU 113 HG2 GLU 113 123.472 4.403 -9.057 907 2HG GLU 113 HG1 GLU 113 124.968 3.808 -8.342 908 H GLN 114 HN GLN 114 120.667 4.000 -7.354 909 HA GLN 114 HA GLN 114 120.931 6.456 -8.693 910 1HB GLN 114 HB2 GLN 114 118.495 6.259 -9.089 911 2HB GLN 114 HB1 GLN 114 119.405 4.816 -9.514 912 1HG GLN 114 HG2 GLN 114 118.742 3.814 -7.373 913 2HG GLN 114 HG1 GLN 114 117.736 5.225 -7.039 914 1HE2 GLN 114 HE21 GLN 114 115.853 5.543 -8.312 915 2HE2 GLN 114 HE22 GLN 114 115.169 4.245 -9.216 916 H ASP 115 HN ASP 115 119.839 5.810 -5.458 917 HA ASP 115 HA ASP 115 118.890 8.607 -5.301 918 1HB ASP 115 HB2 ASP 115 117.228 6.946 -4.627 919 2HB ASP 115 HB1 ASP 115 118.347 6.333 -3.410 920 H SER 116 HN SER 116 120.891 6.293 -3.545 921 HA SER 116 HA SER 116 121.656 8.394 -1.716 922 1HB SER 116 HB2 SER 116 122.212 5.442 -1.643 923 2HB SER 116 HB1 SER 116 122.548 6.602 -0.353 924 HG SER 116 HG SER 116 120.221 7.136 -0.688 925 H TYR 117 HN TYR 117 123.157 6.460 -4.294 926 HA TYR 117 HA TYR 117 125.814 6.831 -3.353 927 1HB TYR 117 HB2 TYR 117 125.325 4.964 -4.724 928 2HB TYR 117 HB1 TYR 117 124.717 6.012 -6.025 929 HD1 TYR 117 HD1 TYR 117 126.041 5.967 -7.857 930 HD2 TYR 117 HD2 TYR 117 127.906 5.785 -4.041 931 HE1 TYR 117 HE1 TYR 117 128.235 5.906 -8.939 932 HE2 TYR 117 HE2 TYR 117 130.115 5.716 -5.120 933 HH TYR 117 HH TYR 117 131.144 5.253 -7.178 934 H THR 118 HN THR 118 123.817 8.623 -5.521 935 HA THR 118 HA THR 118 125.755 10.333 -6.624 936 HB THR 118 HB THR 118 123.648 11.762 -6.970 937 HG1 THR 118 HG1 THR 118 121.714 10.646 -6.390 938 1HG2 THR 118 HG21 THR 118 124.468 10.087 -8.631 939 2HG2 THR 118 HG22 THR 118 122.709 10.190 -8.594 940 3HG2 THR 118 HG23 THR 118 123.522 8.843 -7.809 941 H ARG 119 HN ARG 119 123.434 10.800 -4.039 942 HA ARG 119 HA ARG 119 124.356 13.229 -2.999 943 1HB ARG 119 HB2 ARG 119 122.959 10.970 -1.570 944 2HB ARG 119 HB1 ARG 119 123.157 12.592 -0.933 945 1HG ARG 119 HG2 ARG 119 121.791 13.477 -2.747 946 2HG ARG 119 HG1 ARG 119 121.601 11.844 -3.396 947 1HD ARG 119 HD2 ARG 119 119.662 12.519 -2.049 948 2HD ARG 119 HD1 ARG 119 120.502 11.133 -1.350 949 HE ARG 119 HE ARG 119 121.103 13.834 -0.392 950 1HH1 ARG 119 HH11 ARG 119 119.850 10.551 0.273 951 2HH1 ARG 119 HH12 ARG 119 119.787 10.792 1.951 952 1HH2 ARG 119 HH21 ARG 119 120.915 14.130 1.970 953 2HH2 ARG 119 HH22 ARG 119 120.284 12.857 2.911 954 H PHE 120 HN PHE 120 125.206 9.895 -2.275 955 HA PHE 120 HA PHE 120 126.956 10.362 -0.175 956 1HB PHE 120 HB2 PHE 120 126.263 8.105 -0.605 957 2HB PHE 120 HB1 PHE 120 126.932 8.150 -2.233 958 HD1 PHE 120 HD1 PHE 120 129.146 7.543 -2.638 959 HD2 PHE 120 HD2 PHE 120 127.858 8.216 1.362 960 HE1 PHE 120 HE1 PHE 120 131.283 6.681 -1.810 961 HE2 PHE 120 HE2 PHE 120 130.014 7.337 2.190 962 HZ PHE 120 HZ PHE 120 131.715 6.581 0.605 963 H LEU 121 HN LEU 121 127.573 10.319 -3.670 964 HA LEU 121 HA LEU 121 130.318 10.697 -3.357 965 1HB LEU 121 HB2 LEU 121 128.551 11.286 -5.693 966 2HB LEU 121 HB1 LEU 121 130.282 11.579 -5.726 967 HG LEU 121 HG LEU 121 128.917 8.923 -5.343 968 1HD1 LEU 121 HD11 LEU 121 129.991 8.375 -7.470 969 2HD1 LEU 121 HD12 LEU 121 130.636 10.016 -7.559 970 3HD1 LEU 121 HD13 LEU 121 128.895 9.752 -7.629 971 1HD2 LEU 121 HD21 LEU 121 130.966 9.044 -3.942 972 2HD2 LEU 121 HD22 LEU 121 131.861 9.622 -5.316 973 3HD2 LEU 121 HD23 LEU 121 131.212 7.981 -5.332 974 H LYS 122 HN LYS 122 127.802 12.994 -3.084 975 HA LYS 122 HA LYS 122 130.053 14.765 -2.438 976 1HB LYS 122 HB2 LYS 122 128.712 15.559 -4.414 977 2HB LYS 122 HB1 LYS 122 127.352 15.805 -3.329 978 1HG LYS 122 HG2 LYS 122 128.380 17.594 -2.243 979 2HG LYS 122 HG1 LYS 122 129.989 17.122 -2.785 980 1HD LYS 122 HD2 LYS 122 127.793 18.144 -4.583 981 2HD LYS 122 HD1 LYS 122 129.106 19.132 -3.931 982 1HE LYS 122 HE2 LYS 122 130.739 17.671 -5.042 983 2HE LYS 122 HE1 LYS 122 129.424 16.711 -5.710 984 1HZ LYS 122 HZ1 LYS 122 130.237 18.276 -7.330 985 2HZ LYS 122 HZ2 LYS 122 129.955 19.579 -6.278 986 3HZ LYS 122 HZ3 LYS 122 128.651 18.679 -6.891 987 H SER 123 HN SER 123 128.539 12.836 -0.794 988 HA SER 123 HA SER 123 127.346 14.327 1.339 989 1HB SER 123 HB2 SER 123 127.450 12.259 2.622 990 2HB SER 123 HB1 SER 123 126.946 11.878 0.973 991 HG SER 123 HG SER 123 129.038 11.188 0.521 992 H ASP 124 HN ASP 124 128.267 14.484 3.500 993 HA ASP 124 HA ASP 124 130.756 15.777 3.505 994 1HB ASP 124 HB2 ASP 124 129.037 16.208 5.215 995 2HB ASP 124 HB1 ASP 124 129.296 14.598 5.879 996 H ILE 125 HN ILE 125 129.919 12.451 4.412 997 HA ILE 125 HA ILE 125 132.501 11.826 5.318 998 HB ILE 125 HB ILE 125 130.696 10.320 5.963 999 1HG1 ILE 125 HG12 ILE 125 131.681 8.113 5.448 1000 2HG1 ILE 125 HG11 ILE 125 132.654 8.852 4.184 1001 1HG2 ILE 125 HG21 ILE 125 129.595 8.791 4.424 1002 2HG2 ILE 125 HG22 ILE 125 130.462 9.511 3.080 1003 3HG2 ILE 125 HG23 ILE 125 129.281 10.474 3.981 1004 1HD1 ILE 125 HD11 ILE 125 133.959 8.453 6.191 1005 2HD1 ILE 125 HD12 ILE 125 132.836 9.434 7.133 1006 3HD1 ILE 125 HD13 ILE 125 133.818 10.183 5.872 1007 H TYR 126 HN TYR 126 131.110 11.479 2.053 1008 HA TYR 126 HA TYR 126 133.506 10.278 1.078 1009 1HB TYR 126 HB2 TYR 126 131.327 9.987 -0.085 1010 2HB TYR 126 HB1 TYR 126 131.367 11.687 -0.539 1011 HD1 TYR 126 HD1 TYR 126 132.950 8.405 -1.074 1012 HD2 TYR 126 HD2 TYR 126 132.698 12.425 -2.379 1013 HE1 TYR 126 HE1 TYR 126 134.245 7.810 -3.012 1014 HE2 TYR 126 HE2 TYR 126 133.983 11.876 -4.366 1015 HH TYR 126 HH TYR 126 134.769 8.583 -5.168 1016 H LEU 127 HN LEU 127 132.328 13.551 1.276 1017 HA LEU 127 HA LEU 127 134.419 14.727 -0.182 1018 1HB LEU 127 HB2 LEU 127 132.672 15.864 1.990 1019 2HB LEU 127 HB1 LEU 127 133.744 16.838 1.013 1020 HG LEU 127 HG LEU 127 131.329 15.296 0.087 1021 1HD1 LEU 127 HD11 LEU 127 131.878 18.246 0.208 1022 2HD1 LEU 127 HD12 LEU 127 130.774 17.335 1.240 1023 3HD1 LEU 127 HD13 LEU 127 130.444 17.491 -0.486 1024 1HD2 LEU 127 HD21 LEU 127 133.263 16.934 -1.548 1025 2HD2 LEU 127 HD22 LEU 127 131.751 16.238 -2.134 1026 3HD2 LEU 127 HD23 LEU 127 133.067 15.183 -1.617 1027 H ASP 128 HN ASP 128 134.165 13.641 3.113 1028 HA ASP 128 HA ASP 128 136.516 14.883 4.120 1029 1HB ASP 128 HB2 ASP 128 134.901 13.972 5.690 1030 2HB ASP 128 HB1 ASP 128 135.120 12.353 5.030 1031 H LEU 129 HN LEU 129 135.865 11.832 2.533 1032 HA LEU 129 HA LEU 129 138.373 10.593 2.859 1033 1HB LEU 129 HB2 LEU 129 136.854 10.222 0.260 1034 2HB LEU 129 HB1 LEU 129 137.763 9.104 1.209 1035 HG LEU 129 HG LEU 129 135.092 10.145 2.105 1036 1HD1 LEU 129 HD11 LEU 129 135.776 7.601 0.694 1037 2HD1 LEU 129 HD12 LEU 129 134.854 8.956 0.045 1038 3HD1 LEU 129 HD13 LEU 129 134.208 8.010 1.386 1039 1HD2 LEU 129 HD21 LEU 129 135.124 8.129 3.550 1040 2HD2 LEU 129 HD22 LEU 129 136.382 9.296 3.973 1041 3HD2 LEU 129 HD23 LEU 129 136.794 7.838 3.064 1042 H MET 130 HN MET 130 137.137 12.836 0.494 1043 HA MET 130 HA MET 130 139.536 12.966 -1.067 1044 1HB MET 130 HB2 MET 130 137.185 14.785 -0.895 1045 2HB MET 130 HB1 MET 130 138.519 15.021 -2.023 1046 1HG MET 130 HG2 MET 130 136.584 12.687 -1.959 1047 2HG MET 130 HG1 MET 130 136.721 13.927 -3.197 1048 1HE MET 130 HE1 MET 130 138.024 10.620 -4.886 1049 2HE MET 130 HE2 MET 130 136.888 11.964 -5.055 1050 3HE MET 130 HE3 MET 130 136.721 10.825 -3.718 1051 H GLU 131 HN GLU 131 138.153 14.916 1.502 1052 HA GLU 131 HA GLU 131 140.180 16.916 1.501 1053 1HB GLU 131 HB2 GLU 131 137.907 17.336 2.362 1054 2HB GLU 131 HB1 GLU 131 138.133 16.127 3.606 1055 1HG GLU 131 HG2 GLU 131 138.265 18.429 4.451 1056 2HG GLU 131 HG1 GLU 131 139.748 17.522 4.727 1057 H GLY 132 HN GLY 132 140.400 13.815 2.148 1058 1HA GLY 132 HA2 GLY 132 142.040 13.767 4.500 1059 2HA GLY 132 HA1 GLY 132 141.860 12.453 3.343 1060 H ARG 133 HN ARG 133 142.551 14.710 1.310 1061 HA ARG 133 HA ARG 133 144.314 15.561 0.167 1062 1HB ARG 133 HB2 ARG 133 145.832 15.197 2.752 1063 2HB ARG 133 HB1 ARG 133 146.458 16.016 1.334 1064 1HG ARG 133 HG2 ARG 133 144.817 17.753 1.561 1065 2HG ARG 133 HG1 ARG 133 144.036 16.885 2.890 1066 1HD ARG 133 HD2 ARG 133 146.869 17.921 2.885 1067 2HD ARG 133 HD1 ARG 133 145.501 18.666 3.717 1068 HE ARG 133 HE ARG 133 145.327 16.414 4.858 1069 1HH1 ARG 133 HH11 ARG 133 148.443 17.870 3.912 1070 2HH1 ARG 133 HH12 ARG 133 149.328 17.116 5.152 1071 1HH2 ARG 133 HH21 ARG 133 146.560 15.332 6.516 1072 2HH2 ARG 133 HH22 ARG 133 148.223 15.619 6.691 1073 HA PRO 134 HA PRO 134 146.469 12.060 -1.456 1074 1HB PRO 134 HB2 PRO 134 148.578 13.370 -2.671 1075 2HB PRO 134 HB1 PRO 134 146.975 13.196 -3.388 1076 1HG PRO 134 HG2 PRO 134 148.173 15.523 -1.962 1077 2HG PRO 134 HG1 PRO 134 147.097 15.499 -3.370 1078 1HD PRO 134 HD2 PRO 134 146.238 16.092 -0.877 1079 2HD PRO 134 HD1 PRO 134 145.213 15.281 -2.079 Start of MODEL 7 1 1H SER 1 HT1 SER 1 140.859 0.982 6.761 2 2H SER 1 HT2 SER 1 139.547 1.325 5.756 3 3H SER 1 HT3 SER 1 139.398 0.135 6.942 4 HA SER 1 HA SER 1 138.253 2.067 7.620 5 1HB SER 1 HB2 SER 1 140.835 1.719 9.152 6 2HB SER 1 HB1 SER 1 139.306 2.334 9.789 7 HG SER 1 HG SER 1 138.399 0.380 9.604 8 H MET 2 HN MET 2 141.489 2.689 6.394 9 HA MET 2 HA MET 2 140.791 5.521 6.354 10 1HB MET 2 HB2 MET 2 142.603 5.004 8.013 11 2HB MET 2 HB1 MET 2 143.554 4.329 6.704 12 1HG MET 2 HG2 MET 2 143.678 6.500 5.638 13 2HG MET 2 HG1 MET 2 142.645 7.191 6.892 14 1HE MET 2 HE1 MET 2 146.088 8.815 7.752 15 2HE MET 2 HE2 MET 2 144.376 9.101 7.432 16 3HE MET 2 HE3 MET 2 145.426 8.493 6.149 17 H VAL 3 HN VAL 3 140.574 6.121 4.336 18 HA VAL 3 HA VAL 3 141.795 4.439 2.298 19 HB VAL 3 HB VAL 3 139.408 4.195 2.175 20 1HG1 VAL 3 HG11 VAL 3 139.248 7.192 2.103 21 2HG1 VAL 3 HG12 VAL 3 138.670 6.106 3.388 22 3HG1 VAL 3 HG13 VAL 3 137.898 6.096 1.806 23 1HG2 VAL 3 HG21 VAL 3 140.148 6.141 -0.014 24 2HG2 VAL 3 HG22 VAL 3 138.912 4.889 -0.073 25 3HG2 VAL 3 HG23 VAL 3 140.617 4.440 0.007 26 H SER 4 HN SER 4 143.053 5.262 0.907 27 HA SER 4 HA SER 4 144.024 7.910 1.098 28 1HB SER 4 HB2 SER 4 144.365 5.894 -1.132 29 2HB SER 4 HB1 SER 4 145.436 7.244 -0.746 30 HG SER 4 HG SER 4 144.960 4.880 0.732 31 HA PRO 5 HA PRO 5 140.868 10.079 -1.179 32 1HB PRO 5 HB2 PRO 5 142.688 11.838 -2.445 33 2HB PRO 5 HB1 PRO 5 141.775 12.126 -0.962 34 1HG PRO 5 HG2 PRO 5 144.583 11.235 -1.316 35 2HG PRO 5 HG1 PRO 5 143.860 12.203 -0.021 36 1HD PRO 5 HD2 PRO 5 144.552 9.642 0.346 37 2HD PRO 5 HD1 PRO 5 143.106 10.330 1.117 38 H GLU 6 HN GLU 6 143.693 8.814 -2.823 39 HA GLU 6 HA GLU 6 142.694 9.191 -5.468 40 1HB GLU 6 HB2 GLU 6 144.752 7.216 -4.465 41 2HB GLU 6 HB1 GLU 6 144.448 7.597 -6.153 42 1HG GLU 6 HG2 GLU 6 145.528 9.454 -4.046 43 2HG GLU 6 HG1 GLU 6 146.414 8.753 -5.399 44 H GLU 7 HN GLU 7 142.804 6.365 -3.317 45 HA GLU 7 HA GLU 7 141.337 4.693 -5.010 46 1HB GLU 7 HB2 GLU 7 142.745 3.816 -3.256 47 2HB GLU 7 HB1 GLU 7 141.830 4.673 -2.031 48 1HG GLU 7 HG2 GLU 7 139.973 3.224 -2.331 49 2HG GLU 7 HG1 GLU 7 140.726 2.476 -3.743 50 H ALA 8 HN ALA 8 140.472 6.986 -2.532 51 HA ALA 8 HA ALA 8 137.754 6.337 -2.406 52 1HB ALA 8 HB1 ALA 8 138.932 7.657 -0.699 53 2HB ALA 8 HB2 ALA 8 137.440 8.457 -1.192 54 3HB ALA 8 HB3 ALA 8 138.999 9.032 -1.794 55 H VAL 9 HN VAL 9 139.428 8.722 -4.574 56 HA VAL 9 HA VAL 9 137.015 9.517 -5.810 57 HB VAL 9 HB VAL 9 138.239 10.383 -7.726 58 1HG1 VAL 9 HG11 VAL 9 138.260 11.771 -5.803 59 2HG1 VAL 9 HG12 VAL 9 139.797 11.927 -6.661 60 3HG1 VAL 9 HG13 VAL 9 139.697 10.961 -5.186 61 1HG2 VAL 9 HG21 VAL 9 140.662 10.148 -7.983 62 2HG2 VAL 9 HG22 VAL 9 139.813 8.603 -8.111 63 3HG2 VAL 9 HG23 VAL 9 140.679 9.015 -6.631 64 H LYS 10 HN LYS 10 138.962 6.717 -6.278 65 HA LYS 10 HA LYS 10 137.842 5.824 -8.697 66 1HB LYS 10 HB2 LYS 10 139.240 4.469 -6.435 67 2HB LYS 10 HB1 LYS 10 138.346 3.458 -7.555 68 1HG LYS 10 HG2 LYS 10 140.780 3.686 -8.055 69 2HG LYS 10 HG1 LYS 10 139.713 4.124 -9.382 70 1HD LYS 10 HD2 LYS 10 140.047 6.488 -8.866 71 2HD LYS 10 HD1 LYS 10 141.082 6.051 -7.505 72 1HE LYS 10 HE2 LYS 10 142.673 5.061 -8.949 73 2HE LYS 10 HE1 LYS 10 141.630 5.265 -10.361 74 1HZ LYS 10 HZ1 LYS 10 143.293 6.955 -10.379 75 2HZ LYS 10 HZ2 LYS 10 143.043 7.396 -8.816 76 3HZ LYS 10 HZ3 LYS 10 141.845 7.723 -9.994 77 H TRP 11 HN TRP 11 136.600 5.808 -5.468 78 HA TRP 11 HA TRP 11 134.495 3.959 -5.810 79 1HB TRP 11 HB2 TRP 11 134.690 6.344 -3.966 80 2HB TRP 11 HB1 TRP 11 133.441 5.111 -3.865 81 HD1 TRP 11 HD1 TRP 11 136.268 3.111 -4.655 82 HE1 TRP 11 HE1 TRP 11 137.471 2.217 -2.636 83 HE3 TRP 11 HE3 TRP 11 134.250 6.234 -1.146 84 HZ2 TRP 11 HZ2 TRP 11 137.549 2.757 0.176 85 HZ3 TRP 11 HZ3 TRP 11 134.920 5.943 1.213 86 HH2 TRP 11 HH2 TRP 11 136.547 4.250 1.839 87 H GLY 12 HN GLY 12 134.961 7.108 -7.001 88 1HA GLY 12 HA2 GLY 12 132.169 7.729 -7.397 89 2HA GLY 12 HA1 GLY 12 133.550 8.669 -7.951 90 H GLU 13 HN GLU 13 134.282 5.652 -8.896 91 HA GLU 13 HA GLU 13 133.334 6.081 -11.598 92 1HB GLU 13 HB2 GLU 13 134.866 3.748 -10.449 93 2HB GLU 13 HB1 GLU 13 134.590 4.071 -12.153 94 1HG GLU 13 HG2 GLU 13 135.916 6.120 -11.962 95 2HG GLU 13 HG1 GLU 13 136.188 5.739 -10.254 96 H SER 14 HN SER 14 132.949 3.690 -9.021 97 HA SER 14 HA SER 14 130.285 3.168 -9.936 98 1HB SER 14 HB2 SER 14 131.582 1.614 -11.345 99 2HB SER 14 HB1 SER 14 132.290 0.896 -9.897 100 HG SER 14 HG SER 14 129.505 1.031 -10.369 101 H PHE 15 HN PHE 15 128.989 2.576 -8.437 102 HA PHE 15 HA PHE 15 129.578 2.906 -5.721 103 1HB PHE 15 HB2 PHE 15 127.365 3.328 -6.638 104 2HB PHE 15 HB1 PHE 15 127.205 1.655 -7.129 105 HD1 PHE 15 HD1 PHE 15 125.364 0.885 -6.001 106 HD2 PHE 15 HD2 PHE 15 128.282 3.073 -3.835 107 HE1 PHE 15 HE1 PHE 15 124.187 0.378 -3.906 108 HE2 PHE 15 HE2 PHE 15 127.078 2.544 -1.716 109 HZ PHE 15 HZ PHE 15 125.050 1.214 -1.784 110 H ASP 16 HN ASP 16 129.511 0.113 -7.789 111 HA ASP 16 HA ASP 16 129.415 -1.896 -5.864 112 1HB ASP 16 HB2 ASP 16 129.066 -2.320 -8.236 113 2HB ASP 16 HB1 ASP 16 130.759 -1.966 -8.560 114 H LYS 17 HN LYS 17 132.258 -0.141 -7.135 115 HA LYS 17 HA LYS 17 133.972 -1.909 -5.633 116 1HB LYS 17 HB2 LYS 17 135.888 -0.555 -6.305 117 2HB LYS 17 HB1 LYS 17 134.904 -0.935 -7.698 118 1HG LYS 17 HG2 LYS 17 134.002 1.317 -7.698 119 2HG LYS 17 HG1 LYS 17 134.909 1.690 -6.228 120 1HD LYS 17 HD2 LYS 17 136.092 2.573 -8.142 121 2HD LYS 17 HD1 LYS 17 137.006 1.237 -7.448 122 1HE LYS 17 HE2 LYS 17 136.161 -0.259 -9.173 123 2HE LYS 17 HE1 LYS 17 135.190 1.047 -9.847 124 1HZ LYS 17 HZ1 LYS 17 137.212 0.747 -11.097 125 2HZ LYS 17 HZ2 LYS 17 138.167 0.961 -9.740 126 3HZ LYS 17 HZ3 LYS 17 137.279 2.252 -10.340 127 H LEU 18 HN LEU 18 132.575 1.223 -5.220 128 HA LEU 18 HA LEU 18 133.775 2.088 -2.846 129 1HB LEU 18 HB2 LEU 18 132.279 3.566 -3.897 130 2HB LEU 18 HB1 LEU 18 131.030 2.349 -4.044 131 HG LEU 18 HG LEU 18 130.684 2.492 -1.570 132 1HD1 LEU 18 HD11 LEU 18 132.498 4.862 -1.781 133 2HD1 LEU 18 HD12 LEU 18 132.824 3.357 -0.921 134 3HD1 LEU 18 HD13 LEU 18 131.523 4.420 -0.381 135 1HD2 LEU 18 HD21 LEU 18 130.323 5.059 -3.085 136 2HD2 LEU 18 HD22 LEU 18 129.477 4.579 -1.609 137 3HD2 LEU 18 HD23 LEU 18 129.233 3.670 -3.099 138 H LEU 19 HN LEU 19 131.021 0.064 -3.431 139 HA LEU 19 HA LEU 19 130.240 -0.348 -0.777 140 1HB LEU 19 HB2 LEU 19 129.034 -0.436 -3.052 141 2HB LEU 19 HB1 LEU 19 129.553 -2.104 -3.065 142 HG LEU 19 HG LEU 19 128.274 -2.558 -1.077 143 1HD1 LEU 19 HD11 LEU 19 126.919 -0.774 -0.049 144 2HD1 LEU 19 HD12 LEU 19 127.593 0.394 -1.190 145 3HD1 LEU 19 HD13 LEU 19 128.635 -0.359 0.010 146 1HD2 LEU 19 HD21 LEU 19 126.783 -0.968 -3.163 147 2HD2 LEU 19 HD22 LEU 19 126.034 -2.049 -2.009 148 3HD2 LEU 19 HD23 LEU 19 127.143 -2.693 -3.230 149 H SER 20 HN SER 20 132.258 -2.168 -3.008 150 HA SER 20 HA SER 20 132.359 -4.478 -1.326 151 1HB SER 20 HB2 SER 20 134.111 -3.708 -3.666 152 2HB SER 20 HB1 SER 20 134.039 -5.306 -2.917 153 HG SER 20 HG SER 20 132.096 -3.939 -4.435 154 H HIS 21 HN HIS 21 133.882 -1.473 -1.201 155 HA HIS 21 HA HIS 21 136.313 -2.454 0.071 156 1HB HIS 21 HB2 HIS 21 135.847 -0.244 -1.467 157 2HB HIS 21 HB1 HIS 21 135.598 0.428 0.133 158 HD1 HIS 21 HD1 HIS 21 137.758 1.289 1.291 159 HD2 HIS 21 HD2 HIS 21 138.481 -1.539 -1.694 160 HE1 HIS 21 HE1 HIS 21 140.170 1.182 1.046 161 HE2 HIS 21 HE2 HIS 21 140.470 -0.065 -1.068 162 H ARG 22 HN ARG 22 136.410 -2.640 2.225 163 HA ARG 22 HA ARG 22 134.055 -2.547 3.768 164 1HB ARG 22 HB2 ARG 22 136.922 -2.988 4.469 165 2HB ARG 22 HB1 ARG 22 135.760 -2.735 5.760 166 1HG ARG 22 HG2 ARG 22 136.153 -5.116 5.321 167 2HG ARG 22 HG1 ARG 22 134.479 -4.660 5.049 168 1HD ARG 22 HD2 ARG 22 134.889 -4.632 2.619 169 2HD ARG 22 HD1 ARG 22 136.574 -5.075 2.901 170 HE ARG 22 HE ARG 22 135.299 -7.025 4.173 171 1HH1 ARG 22 HH11 ARG 22 134.802 -5.806 0.828 172 2HH1 ARG 22 HH12 ARG 22 134.249 -7.292 0.238 173 1HH2 ARG 22 HH21 ARG 22 134.520 -9.033 3.344 174 2HH2 ARG 22 HH22 ARG 22 134.104 -9.205 1.702 175 H ASP 23 HN ASP 23 136.641 -0.169 3.655 176 HA ASP 23 HA ASP 23 135.133 1.478 5.498 177 1HB ASP 23 HB2 ASP 23 136.875 3.308 4.935 178 2HB ASP 23 HB1 ASP 23 137.430 1.889 5.817 179 H GLY 24 HN GLY 24 134.894 0.915 2.262 180 1HA GLY 24 HA2 GLY 24 133.820 3.553 1.619 181 2HA GLY 24 HA1 GLY 24 133.899 2.182 0.524 182 H LEU 25 HN LEU 25 132.763 0.251 1.850 183 HA LEU 25 HA LEU 25 130.030 0.591 1.818 184 1HB LEU 25 HB2 LEU 25 130.601 -1.623 1.758 185 2HB LEU 25 HB1 LEU 25 131.962 -1.408 2.821 186 HG LEU 25 HG LEU 25 129.208 -1.367 4.029 187 1HD1 LEU 25 HD11 LEU 25 129.282 -3.806 4.206 188 2HD1 LEU 25 HD12 LEU 25 130.768 -3.846 3.256 189 3HD1 LEU 25 HD13 LEU 25 129.257 -3.329 2.509 190 1HD2 LEU 25 HD21 LEU 25 131.196 -0.905 5.443 191 2HD2 LEU 25 HD22 LEU 25 131.920 -2.397 4.877 192 3HD2 LEU 25 HD23 LEU 25 130.462 -2.458 5.876 193 H GLU 26 HN GLU 26 132.392 1.076 4.293 194 HA GLU 26 HA GLU 26 130.486 1.611 6.311 195 1HB GLU 26 HB2 GLU 26 132.585 0.660 6.807 196 2HB GLU 26 HB1 GLU 26 133.445 2.071 6.199 197 1HG GLU 26 HG2 GLU 26 132.613 3.425 7.976 198 2HG GLU 26 HG1 GLU 26 131.531 2.140 8.516 199 H ALA 27 HN ALA 27 132.391 3.645 4.060 200 HA ALA 27 HA ALA 27 131.650 6.099 5.253 201 1HB ALA 27 HB1 ALA 27 133.431 6.079 3.481 202 2HB ALA 27 HB2 ALA 27 132.078 7.096 2.991 203 3HB ALA 27 HB3 ALA 27 132.249 5.491 2.322 204 H PHE 28 HN PHE 28 130.165 4.029 2.858 205 HA PHE 28 HA PHE 28 127.992 5.766 2.329 206 1HB PHE 28 HB2 PHE 28 128.930 4.110 0.716 207 2HB PHE 28 HB1 PHE 28 128.255 2.830 1.712 208 HD1 PHE 28 HD1 PHE 28 125.975 2.274 1.605 209 HD2 PHE 28 HD2 PHE 28 127.448 5.701 -0.421 210 HE1 PHE 28 HE1 PHE 28 123.853 2.473 0.405 211 HE2 PHE 28 HE2 PHE 28 125.322 5.906 -1.627 212 HZ PHE 28 HZ PHE 28 123.526 4.271 -1.208 213 H THR 29 HN THR 29 128.507 2.942 4.415 214 HA THR 29 HA THR 29 125.804 2.651 5.069 215 HB THR 29 HB THR 29 127.615 0.874 5.523 216 HG1 THR 29 HG1 THR 29 126.396 -0.017 6.957 217 1HG2 THR 29 HG21 THR 29 127.968 2.469 8.064 218 2HG2 THR 29 HG22 THR 29 129.176 2.290 6.792 219 3HG2 THR 29 HG23 THR 29 128.663 0.881 7.728 220 H ARG 30 HN ARG 30 128.313 4.698 6.462 221 HA ARG 30 HA ARG 30 126.868 5.564 8.720 222 1HB ARG 30 HB2 ARG 30 128.806 7.149 7.005 223 2HB ARG 30 HB1 ARG 30 128.206 7.674 8.564 224 1HG ARG 30 HG2 ARG 30 129.329 5.746 9.607 225 2HG ARG 30 HG1 ARG 30 129.958 5.289 8.021 226 1HD ARG 30 HD2 ARG 30 131.065 7.455 7.825 227 2HD ARG 30 HD1 ARG 30 130.449 7.918 9.406 228 HE ARG 30 HE ARG 30 131.882 5.540 9.680 229 1HH1 ARG 30 HH11 ARG 30 132.381 9.018 9.197 230 2HH1 ARG 30 HH12 ARG 30 134.035 8.997 9.584 231 1HH2 ARG 30 HH21 ARG 30 134.167 5.511 10.311 232 2HH2 ARG 30 HH22 ARG 30 135.062 6.966 10.246 233 H PHE 31 HN PHE 31 127.125 6.801 5.443 234 HA PHE 31 HA PHE 31 125.337 8.935 5.601 235 1HB PHE 31 HB2 PHE 31 126.946 8.622 3.776 236 2HB PHE 31 HB1 PHE 31 126.075 7.193 3.241 237 HD1 PHE 31 HD1 PHE 31 124.146 7.372 1.873 238 HD2 PHE 31 HD2 PHE 31 125.944 10.849 3.529 239 HE1 PHE 31 HE1 PHE 31 122.781 8.779 0.394 240 HE2 PHE 31 HE2 PHE 31 124.578 12.261 2.055 241 HZ PHE 31 HZ PHE 31 122.995 11.223 0.487 242 H LEU 32 HN LEU 32 124.790 5.541 4.886 243 HA LEU 32 HA LEU 32 122.051 5.838 4.123 244 1HB LEU 32 HB2 LEU 32 123.893 3.865 3.771 245 2HB LEU 32 HB1 LEU 32 123.034 3.253 5.148 246 HG LEU 32 HG LEU 32 120.951 3.207 3.936 247 1HD1 LEU 32 HD11 LEU 32 120.876 3.779 1.554 248 2HD1 LEU 32 HD12 LEU 32 122.554 4.317 1.623 249 3HD1 LEU 32 HD13 LEU 32 121.311 5.184 2.526 250 1HD2 LEU 32 HD21 LEU 32 122.448 1.291 3.774 251 2HD2 LEU 32 HD22 LEU 32 123.237 2.024 2.379 252 3HD2 LEU 32 HD23 LEU 32 121.549 1.517 2.272 253 H LYS 33 HN LYS 33 123.710 4.808 7.068 254 HA LYS 33 HA LYS 33 121.468 4.141 8.619 255 1HB LYS 33 HB2 LYS 33 124.275 4.946 9.309 256 2HB LYS 33 HB1 LYS 33 123.083 4.665 10.565 257 1HG LYS 33 HG2 LYS 33 122.877 2.367 9.963 258 2HG LYS 33 HG1 LYS 33 123.809 2.613 8.482 259 1HD LYS 33 HD2 LYS 33 125.806 3.008 9.698 260 2HD LYS 33 HD1 LYS 33 124.934 3.154 11.210 261 1HE LYS 33 HE2 LYS 33 126.159 0.996 10.990 262 2HE LYS 33 HE1 LYS 33 124.434 0.806 11.269 263 1HZ LYS 33 HZ1 LYS 33 124.135 0.070 9.014 264 2HZ LYS 33 HZ2 LYS 33 125.502 -0.692 9.570 265 3HZ LYS 33 HZ3 LYS 33 125.651 0.638 8.555 266 H THR 34 HN THR 34 123.161 7.216 8.175 267 HA THR 34 HA THR 34 121.751 8.496 10.257 268 HB THR 34 HB THR 34 124.005 9.232 9.420 269 HG1 THR 34 HG1 THR 34 122.192 10.627 10.477 270 1HG2 THR 34 HG21 THR 34 122.408 10.448 7.168 271 2HG2 THR 34 HG22 THR 34 123.581 9.141 7.020 272 3HG2 THR 34 HG23 THR 34 124.115 10.752 7.502 273 H GLU 35 HN GLU 35 120.585 7.504 7.326 274 HA GLU 35 HA GLU 35 118.298 9.254 7.730 275 1HB GLU 35 HB2 GLU 35 117.885 9.326 5.293 276 2HB GLU 35 HB1 GLU 35 119.349 10.158 5.776 277 1HG GLU 35 HG2 GLU 35 120.692 8.338 4.954 278 2HG GLU 35 HG1 GLU 35 119.236 7.408 4.567 279 H PHE 36 HN PHE 36 118.986 6.643 8.619 280 HA PHE 36 HA PHE 36 118.192 4.606 8.958 281 1HB PHE 36 HB2 PHE 36 115.704 4.415 9.264 282 2HB PHE 36 HB1 PHE 36 116.450 5.761 10.098 283 HD1 PHE 36 HD1 PHE 36 115.800 8.013 9.615 284 HD2 PHE 36 HD2 PHE 36 114.290 4.797 7.268 285 HE1 PHE 36 HE1 PHE 36 114.135 9.523 8.619 286 HE2 PHE 36 HE2 PHE 36 112.626 6.305 6.270 287 HZ PHE 36 HZ PHE 36 112.549 8.670 6.942 288 H SER 37 HN SER 37 118.817 5.066 6.119 289 HA SER 37 HA SER 37 117.015 3.169 4.823 290 1HB SER 37 HB2 SER 37 117.702 5.309 3.671 291 2HB SER 37 HB1 SER 37 119.364 4.733 3.675 292 HG SER 37 HG SER 37 117.348 3.132 2.577 293 H GLU 38 HN GLU 38 119.339 2.946 6.873 294 HA GLU 38 HA GLU 38 121.512 1.482 6.058 295 1HB GLU 38 HB2 GLU 38 121.588 0.689 8.403 296 2HB GLU 38 HB1 GLU 38 121.315 2.422 8.250 297 1HG GLU 38 HG2 GLU 38 118.894 2.031 8.578 298 2HG GLU 38 HG1 GLU 38 119.239 0.328 8.846 299 H GLU 39 HN GLU 39 118.250 0.403 6.496 300 HA GLU 39 HA GLU 39 118.527 -2.323 6.890 301 1HB GLU 39 HB2 GLU 39 116.209 -2.406 5.838 302 2HB GLU 39 HB1 GLU 39 116.421 -1.389 7.257 303 1HG GLU 39 HG2 GLU 39 116.666 0.569 5.756 304 2HG GLU 39 HG1 GLU 39 116.299 -0.484 4.393 305 H ASN 40 HN ASN 40 118.974 -0.501 3.999 306 HA ASN 40 HA ASN 40 118.785 -2.736 2.175 307 1HB ASN 40 HB2 ASN 40 119.904 0.040 1.876 308 2HB ASN 40 HB1 ASN 40 119.908 -1.140 0.584 309 1HD2 ASN 40 HD21 ASN 40 118.713 0.113 -0.701 310 2HD2 ASN 40 HD22 ASN 40 117.042 0.489 -0.457 311 H ILE 41 HN ILE 41 121.349 -0.927 3.748 312 HA ILE 41 HA ILE 41 123.515 -2.147 2.383 313 HB ILE 41 HB ILE 41 123.399 0.098 3.862 314 1HG1 ILE 41 HG12 ILE 41 125.896 0.050 4.215 315 2HG1 ILE 41 HG11 ILE 41 125.867 -1.638 3.674 316 1HG2 ILE 41 HG21 ILE 41 124.307 -0.004 6.075 317 2HG2 ILE 41 HG22 ILE 41 124.556 -1.731 5.933 318 3HG2 ILE 41 HG23 ILE 41 122.951 -1.144 6.076 319 1HD1 ILE 41 HD11 ILE 41 126.546 -0.074 1.959 320 2HD1 ILE 41 HD12 ILE 41 125.046 0.814 2.150 321 3HD1 ILE 41 HD13 ILE 41 125.016 -0.841 1.523 322 H GLU 42 HN GLU 42 121.877 -2.681 5.419 323 HA GLU 42 HA GLU 42 123.372 -4.934 6.225 324 1HB GLU 42 HB2 GLU 42 120.986 -3.460 7.134 325 2HB GLU 42 HB1 GLU 42 121.115 -5.128 7.645 326 1HG GLU 42 HG2 GLU 42 121.932 -3.307 9.146 327 2HG GLU 42 HG1 GLU 42 123.124 -4.673 8.901 328 H PHE 43 HN PHE 43 120.619 -4.476 4.131 329 HA PHE 43 HA PHE 43 119.418 -6.968 4.174 330 1HB PHE 43 HB2 PHE 43 118.427 -5.067 3.040 331 2HB PHE 43 HB1 PHE 43 119.769 -4.989 1.917 332 HD1 PHE 43 HD1 PHE 43 119.795 -6.307 -0.026 333 HD2 PHE 43 HD2 PHE 43 116.796 -6.908 2.900 334 HE1 PHE 43 HE1 PHE 43 118.524 -7.665 -1.618 335 HE2 PHE 43 HE2 PHE 43 115.512 -8.267 1.306 336 HZ PHE 43 HZ PHE 43 116.395 -8.648 -0.973 337 H TRP 44 HN TRP 44 121.953 -5.843 1.849 338 HA TRP 44 HA TRP 44 122.258 -8.637 1.335 339 1HB TRP 44 HB2 TRP 44 124.293 -8.020 -0.211 340 2HB TRP 44 HB1 TRP 44 122.641 -7.797 -0.735 341 HD1 TRP 44 HD1 TRP 44 122.310 -5.656 -1.945 342 HE1 TRP 44 HE1 TRP 44 123.376 -3.374 -1.955 343 HE3 TRP 44 HE3 TRP 44 125.676 -6.432 1.788 344 HZ2 TRP 44 HZ2 TRP 44 125.413 -2.019 -0.437 345 HZ3 TRP 44 HZ3 TRP 44 127.148 -4.599 2.457 346 HH2 TRP 44 HH2 TRP 44 127.017 -2.442 1.365 347 H ILE 45 HN ILE 45 123.819 -6.605 3.420 348 HA ILE 45 HA ILE 45 126.077 -8.164 3.975 349 HB ILE 45 HB ILE 45 124.335 -6.437 5.736 350 1HG1 ILE 45 HG12 ILE 45 127.196 -6.184 4.802 351 2HG1 ILE 45 HG11 ILE 45 125.802 -5.350 4.130 352 1HG2 ILE 45 HG21 ILE 45 125.149 -8.245 7.192 353 2HG2 ILE 45 HG22 ILE 45 125.772 -6.665 7.618 354 3HG2 ILE 45 HG23 ILE 45 126.817 -7.819 6.766 355 1HD1 ILE 45 HD11 ILE 45 125.500 -4.199 6.278 356 2HD1 ILE 45 HD12 ILE 45 127.074 -3.873 5.546 357 3HD1 ILE 45 HD13 ILE 45 126.938 -5.009 6.888 358 H ALA 46 HN ALA 46 122.738 -8.511 5.080 359 HA ALA 46 HA ALA 46 123.058 -10.822 6.640 360 1HB ALA 46 HB1 ALA 46 120.670 -9.907 5.023 361 2HB ALA 46 HB2 ALA 46 120.959 -9.585 6.742 362 3HB ALA 46 HB3 ALA 46 120.663 -11.236 6.160 363 H CYS 47 HN CYS 47 122.370 -10.364 3.214 364 HA CYS 47 HA CYS 47 121.991 -13.132 2.755 365 1HB CYS 47 HB2 CYS 47 122.335 -10.889 0.793 366 2HB CYS 47 HB1 CYS 47 121.790 -12.522 0.406 367 HG CYS 47 HG CYS 47 120.174 -10.006 1.905 368 H GLU 48 HN GLU 48 124.846 -11.069 2.383 369 HA GLU 48 HA GLU 48 126.235 -13.149 1.001 370 1HB GLU 48 HB2 GLU 48 127.539 -10.840 2.508 371 2HB GLU 48 HB1 GLU 48 128.234 -11.905 1.276 372 1HG GLU 48 HG2 GLU 48 126.028 -9.947 0.763 373 2HG GLU 48 HG1 GLU 48 127.734 -9.694 0.398 374 H ASP 49 HN ASP 49 126.047 -12.047 4.361 375 HA ASP 49 HA ASP 49 127.844 -13.959 5.424 376 1HB ASP 49 HB2 ASP 49 127.067 -11.935 6.653 377 2HB ASP 49 HB1 ASP 49 125.474 -12.668 6.801 378 H PHE 50 HN PHE 50 124.504 -14.037 4.627 379 HA PHE 50 HA PHE 50 123.680 -16.484 5.623 380 1HB PHE 50 HB2 PHE 50 122.016 -15.128 4.693 381 2HB PHE 50 HB1 PHE 50 122.955 -14.795 3.254 382 HD1 PHE 50 HD1 PHE 50 120.874 -17.279 4.935 383 HD2 PHE 50 HD2 PHE 50 122.701 -16.083 1.325 384 HE1 PHE 50 HE1 PHE 50 119.552 -18.952 3.714 385 HE2 PHE 50 HE2 PHE 50 121.387 -17.739 0.088 386 HZ PHE 50 HZ PHE 50 119.807 -19.179 1.288 387 H LYS 51 HN LYS 51 125.322 -15.706 2.603 388 HA LYS 51 HA LYS 51 125.495 -18.317 1.514 389 1HB LYS 51 HB2 LYS 51 127.382 -15.981 1.161 390 2HB LYS 51 HB1 LYS 51 127.298 -17.402 0.127 391 1HG LYS 51 HG2 LYS 51 125.081 -16.790 -0.588 392 2HG LYS 51 HG1 LYS 51 125.067 -15.434 0.539 393 1HD LYS 51 HD2 LYS 51 126.866 -14.372 -0.648 394 2HD LYS 51 HD1 LYS 51 127.035 -15.770 -1.711 395 1HE LYS 51 HE2 LYS 51 125.845 -14.053 -2.869 396 2HE LYS 51 HE1 LYS 51 124.752 -15.382 -2.525 397 1HZ LYS 51 HZ1 LYS 51 124.913 -12.808 -1.064 398 2HZ LYS 51 HZ2 LYS 51 123.770 -14.039 -0.715 399 3HZ LYS 51 HZ3 LYS 51 123.780 -13.237 -2.202 400 H LYS 52 HN LYS 52 127.372 -16.605 3.846 401 HA LYS 52 HA LYS 52 129.620 -18.321 3.938 402 1HB LYS 52 HB2 LYS 52 128.490 -16.284 5.796 403 2HB LYS 52 HB1 LYS 52 129.704 -17.401 6.412 404 1HG LYS 52 HG2 LYS 52 130.611 -15.245 5.834 405 2HG LYS 52 HG1 LYS 52 131.339 -16.501 4.837 406 1HD LYS 52 HD2 LYS 52 129.076 -14.740 3.887 407 2HD LYS 52 HD1 LYS 52 130.756 -14.229 3.777 408 1HE LYS 52 HE2 LYS 52 129.567 -16.693 2.498 409 2HE LYS 52 HE1 LYS 52 129.925 -15.180 1.669 410 1HZ LYS 52 HZ1 LYS 52 132.268 -15.499 2.232 411 2HZ LYS 52 HZ2 LYS 52 131.655 -16.763 1.290 412 3HZ LYS 52 HZ3 LYS 52 131.916 -16.991 2.944 413 H SER 53 HN SER 53 126.437 -18.559 5.403 414 HA SER 53 HA SER 53 127.066 -20.457 7.434 415 1HB SER 53 HB2 SER 53 124.452 -19.975 5.997 416 2HB SER 53 HB1 SER 53 124.679 -20.880 7.497 417 HG SER 53 HG SER 53 125.810 -18.494 7.796 418 H LYS 54 HN LYS 54 127.539 -22.350 7.371 419 HA LYS 54 HA LYS 54 127.541 -23.694 4.815 420 1HB LYS 54 HB2 LYS 54 129.685 -23.333 5.887 421 2HB LYS 54 HB1 LYS 54 129.112 -24.129 7.341 422 1HG LYS 54 HG2 LYS 54 130.507 -25.617 6.148 423 2HG LYS 54 HG1 LYS 54 128.810 -26.139 6.089 424 1HD LYS 54 HD2 LYS 54 128.560 -25.426 3.841 425 2HD LYS 54 HD1 LYS 54 130.112 -24.575 3.860 426 1HE LYS 54 HE2 LYS 54 130.298 -26.642 2.607 427 2HE LYS 54 HE1 LYS 54 131.252 -26.743 4.082 428 1HZ LYS 54 HZ1 LYS 54 129.512 -28.105 5.082 429 2HZ LYS 54 HZ2 LYS 54 130.000 -28.765 3.609 430 3HZ LYS 54 HZ3 LYS 54 128.553 -27.900 3.697 431 H GLY 55 HN GLY 55 125.872 -24.889 4.622 432 1HA GLY 55 HA2 GLY 55 125.312 -27.254 5.543 433 2HA GLY 55 HA1 GLY 55 124.700 -26.299 6.898 434 HA PRO 56 HA PRO 56 122.101 -26.043 2.799 435 1HB PRO 56 HB2 PRO 56 121.047 -28.781 3.094 436 2HB PRO 56 HB1 PRO 56 121.644 -27.943 1.656 437 1HG PRO 56 HG2 PRO 56 123.046 -29.910 2.852 438 2HG PRO 56 HG1 PRO 56 123.827 -28.541 2.040 439 1HD PRO 56 HD2 PRO 56 123.397 -29.018 4.961 440 2HD PRO 56 HD1 PRO 56 124.802 -28.320 4.123 441 H GLN 57 HN GLN 57 121.310 -27.682 5.868 442 HA GLN 57 HA GLN 57 118.511 -26.994 5.695 443 1HB GLN 57 HB2 GLN 57 120.138 -27.759 8.135 444 2HB GLN 57 HB1 GLN 57 118.391 -27.614 8.085 445 1HG GLN 57 HG2 GLN 57 118.359 -29.463 6.423 446 2HG GLN 57 HG1 GLN 57 120.095 -29.648 6.679 447 1HE2 GLN 57 HE21 GLN 57 119.881 -31.693 7.490 448 2HE2 GLN 57 HE22 GLN 57 119.225 -32.039 9.057 449 H GLN 58 HN GLN 58 121.411 -25.731 7.059 450 HA GLN 58 HA GLN 58 120.388 -23.634 8.600 451 1HB GLN 58 HB2 GLN 58 122.734 -24.510 8.659 452 2HB GLN 58 HB1 GLN 58 123.023 -23.738 7.110 453 1HG GLN 58 HG2 GLN 58 123.945 -22.423 8.902 454 2HG GLN 58 HG1 GLN 58 122.620 -21.557 8.130 455 1HE2 GLN 58 HE21 GLN 58 122.126 -24.203 10.388 456 2HE2 GLN 58 HE22 GLN 58 121.446 -23.231 11.640 457 H ILE 59 HN ILE 59 121.180 -23.916 5.204 458 HA ILE 59 HA ILE 59 120.921 -21.296 4.304 459 HB ILE 59 HB ILE 59 119.888 -23.737 2.849 460 1HG1 ILE 59 HG12 ILE 59 122.177 -24.197 3.480 461 2HG1 ILE 59 HG11 ILE 59 122.108 -23.870 1.759 462 1HG2 ILE 59 HG21 ILE 59 120.337 -22.484 0.807 463 2HG2 ILE 59 HG22 ILE 59 120.846 -21.101 1.784 464 3HG2 ILE 59 HG23 ILE 59 119.180 -21.668 1.867 465 1HD1 ILE 59 HD11 ILE 59 123.019 -21.649 2.140 466 2HD1 ILE 59 HD12 ILE 59 124.044 -22.927 2.818 467 3HD1 ILE 59 HD13 ILE 59 123.026 -21.961 3.887 468 H HIS 60 HN HIS 60 118.472 -23.783 4.677 469 HA HIS 60 HA HIS 60 116.217 -22.473 3.648 470 1HB HIS 60 HB2 HIS 60 116.348 -24.518 5.858 471 2HB HIS 60 HB1 HIS 60 114.835 -23.920 5.203 472 HD1 HIS 60 HD1 HIS 60 114.091 -24.837 2.950 473 HD2 HIS 60 HD2 HIS 60 117.812 -26.175 4.127 474 HE1 HIS 60 HE1 HIS 60 114.643 -26.728 1.374 475 HE2 HIS 60 HE2 HIS 60 117.095 -27.100 1.859 476 H LEU 61 HN LEU 61 117.143 -22.713 7.029 477 HA LEU 61 HA LEU 61 115.064 -21.032 7.908 478 1HB LEU 61 HB2 LEU 61 116.190 -21.146 10.097 479 2HB LEU 61 HB1 LEU 61 115.904 -22.694 9.333 480 HG LEU 61 HG LEU 61 118.437 -22.144 8.534 481 1HD1 LEU 61 HD11 LEU 61 118.172 -21.132 11.348 482 2HD1 LEU 61 HD12 LEU 61 118.628 -20.197 9.923 483 3HD1 LEU 61 HD13 LEU 61 119.691 -21.473 10.516 484 1HD2 LEU 61 HD21 LEU 61 119.090 -23.839 10.196 485 2HD2 LEU 61 HD22 LEU 61 117.642 -24.255 9.280 486 3HD2 LEU 61 HD23 LEU 61 117.492 -23.685 10.949 487 H LYS 62 HN LYS 62 118.424 -20.401 7.158 488 HA LYS 62 HA LYS 62 118.401 -17.710 8.053 489 1HB LYS 62 HB2 LYS 62 120.167 -19.145 6.073 490 2HB LYS 62 HB1 LYS 62 120.368 -17.445 6.446 491 1HG LYS 62 HG2 LYS 62 120.549 -19.677 8.460 492 2HG LYS 62 HG1 LYS 62 121.929 -18.929 7.652 493 1HD LYS 62 HD2 LYS 62 121.269 -16.752 8.602 494 2HD LYS 62 HD1 LYS 62 119.940 -17.540 9.448 495 1HE LYS 62 HE2 LYS 62 121.808 -17.218 10.950 496 2HE LYS 62 HE1 LYS 62 121.563 -18.939 10.658 497 1HZ LYS 62 HZ1 LYS 62 123.460 -18.853 9.070 498 2HZ LYS 62 HZ2 LYS 62 123.911 -18.326 10.607 499 3HZ LYS 62 HZ3 LYS 62 123.625 -17.215 9.399 500 H ALA 63 HN ALA 63 117.732 -19.197 4.899 501 HA ALA 63 HA ALA 63 117.361 -16.783 3.512 502 1HB ALA 63 HB1 ALA 63 116.004 -19.404 2.876 503 2HB ALA 63 HB2 ALA 63 117.670 -19.047 2.427 504 3HB ALA 63 HB3 ALA 63 116.371 -18.108 1.723 505 H LYS 64 HN LYS 64 115.054 -18.956 5.054 506 HA LYS 64 HA LYS 64 112.700 -17.526 4.625 507 1HB LYS 64 HB2 LYS 64 113.562 -19.311 6.875 508 2HB LYS 64 HB1 LYS 64 111.984 -18.545 6.882 509 1HG LYS 64 HG2 LYS 64 112.940 -20.269 4.615 510 2HG LYS 64 HG1 LYS 64 112.100 -20.915 6.026 511 1HD LYS 64 HD2 LYS 64 110.195 -19.423 5.553 512 2HD LYS 64 HD1 LYS 64 111.036 -18.823 4.122 513 1HE LYS 64 HE2 LYS 64 110.954 -20.969 3.086 514 2HE LYS 64 HE1 LYS 64 110.362 -21.723 4.562 515 1HZ LYS 64 HZ1 LYS 64 108.304 -20.512 4.337 516 2HZ LYS 64 HZ2 LYS 64 108.611 -21.360 2.903 517 3HZ LYS 64 HZ3 LYS 64 108.817 -19.717 2.954 518 H ALA 65 HN ALA 65 115.095 -17.106 7.170 519 HA ALA 65 HA ALA 65 113.689 -15.241 8.729 520 1HB ALA 65 HB1 ALA 65 115.682 -16.414 9.540 521 2HB ALA 65 HB2 ALA 65 115.856 -14.666 9.708 522 3HB ALA 65 HB3 ALA 65 116.677 -15.514 8.397 523 H ILE 66 HN ILE 66 116.121 -14.731 6.207 524 HA ILE 66 HA ILE 66 115.961 -11.895 6.253 525 HB ILE 66 HB ILE 66 116.987 -13.768 4.091 526 1HG1 ILE 66 HG12 ILE 66 118.486 -12.191 6.196 527 2HG1 ILE 66 HG11 ILE 66 118.128 -13.910 6.290 528 1HG2 ILE 66 HG21 ILE 66 116.503 -11.672 3.063 529 2HG2 ILE 66 HG22 ILE 66 118.264 -11.753 3.308 530 3HG2 ILE 66 HG23 ILE 66 117.266 -10.782 4.387 531 1HD1 ILE 66 HD11 ILE 66 119.588 -14.385 4.458 532 2HD1 ILE 66 HD12 ILE 66 120.444 -13.269 5.561 533 3HD1 ILE 66 HD13 ILE 66 119.729 -12.666 4.085 534 H TYR 67 HN TYR 67 114.483 -14.375 4.303 535 HA TYR 67 HA TYR 67 113.101 -12.921 2.398 536 1HB TYR 67 HB2 TYR 67 113.252 -15.285 2.266 537 2HB TYR 67 HB1 TYR 67 112.508 -15.490 3.842 538 HD1 TYR 67 HD1 TYR 67 111.746 -14.015 0.530 539 HD2 TYR 67 HD2 TYR 67 110.351 -16.151 3.897 540 HE1 TYR 67 HE1 TYR 67 109.610 -14.243 -0.553 541 HE2 TYR 67 HE2 TYR 67 108.172 -16.444 2.844 542 HH TYR 67 HH TYR 67 106.810 -15.519 1.172 543 H GLU 68 HN GLU 68 111.820 -14.038 5.545 544 HA GLU 68 HA GLU 68 109.398 -12.609 5.130 545 1HB GLU 68 HB2 GLU 68 110.440 -13.952 7.604 546 2HB GLU 68 HB1 GLU 68 108.806 -13.342 7.381 547 1HG GLU 68 HG2 GLU 68 108.539 -14.890 5.466 548 2HG GLU 68 HG1 GLU 68 110.127 -15.558 5.827 549 H LYS 69 HN LYS 69 112.373 -11.724 6.440 550 HA LYS 69 HA LYS 69 111.312 -9.576 8.069 551 1HB LYS 69 HB2 LYS 69 113.289 -10.910 8.742 552 2HB LYS 69 HB1 LYS 69 114.158 -10.290 7.357 553 1HG LYS 69 HG2 LYS 69 114.190 -8.094 8.283 554 2HG LYS 69 HG1 LYS 69 113.141 -8.583 9.631 555 1HD LYS 69 HD2 LYS 69 114.920 -10.269 10.239 556 2HD LYS 69 HD1 LYS 69 115.952 -9.513 9.031 557 1HE LYS 69 HE2 LYS 69 114.763 -8.089 11.412 558 2HE LYS 69 HE1 LYS 69 116.384 -8.764 11.368 559 1HZ LYS 69 HZ1 LYS 69 115.371 -6.559 9.632 560 2HZ LYS 69 HZ2 LYS 69 116.945 -7.224 9.609 561 3HZ LYS 69 HZ3 LYS 69 116.402 -6.410 10.951 562 H PHE 70 HN PHE 70 112.296 -9.982 4.762 563 HA PHE 70 HA PHE 70 112.493 -7.069 4.443 564 1HB PHE 70 HB2 PHE 70 114.500 -9.075 3.427 565 2HB PHE 70 HB1 PHE 70 114.397 -7.422 2.859 566 HD1 PHE 70 HD1 PHE 70 115.731 -9.644 5.310 567 HD2 PHE 70 HD2 PHE 70 114.820 -5.568 4.525 568 HE1 PHE 70 HE1 PHE 70 117.313 -8.957 7.062 569 HE2 PHE 70 HE2 PHE 70 116.399 -4.872 6.276 570 HZ PHE 70 HZ PHE 70 117.648 -6.567 7.545 571 H ILE 71 HN ILE 71 112.681 -10.108 2.645 572 HA ILE 71 HA ILE 71 111.946 -9.061 0.146 573 HB ILE 71 HB ILE 71 111.924 -11.896 1.204 574 1HG1 ILE 71 HG12 ILE 71 114.112 -10.899 1.259 575 2HG1 ILE 71 HG11 ILE 71 114.060 -12.123 -0.001 576 1HG2 ILE 71 HG21 ILE 71 112.230 -12.463 -1.297 577 2HG2 ILE 71 HG22 ILE 71 111.324 -10.969 -1.578 578 3HG2 ILE 71 HG23 ILE 71 110.628 -12.300 -0.618 579 1HD1 ILE 71 HD11 ILE 71 113.825 -10.368 -1.686 580 2HD1 ILE 71 HD12 ILE 71 115.286 -10.157 -0.725 581 3HD1 ILE 71 HD13 ILE 71 113.874 -9.146 -0.420 582 H GLN 72 HN GLN 72 110.136 -10.050 2.807 583 HA GLN 72 HA GLN 72 107.705 -10.630 1.467 584 1HB GLN 72 HB2 GLN 72 108.415 -10.081 4.280 585 2HB GLN 72 HB1 GLN 72 106.711 -10.161 3.754 586 1HG GLN 72 HG2 GLN 72 108.681 -12.169 3.058 587 2HG GLN 72 HG1 GLN 72 107.817 -12.215 4.648 588 1HE2 GLN 72 HE21 GLN 72 107.668 -12.558 1.171 589 2HE2 GLN 72 HE22 GLN 72 106.093 -13.240 1.078 590 H THR 73 HN THR 73 105.925 -9.567 1.370 591 HA THR 73 HA THR 73 106.073 -6.708 0.963 592 HB THR 73 HB THR 73 103.588 -8.423 1.089 593 HG1 THR 73 HG1 THR 73 103.954 -9.119 -0.849 594 1HG2 THR 73 HG21 THR 73 104.314 -5.924 -0.419 595 2HG2 THR 73 HG22 THR 73 103.284 -6.061 1.015 596 3HG2 THR 73 HG23 THR 73 102.756 -6.775 -0.519 597 H ASP 74 HN ASP 74 104.377 -8.967 2.980 598 HA ASP 74 HA ASP 74 103.930 -6.992 5.069 599 1HB ASP 74 HB2 ASP 74 102.142 -8.638 4.540 600 2HB ASP 74 HB1 ASP 74 103.238 -9.945 4.962 601 H ALA 75 HN ALA 75 106.036 -6.582 5.593 602 HA ALA 75 HA ALA 75 107.408 -8.633 7.148 603 1HB ALA 75 HB1 ALA 75 109.551 -7.817 6.190 604 2HB ALA 75 HB2 ALA 75 108.662 -7.021 4.883 605 3HB ALA 75 HB3 ALA 75 108.573 -8.792 5.100 606 HA PRO 76 HA PRO 76 107.986 -5.267 9.968 607 1HB PRO 76 HB2 PRO 76 110.514 -5.836 10.905 608 2HB PRO 76 HB1 PRO 76 109.047 -6.653 11.457 609 1HG PRO 76 HG2 PRO 76 111.065 -7.538 9.434 610 2HG PRO 76 HG1 PRO 76 110.255 -8.488 10.699 611 1HD PRO 76 HD2 PRO 76 109.505 -8.586 8.131 612 2HD PRO 76 HD1 PRO 76 108.312 -8.705 9.433 613 H LYS 77 HN LYS 77 110.419 -5.943 7.541 614 HA LYS 77 HA LYS 77 111.288 -3.155 7.757 615 1HB LYS 77 HB2 LYS 77 112.743 -5.557 6.719 616 2HB LYS 77 HB1 LYS 77 113.234 -3.932 6.274 617 1HG LYS 77 HG2 LYS 77 112.988 -4.802 9.141 618 2HG LYS 77 HG1 LYS 77 114.453 -5.064 8.197 619 1HD LYS 77 HD2 LYS 77 114.732 -3.034 9.457 620 2HD LYS 77 HD1 LYS 77 114.544 -2.605 7.765 621 1HE LYS 77 HE2 LYS 77 112.147 -2.094 8.238 622 2HE LYS 77 HE1 LYS 77 112.470 -2.399 9.944 623 1HZ LYS 77 HZ1 LYS 77 112.588 -0.033 9.430 624 2HZ LYS 77 HZ2 LYS 77 113.764 -0.339 8.261 625 3HZ LYS 77 HZ3 LYS 77 114.119 -0.593 9.880 626 H GLU 78 HN GLU 78 110.692 -5.623 5.316 627 HA GLU 78 HA GLU 78 109.837 -5.586 3.282 628 1HB GLU 78 HB2 GLU 78 109.142 -2.682 3.812 629 2HB GLU 78 HB1 GLU 78 108.669 -3.554 2.367 630 1HG GLU 78 HG2 GLU 78 107.288 -5.030 3.664 631 2HG GLU 78 HG1 GLU 78 107.849 -4.283 5.163 632 H VAL 79 HN VAL 79 110.419 -4.647 1.049 633 HA VAL 79 HA VAL 79 112.835 -2.980 1.109 634 HB VAL 79 HB VAL 79 112.681 -5.657 -0.367 635 1HG1 VAL 79 HG11 VAL 79 114.940 -3.673 -0.248 636 2HG1 VAL 79 HG12 VAL 79 113.936 -4.032 -1.656 637 3HG1 VAL 79 HG13 VAL 79 115.003 -5.273 -0.990 638 1HG2 VAL 79 HG21 VAL 79 114.479 -4.851 1.915 639 2HG2 VAL 79 HG22 VAL 79 114.502 -6.399 1.067 640 3HG2 VAL 79 HG23 VAL 79 113.097 -5.940 2.018 641 H ASN 80 HN ASN 80 113.174 -1.803 -0.823 642 HA ASN 80 HA ASN 80 110.848 -1.315 -2.511 643 1HB ASN 80 HB2 ASN 80 113.675 -0.207 -2.580 644 2HB ASN 80 HB1 ASN 80 112.400 0.305 -3.675 645 1HD2 ASN 80 HD21 ASN 80 113.637 0.422 -0.445 646 2HD2 ASN 80 HD22 ASN 80 112.601 1.688 0.110 647 H LEU 81 HN LEU 81 111.861 -3.875 -2.645 648 HA LEU 81 HA LEU 81 113.632 -4.327 -4.837 649 1HB LEU 81 HB2 LEU 81 113.608 -5.704 -2.933 650 2HB LEU 81 HB1 LEU 81 111.908 -6.144 -3.149 651 HG LEU 81 HG LEU 81 112.758 -7.214 -5.343 652 1HD1 LEU 81 HD11 LEU 81 115.334 -6.827 -3.878 653 2HD1 LEU 81 HD12 LEU 81 114.886 -6.089 -5.423 654 3HD1 LEU 81 HD13 LEU 81 115.097 -7.841 -5.284 655 1HD2 LEU 81 HD21 LEU 81 113.659 -8.307 -2.677 656 2HD2 LEU 81 HD22 LEU 81 113.467 -9.225 -4.165 657 3HD2 LEU 81 HD23 LEU 81 112.061 -8.499 -3.394 658 H ASP 82 HN ASP 82 113.121 -5.021 -6.822 659 HA ASP 82 HA ASP 82 110.755 -4.511 -8.138 660 1HB ASP 82 HB2 ASP 82 112.663 -4.841 -9.463 661 2HB ASP 82 HB1 ASP 82 113.060 -6.363 -8.677 662 H PHE 83 HN PHE 83 108.899 -5.525 -8.375 663 HA PHE 83 HA PHE 83 108.030 -7.444 -6.597 664 1HB PHE 83 HB2 PHE 83 106.464 -5.966 -7.666 665 2HB PHE 83 HB1 PHE 83 106.833 -6.647 -9.247 666 HD1 PHE 83 HD1 PHE 83 105.414 -8.239 -10.102 667 HD2 PHE 83 HD2 PHE 83 105.635 -7.730 -5.886 668 HE1 PHE 83 HE1 PHE 83 103.632 -9.902 -9.810 669 HE2 PHE 83 HE2 PHE 83 103.854 -9.392 -5.592 670 HZ PHE 83 HZ PHE 83 102.852 -10.481 -7.553 671 H HIS 84 HN HIS 84 109.139 -7.946 -9.934 672 HA HIS 84 HA HIS 84 108.357 -10.673 -9.928 673 1HB HIS 84 HB2 HIS 84 108.690 -9.522 -12.060 674 2HB HIS 84 HB1 HIS 84 110.398 -9.300 -11.699 675 HD1 HIS 84 HD1 HIS 84 107.971 -12.239 -12.144 676 HD2 HIS 84 HD2 HIS 84 111.970 -11.255 -12.741 677 HE1 HIS 84 HE1 HIS 84 109.001 -14.235 -13.230 678 HE2 HIS 84 HE2 HIS 84 111.453 -13.740 -13.196 679 H THR 85 HN THR 85 111.287 -9.060 -8.999 680 HA THR 85 HA THR 85 112.858 -11.351 -8.680 681 HB THR 85 HB THR 85 113.018 -8.711 -7.213 682 HG1 THR 85 HG1 THR 85 113.118 -8.540 -9.525 683 1HG2 THR 85 HG21 THR 85 115.410 -9.301 -6.963 684 2HG2 THR 85 HG22 THR 85 115.092 -10.888 -7.655 685 3HG2 THR 85 HG23 THR 85 114.375 -10.427 -6.108 686 H LYS 86 HN LYS 86 110.927 -9.520 -6.285 687 HA LYS 86 HA LYS 86 111.392 -11.398 -4.221 688 1HB LYS 86 HB2 LYS 86 109.490 -10.292 -3.000 689 2HB LYS 86 HB1 LYS 86 110.755 -9.217 -3.566 690 1HG LYS 86 HG2 LYS 86 109.304 -8.604 -5.481 691 2HG LYS 86 HG1 LYS 86 108.017 -9.562 -4.745 692 1HD LYS 86 HD2 LYS 86 109.430 -7.324 -3.301 693 2HD LYS 86 HD1 LYS 86 107.978 -7.073 -4.265 694 1HE LYS 86 HE2 LYS 86 108.130 -9.023 -1.966 695 2HE LYS 86 HE1 LYS 86 107.619 -7.347 -1.780 696 1HZ LYS 86 HZ1 LYS 86 106.253 -9.431 -3.441 697 2HZ LYS 86 HZ2 LYS 86 105.859 -7.779 -3.401 698 3HZ LYS 86 HZ3 LYS 86 105.697 -8.696 -2.015 699 H GLU 87 HN GLU 87 108.992 -11.171 -6.660 700 HA GLU 87 HA GLU 87 107.199 -13.154 -5.943 701 1HB GLU 87 HB2 GLU 87 106.843 -11.827 -7.917 702 2HB GLU 87 HB1 GLU 87 108.306 -12.451 -8.659 703 1HG GLU 87 HG2 GLU 87 107.300 -14.667 -8.746 704 2HG GLU 87 HG1 GLU 87 105.799 -14.011 -8.072 705 H VAL 88 HN VAL 88 110.226 -13.560 -7.782 706 HA VAL 88 HA VAL 88 110.029 -16.349 -8.007 707 HB VAL 88 HB VAL 88 112.574 -14.691 -7.964 708 1HG1 VAL 88 HG11 VAL 88 113.011 -17.071 -7.681 709 2HG1 VAL 88 HG12 VAL 88 113.529 -16.542 -9.286 710 3HG1 VAL 88 HG13 VAL 88 112.014 -17.432 -9.089 711 1HG2 VAL 88 HG21 VAL 88 112.364 -14.673 -10.409 712 2HG2 VAL 88 HG22 VAL 88 110.978 -13.899 -9.630 713 3HG2 VAL 88 HG23 VAL 88 110.825 -15.525 -10.273 714 H ILE 89 HN ILE 89 111.515 -14.314 -5.577 715 HA ILE 89 HA ILE 89 112.685 -16.373 -4.065 716 HB ILE 89 HB ILE 89 111.694 -13.713 -2.996 717 1HG1 ILE 89 HG12 ILE 89 114.414 -14.404 -4.132 718 2HG1 ILE 89 HG11 ILE 89 113.181 -13.484 -4.987 719 1HG2 ILE 89 HG21 ILE 89 113.497 -14.029 -1.327 720 2HG2 ILE 89 HG22 ILE 89 113.831 -15.626 -2.004 721 3HG2 ILE 89 HG23 ILE 89 112.276 -15.292 -1.236 722 1HD1 ILE 89 HD11 ILE 89 114.755 -11.943 -4.082 723 2HD1 ILE 89 HD12 ILE 89 114.653 -12.712 -2.497 724 3HD1 ILE 89 HD13 ILE 89 113.275 -11.821 -3.114 725 H THR 90 HN THR 90 109.478 -14.812 -3.825 726 HA THR 90 HA THR 90 108.668 -16.185 -1.522 727 HB THR 90 HB THR 90 106.312 -15.653 -2.154 728 HG1 THR 90 HG1 THR 90 107.528 -15.115 -4.637 729 1HG2 THR 90 HG21 THR 90 106.531 -13.205 -2.232 730 2HG2 THR 90 HG22 THR 90 108.242 -13.375 -2.639 731 3HG2 THR 90 HG23 THR 90 107.653 -13.915 -1.072 732 H ASN 91 HN ASN 91 108.694 -17.202 -4.838 733 HA ASN 91 HA ASN 91 107.067 -19.542 -4.358 734 1HB ASN 91 HB2 ASN 91 108.631 -18.672 -6.789 735 2HB ASN 91 HB1 ASN 91 107.793 -20.210 -6.699 736 1HD2 ASN 91 HD21 ASN 91 107.471 -16.790 -7.105 737 2HD2 ASN 91 HD22 ASN 91 105.799 -16.809 -7.490 738 H SER 92 HN SER 92 110.508 -18.900 -4.921 739 HA SER 92 HA SER 92 111.022 -21.746 -4.595 740 1HB SER 92 HB2 SER 92 112.771 -19.543 -5.658 741 2HB SER 92 HB1 SER 92 113.182 -21.261 -5.621 742 HG SER 92 HG SER 92 110.993 -21.410 -6.752 743 H ILE 93 HN ILE 93 110.749 -19.479 -2.384 744 HA ILE 93 HA ILE 93 113.277 -19.562 -1.052 745 HB ILE 93 HB ILE 93 111.478 -17.813 -0.649 746 1HG1 ILE 93 HG12 ILE 93 111.862 -17.676 1.846 747 2HG1 ILE 93 HG11 ILE 93 112.668 -19.240 1.733 748 1HG2 ILE 93 HG21 ILE 93 109.691 -18.284 0.943 749 2HG2 ILE 93 HG22 ILE 93 110.222 -19.970 1.011 750 3HG2 ILE 93 HG23 ILE 93 109.588 -19.324 -0.489 751 1HD1 ILE 93 HD11 ILE 93 114.333 -17.507 1.725 752 2HD1 ILE 93 HD12 ILE 93 113.500 -16.649 0.447 753 3HD1 ILE 93 HD13 ILE 93 114.266 -18.210 0.105 754 H THR 94 HN THR 94 110.581 -21.620 -1.226 755 HA THR 94 HA THR 94 110.878 -23.326 0.948 756 HB THR 94 HB THR 94 108.926 -23.480 -0.458 757 HG1 THR 94 HG1 THR 94 109.245 -25.847 -1.202 758 1HG2 THR 94 HG21 THR 94 109.927 -22.822 -2.577 759 2HG2 THR 94 HG22 THR 94 109.011 -24.318 -2.764 760 3HG2 THR 94 HG23 THR 94 110.773 -24.366 -2.675 761 H GLN 95 HN GLN 95 112.760 -23.102 -2.014 762 HA GLN 95 HA GLN 95 114.510 -25.175 -1.019 763 1HB GLN 95 HB2 GLN 95 113.495 -24.943 -3.869 764 2HB GLN 95 HB1 GLN 95 114.870 -25.931 -3.400 765 1HG GLN 95 HG2 GLN 95 113.451 -27.305 -2.004 766 2HG GLN 95 HG1 GLN 95 112.067 -26.274 -2.348 767 1HE2 GLN 95 HE21 GLN 95 112.664 -25.972 -5.150 768 2HE2 GLN 95 HE22 GLN 95 112.328 -27.488 -5.901 769 HA PRO 96 HA PRO 96 116.658 -21.268 -2.025 770 1HB PRO 96 HB2 PRO 96 117.781 -20.836 0.330 771 2HB PRO 96 HB1 PRO 96 116.057 -20.522 0.080 772 1HG PRO 96 HG2 PRO 96 117.379 -22.894 1.340 773 2HG PRO 96 HG1 PRO 96 115.979 -21.964 1.908 774 1HD PRO 96 HD2 PRO 96 115.720 -24.324 0.504 775 2HD PRO 96 HD1 PRO 96 114.540 -23.013 0.489 776 H THR 97 HN THR 97 118.881 -20.723 -1.932 777 HA THR 97 HA THR 97 120.876 -22.701 -1.364 778 HB THR 97 HB THR 97 121.929 -22.011 -3.640 779 HG1 THR 97 HG1 THR 97 119.238 -21.743 -4.460 780 1HG2 THR 97 HG21 THR 97 119.591 -23.922 -3.606 781 2HG2 THR 97 HG22 THR 97 121.265 -24.296 -3.178 782 3HG2 THR 97 HG23 THR 97 120.853 -23.873 -4.842 783 H LEU 98 HN LEU 98 123.057 -21.317 -2.174 784 HA LEU 98 HA LEU 98 123.185 -19.247 -0.270 785 1HB LEU 98 HB2 LEU 98 125.035 -20.204 -2.400 786 2HB LEU 98 HB1 LEU 98 125.363 -18.669 -1.633 787 HG LEU 98 HG LEU 98 125.577 -19.767 0.537 788 1HD1 LEU 98 HD11 LEU 98 124.021 -21.586 0.277 789 2HD1 LEU 98 HD12 LEU 98 125.613 -22.160 0.755 790 3HD1 LEU 98 HD13 LEU 98 125.075 -22.352 -0.922 791 1HD2 LEU 98 HD21 LEU 98 127.618 -21.026 0.090 792 2HD2 LEU 98 HD22 LEU 98 127.542 -19.527 -0.839 793 3HD2 LEU 98 HD23 LEU 98 127.205 -21.071 -1.625 794 H HIS 99 HN HIS 99 122.411 -19.137 -3.662 795 HA HIS 99 HA HIS 99 122.495 -16.222 -3.453 796 1HB HIS 99 HB2 HIS 99 122.850 -17.974 -5.896 797 2HB HIS 99 HB1 HIS 99 122.639 -16.229 -5.981 798 HD1 HIS 99 HD1 HIS 99 124.729 -14.817 -5.705 799 HD2 HIS 99 HD2 HIS 99 125.317 -18.779 -4.572 800 HE1 HIS 99 HE1 HIS 99 127.145 -14.987 -5.008 801 HE2 HIS 99 HE2 HIS 99 127.378 -17.296 -4.112 802 H SER 100 HN SER 100 120.211 -17.935 -2.580 803 HA SER 100 HA SER 100 118.094 -17.777 -4.359 804 1HB SER 100 HB2 SER 100 118.033 -17.616 -1.301 805 2HB SER 100 HB1 SER 100 116.624 -17.799 -2.321 806 HG SER 100 HG SER 100 117.191 -19.668 -2.910 807 H PHE 101 HN PHE 101 119.574 -15.223 -2.591 808 HA PHE 101 HA PHE 101 117.395 -13.369 -3.323 809 1HB PHE 101 HB2 PHE 101 119.659 -12.955 -1.372 810 2HB PHE 101 HB1 PHE 101 118.275 -11.912 -1.619 811 HD1 PHE 101 HD1 PHE 101 116.047 -12.631 -0.773 812 HD2 PHE 101 HD2 PHE 101 119.612 -14.791 0.060 813 HE1 PHE 101 HE1 PHE 101 114.942 -13.742 1.138 814 HE2 PHE 101 HE2 PHE 101 118.503 -15.902 1.949 815 HZ PHE 101 HZ PHE 101 116.171 -15.376 2.476 816 H ASP 102 HN ASP 102 119.753 -14.447 -4.968 817 HA ASP 102 HA ASP 102 121.793 -12.518 -5.010 818 1HB ASP 102 HB2 ASP 102 121.944 -14.819 -5.989 819 2HB ASP 102 HB1 ASP 102 121.039 -14.208 -7.374 820 H ALA 103 HN ALA 103 118.940 -12.834 -7.047 821 HA ALA 103 HA ALA 103 119.619 -10.651 -8.742 822 1HB ALA 103 HB1 ALA 103 117.329 -10.781 -9.554 823 2HB ALA 103 HB2 ALA 103 116.866 -11.767 -8.178 824 3HB ALA 103 HB3 ALA 103 117.982 -12.414 -9.389 825 H ALA 104 HN ALA 104 117.798 -11.041 -5.828 826 HA ALA 104 HA ALA 104 116.724 -8.459 -5.717 827 1HB ALA 104 HB1 ALA 104 116.184 -8.935 -3.412 828 2HB ALA 104 HB2 ALA 104 117.193 -10.400 -3.453 829 3HB ALA 104 HB3 ALA 104 115.761 -10.248 -4.503 830 H GLN 105 HN GLN 105 119.832 -9.709 -4.675 831 HA GLN 105 HA GLN 105 120.427 -7.428 -3.060 832 1HB GLN 105 HB2 GLN 105 122.462 -9.259 -4.369 833 2HB GLN 105 HB1 GLN 105 122.755 -8.158 -3.039 834 1HG GLN 105 HG2 GLN 105 121.429 -10.840 -3.027 835 2HG GLN 105 HG1 GLN 105 122.674 -10.159 -1.976 836 1HE2 GLN 105 HE21 GLN 105 119.327 -10.440 -2.555 837 2HE2 GLN 105 HE22 GLN 105 118.828 -9.765 -1.028 838 H SER 106 HN SER 106 120.922 -8.318 -6.384 839 HA SER 106 HA SER 106 122.454 -6.094 -7.121 840 1HB SER 106 HB2 SER 106 120.649 -7.876 -8.769 841 2HB SER 106 HB1 SER 106 121.900 -6.801 -9.409 842 HG SER 106 HG SER 106 123.406 -7.958 -8.139 843 H ARG 107 HN ARG 107 118.990 -6.683 -6.910 844 HA ARG 107 HA ARG 107 118.143 -4.265 -8.166 845 1HB ARG 107 HB2 ARG 107 116.681 -5.860 -6.064 846 2HB ARG 107 HB1 ARG 107 115.985 -4.654 -7.128 847 1HG ARG 107 HG2 ARG 107 117.054 -7.364 -7.888 848 2HG ARG 107 HG1 ARG 107 115.375 -6.834 -7.888 849 1HD ARG 107 HD2 ARG 107 117.583 -5.796 -9.661 850 2HD ARG 107 HD1 ARG 107 116.284 -6.881 -10.149 851 HE ARG 107 HE ARG 107 115.075 -4.626 -9.114 852 1HH1 ARG 107 HH11 ARG 107 117.300 -5.338 -11.790 853 2HH1 ARG 107 HH12 ARG 107 116.746 -4.058 -12.765 854 1HH2 ARG 107 HH21 ARG 107 114.247 -2.916 -10.525 855 2HH2 ARG 107 HH22 ARG 107 114.953 -2.700 -12.054 856 H VAL 108 HN VAL 108 118.731 -5.176 -4.824 857 HA VAL 108 HA VAL 108 118.033 -2.661 -3.788 858 HB VAL 108 HB VAL 108 119.622 -4.934 -2.588 859 1HG1 VAL 108 HG11 VAL 108 119.363 -3.792 -0.422 860 2HG1 VAL 108 HG12 VAL 108 118.624 -2.415 -1.241 861 3HG1 VAL 108 HG13 VAL 108 120.325 -2.795 -1.522 862 1HG2 VAL 108 HG21 VAL 108 117.566 -5.236 -1.320 863 2HG2 VAL 108 HG22 VAL 108 117.293 -5.326 -3.063 864 3HG2 VAL 108 HG23 VAL 108 116.849 -3.869 -2.176 865 H TYR 109 HN TYR 109 121.161 -4.037 -4.670 866 HA TYR 109 HA TYR 109 122.778 -1.961 -3.909 867 1HB TYR 109 HB2 TYR 109 123.991 -3.718 -4.660 868 2HB TYR 109 HB1 TYR 109 122.952 -4.067 -6.012 869 HD1 TYR 109 HD1 TYR 109 125.950 -2.421 -4.844 870 HD2 TYR 109 HD2 TYR 109 123.237 -2.599 -8.108 871 HE1 TYR 109 HE1 TYR 109 127.565 -1.232 -6.259 872 HE2 TYR 109 HE2 TYR 109 124.819 -1.424 -9.523 873 HH TYR 109 HH TYR 109 126.673 0.195 -9.119 874 H GLN 110 HN GLN 110 120.918 -2.169 -6.958 875 HA GLN 110 HA GLN 110 121.891 0.365 -7.801 876 1HB GLN 110 HB2 GLN 110 120.099 0.313 -9.559 877 2HB GLN 110 HB1 GLN 110 121.208 -1.046 -9.579 878 1HG GLN 110 HG2 GLN 110 119.615 -2.508 -8.780 879 2HG GLN 110 HG1 GLN 110 118.580 -1.217 -8.185 880 1HE2 GLN 110 HE21 GLN 110 119.612 -3.020 -10.989 881 2HE2 GLN 110 HE22 GLN 110 118.362 -2.446 -12.031 882 H LEU 111 HN LEU 111 119.233 -0.563 -5.787 883 HA LEU 111 HA LEU 111 117.679 1.770 -5.899 884 1HB LEU 111 HB2 LEU 111 118.270 0.017 -3.507 885 2HB LEU 111 HB1 LEU 111 117.028 1.247 -3.555 886 HG LEU 111 HG LEU 111 117.080 -1.232 -5.271 887 1HD1 LEU 111 HD11 LEU 111 116.751 -1.753 -2.917 888 2HD1 LEU 111 HD12 LEU 111 115.262 -1.999 -3.831 889 3HD1 LEU 111 HD13 LEU 111 115.452 -0.562 -2.825 890 1HD2 LEU 111 HD21 LEU 111 114.954 0.876 -4.864 891 2HD2 LEU 111 HD22 LEU 111 114.773 -0.600 -5.811 892 3HD2 LEU 111 HD23 LEU 111 115.916 0.642 -6.324 893 H MET 112 HN MET 112 120.386 0.949 -3.718 894 HA MET 112 HA MET 112 120.473 3.561 -2.616 895 1HB MET 112 HB2 MET 112 122.659 1.483 -2.646 896 2HB MET 112 HB1 MET 112 122.782 3.024 -1.822 897 1HG MET 112 HG2 MET 112 122.223 1.591 -0.143 898 2HG MET 112 HG1 MET 112 120.654 2.254 -0.599 899 1HE MET 112 HE1 MET 112 122.154 -1.946 -1.643 900 2HE MET 112 HE2 MET 112 123.027 -0.843 -0.576 901 3HE MET 112 HE3 MET 112 122.960 -0.527 -2.308 902 H GLU 113 HN GLU 113 122.027 2.083 -5.341 903 HA GLU 113 HA GLU 113 123.995 3.979 -5.818 904 1HB GLU 113 HB2 GLU 113 123.765 1.789 -6.989 905 2HB GLU 113 HB1 GLU 113 122.405 2.445 -7.883 906 1HG GLU 113 HG2 GLU 113 123.888 4.110 -8.896 907 2HG GLU 113 HG1 GLU 113 125.247 3.423 -8.007 908 H GLN 114 HN GLN 114 120.778 3.847 -7.345 909 HA GLN 114 HA GLN 114 121.139 6.401 -8.583 910 1HB GLN 114 HB2 GLN 114 118.874 6.078 -9.454 911 2HB GLN 114 HB1 GLN 114 119.910 4.688 -9.728 912 1HG GLN 114 HG2 GLN 114 118.873 3.601 -7.757 913 2HG GLN 114 HG1 GLN 114 117.755 4.962 -7.652 914 1HE2 GLN 114 HE21 GLN 114 117.273 2.126 -8.148 915 2HE2 GLN 114 HE22 GLN 114 116.422 2.049 -9.655 916 H ASP 115 HN ASP 115 120.335 5.722 -5.476 917 HA ASP 115 HA ASP 115 118.771 8.226 -5.258 918 1HB ASP 115 HB2 ASP 115 117.306 6.503 -4.551 919 2HB ASP 115 HB1 ASP 115 118.551 5.744 -3.565 920 H SER 116 HN SER 116 120.967 6.182 -3.407 921 HA SER 116 HA SER 116 121.497 8.440 -1.675 922 1HB SER 116 HB2 SER 116 122.302 5.572 -1.367 923 2HB SER 116 HB1 SER 116 122.239 6.809 -0.105 924 HG SER 116 HG SER 116 119.794 6.696 -1.130 925 H TYR 117 HN TYR 117 123.090 6.474 -4.174 926 HA TYR 117 HA TYR 117 125.732 6.877 -3.195 927 1HB TYR 117 HB2 TYR 117 125.346 4.940 -4.462 928 2HB TYR 117 HB1 TYR 117 124.587 5.870 -5.772 929 HD1 TYR 117 HD1 TYR 117 125.765 5.868 -7.685 930 HD2 TYR 117 HD2 TYR 117 127.915 5.878 -4.020 931 HE1 TYR 117 HE1 TYR 117 127.865 5.885 -8.931 932 HE2 TYR 117 HE2 TYR 117 130.035 5.894 -5.267 933 HH TYR 117 HH TYR 117 130.923 5.473 -7.341 934 H THR 118 HN THR 118 123.759 8.470 -5.590 935 HA THR 118 HA THR 118 125.693 10.192 -6.637 936 HB THR 118 HB THR 118 123.551 11.569 -7.111 937 HG1 THR 118 HG1 THR 118 121.634 10.298 -6.687 938 1HG2 THR 118 HG21 THR 118 122.792 9.913 -8.777 939 2HG2 THR 118 HG22 THR 118 123.699 8.658 -7.927 940 3HG2 THR 118 HG23 THR 118 124.556 9.981 -8.716 941 H ARG 119 HN ARG 119 123.306 10.625 -4.103 942 HA ARG 119 HA ARG 119 124.168 13.139 -3.197 943 1HB ARG 119 HB2 ARG 119 122.655 10.971 -1.738 944 2HB ARG 119 HB1 ARG 119 122.917 12.586 -1.091 945 1HG ARG 119 HG2 ARG 119 121.704 13.534 -3.008 946 2HG ARG 119 HG1 ARG 119 121.411 11.901 -3.608 947 1HD ARG 119 HD2 ARG 119 120.521 12.925 -0.915 948 2HD ARG 119 HD1 ARG 119 119.502 12.878 -2.349 949 HE ARG 119 HE ARG 119 119.722 10.475 -2.323 950 1HH1 ARG 119 HH11 ARG 119 120.773 12.088 0.696 951 2HH1 ARG 119 HH12 ARG 119 120.273 10.781 1.673 952 1HH2 ARG 119 HH21 ARG 119 118.969 8.688 -0.815 953 2HH2 ARG 119 HH22 ARG 119 119.239 8.925 0.849 954 H PHE 120 HN PHE 120 125.162 9.889 -2.304 955 HA PHE 120 HA PHE 120 126.875 10.575 -0.208 956 1HB PHE 120 HB2 PHE 120 126.314 8.257 -0.501 957 2HB PHE 120 HB1 PHE 120 126.941 8.254 -2.145 958 HD1 PHE 120 HD1 PHE 120 129.171 7.738 -2.580 959 HD2 PHE 120 HD2 PHE 120 127.955 8.532 1.419 960 HE1 PHE 120 HE1 PHE 120 131.364 6.999 -1.770 961 HE2 PHE 120 HE2 PHE 120 130.177 7.777 2.228 962 HZ PHE 120 HZ PHE 120 131.858 7.024 0.633 963 H LEU 121 HN LEU 121 127.417 10.435 -3.696 964 HA LEU 121 HA LEU 121 130.151 10.961 -3.545 965 1HB LEU 121 HB2 LEU 121 128.198 11.471 -5.763 966 2HB LEU 121 HB1 LEU 121 129.923 11.765 -5.923 967 HG LEU 121 HG LEU 121 128.651 9.103 -5.312 968 1HD1 LEU 121 HD11 LEU 121 130.028 10.131 -7.784 969 2HD1 LEU 121 HD12 LEU 121 128.298 9.828 -7.610 970 3HD1 LEU 121 HD13 LEU 121 129.441 8.486 -7.534 971 1HD2 LEU 121 HD21 LEU 121 131.529 9.755 -5.883 972 2HD2 LEU 121 HD22 LEU 121 130.873 8.193 -5.357 973 3HD2 LEU 121 HD23 LEU 121 130.886 9.593 -4.269 974 H LYS 122 HN LYS 122 127.483 13.102 -3.270 975 HA LYS 122 HA LYS 122 129.514 15.158 -2.875 976 1HB LYS 122 HB2 LYS 122 126.658 15.490 -3.668 977 2HB LYS 122 HB1 LYS 122 127.521 16.818 -2.895 978 1HG LYS 122 HG2 LYS 122 128.329 15.408 -5.429 979 2HG LYS 122 HG1 LYS 122 127.664 17.042 -5.294 980 1HD LYS 122 HD2 LYS 122 129.598 17.723 -3.951 981 2HD LYS 122 HD1 LYS 122 130.255 16.093 -4.067 982 1HE LYS 122 HE2 LYS 122 130.416 16.342 -6.483 983 2HE LYS 122 HE1 LYS 122 129.788 17.998 -6.347 984 1HZ LYS 122 HZ1 LYS 122 131.733 18.475 -4.901 985 2HZ LYS 122 HZ2 LYS 122 132.188 18.097 -6.475 986 3HZ LYS 122 HZ3 LYS 122 132.365 16.958 -5.264 987 H SER 123 HN SER 123 128.232 13.077 -0.943 988 HA SER 123 HA SER 123 127.370 14.664 1.248 989 1HB SER 123 HB2 SER 123 127.632 12.673 2.616 990 2HB SER 123 HB1 SER 123 126.928 12.204 1.068 991 HG SER 123 HG SER 123 128.994 11.516 0.405 992 H ASP 124 HN ASP 124 128.480 15.274 3.060 993 HA ASP 124 HA ASP 124 131.097 16.213 2.618 994 1HB ASP 124 HB2 ASP 124 129.576 17.434 4.057 995 2HB ASP 124 HB1 ASP 124 129.480 16.078 5.170 996 H ILE 125 HN ILE 125 129.903 13.284 4.091 997 HA ILE 125 HA ILE 125 132.348 12.593 5.343 998 HB ILE 125 HB ILE 125 130.044 11.504 5.807 999 1HG1 ILE 125 HG12 ILE 125 132.162 10.607 6.799 1000 2HG1 ILE 125 HG11 ILE 125 130.911 9.401 6.599 1001 1HG2 ILE 125 HG21 ILE 125 129.372 9.529 4.593 1002 2HG2 ILE 125 HG22 ILE 125 130.714 9.719 3.484 1003 3HG2 ILE 125 HG23 ILE 125 129.422 10.933 3.518 1004 1HD1 ILE 125 HD11 ILE 125 132.083 8.530 4.633 1005 2HD1 ILE 125 HD12 ILE 125 133.107 8.514 6.071 1006 3HD1 ILE 125 HD13 ILE 125 133.331 9.761 4.841 1007 H TYR 126 HN TYR 126 131.050 11.925 2.094 1008 HA TYR 126 HA TYR 126 133.372 10.483 1.278 1009 1HB TYR 126 HB2 TYR 126 131.255 10.112 0.115 1010 2HB TYR 126 HB1 TYR 126 131.219 11.790 -0.406 1011 HD1 TYR 126 HD1 TYR 126 131.913 12.231 -2.600 1012 HD2 TYR 126 HD2 TYR 126 133.489 8.829 -0.592 1013 HE1 TYR 126 HE1 TYR 126 133.167 11.637 -4.602 1014 HE2 TYR 126 HE2 TYR 126 134.728 8.210 -2.609 1015 HH TYR 126 HH TYR 126 134.888 8.602 -4.829 1016 H LEU 127 HN LEU 127 132.354 13.820 1.085 1017 HA LEU 127 HA LEU 127 134.562 14.619 -0.446 1018 1HB LEU 127 HB2 LEU 127 132.454 16.062 1.043 1019 2HB LEU 127 HB1 LEU 127 133.944 16.959 0.755 1020 HG LEU 127 HG LEU 127 132.224 17.415 -0.916 1021 1HD1 LEU 127 HD11 LEU 127 133.535 16.980 -2.919 1022 2HD1 LEU 127 HD12 LEU 127 134.534 15.841 -2.013 1023 3HD1 LEU 127 HD13 LEU 127 134.541 17.554 -1.589 1024 1HD2 LEU 127 HD21 LEU 127 131.497 15.707 -2.482 1025 2HD2 LEU 127 HD22 LEU 127 131.060 15.293 -0.818 1026 3HD2 LEU 127 HD23 LEU 127 132.427 14.493 -1.594 1027 H ASP 128 HN ASP 128 134.306 13.910 2.886 1028 HA ASP 128 HA ASP 128 136.773 15.144 3.641 1029 1HB ASP 128 HB2 ASP 128 135.185 14.471 5.378 1030 2HB ASP 128 HB1 ASP 128 135.321 12.789 4.881 1031 H LEU 129 HN LEU 129 135.815 11.987 2.449 1032 HA LEU 129 HA LEU 129 138.363 10.736 2.525 1033 1HB LEU 129 HB2 LEU 129 136.385 10.117 0.311 1034 2HB LEU 129 HB1 LEU 129 137.506 9.102 1.127 1035 HG LEU 129 HG LEU 129 135.110 10.176 2.578 1036 1HD1 LEU 129 HD11 LEU 129 135.462 7.603 1.087 1037 2HD1 LEU 129 HD12 LEU 129 134.344 8.906 0.694 1038 3HD1 LEU 129 HD13 LEU 129 134.123 7.969 2.175 1039 1HD2 LEU 129 HD21 LEU 129 136.898 9.390 4.027 1040 2HD2 LEU 129 HD22 LEU 129 137.004 7.891 3.104 1041 3HD2 LEU 129 HD23 LEU 129 135.552 8.240 4.040 1042 H MET 130 HN MET 130 136.688 12.708 0.191 1043 HA MET 130 HA MET 130 138.578 12.694 -1.898 1044 1HB MET 130 HB2 MET 130 136.580 14.828 -1.127 1045 2HB MET 130 HB1 MET 130 137.543 14.872 -2.586 1046 1HG MET 130 HG2 MET 130 135.478 12.764 -1.918 1047 2HG MET 130 HG1 MET 130 135.223 14.157 -2.956 1048 1HE MET 130 HE1 MET 130 138.139 11.509 -2.558 1049 2HE MET 130 HE2 MET 130 137.863 10.492 -3.958 1050 3HE MET 130 HE3 MET 130 136.672 10.536 -2.652 1051 H GLU 131 HN GLU 131 137.884 15.251 0.424 1052 HA GLU 131 HA GLU 131 139.015 16.972 1.217 1053 1HB GLU 131 HB2 GLU 131 140.048 14.999 2.426 1054 2HB GLU 131 HB1 GLU 131 141.363 15.058 1.268 1055 1HG GLU 131 HG2 GLU 131 141.958 16.119 3.359 1056 2HG GLU 131 HG1 GLU 131 141.951 17.279 2.031 1057 H GLY 132 HN GLY 132 138.910 18.331 -0.562 1058 1HA GLY 132 HA2 GLY 132 140.287 18.098 -2.941 1059 2HA GLY 132 HA1 GLY 132 139.627 19.592 -2.293 1060 H ARG 133 HN ARG 133 141.017 20.222 -0.261 1061 HA ARG 133 HA ARG 133 142.905 21.355 0.370 1062 1HB ARG 133 HB2 ARG 133 144.221 18.814 -0.595 1063 2HB ARG 133 HB1 ARG 133 145.019 20.053 0.355 1064 1HG ARG 133 HG2 ARG 133 143.505 19.627 2.195 1065 2HG ARG 133 HG1 ARG 133 142.659 18.415 1.227 1066 1HD ARG 133 HD2 ARG 133 145.571 18.314 1.993 1067 2HD ARG 133 HD1 ARG 133 144.280 17.422 2.793 1068 HE ARG 133 HE ARG 133 143.956 16.508 0.361 1069 1HH1 ARG 133 HH11 ARG 133 147.046 17.110 1.972 1070 2HH1 ARG 133 HH12 ARG 133 147.861 15.822 1.231 1071 1HH2 ARG 133 HH21 ARG 133 145.020 14.766 -0.648 1072 2HH2 ARG 133 HH22 ARG 133 146.684 14.434 -0.378 1073 HA PRO 134 HA PRO 134 143.748 23.048 -3.839 1074 1HB PRO 134 HB2 PRO 134 144.151 25.407 -2.056 1075 2HB PRO 134 HB1 PRO 134 143.301 25.302 -3.605 1076 1HG PRO 134 HG2 PRO 134 141.930 25.448 -1.346 1077 2HG PRO 134 HG1 PRO 134 141.404 24.358 -2.644 1078 1HD PRO 134 HD2 PRO 134 142.832 23.717 -0.093 1079 2HD PRO 134 HD1 PRO 134 141.536 22.824 -0.919 Start of MODEL 8 1 1H SER 1 HT1 SER 1 141.384 0.696 7.645 2 2H SER 1 HT2 SER 1 141.268 -0.766 6.732 3 3H SER 1 HT3 SER 1 140.700 0.701 6.114 4 HA SER 1 HA SER 1 143.518 0.222 6.647 5 1HB SER 1 HB2 SER 1 141.942 0.386 4.062 6 2HB SER 1 HB1 SER 1 143.667 0.059 4.227 7 HG SER 1 HG SER 1 143.232 -1.959 4.558 8 H MET 2 HN MET 2 144.523 2.028 4.956 9 HA MET 2 HA MET 2 143.121 4.497 5.634 10 1HB MET 2 HB2 MET 2 145.245 5.666 5.256 11 2HB MET 2 HB1 MET 2 145.456 4.398 6.448 12 1HG MET 2 HG2 MET 2 146.453 2.970 4.692 13 2HG MET 2 HG1 MET 2 146.300 4.312 3.561 14 1HE MET 2 HE1 MET 2 149.045 2.831 4.063 15 2HE MET 2 HE2 MET 2 150.149 4.202 4.179 16 3HE MET 2 HE3 MET 2 148.862 4.206 2.973 17 H VAL 3 HN VAL 3 142.294 5.693 4.061 18 HA VAL 3 HA VAL 3 142.735 4.645 1.383 19 HB VAL 3 HB VAL 3 140.418 4.303 2.035 20 1HG1 VAL 3 HG11 VAL 3 140.135 6.054 3.694 21 2HG1 VAL 3 HG12 VAL 3 138.880 6.159 2.449 22 3HG1 VAL 3 HG13 VAL 3 140.234 7.279 2.424 23 1HG2 VAL 3 HG21 VAL 3 139.284 5.414 0.184 24 2HG2 VAL 3 HG22 VAL 3 140.866 4.810 -0.316 25 3HG2 VAL 3 HG23 VAL 3 140.627 6.528 0.011 26 H SER 4 HN SER 4 143.705 5.772 0.012 27 HA SER 4 HA SER 4 144.387 8.525 0.370 28 1HB SER 4 HB2 SER 4 144.500 6.764 -2.075 29 2HB SER 4 HB1 SER 4 145.414 8.247 -1.788 30 HG SER 4 HG SER 4 146.068 6.920 0.225 31 HA PRO 5 HA PRO 5 140.685 10.436 -1.082 32 1HB PRO 5 HB2 PRO 5 141.895 12.417 -2.628 33 2HB PRO 5 HB1 PRO 5 141.546 12.538 -0.900 34 1HG PRO 5 HG2 PRO 5 144.093 11.803 -2.274 35 2HG PRO 5 HG1 PRO 5 143.843 12.795 -0.826 36 1HD PRO 5 HD2 PRO 5 144.711 10.300 -0.623 37 2HD PRO 5 HD1 PRO 5 143.515 10.933 0.531 38 H GLU 6 HN GLU 6 143.237 9.679 -3.385 39 HA GLU 6 HA GLU 6 141.383 9.872 -5.565 40 1HB GLU 6 HB2 GLU 6 144.195 8.792 -5.554 41 2HB GLU 6 HB1 GLU 6 143.215 9.059 -6.991 42 1HG GLU 6 HG2 GLU 6 144.205 11.150 -5.064 43 2HG GLU 6 HG1 GLU 6 144.731 10.899 -6.726 44 H GLU 7 HN GLU 7 142.470 7.300 -3.507 45 HA GLU 7 HA GLU 7 141.459 5.188 -5.154 46 1HB GLU 7 HB2 GLU 7 143.034 5.179 -2.951 47 2HB GLU 7 HB1 GLU 7 141.492 4.998 -2.145 48 1HG GLU 7 HG2 GLU 7 142.723 3.116 -4.155 49 2HG GLU 7 HG1 GLU 7 142.607 2.874 -2.423 50 H ALA 8 HN ALA 8 140.348 7.244 -2.535 51 HA ALA 8 HA ALA 8 137.748 6.230 -2.304 52 1HB ALA 8 HB1 ALA 8 138.736 7.576 -0.519 53 2HB ALA 8 HB2 ALA 8 137.232 8.369 -1.012 54 3HB ALA 8 HB3 ALA 8 138.792 8.992 -1.550 55 H VAL 9 HN VAL 9 139.068 8.762 -4.477 56 HA VAL 9 HA VAL 9 136.526 9.486 -5.486 57 HB VAL 9 HB VAL 9 137.469 10.536 -7.377 58 1HG1 VAL 9 HG11 VAL 9 139.164 12.021 -6.498 59 2HG1 VAL 9 HG12 VAL 9 139.392 10.910 -5.142 60 3HG1 VAL 9 HG13 VAL 9 137.848 11.719 -5.354 61 1HG2 VAL 9 HG21 VAL 9 138.939 8.840 -8.236 62 2HG2 VAL 9 HG22 VAL 9 140.065 9.097 -6.904 63 3HG2 VAL 9 HG23 VAL 9 139.808 10.368 -8.101 64 H LYS 10 HN LYS 10 138.580 6.838 -6.207 65 HA LYS 10 HA LYS 10 137.236 6.014 -8.553 66 1HB LYS 10 HB2 LYS 10 138.706 4.282 -6.561 67 2HB LYS 10 HB1 LYS 10 138.292 3.836 -8.208 68 1HG LYS 10 HG2 LYS 10 140.191 6.005 -7.368 69 2HG LYS 10 HG1 LYS 10 140.618 4.431 -8.043 70 1HD LYS 10 HD2 LYS 10 139.550 4.999 -10.130 71 2HD LYS 10 HD1 LYS 10 138.979 6.530 -9.455 72 1HE LYS 10 HE2 LYS 10 141.276 7.246 -9.140 73 2HE LYS 10 HE1 LYS 10 141.853 5.720 -9.787 74 1HZ LYS 10 HZ1 LYS 10 141.895 7.440 -11.508 75 2HZ LYS 10 HZ2 LYS 10 140.255 7.737 -11.295 76 3HZ LYS 10 HZ3 LYS 10 140.752 6.252 -11.908 77 H TRP 11 HN TRP 11 136.540 5.614 -5.166 78 HA TRP 11 HA TRP 11 134.479 3.665 -5.312 79 1HB TRP 11 HB2 TRP 11 134.638 6.062 -3.489 80 2HB TRP 11 HB1 TRP 11 133.629 4.661 -3.225 81 HD1 TRP 11 HD1 TRP 11 136.754 3.172 -4.222 82 HE1 TRP 11 HE1 TRP 11 138.262 2.672 -2.221 83 HE3 TRP 11 HE3 TRP 11 134.348 5.986 -0.746 84 HZ2 TRP 11 HZ2 TRP 11 138.347 3.312 0.536 85 HZ3 TRP 11 HZ3 TRP 11 135.179 5.964 1.584 86 HH2 TRP 11 HH2 TRP 11 137.150 4.667 2.195 87 H GLY 12 HN GLY 12 134.711 7.003 -6.072 88 1HA GLY 12 HA2 GLY 12 131.855 7.471 -6.154 89 2HA GLY 12 HA1 GLY 12 133.124 8.652 -6.448 90 H GLU 13 HN GLU 13 134.094 6.170 -8.246 91 HA GLU 13 HA GLU 13 132.421 7.050 -10.444 92 1HB GLU 13 HB2 GLU 13 134.276 6.514 -11.999 93 2HB GLU 13 HB1 GLU 13 134.690 7.752 -10.837 94 1HG GLU 13 HG2 GLU 13 136.620 6.482 -10.909 95 2HG GLU 13 HG1 GLU 13 135.776 5.794 -9.534 96 H SER 14 HN SER 14 133.335 4.374 -8.582 97 HA SER 14 HA SER 14 131.381 2.807 -10.064 98 1HB SER 14 HB2 SER 14 134.043 1.729 -9.095 99 2HB SER 14 HB1 SER 14 132.756 0.785 -9.841 100 HG SER 14 HG SER 14 134.470 2.704 -10.951 101 H PHE 15 HN PHE 15 129.788 2.619 -8.621 102 HA PHE 15 HA PHE 15 129.942 2.746 -5.826 103 1HB PHE 15 HB2 PHE 15 127.866 3.123 -7.082 104 2HB PHE 15 HB1 PHE 15 127.859 1.453 -7.613 105 HD1 PHE 15 HD1 PHE 15 126.027 0.419 -6.709 106 HD2 PHE 15 HD2 PHE 15 128.310 3.008 -4.242 107 HE1 PHE 15 HE1 PHE 15 124.605 -0.159 -4.782 108 HE2 PHE 15 HE2 PHE 15 126.885 2.415 -2.312 109 HZ PHE 15 HZ PHE 15 125.039 0.843 -2.597 110 H ASP 16 HN ASP 16 130.255 0.103 -8.038 111 HA ASP 16 HA ASP 16 130.159 -2.032 -6.220 112 1HB ASP 16 HB2 ASP 16 130.063 -2.483 -8.576 113 2HB ASP 16 HB1 ASP 16 131.659 -1.778 -8.823 114 H LYS 17 HN LYS 17 132.888 -0.022 -7.261 115 HA LYS 17 HA LYS 17 134.822 -1.441 -5.742 116 1HB LYS 17 HB2 LYS 17 135.832 -0.154 -7.406 117 2HB LYS 17 HB1 LYS 17 134.833 1.253 -7.060 118 1HG LYS 17 HG2 LYS 17 136.053 1.755 -5.101 119 2HG LYS 17 HG1 LYS 17 136.951 0.237 -5.174 120 1HD LYS 17 HD2 LYS 17 137.071 2.249 -7.381 121 2HD LYS 17 HD1 LYS 17 138.062 2.431 -5.935 122 1HE LYS 17 HE2 LYS 17 138.041 -0.006 -7.701 123 2HE LYS 17 HE1 LYS 17 139.214 1.306 -7.818 124 1HZ LYS 17 HZ1 LYS 17 140.169 -0.398 -6.512 125 2HZ LYS 17 HZ2 LYS 17 138.833 -0.547 -5.511 126 3HZ LYS 17 HZ3 LYS 17 139.787 0.857 -5.458 127 H LEU 18 HN LEU 18 132.828 1.337 -5.093 128 HA LEU 18 HA LEU 18 133.755 2.144 -2.624 129 1HB LEU 18 HB2 LEU 18 131.977 3.273 -3.821 130 2HB LEU 18 HB1 LEU 18 130.932 1.884 -3.647 131 HG LEU 18 HG LEU 18 130.918 2.271 -1.191 132 1HD1 LEU 18 HD11 LEU 18 132.325 4.820 -1.937 133 2HD1 LEU 18 HD12 LEU 18 133.006 3.491 -1.002 134 3HD1 LEU 18 HD13 LEU 18 131.660 4.428 -0.352 135 1HD2 LEU 18 HD21 LEU 18 129.140 3.028 -2.606 136 2HD2 LEU 18 HD22 LEU 18 130.013 4.522 -2.945 137 3HD2 LEU 18 HD23 LEU 18 129.422 4.192 -1.308 138 H LEU 19 HN LEU 19 131.341 -0.296 -3.352 139 HA LEU 19 HA LEU 19 131.041 -1.247 -0.712 140 1HB LEU 19 HB2 LEU 19 130.086 -1.953 -3.394 141 2HB LEU 19 HB1 LEU 19 130.082 -3.248 -2.223 142 HG LEU 19 HG LEU 19 128.361 -2.318 -0.996 143 1HD1 LEU 19 HD11 LEU 19 128.857 0.439 -2.150 144 2HD1 LEU 19 HD12 LEU 19 129.575 -0.139 -0.651 145 3HD1 LEU 19 HD13 LEU 19 127.827 -0.020 -0.773 146 1HD2 LEU 19 HD21 LEU 19 127.972 -1.223 -3.770 147 2HD2 LEU 19 HD22 LEU 19 126.706 -1.460 -2.568 148 3HD2 LEU 19 HD23 LEU 19 127.578 -2.850 -3.215 149 H SER 20 HN SER 20 133.202 -2.104 -3.288 150 HA SER 20 HA SER 20 133.904 -4.679 -2.274 151 1HB SER 20 HB2 SER 20 134.129 -3.997 -4.677 152 2HB SER 20 HB1 SER 20 135.438 -2.918 -4.208 153 HG SER 20 HG SER 20 135.552 -5.416 -4.851 154 H HIS 21 HN HIS 21 135.044 -1.412 -1.856 155 HA HIS 21 HA HIS 21 137.431 -2.279 -0.454 156 1HB HIS 21 HB2 HIS 21 136.889 -0.050 -1.976 157 2HB HIS 21 HB1 HIS 21 136.569 0.554 -0.362 158 HD1 HIS 21 HD1 HIS 21 138.648 1.163 1.103 159 HD2 HIS 21 HD2 HIS 21 139.592 -0.921 -2.382 160 HE1 HIS 21 HE1 HIS 21 141.103 1.262 0.904 161 HE2 HIS 21 HE2 HIS 21 141.646 0.165 -1.270 162 H ARG 22 HN ARG 22 137.306 -2.670 1.635 163 HA ARG 22 HA ARG 22 134.900 -2.633 3.062 164 1HB ARG 22 HB2 ARG 22 137.741 -3.003 3.896 165 2HB ARG 22 HB1 ARG 22 136.523 -2.773 5.140 166 1HG ARG 22 HG2 ARG 22 136.975 -5.133 4.729 167 2HG ARG 22 HG1 ARG 22 135.309 -4.713 4.352 168 1HD ARG 22 HD2 ARG 22 135.945 -4.606 1.946 169 2HD ARG 22 HD1 ARG 22 137.564 -5.152 2.389 170 HE ARG 22 HE ARG 22 136.091 -7.025 3.500 171 1HH1 ARG 22 HH11 ARG 22 135.928 -5.692 0.179 172 2HH1 ARG 22 HH12 ARG 22 135.299 -7.118 -0.490 173 1HH2 ARG 22 HH21 ARG 22 135.195 -8.976 2.518 174 2HH2 ARG 22 HH22 ARG 22 134.826 -8.987 0.854 175 H ASP 23 HN ASP 23 137.422 -0.282 2.950 176 HA ASP 23 HA ASP 23 136.474 1.422 5.005 177 1HB ASP 23 HB2 ASP 23 138.001 2.295 2.547 178 2HB ASP 23 HB1 ASP 23 137.987 3.059 4.134 179 H GLY 24 HN GLY 24 135.520 0.940 1.683 180 1HA GLY 24 HA2 GLY 24 134.121 3.478 1.526 181 2HA GLY 24 HA1 GLY 24 134.246 2.282 0.257 182 H LEU 25 HN LEU 25 133.428 0.053 1.531 183 HA LEU 25 HA LEU 25 130.667 0.207 1.530 184 1HB LEU 25 HB2 LEU 25 131.177 -1.975 1.301 185 2HB LEU 25 HB1 LEU 25 132.709 -1.785 2.107 186 HG LEU 25 HG LEU 25 130.200 -2.046 3.760 187 1HD1 LEU 25 HD11 LEU 25 130.523 -4.477 3.718 188 2HD1 LEU 25 HD12 LEU 25 131.828 -4.295 2.545 189 3HD1 LEU 25 HD13 LEU 25 130.174 -3.883 2.095 190 1HD2 LEU 25 HD21 LEU 25 133.078 -2.889 4.102 191 2HD2 LEU 25 HD22 LEU 25 131.809 -3.115 5.304 192 3HD2 LEU 25 HD23 LEU 25 132.351 -1.487 4.884 193 H GLU 26 HN GLU 26 132.964 0.497 4.099 194 HA GLU 26 HA GLU 26 131.151 0.789 6.213 195 1HB GLU 26 HB2 GLU 26 133.436 0.159 6.447 196 2HB GLU 26 HB1 GLU 26 133.995 1.707 5.839 197 1HG GLU 26 HG2 GLU 26 134.237 1.689 8.232 198 2HG GLU 26 HG1 GLU 26 132.955 2.815 7.800 199 H ALA 27 HN ALA 27 132.715 3.128 3.975 200 HA ALA 27 HA ALA 27 131.796 5.451 5.314 201 1HB ALA 27 HB1 ALA 27 132.497 5.049 2.386 202 2HB ALA 27 HB2 ALA 27 133.570 5.726 3.615 203 3HB ALA 27 HB3 ALA 27 132.118 6.594 3.108 204 H PHE 28 HN PHE 28 130.447 3.457 2.798 205 HA PHE 28 HA PHE 28 128.199 5.148 2.340 206 1HB PHE 28 HB2 PHE 28 129.177 3.634 0.607 207 2HB PHE 28 HB1 PHE 28 128.544 2.262 1.510 208 HD1 PHE 28 HD1 PHE 28 126.394 1.488 1.067 209 HD2 PHE 28 HD2 PHE 28 127.493 5.396 -0.171 210 HE1 PHE 28 HE1 PHE 28 124.270 1.699 -0.148 211 HE2 PHE 28 HE2 PHE 28 125.373 5.616 -1.389 212 HZ PHE 28 HZ PHE 28 123.755 3.764 -1.381 213 H THR 29 HN THR 29 128.753 2.193 4.252 214 HA THR 29 HA THR 29 126.033 1.926 4.909 215 HB THR 29 HB THR 29 127.764 0.041 5.166 216 HG1 THR 29 HG1 THR 29 126.594 -0.916 6.677 217 1HG2 THR 29 HG21 THR 29 129.477 1.279 6.439 218 2HG2 THR 29 HG22 THR 29 128.929 -0.151 7.314 219 3HG2 THR 29 HG23 THR 29 128.344 1.442 7.782 220 H ARG 30 HN ARG 30 128.638 3.814 6.333 221 HA ARG 30 HA ARG 30 127.215 4.539 8.674 222 1HB ARG 30 HB2 ARG 30 129.465 5.965 7.247 223 2HB ARG 30 HB1 ARG 30 128.828 6.450 8.815 224 1HG ARG 30 HG2 ARG 30 129.454 4.253 9.718 225 2HG ARG 30 HG1 ARG 30 130.112 3.822 8.148 226 1HD ARG 30 HD2 ARG 30 131.722 5.625 8.284 227 2HD ARG 30 HD1 ARG 30 131.052 6.126 9.839 228 HE ARG 30 HE ARG 30 131.792 3.414 9.881 229 1HH1 ARG 30 HH11 ARG 30 133.287 6.631 9.839 230 2HH1 ARG 30 HH12 ARG 30 134.621 6.237 10.802 231 1HH2 ARG 30 HH21 ARG 30 133.611 2.823 11.289 232 2HH2 ARG 30 HH22 ARG 30 134.795 3.992 11.686 233 H PHE 31 HN PHE 31 127.493 5.984 5.500 234 HA PHE 31 HA PHE 31 125.929 8.267 5.906 235 1HB PHE 31 HB2 PHE 31 127.260 8.003 3.894 236 2HB PHE 31 HB1 PHE 31 126.356 6.564 3.439 237 HD1 PHE 31 HD1 PHE 31 124.375 6.723 2.195 238 HD2 PHE 31 HD2 PHE 31 126.108 10.219 3.878 239 HE1 PHE 31 HE1 PHE 31 122.806 8.108 0.918 240 HE2 PHE 31 HE2 PHE 31 124.540 11.610 2.598 241 HZ PHE 31 HZ PHE 31 122.888 10.555 1.121 242 H LEU 32 HN LEU 32 125.087 5.032 4.878 243 HA LEU 32 HA LEU 32 122.332 5.397 4.581 244 1HB LEU 32 HB2 LEU 32 124.240 3.248 4.570 245 2HB LEU 32 HB1 LEU 32 122.756 2.774 5.373 246 HG LEU 32 HG LEU 32 121.464 3.229 3.387 247 1HD1 LEU 32 HD11 LEU 32 122.468 3.975 1.326 248 2HD1 LEU 32 HD12 LEU 32 124.026 4.183 2.137 249 3HD1 LEU 32 HD13 LEU 32 122.645 5.192 2.591 250 1HD2 LEU 32 HD21 LEU 32 123.968 1.695 2.691 251 2HD2 LEU 32 HD22 LEU 32 122.424 1.608 1.847 252 3HD2 LEU 32 HD23 LEU 32 122.545 1.061 3.519 253 H LYS 33 HN LYS 33 124.175 4.117 7.325 254 HA LYS 33 HA LYS 33 122.064 3.527 9.037 255 1HB LYS 33 HB2 LYS 33 124.935 4.203 9.537 256 2HB LYS 33 HB1 LYS 33 123.834 3.888 10.868 257 1HG LYS 33 HG2 LYS 33 123.466 1.649 10.124 258 2HG LYS 33 HG1 LYS 33 124.333 1.954 8.617 259 1HD LYS 33 HD2 LYS 33 126.401 2.164 9.734 260 2HD LYS 33 HD1 LYS 33 125.621 2.265 11.310 261 1HE LYS 33 HE2 LYS 33 126.733 0.105 10.867 262 2HE LYS 33 HE1 LYS 33 125.017 -0.052 11.226 263 1HZ LYS 33 HZ1 LYS 33 126.079 -0.078 8.425 264 2HZ LYS 33 HZ2 LYS 33 124.577 -0.669 8.998 265 3HZ LYS 33 HZ3 LYS 33 125.976 -1.423 9.415 266 H THR 34 HN THR 34 123.743 6.610 8.608 267 HA THR 34 HA THR 34 122.577 7.742 10.934 268 HB THR 34 HB THR 34 124.723 8.606 10.090 269 HG1 THR 34 HG1 THR 34 123.433 10.960 9.762 270 1HG2 THR 34 HG21 THR 34 123.121 9.739 7.800 271 2HG2 THR 34 HG22 THR 34 124.319 8.454 7.692 272 3HG2 THR 34 HG23 THR 34 124.818 10.087 8.136 273 H GLU 35 HN GLU 35 121.291 7.219 7.815 274 HA GLU 35 HA GLU 35 119.119 9.092 8.457 275 1HB GLU 35 HB2 GLU 35 118.666 9.272 6.066 276 2HB GLU 35 HB1 GLU 35 120.297 9.795 6.455 277 1HG GLU 35 HG2 GLU 35 121.217 7.767 5.596 278 2HG GLU 35 HG1 GLU 35 119.606 7.079 5.375 279 H PHE 36 HN PHE 36 119.709 6.082 8.928 280 HA PHE 36 HA PHE 36 118.532 4.180 9.162 281 1HB PHE 36 HB2 PHE 36 116.170 6.028 8.708 282 2HB PHE 36 HB1 PHE 36 116.024 4.358 9.238 283 HD1 PHE 36 HD1 PHE 36 116.520 3.735 11.498 284 HD2 PHE 36 HD2 PHE 36 117.119 7.738 10.199 285 HE1 PHE 36 HE1 PHE 36 116.750 4.453 13.835 286 HE2 PHE 36 HE2 PHE 36 117.351 8.467 12.534 287 HZ PHE 36 HZ PHE 36 117.166 6.823 14.359 288 H SER 37 HN SER 37 119.615 4.683 6.617 289 HA SER 37 HA SER 37 117.642 3.407 4.841 290 1HB SER 37 HB2 SER 37 118.519 5.701 4.185 291 2HB SER 37 HB1 SER 37 120.115 4.976 4.033 292 HG SER 37 HG SER 37 118.135 5.051 2.258 293 H GLU 38 HN GLU 38 119.986 2.597 6.870 294 HA GLU 38 HA GLU 38 121.976 1.194 5.462 295 1HB GLU 38 HB2 GLU 38 122.509 0.081 7.539 296 2HB GLU 38 HB1 GLU 38 122.190 1.776 7.837 297 1HG GLU 38 HG2 GLU 38 120.275 -0.493 8.384 298 2HG GLU 38 HG1 GLU 38 121.275 0.316 9.584 299 H GLU 39 HN GLU 39 118.793 0.410 6.059 300 HA GLU 39 HA GLU 39 118.603 -2.321 6.050 301 1HB GLU 39 HB2 GLU 39 116.401 -1.980 4.977 302 2HB GLU 39 HB1 GLU 39 116.687 -0.940 6.366 303 1HG GLU 39 HG2 GLU 39 117.190 0.928 4.916 304 2HG GLU 39 HG1 GLU 39 117.035 -0.098 3.495 305 H ASN 40 HN ASN 40 119.406 -0.226 3.352 306 HA ASN 40 HA ASN 40 118.785 -2.121 1.304 307 1HB ASN 40 HB2 ASN 40 120.543 0.346 1.279 308 2HB ASN 40 HB1 ASN 40 120.111 -0.579 -0.147 309 1HD2 ASN 40 HD21 ASN 40 119.620 2.232 0.655 310 2HD2 ASN 40 HD22 ASN 40 117.937 2.477 0.488 311 H ILE 41 HN ILE 41 121.842 -0.895 2.606 312 HA ILE 41 HA ILE 41 123.348 -2.774 1.140 313 HB ILE 41 HB ILE 41 124.065 -0.426 2.155 314 1HG1 ILE 41 HG12 ILE 41 126.030 -2.740 2.016 315 2HG1 ILE 41 HG11 ILE 41 125.418 -1.823 0.655 316 1HG2 ILE 41 HG21 ILE 41 125.498 -0.619 4.159 317 2HG2 ILE 41 HG22 ILE 41 124.916 -2.271 4.393 318 3HG2 ILE 41 HG23 ILE 41 123.795 -0.920 4.497 319 1HD1 ILE 41 HD11 ILE 41 126.401 0.216 1.702 320 2HD1 ILE 41 HD12 ILE 41 127.547 -0.954 1.100 321 3HD1 ILE 41 HD13 ILE 41 127.234 -0.843 2.847 322 H GLU 42 HN GLU 42 122.075 -2.649 4.422 323 HA GLU 42 HA GLU 42 123.318 -5.101 5.105 324 1HB GLU 42 HB2 GLU 42 121.449 -3.301 6.589 325 2HB GLU 42 HB1 GLU 42 121.861 -4.902 7.203 326 1HG GLU 42 HG2 GLU 42 124.176 -4.374 7.163 327 2HG GLU 42 HG1 GLU 42 123.922 -2.792 6.506 328 H PHE 43 HN PHE 43 120.573 -4.414 3.311 329 HA PHE 43 HA PHE 43 119.097 -6.749 3.827 330 1HB PHE 43 HB2 PHE 43 118.092 -4.999 2.518 331 2HB PHE 43 HB1 PHE 43 119.432 -4.999 1.385 332 HD1 PHE 43 HD1 PHE 43 116.456 -6.809 2.502 333 HD2 PHE 43 HD2 PHE 43 119.494 -6.498 -0.441 334 HE1 PHE 43 HE1 PHE 43 115.198 -8.306 1.039 335 HE2 PHE 43 HE2 PHE 43 118.246 -8.001 -1.910 336 HZ PHE 43 HZ PHE 43 116.090 -8.905 -1.174 337 H TRP 44 HN TRP 44 121.428 -5.953 1.234 338 HA TRP 44 HA TRP 44 121.546 -8.789 0.911 339 1HB TRP 44 HB2 TRP 44 123.113 -8.547 -1.007 340 2HB TRP 44 HB1 TRP 44 121.556 -7.781 -1.204 341 HD1 TRP 44 HD1 TRP 44 121.668 -5.517 -2.280 342 HE1 TRP 44 HE1 TRP 44 123.455 -3.739 -2.650 343 HE3 TRP 44 HE3 TRP 44 125.462 -7.571 0.482 344 HZ2 TRP 44 HZ2 TRP 44 126.106 -3.231 -1.840 345 HZ3 TRP 44 HZ3 TRP 44 127.591 -6.347 0.639 346 HH2 TRP 44 HH2 TRP 44 127.901 -4.229 -0.506 347 H ILE 45 HN ILE 45 123.423 -6.607 2.602 348 HA ILE 45 HA ILE 45 125.641 -8.282 2.953 349 HB ILE 45 HB ILE 45 124.544 -5.885 4.200 350 1HG1 ILE 45 HG12 ILE 45 127.374 -6.740 3.647 351 2HG1 ILE 45 HG11 ILE 45 126.321 -5.839 2.566 352 1HG2 ILE 45 HG21 ILE 45 126.389 -7.483 5.982 353 2HG2 ILE 45 HG22 ILE 45 124.661 -7.238 6.233 354 3HG2 ILE 45 HG23 ILE 45 125.741 -5.851 6.268 355 1HD1 ILE 45 HD11 ILE 45 127.392 -4.891 5.218 356 2HD1 ILE 45 HD12 ILE 45 126.310 -3.980 4.162 357 3HD1 ILE 45 HD13 ILE 45 127.937 -4.399 3.609 358 H ALA 46 HN ALA 46 122.444 -8.271 4.403 359 HA ALA 46 HA ALA 46 122.885 -10.242 6.365 360 1HB ALA 46 HB1 ALA 46 120.442 -10.768 6.041 361 2HB ALA 46 HB2 ALA 46 120.424 -9.634 4.702 362 3HB ALA 46 HB3 ALA 46 120.767 -9.058 6.338 363 H CYS 47 HN CYS 47 121.971 -10.366 2.968 364 HA CYS 47 HA CYS 47 121.814 -13.162 2.747 365 1HB CYS 47 HB2 CYS 47 120.789 -11.658 1.102 366 2HB CYS 47 HB1 CYS 47 122.382 -11.122 0.585 367 HG CYS 47 HG CYS 47 122.496 -14.300 0.292 368 H GLU 48 HN GLU 48 124.565 -11.031 2.693 369 HA GLU 48 HA GLU 48 126.291 -13.027 1.588 370 1HB GLU 48 HB2 GLU 48 126.952 -10.402 2.925 371 2HB GLU 48 HB1 GLU 48 128.145 -11.464 2.185 372 1HG GLU 48 HG2 GLU 48 125.850 -10.101 0.786 373 2HG GLU 48 HG1 GLU 48 127.554 -9.667 0.676 374 H ASP 49 HN ASP 49 125.605 -11.861 4.850 375 HA ASP 49 HA ASP 49 127.404 -13.626 6.214 376 1HB ASP 49 HB2 ASP 49 126.291 -11.754 7.401 377 2HB ASP 49 HB1 ASP 49 124.725 -12.515 7.145 378 H PHE 50 HN PHE 50 124.204 -13.858 5.001 379 HA PHE 50 HA PHE 50 123.585 -16.430 5.879 380 1HB PHE 50 HB2 PHE 50 121.796 -15.074 5.261 381 2HB PHE 50 HB1 PHE 50 122.554 -14.587 3.758 382 HD1 PHE 50 HD1 PHE 50 121.324 -15.195 2.037 383 HD2 PHE 50 HD2 PHE 50 121.712 -17.856 5.276 384 HE1 PHE 50 HE1 PHE 50 120.046 -16.896 0.779 385 HE2 PHE 50 HE2 PHE 50 120.434 -19.559 4.058 386 HZ PHE 50 HZ PHE 50 119.600 -19.073 1.811 387 H LYS 51 HN LYS 51 124.943 -15.323 2.735 388 HA LYS 51 HA LYS 51 125.115 -17.926 1.667 389 1HB LYS 51 HB2 LYS 51 126.397 -17.027 -0.174 390 2HB LYS 51 HB1 LYS 51 125.143 -15.884 0.231 391 1HG LYS 51 HG2 LYS 51 127.041 -14.585 -0.299 392 2HG LYS 51 HG1 LYS 51 126.969 -14.564 1.460 393 1HD LYS 51 HD2 LYS 51 128.707 -16.260 1.583 394 2HD LYS 51 HD1 LYS 51 128.708 -16.424 -0.168 395 1HE LYS 51 HE2 LYS 51 129.480 -13.935 1.355 396 2HE LYS 51 HE1 LYS 51 130.611 -15.109 0.690 397 1HZ LYS 51 HZ1 LYS 51 128.831 -13.245 -0.760 398 2HZ LYS 51 HZ2 LYS 51 129.451 -14.603 -1.523 399 3HZ LYS 51 HZ3 LYS 51 130.496 -13.424 -0.925 400 H LYS 52 HN LYS 52 126.985 -16.375 3.917 401 HA LYS 52 HA LYS 52 129.496 -17.633 3.730 402 1HB LYS 52 HB2 LYS 52 128.893 -15.651 5.084 403 2HB LYS 52 HB1 LYS 52 127.980 -16.705 6.164 404 1HG LYS 52 HG2 LYS 52 130.122 -17.841 6.718 405 2HG LYS 52 HG1 LYS 52 130.958 -16.617 5.748 406 1HD LYS 52 HD2 LYS 52 131.033 -15.827 7.990 407 2HD LYS 52 HD1 LYS 52 129.787 -14.884 7.160 408 1HE LYS 52 HE2 LYS 52 128.063 -16.403 8.097 409 2HE LYS 52 HE1 LYS 52 129.326 -17.229 9.007 410 1HZ LYS 52 HZ1 LYS 52 129.811 -14.847 9.893 411 2HZ LYS 52 HZ2 LYS 52 128.598 -15.747 10.551 412 3HZ LYS 52 HZ3 LYS 52 128.205 -14.530 9.444 413 H SER 53 HN SER 53 126.403 -18.845 4.621 414 HA SER 53 HA SER 53 127.218 -20.906 6.417 415 1HB SER 53 HB2 SER 53 124.668 -20.708 4.807 416 2HB SER 53 HB1 SER 53 124.928 -21.608 6.305 417 HG SER 53 HG SER 53 124.572 -18.915 5.837 418 H LYS 54 HN LYS 54 127.076 -23.163 5.955 419 HA LYS 54 HA LYS 54 127.162 -23.923 3.125 420 1HB LYS 54 HB2 LYS 54 128.983 -25.565 3.651 421 2HB LYS 54 HB1 LYS 54 129.478 -23.893 3.820 422 1HG LYS 54 HG2 LYS 54 130.462 -25.009 5.634 423 2HG LYS 54 HG1 LYS 54 129.066 -24.188 6.324 424 1HD LYS 54 HD2 LYS 54 127.800 -26.324 6.158 425 2HD LYS 54 HD1 LYS 54 129.272 -27.111 5.589 426 1HE LYS 54 HE2 LYS 54 130.387 -26.472 7.689 427 2HE LYS 54 HE1 LYS 54 128.872 -25.762 8.249 428 1HZ LYS 54 HZ1 LYS 54 127.845 -27.967 8.073 429 2HZ LYS 54 HZ2 LYS 54 129.196 -27.989 9.116 430 3HZ LYS 54 HZ3 LYS 54 129.315 -28.610 7.568 431 H GLY 55 HN GLY 55 125.592 -24.158 5.916 432 1HA GLY 55 HA2 GLY 55 124.944 -27.005 5.692 433 2HA GLY 55 HA1 GLY 55 124.649 -25.991 7.106 434 HA PRO 56 HA PRO 56 121.519 -25.363 3.388 435 1HB PRO 56 HB2 PRO 56 120.483 -28.130 3.493 436 2HB PRO 56 HB1 PRO 56 120.866 -27.069 2.120 437 1HG PRO 56 HG2 PRO 56 122.441 -29.150 2.765 438 2HG PRO 56 HG1 PRO 56 123.077 -27.640 2.088 439 1HD PRO 56 HD2 PRO 56 123.083 -28.602 4.917 440 2HD PRO 56 HD1 PRO 56 124.346 -27.734 4.018 441 H GLN 57 HN GLN 57 121.106 -27.281 6.307 442 HA GLN 57 HA GLN 57 118.365 -26.670 6.632 443 1HB GLN 57 HB2 GLN 57 118.602 -27.318 8.997 444 2HB GLN 57 HB1 GLN 57 119.312 -28.527 7.942 445 1HG GLN 57 HG2 GLN 57 120.964 -26.429 9.342 446 2HG GLN 57 HG1 GLN 57 120.498 -27.920 10.138 447 1HE2 GLN 57 HE21 GLN 57 122.608 -28.523 10.387 448 2HE2 GLN 57 HE22 GLN 57 123.602 -29.087 9.093 449 H GLN 58 HN GLN 58 121.325 -25.145 7.757 450 HA GLN 58 HA GLN 58 120.125 -23.057 9.238 451 1HB GLN 58 HB2 GLN 58 122.490 -23.674 9.531 452 2HB GLN 58 HB1 GLN 58 122.833 -23.210 7.873 453 1HG GLN 58 HG2 GLN 58 123.616 -21.513 9.399 454 2HG GLN 58 HG1 GLN 58 122.290 -20.882 8.425 455 1HE2 GLN 58 HE21 GLN 58 123.345 -21.757 11.578 456 2HE2 GLN 58 HE22 GLN 58 121.985 -21.137 12.441 457 H ILE 59 HN ILE 59 121.043 -23.499 5.926 458 HA ILE 59 HA ILE 59 120.620 -20.919 4.965 459 HB ILE 59 HB ILE 59 120.363 -23.589 3.556 460 1HG1 ILE 59 HG12 ILE 59 122.590 -21.547 3.511 461 2HG1 ILE 59 HG11 ILE 59 122.545 -22.914 4.614 462 1HG2 ILE 59 HG21 ILE 59 120.563 -22.315 1.420 463 2HG2 ILE 59 HG22 ILE 59 120.466 -20.805 2.341 464 3HG2 ILE 59 HG23 ILE 59 119.104 -21.888 2.312 465 1HD1 ILE 59 HD11 ILE 59 122.752 -22.995 1.615 466 2HD1 ILE 59 HD12 ILE 59 122.532 -24.408 2.655 467 3HD1 ILE 59 HD13 ILE 59 123.981 -23.421 2.822 468 H HIS 60 HN HIS 60 118.332 -23.615 5.299 469 HA HIS 60 HA HIS 60 116.062 -22.323 4.207 470 1HB HIS 60 HB2 HIS 60 116.227 -24.414 6.379 471 2HB HIS 60 HB1 HIS 60 114.693 -23.739 5.866 472 HD1 HIS 60 HD1 HIS 60 113.779 -24.489 3.575 473 HD2 HIS 60 HD2 HIS 60 117.402 -26.193 4.641 474 HE1 HIS 60 HE1 HIS 60 114.090 -26.412 2.009 475 HE2 HIS 60 HE2 HIS 60 116.405 -27.205 2.443 476 H LEU 61 HN LEU 61 117.312 -22.372 7.453 477 HA LEU 61 HA LEU 61 115.285 -20.923 8.759 478 1HB LEU 61 HB2 LEU 61 118.192 -20.869 9.467 479 2HB LEU 61 HB1 LEU 61 116.810 -20.739 10.534 480 HG LEU 61 HG LEU 61 117.638 -23.206 9.046 481 1HD1 LEU 61 HD11 LEU 61 119.176 -22.514 10.704 482 2HD1 LEU 61 HD12 LEU 61 118.381 -24.035 11.143 483 3HD1 LEU 61 HD13 LEU 61 117.914 -22.512 11.943 484 1HD2 LEU 61 HD21 LEU 61 115.506 -22.812 11.146 485 2HD2 LEU 61 HD22 LEU 61 116.001 -24.353 10.419 486 3HD2 LEU 61 HD23 LEU 61 115.249 -23.109 9.424 487 H LYS 62 HN LYS 62 118.530 -19.922 7.949 488 HA LYS 62 HA LYS 62 118.352 -17.191 8.361 489 1HB LYS 62 HB2 LYS 62 120.048 -18.729 6.419 490 2HB LYS 62 HB1 LYS 62 120.215 -17.006 6.663 491 1HG LYS 62 HG2 LYS 62 120.519 -19.040 8.852 492 2HG LYS 62 HG1 LYS 62 121.857 -18.431 7.873 493 1HD LYS 62 HD2 LYS 62 121.310 -16.161 8.587 494 2HD LYS 62 HD1 LYS 62 120.039 -16.797 9.641 495 1HE LYS 62 HE2 LYS 62 121.741 -18.098 10.865 496 2HE LYS 62 HE1 LYS 62 122.991 -17.423 9.822 497 1HZ LYS 62 HZ1 LYS 62 122.884 -16.220 11.922 498 2HZ LYS 62 HZ2 LYS 62 121.252 -15.922 11.690 499 3HZ LYS 62 HZ3 LYS 62 122.375 -15.190 10.676 500 H ALA 63 HN ALA 63 117.840 -18.872 5.223 501 HA ALA 63 HA ALA 63 117.399 -16.546 3.720 502 1HB ALA 63 HB1 ALA 63 116.281 -19.296 3.232 503 2HB ALA 63 HB2 ALA 63 117.838 -18.720 2.641 504 3HB ALA 63 HB3 ALA 63 116.328 -17.990 2.057 505 H LYS 64 HN LYS 64 115.100 -18.741 5.258 506 HA LYS 64 HA LYS 64 112.872 -17.286 4.280 507 1HB LYS 64 HB2 LYS 64 112.979 -19.737 4.940 508 2HB LYS 64 HB1 LYS 64 112.856 -19.158 6.600 509 1HG LYS 64 HG2 LYS 64 110.695 -18.318 6.260 510 2HG LYS 64 HG1 LYS 64 110.835 -18.446 4.504 511 1HD LYS 64 HD2 LYS 64 110.973 -20.892 4.733 512 2HD LYS 64 HD1 LYS 64 110.703 -20.723 6.474 513 1HE LYS 64 HE2 LYS 64 108.557 -19.655 6.041 514 2HE LYS 64 HE1 LYS 64 108.883 -19.760 4.308 515 1HZ LYS 64 HZ1 LYS 64 108.668 -22.165 6.050 516 2HZ LYS 64 HZ2 LYS 64 108.684 -22.110 4.368 517 3HZ LYS 64 HZ3 LYS 64 107.372 -21.517 5.212 518 H ALA 65 HN ALA 65 114.820 -17.032 7.091 519 HA ALA 65 HA ALA 65 113.132 -15.336 8.612 520 1HB ALA 65 HB1 ALA 65 116.148 -15.434 8.540 521 2HB ALA 65 HB2 ALA 65 115.111 -16.404 9.591 522 3HB ALA 65 HB3 ALA 65 115.174 -14.650 9.782 523 H ILE 66 HN ILE 66 115.837 -14.631 6.415 524 HA ILE 66 HA ILE 66 115.576 -11.827 6.374 525 HB ILE 66 HB ILE 66 116.682 -13.672 4.223 526 1HG1 ILE 66 HG12 ILE 66 118.096 -12.186 6.456 527 2HG1 ILE 66 HG11 ILE 66 117.851 -13.923 6.362 528 1HG2 ILE 66 HG21 ILE 66 117.959 -11.689 3.450 529 2HG2 ILE 66 HG22 ILE 66 116.965 -10.695 4.540 530 3HG2 ILE 66 HG23 ILE 66 116.212 -11.597 3.213 531 1HD1 ILE 66 HD11 ILE 66 120.111 -13.445 5.773 532 2HD1 ILE 66 HD12 ILE 66 119.628 -12.203 4.658 533 3HD1 ILE 66 HD13 ILE 66 119.306 -13.901 4.266 534 H TYR 67 HN TYR 67 114.238 -14.331 4.370 535 HA TYR 67 HA TYR 67 112.831 -12.977 2.411 536 1HB TYR 67 HB2 TYR 67 113.023 -15.357 2.412 537 2HB TYR 67 HB1 TYR 67 112.210 -15.481 3.963 538 HD1 TYR 67 HD1 TYR 67 111.596 -14.168 0.552 539 HD2 TYR 67 HD2 TYR 67 110.058 -16.150 3.953 540 HE1 TYR 67 HE1 TYR 67 109.479 -14.407 -0.596 541 HE2 TYR 67 HE2 TYR 67 107.909 -16.469 2.839 542 HH TYR 67 HH TYR 67 106.645 -15.511 1.133 543 H GLU 68 HN GLU 68 111.417 -13.998 5.563 544 HA GLU 68 HA GLU 68 109.086 -12.440 5.018 545 1HB GLU 68 HB2 GLU 68 109.940 -13.832 7.528 546 2HB GLU 68 HB1 GLU 68 108.391 -13.044 7.296 547 1HG GLU 68 HG2 GLU 68 108.025 -14.591 5.345 548 2HG GLU 68 HG1 GLU 68 109.458 -15.470 5.878 549 H LYS 69 HN LYS 69 112.039 -11.649 6.269 550 HA LYS 69 HA LYS 69 111.168 -9.521 8.029 551 1HB LYS 69 HB2 LYS 69 113.255 -10.954 8.285 552 2HB LYS 69 HB1 LYS 69 113.938 -10.043 6.957 553 1HG LYS 69 HG2 LYS 69 114.774 -9.088 8.936 554 2HG LYS 69 HG1 LYS 69 113.537 -7.971 8.345 555 1HD LYS 69 HD2 LYS 69 111.919 -8.945 9.877 556 2HD LYS 69 HD1 LYS 69 113.153 -10.078 10.445 557 1HE LYS 69 HE2 LYS 69 114.510 -8.170 11.217 558 2HE LYS 69 HE1 LYS 69 113.229 -7.072 10.711 559 1HZ LYS 69 HZ1 LYS 69 111.744 -8.198 12.304 560 2HZ LYS 69 HZ2 LYS 69 113.064 -7.489 13.060 561 3HZ LYS 69 HZ3 LYS 69 113.024 -9.161 12.810 562 H PHE 70 HN PHE 70 112.056 -9.937 4.672 563 HA PHE 70 HA PHE 70 112.203 -7.025 4.286 564 1HB PHE 70 HB2 PHE 70 114.166 -9.085 3.303 565 2HB PHE 70 HB1 PHE 70 114.071 -7.456 2.667 566 HD1 PHE 70 HD1 PHE 70 114.562 -5.541 4.234 567 HD2 PHE 70 HD2 PHE 70 115.406 -9.592 5.200 568 HE1 PHE 70 HE1 PHE 70 116.191 -4.796 5.914 569 HE2 PHE 70 HE2 PHE 70 117.028 -8.858 6.889 570 HZ PHE 70 HZ PHE 70 117.424 -6.456 7.247 571 H ILE 71 HN ILE 71 112.375 -10.083 2.572 572 HA ILE 71 HA ILE 71 111.533 -9.139 0.082 573 HB ILE 71 HB ILE 71 111.567 -11.965 1.181 574 1HG1 ILE 71 HG12 ILE 71 113.724 -10.941 1.333 575 2HG1 ILE 71 HG11 ILE 71 113.742 -12.135 0.038 576 1HG2 ILE 71 HG21 ILE 71 112.023 -12.495 -1.297 577 2HG2 ILE 71 HG22 ILE 71 111.093 -11.030 -1.627 578 3HG2 ILE 71 HG23 ILE 71 110.375 -12.401 -0.718 579 1HD1 ILE 71 HD11 ILE 71 113.507 -9.156 -0.301 580 2HD1 ILE 71 HD12 ILE 71 113.513 -10.334 -1.604 581 3HD1 ILE 71 HD13 ILE 71 114.943 -10.132 -0.591 582 H GLN 72 HN GLN 72 109.837 -10.232 2.817 583 HA GLN 72 HA GLN 72 107.305 -10.869 1.676 584 1HB GLN 72 HB2 GLN 72 107.992 -11.454 3.993 585 2HB GLN 72 HB1 GLN 72 107.940 -9.740 4.419 586 1HG GLN 72 HG2 GLN 72 105.941 -10.600 5.241 587 2HG GLN 72 HG1 GLN 72 105.499 -9.839 3.727 588 1HE2 GLN 72 HE21 GLN 72 104.128 -11.893 5.165 589 2HE2 GLN 72 HE22 GLN 72 103.999 -13.252 4.114 590 H THR 73 HN THR 73 105.479 -9.490 1.375 591 HA THR 73 HA THR 73 106.172 -6.740 0.862 592 HB THR 73 HB THR 73 103.598 -8.292 0.435 593 HG1 THR 73 HG1 THR 73 104.519 -8.911 -1.330 594 1HG2 THR 73 HG21 THR 73 104.381 -5.539 -0.532 595 2HG2 THR 73 HG22 THR 73 103.183 -5.924 0.710 596 3HG2 THR 73 HG23 THR 73 102.891 -6.403 -0.972 597 H ASP 74 HN ASP 74 104.104 -8.556 2.974 598 HA ASP 74 HA ASP 74 103.428 -6.187 4.526 599 1HB ASP 74 HB2 ASP 74 102.064 -7.684 5.962 600 2HB ASP 74 HB1 ASP 74 101.648 -7.834 4.266 601 H ALA 75 HN ALA 75 106.155 -7.253 4.275 602 HA ALA 75 HA ALA 75 107.127 -8.355 6.685 603 1HB ALA 75 HB1 ALA 75 109.305 -7.572 5.943 604 2HB ALA 75 HB2 ALA 75 108.562 -6.627 4.644 605 3HB ALA 75 HB3 ALA 75 108.443 -8.390 4.645 606 HA PRO 76 HA PRO 76 107.256 -4.863 9.458 607 1HB PRO 76 HB2 PRO 76 109.694 -5.281 10.660 608 2HB PRO 76 HB1 PRO 76 108.238 -6.187 11.081 609 1HG PRO 76 HG2 PRO 76 110.488 -6.958 9.266 610 2HG PRO 76 HG1 PRO 76 109.648 -7.937 10.482 611 1HD PRO 76 HD2 PRO 76 109.105 -8.164 7.875 612 2HD PRO 76 HD1 PRO 76 107.820 -8.307 9.085 613 H LYS 77 HN LYS 77 109.802 -5.563 7.257 614 HA LYS 77 HA LYS 77 110.715 -2.791 7.335 615 1HB LYS 77 HB2 LYS 77 112.555 -4.289 7.595 616 2HB LYS 77 HB1 LYS 77 112.016 -5.297 6.265 617 1HG LYS 77 HG2 LYS 77 113.940 -4.004 5.587 618 2HG LYS 77 HG1 LYS 77 112.521 -3.478 4.693 619 1HD LYS 77 HD2 LYS 77 113.714 -1.524 5.317 620 2HD LYS 77 HD1 LYS 77 112.300 -1.612 6.369 621 1HE LYS 77 HE2 LYS 77 113.659 -2.522 8.152 622 2HE LYS 77 HE1 LYS 77 115.070 -2.534 7.095 623 1HZ LYS 77 HZ1 LYS 77 113.652 -0.172 8.202 624 2HZ LYS 77 HZ2 LYS 77 114.669 -0.054 6.886 625 3HZ LYS 77 HZ3 LYS 77 115.286 -0.602 8.355 626 H GLU 78 HN GLU 78 110.244 -5.332 4.878 627 HA GLU 78 HA GLU 78 109.560 -5.358 2.811 628 1HB GLU 78 HB2 GLU 78 107.492 -4.205 3.266 629 2HB GLU 78 HB1 GLU 78 108.310 -2.662 3.439 630 1HG GLU 78 HG2 GLU 78 107.116 -2.648 1.373 631 2HG GLU 78 HG1 GLU 78 108.834 -2.724 1.011 632 H VAL 79 HN VAL 79 110.536 -4.854 0.872 633 HA VAL 79 HA VAL 79 112.767 -2.941 1.109 634 HB VAL 79 HB VAL 79 112.675 -5.497 -0.543 635 1HG1 VAL 79 HG11 VAL 79 114.152 -3.850 -1.534 636 2HG1 VAL 79 HG12 VAL 79 115.051 -5.205 -0.833 637 3HG1 VAL 79 HG13 VAL 79 114.988 -3.658 0.017 638 1HG2 VAL 79 HG21 VAL 79 114.102 -4.948 2.039 639 2HG2 VAL 79 HG22 VAL 79 114.331 -6.362 1.017 640 3HG2 VAL 79 HG23 VAL 79 112.765 -6.080 1.763 641 H ASN 80 HN ASN 80 113.166 -1.659 -0.653 642 HA ASN 80 HA ASN 80 111.018 -1.229 -2.543 643 1HB ASN 80 HB2 ASN 80 113.769 0.041 -2.282 644 2HB ASN 80 HB1 ASN 80 112.574 0.546 -3.468 645 1HD2 ASN 80 HD21 ASN 80 113.416 0.495 -0.072 646 2HD2 ASN 80 HD22 ASN 80 112.243 1.646 0.433 647 H LEU 81 HN LEU 81 111.714 -3.663 -2.796 648 HA LEU 81 HA LEU 81 113.701 -4.229 -4.821 649 1HB LEU 81 HB2 LEU 81 113.580 -5.557 -2.919 650 2HB LEU 81 HB1 LEU 81 111.848 -5.897 -3.087 651 HG LEU 81 HG LEU 81 112.619 -7.123 -5.223 652 1HD1 LEU 81 HD11 LEU 81 114.934 -7.829 -5.194 653 2HD1 LEU 81 HD12 LEU 81 115.234 -6.843 -3.777 654 3HD1 LEU 81 HD13 LEU 81 114.808 -6.073 -5.315 655 1HD2 LEU 81 HD21 LEU 81 113.220 -9.131 -3.936 656 2HD2 LEU 81 HD22 LEU 81 111.862 -8.302 -3.197 657 3HD2 LEU 81 HD23 LEU 81 113.467 -8.152 -2.498 658 H ASP 82 HN ASP 82 112.911 -5.752 -6.591 659 HA ASP 82 HA ASP 82 110.632 -4.573 -7.892 660 1HB ASP 82 HB2 ASP 82 112.662 -5.048 -9.170 661 2HB ASP 82 HB1 ASP 82 112.529 -6.754 -8.761 662 H PHE 83 HN PHE 83 108.816 -5.733 -8.589 663 HA PHE 83 HA PHE 83 107.791 -7.519 -6.655 664 1HB PHE 83 HB2 PHE 83 105.761 -7.605 -8.060 665 2HB PHE 83 HB1 PHE 83 106.301 -5.959 -7.783 666 HD1 PHE 83 HD1 PHE 83 107.344 -4.678 -9.634 667 HD2 PHE 83 HD2 PHE 83 105.670 -8.545 -10.246 668 HE1 PHE 83 HE1 PHE 83 107.295 -4.274 -12.057 669 HE2 PHE 83 HE2 PHE 83 105.623 -8.145 -12.671 670 HZ PHE 83 HZ PHE 83 106.440 -6.006 -13.576 671 H HIS 84 HN HIS 84 109.345 -8.042 -9.753 672 HA HIS 84 HA HIS 84 108.488 -10.782 -9.894 673 1HB HIS 84 HB2 HIS 84 108.861 -9.667 -12.004 674 2HB HIS 84 HB1 HIS 84 110.472 -9.162 -11.518 675 HD1 HIS 84 HD1 HIS 84 108.569 -12.307 -12.414 676 HD2 HIS 84 HD2 HIS 84 112.469 -10.907 -12.231 677 HE1 HIS 84 HE1 HIS 84 109.990 -14.115 -13.428 678 HE2 HIS 84 HE2 HIS 84 112.343 -13.360 -13.029 679 H THR 85 HN THR 85 111.235 -8.959 -8.747 680 HA THR 85 HA THR 85 112.991 -11.094 -8.387 681 HB THR 85 HB THR 85 112.769 -8.649 -6.633 682 HG1 THR 85 HG1 THR 85 113.820 -9.105 -9.214 683 1HG2 THR 85 HG21 THR 85 115.199 -9.024 -6.387 684 2HG2 THR 85 HG22 THR 85 115.049 -10.511 -7.319 685 3HG2 THR 85 HG23 THR 85 114.259 -10.354 -5.753 686 H LYS 86 HN LYS 86 110.787 -9.535 -6.035 687 HA LYS 86 HA LYS 86 111.272 -11.451 -4.042 688 1HB LYS 86 HB2 LYS 86 109.190 -10.640 -2.914 689 2HB LYS 86 HB1 LYS 86 110.323 -9.380 -3.357 690 1HG LYS 86 HG2 LYS 86 108.937 -8.624 -5.126 691 2HG LYS 86 HG1 LYS 86 107.892 -10.038 -4.990 692 1HD LYS 86 HD2 LYS 86 106.874 -8.023 -3.978 693 2HD LYS 86 HD1 LYS 86 107.123 -9.309 -2.804 694 1HE LYS 86 HE2 LYS 86 109.173 -8.164 -2.026 695 2HE LYS 86 HE1 LYS 86 108.865 -6.867 -3.180 696 1HZ LYS 86 HZ1 LYS 86 106.981 -7.634 -1.007 697 2HZ LYS 86 HZ2 LYS 86 106.853 -6.299 -2.017 698 3HZ LYS 86 HZ3 LYS 86 108.070 -6.358 -0.878 699 H GLU 87 HN GLU 87 109.013 -11.373 -6.634 700 HA GLU 87 HA GLU 87 107.356 -13.512 -6.027 701 1HB GLU 87 HB2 GLU 87 107.026 -12.055 -7.955 702 2HB GLU 87 HB1 GLU 87 108.467 -12.710 -8.715 703 1HG GLU 87 HG2 GLU 87 106.477 -13.655 -9.699 704 2HG GLU 87 HG1 GLU 87 107.420 -14.876 -8.829 705 H VAL 88 HN VAL 88 110.418 -13.637 -7.869 706 HA VAL 88 HA VAL 88 110.405 -16.436 -8.103 707 HB VAL 88 HB VAL 88 112.832 -14.607 -8.156 708 1HG1 VAL 88 HG11 VAL 88 112.427 -17.397 -9.222 709 2HG1 VAL 88 HG12 VAL 88 113.433 -16.955 -7.846 710 3HG1 VAL 88 HG13 VAL 88 113.873 -16.417 -9.474 711 1HG2 VAL 88 HG21 VAL 88 112.550 -14.651 -10.592 712 2HG2 VAL 88 HG22 VAL 88 111.127 -13.969 -9.795 713 3HG2 VAL 88 HG23 VAL 88 111.089 -15.621 -10.401 714 H ILE 89 HN ILE 89 111.707 -14.315 -5.643 715 HA ILE 89 HA ILE 89 113.088 -16.274 -4.157 716 HB ILE 89 HB ILE 89 111.796 -13.743 -3.104 717 1HG1 ILE 89 HG12 ILE 89 114.621 -14.223 -4.074 718 2HG1 ILE 89 HG11 ILE 89 113.380 -13.320 -4.937 719 1HG2 ILE 89 HG21 ILE 89 113.963 -15.493 -1.908 720 2HG2 ILE 89 HG22 ILE 89 112.334 -15.226 -1.261 721 3HG2 ILE 89 HG23 ILE 89 113.490 -13.910 -1.296 722 1HD1 ILE 89 HD11 ILE 89 114.778 -11.719 -3.890 723 2HD1 ILE 89 HD12 ILE 89 114.749 -12.625 -2.382 724 3HD1 ILE 89 HD13 ILE 89 113.291 -11.805 -2.912 725 H THR 90 HN THR 90 109.729 -15.083 -3.943 726 HA THR 90 HA THR 90 109.020 -16.521 -1.666 727 HB THR 90 HB THR 90 106.649 -16.293 -2.337 728 HG1 THR 90 HG1 THR 90 107.755 -15.618 -4.877 729 1HG2 THR 90 HG21 THR 90 107.763 -14.319 -1.390 730 2HG2 THR 90 HG22 THR 90 106.546 -13.861 -2.592 731 3HG2 THR 90 HG23 THR 90 108.253 -13.839 -3.015 732 H ASN 91 HN ASN 91 109.150 -17.558 -4.989 733 HA ASN 91 HA ASN 91 107.932 -20.107 -4.370 734 1HB ASN 91 HB2 ASN 91 109.207 -19.117 -6.925 735 2HB ASN 91 HB1 ASN 91 108.428 -20.683 -6.744 736 1HD2 ASN 91 HD21 ASN 91 107.958 -17.253 -7.019 737 2HD2 ASN 91 HD22 ASN 91 106.272 -17.286 -7.228 738 H SER 92 HN SER 92 111.101 -18.808 -4.470 739 HA SER 92 HA SER 92 112.256 -21.495 -4.600 740 1HB SER 92 HB2 SER 92 113.609 -18.808 -4.862 741 2HB SER 92 HB1 SER 92 114.333 -20.391 -5.168 742 HG SER 92 HG SER 92 112.454 -18.952 -6.644 743 H ILE 93 HN ILE 93 111.135 -19.610 -2.231 744 HA ILE 93 HA ILE 93 113.456 -19.593 -0.538 745 HB ILE 93 HB ILE 93 111.651 -17.811 -0.454 746 1HG1 ILE 93 HG12 ILE 93 111.642 -17.625 2.030 747 2HG1 ILE 93 HG11 ILE 93 112.378 -19.221 2.121 748 1HG2 ILE 93 HG21 ILE 93 110.097 -19.896 1.042 749 2HG2 ILE 93 HG22 ILE 93 109.738 -19.314 -0.568 750 3HG2 ILE 93 HG23 ILE 93 109.624 -18.206 0.813 751 1HD1 ILE 93 HD11 ILE 93 113.525 -16.690 0.946 752 2HD1 ILE 93 HD12 ILE 93 114.254 -18.282 0.692 753 3HD1 ILE 93 HD13 ILE 93 114.147 -17.622 2.312 754 H THR 94 HN THR 94 110.748 -21.615 -1.116 755 HA THR 94 HA THR 94 110.877 -23.275 1.137 756 HB THR 94 HB THR 94 108.949 -23.332 -0.358 757 HG1 THR 94 HG1 THR 94 110.177 -25.897 -0.586 758 1HG2 THR 94 HG21 THR 94 110.082 -22.903 -2.477 759 2HG2 THR 94 HG22 THR 94 109.054 -24.335 -2.606 760 3HG2 THR 94 HG23 THR 94 110.801 -24.512 -2.437 761 H GLN 95 HN GLN 95 112.920 -23.022 -1.633 762 HA GLN 95 HA GLN 95 114.603 -25.098 -0.567 763 1HB GLN 95 HB2 GLN 95 115.131 -25.853 -2.934 764 2HB GLN 95 HB1 GLN 95 113.550 -26.314 -2.331 765 1HG GLN 95 HG2 GLN 95 112.518 -24.514 -3.615 766 2HG GLN 95 HG1 GLN 95 114.107 -24.001 -4.185 767 1HE2 GLN 95 HE21 GLN 95 113.522 -24.328 -6.345 768 2HE2 GLN 95 HE22 GLN 95 113.365 -25.922 -6.988 769 HA PRO 96 HA PRO 96 116.593 -21.086 -1.386 770 1HB PRO 96 HB2 PRO 96 117.879 -20.828 0.941 771 2HB PRO 96 HB1 PRO 96 116.162 -20.464 0.770 772 1HG PRO 96 HG2 PRO 96 117.442 -22.953 1.837 773 2HG PRO 96 HG1 PRO 96 116.075 -22.029 2.492 774 1HD PRO 96 HD2 PRO 96 115.726 -24.278 0.989 775 2HD PRO 96 HD1 PRO 96 114.585 -22.925 1.007 776 H THR 97 HN THR 97 118.789 -20.423 -1.183 777 HA THR 97 HA THR 97 120.865 -22.417 -1.456 778 HB THR 97 HB THR 97 121.549 -20.913 -3.487 779 HG1 THR 97 HG1 THR 97 118.778 -20.683 -3.879 780 1HG2 THR 97 HG21 THR 97 120.324 -22.401 -5.038 781 2HG2 THR 97 HG22 THR 97 119.281 -22.890 -3.688 782 3HG2 THR 97 HG23 THR 97 120.998 -23.278 -3.655 783 H LEU 98 HN LEU 98 122.916 -20.742 -1.970 784 HA LEU 98 HA LEU 98 123.024 -19.192 0.439 785 1HB LEU 98 HB2 LEU 98 125.006 -19.257 -1.847 786 2HB LEU 98 HB1 LEU 98 125.285 -18.543 -0.279 787 HG LEU 98 HG LEU 98 126.470 -20.510 -0.227 788 1HD1 LEU 98 HD11 LEU 98 125.388 -21.967 1.385 789 2HD1 LEU 98 HD12 LEU 98 123.856 -21.183 1.065 790 3HD1 LEU 98 HD13 LEU 98 125.187 -20.258 1.775 791 1HD2 LEU 98 HD21 LEU 98 125.637 -21.525 -2.245 792 2HD2 LEU 98 HD22 LEU 98 124.119 -21.932 -1.448 793 3HD2 LEU 98 HD23 LEU 98 125.623 -22.706 -0.933 794 H HIS 99 HN HIS 99 122.673 -18.560 -2.939 795 HA HIS 99 HA HIS 99 122.147 -15.788 -2.232 796 1HB HIS 99 HB2 HIS 99 123.471 -16.891 -4.670 797 2HB HIS 99 HB1 HIS 99 122.529 -15.414 -4.820 798 HD1 HIS 99 HD1 HIS 99 125.303 -14.899 -5.444 799 HD2 HIS 99 HD2 HIS 99 124.064 -15.054 -1.485 800 HE1 HIS 99 HE1 HIS 99 126.915 -13.443 -4.174 801 HE2 HIS 99 HE2 HIS 99 125.864 -13.245 -1.901 802 H SER 100 HN SER 100 120.078 -17.114 -1.664 803 HA SER 100 HA SER 100 118.236 -17.458 -3.817 804 1HB SER 100 HB2 SER 100 117.707 -17.081 -0.855 805 2HB SER 100 HB1 SER 100 116.552 -17.684 -2.049 806 HG SER 100 HG SER 100 118.669 -19.062 -2.411 807 H PHE 101 HN PHE 101 119.523 -14.826 -2.331 808 HA PHE 101 HA PHE 101 117.325 -13.065 -3.168 809 1HB PHE 101 HB2 PHE 101 119.553 -12.450 -1.204 810 2HB PHE 101 HB1 PHE 101 118.107 -11.494 -1.504 811 HD1 PHE 101 HD1 PHE 101 119.566 -14.174 0.394 812 HD2 PHE 101 HD2 PHE 101 115.857 -12.451 -0.792 813 HE1 PHE 101 HE1 PHE 101 118.428 -15.384 2.194 814 HE2 PHE 101 HE2 PHE 101 114.728 -13.689 1.051 815 HZ PHE 101 HZ PHE 101 116.018 -15.131 2.510 816 H ASP 102 HN ASP 102 119.488 -14.312 -4.823 817 HA ASP 102 HA ASP 102 121.619 -12.501 -5.214 818 1HB ASP 102 HB2 ASP 102 122.288 -13.767 -7.113 819 2HB ASP 102 HB1 ASP 102 121.604 -14.927 -5.991 820 H ALA 103 HN ALA 103 118.485 -12.752 -6.789 821 HA ALA 103 HA ALA 103 119.130 -10.790 -8.775 822 1HB ALA 103 HB1 ALA 103 117.427 -12.502 -9.199 823 2HB ALA 103 HB2 ALA 103 116.727 -10.887 -9.309 824 3HB ALA 103 HB3 ALA 103 116.454 -11.870 -7.871 825 H ALA 104 HN ALA 104 117.816 -10.913 -5.648 826 HA ALA 104 HA ALA 104 116.727 -8.287 -5.600 827 1HB ALA 104 HB1 ALA 104 117.360 -10.162 -3.317 828 2HB ALA 104 HB2 ALA 104 115.843 -10.035 -4.243 829 3HB ALA 104 HB3 ALA 104 116.371 -8.685 -3.245 830 H GLN 105 HN GLN 105 119.731 -9.750 -4.662 831 HA GLN 105 HA GLN 105 120.929 -7.599 -3.369 832 1HB GLN 105 HB2 GLN 105 121.863 -9.833 -3.316 833 2HB GLN 105 HB1 GLN 105 122.119 -9.805 -5.049 834 1HG GLN 105 HG2 GLN 105 123.870 -8.224 -4.851 835 2HG GLN 105 HG1 GLN 105 123.491 -7.921 -3.155 836 1HE2 GLN 105 HE21 GLN 105 124.071 -9.414 -1.620 837 2HE2 GLN 105 HE22 GLN 105 125.182 -10.689 -1.900 838 H SER 106 HN SER 106 120.990 -8.517 -6.808 839 HA SER 106 HA SER 106 122.453 -6.317 -7.697 840 1HB SER 106 HB2 SER 106 120.330 -7.848 -9.201 841 2HB SER 106 HB1 SER 106 121.694 -6.963 -9.892 842 HG SER 106 HG SER 106 121.704 -9.415 -9.411 843 H ARG 107 HN ARG 107 118.954 -6.800 -7.260 844 HA ARG 107 HA ARG 107 118.012 -4.378 -8.322 845 1HB ARG 107 HB2 ARG 107 116.920 -6.140 -6.156 846 2HB ARG 107 HB1 ARG 107 116.109 -4.677 -6.682 847 1HG ARG 107 HG2 ARG 107 116.738 -7.064 -8.407 848 2HG ARG 107 HG1 ARG 107 115.163 -6.658 -7.721 849 1HD ARG 107 HD2 ARG 107 116.733 -5.095 -9.766 850 2HD ARG 107 HD1 ARG 107 115.204 -5.940 -10.008 851 HE ARG 107 HE ARG 107 115.141 -3.862 -7.989 852 1HH1 ARG 107 HH11 ARG 107 114.439 -4.650 -11.366 853 2HH1 ARG 107 HH12 ARG 107 113.597 -3.184 -11.628 854 1HH2 ARG 107 HH21 ARG 107 113.999 -1.982 -8.358 855 2HH2 ARG 107 HH22 ARG 107 113.321 -1.613 -9.876 856 H VAL 108 HN VAL 108 118.852 -5.133 -4.981 857 HA VAL 108 HA VAL 108 118.298 -2.516 -4.099 858 HB VAL 108 HB VAL 108 119.808 -4.779 -2.784 859 1HG1 VAL 108 HG11 VAL 108 119.561 -3.525 -0.694 860 2HG1 VAL 108 HG12 VAL 108 118.920 -2.146 -1.587 861 3HG1 VAL 108 HG13 VAL 108 120.601 -2.651 -1.823 862 1HG2 VAL 108 HG21 VAL 108 117.073 -3.613 -2.416 863 2HG2 VAL 108 HG22 VAL 108 117.746 -4.974 -1.502 864 3HG2 VAL 108 HG23 VAL 108 117.464 -5.114 -3.246 865 H TYR 109 HN TYR 109 121.239 -4.059 -5.152 866 HA TYR 109 HA TYR 109 123.070 -2.096 -4.486 867 1HB TYR 109 HB2 TYR 109 123.991 -4.073 -5.267 868 2HB TYR 109 HB1 TYR 109 122.898 -4.183 -6.628 869 HD1 TYR 109 HD1 TYR 109 123.404 -3.003 -8.687 870 HD2 TYR 109 HD2 TYR 109 126.078 -2.824 -5.390 871 HE1 TYR 109 HE1 TYR 109 125.110 -2.169 -10.166 872 HE2 TYR 109 HE2 TYR 109 127.847 -1.970 -6.873 873 HH TYR 109 HH TYR 109 127.121 -0.953 -10.102 874 H GLN 110 HN GLN 110 121.153 -2.330 -7.497 875 HA GLN 110 HA GLN 110 122.153 0.191 -8.440 876 1HB GLN 110 HB2 GLN 110 120.320 -0.036 -10.179 877 2HB GLN 110 HB1 GLN 110 121.524 -1.317 -10.148 878 1HG GLN 110 HG2 GLN 110 120.073 -2.802 -9.113 879 2HG GLN 110 HG1 GLN 110 118.904 -1.558 -8.714 880 1HE2 GLN 110 HE21 GLN 110 118.615 -4.057 -10.176 881 2HE2 GLN 110 HE22 GLN 110 117.988 -3.660 -11.738 882 H LEU 111 HN LEU 111 119.334 -0.882 -6.734 883 HA LEU 111 HA LEU 111 117.616 1.251 -6.773 884 1HB LEU 111 HB2 LEU 111 117.103 -0.848 -5.738 885 2HB LEU 111 HB1 LEU 111 118.390 -0.644 -4.574 886 HG LEU 111 HG LEU 111 117.135 1.286 -3.664 887 1HD1 LEU 111 HD11 LEU 111 114.723 1.404 -4.153 888 2HD1 LEU 111 HD12 LEU 111 114.956 0.206 -5.433 889 3HD1 LEU 111 HD13 LEU 111 115.723 1.787 -5.557 890 1HD2 LEU 111 HD21 LEU 111 117.162 -0.866 -2.585 891 2HD2 LEU 111 HD22 LEU 111 115.837 -1.425 -3.602 892 3HD2 LEU 111 HD23 LEU 111 115.559 -0.143 -2.418 893 H MET 112 HN MET 112 120.114 0.626 -4.315 894 HA MET 112 HA MET 112 119.786 3.284 -3.304 895 1HB MET 112 HB2 MET 112 121.624 2.737 -1.717 896 2HB MET 112 HB1 MET 112 120.254 1.642 -1.651 897 1HG MET 112 HG2 MET 112 121.494 0.017 -2.963 898 2HG MET 112 HG1 MET 112 122.865 1.125 -3.031 899 1HE MET 112 HE1 MET 112 122.517 -1.993 -1.847 900 2HE MET 112 HE2 MET 112 123.810 -1.887 -0.643 901 3HE MET 112 HE3 MET 112 124.031 -1.184 -2.251 902 H GLU 113 HN GLU 113 121.794 1.899 -5.697 903 HA GLU 113 HA GLU 113 123.910 3.740 -5.621 904 1HB GLU 113 HB2 GLU 113 123.946 1.735 -7.070 905 2HB GLU 113 HB1 GLU 113 122.630 2.417 -8.022 906 1HG GLU 113 HG2 GLU 113 124.069 4.252 -8.726 907 2HG GLU 113 HG1 GLU 113 125.386 3.602 -7.755 908 H GLN 114 HN GLN 114 120.994 3.765 -7.612 909 HA GLN 114 HA GLN 114 121.481 6.409 -8.586 910 1HB GLN 114 HB2 GLN 114 119.383 6.125 -9.796 911 2HB GLN 114 HB1 GLN 114 120.407 4.704 -9.966 912 1HG GLN 114 HG2 GLN 114 119.088 3.587 -8.219 913 2HG GLN 114 HG1 GLN 114 118.015 4.986 -8.157 914 1HE2 GLN 114 HE21 GLN 114 117.343 2.283 -8.762 915 2HE2 GLN 114 HE22 GLN 114 116.670 2.243 -10.341 916 H ASP 115 HN ASP 115 120.547 5.604 -5.624 917 HA ASP 115 HA ASP 115 118.731 7.911 -5.399 918 1HB ASP 115 HB2 ASP 115 117.488 5.755 -5.212 919 2HB ASP 115 HB1 ASP 115 118.469 5.350 -3.808 920 H SER 116 HN SER 116 120.671 5.708 -3.345 921 HA SER 116 HA SER 116 121.104 7.860 -1.466 922 1HB SER 116 HB2 SER 116 121.917 4.958 -1.342 923 2HB SER 116 HB1 SER 116 121.944 6.119 -0.013 924 HG SER 116 HG SER 116 119.756 6.265 -0.097 925 H TYR 117 HN TYR 117 122.932 6.084 -3.935 926 HA TYR 117 HA TYR 117 125.485 6.586 -2.794 927 1HB TYR 117 HB2 TYR 117 125.224 4.689 -4.143 928 2HB TYR 117 HB1 TYR 117 124.506 5.648 -5.453 929 HD1 TYR 117 HD1 TYR 117 125.748 5.715 -7.293 930 HD2 TYR 117 HD2 TYR 117 127.758 5.670 -3.554 931 HE1 TYR 117 HE1 TYR 117 127.887 5.747 -8.460 932 HE2 TYR 117 HE2 TYR 117 129.926 5.704 -4.730 933 HH TYR 117 HH TYR 117 130.866 5.255 -6.798 934 H THR 118 HN THR 118 123.489 8.191 -5.121 935 HA THR 118 HA THR 118 125.329 10.073 -6.051 936 HB THR 118 HB THR 118 123.090 11.321 -6.472 937 HG1 THR 118 HG1 THR 118 121.292 10.231 -5.851 938 1HG2 THR 118 HG21 THR 118 122.496 9.721 -8.260 939 2HG2 THR 118 HG22 THR 118 123.500 8.493 -7.478 940 3HG2 THR 118 HG23 THR 118 124.248 9.934 -8.164 941 H ARG 119 HN ARG 119 122.936 10.146 -3.461 942 HA ARG 119 HA ARG 119 123.538 12.683 -2.377 943 1HB ARG 119 HB2 ARG 119 122.443 10.235 -0.974 944 2HB ARG 119 HB1 ARG 119 122.466 11.853 -0.295 945 1HG ARG 119 HG2 ARG 119 120.944 12.622 -2.008 946 2HG ARG 119 HG1 ARG 119 120.980 11.030 -2.776 947 1HD ARG 119 HD2 ARG 119 120.047 10.039 -0.732 948 2HD ARG 119 HD1 ARG 119 119.984 11.638 0.008 949 HE ARG 119 HE ARG 119 118.425 12.259 -1.748 950 1HH1 ARG 119 HH11 ARG 119 118.757 8.848 -0.840 951 2HH1 ARG 119 HH12 ARG 119 117.368 8.321 -1.633 952 1HH2 ARG 119 HH21 ARG 119 116.398 11.579 -2.722 953 2HH2 ARG 119 HH22 ARG 119 115.922 9.944 -2.689 954 H PHE 120 HN PHE 120 124.792 9.463 -1.693 955 HA PHE 120 HA PHE 120 126.513 10.091 0.394 956 1HB PHE 120 HB2 PHE 120 126.123 7.787 -0.053 957 2HB PHE 120 HB1 PHE 120 126.641 7.945 -1.725 958 HD1 PHE 120 HD1 PHE 120 127.901 8.040 1.791 959 HD2 PHE 120 HD2 PHE 120 128.843 7.535 -2.330 960 HE1 PHE 120 HE1 PHE 120 130.212 7.310 2.386 961 HE2 PHE 120 HE2 PHE 120 131.105 6.822 -1.729 962 HZ PHE 120 HZ PHE 120 131.780 6.714 0.629 963 H LEU 121 HN LEU 121 127.104 10.120 -3.092 964 HA LEU 121 HA LEU 121 129.793 10.855 -2.917 965 1HB LEU 121 HB2 LEU 121 127.812 11.415 -5.113 966 2HB LEU 121 HB1 LEU 121 129.542 11.675 -5.252 967 HG LEU 121 HG LEU 121 128.153 9.032 -4.851 968 1HD1 LEU 121 HD11 LEU 121 129.689 10.144 -7.193 969 2HD1 LEU 121 HD12 LEU 121 127.941 9.919 -7.105 970 3HD1 LEU 121 HD13 LEU 121 129.011 8.520 -7.073 971 1HD2 LEU 121 HD21 LEU 121 130.273 9.111 -3.647 972 2HD2 LEU 121 HD22 LEU 121 131.085 9.681 -5.091 973 3HD2 LEU 121 HD23 LEU 121 130.395 8.053 -5.056 974 H LYS 122 HN LYS 122 126.930 12.766 -2.614 975 HA LYS 122 HA LYS 122 128.575 15.182 -2.627 976 1HB LYS 122 HB2 LYS 122 126.515 15.075 -4.029 977 2HB LYS 122 HB1 LYS 122 125.565 14.932 -2.566 978 1HG LYS 122 HG2 LYS 122 125.523 17.196 -3.511 979 2HG LYS 122 HG1 LYS 122 126.208 17.168 -1.888 980 1HD LYS 122 HD2 LYS 122 127.464 18.645 -3.423 981 2HD LYS 122 HD1 LYS 122 128.451 17.331 -2.794 982 1HE LYS 122 HE2 LYS 122 128.861 17.714 -5.177 983 2HE LYS 122 HE1 LYS 122 128.195 16.112 -4.886 984 1HZ LYS 122 HZ1 LYS 122 126.580 18.449 -5.804 985 2HZ LYS 122 HZ2 LYS 122 126.066 16.835 -5.719 986 3HZ LYS 122 HZ3 LYS 122 127.248 17.286 -6.815 987 H SER 123 HN SER 123 127.717 12.935 -0.315 988 HA SER 123 HA SER 123 126.797 14.684 1.723 989 1HB SER 123 HB2 SER 123 127.131 12.790 3.209 990 2HB SER 123 HB1 SER 123 126.359 12.231 1.727 991 HG SER 123 HG SER 123 128.383 11.480 1.017 992 H ASP 124 HN ASP 124 127.981 15.382 3.524 993 HA ASP 124 HA ASP 124 130.586 16.290 2.982 994 1HB ASP 124 HB2 ASP 124 129.078 16.121 5.604 995 2HB ASP 124 HB1 ASP 124 130.649 16.900 5.438 996 H ILE 125 HN ILE 125 129.364 13.426 4.379 997 HA ILE 125 HA ILE 125 131.597 12.225 5.487 998 HB ILE 125 HB ILE 125 129.118 11.293 4.141 999 1HG1 ILE 125 HG12 ILE 125 130.269 10.727 6.875 1000 2HG1 ILE 125 HG11 ILE 125 129.056 11.938 6.484 1001 1HG2 ILE 125 HG21 ILE 125 131.314 9.327 4.711 1002 2HG2 ILE 125 HG22 ILE 125 130.515 9.759 3.178 1003 3HG2 ILE 125 HG23 ILE 125 129.604 8.921 4.426 1004 1HD1 ILE 125 HD11 ILE 125 128.056 9.980 7.518 1005 2HD1 ILE 125 HD12 ILE 125 128.722 8.952 6.249 1006 3HD1 ILE 125 HD13 ILE 125 127.498 10.157 5.855 1007 H TYR 126 HN TYR 126 130.508 11.895 2.090 1008 HA TYR 126 HA TYR 126 132.948 10.576 1.407 1009 1HB TYR 126 HB2 TYR 126 130.907 9.974 0.226 1010 2HB TYR 126 HB1 TYR 126 130.769 11.605 -0.415 1011 HD1 TYR 126 HD1 TYR 126 131.662 12.082 -2.487 1012 HD2 TYR 126 HD2 TYR 126 133.083 8.690 -0.381 1013 HE1 TYR 126 HE1 TYR 126 133.030 11.489 -4.403 1014 HE2 TYR 126 HE2 TYR 126 134.439 8.035 -2.284 1015 HH TYR 126 HH TYR 126 134.817 8.482 -4.477 1016 H LEU 127 HN LEU 127 131.786 13.847 1.187 1017 HA LEU 127 HA LEU 127 133.848 14.825 -0.471 1018 1HB LEU 127 HB2 LEU 127 132.400 16.317 1.730 1019 2HB LEU 127 HB1 LEU 127 133.337 17.051 0.445 1020 HG LEU 127 HG LEU 127 130.712 15.598 0.191 1021 1HD1 LEU 127 HD11 LEU 127 130.513 17.835 1.045 1022 2HD1 LEU 127 HD12 LEU 127 129.881 17.740 -0.599 1023 3HD1 LEU 127 HD13 LEU 127 131.464 18.460 -0.302 1024 1HD2 LEU 127 HD21 LEU 127 132.416 16.774 -2.004 1025 2HD2 LEU 127 HD22 LEU 127 130.787 16.115 -2.190 1026 3HD2 LEU 127 HD23 LEU 127 132.117 15.059 -1.727 1027 H ASP 128 HN ASP 128 133.646 14.166 2.933 1028 HA ASP 128 HA ASP 128 136.094 15.256 3.775 1029 1HB ASP 128 HB2 ASP 128 134.451 14.646 5.406 1030 2HB ASP 128 HB1 ASP 128 134.411 12.987 4.834 1031 H LEU 129 HN LEU 129 135.257 12.091 2.437 1032 HA LEU 129 HA LEU 129 137.890 10.958 2.690 1033 1HB LEU 129 HB2 LEU 129 136.037 10.058 0.434 1034 2HB LEU 129 HB1 LEU 129 137.245 9.248 1.309 1035 HG LEU 129 HG LEU 129 134.871 10.086 2.884 1036 1HD1 LEU 129 HD11 LEU 129 135.170 7.658 1.149 1037 2HD1 LEU 129 HD12 LEU 129 133.966 8.935 0.972 1038 3HD1 LEU 129 HD13 LEU 129 133.925 7.868 2.381 1039 1HD2 LEU 129 HD21 LEU 129 136.820 9.255 4.075 1040 2HD2 LEU 129 HD22 LEU 129 136.870 7.835 3.028 1041 3HD2 LEU 129 HD23 LEU 129 135.517 8.059 4.133 1042 H MET 130 HN MET 130 136.434 13.138 0.508 1043 HA MET 130 HA MET 130 138.354 12.836 -1.618 1044 1HB MET 130 HB2 MET 130 136.313 15.022 -1.131 1045 2HB MET 130 HB1 MET 130 137.295 14.879 -2.567 1046 1HG MET 130 HG2 MET 130 135.192 12.858 -1.715 1047 2HG MET 130 HG1 MET 130 134.947 14.159 -2.860 1048 1HE MET 130 HE1 MET 130 137.598 10.464 -3.583 1049 2HE MET 130 HE2 MET 130 136.439 10.580 -2.256 1050 3HE MET 130 HE3 MET 130 137.888 11.593 -2.258 1051 H GLU 131 HN GLU 131 137.483 15.725 0.133 1052 HA GLU 131 HA GLU 131 140.030 16.424 1.184 1053 1HB GLU 131 HB2 GLU 131 139.126 17.729 -1.402 1054 2HB GLU 131 HB1 GLU 131 140.057 18.630 -0.228 1055 1HG GLU 131 HG2 GLU 131 140.989 16.086 -1.534 1056 2HG GLU 131 HG1 GLU 131 141.362 17.705 -2.125 1057 H GLY 132 HN GLY 132 137.069 17.587 -0.265 1058 1HA GLY 132 HA2 GLY 132 135.373 18.129 1.598 1059 2HA GLY 132 HA1 GLY 132 136.544 19.410 1.949 1060 H ARG 133 HN ARG 133 137.431 20.270 -0.228 1061 HA ARG 133 HA ARG 133 135.594 20.462 -2.367 1062 1HB ARG 133 HB2 ARG 133 135.563 22.989 -2.336 1063 2HB ARG 133 HB1 ARG 133 134.599 22.227 -1.087 1064 1HG ARG 133 HG2 ARG 133 136.359 22.686 0.551 1065 2HG ARG 133 HG1 ARG 133 137.325 23.455 -0.712 1066 1HD ARG 133 HD2 ARG 133 136.040 25.060 0.691 1067 2HD ARG 133 HD1 ARG 133 135.668 25.157 -1.032 1068 HE ARG 133 HE ARG 133 133.938 23.392 0.410 1069 1HH1 ARG 133 HH11 ARG 133 134.462 26.820 -0.186 1070 2HH1 ARG 133 HH12 ARG 133 132.819 27.221 -0.357 1071 1HH2 ARG 133 HH21 ARG 133 131.623 23.906 0.270 1072 2HH2 ARG 133 HH22 ARG 133 131.157 25.507 -0.038 1073 HA PRO 134 HA PRO 134 139.576 20.553 -4.239 1074 1HB PRO 134 HB2 PRO 134 138.248 21.479 -6.684 1075 2HB PRO 134 HB1 PRO 134 139.072 19.947 -6.376 1076 1HG PRO 134 HG2 PRO 134 136.405 20.097 -6.663 1077 2HG PRO 134 HG1 PRO 134 137.173 18.935 -5.566 1078 1HD PRO 134 HD2 PRO 134 135.863 21.550 -4.941 1079 2HD PRO 134 HD1 PRO 134 135.748 19.997 -4.083 Start of MODEL 9 1 1H SER 1 HT1 SER 1 135.982 2.738 8.650 2 2H SER 1 HT2 SER 1 136.746 4.243 8.890 3 3H SER 1 HT3 SER 1 137.644 2.787 9.035 4 HA SER 1 HA SER 1 137.242 2.336 6.727 5 1HB SER 1 HB2 SER 1 136.163 5.162 6.681 6 2HB SER 1 HB1 SER 1 136.291 4.052 5.319 7 HG SER 1 HG SER 1 134.828 2.735 7.029 8 H MET 2 HN MET 2 139.341 2.282 6.498 9 HA MET 2 HA MET 2 140.908 4.732 6.850 10 1HB MET 2 HB2 MET 2 141.677 2.750 8.109 11 2HB MET 2 HB1 MET 2 141.779 1.837 6.614 12 1HG MET 2 HG2 MET 2 143.555 3.340 5.839 13 2HG MET 2 HG1 MET 2 143.459 4.224 7.360 14 1HE MET 2 HE1 MET 2 146.090 3.862 7.665 15 2HE MET 2 HE2 MET 2 146.151 2.945 6.161 16 3HE MET 2 HE3 MET 2 146.871 2.281 7.628 17 H VAL 3 HN VAL 3 140.370 5.718 4.958 18 HA VAL 3 HA VAL 3 141.381 4.409 2.559 19 HB VAL 3 HB VAL 3 138.965 4.106 2.448 20 1HG1 VAL 3 HG11 VAL 3 138.746 7.084 2.762 21 2HG1 VAL 3 HG12 VAL 3 138.288 5.883 3.973 22 3HG1 VAL 3 HG13 VAL 3 137.411 5.981 2.439 23 1HG2 VAL 3 HG21 VAL 3 138.453 5.184 0.366 24 2HG2 VAL 3 HG22 VAL 3 140.126 4.652 0.344 25 3HG2 VAL 3 HG23 VAL 3 139.734 6.363 0.594 26 H SER 4 HN SER 4 142.727 5.546 1.504 27 HA SER 4 HA SER 4 143.282 8.315 2.127 28 1HB SER 4 HB2 SER 4 144.362 6.551 -0.069 29 2HB SER 4 HB1 SER 4 145.111 7.996 0.615 30 HG SER 4 HG SER 4 144.672 6.409 2.653 31 HA PRO 5 HA PRO 5 140.598 10.413 -0.569 32 1HB PRO 5 HB2 PRO 5 143.012 11.858 -1.557 33 2HB PRO 5 HB1 PRO 5 141.483 12.504 -0.942 34 1HG PRO 5 HG2 PRO 5 143.623 12.554 0.589 35 2HG PRO 5 HG1 PRO 5 142.056 12.082 1.277 36 1HD PRO 5 HD2 PRO 5 144.372 10.362 0.478 37 2HD PRO 5 HD1 PRO 5 143.316 10.244 1.902 38 H GLU 6 HN GLU 6 143.508 9.084 -1.936 39 HA GLU 6 HA GLU 6 142.666 9.421 -4.685 40 1HB GLU 6 HB2 GLU 6 144.774 7.498 -3.672 41 2HB GLU 6 HB1 GLU 6 144.598 8.104 -5.307 42 1HG GLU 6 HG2 GLU 6 146.452 9.219 -4.390 43 2HG GLU 6 HG1 GLU 6 145.138 10.391 -4.381 44 H GLU 7 HN GLU 7 142.755 6.856 -2.336 45 HA GLU 7 HA GLU 7 141.725 4.748 -3.902 46 1HB GLU 7 HB2 GLU 7 142.895 4.435 -1.763 47 2HB GLU 7 HB1 GLU 7 141.618 5.296 -0.922 48 1HG GLU 7 HG2 GLU 7 141.240 3.046 -0.483 49 2HG GLU 7 HG1 GLU 7 140.069 3.472 -1.725 50 H ALA 8 HN ALA 8 140.374 7.308 -1.977 51 HA ALA 8 HA ALA 8 137.688 6.450 -2.127 52 1HB ALA 8 HB1 ALA 8 138.551 7.820 -0.292 53 2HB ALA 8 HB2 ALA 8 137.137 8.587 -1.014 54 3HB ALA 8 HB3 ALA 8 138.757 9.181 -1.383 55 H VAL 9 HN VAL 9 139.557 8.891 -4.068 56 HA VAL 9 HA VAL 9 137.333 9.684 -5.602 57 HB VAL 9 HB VAL 9 138.783 10.517 -7.365 58 1HG1 VAL 9 HG11 VAL 9 138.602 11.934 -5.478 59 2HG1 VAL 9 HG12 VAL 9 140.231 12.059 -6.149 60 3HG1 VAL 9 HG13 VAL 9 139.944 11.119 -4.681 61 1HG2 VAL 9 HG21 VAL 9 141.228 10.253 -7.347 62 2HG2 VAL 9 HG22 VAL 9 140.383 8.717 -7.568 63 3HG2 VAL 9 HG23 VAL 9 141.079 9.123 -6.000 64 H LYS 10 HN LYS 10 139.254 6.852 -5.805 65 HA LYS 10 HA LYS 10 138.475 5.935 -8.334 66 1HB LYS 10 HB2 LYS 10 138.937 4.299 -5.829 67 2HB LYS 10 HB1 LYS 10 138.858 3.648 -7.456 68 1HG LYS 10 HG2 LYS 10 140.912 5.613 -6.466 69 2HG LYS 10 HG1 LYS 10 141.154 3.873 -6.625 70 1HD LYS 10 HD2 LYS 10 140.769 4.037 -9.031 71 2HD LYS 10 HD1 LYS 10 140.497 5.774 -8.875 72 1HE LYS 10 HE2 LYS 10 142.781 6.068 -8.067 73 2HE LYS 10 HE1 LYS 10 143.053 4.332 -8.177 74 1HZ LYS 10 HZ1 LYS 10 142.362 6.057 -10.490 75 2HZ LYS 10 HZ2 LYS 10 142.806 4.439 -10.558 76 3HZ LYS 10 HZ3 LYS 10 143.935 5.603 -10.104 77 H TRP 11 HN TRP 11 136.828 5.856 -5.254 78 HA TRP 11 HA TRP 11 134.718 4.092 -5.868 79 1HB TRP 11 HB2 TRP 11 134.813 6.346 -3.870 80 2HB TRP 11 HB1 TRP 11 133.558 5.123 -3.920 81 HD1 TRP 11 HD1 TRP 11 136.319 3.071 -4.630 82 HE1 TRP 11 HE1 TRP 11 137.424 2.102 -2.583 83 HE3 TRP 11 HE3 TRP 11 134.311 6.201 -1.130 84 HZ2 TRP 11 HZ2 TRP 11 137.425 2.569 0.235 85 HZ3 TRP 11 HZ3 TRP 11 134.898 5.833 1.245 86 HH2 TRP 11 HH2 TRP 11 136.427 4.069 1.891 87 H GLY 12 HN GLY 12 135.188 7.446 -6.629 88 1HA GLY 12 HA2 GLY 12 132.469 8.225 -6.807 89 2HA GLY 12 HA1 GLY 12 133.838 9.069 -7.508 90 H GLU 13 HN GLU 13 134.428 6.418 -8.944 91 HA GLU 13 HA GLU 13 132.874 7.190 -11.268 92 1HB GLU 13 HB2 GLU 13 134.339 5.792 -12.564 93 2HB GLU 13 HB1 GLU 13 135.304 6.786 -11.482 94 1HG GLU 13 HG2 GLU 13 135.563 4.904 -9.974 95 2HG GLU 13 HG1 GLU 13 134.572 3.909 -11.032 96 H SER 14 HN SER 14 132.864 4.607 -8.904 97 HA SER 14 HA SER 14 130.610 3.427 -10.232 98 1HB SER 14 HB2 SER 14 133.132 1.786 -9.891 99 2HB SER 14 HB1 SER 14 131.574 1.184 -10.452 100 HG SER 14 HG SER 14 132.110 3.220 -11.974 101 H PHE 15 HN PHE 15 129.238 2.976 -8.735 102 HA PHE 15 HA PHE 15 129.658 2.964 -5.968 103 1HB PHE 15 HB2 PHE 15 127.463 3.391 -7.003 104 2HB PHE 15 HB1 PHE 15 127.405 1.746 -7.603 105 HD1 PHE 15 HD1 PHE 15 128.240 3.069 -4.199 106 HD2 PHE 15 HD2 PHE 15 125.597 0.748 -6.578 107 HE1 PHE 15 HE1 PHE 15 126.985 2.404 -2.173 108 HE2 PHE 15 HE2 PHE 15 124.358 0.085 -4.556 109 HZ PHE 15 HZ PHE 15 125.056 0.919 -2.365 110 H ASP 16 HN ASP 16 129.685 0.433 -8.347 111 HA ASP 16 HA ASP 16 129.746 -1.798 -6.699 112 1HB ASP 16 HB2 ASP 16 129.435 -2.112 -9.038 113 2HB ASP 16 HB1 ASP 16 130.966 -1.340 -9.417 114 H LYS 17 HN LYS 17 132.567 0.214 -7.749 115 HA LYS 17 HA LYS 17 134.289 -1.590 -6.292 116 1HB LYS 17 HB2 LYS 17 136.190 -0.150 -6.848 117 2HB LYS 17 HB1 LYS 17 135.276 -0.558 -8.282 118 1HG LYS 17 HG2 LYS 17 134.330 1.645 -8.366 119 2HG LYS 17 HG1 LYS 17 135.027 2.050 -6.796 120 1HD LYS 17 HD2 LYS 17 136.355 3.039 -8.571 121 2HD LYS 17 HD1 LYS 17 137.280 1.807 -7.734 122 1HE LYS 17 HE2 LYS 17 136.850 0.216 -9.521 123 2HE LYS 17 HE1 LYS 17 135.836 1.394 -10.352 124 1HZ LYS 17 HZ1 LYS 17 137.801 2.811 -10.633 125 2HZ LYS 17 HZ2 LYS 17 138.022 1.294 -11.325 126 3HZ LYS 17 HZ3 LYS 17 138.766 1.654 -9.856 127 H LEU 18 HN LEU 18 132.598 1.263 -5.632 128 HA LEU 18 HA LEU 18 133.876 2.086 -3.248 129 1HB LEU 18 HB2 LEU 18 132.279 3.558 -4.170 130 2HB LEU 18 HB1 LEU 18 131.094 2.290 -4.375 131 HG LEU 18 HG LEU 18 130.758 2.252 -1.911 132 1HD1 LEU 18 HD11 LEU 18 132.524 4.677 -1.935 133 2HD1 LEU 18 HD12 LEU 18 132.897 3.117 -1.204 134 3HD1 LEU 18 HD13 LEU 18 131.582 4.098 -0.564 135 1HD2 LEU 18 HD21 LEU 18 130.340 4.918 -3.237 136 2HD2 LEU 18 HD22 LEU 18 129.511 4.337 -1.791 137 3HD2 LEU 18 HD23 LEU 18 129.272 3.517 -3.333 138 H LEU 19 HN LEU 19 131.183 0.026 -3.946 139 HA LEU 19 HA LEU 19 130.528 -0.708 -1.321 140 1HB LEU 19 HB2 LEU 19 129.243 -0.523 -3.532 141 2HB LEU 19 HB1 LEU 19 129.800 -2.156 -3.799 142 HG LEU 19 HG LEU 19 128.588 -2.913 -1.850 143 1HD1 LEU 19 HD11 LEU 19 128.871 -0.816 -0.522 144 2HD1 LEU 19 HD12 LEU 19 127.189 -1.321 -0.564 145 3HD1 LEU 19 HD13 LEU 19 127.749 -0.002 -1.601 146 1HD2 LEU 19 HD21 LEU 19 127.504 -2.784 -4.040 147 2HD2 LEU 19 HD22 LEU 19 127.008 -1.131 -3.695 148 3HD2 LEU 19 HD23 LEU 19 126.342 -2.456 -2.750 149 H SER 20 HN SER 20 132.532 -2.178 -3.832 150 HA SER 20 HA SER 20 132.743 -4.682 -2.447 151 1HB SER 20 HB2 SER 20 134.396 -3.629 -4.748 152 2HB SER 20 HB1 SER 20 134.327 -5.304 -4.195 153 HG SER 20 HG SER 20 132.404 -3.739 -5.477 154 H HIS 21 HN HIS 21 134.130 -1.695 -1.975 155 HA HIS 21 HA HIS 21 136.665 -2.731 -0.908 156 1HB HIS 21 HB2 HIS 21 136.223 -0.383 -2.242 157 2HB HIS 21 HB1 HIS 21 135.740 0.113 -0.643 158 HD1 HIS 21 HD1 HIS 21 137.583 0.905 0.892 159 HD2 HIS 21 HD2 HIS 21 139.006 -1.221 -2.375 160 HE1 HIS 21 HE1 HIS 21 140.061 1.181 0.932 161 HE2 HIS 21 HE2 HIS 21 140.846 0.115 -1.194 162 H ARG 22 HN ARG 22 136.598 -3.277 1.295 163 HA ARG 22 HA ARG 22 134.140 -3.153 2.650 164 1HB ARG 22 HB2 ARG 22 135.847 -4.817 3.189 165 2HB ARG 22 HB1 ARG 22 136.899 -3.556 3.811 166 1HG ARG 22 HG2 ARG 22 135.402 -3.117 5.627 167 2HG ARG 22 HG1 ARG 22 134.193 -4.211 4.954 168 1HD ARG 22 HD2 ARG 22 136.950 -4.999 5.875 169 2HD ARG 22 HD1 ARG 22 135.468 -5.215 6.805 170 HE ARG 22 HE ARG 22 135.170 -6.428 4.274 171 1HH1 ARG 22 HH11 ARG 22 136.893 -6.929 7.325 172 2HH1 ARG 22 HH12 ARG 22 136.980 -8.618 7.145 173 1HH2 ARG 22 HH21 ARG 22 135.287 -8.716 4.022 174 2HH2 ARG 22 HH22 ARG 22 136.018 -9.674 5.220 175 H ASP 23 HN ASP 23 136.900 -1.024 2.813 176 HA ASP 23 HA ASP 23 135.843 0.644 4.872 177 1HB ASP 23 HB2 ASP 23 137.868 1.321 2.725 178 2HB ASP 23 HB1 ASP 23 137.450 2.395 4.052 179 H GLY 24 HN GLY 24 135.046 0.349 1.547 180 1HA GLY 24 HA2 GLY 24 133.905 3.034 1.415 181 2HA GLY 24 HA1 GLY 24 133.980 1.883 0.093 182 H LEU 25 HN LEU 25 132.977 -0.316 1.282 183 HA LEU 25 HA LEU 25 130.240 -0.024 1.270 184 1HB LEU 25 HB2 LEU 25 130.814 -2.214 1.017 185 2HB LEU 25 HB1 LEU 25 132.183 -2.091 2.090 186 HG LEU 25 HG LEU 25 129.461 -2.122 3.343 187 1HD1 LEU 25 HD11 LEU 25 129.361 -3.894 1.628 188 2HD1 LEU 25 HD12 LEU 25 129.450 -4.575 3.253 189 3HD1 LEU 25 HD13 LEU 25 130.882 -4.549 2.225 190 1HD2 LEU 25 HD21 LEU 25 131.498 -1.887 4.736 191 2HD2 LEU 25 HD22 LEU 25 132.154 -3.324 3.975 192 3HD2 LEU 25 HD23 LEU 25 130.730 -3.463 5.015 193 H GLU 26 HN GLU 26 132.538 0.085 3.893 194 HA GLU 26 HA GLU 26 130.628 0.503 5.904 195 1HB GLU 26 HB2 GLU 26 132.750 -0.425 6.348 196 2HB GLU 26 HB1 GLU 26 133.588 1.024 5.813 197 1HG GLU 26 HG2 GLU 26 132.523 2.285 7.668 198 2HG GLU 26 HG1 GLU 26 131.801 0.781 8.234 199 H ALA 27 HN ALA 27 132.498 2.757 3.826 200 HA ALA 27 HA ALA 27 131.746 5.102 5.218 201 1HB ALA 27 HB1 ALA 27 132.510 4.700 2.287 202 2HB ALA 27 HB2 ALA 27 133.544 5.374 3.557 203 3HB ALA 27 HB3 ALA 27 132.144 6.255 2.987 204 H PHE 28 HN PHE 28 130.284 3.339 2.543 205 HA PHE 28 HA PHE 28 128.102 5.137 2.271 206 1HB PHE 28 HB2 PHE 28 128.912 3.690 0.409 207 2HB PHE 28 HB1 PHE 28 128.295 2.285 1.267 208 HD1 PHE 28 HD1 PHE 28 125.990 1.714 1.153 209 HD2 PHE 28 HD2 PHE 28 127.352 5.411 -0.437 210 HE1 PHE 28 HE1 PHE 28 123.812 2.047 0.068 211 HE2 PHE 28 HE2 PHE 28 125.174 5.750 -1.525 212 HZ PHE 28 HZ PHE 28 123.401 4.065 -1.270 213 H THR 29 HN THR 29 128.535 2.042 4.001 214 HA THR 29 HA THR 29 125.818 1.819 4.588 215 HB THR 29 HB THR 29 127.371 -0.166 4.768 216 HG1 THR 29 HG1 THR 29 126.367 -0.947 6.761 217 1HG2 THR 29 HG21 THR 29 128.126 1.066 7.424 218 2HG2 THR 29 HG22 THR 29 129.201 0.887 6.035 219 3HG2 THR 29 HG23 THR 29 128.581 -0.544 6.863 220 H ARG 30 HN ARG 30 128.419 3.371 6.471 221 HA ARG 30 HA ARG 30 126.680 3.932 8.649 222 1HB ARG 30 HB2 ARG 30 128.360 5.578 9.405 223 2HB ARG 30 HB1 ARG 30 129.089 4.035 8.997 224 1HG ARG 30 HG2 ARG 30 129.819 4.951 6.857 225 2HG ARG 30 HG1 ARG 30 129.086 6.500 7.278 226 1HD ARG 30 HD2 ARG 30 131.235 5.134 8.874 227 2HD ARG 30 HD1 ARG 30 131.535 6.374 7.660 228 HE ARG 30 HE ARG 30 129.677 7.222 9.659 229 1HH1 ARG 30 HH11 ARG 30 133.127 6.871 8.938 230 2HH1 ARG 30 HH12 ARG 30 133.644 8.064 10.041 231 1HH2 ARG 30 HH21 ARG 30 130.331 8.886 11.112 232 2HH2 ARG 30 HH22 ARG 30 131.984 9.303 11.287 233 H PHE 31 HN PHE 31 127.437 5.617 5.702 234 HA PHE 31 HA PHE 31 126.103 8.033 6.133 235 1HB PHE 31 HB2 PHE 31 127.509 7.898 4.248 236 2HB PHE 31 HB1 PHE 31 126.801 6.384 3.714 237 HD1 PHE 31 HD1 PHE 31 125.117 6.353 2.131 238 HD2 PHE 31 HD2 PHE 31 126.121 10.004 4.058 239 HE1 PHE 31 HE1 PHE 31 123.667 7.563 0.569 240 HE2 PHE 31 HE2 PHE 31 124.675 11.220 2.494 241 HZ PHE 31 HZ PHE 31 123.447 10.001 0.753 242 H LEU 32 HN LEU 32 125.003 4.940 4.955 243 HA LEU 32 HA LEU 32 122.312 5.719 4.411 244 1HB LEU 32 HB2 LEU 32 123.897 3.786 3.543 245 2HB LEU 32 HB1 LEU 32 123.231 2.924 4.901 246 HG LEU 32 HG LEU 32 120.988 3.156 3.964 247 1HD1 LEU 32 HD11 LEU 32 120.716 4.041 1.695 248 2HD1 LEU 32 HD12 LEU 32 122.422 4.495 1.666 249 3HD1 LEU 32 HD13 LEU 32 121.319 5.285 2.793 250 1HD2 LEU 32 HD21 LEU 32 123.089 2.045 2.096 251 2HD2 LEU 32 HD22 LEU 32 121.366 1.693 2.004 252 3HD2 LEU 32 HD23 LEU 32 122.293 1.199 3.417 253 H LYS 33 HN LYS 33 124.042 4.128 6.982 254 HA LYS 33 HA LYS 33 121.945 3.231 8.601 255 1HB LYS 33 HB2 LYS 33 124.181 2.342 8.678 256 2HB LYS 33 HB1 LYS 33 124.813 3.886 9.203 257 1HG LYS 33 HG2 LYS 33 123.748 3.652 11.335 258 2HG LYS 33 HG1 LYS 33 122.913 2.190 10.797 259 1HD LYS 33 HD2 LYS 33 125.907 2.520 10.979 260 2HD LYS 33 HD1 LYS 33 124.903 1.678 12.164 261 1HE LYS 33 HE2 LYS 33 125.140 0.928 9.245 262 2HE LYS 33 HE1 LYS 33 126.011 0.144 10.560 263 1HZ LYS 33 HZ1 LYS 33 123.934 -0.971 9.770 264 2HZ LYS 33 HZ2 LYS 33 123.023 0.244 10.523 265 3HZ LYS 33 HZ3 LYS 33 124.074 -0.748 11.415 266 H THR 34 HN THR 34 123.783 6.276 8.663 267 HA THR 34 HA THR 34 122.689 7.146 11.095 268 HB THR 34 HB THR 34 124.753 8.164 10.193 269 HG1 THR 34 HG1 THR 34 124.215 9.693 11.442 270 1HG2 THR 34 HG21 THR 34 124.179 8.254 7.823 271 2HG2 THR 34 HG22 THR 34 124.654 9.851 8.403 272 3HG2 THR 34 HG23 THR 34 122.949 9.472 8.155 273 H GLU 35 HN GLU 35 121.393 7.260 7.857 274 HA GLU 35 HA GLU 35 119.173 8.852 8.877 275 1HB GLU 35 HB2 GLU 35 118.397 8.998 6.528 276 2HB GLU 35 HB1 GLU 35 119.986 9.686 6.790 277 1HG GLU 35 HG2 GLU 35 121.026 7.782 5.763 278 2HG GLU 35 HG1 GLU 35 119.464 6.969 5.617 279 H PHE 36 HN PHE 36 119.969 5.837 9.024 280 HA PHE 36 HA PHE 36 118.973 3.894 9.419 281 1HB PHE 36 HB2 PHE 36 116.480 5.586 9.653 282 2HB PHE 36 HB1 PHE 36 116.572 3.889 10.120 283 HD1 PHE 36 HD1 PHE 36 118.190 3.229 11.933 284 HD2 PHE 36 HD2 PHE 36 117.194 7.281 11.107 285 HE1 PHE 36 HE1 PHE 36 119.029 3.880 14.151 286 HE2 PHE 36 HE2 PHE 36 118.028 7.942 13.325 287 HZ PHE 36 HZ PHE 36 118.947 6.240 14.850 288 H SER 37 HN SER 37 119.167 4.884 6.653 289 HA SER 37 HA SER 37 117.059 3.360 5.325 290 1HB SER 37 HB2 SER 37 119.376 4.926 4.150 291 2HB SER 37 HB1 SER 37 117.961 4.329 3.279 292 HG SER 37 HG SER 37 118.076 6.663 4.125 293 H GLU 38 HN GLU 38 119.592 2.582 6.960 294 HA GLU 38 HA GLU 38 121.536 1.223 5.537 295 1HB GLU 38 HB2 GLU 38 121.882 -0.104 7.615 296 2HB GLU 38 HB1 GLU 38 121.834 1.634 7.864 297 1HG GLU 38 HG2 GLU 38 119.668 1.537 8.812 298 2HG GLU 38 HG1 GLU 38 119.427 -0.120 8.270 299 H GLU 39 HN GLU 39 118.334 0.224 6.296 300 HA GLU 39 HA GLU 39 118.432 -2.509 6.237 301 1HB GLU 39 HB2 GLU 39 116.028 -2.324 5.450 302 2HB GLU 39 HB1 GLU 39 116.455 -1.494 6.939 303 1HG GLU 39 HG2 GLU 39 116.717 0.599 5.597 304 2HG GLU 39 HG1 GLU 39 116.051 -0.278 4.221 305 H ASN 40 HN ASN 40 118.731 -0.408 3.513 306 HA ASN 40 HA ASN 40 118.185 -2.445 1.549 307 1HB ASN 40 HB2 ASN 40 119.522 0.267 1.296 308 2HB ASN 40 HB1 ASN 40 119.286 -0.812 -0.068 309 1HD2 ASN 40 HD21 ASN 40 117.768 1.397 2.139 310 2HD2 ASN 40 HD22 ASN 40 116.237 1.442 1.347 311 H ILE 41 HN ILE 41 121.166 -0.875 2.690 312 HA ILE 41 HA ILE 41 122.811 -2.593 1.165 313 HB ILE 41 HB ILE 41 123.419 -0.246 2.145 314 1HG1 ILE 41 HG12 ILE 41 125.466 -2.480 2.289 315 2HG1 ILE 41 HG11 ILE 41 124.932 -1.668 0.833 316 1HG2 ILE 41 HG21 ILE 41 122.990 -0.641 4.482 317 2HG2 ILE 41 HG22 ILE 41 124.711 -0.308 4.273 318 3HG2 ILE 41 HG23 ILE 41 124.152 -1.961 4.529 319 1HD1 ILE 41 HD11 ILE 41 126.471 -0.464 3.110 320 2HD1 ILE 41 HD12 ILE 41 125.719 0.452 1.821 321 3HD1 ILE 41 HD13 ILE 41 126.997 -0.713 1.426 322 H GLU 42 HN GLU 42 121.567 -2.617 4.434 323 HA GLU 42 HA GLU 42 123.017 -4.935 4.919 324 1HB GLU 42 HB2 GLU 42 121.370 -3.248 6.689 325 2HB GLU 42 HB1 GLU 42 121.716 -4.906 7.194 326 1HG GLU 42 HG2 GLU 42 124.056 -4.555 6.941 327 2HG GLU 42 HG1 GLU 42 123.873 -2.972 6.321 328 H PHE 43 HN PHE 43 120.218 -4.427 3.401 329 HA PHE 43 HA PHE 43 118.884 -6.852 3.836 330 1HB PHE 43 HB2 PHE 43 117.818 -5.170 2.495 331 2HB PHE 43 HB1 PHE 43 119.199 -5.060 1.422 332 HD1 PHE 43 HD1 PHE 43 119.507 -6.647 -0.358 333 HD2 PHE 43 HD2 PHE 43 116.248 -6.939 2.319 334 HE1 PHE 43 HE1 PHE 43 118.407 -8.223 -1.893 335 HE2 PHE 43 HE2 PHE 43 115.130 -8.470 0.822 336 HZ PHE 43 HZ PHE 43 116.212 -9.149 -1.306 337 H TRP 44 HN TRP 44 121.267 -5.910 1.333 338 HA TRP 44 HA TRP 44 121.598 -8.736 1.057 339 1HB TRP 44 HB2 TRP 44 123.180 -8.385 -0.868 340 2HB TRP 44 HB1 TRP 44 121.526 -7.865 -1.093 341 HD1 TRP 44 HD1 TRP 44 121.356 -5.689 -2.326 342 HE1 TRP 44 HE1 TRP 44 122.827 -3.646 -2.673 343 HE3 TRP 44 HE3 TRP 44 125.235 -6.998 0.725 344 HZ2 TRP 44 HZ2 TRP 44 125.307 -2.680 -1.696 345 HZ3 TRP 44 HZ3 TRP 44 127.117 -5.450 0.972 346 HH2 TRP 44 HH2 TRP 44 127.151 -3.340 -0.221 347 H ILE 45 HN ILE 45 123.292 -6.480 2.819 348 HA ILE 45 HA ILE 45 125.627 -8.028 3.139 349 HB ILE 45 HB ILE 45 124.234 -5.994 4.826 350 1HG1 ILE 45 HG12 ILE 45 126.996 -6.054 3.626 351 2HG1 ILE 45 HG11 ILE 45 125.593 -5.227 2.968 352 1HG2 ILE 45 HG21 ILE 45 126.660 -7.372 5.910 353 2HG2 ILE 45 HG22 ILE 45 124.992 -7.575 6.459 354 3HG2 ILE 45 HG23 ILE 45 125.763 -5.983 6.579 355 1HD1 ILE 45 HD11 ILE 45 125.574 -3.731 4.904 356 2HD1 ILE 45 HD12 ILE 45 127.111 -3.682 4.039 357 3HD1 ILE 45 HD13 ILE 45 126.984 -4.572 5.558 358 H ALA 46 HN ALA 46 122.401 -8.239 4.525 359 HA ALA 46 HA ALA 46 122.920 -10.368 6.280 360 1HB ALA 46 HB1 ALA 46 120.388 -9.627 4.797 361 2HB ALA 46 HB2 ALA 46 120.788 -9.219 6.475 362 3HB ALA 46 HB3 ALA 46 120.486 -10.902 5.993 363 H CYS 47 HN CYS 47 122.145 -10.112 2.894 364 HA CYS 47 HA CYS 47 121.793 -12.861 2.370 365 1HB CYS 47 HB2 CYS 47 122.581 -10.663 0.456 366 2HB CYS 47 HB1 CYS 47 121.939 -12.243 0.013 367 HG CYS 47 HG CYS 47 120.192 -9.890 1.816 368 H GLU 48 HN GLU 48 124.677 -10.791 2.364 369 HA GLU 48 HA GLU 48 126.308 -12.899 1.342 370 1HB GLU 48 HB2 GLU 48 127.265 -10.522 2.948 371 2HB GLU 48 HB1 GLU 48 128.226 -11.653 2.002 372 1HG GLU 48 HG2 GLU 48 126.880 -10.863 0.007 373 2HG GLU 48 HG1 GLU 48 126.432 -9.497 1.040 374 H ASP 49 HN ASP 49 125.371 -11.789 4.505 375 HA ASP 49 HA ASP 49 126.998 -13.497 6.051 376 1HB ASP 49 HB2 ASP 49 125.774 -11.660 7.101 377 2HB ASP 49 HB1 ASP 49 124.238 -12.361 6.616 378 H PHE 50 HN PHE 50 123.948 -13.831 4.540 379 HA PHE 50 HA PHE 50 123.181 -16.393 5.297 380 1HB PHE 50 HB2 PHE 50 121.622 -14.903 4.292 381 2HB PHE 50 HB1 PHE 50 122.650 -14.653 2.896 382 HD1 PHE 50 HD1 PHE 50 122.354 -15.910 0.986 383 HD2 PHE 50 HD2 PHE 50 120.617 -17.142 4.630 384 HE1 PHE 50 HE1 PHE 50 121.112 -17.649 -0.217 385 HE2 PHE 50 HE2 PHE 50 119.375 -18.907 3.448 386 HZ PHE 50 HZ PHE 50 119.618 -19.153 1.021 387 H LYS 51 HN LYS 51 124.921 -15.298 2.386 388 HA LYS 51 HA LYS 51 125.300 -17.902 1.371 389 1HB LYS 51 HB2 LYS 51 125.193 -15.871 -0.033 390 2HB LYS 51 HB1 LYS 51 126.714 -15.328 0.636 391 1HG LYS 51 HG2 LYS 51 126.544 -17.946 -0.814 392 2HG LYS 51 HG1 LYS 51 126.642 -16.434 -1.706 393 1HD LYS 51 HD2 LYS 51 128.755 -15.910 -0.606 394 2HD LYS 51 HD1 LYS 51 128.628 -17.383 0.360 395 1HE LYS 51 HE2 LYS 51 128.821 -18.754 -1.591 396 2HE LYS 51 HE1 LYS 51 128.721 -17.348 -2.648 397 1HZ LYS 51 HZ1 LYS 51 130.811 -16.575 -1.795 398 2HZ LYS 51 HZ2 LYS 51 130.998 -18.155 -2.375 399 3HZ LYS 51 HZ3 LYS 51 130.913 -17.875 -0.716 400 H LYS 52 HN LYS 52 127.312 -15.855 3.433 401 HA LYS 52 HA LYS 52 129.554 -17.611 3.200 402 1HB LYS 52 HB2 LYS 52 130.614 -16.351 4.993 403 2HB LYS 52 HB1 LYS 52 129.877 -15.243 3.831 404 1HG LYS 52 HG2 LYS 52 127.973 -15.000 5.424 405 2HG LYS 52 HG1 LYS 52 128.905 -15.951 6.586 406 1HD LYS 52 HD2 LYS 52 130.709 -14.302 6.490 407 2HD LYS 52 HD1 LYS 52 129.792 -13.369 5.307 408 1HE LYS 52 HE2 LYS 52 127.990 -13.110 6.986 409 2HE LYS 52 HE1 LYS 52 129.020 -13.926 8.160 410 1HZ LYS 52 HZ1 LYS 52 130.629 -12.150 7.947 411 2HZ LYS 52 HZ2 LYS 52 129.106 -11.506 8.329 412 3HZ LYS 52 HZ3 LYS 52 129.694 -11.400 6.755 413 H SER 53 HN SER 53 126.663 -17.728 4.869 414 HA SER 53 HA SER 53 127.572 -19.749 6.729 415 1HB SER 53 HB2 SER 53 124.806 -18.665 6.115 416 2HB SER 53 HB1 SER 53 125.202 -19.778 7.422 417 HG SER 53 HG SER 53 125.893 -17.068 7.107 418 H LYS 54 HN LYS 54 128.348 -20.702 4.624 419 HA LYS 54 HA LYS 54 126.499 -21.771 2.763 420 1HB LYS 54 HB2 LYS 54 128.596 -22.995 1.878 421 2HB LYS 54 HB1 LYS 54 128.513 -21.248 1.776 422 1HG LYS 54 HG2 LYS 54 130.723 -21.868 2.432 423 2HG LYS 54 HG1 LYS 54 129.934 -21.112 3.809 424 1HD LYS 54 HD2 LYS 54 129.486 -23.365 4.733 425 2HD LYS 54 HD1 LYS 54 130.363 -24.070 3.371 426 1HE LYS 54 HE2 LYS 54 132.365 -22.813 4.031 427 2HE LYS 54 HE1 LYS 54 131.486 -22.151 5.407 428 1HZ LYS 54 HZ1 LYS 54 132.807 -23.961 6.127 429 2HZ LYS 54 HZ2 LYS 54 132.198 -24.999 4.946 430 3HZ LYS 54 HZ3 LYS 54 131.195 -24.478 6.194 431 H GLY 55 HN GLY 55 126.185 -22.658 5.482 432 1HA GLY 55 HA2 GLY 55 126.413 -25.551 5.167 433 2HA GLY 55 HA1 GLY 55 126.038 -24.699 6.676 434 HA PRO 56 HA PRO 56 122.386 -25.104 3.398 435 1HB PRO 56 HB2 PRO 56 122.186 -28.004 4.056 436 2HB PRO 56 HB1 PRO 56 121.896 -27.161 2.525 437 1HG PRO 56 HG2 PRO 56 124.130 -28.538 2.867 438 2HG PRO 56 HG1 PRO 56 124.156 -26.966 2.043 439 1HD PRO 56 HD2 PRO 56 124.938 -27.645 4.853 440 2HD PRO 56 HD1 PRO 56 125.742 -26.562 3.700 441 H GLN 57 HN GLN 57 122.840 -26.642 6.501 442 HA GLN 57 HA GLN 57 120.162 -26.687 7.420 443 1HB GLN 57 HB2 GLN 57 122.710 -26.215 8.968 444 2HB GLN 57 HB1 GLN 57 121.143 -26.410 9.724 445 1HG GLN 57 HG2 GLN 57 120.991 -28.670 8.901 446 2HG GLN 57 HG1 GLN 57 122.500 -28.474 8.009 447 1HE2 GLN 57 HE21 GLN 57 122.082 -27.108 11.198 448 2HE2 GLN 57 HE22 GLN 57 123.165 -28.176 11.998 449 H GLN 58 HN GLN 58 122.658 -24.204 7.673 450 HA GLN 58 HA GLN 58 121.084 -22.280 8.985 451 1HB GLN 58 HB2 GLN 58 123.550 -21.966 7.284 452 2HB GLN 58 HB1 GLN 58 122.786 -20.641 8.145 453 1HG GLN 58 HG2 GLN 58 124.011 -23.102 9.391 454 2HG GLN 58 HG1 GLN 58 124.661 -21.451 9.305 455 1HE2 GLN 58 HE21 GLN 58 123.986 -19.931 10.675 456 2HE2 GLN 58 HE22 GLN 58 122.884 -20.191 11.984 457 H ILE 59 HN ILE 59 121.649 -23.001 5.622 458 HA ILE 59 HA ILE 59 120.694 -20.724 4.379 459 HB ILE 59 HB ILE 59 120.167 -23.536 3.393 460 1HG1 ILE 59 HG12 ILE 59 122.527 -23.299 3.857 461 2HG1 ILE 59 HG11 ILE 59 122.275 -23.285 2.117 462 1HG2 ILE 59 HG21 ILE 59 120.360 -20.937 1.881 463 2HG2 ILE 59 HG22 ILE 59 118.894 -21.839 2.208 464 3HG2 ILE 59 HG23 ILE 59 120.141 -22.531 1.154 465 1HD1 ILE 59 HD11 ILE 59 122.568 -20.870 2.106 466 2HD1 ILE 59 HD12 ILE 59 123.942 -21.722 2.836 467 3HD1 ILE 59 HD13 ILE 59 122.775 -20.904 3.868 468 H HIS 60 HN HIS 60 118.804 -23.527 5.351 469 HA HIS 60 HA HIS 60 116.260 -22.636 4.464 470 1HB HIS 60 HB2 HIS 60 116.899 -24.440 6.814 471 2HB HIS 60 HB1 HIS 60 115.278 -24.157 6.205 472 HD1 HIS 60 HD1 HIS 60 114.524 -25.562 4.260 473 HD2 HIS 60 HD2 HIS 60 118.561 -25.985 5.104 474 HE1 HIS 60 HE1 HIS 60 115.303 -27.493 2.852 475 HE2 HIS 60 HE2 HIS 60 117.806 -27.493 3.153 476 H LEU 61 HN LEU 61 117.890 -22.143 7.503 477 HA LEU 61 HA LEU 61 115.733 -20.860 8.873 478 1HB LEU 61 HB2 LEU 61 118.667 -20.578 9.415 479 2HB LEU 61 HB1 LEU 61 117.342 -20.441 10.552 480 HG LEU 61 HG LEU 61 118.181 -22.987 9.191 481 1HD1 LEU 61 HD11 LEU 61 118.701 -22.032 11.988 482 2HD1 LEU 61 HD12 LEU 61 119.841 -22.060 10.645 483 3HD1 LEU 61 HD13 LEU 61 119.197 -23.588 11.276 484 1HD2 LEU 61 HD21 LEU 61 116.747 -24.052 10.856 485 2HD2 LEU 61 HD22 LEU 61 115.840 -22.953 9.815 486 3HD2 LEU 61 HD23 LEU 61 116.264 -22.461 11.458 487 H LYS 62 HN LYS 62 118.846 -19.745 7.790 488 HA LYS 62 HA LYS 62 118.638 -17.023 8.112 489 1HB LYS 62 HB2 LYS 62 120.222 -18.649 6.134 490 2HB LYS 62 HB1 LYS 62 120.377 -16.906 6.248 491 1HG LYS 62 HG2 LYS 62 120.826 -18.725 8.607 492 2HG LYS 62 HG1 LYS 62 122.110 -18.309 7.491 493 1HD LYS 62 HD2 LYS 62 121.707 -15.917 7.943 494 2HD LYS 62 HD1 LYS 62 120.460 -16.367 9.108 495 1HE LYS 62 HE2 LYS 62 122.070 -17.439 10.509 496 2HE LYS 62 HE1 LYS 62 123.328 -17.260 9.289 497 1HZ LYS 62 HZ1 LYS 62 122.004 -14.975 10.696 498 2HZ LYS 62 HZ2 LYS 62 123.283 -14.900 9.578 499 3HZ LYS 62 HZ3 LYS 62 123.520 -15.623 11.057 500 H ALA 63 HN ALA 63 117.847 -18.851 5.114 501 HA ALA 63 HA ALA 63 117.189 -16.550 3.630 502 1HB ALA 63 HB1 ALA 63 116.266 -18.026 1.967 503 2HB ALA 63 HB2 ALA 63 116.076 -19.294 3.177 504 3HB ALA 63 HB3 ALA 63 117.688 -18.827 2.650 505 H LYS 64 HN LYS 64 115.137 -18.867 5.367 506 HA LYS 64 HA LYS 64 112.711 -17.582 4.726 507 1HB LYS 64 HB2 LYS 64 112.929 -19.902 5.671 508 2HB LYS 64 HB1 LYS 64 113.258 -19.176 7.238 509 1HG LYS 64 HG2 LYS 64 110.962 -19.851 7.172 510 2HG LYS 64 HG1 LYS 64 111.025 -18.089 7.148 511 1HD LYS 64 HD2 LYS 64 109.361 -18.845 5.560 512 2HD LYS 64 HD1 LYS 64 110.724 -18.155 4.679 513 1HE LYS 64 HE2 LYS 64 109.996 -20.184 3.575 514 2HE LYS 64 HE1 LYS 64 111.585 -20.446 4.285 515 1HZ LYS 64 HZ1 LYS 64 108.976 -21.423 5.374 516 2HZ LYS 64 HZ2 LYS 64 110.432 -21.543 6.188 517 3HZ LYS 64 HZ3 LYS 64 110.230 -22.350 4.735 518 H ALA 65 HN ALA 65 115.058 -16.955 7.243 519 HA ALA 65 HA ALA 65 113.501 -15.188 8.806 520 1HB ALA 65 HB1 ALA 65 115.565 -16.231 9.631 521 2HB ALA 65 HB2 ALA 65 115.628 -14.473 9.771 522 3HB ALA 65 HB3 ALA 65 116.500 -15.287 8.472 523 H ILE 66 HN ILE 66 116.028 -14.525 6.395 524 HA ILE 66 HA ILE 66 115.711 -11.734 6.296 525 HB ILE 66 HB ILE 66 116.793 -13.655 4.197 526 1HG1 ILE 66 HG12 ILE 66 118.244 -11.939 6.222 527 2HG1 ILE 66 HG11 ILE 66 117.940 -13.662 6.400 528 1HG2 ILE 66 HG21 ILE 66 117.101 -10.651 4.355 529 2HG2 ILE 66 HG22 ILE 66 116.230 -11.558 3.105 530 3HG2 ILE 66 HG23 ILE 66 117.980 -11.710 3.253 531 1HD1 ILE 66 HD11 ILE 66 120.225 -12.991 5.648 532 2HD1 ILE 66 HD12 ILE 66 119.514 -12.506 4.111 533 3HD1 ILE 66 HD13 ILE 66 119.432 -14.197 4.639 534 H TYR 67 HN TYR 67 114.097 -14.297 4.647 535 HA TYR 67 HA TYR 67 112.677 -12.974 2.654 536 1HB TYR 67 HB2 TYR 67 112.766 -15.394 2.887 537 2HB TYR 67 HB1 TYR 67 111.869 -15.301 4.394 538 HD1 TYR 67 HD1 TYR 67 111.556 -14.200 0.872 539 HD2 TYR 67 HD2 TYR 67 109.637 -15.798 4.296 540 HE1 TYR 67 HE1 TYR 67 109.545 -14.387 -0.405 541 HE2 TYR 67 HE2 TYR 67 107.550 -16.036 3.037 542 HH TYR 67 HH TYR 67 106.511 -15.061 1.120 543 H GLU 68 HN GLU 68 111.471 -13.770 5.928 544 HA GLU 68 HA GLU 68 109.079 -12.245 5.572 545 1HB GLU 68 HB2 GLU 68 110.254 -13.306 8.140 546 2HB GLU 68 HB1 GLU 68 108.595 -12.798 7.876 547 1HG GLU 68 HG2 GLU 68 108.315 -14.627 6.251 548 2HG GLU 68 HG1 GLU 68 109.957 -15.165 6.596 549 H LYS 69 HN LYS 69 112.199 -11.525 6.651 550 HA LYS 69 HA LYS 69 111.611 -9.239 8.292 551 1HB LYS 69 HB2 LYS 69 113.583 -10.746 8.531 552 2HB LYS 69 HB1 LYS 69 114.185 -10.140 7.004 553 1HG LYS 69 HG2 LYS 69 115.404 -8.986 8.608 554 2HG LYS 69 HG1 LYS 69 114.156 -7.837 8.127 555 1HD LYS 69 HD2 LYS 69 112.861 -8.366 10.092 556 2HD LYS 69 HD1 LYS 69 114.007 -9.636 10.534 557 1HE LYS 69 HE2 LYS 69 115.778 -7.871 10.667 558 2HE LYS 69 HE1 LYS 69 114.513 -6.666 10.439 559 1HZ LYS 69 HZ1 LYS 69 115.049 -6.988 12.782 560 2HZ LYS 69 HZ2 LYS 69 114.678 -8.621 12.658 561 3HZ LYS 69 HZ3 LYS 69 113.450 -7.475 12.475 562 H PHE 70 HN PHE 70 112.219 -9.813 4.840 563 HA PHE 70 HA PHE 70 112.516 -6.930 4.408 564 1HB PHE 70 HB2 PHE 70 114.454 -9.036 3.475 565 2HB PHE 70 HB1 PHE 70 114.373 -7.429 2.788 566 HD1 PHE 70 HD1 PHE 70 114.703 -5.472 4.483 567 HD2 PHE 70 HD2 PHE 70 115.891 -9.491 5.194 568 HE1 PHE 70 HE1 PHE 70 116.350 -4.689 6.135 569 HE2 PHE 70 HE2 PHE 70 117.530 -8.718 6.854 570 HZ PHE 70 HZ PHE 70 117.761 -6.314 7.324 571 H ILE 71 HN ILE 71 112.497 -10.080 2.782 572 HA ILE 71 HA ILE 71 111.860 -9.155 0.216 573 HB ILE 71 HB ILE 71 111.458 -11.902 1.454 574 1HG1 ILE 71 HG12 ILE 71 113.747 -11.202 1.539 575 2HG1 ILE 71 HG11 ILE 71 113.576 -12.432 0.293 576 1HG2 ILE 71 HG21 ILE 71 111.172 -12.890 -0.632 577 2HG2 ILE 71 HG22 ILE 71 111.759 -11.491 -1.506 578 3HG2 ILE 71 HG23 ILE 71 110.148 -11.452 -0.744 579 1HD1 ILE 71 HD11 ILE 71 113.569 -10.645 -1.426 580 2HD1 ILE 71 HD12 ILE 71 115.036 -10.661 -0.459 581 3HD1 ILE 71 HD13 ILE 71 113.793 -9.460 -0.149 582 H GLN 72 HN GLN 72 109.959 -9.818 2.943 583 HA GLN 72 HA GLN 72 107.507 -10.085 1.518 584 1HB GLN 72 HB2 GLN 72 108.050 -9.628 4.411 585 2HB GLN 72 HB1 GLN 72 106.411 -9.706 3.734 586 1HG GLN 72 HG2 GLN 72 108.469 -11.657 3.239 587 2HG GLN 72 HG1 GLN 72 107.409 -11.759 4.700 588 1HE2 GLN 72 HE21 GLN 72 105.147 -12.210 4.194 589 2HE2 GLN 72 HE22 GLN 72 104.664 -12.866 2.671 590 H THR 73 HN THR 73 105.861 -8.837 1.587 591 HA THR 73 HA THR 73 106.507 -6.059 1.041 592 HB THR 73 HB THR 73 103.911 -7.586 0.742 593 HG1 THR 73 HG1 THR 73 105.730 -8.296 -0.566 594 1HG2 THR 73 HG21 THR 73 103.261 -5.714 -0.730 595 2HG2 THR 73 HG22 THR 73 104.787 -4.901 -0.332 596 3HG2 THR 73 HG23 THR 73 103.583 -5.197 0.928 597 H ASP 74 HN ASP 74 104.396 -7.950 3.098 598 HA ASP 74 HA ASP 74 103.801 -5.649 4.786 599 1HB ASP 74 HB2 ASP 74 102.350 -7.175 6.057 600 2HB ASP 74 HB1 ASP 74 101.997 -7.278 4.339 601 H ALA 75 HN ALA 75 106.493 -6.655 4.494 602 HA ALA 75 HA ALA 75 107.271 -7.956 6.947 603 1HB ALA 75 HB1 ALA 75 109.571 -7.372 6.128 604 2HB ALA 75 HB2 ALA 75 108.822 -6.713 4.660 605 3HB ALA 75 HB3 ALA 75 108.619 -8.436 5.089 606 HA PRO 76 HA PRO 76 107.825 -4.332 9.436 607 1HB PRO 76 HB2 PRO 76 110.239 -4.857 10.653 608 2HB PRO 76 HB1 PRO 76 108.706 -5.579 11.151 609 1HG PRO 76 HG2 PRO 76 110.856 -6.715 9.410 610 2HG PRO 76 HG1 PRO 76 109.922 -7.504 10.696 611 1HD PRO 76 HD2 PRO 76 109.352 -7.884 8.115 612 2HD PRO 76 HD1 PRO 76 108.067 -7.796 9.336 613 H LYS 77 HN LYS 77 110.349 -5.309 7.248 614 HA LYS 77 HA LYS 77 111.357 -2.564 7.256 615 1HB LYS 77 HB2 LYS 77 112.629 -5.079 6.181 616 2HB LYS 77 HB1 LYS 77 113.256 -3.476 5.849 617 1HG LYS 77 HG2 LYS 77 112.921 -4.570 8.646 618 2HG LYS 77 HG1 LYS 77 114.396 -4.761 7.706 619 1HD LYS 77 HD2 LYS 77 114.720 -2.885 9.175 620 2HD LYS 77 HD1 LYS 77 114.516 -2.241 7.551 621 1HE LYS 77 HE2 LYS 77 112.130 -1.780 8.111 622 2HE LYS 77 HE1 LYS 77 112.457 -2.322 9.753 623 1HZ LYS 77 HZ1 LYS 77 113.813 -0.046 8.414 624 2HZ LYS 77 HZ2 LYS 77 113.948 -0.492 10.077 625 3HZ LYS 77 HZ3 LYS 77 112.494 0.074 9.464 626 H GLU 78 HN GLU 78 110.359 -5.075 4.978 627 HA GLU 78 HA GLU 78 109.358 -5.035 2.999 628 1HB GLU 78 HB2 GLU 78 107.669 -3.565 3.997 629 2HB GLU 78 HB1 GLU 78 108.676 -2.157 3.698 630 1HG GLU 78 HG2 GLU 78 108.478 -2.739 1.230 631 2HG GLU 78 HG1 GLU 78 107.200 -3.850 1.712 632 H VAL 79 HN VAL 79 110.905 -5.251 1.432 633 HA VAL 79 HA VAL 79 112.756 -3.069 0.876 634 HB VAL 79 HB VAL 79 112.617 -5.826 -0.392 635 1HG1 VAL 79 HG11 VAL 79 114.926 -5.437 -1.049 636 2HG1 VAL 79 HG12 VAL 79 114.859 -3.812 -0.367 637 3HG1 VAL 79 HG13 VAL 79 113.855 -4.227 -1.759 638 1HG2 VAL 79 HG21 VAL 79 114.393 -6.465 1.089 639 2HG2 VAL 79 HG22 VAL 79 112.982 -5.941 1.999 640 3HG2 VAL 79 HG23 VAL 79 114.381 -4.866 1.839 641 H ASN 80 HN ASN 80 112.836 -1.933 -0.983 642 HA ASN 80 HA ASN 80 110.538 -1.775 -2.752 643 1HB ASN 80 HB2 ASN 80 113.238 -0.396 -2.785 644 2HB ASN 80 HB1 ASN 80 111.950 -0.049 -3.926 645 1HD2 ASN 80 HD21 ASN 80 113.030 0.251 -0.640 646 2HD2 ASN 80 HD22 ASN 80 111.901 1.465 -0.177 647 H LEU 81 HN LEU 81 111.564 -4.202 -2.850 648 HA LEU 81 HA LEU 81 113.538 -4.658 -4.882 649 1HB LEU 81 HB2 LEU 81 113.484 -5.945 -2.962 650 2HB LEU 81 HB1 LEU 81 111.802 -6.459 -3.182 651 HG LEU 81 HG LEU 81 112.733 -7.672 -5.247 652 1HD1 LEU 81 HD11 LEU 81 114.783 -6.390 -5.409 653 2HD1 LEU 81 HD12 LEU 81 115.121 -8.113 -5.170 654 3HD1 LEU 81 HD13 LEU 81 115.286 -6.993 -3.829 655 1HD2 LEU 81 HD21 LEU 81 113.576 -9.535 -3.892 656 2HD2 LEU 81 HD22 LEU 81 112.127 -8.843 -3.189 657 3HD2 LEU 81 HD23 LEU 81 113.691 -8.494 -2.478 658 H ASP 82 HN ASP 82 113.184 -5.428 -6.875 659 HA ASP 82 HA ASP 82 110.933 -4.947 -8.385 660 1HB ASP 82 HB2 ASP 82 112.982 -5.321 -9.494 661 2HB ASP 82 HB1 ASP 82 113.190 -6.898 -8.747 662 H PHE 83 HN PHE 83 109.139 -6.019 -8.973 663 HA PHE 83 HA PHE 83 107.852 -7.793 -7.294 664 1HB PHE 83 HB2 PHE 83 107.383 -7.130 -10.174 665 2HB PHE 83 HB1 PHE 83 106.388 -8.303 -9.329 666 HD1 PHE 83 HD1 PHE 83 107.234 -4.809 -9.718 667 HD2 PHE 83 HD2 PHE 83 104.952 -7.652 -7.605 668 HE1 PHE 83 HE1 PHE 83 105.784 -2.983 -8.891 669 HE2 PHE 83 HE2 PHE 83 103.462 -5.850 -6.741 670 HZ PHE 83 HZ PHE 83 103.893 -3.510 -7.397 671 H HIS 84 HN HIS 84 109.265 -8.586 -10.463 672 HA HIS 84 HA HIS 84 108.612 -11.259 -10.220 673 1HB HIS 84 HB2 HIS 84 109.035 -10.360 -12.419 674 2HB HIS 84 HB1 HIS 84 110.688 -9.947 -11.992 675 HD1 HIS 84 HD1 HIS 84 108.525 -13.001 -12.694 676 HD2 HIS 84 HD2 HIS 84 112.542 -11.920 -12.514 677 HE1 HIS 84 HE1 HIS 84 109.810 -14.987 -13.521 678 HE2 HIS 84 HE2 HIS 84 112.216 -14.326 -13.423 679 H THR 85 HN THR 85 111.420 -9.479 -9.264 680 HA THR 85 HA THR 85 113.139 -11.612 -8.656 681 HB THR 85 HB THR 85 112.982 -8.910 -7.307 682 HG1 THR 85 HG1 THR 85 113.197 -8.924 -9.649 683 1HG2 THR 85 HG21 THR 85 115.220 -10.939 -7.537 684 2HG2 THR 85 HG22 THR 85 114.440 -10.435 -6.033 685 3HG2 THR 85 HG23 THR 85 115.426 -9.310 -6.932 686 H LYS 86 HN LYS 86 110.963 -9.734 -6.489 687 HA LYS 86 HA LYS 86 111.468 -11.415 -4.271 688 1HB LYS 86 HB2 LYS 86 109.629 -10.292 -3.110 689 2HB LYS 86 HB1 LYS 86 110.603 -9.117 -3.971 690 1HG LYS 86 HG2 LYS 86 108.904 -8.968 -5.711 691 2HG LYS 86 HG1 LYS 86 107.937 -10.185 -4.877 692 1HD LYS 86 HD2 LYS 86 107.027 -8.029 -4.337 693 2HD LYS 86 HD1 LYS 86 107.842 -8.643 -2.901 694 1HE LYS 86 HE2 LYS 86 109.792 -7.250 -3.420 695 2HE LYS 86 HE1 LYS 86 108.979 -6.651 -4.861 696 1HZ LYS 86 HZ1 LYS 86 108.260 -6.143 -2.024 697 2HZ LYS 86 HZ2 LYS 86 107.186 -5.856 -3.269 698 3HZ LYS 86 HZ3 LYS 86 108.620 -4.994 -3.215 699 H GLU 87 HN GLU 87 109.186 -11.540 -6.849 700 HA GLU 87 HA GLU 87 107.382 -13.458 -5.990 701 1HB GLU 87 HB2 GLU 87 107.170 -12.248 -8.102 702 2HB GLU 87 HB1 GLU 87 108.578 -13.085 -8.735 703 1HG GLU 87 HG2 GLU 87 106.655 -14.117 -9.659 704 2HG GLU 87 HG1 GLU 87 107.354 -15.203 -8.449 705 H VAL 88 HN VAL 88 110.421 -13.992 -7.800 706 HA VAL 88 HA VAL 88 110.230 -16.780 -7.726 707 HB VAL 88 HB VAL 88 112.769 -15.124 -7.952 708 1HG1 VAL 88 HG11 VAL 88 113.704 -17.120 -9.047 709 2HG1 VAL 88 HG12 VAL 88 112.193 -17.978 -8.712 710 3HG1 VAL 88 HG13 VAL 88 113.217 -17.451 -7.380 711 1HG2 VAL 88 HG21 VAL 88 111.136 -14.551 -9.672 712 2HG2 VAL 88 HG22 VAL 88 110.951 -16.251 -10.084 713 3HG2 VAL 88 HG23 VAL 88 112.490 -15.435 -10.378 714 H ILE 89 HN ILE 89 111.664 -14.510 -5.493 715 HA ILE 89 HA ILE 89 112.879 -16.352 -3.772 716 HB ILE 89 HB ILE 89 111.621 -13.703 -3.007 717 1HG1 ILE 89 HG12 ILE 89 114.459 -14.316 -3.850 718 2HG1 ILE 89 HG11 ILE 89 113.249 -13.528 -4.860 719 1HG2 ILE 89 HG21 ILE 89 113.785 -15.320 -1.622 720 2HG2 ILE 89 HG22 ILE 89 112.121 -15.092 -1.061 721 3HG2 ILE 89 HG23 ILE 89 113.206 -13.718 -1.144 722 1HD1 ILE 89 HD11 ILE 89 114.518 -12.501 -2.351 723 2HD1 ILE 89 HD12 ILE 89 113.106 -11.773 -3.069 724 3HD1 ILE 89 HD13 ILE 89 114.632 -11.821 -3.982 725 H THR 90 HN THR 90 109.576 -14.955 -3.757 726 HA THR 90 HA THR 90 108.706 -16.262 -1.435 727 HB THR 90 HB THR 90 106.385 -15.760 -2.102 728 HG1 THR 90 HG1 THR 90 107.498 -15.517 -4.667 729 1HG2 THR 90 HG21 THR 90 107.701 -13.895 -1.209 730 2HG2 THR 90 HG22 THR 90 106.525 -13.344 -2.412 731 3HG2 THR 90 HG23 THR 90 108.222 -13.501 -2.853 732 H ASN 91 HN ASN 91 109.177 -17.489 -4.597 733 HA ASN 91 HA ASN 91 107.530 -19.867 -4.063 734 1HB ASN 91 HB2 ASN 91 108.906 -18.944 -6.586 735 2HB ASN 91 HB1 ASN 91 108.098 -20.495 -6.432 736 1HD2 ASN 91 HD21 ASN 91 107.710 -17.080 -6.659 737 2HD2 ASN 91 HD22 ASN 91 106.036 -17.052 -6.948 738 H SER 92 HN SER 92 110.755 -18.878 -3.819 739 HA SER 92 HA SER 92 111.633 -21.669 -4.024 740 1HB SER 92 HB2 SER 92 112.466 -20.181 -5.845 741 2HB SER 92 HB1 SER 92 113.254 -19.185 -4.628 742 HG SER 92 HG SER 92 113.702 -21.924 -4.715 743 H ILE 93 HN ILE 93 110.838 -19.557 -1.795 744 HA ILE 93 HA ILE 93 113.232 -19.621 -0.190 745 HB ILE 93 HB ILE 93 111.492 -17.711 -0.256 746 1HG1 ILE 93 HG12 ILE 93 111.810 -17.223 2.183 747 2HG1 ILE 93 HG11 ILE 93 112.516 -18.832 2.347 748 1HG2 ILE 93 HG21 ILE 93 109.597 -17.837 1.223 749 2HG2 ILE 93 HG22 ILE 93 110.096 -19.449 1.742 750 3HG2 ILE 93 HG23 ILE 93 109.549 -19.211 0.092 751 1HD1 ILE 93 HD11 ILE 93 113.543 -16.591 0.622 752 2HD1 ILE 93 HD12 ILE 93 114.230 -18.213 0.692 753 3HD1 ILE 93 HD13 ILE 93 114.264 -17.181 2.119 754 H THR 94 HN THR 94 110.407 -21.453 -0.630 755 HA THR 94 HA THR 94 110.263 -22.926 1.723 756 HB THR 94 HB THR 94 108.488 -23.116 0.109 757 HG1 THR 94 HG1 THR 94 108.065 -25.112 0.490 758 1HG2 THR 94 HG21 THR 94 110.471 -24.437 -1.756 759 2HG2 THR 94 HG22 THR 94 109.773 -22.830 -1.949 760 3HG2 THR 94 HG23 THR 94 108.741 -24.258 -2.058 761 H GLN 95 HN GLN 95 112.377 -23.398 -1.074 762 HA GLN 95 HA GLN 95 114.092 -25.030 0.586 763 1HB GLN 95 HB2 GLN 95 113.306 -25.777 -2.253 764 2HB GLN 95 HB1 GLN 95 114.645 -26.501 -1.378 765 1HG GLN 95 HG2 GLN 95 113.019 -27.297 0.320 766 2HG GLN 95 HG1 GLN 95 111.719 -26.690 -0.707 767 1HE2 GLN 95 HE21 GLN 95 111.312 -27.724 -2.690 768 2HE2 GLN 95 HE22 GLN 95 111.874 -29.320 -3.002 769 HA PRO 96 HA PRO 96 116.013 -21.401 -1.386 770 1HB PRO 96 HB2 PRO 96 117.494 -20.688 0.737 771 2HB PRO 96 HB1 PRO 96 115.776 -20.285 0.592 772 1HG PRO 96 HG2 PRO 96 117.071 -22.524 2.102 773 2HG PRO 96 HG1 PRO 96 115.797 -21.410 2.636 774 1HD PRO 96 HD2 PRO 96 115.225 -23.906 1.749 775 2HD PRO 96 HD1 PRO 96 114.160 -22.520 1.460 776 H THR 97 HN THR 97 118.141 -20.849 -1.871 777 HA THR 97 HA THR 97 120.202 -22.917 -1.585 778 HB THR 97 HB THR 97 120.842 -22.159 -3.966 779 HG1 THR 97 HG1 THR 97 118.078 -21.540 -4.068 780 1HG2 THR 97 HG21 THR 97 118.316 -23.781 -3.610 781 2HG2 THR 97 HG22 THR 97 119.965 -24.395 -3.498 782 3HG2 THR 97 HG23 THR 97 119.351 -23.793 -5.038 783 H LEU 98 HN LEU 98 122.295 -21.928 -2.365 784 HA LEU 98 HA LEU 98 123.048 -20.274 -0.319 785 1HB LEU 98 HB2 LEU 98 124.348 -21.854 -1.902 786 2HB LEU 98 HB1 LEU 98 124.620 -20.396 -2.836 787 HG LEU 98 HG LEU 98 125.671 -19.350 -0.877 788 1HD1 LEU 98 HD11 LEU 98 124.402 -20.563 0.805 789 2HD1 LEU 98 HD12 LEU 98 126.138 -20.792 1.095 790 3HD1 LEU 98 HD13 LEU 98 125.164 -22.058 0.322 791 1HD2 LEU 98 HD21 LEU 98 127.030 -20.571 -2.513 792 2HD2 LEU 98 HD22 LEU 98 126.766 -22.061 -1.607 793 3HD2 LEU 98 HD23 LEU 98 127.691 -20.742 -0.883 794 H HIS 99 HN HIS 99 121.835 -19.268 -3.453 795 HA HIS 99 HA HIS 99 122.095 -16.577 -2.442 796 1HB HIS 99 HB2 HIS 99 123.628 -17.529 -4.633 797 2HB HIS 99 HB1 HIS 99 122.422 -16.413 -5.276 798 HD1 HIS 99 HD1 HIS 99 124.087 -14.448 -5.714 799 HD2 HIS 99 HD2 HIS 99 124.093 -15.846 -1.792 800 HE1 HIS 99 HE1 HIS 99 125.386 -12.765 -4.361 801 HE2 HIS 99 HE2 HIS 99 125.618 -13.779 -2.136 802 H SER 100 HN SER 100 119.826 -17.896 -2.113 803 HA SER 100 HA SER 100 117.958 -17.564 -4.158 804 1HB SER 100 HB2 SER 100 117.551 -17.664 -1.128 805 2HB SER 100 HB1 SER 100 116.238 -17.643 -2.298 806 HG SER 100 HG SER 100 117.083 -19.465 -3.236 807 H PHE 101 HN PHE 101 119.598 -15.184 -2.535 808 HA PHE 101 HA PHE 101 117.572 -13.150 -3.206 809 1HB PHE 101 HB2 PHE 101 119.852 -12.893 -1.235 810 2HB PHE 101 HB1 PHE 101 118.543 -11.751 -1.496 811 HD1 PHE 101 HD1 PHE 101 116.156 -12.528 -0.883 812 HD2 PHE 101 HD2 PHE 101 119.692 -14.550 0.370 813 HE1 PHE 101 HE1 PHE 101 114.905 -13.606 0.941 814 HE2 PHE 101 HE2 PHE 101 118.431 -15.630 2.181 815 HZ PHE 101 HZ PHE 101 116.039 -15.159 2.461 816 H ASP 102 HN ASP 102 119.700 -14.493 -4.878 817 HA ASP 102 HA ASP 102 121.934 -12.798 -5.247 818 1HB ASP 102 HB2 ASP 102 121.860 -15.107 -6.076 819 2HB ASP 102 HB1 ASP 102 120.632 -14.644 -7.247 820 H ALA 103 HN ALA 103 118.882 -13.038 -7.001 821 HA ALA 103 HA ALA 103 119.494 -10.940 -8.825 822 1HB ALA 103 HB1 ALA 103 117.124 -11.068 -9.446 823 2HB ALA 103 HB2 ALA 103 116.815 -12.101 -8.048 824 3HB ALA 103 HB3 ALA 103 117.845 -12.677 -9.357 825 H ALA 104 HN ALA 104 117.848 -11.214 -5.793 826 HA ALA 104 HA ALA 104 116.794 -8.622 -5.725 827 1HB ALA 104 HB1 ALA 104 117.370 -10.523 -3.451 828 2HB ALA 104 HB2 ALA 104 115.886 -10.364 -4.441 829 3HB ALA 104 HB3 ALA 104 116.374 -9.050 -3.383 830 H GLN 105 HN GLN 105 119.859 -9.907 -4.696 831 HA GLN 105 HA GLN 105 120.908 -7.717 -3.314 832 1HB GLN 105 HB2 GLN 105 121.995 -9.905 -3.410 833 2HB GLN 105 HB1 GLN 105 122.277 -9.711 -5.130 834 1HG GLN 105 HG2 GLN 105 123.783 -7.829 -4.650 835 2HG GLN 105 HG1 GLN 105 123.515 -8.078 -2.923 836 1HE2 GLN 105 HE21 GLN 105 125.664 -8.542 -2.524 837 2HE2 GLN 105 HE22 GLN 105 126.413 -10.008 -3.033 838 H SER 106 HN SER 106 120.930 -8.505 -6.769 839 HA SER 106 HA SER 106 122.385 -6.288 -7.668 840 1HB SER 106 HB2 SER 106 120.293 -7.907 -9.136 841 2HB SER 106 HB1 SER 106 121.613 -6.980 -9.855 842 HG SER 106 HG SER 106 123.013 -8.457 -9.319 843 H ARG 107 HN ARG 107 118.964 -6.865 -7.149 844 HA ARG 107 HA ARG 107 117.916 -4.504 -8.313 845 1HB ARG 107 HB2 ARG 107 116.801 -6.177 -6.081 846 2HB ARG 107 HB1 ARG 107 115.926 -4.932 -6.954 847 1HG ARG 107 HG2 ARG 107 116.996 -7.505 -8.080 848 2HG ARG 107 HG1 ARG 107 115.306 -7.103 -7.763 849 1HD ARG 107 HD2 ARG 107 115.484 -5.259 -9.393 850 2HD ARG 107 HD1 ARG 107 117.135 -5.770 -9.750 851 HE ARG 107 HE ARG 107 115.095 -7.788 -10.022 852 1HH1 ARG 107 HH11 ARG 107 117.260 -5.480 -11.650 853 2HH1 ARG 107 HH12 ARG 107 116.831 -5.979 -13.219 854 1HH2 ARG 107 HH21 ARG 107 114.535 -8.478 -12.261 855 2HH2 ARG 107 HH22 ARG 107 115.341 -7.737 -13.557 856 H VAL 108 HN VAL 108 118.844 -5.242 -5.008 857 HA VAL 108 HA VAL 108 118.091 -2.664 -4.092 858 HB VAL 108 HB VAL 108 119.796 -4.775 -2.741 859 1HG1 VAL 108 HG11 VAL 108 119.305 -3.567 -0.682 860 2HG1 VAL 108 HG12 VAL 108 118.472 -2.317 -1.621 861 3HG1 VAL 108 HG13 VAL 108 120.216 -2.543 -1.802 862 1HG2 VAL 108 HG21 VAL 108 116.892 -4.033 -2.467 863 2HG2 VAL 108 HG22 VAL 108 117.746 -5.247 -1.510 864 3HG2 VAL 108 HG23 VAL 108 117.532 -5.481 -3.245 865 H TYR 109 HN TYR 109 121.102 -4.039 -5.212 866 HA TYR 109 HA TYR 109 122.805 -1.939 -4.559 867 1HB TYR 109 HB2 TYR 109 123.880 -3.830 -5.387 868 2HB TYR 109 HB1 TYR 109 122.816 -3.991 -6.763 869 HD1 TYR 109 HD1 TYR 109 125.959 -2.654 -5.513 870 HD2 TYR 109 HD2 TYR 109 123.176 -2.338 -8.714 871 HE1 TYR 109 HE1 TYR 109 127.651 -1.484 -6.883 872 HE2 TYR 109 HE2 TYR 109 124.846 -1.175 -10.069 873 HH TYR 109 HH TYR 109 126.797 0.233 -9.637 874 H GLN 110 HN GLN 110 120.786 -2.334 -7.491 875 HA GLN 110 HA GLN 110 121.617 0.157 -8.542 876 1HB GLN 110 HB2 GLN 110 119.886 -0.122 -10.261 877 2HB GLN 110 HB1 GLN 110 120.797 -1.598 -10.041 878 1HG GLN 110 HG2 GLN 110 118.677 -2.425 -10.219 879 2HG GLN 110 HG1 GLN 110 118.800 -2.233 -8.478 880 1HE2 GLN 110 HE21 GLN 110 116.616 -2.021 -8.173 881 2HE2 GLN 110 HE22 GLN 110 115.728 -0.629 -8.689 882 H LEU 111 HN LEU 111 118.928 -0.771 -6.535 883 HA LEU 111 HA LEU 111 117.448 1.583 -6.416 884 1HB LEU 111 HB2 LEU 111 118.154 -0.286 -4.148 885 2HB LEU 111 HB1 LEU 111 116.974 0.993 -4.024 886 HG LEU 111 HG LEU 111 116.747 -1.398 -5.849 887 1HD1 LEU 111 HD11 LEU 111 115.358 -0.770 -3.242 888 2HD1 LEU 111 HD12 LEU 111 116.631 -1.966 -3.453 889 3HD1 LEU 111 HD13 LEU 111 115.074 -2.184 -4.260 890 1HD2 LEU 111 HD21 LEU 111 114.763 0.766 -5.127 891 2HD2 LEU 111 HD22 LEU 111 114.434 -0.644 -6.135 892 3HD2 LEU 111 HD23 LEU 111 115.572 0.587 -6.685 893 H MET 112 HN MET 112 120.244 0.661 -4.464 894 HA MET 112 HA MET 112 120.349 3.163 -3.102 895 1HB MET 112 HB2 MET 112 122.363 0.941 -3.272 896 2HB MET 112 HB1 MET 112 122.563 2.374 -2.278 897 1HG MET 112 HG2 MET 112 120.567 1.778 -1.020 898 2HG MET 112 HG1 MET 112 120.357 0.348 -2.032 899 1HE MET 112 HE1 MET 112 122.027 -1.717 -2.029 900 2HE MET 112 HE2 MET 112 123.574 -1.713 -1.172 901 3HE MET 112 HE3 MET 112 123.299 -0.588 -2.491 902 H GLU 113 HN GLU 113 121.895 1.903 -5.956 903 HA GLU 113 HA GLU 113 124.013 3.719 -6.098 904 1HB GLU 113 HB2 GLU 113 123.856 1.651 -7.451 905 2HB GLU 113 HB1 GLU 113 122.563 2.390 -8.385 906 1HG GLU 113 HG2 GLU 113 124.093 4.096 -9.194 907 2HG GLU 113 HG1 GLU 113 125.393 3.400 -8.226 908 H GLN 114 HN GLN 114 121.090 3.854 -8.117 909 HA GLN 114 HA GLN 114 121.671 6.453 -9.072 910 1HB GLN 114 HB2 GLN 114 119.405 6.408 -10.018 911 2HB GLN 114 HB1 GLN 114 120.303 4.930 -10.344 912 1HG GLN 114 HG2 GLN 114 119.123 3.829 -8.507 913 2HG GLN 114 HG1 GLN 114 118.179 5.295 -8.245 914 1HE2 GLN 114 HE21 GLN 114 118.751 2.595 -10.295 915 2HE2 GLN 114 HE22 GLN 114 117.331 2.754 -11.253 916 H ASP 115 HN ASP 115 120.117 5.440 -6.212 917 HA ASP 115 HA ASP 115 118.788 8.017 -5.848 918 1HB ASP 115 HB2 ASP 115 117.346 6.180 -5.461 919 2HB ASP 115 HB1 ASP 115 118.511 5.399 -4.402 920 H SER 116 HN SER 116 120.934 5.880 -3.921 921 HA SER 116 HA SER 116 121.248 8.075 -2.036 922 1HB SER 116 HB2 SER 116 122.054 5.188 -1.751 923 2HB SER 116 HB1 SER 116 121.968 6.403 -0.473 924 HG SER 116 HG SER 116 119.591 6.246 -1.786 925 H TYR 117 HN TYR 117 123.130 6.199 -4.364 926 HA TYR 117 HA TYR 117 125.690 6.621 -3.271 927 1HB TYR 117 HB2 TYR 117 125.400 4.893 -4.807 928 2HB TYR 117 HB1 TYR 117 124.656 5.977 -5.998 929 HD1 TYR 117 HD1 TYR 117 125.888 6.597 -7.796 930 HD2 TYR 117 HD2 TYR 117 127.937 5.389 -4.279 931 HE1 TYR 117 HE1 TYR 117 128.014 6.699 -9.012 932 HE2 TYR 117 HE2 TYR 117 130.077 5.502 -5.498 933 HH TYR 117 HH TYR 117 130.485 7.014 -8.378 934 H THR 118 HN THR 118 123.754 8.532 -5.441 935 HA THR 118 HA THR 118 125.725 10.406 -6.148 936 HB THR 118 HB THR 118 123.638 11.813 -6.640 937 HG1 THR 118 HG1 THR 118 121.776 11.002 -6.080 938 1HG2 THR 118 HG21 THR 118 123.002 10.388 -8.542 939 2HG2 THR 118 HG22 THR 118 123.809 9.015 -7.789 940 3HG2 THR 118 HG23 THR 118 124.754 10.401 -8.337 941 H ARG 119 HN ARG 119 123.305 10.290 -3.584 942 HA ARG 119 HA ARG 119 123.946 12.804 -2.420 943 1HB ARG 119 HB2 ARG 119 122.665 10.397 -1.102 944 2HB ARG 119 HB1 ARG 119 122.748 12.000 -0.401 945 1HG ARG 119 HG2 ARG 119 121.373 12.832 -2.311 946 2HG ARG 119 HG1 ARG 119 121.195 11.153 -2.840 947 1HD ARG 119 HD2 ARG 119 120.240 10.594 -0.630 948 2HD ARG 119 HD1 ARG 119 120.356 12.289 -0.176 949 HE ARG 119 HE ARG 119 118.805 11.653 -2.550 950 1HH1 ARG 119 HH11 ARG 119 118.794 12.657 0.845 951 2HH1 ARG 119 HH12 ARG 119 117.101 12.835 0.949 952 1HH2 ARG 119 HH21 ARG 119 116.482 11.976 -2.452 953 2HH2 ARG 119 HH22 ARG 119 115.766 12.495 -1.001 954 H PHE 120 HN PHE 120 125.091 9.534 -1.944 955 HA PHE 120 HA PHE 120 126.757 9.948 0.242 956 1HB PHE 120 HB2 PHE 120 126.378 7.693 -0.479 957 2HB PHE 120 HB1 PHE 120 127.003 8.033 -2.087 958 HD1 PHE 120 HD1 PHE 120 128.006 7.708 1.488 959 HD2 PHE 120 HD2 PHE 120 129.264 7.747 -2.578 960 HE1 PHE 120 HE1 PHE 120 130.270 6.936 2.162 961 HE2 PHE 120 HE2 PHE 120 131.493 6.988 -1.901 962 HZ PHE 120 HZ PHE 120 131.990 6.587 0.470 963 H LEU 121 HN LEU 121 127.410 10.306 -3.209 964 HA LEU 121 HA LEU 121 130.083 11.094 -2.978 965 1HB LEU 121 HB2 LEU 121 128.062 11.904 -5.069 966 2HB LEU 121 HB1 LEU 121 129.795 12.125 -5.211 967 HG LEU 121 HG LEU 121 128.363 9.474 -5.047 968 1HD1 LEU 121 HD11 LEU 121 128.009 10.601 -7.172 969 2HD1 LEU 121 HD12 LEU 121 129.059 9.201 -7.366 970 3HD1 LEU 121 HD13 LEU 121 129.748 10.824 -7.352 971 1HD2 LEU 121 HD21 LEU 121 130.557 8.485 -5.514 972 2HD2 LEU 121 HD22 LEU 121 130.578 9.408 -4.003 973 3HD2 LEU 121 HD23 LEU 121 131.290 10.089 -5.454 974 H LYS 122 HN LYS 122 127.150 12.885 -2.540 975 HA LYS 122 HA LYS 122 128.669 15.355 -2.174 976 1HB LYS 122 HB2 LYS 122 125.762 14.804 -2.514 977 2HB LYS 122 HB1 LYS 122 126.326 16.337 -1.863 978 1HG LYS 122 HG2 LYS 122 127.076 15.159 -4.517 979 2HG LYS 122 HG1 LYS 122 125.958 16.502 -4.236 980 1HD LYS 122 HD2 LYS 122 127.799 17.741 -3.132 981 2HD LYS 122 HD1 LYS 122 128.894 16.433 -3.572 982 1HE LYS 122 HE2 LYS 122 129.092 18.228 -5.098 983 2HE LYS 122 HE1 LYS 122 128.398 16.829 -5.923 984 1HZ LYS 122 HZ1 LYS 122 126.182 17.860 -5.703 985 2HZ LYS 122 HZ2 LYS 122 127.246 18.908 -6.515 986 3HZ LYS 122 HZ3 LYS 122 126.877 19.163 -4.885 987 H SER 123 HN SER 123 127.973 12.886 -0.130 988 HA SER 123 HA SER 123 127.031 14.480 2.042 989 1HB SER 123 HB2 SER 123 127.418 12.472 3.392 990 2HB SER 123 HB1 SER 123 126.551 12.063 1.915 991 HG SER 123 HG SER 123 128.530 11.330 1.030 992 H ASP 124 HN ASP 124 128.282 14.930 3.965 993 HA ASP 124 HA ASP 124 130.892 15.898 3.383 994 1HB ASP 124 HB2 ASP 124 129.458 16.945 5.149 995 2HB ASP 124 HB1 ASP 124 129.613 15.480 6.111 996 H ILE 125 HN ILE 125 129.536 12.992 4.534 997 HA ILE 125 HA ILE 125 131.656 11.563 5.537 998 HB ILE 125 HB ILE 125 129.290 10.851 3.845 999 1HG1 ILE 125 HG12 ILE 125 128.874 11.338 6.180 1000 2HG1 ILE 125 HG11 ILE 125 128.523 9.647 5.836 1001 1HG2 ILE 125 HG21 ILE 125 130.800 9.338 3.017 1002 2HG2 ILE 125 HG22 ILE 125 129.688 8.457 4.070 1003 3HG2 ILE 125 HG23 ILE 125 131.345 8.812 4.619 1004 1HD1 ILE 125 HD11 ILE 125 129.648 9.901 7.970 1005 2HD1 ILE 125 HD12 ILE 125 131.002 10.707 7.176 1006 3HD1 ILE 125 HD13 ILE 125 130.662 9.011 6.833 1007 H TYR 126 HN TYR 126 130.689 11.545 2.080 1008 HA TYR 126 HA TYR 126 133.170 10.352 1.326 1009 1HB TYR 126 HB2 TYR 126 131.152 9.878 0.028 1010 2HB TYR 126 HB1 TYR 126 131.048 11.565 -0.454 1011 HD1 TYR 126 HD1 TYR 126 131.910 12.149 -2.544 1012 HD2 TYR 126 HD2 TYR 126 133.444 8.701 -0.592 1013 HE1 TYR 126 HE1 TYR 126 133.307 11.672 -4.497 1014 HE2 TYR 126 HE2 TYR 126 134.827 8.198 -2.549 1015 HH TYR 126 HH TYR 126 135.119 8.699 -4.744 1016 H LEU 127 HN LEU 127 131.953 13.638 1.281 1017 HA LEU 127 HA LEU 127 134.141 14.586 -0.210 1018 1HB LEU 127 HB2 LEU 127 132.177 16.087 1.551 1019 2HB LEU 127 HB1 LEU 127 133.404 16.870 0.559 1020 HG LEU 127 HG LEU 127 131.164 15.116 -0.440 1021 1HD1 LEU 127 HD11 LEU 127 130.173 17.147 -1.289 1022 2HD1 LEU 127 HD12 LEU 127 131.466 18.110 -0.562 1023 3HD1 LEU 127 HD13 LEU 127 130.338 17.220 0.465 1024 1HD2 LEU 127 HD21 LEU 127 133.115 15.033 -1.893 1025 2HD2 LEU 127 HD22 LEU 127 133.174 16.796 -1.944 1026 3HD2 LEU 127 HD23 LEU 127 131.808 15.936 -2.658 1027 H ASP 128 HN ASP 128 133.814 13.836 3.145 1028 HA ASP 128 HA ASP 128 136.220 15.165 3.960 1029 1HB ASP 128 HB2 ASP 128 134.496 14.484 5.611 1030 2HB ASP 128 HB1 ASP 128 134.821 12.798 5.240 1031 H LEU 129 HN LEU 129 135.374 11.992 2.721 1032 HA LEU 129 HA LEU 129 137.928 10.759 2.991 1033 1HB LEU 129 HB2 LEU 129 136.090 10.130 0.641 1034 2HB LEU 129 HB1 LEU 129 137.208 9.129 1.470 1035 HG LEU 129 HG LEU 129 134.682 10.049 2.815 1036 1HD1 LEU 129 HD11 LEU 129 135.223 7.504 1.318 1037 2HD1 LEU 129 HD12 LEU 129 134.108 8.784 0.844 1038 3HD1 LEU 129 HD13 LEU 129 133.797 7.838 2.300 1039 1HD2 LEU 129 HD21 LEU 129 135.112 8.052 4.208 1040 2HD2 LEU 129 HD22 LEU 129 136.346 9.309 4.389 1041 3HD2 LEU 129 HD23 LEU 129 136.676 7.869 3.417 1042 H MET 130 HN MET 130 136.408 12.784 0.607 1043 HA MET 130 HA MET 130 138.421 12.791 -1.372 1044 1HB MET 130 HB2 MET 130 136.336 14.866 -0.708 1045 2HB MET 130 HB1 MET 130 137.419 14.994 -2.073 1046 1HG MET 130 HG2 MET 130 135.405 12.787 -1.662 1047 2HG MET 130 HG1 MET 130 135.149 14.220 -2.647 1048 1HE MET 130 HE1 MET 130 137.996 10.714 -3.652 1049 2HE MET 130 HE2 MET 130 136.745 10.684 -2.410 1050 3HE MET 130 HE3 MET 130 138.175 11.691 -2.197 1051 H GLU 131 HN GLU 131 137.730 15.020 1.251 1052 HA GLU 131 HA GLU 131 138.806 16.769 2.133 1053 1HB GLU 131 HB2 GLU 131 140.030 14.845 3.150 1054 2HB GLU 131 HB1 GLU 131 141.236 14.976 1.879 1055 1HG GLU 131 HG2 GLU 131 141.963 15.991 3.987 1056 2HG GLU 131 HG1 GLU 131 141.890 17.157 2.666 1057 H GLY 132 HN GLY 132 138.313 17.865 0.167 1058 1HA GLY 132 HA2 GLY 132 139.073 19.672 -1.120 1059 2HA GLY 132 HA1 GLY 132 140.719 19.071 -0.963 1060 H ARG 133 HN ARG 133 139.781 16.364 -1.682 1061 HA ARG 133 HA ARG 133 139.625 14.963 -3.391 1062 1HB ARG 133 HB2 ARG 133 137.476 16.051 -3.995 1063 2HB ARG 133 HB1 ARG 133 138.354 17.205 -4.993 1064 1HG ARG 133 HG2 ARG 133 139.209 15.298 -6.349 1065 2HG ARG 133 HG1 ARG 133 138.170 14.227 -5.416 1066 1HD ARG 133 HD2 ARG 133 137.286 16.519 -7.163 1067 2HD ARG 133 HD1 ARG 133 137.152 14.807 -7.547 1068 HE ARG 133 HE ARG 133 135.726 16.090 -5.311 1069 1HH1 ARG 133 HH11 ARG 133 135.763 13.769 -8.017 1070 2HH1 ARG 133 HH12 ARG 133 134.100 13.417 -7.893 1071 1HH2 ARG 133 HH21 ARG 133 133.518 15.575 -5.118 1072 2HH2 ARG 133 HH22 ARG 133 132.762 14.452 -6.145 1073 HA PRO 134 HA PRO 134 143.577 16.109 -5.226 1074 1HB PRO 134 HB2 PRO 134 144.132 13.475 -5.854 1075 2HB PRO 134 HB1 PRO 134 144.541 14.224 -4.308 1076 1HG PRO 134 HG2 PRO 134 142.219 12.487 -5.018 1077 2HG PRO 134 HG1 PRO 134 143.210 12.491 -3.548 1078 1HD PRO 134 HD2 PRO 134 140.775 13.611 -3.603 1079 2HD PRO 134 HD1 PRO 134 142.099 14.317 -2.657 Start of MODEL 10 1 1H SER 1 HT1 SER 1 138.412 2.453 10.083 2 2H SER 1 HT2 SER 1 136.743 2.154 9.782 3 3H SER 1 HT3 SER 1 137.287 3.702 10.128 4 HA SER 1 HA SER 1 138.199 2.191 7.797 5 1HB SER 1 HB2 SER 1 136.085 4.342 7.987 6 2HB SER 1 HB1 SER 1 136.688 3.613 6.497 7 HG SER 1 HG SER 1 134.779 2.782 8.127 8 H MET 2 HN MET 2 139.507 3.380 6.449 9 HA MET 2 HA MET 2 140.044 6.137 6.916 10 1HB MET 2 HB2 MET 2 142.498 5.885 7.271 11 2HB MET 2 HB1 MET 2 141.572 5.249 8.616 12 1HG MET 2 HG2 MET 2 141.944 2.974 7.783 13 2HG MET 2 HG1 MET 2 142.872 3.625 6.436 14 1HE MET 2 HE1 MET 2 144.473 6.011 7.838 15 2HE MET 2 HE2 MET 2 145.205 4.875 6.705 16 3HE MET 2 HE3 MET 2 145.978 5.190 8.258 17 H VAL 3 HN VAL 3 140.402 7.013 4.990 18 HA VAL 3 HA VAL 3 141.539 5.335 2.945 19 HB VAL 3 HB VAL 3 139.229 4.785 2.638 20 1HG1 VAL 3 HG11 VAL 3 138.225 6.579 3.879 21 2HG1 VAL 3 HG12 VAL 3 137.490 6.424 2.280 22 3HG1 VAL 3 HG13 VAL 3 138.638 7.731 2.602 23 1HG2 VAL 3 HG21 VAL 3 138.781 5.505 0.402 24 2HG2 VAL 3 HG22 VAL 3 140.533 5.299 0.557 25 3HG2 VAL 3 HG23 VAL 3 139.806 6.914 0.588 26 H SER 4 HN SER 4 142.836 6.308 1.726 27 HA SER 4 HA SER 4 143.513 9.068 1.917 28 1HB SER 4 HB2 SER 4 144.165 7.046 -0.238 29 2HB SER 4 HB1 SER 4 145.074 8.505 0.169 30 HG SER 4 HG SER 4 144.965 7.280 2.407 31 HA PRO 5 HA PRO 5 140.346 11.042 -0.386 32 1HB PRO 5 HB2 PRO 5 142.173 12.829 -1.650 33 2HB PRO 5 HB1 PRO 5 141.156 13.141 -0.242 34 1HG PRO 5 HG2 PRO 5 144.013 12.387 -0.376 35 2HG PRO 5 HG1 PRO 5 143.145 13.302 0.865 36 1HD PRO 5 HD2 PRO 5 143.968 10.781 1.267 37 2HD PRO 5 HD1 PRO 5 142.446 11.386 1.958 38 H GLU 6 HN GLU 6 143.318 10.089 -2.078 39 HA GLU 6 HA GLU 6 141.990 10.326 -4.633 40 1HB GLU 6 HB2 GLU 6 144.478 10.487 -4.447 41 2HB GLU 6 HB1 GLU 6 144.516 8.751 -4.132 42 1HG GLU 6 HG2 GLU 6 143.327 8.404 -6.287 43 2HG GLU 6 HG1 GLU 6 143.519 10.121 -6.612 44 H GLU 7 HN GLU 7 142.489 7.745 -2.359 45 HA GLU 7 HA GLU 7 141.633 5.637 -4.081 46 1HB GLU 7 HB2 GLU 7 142.926 5.346 -1.906 47 2HB GLU 7 HB1 GLU 7 141.442 5.753 -1.052 48 1HG GLU 7 HG2 GLU 7 141.714 3.393 -1.060 49 2HG GLU 7 HG1 GLU 7 140.383 3.790 -2.152 50 H ALA 8 HN ALA 8 140.209 7.886 -1.886 51 HA ALA 8 HA ALA 8 137.581 6.879 -1.968 52 1HB ALA 8 HB1 ALA 8 136.952 8.973 -0.824 53 2HB ALA 8 HB2 ALA 8 138.549 9.638 -1.194 54 3HB ALA 8 HB3 ALA 8 138.407 8.241 -0.134 55 H VAL 9 HN VAL 9 139.158 9.571 -3.822 56 HA VAL 9 HA VAL 9 136.815 10.161 -5.313 57 HB VAL 9 HB VAL 9 138.159 11.277 -7.006 58 1HG1 VAL 9 HG11 VAL 9 137.855 12.540 -5.028 59 2HG1 VAL 9 HG12 VAL 9 139.458 12.872 -5.690 60 3HG1 VAL 9 HG13 VAL 9 139.273 11.809 -4.291 61 1HG2 VAL 9 HG21 VAL 9 140.614 11.265 -7.015 62 2HG2 VAL 9 HG22 VAL 9 139.935 9.669 -7.329 63 3HG2 VAL 9 HG23 VAL 9 140.600 10.046 -5.740 64 H LYS 10 HN LYS 10 139.135 7.693 -5.542 65 HA LYS 10 HA LYS 10 138.643 6.865 -8.199 66 1HB LYS 10 HB2 LYS 10 140.565 6.356 -6.381 67 2HB LYS 10 HB1 LYS 10 139.587 4.920 -6.154 68 1HG LYS 10 HG2 LYS 10 141.342 4.421 -7.685 69 2HG LYS 10 HG1 LYS 10 139.823 4.450 -8.582 70 1HD LYS 10 HD2 LYS 10 141.548 5.593 -9.860 71 2HD LYS 10 HD1 LYS 10 140.338 6.755 -9.329 72 1HE LYS 10 HE2 LYS 10 142.532 7.728 -9.059 73 2HE LYS 10 HE1 LYS 10 141.844 7.425 -7.472 74 1HZ LYS 10 HZ1 LYS 10 144.222 6.809 -7.646 75 2HZ LYS 10 HZ2 LYS 10 143.850 5.660 -8.810 76 3HZ LYS 10 HZ3 LYS 10 143.270 5.489 -7.232 77 H TRP 11 HN TRP 11 137.007 6.416 -5.181 78 HA TRP 11 HA TRP 11 135.368 4.153 -5.847 79 1HB TRP 11 HB2 TRP 11 135.056 6.356 -3.823 80 2HB TRP 11 HB1 TRP 11 133.922 5.040 -3.937 81 HD1 TRP 11 HD1 TRP 11 136.895 3.220 -4.428 82 HE1 TRP 11 HE1 TRP 11 137.954 2.417 -2.271 83 HE3 TRP 11 HE3 TRP 11 134.397 6.265 -1.170 84 HZ2 TRP 11 HZ2 TRP 11 137.739 2.983 0.522 85 HZ3 TRP 11 HZ3 TRP 11 134.851 6.027 1.265 86 HH2 TRP 11 HH2 TRP 11 136.502 4.437 2.059 87 H GLY 12 HN GLY 12 135.346 7.492 -6.622 88 1HA GLY 12 HA2 GLY 12 132.475 7.827 -6.722 89 2HA GLY 12 HA1 GLY 12 133.688 9.035 -7.103 90 H GLU 13 HN GLU 13 133.784 5.980 -8.486 91 HA GLU 13 HA GLU 13 132.376 6.835 -10.889 92 1HB GLU 13 HB2 GLU 13 134.219 5.860 -12.304 93 2HB GLU 13 HB1 GLU 13 134.594 7.366 -11.480 94 1HG GLU 13 HG2 GLU 13 135.804 6.113 -9.762 95 2HG GLU 13 HG1 GLU 13 135.438 4.614 -10.615 96 H SER 14 HN SER 14 132.843 4.454 -8.562 97 HA SER 14 HA SER 14 131.230 2.608 -10.040 98 1HB SER 14 HB2 SER 14 133.980 1.742 -9.099 99 2HB SER 14 HB1 SER 14 132.741 0.677 -9.755 100 HG SER 14 HG SER 14 133.026 2.651 -11.445 101 H PHE 15 HN PHE 15 129.676 2.423 -8.605 102 HA PHE 15 HA PHE 15 129.918 2.695 -5.821 103 1HB PHE 15 HB2 PHE 15 127.845 3.082 -7.098 104 2HB PHE 15 HB1 PHE 15 127.740 1.364 -7.439 105 HD1 PHE 15 HD1 PHE 15 128.273 3.434 -4.387 106 HD2 PHE 15 HD2 PHE 15 126.071 0.354 -6.277 107 HE1 PHE 15 HE1 PHE 15 126.904 3.168 -2.357 108 HE2 PHE 15 HE2 PHE 15 124.711 0.091 -4.243 109 HZ PHE 15 HZ PHE 15 125.120 1.510 -2.307 110 H ASP 16 HN ASP 16 130.153 -0.085 -7.916 111 HA ASP 16 HA ASP 16 129.950 -2.132 -6.024 112 1HB ASP 16 HB2 ASP 16 129.978 -2.604 -8.424 113 2HB ASP 16 HB1 ASP 16 131.656 -2.071 -8.525 114 H LYS 17 HN LYS 17 132.728 -0.169 -6.992 115 HA LYS 17 HA LYS 17 134.520 -1.756 -5.389 116 1HB LYS 17 HB2 LYS 17 136.283 -0.364 -6.132 117 2HB LYS 17 HB1 LYS 17 135.197 -0.479 -7.506 118 1HG LYS 17 HG2 LYS 17 134.244 1.722 -6.840 119 2HG LYS 17 HG1 LYS 17 135.493 1.828 -5.603 120 1HD LYS 17 HD2 LYS 17 135.890 1.717 -8.594 121 2HD LYS 17 HD1 LYS 17 136.181 3.073 -7.497 122 1HE LYS 17 HE2 LYS 17 137.944 1.798 -6.399 123 2HE LYS 17 HE1 LYS 17 137.670 0.459 -7.513 124 1HZ LYS 17 HZ1 LYS 17 138.217 1.982 -9.354 125 2HZ LYS 17 HZ2 LYS 17 139.504 1.806 -8.282 126 3HZ LYS 17 HZ3 LYS 17 138.525 3.190 -8.228 127 H LEU 18 HN LEU 18 132.472 0.927 -4.970 128 HA LEU 18 HA LEU 18 133.610 2.084 -2.687 129 1HB LEU 18 HB2 LEU 18 131.795 3.170 -3.883 130 2HB LEU 18 HB1 LEU 18 130.710 1.848 -3.503 131 HG LEU 18 HG LEU 18 130.877 2.454 -1.097 132 1HD1 LEU 18 HD11 LEU 18 132.353 4.859 -2.131 133 2HD1 LEU 18 HD12 LEU 18 133.034 3.557 -1.160 134 3HD1 LEU 18 HD13 LEU 18 131.799 4.609 -0.474 135 1HD2 LEU 18 HD21 LEU 18 129.488 4.450 -1.253 136 2HD2 LEU 18 HD22 LEU 18 129.022 3.233 -2.441 137 3HD2 LEU 18 HD23 LEU 18 129.957 4.644 -2.941 138 H LEU 19 HN LEU 19 131.065 -0.447 -2.930 139 HA LEU 19 HA LEU 19 131.232 -0.855 -0.118 140 1HB LEU 19 HB2 LEU 19 129.805 -2.579 -2.134 141 2HB LEU 19 HB1 LEU 19 129.698 -2.760 -0.405 142 HG LEU 19 HG LEU 19 127.816 -1.683 -0.652 143 1HD1 LEU 19 HD11 LEU 19 128.945 -0.110 0.648 144 2HD1 LEU 19 HD12 LEU 19 127.836 0.730 -0.440 145 3HD1 LEU 19 HD13 LEU 19 129.567 0.718 -0.782 146 1HD2 LEU 19 HD21 LEU 19 127.907 -1.843 -3.068 147 2HD2 LEU 19 HD22 LEU 19 128.687 -0.248 -3.158 148 3HD2 LEU 19 HD23 LEU 19 127.048 -0.441 -2.490 149 H SER 20 HN SER 20 132.781 -2.215 -2.859 150 HA SER 20 HA SER 20 133.533 -4.673 -1.670 151 1HB SER 20 HB2 SER 20 133.519 -4.076 -4.172 152 2HB SER 20 HB1 SER 20 135.049 -3.256 -3.876 153 HG SER 20 HG SER 20 134.571 -5.953 -3.180 154 H HIS 21 HN HIS 21 134.536 -1.478 -1.185 155 HA HIS 21 HA HIS 21 137.075 -2.259 0.094 156 1HB HIS 21 HB2 HIS 21 136.534 -0.116 -1.583 157 2HB HIS 21 HB1 HIS 21 136.151 0.567 -0.027 158 HD1 HIS 21 HD1 HIS 21 138.202 1.229 1.541 159 HD2 HIS 21 HD2 HIS 21 139.305 -0.682 -2.000 160 HE1 HIS 21 HE1 HIS 21 140.595 1.674 1.268 161 HE2 HIS 21 HE2 HIS 21 141.298 0.385 -0.798 162 H ARG 22 HN ARG 22 136.827 -2.479 2.298 163 HA ARG 22 HA ARG 22 134.229 -2.157 3.404 164 1HB ARG 22 HB2 ARG 22 135.306 -2.523 5.727 165 2HB ARG 22 HB1 ARG 22 135.324 -3.838 4.574 166 1HG ARG 22 HG2 ARG 22 137.692 -2.052 4.703 167 2HG ARG 22 HG1 ARG 22 137.429 -3.211 6.013 168 1HD ARG 22 HD2 ARG 22 137.346 -5.024 4.457 169 2HD ARG 22 HD1 ARG 22 137.453 -3.937 3.087 170 HE ARG 22 HE ARG 22 139.684 -3.619 4.794 171 1HH1 ARG 22 HH11 ARG 22 138.255 -5.766 2.380 172 2HH1 ARG 22 HH12 ARG 22 139.725 -6.452 1.864 173 1HH2 ARG 22 HH21 ARG 22 141.779 -4.541 4.067 174 2HH2 ARG 22 HH22 ARG 22 141.770 -5.762 2.905 175 H ASP 23 HN ASP 23 136.861 -0.012 3.327 176 HA ASP 23 HA ASP 23 135.941 1.844 5.266 177 1HB ASP 23 HB2 ASP 23 137.465 2.501 2.741 178 2HB ASP 23 HB1 ASP 23 137.355 3.486 4.193 179 H GLY 24 HN GLY 24 135.065 1.237 1.924 180 1HA GLY 24 HA2 GLY 24 133.623 3.737 1.681 181 2HA GLY 24 HA1 GLY 24 133.767 2.494 0.465 182 H LEU 25 HN LEU 25 133.025 0.342 1.912 183 HA LEU 25 HA LEU 25 130.259 0.378 1.892 184 1HB LEU 25 HB2 LEU 25 131.141 -1.728 1.707 185 2HB LEU 25 HB1 LEU 25 132.394 -1.426 2.880 186 HG LEU 25 HG LEU 25 129.607 -1.723 3.918 187 1HD1 LEU 25 HD11 LEU 25 129.874 -4.166 3.875 188 2HD1 LEU 25 HD12 LEU 25 131.380 -3.996 2.973 189 3HD1 LEU 25 HD13 LEU 25 129.850 -3.528 2.232 190 1HD2 LEU 25 HD21 LEU 25 131.546 -1.228 5.393 191 2HD2 LEU 25 HD22 LEU 25 132.339 -2.670 4.779 192 3HD2 LEU 25 HD23 LEU 25 130.856 -2.825 5.727 193 H GLU 26 HN GLU 26 132.524 1.092 4.421 194 HA GLU 26 HA GLU 26 130.464 1.404 6.379 195 1HB GLU 26 HB2 GLU 26 132.792 0.467 6.677 196 2HB GLU 26 HB1 GLU 26 133.369 2.129 6.600 197 1HG GLU 26 HG2 GLU 26 131.320 1.283 8.631 198 2HG GLU 26 HG1 GLU 26 133.024 0.962 8.903 199 H ALA 27 HN ALA 27 132.395 3.495 4.213 200 HA ALA 27 HA ALA 27 131.552 5.964 5.338 201 1HB ALA 27 HB1 ALA 27 131.915 6.951 3.087 202 2HB ALA 27 HB2 ALA 27 132.213 5.359 2.400 203 3HB ALA 27 HB3 ALA 27 133.338 6.029 3.553 204 H PHE 28 HN PHE 28 130.202 3.907 2.828 205 HA PHE 28 HA PHE 28 127.973 5.549 2.299 206 1HB PHE 28 HB2 PHE 28 128.916 3.906 0.678 207 2HB PHE 28 HB1 PHE 28 128.281 2.608 1.676 208 HD1 PHE 28 HD1 PHE 28 127.264 5.579 -0.283 209 HD2 PHE 28 HD2 PHE 28 126.067 1.860 1.387 210 HE1 PHE 28 HE1 PHE 28 125.131 5.736 -1.483 211 HE2 PHE 28 HE2 PHE 28 123.926 2.009 0.187 212 HZ PHE 28 HZ PHE 28 123.458 3.961 -1.255 213 H THR 29 HN THR 29 128.494 2.838 4.533 214 HA THR 29 HA THR 29 125.753 2.589 5.060 215 HB THR 29 HB THR 29 127.407 0.767 5.696 216 HG1 THR 29 HG1 THR 29 126.059 0.072 7.226 217 1HG2 THR 29 HG21 THR 29 129.100 2.169 6.773 218 2HG2 THR 29 HG22 THR 29 128.523 0.913 7.870 219 3HG2 THR 29 HG23 THR 29 127.956 2.576 8.050 220 H ARG 30 HN ARG 30 128.211 4.724 6.446 221 HA ARG 30 HA ARG 30 126.661 5.708 8.601 222 1HB ARG 30 HB2 ARG 30 128.643 7.269 6.918 223 2HB ARG 30 HB1 ARG 30 128.049 7.739 8.503 224 1HG ARG 30 HG2 ARG 30 129.121 5.760 9.468 225 2HG ARG 30 HG1 ARG 30 129.738 5.337 7.868 226 1HD ARG 30 HD2 ARG 30 130.860 7.573 7.817 227 2HD ARG 30 HD1 ARG 30 130.387 7.776 9.504 228 HE ARG 30 HE ARG 30 131.717 5.321 9.105 229 1HH1 ARG 30 HH11 ARG 30 132.344 8.801 9.585 230 2HH1 ARG 30 HH12 ARG 30 133.992 8.558 9.981 231 1HH2 ARG 30 HH21 ARG 30 133.947 5.054 9.629 232 2HH2 ARG 30 HH22 ARG 30 134.927 6.438 10.004 233 H PHE 31 HN PHE 31 126.972 6.724 5.269 234 HA PHE 31 HA PHE 31 125.085 8.796 5.301 235 1HB PHE 31 HB2 PHE 31 126.597 8.670 3.454 236 2HB PHE 31 HB1 PHE 31 126.102 7.023 3.074 237 HD1 PHE 31 HD1 PHE 31 124.316 6.599 1.636 238 HD2 PHE 31 HD2 PHE 31 124.945 10.530 3.122 239 HE1 PHE 31 HE1 PHE 31 122.585 7.441 0.120 240 HE2 PHE 31 HE2 PHE 31 123.219 11.379 1.602 241 HZ PHE 31 HZ PHE 31 122.033 9.828 0.104 242 H LEU 32 HN LEU 32 124.744 5.362 4.588 243 HA LEU 32 HA LEU 32 122.040 5.590 3.810 244 1HB LEU 32 HB2 LEU 32 123.848 3.798 3.288 245 2HB LEU 32 HB1 LEU 32 123.296 3.057 4.777 246 HG LEU 32 HG LEU 32 121.050 2.822 3.848 247 1HD1 LEU 32 HD11 LEU 32 121.052 4.790 2.391 248 2HD1 LEU 32 HD12 LEU 32 120.640 3.335 1.483 249 3HD1 LEU 32 HD13 LEU 32 122.257 4.028 1.354 250 1HD2 LEU 32 HD21 LEU 32 122.662 1.031 3.524 251 2HD2 LEU 32 HD22 LEU 32 123.225 1.789 2.038 252 3HD2 LEU 32 HD23 LEU 32 121.580 1.158 2.139 253 H LYS 33 HN LYS 33 123.626 5.132 6.856 254 HA LYS 33 HA LYS 33 121.310 4.378 8.346 255 1HB LYS 33 HB2 LYS 33 123.982 5.494 9.212 256 2HB LYS 33 HB1 LYS 33 122.717 5.042 10.341 257 1HG LYS 33 HG2 LYS 33 122.873 2.746 9.714 258 2HG LYS 33 HG1 LYS 33 123.931 3.136 8.355 259 1HD LYS 33 HD2 LYS 33 125.635 3.942 9.943 260 2HD LYS 33 HD1 LYS 33 124.580 3.487 11.283 261 1HE LYS 33 HE2 LYS 33 124.700 1.168 10.655 262 2HE LYS 33 HE1 LYS 33 125.590 1.572 9.189 263 1HZ LYS 33 HZ1 LYS 33 126.613 1.976 11.972 264 2HZ LYS 33 HZ2 LYS 33 127.434 2.331 10.550 265 3HZ LYS 33 HZ3 LYS 33 127.063 0.739 10.897 266 H THR 34 HN THR 34 123.015 7.467 7.831 267 HA THR 34 HA THR 34 121.351 9.002 9.522 268 HB THR 34 HB THR 34 123.646 9.728 8.735 269 HG1 THR 34 HG1 THR 34 122.076 11.833 7.868 270 1HG2 THR 34 HG21 THR 34 123.800 10.900 6.528 271 2HG2 THR 34 HG22 THR 34 122.187 10.244 6.140 272 3HG2 THR 34 HG23 THR 34 123.523 9.162 6.399 273 H GLU 35 HN GLU 35 121.044 7.962 6.268 274 HA GLU 35 HA GLU 35 118.792 9.649 5.592 275 1HB GLU 35 HB2 GLU 35 120.430 9.255 3.971 276 2HB GLU 35 HB1 GLU 35 120.454 7.536 4.222 277 1HG GLU 35 HG2 GLU 35 119.371 7.911 2.149 278 2HG GLU 35 HG1 GLU 35 118.063 7.591 3.285 279 H PHE 36 HN PHE 36 119.376 6.723 7.148 280 HA PHE 36 HA PHE 36 118.269 4.963 7.845 281 1HB PHE 36 HB2 PHE 36 115.884 6.807 7.623 282 2HB PHE 36 HB1 PHE 36 115.826 5.226 8.397 283 HD1 PHE 36 HD1 PHE 36 117.042 8.660 8.657 284 HD2 PHE 36 HD2 PHE 36 116.944 4.834 10.502 285 HE1 PHE 36 HE1 PHE 36 117.859 9.654 10.749 286 HE2 PHE 36 HE2 PHE 36 117.759 5.820 12.596 287 HZ PHE 36 HZ PHE 36 118.223 8.233 12.722 288 H SER 37 HN SER 37 119.005 4.269 5.707 289 HA SER 37 HA SER 37 116.853 2.641 4.582 290 1HB SER 37 HB2 SER 37 118.828 4.198 2.878 291 2HB SER 37 HB1 SER 37 117.562 3.121 2.291 292 HG SER 37 HG SER 37 116.605 5.021 3.958 293 H GLU 38 HN GLU 38 119.129 2.312 6.443 294 HA GLU 38 HA GLU 38 121.377 1.290 5.071 295 1HB GLU 38 HB2 GLU 38 122.322 0.840 7.210 296 2HB GLU 38 HB1 GLU 38 121.459 2.358 7.319 297 1HG GLU 38 HG2 GLU 38 120.637 -0.312 8.449 298 2HG GLU 38 HG1 GLU 38 121.121 1.125 9.334 299 H GLU 39 HN GLU 39 118.396 -0.135 5.804 300 HA GLU 39 HA GLU 39 119.356 -2.765 6.219 301 1HB GLU 39 HB2 GLU 39 117.072 -3.572 5.931 302 2HB GLU 39 HB1 GLU 39 117.129 -2.208 7.023 303 1HG GLU 39 HG2 GLU 39 116.254 -2.092 4.142 304 2HG GLU 39 HG1 GLU 39 115.175 -2.213 5.526 305 H ASN 40 HN ASN 40 118.961 -0.894 3.451 306 HA ASN 40 HA ASN 40 118.754 -3.028 1.563 307 1HB ASN 40 HB2 ASN 40 119.763 -0.187 1.178 308 2HB ASN 40 HB1 ASN 40 119.500 -1.322 -0.133 309 1HD2 ASN 40 HD21 ASN 40 118.006 0.741 2.209 310 2HD2 ASN 40 HD22 ASN 40 116.411 0.680 1.587 311 H ILE 41 HN ILE 41 121.497 -1.252 2.955 312 HA ILE 41 HA ILE 41 123.386 -2.570 1.273 313 HB ILE 41 HB ILE 41 123.705 -0.304 2.633 314 1HG1 ILE 41 HG12 ILE 41 125.954 -2.316 2.192 315 2HG1 ILE 41 HG11 ILE 41 125.310 -1.155 1.069 316 1HG2 ILE 41 HG21 ILE 41 125.097 -0.587 4.692 317 2HG2 ILE 41 HG22 ILE 41 124.682 -2.311 4.699 318 3HG2 ILE 41 HG23 ILE 41 123.426 -1.104 4.879 319 1HD1 ILE 41 HD11 ILE 41 126.725 -0.421 3.610 320 2HD1 ILE 41 HD12 ILE 41 126.091 0.679 2.381 321 3HD1 ILE 41 HD13 ILE 41 127.422 -0.409 1.985 322 H GLU 42 HN GLU 42 122.094 -3.084 4.500 323 HA GLU 42 HA GLU 42 123.761 -5.288 4.788 324 1HB GLU 42 HB2 GLU 42 121.845 -4.001 6.614 325 2HB GLU 42 HB1 GLU 42 122.318 -5.668 6.954 326 1HG GLU 42 HG2 GLU 42 124.619 -5.087 6.956 327 2HG GLU 42 HG1 GLU 42 124.336 -3.485 6.451 328 H PHE 43 HN PHE 43 121.032 -4.845 3.190 329 HA PHE 43 HA PHE 43 119.693 -7.307 3.441 330 1HB PHE 43 HB2 PHE 43 118.631 -5.409 2.370 331 2HB PHE 43 HB1 PHE 43 119.912 -5.321 1.174 332 HD1 PHE 43 HD1 PHE 43 119.991 -6.861 -0.662 333 HD2 PHE 43 HD2 PHE 43 116.929 -7.026 2.251 334 HE1 PHE 43 HE1 PHE 43 118.667 -8.303 -2.153 335 HE2 PHE 43 HE2 PHE 43 115.594 -8.429 0.796 336 HZ PHE 43 HZ PHE 43 116.461 -9.092 -1.421 337 H TRP 44 HN TRP 44 121.983 -6.064 0.962 338 HA TRP 44 HA TRP 44 122.318 -8.820 0.344 339 1HB TRP 44 HB2 TRP 44 124.007 -8.192 -1.443 340 2HB TRP 44 HB1 TRP 44 122.345 -7.704 -1.667 341 HD1 TRP 44 HD1 TRP 44 122.142 -5.427 -2.646 342 HE1 TRP 44 HE1 TRP 44 123.546 -3.311 -2.709 343 HE3 TRP 44 HE3 TRP 44 125.952 -6.921 0.398 344 HZ2 TRP 44 HZ2 TRP 44 125.960 -2.367 -1.562 345 HZ3 TRP 44 HZ3 TRP 44 127.763 -5.351 0.871 346 HH2 TRP 44 HH2 TRP 44 127.767 -3.127 -0.090 347 H ILE 45 HN ILE 45 123.869 -6.896 2.451 348 HA ILE 45 HA ILE 45 126.225 -8.457 2.759 349 HB ILE 45 HB ILE 45 124.650 -6.592 4.413 350 1HG1 ILE 45 HG12 ILE 45 127.520 -6.506 3.511 351 2HG1 ILE 45 HG11 ILE 45 126.162 -5.629 2.822 352 1HG2 ILE 45 HG21 ILE 45 126.013 -6.637 6.333 353 2HG2 ILE 45 HG22 ILE 45 126.982 -7.984 5.695 354 3HG2 ILE 45 HG23 ILE 45 125.267 -8.223 6.096 355 1HD1 ILE 45 HD11 ILE 45 127.572 -4.178 4.171 356 2HD1 ILE 45 HD12 ILE 45 127.319 -5.217 5.574 357 3HD1 ILE 45 HD13 ILE 45 125.963 -4.327 4.882 358 H ALA 46 HN ALA 46 122.891 -8.796 3.727 359 HA ALA 46 HA ALA 46 123.317 -11.010 5.445 360 1HB ALA 46 HB1 ALA 46 120.820 -10.043 4.057 361 2HB ALA 46 HB2 ALA 46 121.305 -9.679 5.719 362 3HB ALA 46 HB3 ALA 46 120.867 -11.329 5.254 363 H CYS 47 HN CYS 47 122.387 -10.612 2.002 364 HA CYS 47 HA CYS 47 122.055 -13.414 1.719 365 1HB CYS 47 HB2 CYS 47 121.798 -13.063 -0.677 366 2HB CYS 47 HB1 CYS 47 120.834 -11.912 0.235 367 HG CYS 47 HG CYS 47 123.105 -11.386 -2.061 368 H GLU 48 HN GLU 48 124.855 -11.344 1.355 369 HA GLU 48 HA GLU 48 126.372 -13.394 0.087 370 1HB GLU 48 HB2 GLU 48 128.403 -12.176 0.802 371 2HB GLU 48 HB1 GLU 48 127.255 -11.164 -0.059 372 1HG GLU 48 HG2 GLU 48 126.570 -10.126 1.978 373 2HG GLU 48 HG1 GLU 48 127.484 -11.289 2.933 374 H ASP 49 HN ASP 49 125.746 -12.520 3.412 375 HA ASP 49 HA ASP 49 127.417 -14.448 4.650 376 1HB ASP 49 HB2 ASP 49 126.425 -12.612 5.916 377 2HB ASP 49 HB1 ASP 49 124.806 -13.190 5.538 378 H PHE 50 HN PHE 50 124.187 -14.453 3.433 379 HA PHE 50 HA PHE 50 123.361 -17.001 4.174 380 1HB PHE 50 HB2 PHE 50 121.824 -15.285 3.437 381 2HB PHE 50 HB1 PHE 50 122.569 -15.253 1.847 382 HD1 PHE 50 HD1 PHE 50 121.663 -16.494 0.160 383 HD2 PHE 50 HD2 PHE 50 120.835 -17.516 4.189 384 HE1 PHE 50 HE1 PHE 50 120.067 -18.186 -0.605 385 HE2 PHE 50 HE2 PHE 50 119.236 -19.210 3.436 386 HZ PHE 50 HZ PHE 50 118.848 -19.544 1.041 387 H LYS 51 HN LYS 51 124.804 -15.904 1.075 388 HA LYS 51 HA LYS 51 124.997 -18.624 0.238 389 1HB LYS 51 HB2 LYS 51 126.153 -17.796 -1.811 390 2HB LYS 51 HB1 LYS 51 124.598 -17.061 -1.525 391 1HG LYS 51 HG2 LYS 51 125.982 -15.358 -2.344 392 2HG LYS 51 HG1 LYS 51 125.875 -15.062 -0.613 393 1HD LYS 51 HD2 LYS 51 128.066 -15.994 -0.271 394 2HD LYS 51 HD1 LYS 51 128.157 -16.508 -1.960 395 1HE LYS 51 HE2 LYS 51 128.055 -14.163 -2.664 396 2HE LYS 51 HE1 LYS 51 127.974 -13.665 -0.976 397 1HZ LYS 51 HZ1 LYS 51 130.230 -15.146 -2.208 398 2HZ LYS 51 HZ2 LYS 51 130.161 -14.591 -0.623 399 3HZ LYS 51 HZ3 LYS 51 130.224 -13.478 -1.899 400 H LYS 52 HN LYS 52 126.806 -16.870 2.264 401 HA LYS 52 HA LYS 52 129.352 -18.170 1.855 402 1HB LYS 52 HB2 LYS 52 129.173 -15.920 2.853 403 2HB LYS 52 HB1 LYS 52 128.228 -16.593 4.186 404 1HG LYS 52 HG2 LYS 52 130.212 -17.889 4.862 405 2HG LYS 52 HG1 LYS 52 131.126 -17.110 3.566 406 1HD LYS 52 HD2 LYS 52 129.733 -15.660 5.811 407 2HD LYS 52 HD1 LYS 52 131.466 -16.023 5.781 408 1HE LYS 52 HE2 LYS 52 131.623 -14.675 3.691 409 2HE LYS 52 HE1 LYS 52 129.915 -14.269 3.868 410 1HZ LYS 52 HZ1 LYS 52 131.312 -12.504 4.782 411 2HZ LYS 52 HZ2 LYS 52 132.084 -13.605 5.778 412 3HZ LYS 52 HZ3 LYS 52 130.445 -13.258 6.017 413 H SER 53 HN SER 53 126.349 -18.901 3.234 414 HA SER 53 HA SER 53 127.291 -20.693 5.263 415 1HB SER 53 HB2 SER 53 124.514 -20.291 4.126 416 2HB SER 53 HB1 SER 53 124.923 -21.130 5.628 417 HG SER 53 HG SER 53 125.807 -18.507 5.246 418 H LYS 54 HN LYS 54 127.217 -22.899 5.131 419 HA LYS 54 HA LYS 54 126.820 -23.991 2.450 420 1HB LYS 54 HB2 LYS 54 128.792 -25.520 2.911 421 2HB LYS 54 HB1 LYS 54 129.165 -23.840 2.589 422 1HG LYS 54 HG2 LYS 54 130.603 -24.540 4.342 423 2HG LYS 54 HG1 LYS 54 129.382 -23.519 5.087 424 1HD LYS 54 HD2 LYS 54 129.828 -25.459 6.485 425 2HD LYS 54 HD1 LYS 54 128.190 -25.551 5.838 426 1HE LYS 54 HE2 LYS 54 129.293 -27.728 5.737 427 2HE LYS 54 HE1 LYS 54 128.959 -27.118 4.117 428 1HZ LYS 54 HZ1 LYS 54 131.572 -26.942 5.504 429 2HZ LYS 54 HZ2 LYS 54 131.298 -26.470 3.915 430 3HZ LYS 54 HZ3 LYS 54 131.202 -28.098 4.354 431 H GLY 55 HN GLY 55 125.733 -24.024 5.458 432 1HA GLY 55 HA2 GLY 55 125.243 -26.895 5.523 433 2HA GLY 55 HA1 GLY 55 124.959 -25.759 6.842 434 HA PRO 56 HA PRO 56 121.413 -25.980 3.431 435 1HB PRO 56 HB2 PRO 56 120.743 -28.734 4.345 436 2HB PRO 56 HB1 PRO 56 120.663 -28.038 2.722 437 1HG PRO 56 HG2 PRO 56 122.613 -29.724 3.380 438 2HG PRO 56 HG1 PRO 56 122.930 -28.321 2.345 439 1HD PRO 56 HD2 PRO 56 123.542 -28.714 5.243 440 2HD PRO 56 HD1 PRO 56 124.509 -27.916 3.984 441 H GLN 57 HN GLN 57 121.582 -27.422 6.680 442 HA GLN 57 HA GLN 57 118.868 -26.951 7.347 443 1HB GLN 57 HB2 GLN 57 121.276 -27.150 9.162 444 2HB GLN 57 HB1 GLN 57 119.612 -27.101 9.716 445 1HG GLN 57 HG2 GLN 57 119.191 -29.221 8.512 446 2HG GLN 57 HG1 GLN 57 120.899 -29.268 8.063 447 1HE2 GLN 57 HE21 GLN 57 121.259 -31.214 9.225 448 2HE2 GLN 57 HE22 GLN 57 121.291 -31.209 10.947 449 H GLN 58 HN GLN 58 121.757 -25.016 7.496 450 HA GLN 58 HA GLN 58 120.677 -22.844 8.982 451 1HB GLN 58 HB2 GLN 58 123.121 -23.224 8.731 452 2HB GLN 58 HB1 GLN 58 122.988 -22.865 7.018 453 1HG GLN 58 HG2 GLN 58 123.888 -20.954 8.161 454 2HG GLN 58 HG1 GLN 58 122.275 -20.516 7.617 455 1HE2 GLN 58 HE21 GLN 58 124.311 -21.197 10.328 456 2HE2 GLN 58 HE22 GLN 58 123.218 -20.655 11.543 457 H ILE 59 HN ILE 59 121.005 -23.632 5.570 458 HA ILE 59 HA ILE 59 120.369 -21.224 4.347 459 HB ILE 59 HB ILE 59 119.375 -23.884 3.328 460 1HG1 ILE 59 HG12 ILE 59 121.731 -24.166 3.835 461 2HG1 ILE 59 HG11 ILE 59 121.518 -24.073 2.096 462 1HG2 ILE 59 HG21 ILE 59 119.586 -22.860 1.119 463 2HG2 ILE 59 HG22 ILE 59 120.169 -21.372 1.875 464 3HG2 ILE 59 HG23 ILE 59 118.527 -21.907 2.176 465 1HD1 ILE 59 HD11 ILE 59 122.440 -21.820 3.850 466 2HD1 ILE 59 HD12 ILE 59 122.390 -21.845 2.065 467 3HD1 ILE 59 HD13 ILE 59 123.473 -22.926 2.950 468 H HIS 60 HN HIS 60 118.143 -23.808 5.198 469 HA HIS 60 HA HIS 60 115.761 -22.570 4.294 470 1HB HIS 60 HB2 HIS 60 116.038 -24.555 6.558 471 2HB HIS 60 HB1 HIS 60 114.514 -24.057 5.848 472 HD1 HIS 60 HD1 HIS 60 113.874 -25.106 3.610 473 HD2 HIS 60 HD2 HIS 60 117.548 -26.313 5.058 474 HE1 HIS 60 HE1 HIS 60 114.515 -27.086 2.203 475 HE2 HIS 60 HE2 HIS 60 116.820 -27.701 2.980 476 H LEU 61 HN LEU 61 117.330 -22.366 7.391 477 HA LEU 61 HA LEU 61 115.201 -20.941 8.693 478 1HB LEU 61 HB2 LEU 61 118.095 -21.072 9.438 479 2HB LEU 61 HB1 LEU 61 116.739 -20.716 10.483 480 HG LEU 61 HG LEU 61 117.236 -23.363 9.170 481 1HD1 LEU 61 HD11 LEU 61 118.027 -24.072 11.333 482 2HD1 LEU 61 HD12 LEU 61 117.747 -22.432 11.967 483 3HD1 LEU 61 HD13 LEU 61 118.936 -22.697 10.682 484 1HD2 LEU 61 HD21 LEU 61 114.901 -22.915 9.668 485 2HD2 LEU 61 HD22 LEU 61 115.315 -22.528 11.343 486 3HD2 LEU 61 HD23 LEU 61 115.548 -24.171 10.720 487 H LYS 62 HN LYS 62 118.462 -20.196 7.768 488 HA LYS 62 HA LYS 62 118.421 -17.469 8.217 489 1HB LYS 62 HB2 LYS 62 120.495 -18.728 7.900 490 2HB LYS 62 HB1 LYS 62 120.117 -18.944 6.195 491 1HG LYS 62 HG2 LYS 62 120.302 -16.583 5.808 492 2HG LYS 62 HG1 LYS 62 120.525 -16.317 7.551 493 1HD LYS 62 HD2 LYS 62 122.395 -17.898 5.810 494 2HD LYS 62 HD1 LYS 62 122.614 -16.193 6.208 495 1HE LYS 62 HE2 LYS 62 122.581 -16.826 8.616 496 2HE LYS 62 HE1 LYS 62 122.555 -18.519 8.117 497 1HZ LYS 62 HZ1 LYS 62 124.648 -16.530 7.508 498 2HZ LYS 62 HZ2 LYS 62 124.658 -18.125 6.946 499 3HZ LYS 62 HZ3 LYS 62 124.799 -17.804 8.604 500 H ALA 63 HN ALA 63 117.600 -19.162 5.166 501 HA ALA 63 HA ALA 63 117.198 -16.830 3.646 502 1HB ALA 63 HB1 ALA 63 117.289 -18.991 2.498 503 2HB ALA 63 HB2 ALA 63 115.716 -18.234 2.198 504 3HB ALA 63 HB3 ALA 63 115.861 -19.517 3.386 505 H LYS 64 HN LYS 64 114.927 -18.809 5.499 506 HA LYS 64 HA LYS 64 112.722 -17.177 4.869 507 1HB LYS 64 HB2 LYS 64 112.676 -19.560 5.732 508 2HB LYS 64 HB1 LYS 64 112.944 -18.891 7.333 509 1HG LYS 64 HG2 LYS 64 110.861 -17.759 7.303 510 2HG LYS 64 HG1 LYS 64 110.626 -18.112 5.587 511 1HD LYS 64 HD2 LYS 64 110.675 -20.534 6.172 512 2HD LYS 64 HD1 LYS 64 110.650 -20.070 7.876 513 1HE LYS 64 HE2 LYS 64 108.608 -19.285 5.833 514 2HE LYS 64 HE1 LYS 64 108.417 -20.653 6.927 515 1HZ LYS 64 HZ1 LYS 64 108.646 -17.778 7.755 516 2HZ LYS 64 HZ2 LYS 64 108.524 -19.061 8.807 517 3HZ LYS 64 HZ3 LYS 64 107.251 -18.705 7.776 518 H ALA 65 HN ALA 65 115.095 -16.998 7.400 519 HA ALA 65 HA ALA 65 113.897 -15.031 9.003 520 1HB ALA 65 HB1 ALA 65 115.869 -16.314 9.702 521 2HB ALA 65 HB2 ALA 65 116.151 -14.577 9.824 522 3HB ALA 65 HB3 ALA 65 116.833 -15.490 8.476 523 H ILE 66 HN ILE 66 116.263 -14.731 6.391 524 HA ILE 66 HA ILE 66 116.303 -11.906 6.285 525 HB ILE 66 HB ILE 66 117.009 -13.997 4.206 526 1HG1 ILE 66 HG12 ILE 66 118.757 -12.372 6.069 527 2HG1 ILE 66 HG11 ILE 66 118.333 -14.065 6.273 528 1HG2 ILE 66 HG21 ILE 66 116.537 -11.922 3.058 529 2HG2 ILE 66 HG22 ILE 66 118.251 -12.305 3.012 530 3HG2 ILE 66 HG23 ILE 66 117.654 -11.047 4.122 531 1HD1 ILE 66 HD11 ILE 66 119.543 -14.576 4.169 532 2HD1 ILE 66 HD12 ILE 66 120.562 -13.865 5.417 533 3HD1 ILE 66 HD13 ILE 66 120.013 -12.870 4.076 534 H TYR 67 HN TYR 67 114.436 -14.336 4.650 535 HA TYR 67 HA TYR 67 113.051 -12.863 2.757 536 1HB TYR 67 HB2 TYR 67 113.002 -15.273 2.819 537 2HB TYR 67 HB1 TYR 67 112.221 -15.254 4.393 538 HD1 TYR 67 HD1 TYR 67 111.736 -14.072 0.939 539 HD2 TYR 67 HD2 TYR 67 109.942 -15.473 4.495 540 HE1 TYR 67 HE1 TYR 67 109.587 -14.022 -0.171 541 HE2 TYR 67 HE2 TYR 67 107.745 -15.482 3.413 542 HH TYR 67 HH TYR 67 106.750 -14.119 1.498 543 H GLU 68 HN GLU 68 111.889 -13.725 6.038 544 HA GLU 68 HA GLU 68 109.645 -12.025 5.666 545 1HB GLU 68 HB2 GLU 68 110.555 -13.557 8.073 546 2HB GLU 68 HB1 GLU 68 109.068 -12.616 8.002 547 1HG GLU 68 HG2 GLU 68 108.381 -13.972 6.034 548 2HG GLU 68 HG1 GLU 68 109.792 -14.989 6.299 549 H LYS 69 HN LYS 69 112.716 -11.428 6.764 550 HA LYS 69 HA LYS 69 111.974 -9.138 8.373 551 1HB LYS 69 HB2 LYS 69 113.849 -10.513 9.071 552 2HB LYS 69 HB1 LYS 69 114.648 -10.257 7.534 553 1HG LYS 69 HG2 LYS 69 115.003 -7.945 8.056 554 2HG LYS 69 HG1 LYS 69 114.108 -8.104 9.580 555 1HD LYS 69 HD2 LYS 69 115.778 -9.756 10.338 556 2HD LYS 69 HD1 LYS 69 116.657 -9.540 8.823 557 1HE LYS 69 HE2 LYS 69 117.057 -7.202 9.375 558 2HE LYS 69 HE1 LYS 69 116.127 -7.380 10.861 559 1HZ LYS 69 HZ1 LYS 69 117.747 -9.033 11.592 560 2HZ LYS 69 HZ2 LYS 69 118.455 -7.525 11.360 561 3HZ LYS 69 HZ3 LYS 69 118.699 -8.765 10.233 562 H PHE 70 HN PHE 70 112.705 -9.779 5.034 563 HA PHE 70 HA PHE 70 113.170 -6.931 4.564 564 1HB PHE 70 HB2 PHE 70 114.948 -9.168 3.597 565 2HB PHE 70 HB1 PHE 70 114.977 -7.546 2.938 566 HD1 PHE 70 HD1 PHE 70 115.306 -5.668 4.829 567 HD2 PHE 70 HD2 PHE 70 116.524 -9.733 5.121 568 HE1 PHE 70 HE1 PHE 70 117.022 -5.034 6.473 569 HE2 PHE 70 HE2 PHE 70 118.235 -9.108 6.772 570 HZ PHE 70 HZ PHE 70 118.485 -6.753 7.450 571 H ILE 71 HN ILE 71 112.997 -10.060 2.937 572 HA ILE 71 HA ILE 71 112.290 -9.071 0.412 573 HB ILE 71 HB ILE 71 111.914 -11.857 1.561 574 1HG1 ILE 71 HG12 ILE 71 114.223 -11.063 1.647 575 2HG1 ILE 71 HG11 ILE 71 114.034 -12.395 0.512 576 1HG2 ILE 71 HG21 ILE 71 111.602 -10.863 -1.244 577 2HG2 ILE 71 HG22 ILE 71 110.668 -12.133 -0.364 578 3HG2 ILE 71 HG23 ILE 71 112.294 -12.438 -0.944 579 1HD1 ILE 71 HD11 ILE 71 115.505 -10.667 -0.353 580 2HD1 ILE 71 HD12 ILE 71 114.206 -9.478 -0.229 581 3HD1 ILE 71 HD13 ILE 71 114.060 -10.827 -1.341 582 H GLN 72 HN GLN 72 110.434 -9.830 3.165 583 HA GLN 72 HA GLN 72 107.901 -10.167 1.883 584 1HB GLN 72 HB2 GLN 72 108.656 -9.526 4.697 585 2HB GLN 72 HB1 GLN 72 106.970 -9.641 4.159 586 1HG GLN 72 HG2 GLN 72 108.789 -11.698 3.389 587 2HG GLN 72 HG1 GLN 72 108.319 -11.629 5.139 588 1HE2 GLN 72 HE21 GLN 72 106.155 -12.135 5.572 589 2HE2 GLN 72 HE22 GLN 72 105.080 -12.857 4.447 590 H THR 73 HN THR 73 106.326 -8.883 1.578 591 HA THR 73 HA THR 73 106.819 -6.108 1.127 592 HB THR 73 HB THR 73 104.135 -7.521 1.319 593 HG1 THR 73 HG1 THR 73 104.383 -8.076 -0.734 594 1HG2 THR 73 HG21 THR 73 103.966 -5.105 1.438 595 2HG2 THR 73 HG22 THR 73 103.359 -5.664 -0.129 596 3HG2 THR 73 HG23 THR 73 104.970 -4.936 0.000 597 H ASP 74 HN ASP 74 104.874 -7.907 3.475 598 HA ASP 74 HA ASP 74 104.989 -5.589 5.229 599 1HB ASP 74 HB2 ASP 74 102.748 -6.622 4.930 600 2HB ASP 74 HB1 ASP 74 103.381 -8.142 5.546 601 H ALA 75 HN ALA 75 107.088 -5.750 5.689 602 HA ALA 75 HA ALA 75 107.915 -8.007 7.387 603 1HB ALA 75 HB1 ALA 75 109.183 -8.231 5.411 604 2HB ALA 75 HB2 ALA 75 110.242 -7.370 6.572 605 3HB ALA 75 HB3 ALA 75 109.444 -6.482 5.284 606 HA PRO 76 HA PRO 76 108.810 -4.958 10.465 607 1HB PRO 76 HB2 PRO 76 111.251 -5.780 11.422 608 2HB PRO 76 HB1 PRO 76 109.708 -6.516 11.872 609 1HG PRO 76 HG2 PRO 76 111.713 -7.405 9.839 610 2HG PRO 76 HG1 PRO 76 110.801 -8.375 11.014 611 1HD PRO 76 HD2 PRO 76 110.093 -8.250 8.444 612 2HD PRO 76 HD1 PRO 76 108.871 -8.335 9.725 613 H LYS 77 HN LYS 77 111.160 -5.496 7.906 614 HA LYS 77 HA LYS 77 111.942 -2.725 8.378 615 1HB LYS 77 HB2 LYS 77 113.865 -4.856 7.448 616 2HB LYS 77 HB1 LYS 77 114.224 -3.132 7.470 617 1HG LYS 77 HG2 LYS 77 113.577 -3.279 9.977 618 2HG LYS 77 HG1 LYS 77 113.844 -5.008 9.769 619 1HD LYS 77 HD2 LYS 77 115.870 -3.990 10.589 620 2HD LYS 77 HD1 LYS 77 116.126 -4.491 8.913 621 1HE LYS 77 HE2 LYS 77 115.782 -2.218 8.140 622 2HE LYS 77 HE1 LYS 77 115.370 -1.691 9.770 623 1HZ LYS 77 HZ1 LYS 77 117.656 -1.111 9.154 624 2HZ LYS 77 HZ2 LYS 77 118.033 -2.753 8.959 625 3HZ LYS 77 HZ3 LYS 77 117.591 -2.158 10.471 626 H GLU 78 HN GLU 78 111.388 -5.125 5.879 627 HA GLU 78 HA GLU 78 110.513 -4.937 3.798 628 1HB GLU 78 HB2 GLU 78 110.334 -1.967 4.355 629 2HB GLU 78 HB1 GLU 78 109.650 -2.770 2.956 630 1HG GLU 78 HG2 GLU 78 108.054 -3.903 4.298 631 2HG GLU 78 HG1 GLU 78 108.861 -3.396 5.787 632 H VAL 79 HN VAL 79 111.158 -4.283 1.567 633 HA VAL 79 HA VAL 79 113.704 -2.840 1.424 634 HB VAL 79 HB VAL 79 113.247 -5.451 -0.078 635 1HG1 VAL 79 HG11 VAL 79 115.717 -3.764 0.235 636 2HG1 VAL 79 HG12 VAL 79 114.726 -3.914 -1.219 637 3HG1 VAL 79 HG13 VAL 79 115.617 -5.312 -0.604 638 1HG2 VAL 79 HG21 VAL 79 115.029 -4.999 2.296 639 2HG2 VAL 79 HG22 VAL 79 114.888 -6.487 1.336 640 3HG2 VAL 79 HG23 VAL 79 113.521 -5.917 2.277 641 H ASN 80 HN ASN 80 113.998 -1.810 -0.543 642 HA ASN 80 HA ASN 80 111.587 -1.222 -2.081 643 1HB ASN 80 HB2 ASN 80 114.400 -0.136 -2.469 644 2HB ASN 80 HB1 ASN 80 112.901 0.577 -3.046 645 1HD2 ASN 80 HD21 ASN 80 115.064 0.196 -0.363 646 2HD2 ASN 80 HD22 ASN 80 114.260 1.280 0.705 647 H LEU 81 HN LEU 81 112.804 -3.753 -2.203 648 HA LEU 81 HA LEU 81 114.507 -4.312 -4.401 649 1HB LEU 81 HB2 LEU 81 114.390 -5.669 -2.496 650 2HB LEU 81 HB1 LEU 81 112.676 -6.026 -2.712 651 HG LEU 81 HG LEU 81 113.515 -7.244 -4.875 652 1HD1 LEU 81 HD11 LEU 81 115.763 -7.987 -4.715 653 2HD1 LEU 81 HD12 LEU 81 116.041 -6.875 -3.375 654 3HD1 LEU 81 HD13 LEU 81 115.640 -6.245 -4.988 655 1HD2 LEU 81 HD21 LEU 81 114.315 -8.289 -2.140 656 2HD2 LEU 81 HD22 LEU 81 114.093 -9.237 -3.600 657 3HD2 LEU 81 HD23 LEU 81 112.718 -8.425 -2.870 658 H ASP 82 HN ASP 82 114.035 -5.091 -6.419 659 HA ASP 82 HA ASP 82 111.780 -4.507 -7.859 660 1HB ASP 82 HB2 ASP 82 113.774 -5.183 -8.990 661 2HB ASP 82 HB1 ASP 82 113.780 -6.742 -8.184 662 H PHE 83 HN PHE 83 109.845 -5.311 -8.088 663 HA PHE 83 HA PHE 83 108.669 -6.905 -6.135 664 1HB PHE 83 HB2 PHE 83 107.658 -6.149 -8.855 665 2HB PHE 83 HB1 PHE 83 106.691 -6.982 -7.642 666 HD1 PHE 83 HD1 PHE 83 107.890 -3.899 -8.831 667 HD2 PHE 83 HD2 PHE 83 106.377 -5.911 -5.490 668 HE1 PHE 83 HE1 PHE 83 107.300 -1.695 -7.829 669 HE2 PHE 83 HE2 PHE 83 105.753 -3.738 -4.422 670 HZ PHE 83 HZ PHE 83 106.226 -1.630 -5.610 671 H HIS 84 HN HIS 84 109.614 -7.741 -9.424 672 HA HIS 84 HA HIS 84 108.384 -10.195 -9.200 673 1HB HIS 84 HB2 HIS 84 108.627 -9.394 -11.428 674 2HB HIS 84 HB1 HIS 84 110.365 -9.192 -11.251 675 HD1 HIS 84 HD1 HIS 84 107.861 -12.140 -11.279 676 HD2 HIS 84 HD2 HIS 84 111.782 -11.216 -12.365 677 HE1 HIS 84 HE1 HIS 84 108.743 -14.159 -12.413 678 HE2 HIS 84 HE2 HIS 84 111.196 -13.710 -12.625 679 H THR 85 HN THR 85 111.576 -9.058 -8.573 680 HA THR 85 HA THR 85 112.880 -11.505 -8.235 681 HB THR 85 HB THR 85 113.388 -8.867 -6.847 682 HG1 THR 85 HG1 THR 85 113.469 -8.739 -9.121 683 1HG2 THR 85 HG21 THR 85 115.687 -9.733 -6.597 684 2HG2 THR 85 HG22 THR 85 115.174 -11.284 -7.251 685 3HG2 THR 85 HG23 THR 85 114.528 -10.701 -5.712 686 H LYS 86 HN LYS 86 111.190 -9.398 -5.894 687 HA LYS 86 HA LYS 86 111.463 -11.044 -3.622 688 1HB LYS 86 HB2 LYS 86 108.880 -9.545 -4.159 689 2HB LYS 86 HB1 LYS 86 109.638 -9.992 -2.641 690 1HG LYS 86 HG2 LYS 86 111.383 -8.343 -3.024 691 2HG LYS 86 HG1 LYS 86 110.537 -7.827 -4.491 692 1HD LYS 86 HD2 LYS 86 108.515 -7.401 -3.130 693 2HD LYS 86 HD1 LYS 86 109.434 -7.816 -1.685 694 1HE LYS 86 HE2 LYS 86 110.975 -5.962 -2.176 695 2HE LYS 86 HE1 LYS 86 109.985 -5.537 -3.573 696 1HZ LYS 86 HZ1 LYS 86 108.094 -5.326 -1.932 697 2HZ LYS 86 HZ2 LYS 86 109.274 -4.145 -1.890 698 3HZ LYS 86 HZ3 LYS 86 109.268 -5.337 -0.700 699 H GLU 87 HN GLU 87 109.048 -10.918 -6.143 700 HA GLU 87 HA GLU 87 107.195 -12.781 -5.372 701 1HB GLU 87 HB2 GLU 87 106.893 -11.286 -7.215 702 2HB GLU 87 HB1 GLU 87 108.225 -12.013 -8.086 703 1HG GLU 87 HG2 GLU 87 106.959 -14.006 -8.435 704 2HG GLU 87 HG1 GLU 87 105.628 -13.380 -7.444 705 H VAL 88 HN VAL 88 110.128 -13.404 -7.295 706 HA VAL 88 HA VAL 88 109.646 -16.170 -7.540 707 HB VAL 88 HB VAL 88 112.305 -14.710 -7.666 708 1HG1 VAL 88 HG11 VAL 88 112.609 -17.115 -7.323 709 2HG1 VAL 88 HG12 VAL 88 113.073 -16.657 -8.965 710 3HG1 VAL 88 HG13 VAL 88 111.521 -17.447 -8.669 711 1HG2 VAL 88 HG21 VAL 88 110.376 -15.524 -9.825 712 2HG2 VAL 88 HG22 VAL 88 111.950 -14.763 -10.082 713 3HG2 VAL 88 HG23 VAL 88 110.661 -13.886 -9.252 714 H ILE 89 HN ILE 89 111.336 -14.269 -5.143 715 HA ILE 89 HA ILE 89 112.381 -16.458 -3.672 716 HB ILE 89 HB ILE 89 111.700 -13.691 -2.639 717 1HG1 ILE 89 HG12 ILE 89 114.320 -14.690 -3.783 718 2HG1 ILE 89 HG11 ILE 89 113.183 -13.656 -4.641 719 1HG2 ILE 89 HG21 ILE 89 113.408 -14.137 -0.954 720 2HG2 ILE 89 HG22 ILE 89 113.660 -15.756 -1.617 721 3HG2 ILE 89 HG23 ILE 89 112.117 -15.335 -0.870 722 1HD1 ILE 89 HD11 ILE 89 114.884 -12.230 -3.789 723 2HD1 ILE 89 HD12 ILE 89 114.820 -13.027 -2.222 724 3HD1 ILE 89 HD13 ILE 89 113.473 -12.022 -2.724 725 H THR 90 HN THR 90 109.400 -14.537 -3.416 726 HA THR 90 HA THR 90 108.417 -15.733 -1.083 727 HB THR 90 HB THR 90 106.164 -14.904 -1.734 728 HG1 THR 90 HG1 THR 90 107.276 -14.894 -4.251 729 1HG2 THR 90 HG21 THR 90 108.346 -12.913 -2.327 730 2HG2 THR 90 HG22 THR 90 107.721 -13.313 -0.723 731 3HG2 THR 90 HG23 THR 90 106.678 -12.522 -1.910 732 H ASN 91 HN ASN 91 108.478 -16.905 -4.328 733 HA ASN 91 HA ASN 91 106.575 -19.047 -3.721 734 1HB ASN 91 HB2 ASN 91 107.991 -18.296 -6.283 735 2HB ASN 91 HB1 ASN 91 106.867 -19.638 -6.121 736 1HD2 ASN 91 HD21 ASN 91 106.840 -17.162 -7.710 737 2HD2 ASN 91 HD22 ASN 91 105.336 -16.382 -7.357 738 H SER 92 HN SER 92 109.930 -18.484 -3.683 739 HA SER 92 HA SER 92 110.438 -21.372 -3.889 740 1HB SER 92 HB2 SER 92 112.339 -19.121 -4.534 741 2HB SER 92 HB1 SER 92 112.636 -20.846 -4.749 742 HG SER 92 HG SER 92 110.873 -19.146 -6.122 743 H ILE 93 HN ILE 93 109.969 -19.309 -1.543 744 HA ILE 93 HA ILE 93 112.413 -19.616 -0.033 745 HB ILE 93 HB ILE 93 110.882 -17.607 0.181 746 1HG1 ILE 93 HG12 ILE 93 111.048 -17.417 2.642 747 2HG1 ILE 93 HG11 ILE 93 111.444 -19.123 2.758 748 1HG2 ILE 93 HG21 ILE 93 108.836 -17.753 1.468 749 2HG2 ILE 93 HG22 ILE 93 109.152 -19.464 1.769 750 3HG2 ILE 93 HG23 ILE 93 108.793 -18.940 0.139 751 1HD1 ILE 93 HD11 ILE 93 113.066 -16.938 1.429 752 2HD1 ILE 93 HD12 ILE 93 113.495 -18.653 1.366 753 3HD1 ILE 93 HD13 ILE 93 113.480 -17.814 2.898 754 H THR 94 HN THR 94 109.549 -21.301 -0.548 755 HA THR 94 HA THR 94 109.295 -22.989 1.601 756 HB THR 94 HB THR 94 107.692 -23.033 -0.210 757 HG1 THR 94 HG1 THR 94 107.251 -24.991 0.096 758 1HG2 THR 94 HG21 THR 94 108.182 -24.040 -2.409 759 2HG2 THR 94 HG22 THR 94 109.873 -24.224 -1.936 760 3HG2 THR 94 HG23 THR 94 109.176 -22.613 -2.105 761 H GLN 95 HN GLN 95 111.616 -23.169 -1.059 762 HA GLN 95 HA GLN 95 113.258 -25.036 0.448 763 1HB GLN 95 HB2 GLN 95 112.539 -25.429 -2.474 764 2HB GLN 95 HB1 GLN 95 113.740 -26.351 -1.590 765 1HG GLN 95 HG2 GLN 95 110.802 -26.313 -0.960 766 2HG GLN 95 HG1 GLN 95 111.599 -27.527 -1.951 767 1HE2 GLN 95 HE21 GLN 95 111.048 -29.148 -0.627 768 2HE2 GLN 95 HE22 GLN 95 111.720 -29.404 0.956 769 HA PRO 96 HA PRO 96 115.627 -21.503 -1.361 770 1HB PRO 96 HB2 PRO 96 117.135 -21.074 0.810 771 2HB PRO 96 HB1 PRO 96 115.500 -20.415 0.675 772 1HG PRO 96 HG2 PRO 96 116.440 -22.852 2.132 773 2HG PRO 96 HG1 PRO 96 115.314 -21.591 2.671 774 1HD PRO 96 HD2 PRO 96 114.446 -23.978 1.702 775 2HD PRO 96 HD1 PRO 96 113.559 -22.463 1.468 776 H THR 97 HN THR 97 117.760 -21.237 -1.775 777 HA THR 97 HA THR 97 119.396 -23.629 -1.608 778 HB THR 97 HB THR 97 119.311 -21.926 -4.110 779 HG1 THR 97 HG1 THR 97 117.361 -22.609 -4.459 780 1HG2 THR 97 HG21 THR 97 119.829 -24.820 -3.564 781 2HG2 THR 97 HG22 THR 97 121.076 -23.579 -3.781 782 3HG2 THR 97 HG23 THR 97 120.011 -24.026 -5.134 783 H LEU 98 HN LEU 98 121.693 -22.504 -2.749 784 HA LEU 98 HA LEU 98 122.522 -20.860 -0.602 785 1HB LEU 98 HB2 LEU 98 123.970 -21.493 -3.176 786 2HB LEU 98 HB1 LEU 98 124.683 -20.687 -1.805 787 HG LEU 98 HG LEU 98 125.460 -22.899 -1.778 788 1HD1 LEU 98 HD11 LEU 98 124.609 -23.820 0.315 789 2HD1 LEU 98 HD12 LEU 98 123.296 -22.639 0.283 790 3HD1 LEU 98 HD13 LEU 98 124.970 -22.100 0.389 791 1HD2 LEU 98 HD21 LEU 98 123.842 -23.939 -3.260 792 2HD2 LEU 98 HD22 LEU 98 122.606 -23.846 -2.004 793 3HD2 LEU 98 HD23 LEU 98 124.017 -24.882 -1.777 794 H HIS 99 HN HIS 99 121.320 -20.086 -3.762 795 HA HIS 99 HA HIS 99 122.015 -17.301 -3.180 796 1HB HIS 99 HB2 HIS 99 122.185 -18.751 -5.811 797 2HB HIS 99 HB1 HIS 99 122.011 -17.002 -5.752 798 HD1 HIS 99 HD1 HIS 99 124.200 -15.745 -5.730 799 HD2 HIS 99 HD2 HIS 99 124.596 -19.617 -4.247 800 HE1 HIS 99 HE1 HIS 99 126.598 -15.993 -5.144 801 HE2 HIS 99 HE2 HIS 99 126.854 -18.406 -4.394 802 H SER 100 HN SER 100 119.612 -18.471 -2.327 803 HA SER 100 HA SER 100 117.453 -17.994 -3.993 804 1HB SER 100 HB2 SER 100 117.582 -17.862 -0.944 805 2HB SER 100 HB1 SER 100 116.099 -17.860 -1.882 806 HG SER 100 HG SER 100 116.427 -19.830 -2.520 807 H PHE 101 HN PHE 101 119.425 -15.655 -2.386 808 HA PHE 101 HA PHE 101 117.486 -13.545 -3.116 809 1HB PHE 101 HB2 PHE 101 119.737 -13.311 -1.105 810 2HB PHE 101 HB1 PHE 101 118.446 -12.154 -1.396 811 HD1 PHE 101 HD1 PHE 101 115.997 -13.212 -1.068 812 HD2 PHE 101 HD2 PHE 101 119.581 -14.648 0.715 813 HE1 PHE 101 HE1 PHE 101 114.683 -14.303 0.733 814 HE2 PHE 101 HE2 PHE 101 118.261 -15.717 2.491 815 HZ PHE 101 HZ PHE 101 115.826 -15.542 2.482 816 H ASP 102 HN ASP 102 119.558 -14.901 -4.778 817 HA ASP 102 HA ASP 102 121.860 -13.264 -5.032 818 1HB ASP 102 HB2 ASP 102 121.724 -15.608 -5.842 819 2HB ASP 102 HB1 ASP 102 120.694 -15.048 -7.157 820 H ALA 103 HN ALA 103 118.827 -13.342 -6.853 821 HA ALA 103 HA ALA 103 119.649 -11.321 -8.706 822 1HB ALA 103 HB1 ALA 103 117.852 -12.956 -9.222 823 2HB ALA 103 HB2 ALA 103 117.324 -11.284 -9.402 824 3HB ALA 103 HB3 ALA 103 116.848 -12.201 -7.976 825 H ALA 104 HN ALA 104 118.003 -11.501 -5.703 826 HA ALA 104 HA ALA 104 117.005 -8.895 -5.592 827 1HB ALA 104 HB1 ALA 104 116.146 -10.699 -4.259 828 2HB ALA 104 HB2 ALA 104 116.620 -9.328 -3.256 829 3HB ALA 104 HB3 ALA 104 117.650 -10.779 -3.319 830 H GLN 105 HN GLN 105 120.037 -10.290 -4.565 831 HA GLN 105 HA GLN 105 121.253 -8.178 -3.266 832 1HB GLN 105 HB2 GLN 105 122.281 -10.350 -3.422 833 2HB GLN 105 HB1 GLN 105 122.381 -10.226 -5.172 834 1HG GLN 105 HG2 GLN 105 123.987 -8.415 -4.953 835 2HG GLN 105 HG1 GLN 105 123.877 -8.530 -3.198 836 1HE2 GLN 105 HE21 GLN 105 126.107 -8.862 -4.990 837 2HE2 GLN 105 HE22 GLN 105 126.788 -10.414 -4.682 838 H SER 106 HN SER 106 121.319 -8.920 -6.717 839 HA SER 106 HA SER 106 122.722 -6.674 -7.604 840 1HB SER 106 HB2 SER 106 122.484 -8.606 -9.021 841 2HB SER 106 HB1 SER 106 120.730 -8.476 -8.994 842 HG SER 106 HG SER 106 122.634 -6.939 -10.401 843 H ARG 107 HN ARG 107 119.279 -7.252 -7.167 844 HA ARG 107 HA ARG 107 118.309 -4.881 -8.329 845 1HB ARG 107 HB2 ARG 107 117.081 -6.560 -6.162 846 2HB ARG 107 HB1 ARG 107 116.260 -5.267 -7.025 847 1HG ARG 107 HG2 ARG 107 117.336 -7.807 -8.208 848 2HG ARG 107 HG1 ARG 107 115.641 -7.377 -7.907 849 1HD ARG 107 HD2 ARG 107 115.714 -5.624 -9.513 850 2HD ARG 107 HD1 ARG 107 117.464 -5.750 -9.667 851 HE ARG 107 HE ARG 107 116.637 -8.186 -10.434 852 1HH1 ARG 107 HH11 ARG 107 115.515 -4.960 -11.423 853 2HH1 ARG 107 HH12 ARG 107 115.290 -5.406 -13.037 854 1HH2 ARG 107 HH21 ARG 107 116.283 -8.777 -12.600 855 2HH2 ARG 107 HH22 ARG 107 115.647 -7.631 -13.725 856 H VAL 108 HN VAL 108 119.145 -5.564 -4.983 857 HA VAL 108 HA VAL 108 118.414 -2.944 -4.177 858 HB VAL 108 HB VAL 108 119.969 -5.113 -2.766 859 1HG1 VAL 108 HG11 VAL 108 119.068 -2.442 -1.673 860 2HG1 VAL 108 HG12 VAL 108 120.748 -2.891 -1.965 861 3HG1 VAL 108 HG13 VAL 108 119.801 -3.754 -0.747 862 1HG2 VAL 108 HG21 VAL 108 117.610 -5.486 -3.141 863 2HG2 VAL 108 HG22 VAL 108 117.238 -3.920 -2.416 864 3HG2 VAL 108 HG23 VAL 108 117.935 -5.207 -1.429 865 H TYR 109 HN TYR 109 121.450 -4.418 -5.111 866 HA TYR 109 HA TYR 109 123.120 -2.300 -4.451 867 1HB TYR 109 HB2 TYR 109 124.202 -4.308 -5.083 868 2HB TYR 109 HB1 TYR 109 123.307 -4.425 -6.593 869 HD1 TYR 109 HD1 TYR 109 126.154 -2.815 -4.885 870 HD2 TYR 109 HD2 TYR 109 123.987 -3.140 -8.531 871 HE1 TYR 109 HE1 TYR 109 127.942 -1.613 -6.073 872 HE2 TYR 109 HE2 TYR 109 125.745 -1.960 -9.706 873 HH TYR 109 HH TYR 109 127.420 -0.232 -8.991 874 H GLN 110 HN GLN 110 121.449 -2.917 -7.547 875 HA GLN 110 HA GLN 110 122.369 -0.538 -8.779 876 1HB GLN 110 HB2 GLN 110 120.745 -1.032 -10.543 877 2HB GLN 110 HB1 GLN 110 121.609 -2.482 -10.074 878 1HG GLN 110 HG2 GLN 110 119.487 -3.363 -10.164 879 2HG GLN 110 HG1 GLN 110 119.514 -2.741 -8.503 880 1HE2 GLN 110 HE21 GLN 110 119.251 -0.561 -11.212 881 2HE2 GLN 110 HE22 GLN 110 117.605 -0.142 -10.887 882 H LEU 111 HN LEU 111 119.648 -1.348 -6.873 883 HA LEU 111 HA LEU 111 117.860 0.699 -7.251 884 1HB LEU 111 HB2 LEU 111 117.410 -1.328 -6.069 885 2HB LEU 111 HB1 LEU 111 118.588 -0.924 -4.847 886 HG LEU 111 HG LEU 111 117.179 1.000 -4.279 887 1HD1 LEU 111 HD11 LEU 111 115.164 -0.464 -5.997 888 2HD1 LEU 111 HD12 LEU 111 115.827 1.141 -6.302 889 3HD1 LEU 111 HD13 LEU 111 114.781 0.870 -4.909 890 1HD2 LEU 111 HD21 LEU 111 116.077 -1.777 -3.925 891 2HD2 LEU 111 HD22 LEU 111 115.651 -0.387 -2.928 892 3HD2 LEU 111 HD23 LEU 111 117.306 -0.999 -2.933 893 H MET 112 HN MET 112 120.207 0.427 -4.556 894 HA MET 112 HA MET 112 119.749 3.214 -4.180 895 1HB MET 112 HB2 MET 112 121.343 2.939 -2.118 896 2HB MET 112 HB1 MET 112 119.672 2.399 -2.033 897 1HG MET 112 HG2 MET 112 121.186 0.859 -0.952 898 2HG MET 112 HG1 MET 112 120.479 0.096 -2.378 899 1HE MET 112 HE1 MET 112 122.445 -1.785 -2.061 900 2HE MET 112 HE2 MET 112 123.071 -0.850 -0.702 901 3HE MET 112 HE3 MET 112 124.153 -1.307 -2.022 902 H GLU 113 HN GLU 113 121.917 1.556 -5.955 903 HA GLU 113 HA GLU 113 124.135 3.288 -5.884 904 1HB GLU 113 HB2 GLU 113 124.189 1.166 -7.119 905 2HB GLU 113 HB1 GLU 113 122.952 1.749 -8.217 906 1HG GLU 113 HG2 GLU 113 124.510 3.459 -9.043 907 2HG GLU 113 HG1 GLU 113 125.750 2.837 -7.955 908 H GLN 114 HN GLN 114 121.449 3.249 -8.196 909 HA GLN 114 HA GLN 114 122.111 5.707 -9.426 910 1HB GLN 114 HB2 GLN 114 119.852 5.537 -10.472 911 2HB GLN 114 HB1 GLN 114 120.854 4.106 -10.657 912 1HG GLN 114 HG2 GLN 114 119.642 3.098 -8.730 913 2HG GLN 114 HG1 GLN 114 118.559 4.487 -8.758 914 1HE2 GLN 114 HE21 GLN 114 116.823 3.100 -9.155 915 2HE2 GLN 114 HE22 GLN 114 116.574 2.363 -10.693 916 H ASP 115 HN ASP 115 120.549 5.151 -6.506 917 HA ASP 115 HA ASP 115 119.581 7.909 -6.543 918 1HB ASP 115 HB2 ASP 115 118.576 5.545 -4.996 919 2HB ASP 115 HB1 ASP 115 118.291 7.180 -4.411 920 H SER 116 HN SER 116 120.531 5.761 -3.890 921 HA SER 116 HA SER 116 121.279 7.894 -2.288 922 1HB SER 116 HB2 SER 116 121.910 4.965 -2.012 923 2HB SER 116 HB1 SER 116 121.943 6.176 -0.723 924 HG SER 116 HG SER 116 119.765 6.519 -1.016 925 H TYR 117 HN TYR 117 123.246 5.964 -4.543 926 HA TYR 117 HA TYR 117 125.717 6.549 -3.330 927 1HB TYR 117 HB2 TYR 117 125.575 4.723 -4.803 928 2HB TYR 117 HB1 TYR 117 124.941 5.747 -6.109 929 HD1 TYR 117 HD1 TYR 117 126.365 5.771 -7.864 930 HD2 TYR 117 HD2 TYR 117 128.035 5.871 -3.952 931 HE1 TYR 117 HE1 TYR 117 128.616 5.917 -8.833 932 HE2 TYR 117 HE2 TYR 117 130.296 6.021 -4.932 933 HH TYR 117 HH TYR 117 131.435 5.551 -6.944 934 H THR 118 HN THR 118 123.807 8.264 -5.667 935 HA THR 118 HA THR 118 125.828 10.147 -6.367 936 HB THR 118 HB THR 118 123.993 11.527 -7.339 937 HG1 THR 118 HG1 THR 118 122.167 9.576 -6.226 938 1HG2 THR 118 HG21 THR 118 124.863 9.619 -8.634 939 2HG2 THR 118 HG22 THR 118 123.151 9.886 -8.957 940 3HG2 THR 118 HG23 THR 118 123.648 8.566 -7.906 941 H ARG 119 HN ARG 119 123.140 10.283 -4.105 942 HA ARG 119 HA ARG 119 123.647 12.775 -2.931 943 1HB ARG 119 HB2 ARG 119 122.419 10.287 -1.729 944 2HB ARG 119 HB1 ARG 119 122.365 11.880 -0.991 945 1HG ARG 119 HG2 ARG 119 121.300 11.468 -3.743 946 2HG ARG 119 HG1 ARG 119 120.350 10.986 -2.346 947 1HD ARG 119 HD2 ARG 119 119.785 13.241 -3.187 948 2HD ARG 119 HD1 ARG 119 120.321 13.241 -1.517 949 HE ARG 119 HE ARG 119 122.374 14.222 -2.222 950 1HH1 ARG 119 HH11 ARG 119 119.957 14.069 -4.860 951 2HH1 ARG 119 HH12 ARG 119 120.543 15.452 -5.635 952 1HH2 ARG 119 HH21 ARG 119 123.076 16.224 -3.271 953 2HH2 ARG 119 HH22 ARG 119 122.302 16.728 -4.697 954 H PHE 120 HN PHE 120 124.814 9.534 -2.140 955 HA PHE 120 HA PHE 120 126.359 10.116 0.077 956 1HB PHE 120 HB2 PHE 120 126.053 7.825 -0.448 957 2HB PHE 120 HB1 PHE 120 126.669 8.034 -2.082 958 HD1 PHE 120 HD1 PHE 120 128.896 7.635 -2.565 959 HD2 PHE 120 HD2 PHE 120 127.719 8.105 1.498 960 HE1 PHE 120 HE1 PHE 120 131.139 6.970 -1.843 961 HE2 PHE 120 HE2 PHE 120 129.995 7.425 2.217 962 HZ PHE 120 HZ PHE 120 131.682 6.869 0.549 963 H LEU 121 HN LEU 121 127.223 10.286 -3.344 964 HA LEU 121 HA LEU 121 129.889 11.002 -2.911 965 1HB LEU 121 HB2 LEU 121 128.103 11.588 -5.263 966 2HB LEU 121 HB1 LEU 121 129.830 11.904 -5.243 967 HG LEU 121 HG LEU 121 128.532 9.194 -4.968 968 1HD1 LEU 121 HD11 LEU 121 128.368 10.090 -7.226 969 2HD1 LEU 121 HD12 LEU 121 129.501 8.743 -7.151 970 3HD1 LEU 121 HD13 LEU 121 130.106 10.400 -7.238 971 1HD2 LEU 121 HD21 LEU 121 130.810 8.313 -5.062 972 2HD2 LEU 121 HD22 LEU 121 130.631 9.419 -3.686 973 3HD2 LEU 121 HD23 LEU 121 131.442 9.957 -5.138 974 H LYS 122 HN LYS 122 127.017 12.909 -2.770 975 HA LYS 122 HA LYS 122 128.744 15.264 -2.383 976 1HB LYS 122 HB2 LYS 122 126.865 15.267 -4.118 977 2HB LYS 122 HB1 LYS 122 125.751 15.318 -2.761 978 1HG LYS 122 HG2 LYS 122 126.156 17.533 -3.713 979 2HG LYS 122 HG1 LYS 122 126.692 17.430 -2.036 980 1HD LYS 122 HD2 LYS 122 128.339 18.620 -3.395 981 2HD LYS 122 HD1 LYS 122 129.003 17.099 -2.793 982 1HE LYS 122 HE2 LYS 122 128.588 16.051 -4.905 983 2HE LYS 122 HE1 LYS 122 127.855 17.527 -5.555 984 1HZ LYS 122 HZ1 LYS 122 130.052 17.513 -6.345 985 2HZ LYS 122 HZ2 LYS 122 130.671 16.937 -4.919 986 3HZ LYS 122 HZ3 LYS 122 130.151 18.553 -5.001 987 H SER 123 HN SER 123 127.644 12.972 -0.468 988 HA SER 123 HA SER 123 126.448 14.468 1.683 989 1HB SER 123 HB2 SER 123 126.577 12.432 2.955 990 2HB SER 123 HB1 SER 123 126.123 11.986 1.310 991 HG SER 123 HG SER 123 128.258 11.400 0.912 992 H ASP 124 HN ASP 124 127.452 14.604 3.820 993 HA ASP 124 HA ASP 124 130.023 15.778 3.664 994 1HB ASP 124 HB2 ASP 124 129.945 16.061 6.115 995 2HB ASP 124 HB1 ASP 124 128.474 16.620 5.339 996 H ILE 125 HN ILE 125 129.055 12.491 4.310 997 HA ILE 125 HA ILE 125 131.526 11.878 5.571 998 HB ILE 125 HB ILE 125 129.629 10.334 6.026 999 1HG1 ILE 125 HG12 ILE 125 130.764 8.186 5.717 1000 2HG1 ILE 125 HG11 ILE 125 131.853 8.925 4.551 1001 1HG2 ILE 125 HG21 ILE 125 128.729 8.818 4.427 1002 2HG2 ILE 125 HG22 ILE 125 129.937 9.260 3.255 1003 3HG2 ILE 125 HG23 ILE 125 128.654 10.426 3.669 1004 1HD1 ILE 125 HD11 ILE 125 132.908 8.643 6.705 1005 2HD1 ILE 125 HD12 ILE 125 131.643 9.606 7.467 1006 3HD1 ILE 125 HD13 ILE 125 132.744 10.353 6.307 1007 H TYR 126 HN TYR 126 130.362 11.507 2.240 1008 HA TYR 126 HA TYR 126 132.880 10.412 1.464 1009 1HB TYR 126 HB2 TYR 126 130.899 9.856 0.156 1010 2HB TYR 126 HB1 TYR 126 130.688 11.545 -0.288 1011 HD1 TYR 126 HD1 TYR 126 131.737 12.395 -2.192 1012 HD2 TYR 126 HD2 TYR 126 133.036 8.673 -0.623 1013 HE1 TYR 126 HE1 TYR 126 133.180 12.112 -4.117 1014 HE2 TYR 126 HE2 TYR 126 134.479 8.341 -2.578 1015 HH TYR 126 HH TYR 126 134.832 9.105 -4.711 1016 H LEU 127 HN LEU 127 131.529 13.643 1.510 1017 HA LEU 127 HA LEU 127 133.645 14.786 0.055 1018 1HB LEU 127 HB2 LEU 127 131.663 16.020 1.969 1019 2HB LEU 127 HB1 LEU 127 132.836 16.974 1.068 1020 HG LEU 127 HG LEU 127 130.632 15.259 -0.077 1021 1HD1 LEU 127 HD11 LEU 127 129.619 17.351 -0.743 1022 2HD1 LEU 127 HD12 LEU 127 130.904 18.247 0.072 1023 3HD1 LEU 127 HD13 LEU 127 129.787 17.251 1.010 1024 1HD2 LEU 127 HD21 LEU 127 132.565 17.105 -1.478 1025 2HD2 LEU 127 HD22 LEU 127 131.212 16.242 -2.219 1026 3HD2 LEU 127 HD23 LEU 127 132.574 15.340 -1.552 1027 H ASP 128 HN ASP 128 133.288 14.014 3.473 1028 HA ASP 128 HA ASP 128 135.645 15.358 4.306 1029 1HB ASP 128 HB2 ASP 128 134.037 14.560 5.960 1030 2HB ASP 128 HB1 ASP 128 134.358 12.891 5.494 1031 H LEU 129 HN LEU 129 135.050 12.223 2.902 1032 HA LEU 129 HA LEU 129 137.667 11.160 3.249 1033 1HB LEU 129 HB2 LEU 129 135.929 10.481 0.853 1034 2HB LEU 129 HB1 LEU 129 137.110 9.521 1.670 1035 HG LEU 129 HG LEU 129 134.481 10.268 2.915 1036 1HD1 LEU 129 HD11 LEU 129 135.329 7.722 1.576 1037 2HD1 LEU 129 HD12 LEU 129 134.132 8.876 0.987 1038 3HD1 LEU 129 HD13 LEU 129 133.830 7.971 2.470 1039 1HD2 LEU 129 HD21 LEU 129 136.609 8.294 3.739 1040 2HD2 LEU 129 HD22 LEU 129 135.024 8.451 4.480 1041 3HD2 LEU 129 HD23 LEU 129 136.181 9.788 4.581 1042 H MET 130 HN MET 130 136.139 13.213 0.923 1043 HA MET 130 HA MET 130 138.171 13.341 -1.059 1044 1HB MET 130 HB2 MET 130 136.076 15.397 -0.327 1045 2HB MET 130 HB1 MET 130 137.080 15.457 -1.755 1046 1HG MET 130 HG2 MET 130 135.018 13.314 -1.177 1047 2HG MET 130 HG1 MET 130 134.760 14.723 -2.181 1048 1HE MET 130 HE1 MET 130 137.442 11.135 -3.212 1049 2HE MET 130 HE2 MET 130 136.227 11.131 -1.935 1050 3HE MET 130 HE3 MET 130 137.685 12.115 -1.766 1051 H GLU 131 HN GLU 131 137.326 15.342 1.673 1052 HA GLU 131 HA GLU 131 138.228 16.867 2.891 1053 1HB GLU 131 HB2 GLU 131 140.573 16.709 3.653 1054 2HB GLU 131 HB1 GLU 131 139.691 15.201 3.749 1055 1HG GLU 131 HG2 GLU 131 140.858 14.357 1.826 1056 2HG GLU 131 HG1 GLU 131 141.648 15.918 1.586 1057 H GLY 132 HN GLY 132 139.107 17.009 -0.292 1058 1HA GLY 132 HA2 GLY 132 140.454 19.507 -0.315 1059 2HA GLY 132 HA1 GLY 132 139.452 18.883 -1.632 1060 H ARG 133 HN ARG 133 137.074 18.602 -0.543 1061 HA ARG 133 HA ARG 133 136.329 21.219 0.539 1062 1HB ARG 133 HB2 ARG 133 134.604 19.029 -0.653 1063 2HB ARG 133 HB1 ARG 133 134.001 20.537 0.004 1064 1HG ARG 133 HG2 ARG 133 135.268 21.727 -1.782 1065 2HG ARG 133 HG1 ARG 133 135.648 20.144 -2.482 1066 1HD ARG 133 HD2 ARG 133 133.277 19.641 -2.645 1067 2HD ARG 133 HD1 ARG 133 132.884 21.197 -1.929 1068 HE ARG 133 HE ARG 133 134.125 20.825 -4.580 1069 1HH1 ARG 133 HH11 ARG 133 132.290 22.830 -2.352 1070 2HH1 ARG 133 HH12 ARG 133 131.518 23.758 -3.555 1071 1HH2 ARG 133 HH21 ARG 133 133.115 22.080 -6.263 1072 2HH2 ARG 133 HH22 ARG 133 131.998 23.306 -5.862 1073 HA PRO 134 HA PRO 134 136.329 18.627 4.241 1074 1HB PRO 134 HB2 PRO 134 135.770 21.159 5.626 1075 2HB PRO 134 HB1 PRO 134 137.148 20.070 5.804 1076 1HG PRO 134 HG2 PRO 134 137.390 22.477 4.639 1077 2HG PRO 134 HG1 PRO 134 138.336 21.077 4.102 1078 1HD PRO 134 HD2 PRO 134 135.857 22.260 2.903 1079 2HD PRO 134 HD1 PRO 134 137.334 21.687 2.098 Start of MODEL 11 1 1H SER 1 HT1 SER 1 143.134 1.496 8.150 2 2H SER 1 HT2 SER 1 142.177 0.569 9.180 3 3H SER 1 HT3 SER 1 143.082 1.892 9.793 4 HA SER 1 HA SER 1 140.819 2.035 7.936 5 1HB SER 1 HB2 SER 1 141.125 2.961 10.802 6 2HB SER 1 HB1 SER 1 139.704 3.203 9.788 7 HG SER 1 HG SER 1 139.287 1.470 11.001 8 H MET 2 HN MET 2 141.791 3.350 6.403 9 HA MET 2 HA MET 2 141.850 6.092 6.990 10 1HB MET 2 HB2 MET 2 144.177 6.602 6.419 11 2HB MET 2 HB1 MET 2 144.125 5.576 7.839 12 1HG MET 2 HG2 MET 2 144.730 3.651 6.485 13 2HG MET 2 HG1 MET 2 144.723 4.654 5.036 14 1HE MET 2 HE1 MET 2 147.167 2.817 5.839 15 2HE MET 2 HE2 MET 2 148.527 3.900 5.542 16 3HE MET 2 HE3 MET 2 147.172 3.857 4.413 17 H VAL 3 HN VAL 3 141.814 7.290 5.067 18 HA VAL 3 HA VAL 3 142.183 5.827 2.630 19 HB VAL 3 HB VAL 3 139.814 5.328 2.971 20 1HG1 VAL 3 HG11 VAL 3 138.117 7.004 3.224 21 2HG1 VAL 3 HG12 VAL 3 139.307 8.285 3.124 22 3HG1 VAL 3 HG13 VAL 3 139.298 7.198 4.533 23 1HG2 VAL 3 HG21 VAL 3 140.537 5.887 0.690 24 2HG2 VAL 3 HG22 VAL 3 139.982 7.556 0.945 25 3HG2 VAL 3 HG23 VAL 3 138.842 6.229 0.993 26 H SER 4 HN SER 4 143.452 6.942 1.499 27 HA SER 4 HA SER 4 143.956 9.705 1.633 28 1HB SER 4 HB2 SER 4 145.549 8.104 0.667 29 2HB SER 4 HB1 SER 4 144.392 7.652 -0.575 30 HG SER 4 HG SER 4 145.844 9.016 -1.452 31 HA PRO 5 HA PRO 5 140.378 11.380 -0.482 32 1HB PRO 5 HB2 PRO 5 141.661 13.349 -1.978 33 2HB PRO 5 HB1 PRO 5 141.094 13.539 -0.316 34 1HG PRO 5 HG2 PRO 5 143.829 12.934 -1.329 35 2HG PRO 5 HG1 PRO 5 143.333 13.951 0.036 36 1HD PRO 5 HD2 PRO 5 144.336 11.503 0.411 37 2HD PRO 5 HD1 PRO 5 143.034 12.134 1.439 38 H GLU 6 HN GLU 6 143.260 10.567 -2.249 39 HA GLU 6 HA GLU 6 142.004 10.428 -4.823 40 1HB GLU 6 HB2 GLU 6 144.595 9.250 -3.834 41 2HB GLU 6 HB1 GLU 6 144.091 9.322 -5.516 42 1HG GLU 6 HG2 GLU 6 144.156 11.714 -5.491 43 2HG GLU 6 HG1 GLU 6 144.504 11.724 -3.762 44 H GLU 7 HN GLU 7 142.658 8.194 -2.211 45 HA GLU 7 HA GLU 7 141.858 5.834 -3.586 46 1HB GLU 7 HB2 GLU 7 143.243 5.747 -1.553 47 2HB GLU 7 HB1 GLU 7 141.967 6.515 -0.628 48 1HG GLU 7 HG2 GLU 7 141.936 4.232 -0.068 49 2HG GLU 7 HG1 GLU 7 140.547 4.514 -1.108 50 H ALA 8 HN ALA 8 140.319 8.287 -1.631 51 HA ALA 8 HA ALA 8 137.765 7.087 -1.611 52 1HB ALA 8 HB1 ALA 8 136.953 9.271 -0.643 53 2HB ALA 8 HB2 ALA 8 138.505 9.986 -1.065 54 3HB ALA 8 HB3 ALA 8 138.436 8.689 0.119 55 H VAL 9 HN VAL 9 139.263 9.504 -3.829 56 HA VAL 9 HA VAL 9 136.913 9.872 -5.334 57 HB VAL 9 HB VAL 9 138.166 10.697 -7.217 58 1HG1 VAL 9 HG11 VAL 9 139.447 11.660 -4.698 59 2HG1 VAL 9 HG12 VAL 9 137.952 12.234 -5.419 60 3HG1 VAL 9 HG13 VAL 9 139.490 12.494 -6.254 61 1HG2 VAL 9 HG21 VAL 9 140.616 10.710 -7.341 62 2HG2 VAL 9 HG22 VAL 9 139.932 9.084 -7.406 63 3HG2 VAL 9 HG23 VAL 9 140.672 9.670 -5.917 64 H LYS 10 HN LYS 10 139.162 7.281 -5.331 65 HA LYS 10 HA LYS 10 138.429 5.993 -7.722 66 1HB LYS 10 HB2 LYS 10 139.220 4.714 -5.095 67 2HB LYS 10 HB1 LYS 10 139.193 3.908 -6.651 68 1HG LYS 10 HG2 LYS 10 140.988 6.178 -5.843 69 2HG LYS 10 HG1 LYS 10 141.442 4.482 -5.983 70 1HD LYS 10 HD2 LYS 10 140.896 4.571 -8.388 71 2HD LYS 10 HD1 LYS 10 140.526 6.289 -8.219 72 1HE LYS 10 HE2 LYS 10 142.770 6.025 -9.077 73 2HE LYS 10 HE1 LYS 10 142.835 6.681 -7.441 74 1HZ LYS 10 HZ1 LYS 10 143.283 3.846 -8.203 75 2HZ LYS 10 HZ2 LYS 10 143.380 4.463 -6.609 76 3HZ LYS 10 HZ3 LYS 10 144.482 4.938 -7.766 77 H TRP 11 HN TRP 11 136.822 6.251 -4.697 78 HA TRP 11 HA TRP 11 134.933 4.156 -5.068 79 1HB TRP 11 HB2 TRP 11 134.734 6.637 -3.359 80 2HB TRP 11 HB1 TRP 11 133.700 5.223 -3.234 81 HD1 TRP 11 HD1 TRP 11 136.762 3.573 -3.741 82 HE1 TRP 11 HE1 TRP 11 138.021 3.065 -1.645 83 HE3 TRP 11 HE3 TRP 11 134.279 6.754 -0.643 84 HZ2 TRP 11 HZ2 TRP 11 137.948 3.882 1.118 85 HZ3 TRP 11 HZ3 TRP 11 134.909 6.804 1.755 86 HH2 TRP 11 HH2 TRP 11 136.714 5.411 2.593 87 H GLY 12 HN GLY 12 135.237 7.354 -6.267 88 1HA GLY 12 HA2 GLY 12 132.407 7.697 -6.819 89 2HA GLY 12 HA1 GLY 12 133.686 8.863 -7.121 90 H GLU 13 HN GLU 13 134.876 6.100 -8.301 91 HA GLU 13 HA GLU 13 133.742 6.626 -10.952 92 1HB GLU 13 HB2 GLU 13 135.737 5.433 -11.854 93 2HB GLU 13 HB1 GLU 13 136.130 6.892 -10.956 94 1HG GLU 13 HG2 GLU 13 136.719 5.555 -9.028 95 2HG GLU 13 HG1 GLU 13 136.281 4.094 -9.897 96 H SER 14 HN SER 14 133.772 4.321 -8.438 97 HA SER 14 HA SER 14 132.109 2.553 -10.009 98 1HB SER 14 HB2 SER 14 134.679 1.526 -8.784 99 2HB SER 14 HB1 SER 14 133.446 0.554 -9.585 100 HG SER 14 HG SER 14 134.063 2.451 -11.251 101 H PHE 15 HN PHE 15 130.432 2.311 -8.675 102 HA PHE 15 HA PHE 15 130.402 2.554 -5.902 103 1HB PHE 15 HB2 PHE 15 128.329 2.618 -7.217 104 2HB PHE 15 HB1 PHE 15 128.543 0.936 -7.678 105 HD1 PHE 15 HD1 PHE 15 128.710 2.655 -4.344 106 HD2 PHE 15 HD2 PHE 15 126.837 -0.294 -6.776 107 HE1 PHE 15 HE1 PHE 15 127.311 1.923 -2.416 108 HE2 PHE 15 HE2 PHE 15 125.461 -0.997 -4.846 109 HZ PHE 15 HZ PHE 15 125.710 0.119 -2.696 110 H ASP 16 HN ASP 16 130.920 -0.318 -7.890 111 HA ASP 16 HA ASP 16 130.984 -2.255 -5.855 112 1HB ASP 16 HB2 ASP 16 130.965 -2.853 -8.234 113 2HB ASP 16 HB1 ASP 16 132.594 -2.213 -8.416 114 H LYS 17 HN LYS 17 133.450 -0.050 -6.951 115 HA LYS 17 HA LYS 17 135.613 -1.281 -5.560 116 1HB LYS 17 HB2 LYS 17 136.146 0.076 -7.464 117 2HB LYS 17 HB1 LYS 17 135.278 1.450 -6.790 118 1HG LYS 17 HG2 LYS 17 136.843 1.759 -5.130 119 2HG LYS 17 HG1 LYS 17 137.725 0.270 -5.512 120 1HD LYS 17 HD2 LYS 17 137.460 2.751 -7.239 121 2HD LYS 17 HD1 LYS 17 138.902 2.250 -6.382 122 1HE LYS 17 HE2 LYS 17 138.977 0.180 -7.761 123 2HE LYS 17 HE1 LYS 17 137.585 0.768 -8.668 124 1HZ LYS 17 HZ1 LYS 17 139.710 1.170 -9.772 125 2HZ LYS 17 HZ2 LYS 17 140.231 2.120 -8.499 126 3HZ LYS 17 HZ3 LYS 17 138.932 2.640 -9.480 127 H LEU 18 HN LEU 18 133.587 1.502 -4.971 128 HA LEU 18 HA LEU 18 134.466 2.433 -2.508 129 1HB LEU 18 HB2 LEU 18 132.861 3.653 -3.668 130 2HB LEU 18 HB1 LEU 18 131.829 2.262 -3.902 131 HG LEU 18 HG LEU 18 131.302 2.342 -1.448 132 1HD1 LEU 18 HD11 LEU 18 132.656 5.023 -1.629 133 2HD1 LEU 18 HD12 LEU 18 133.220 3.634 -0.701 134 3HD1 LEU 18 HD13 LEU 18 131.708 4.428 -0.267 135 1HD2 LEU 18 HD21 LEU 18 129.758 4.183 -1.686 136 2HD2 LEU 18 HD22 LEU 18 129.856 3.161 -3.146 137 3HD2 LEU 18 HD23 LEU 18 130.675 4.726 -3.108 138 H LEU 19 HN LEU 19 132.048 0.090 -3.303 139 HA LEU 19 HA LEU 19 131.141 -0.474 -0.719 140 1HB LEU 19 HB2 LEU 19 130.138 -0.667 -3.072 141 2HB LEU 19 HB1 LEU 19 130.896 -2.239 -3.089 142 HG LEU 19 HG LEU 19 129.541 -2.949 -1.218 143 1HD1 LEU 19 HD11 LEU 19 127.844 -1.425 -0.282 144 2HD1 LEU 19 HD12 LEU 19 128.386 -0.150 -1.380 145 3HD1 LEU 19 HD13 LEU 19 129.448 -0.713 -0.106 146 1HD2 LEU 19 HD21 LEU 19 128.678 -3.192 -3.473 147 2HD2 LEU 19 HD22 LEU 19 128.041 -1.549 -3.418 148 3HD2 LEU 19 HD23 LEU 19 127.362 -2.782 -2.364 149 H SER 20 HN SER 20 133.643 -1.857 -2.733 150 HA SER 20 HA SER 20 133.930 -4.117 -0.939 151 1HB SER 20 HB2 SER 20 135.304 -3.501 -3.549 152 2HB SER 20 HB1 SER 20 135.463 -5.003 -2.630 153 HG SER 20 HG SER 20 133.363 -4.014 -4.134 154 H HIS 21 HN HIS 21 134.851 -1.111 -0.659 155 HA HIS 21 HA HIS 21 137.518 -1.775 0.429 156 1HB HIS 21 HB2 HIS 21 136.940 0.394 -1.197 157 2HB HIS 21 HB1 HIS 21 136.508 1.037 0.370 158 HD1 HIS 21 HD1 HIS 21 138.530 1.727 1.971 159 HD2 HIS 21 HD2 HIS 21 139.656 -0.178 -1.556 160 HE1 HIS 21 HE1 HIS 21 140.912 2.174 1.727 161 HE2 HIS 21 HE2 HIS 21 141.460 1.355 -0.572 162 H ARG 22 HN ARG 22 137.548 -1.811 2.648 163 HA ARG 22 HA ARG 22 135.172 -2.029 4.141 164 1HB ARG 22 HB2 ARG 22 137.494 -2.834 4.769 165 2HB ARG 22 HB1 ARG 22 137.837 -1.182 5.255 166 1HG ARG 22 HG2 ARG 22 135.597 -1.584 6.663 167 2HG ARG 22 HG1 ARG 22 136.191 -3.244 6.573 168 1HD ARG 22 HD2 ARG 22 137.149 -2.355 8.530 169 2HD ARG 22 HD1 ARG 22 138.438 -2.302 7.323 170 HE ARG 22 HE ARG 22 136.854 -0.050 8.306 171 1HH1 ARG 22 HH11 ARG 22 139.769 -1.199 6.638 172 2HH1 ARG 22 HH12 ARG 22 140.359 0.368 6.305 173 1HH2 ARG 22 HH21 ARG 22 137.658 2.088 7.846 174 2HH2 ARG 22 HH22 ARG 22 139.067 2.270 6.911 175 H ASP 23 HN ASP 23 137.441 0.662 3.891 176 HA ASP 23 HA ASP 23 136.242 2.550 5.566 177 1HB ASP 23 HB2 ASP 23 137.588 3.202 2.942 178 2HB ASP 23 HB1 ASP 23 137.426 4.250 4.340 179 H GLY 24 HN GLY 24 135.552 1.696 2.227 180 1HA GLY 24 HA2 GLY 24 133.838 3.988 1.829 181 2HA GLY 24 HA1 GLY 24 134.176 2.732 0.655 182 H LEU 25 HN LEU 25 133.522 0.525 2.106 183 HA LEU 25 HA LEU 25 130.779 0.311 1.961 184 1HB LEU 25 HB2 LEU 25 131.806 -1.731 2.000 185 2HB LEU 25 HB1 LEU 25 133.015 -1.223 3.147 186 HG LEU 25 HG LEU 25 130.238 -1.676 4.175 187 1HD1 LEU 25 HD11 LEU 25 132.233 -3.850 3.490 188 2HD1 LEU 25 HD12 LEU 25 130.681 -3.602 2.688 189 3HD1 LEU 25 HD13 LEU 25 130.731 -4.071 4.386 190 1HD2 LEU 25 HD21 LEU 25 132.064 -0.870 5.674 191 2HD2 LEU 25 HD22 LEU 25 133.025 -2.258 5.202 192 3HD2 LEU 25 HD23 LEU 25 131.530 -2.499 6.107 193 H GLU 26 HN GLU 26 132.861 1.181 4.602 194 HA GLU 26 HA GLU 26 130.820 1.504 6.513 195 1HB GLU 26 HB2 GLU 26 133.047 0.968 7.084 196 2HB GLU 26 HB1 GLU 26 133.678 2.436 6.364 197 1HG GLU 26 HG2 GLU 26 133.666 2.650 8.771 198 2HG GLU 26 HG1 GLU 26 132.500 3.765 8.067 199 H ALA 27 HN ALA 27 132.489 3.759 4.252 200 HA ALA 27 HA ALA 27 131.319 6.120 5.307 201 1HB ALA 27 HB1 ALA 27 132.336 5.558 2.497 202 2HB ALA 27 HB2 ALA 27 133.261 6.345 3.773 203 3HB ALA 27 HB3 ALA 27 131.842 7.128 3.080 204 H PHE 28 HN PHE 28 130.338 3.870 2.822 205 HA PHE 28 HA PHE 28 128.063 5.373 2.023 206 1HB PHE 28 HB2 PHE 28 129.303 3.845 0.516 207 2HB PHE 28 HB1 PHE 28 128.737 2.481 1.469 208 HD1 PHE 28 HD1 PHE 28 127.548 5.347 -0.548 209 HD2 PHE 28 HD2 PHE 28 126.728 1.453 0.935 210 HE1 PHE 28 HE1 PHE 28 125.539 5.243 -1.948 211 HE2 PHE 28 HE2 PHE 28 124.718 1.340 -0.466 212 HZ PHE 28 HZ PHE 28 124.118 3.238 -1.910 213 H THR 29 HN THR 29 128.642 2.878 4.402 214 HA THR 29 HA THR 29 125.812 2.345 4.615 215 HB THR 29 HB THR 29 127.409 0.428 5.100 216 HG1 THR 29 HG1 THR 29 125.895 -0.384 6.411 217 1HG2 THR 29 HG21 THR 29 129.137 1.670 6.340 218 2HG2 THR 29 HG22 THR 29 128.518 0.321 7.293 219 3HG2 THR 29 HG23 THR 29 127.986 1.965 7.643 220 H ARG 30 HN ARG 30 128.250 4.180 6.180 221 HA ARG 30 HA ARG 30 126.868 5.127 8.372 222 1HB ARG 30 HB2 ARG 30 129.218 5.534 8.054 223 2HB ARG 30 HB1 ARG 30 128.917 6.399 6.556 224 1HG ARG 30 HG2 ARG 30 127.877 8.068 7.637 225 2HG ARG 30 HG1 ARG 30 127.990 7.325 9.256 226 1HD ARG 30 HD2 ARG 30 130.521 7.343 8.878 227 2HD ARG 30 HD1 ARG 30 130.217 8.372 7.479 228 HE ARG 30 HE ARG 30 129.022 9.357 9.885 229 1HH1 ARG 30 HH11 ARG 30 132.015 9.425 7.939 230 2HH1 ARG 30 HH12 ARG 30 132.630 10.785 8.722 231 1HH2 ARG 30 HH21 ARG 30 129.872 11.238 10.909 232 2HH2 ARG 30 HH22 ARG 30 131.378 11.869 10.432 233 H PHE 31 HN PHE 31 127.026 6.380 5.055 234 HA PHE 31 HA PHE 31 125.259 8.483 5.228 235 1HB PHE 31 HB2 PHE 31 126.679 8.156 3.298 236 2HB PHE 31 HB1 PHE 31 125.892 6.630 2.922 237 HD1 PHE 31 HD1 PHE 31 123.990 6.568 1.552 238 HD2 PHE 31 HD2 PHE 31 125.351 10.286 3.102 239 HE1 PHE 31 HE1 PHE 31 122.406 7.749 0.101 240 HE2 PHE 31 HE2 PHE 31 123.762 11.472 1.651 241 HZ PHE 31 HZ PHE 31 122.286 10.201 0.152 242 H LEU 32 HN LEU 32 124.540 5.053 4.489 243 HA LEU 32 HA LEU 32 121.833 5.840 4.412 244 1HB LEU 32 HB2 LEU 32 121.326 3.327 4.038 245 2HB LEU 32 HB1 LEU 32 121.958 4.356 2.786 246 HG LEU 32 HG LEU 32 124.245 3.378 3.336 247 1HD1 LEU 32 HD11 LEU 32 124.320 1.303 4.468 248 2HD1 LEU 32 HD12 LEU 32 122.585 1.298 4.647 249 3HD1 LEU 32 HD13 LEU 32 123.558 2.484 5.549 250 1HD2 LEU 32 HD21 LEU 32 123.839 1.366 2.038 251 2HD2 LEU 32 HD22 LEU 32 122.977 2.750 1.364 252 3HD2 LEU 32 HD23 LEU 32 122.104 1.537 2.302 253 H LYS 33 HN LYS 33 123.688 4.536 6.935 254 HA LYS 33 HA LYS 33 121.441 3.847 8.576 255 1HB LYS 33 HB2 LYS 33 124.219 4.795 9.338 256 2HB LYS 33 HB1 LYS 33 123.026 4.212 10.493 257 1HG LYS 33 HG2 LYS 33 123.062 2.037 9.519 258 2HG LYS 33 HG1 LYS 33 124.092 2.601 8.201 259 1HD LYS 33 HD2 LYS 33 125.833 3.143 9.847 260 2HD LYS 33 HD1 LYS 33 124.807 2.462 11.114 261 1HE LYS 33 HE2 LYS 33 124.873 0.306 10.101 262 2HE LYS 33 HE1 LYS 33 125.690 0.948 8.677 263 1HZ LYS 33 HZ1 LYS 33 127.551 1.509 10.029 264 2HZ LYS 33 HZ2 LYS 33 127.242 -0.154 10.122 265 3HZ LYS 33 HZ3 LYS 33 126.834 0.880 11.417 266 H THR 34 HN THR 34 123.228 6.681 7.875 267 HA THR 34 HA THR 34 122.182 8.570 9.533 268 HB THR 34 HB THR 34 123.587 8.297 7.032 269 HG1 THR 34 HG1 THR 34 124.509 8.558 9.071 270 1HG2 THR 34 HG21 THR 34 122.273 10.982 7.516 271 2HG2 THR 34 HG22 THR 34 122.083 9.843 6.145 272 3HG2 THR 34 HG23 THR 34 123.625 10.634 6.401 273 H GLU 35 HN GLU 35 120.667 7.064 6.755 274 HA GLU 35 HA GLU 35 118.341 8.817 7.165 275 1HB GLU 35 HB2 GLU 35 117.756 8.355 4.797 276 2HB GLU 35 HB1 GLU 35 119.232 9.284 5.022 277 1HG GLU 35 HG2 GLU 35 120.557 7.283 4.633 278 2HG GLU 35 HG1 GLU 35 119.076 6.342 4.427 279 H PHE 36 HN PHE 36 119.320 5.961 8.024 280 HA PHE 36 HA PHE 36 118.441 3.997 8.623 281 1HB PHE 36 HB2 PHE 36 115.852 5.545 8.408 282 2HB PHE 36 HB1 PHE 36 115.966 3.928 9.104 283 HD1 PHE 36 HD1 PHE 36 117.056 3.561 11.223 284 HD2 PHE 36 HD2 PHE 36 116.783 7.466 9.567 285 HE1 PHE 36 HE1 PHE 36 117.702 4.518 13.387 286 HE2 PHE 36 HE2 PHE 36 117.426 8.430 11.731 287 HZ PHE 36 HZ PHE 36 117.888 6.955 13.646 288 H SER 37 HN SER 37 118.932 4.473 5.871 289 HA SER 37 HA SER 37 117.147 2.558 4.515 290 1HB SER 37 HB2 SER 37 119.325 4.347 3.389 291 2HB SER 37 HB1 SER 37 118.136 3.429 2.466 292 HG SER 37 HG SER 37 117.824 5.783 2.903 293 H GLU 38 HN GLU 38 119.076 2.001 6.570 294 HA GLU 38 HA GLU 38 121.471 1.200 5.360 295 1HB GLU 38 HB2 GLU 38 121.858 0.225 7.790 296 2HB GLU 38 HB1 GLU 38 122.012 1.925 7.400 297 1HG GLU 38 HG2 GLU 38 120.817 1.490 9.516 298 2HG GLU 38 HG1 GLU 38 119.875 2.412 8.354 299 H GLU 39 HN GLU 39 118.533 -0.350 5.665 300 HA GLU 39 HA GLU 39 119.468 -2.960 6.212 301 1HB GLU 39 HB2 GLU 39 117.317 -3.842 5.567 302 2HB GLU 39 HB1 GLU 39 117.073 -2.415 6.545 303 1HG GLU 39 HG2 GLU 39 116.908 -2.413 3.542 304 2HG GLU 39 HG1 GLU 39 115.528 -2.709 4.595 305 H ASN 40 HN ASN 40 119.016 -1.098 3.367 306 HA ASN 40 HA ASN 40 119.138 -2.864 1.279 307 1HB ASN 40 HB2 ASN 40 120.481 -0.214 1.625 308 2HB ASN 40 HB1 ASN 40 120.563 -1.052 0.101 309 1HD2 ASN 40 HD21 ASN 40 118.725 0.874 2.212 310 2HD2 ASN 40 HD22 ASN 40 117.326 1.060 1.233 311 H ILE 41 HN ILE 41 122.028 -1.407 2.703 312 HA ILE 41 HA ILE 41 123.759 -2.955 1.102 313 HB ILE 41 HB ILE 41 124.206 -0.653 2.002 314 1HG1 ILE 41 HG12 ILE 41 126.397 -2.725 2.441 315 2HG1 ILE 41 HG11 ILE 41 125.962 -1.939 0.949 316 1HG2 ILE 41 HG21 ILE 41 124.680 -2.069 4.641 317 2HG2 ILE 41 HG22 ILE 41 123.568 -0.768 4.250 318 3HG2 ILE 41 HG23 ILE 41 125.292 -0.469 4.226 319 1HD1 ILE 41 HD11 ILE 41 126.566 0.217 1.880 320 2HD1 ILE 41 HD12 ILE 41 127.914 -0.914 1.820 321 3HD1 ILE 41 HD13 ILE 41 127.110 -0.574 3.367 322 H GLU 42 HN GLU 42 122.684 -3.180 4.475 323 HA GLU 42 HA GLU 42 124.382 -5.430 4.914 324 1HB GLU 42 HB2 GLU 42 122.489 -3.835 6.520 325 2HB GLU 42 HB1 GLU 42 122.767 -5.489 7.042 326 1HG GLU 42 HG2 GLU 42 124.124 -3.566 7.999 327 2HG GLU 42 HG1 GLU 42 125.057 -5.051 7.574 328 H PHE 43 HN PHE 43 121.377 -5.012 3.493 329 HA PHE 43 HA PHE 43 120.030 -7.416 3.947 330 1HB PHE 43 HB2 PHE 43 118.883 -5.599 2.906 331 2HB PHE 43 HB1 PHE 43 120.087 -5.471 1.643 332 HD1 PHE 43 HD1 PHE 43 120.053 -6.969 -0.254 333 HD2 PHE 43 HD2 PHE 43 117.138 -7.200 2.819 334 HE1 PHE 43 HE1 PHE 43 118.630 -8.308 -1.728 335 HE2 PHE 43 HE2 PHE 43 115.706 -8.518 1.363 336 HZ PHE 43 HZ PHE 43 116.455 -9.094 -0.924 337 H TRP 44 HN TRP 44 122.071 -6.447 1.175 338 HA TRP 44 HA TRP 44 122.132 -9.247 0.699 339 1HB TRP 44 HB2 TRP 44 123.647 -8.870 -1.298 340 2HB TRP 44 HB1 TRP 44 122.015 -8.248 -1.374 341 HD1 TRP 44 HD1 TRP 44 121.927 -6.043 -2.518 342 HE1 TRP 44 HE1 TRP 44 123.467 -4.038 -2.796 343 HE3 TRP 44 HE3 TRP 44 125.833 -7.637 0.348 344 HZ2 TRP 44 HZ2 TRP 44 125.999 -3.215 -1.869 345 HZ3 TRP 44 HZ3 TRP 44 127.773 -6.160 0.613 346 HH2 TRP 44 HH2 TRP 44 127.851 -4.004 -0.479 347 H ILE 45 HN ILE 45 124.113 -7.254 2.477 348 HA ILE 45 HA ILE 45 126.248 -9.072 2.570 349 HB ILE 45 HB ILE 45 125.272 -7.008 4.548 350 1HG1 ILE 45 HG12 ILE 45 127.774 -7.336 2.886 351 2HG1 ILE 45 HG11 ILE 45 126.459 -6.210 2.606 352 1HG2 ILE 45 HG21 ILE 45 127.138 -7.464 6.046 353 2HG2 ILE 45 HG22 ILE 45 127.627 -8.835 5.042 354 3HG2 ILE 45 HG23 ILE 45 126.089 -8.884 5.912 355 1HD1 ILE 45 HD11 ILE 45 127.053 -5.041 4.673 356 2HD1 ILE 45 HD12 ILE 45 128.384 -5.081 3.512 357 3HD1 ILE 45 HD13 ILE 45 128.391 -6.163 4.905 358 H ALA 46 HN ALA 46 123.114 -9.025 4.129 359 HA ALA 46 HA ALA 46 123.535 -11.243 5.782 360 1HB ALA 46 HB1 ALA 46 121.553 -9.915 6.149 361 2HB ALA 46 HB2 ALA 46 121.003 -11.532 5.623 362 3HB ALA 46 HB3 ALA 46 121.018 -10.197 4.496 363 H CYS 47 HN CYS 47 122.682 -10.909 2.390 364 HA CYS 47 HA CYS 47 122.219 -13.699 1.941 365 1HB CYS 47 HB2 CYS 47 121.231 -11.993 0.446 366 2HB CYS 47 HB1 CYS 47 122.843 -11.529 -0.090 367 HG CYS 47 HG CYS 47 122.826 -14.639 -0.618 368 H GLU 48 HN GLU 48 125.007 -11.594 1.617 369 HA GLU 48 HA GLU 48 126.849 -13.465 0.591 370 1HB GLU 48 HB2 GLU 48 127.496 -11.226 0.561 371 2HB GLU 48 HB1 GLU 48 126.983 -10.942 2.202 372 1HG GLU 48 HG2 GLU 48 129.380 -10.801 2.073 373 2HG GLU 48 HG1 GLU 48 128.962 -12.255 2.967 374 H ASP 49 HN ASP 49 126.003 -12.523 3.862 375 HA ASP 49 HA ASP 49 127.551 -14.375 5.298 376 1HB ASP 49 HB2 ASP 49 126.540 -12.336 6.239 377 2HB ASP 49 HB1 ASP 49 124.942 -13.026 6.017 378 H PHE 50 HN PHE 50 124.693 -14.680 3.537 379 HA PHE 50 HA PHE 50 123.742 -17.122 4.735 380 1HB PHE 50 HB2 PHE 50 122.158 -15.488 3.931 381 2HB PHE 50 HB1 PHE 50 122.900 -15.486 2.345 382 HD1 PHE 50 HD1 PHE 50 122.148 -16.902 0.701 383 HD2 PHE 50 HD2 PHE 50 121.016 -17.545 4.722 384 HE1 PHE 50 HE1 PHE 50 120.534 -18.577 -0.035 385 HE2 PHE 50 HE2 PHE 50 119.400 -19.245 4.000 386 HZ PHE 50 HZ PHE 50 119.155 -19.757 1.614 387 H LYS 51 HN LYS 51 125.327 -16.128 1.687 388 HA LYS 51 HA LYS 51 125.297 -18.758 0.602 389 1HB LYS 51 HB2 LYS 51 126.691 -17.919 -1.203 390 2HB LYS 51 HB1 LYS 51 125.371 -16.814 -0.886 391 1HG LYS 51 HG2 LYS 51 126.889 -15.278 0.234 392 2HG LYS 51 HG1 LYS 51 128.222 -16.423 0.036 393 1HD LYS 51 HD2 LYS 51 127.982 -16.277 -2.396 394 2HD LYS 51 HD1 LYS 51 126.654 -15.142 -2.197 395 1HE LYS 51 HE2 LYS 51 128.731 -14.018 -2.798 396 2HE LYS 51 HE1 LYS 51 128.174 -13.527 -1.202 397 1HZ LYS 51 HZ1 LYS 51 130.215 -15.664 -1.524 398 2HZ LYS 51 HZ2 LYS 51 129.888 -14.651 -0.171 399 3HZ LYS 51 HZ3 LYS 51 130.600 -14.025 -1.535 400 H LYS 52 HN LYS 52 127.420 -17.141 2.731 401 HA LYS 52 HA LYS 52 129.623 -18.929 2.251 402 1HB LYS 52 HB2 LYS 52 130.695 -17.836 4.199 403 2HB LYS 52 HB1 LYS 52 130.116 -16.667 3.000 404 1HG LYS 52 HG2 LYS 52 128.179 -16.209 4.384 405 2HG LYS 52 HG1 LYS 52 128.718 -17.404 5.558 406 1HD LYS 52 HD2 LYS 52 129.263 -15.174 6.322 407 2HD LYS 52 HD1 LYS 52 130.740 -16.063 5.962 408 1HE LYS 52 HE2 LYS 52 130.965 -14.886 3.854 409 2HE LYS 52 HE1 LYS 52 129.422 -14.071 4.115 410 1HZ LYS 52 HZ1 LYS 52 131.838 -13.762 5.831 411 2HZ LYS 52 HZ2 LYS 52 130.349 -13.028 6.078 412 3HZ LYS 52 HZ3 LYS 52 131.259 -12.603 4.733 413 H SER 53 HN SER 53 126.707 -19.418 3.700 414 HA SER 53 HA SER 53 127.619 -21.133 5.813 415 1HB SER 53 HB2 SER 53 124.866 -20.777 4.576 416 2HB SER 53 HB1 SER 53 125.214 -21.672 6.055 417 HG SER 53 HG SER 53 126.297 -19.350 6.438 418 H LYS 54 HN LYS 54 126.979 -23.491 5.733 419 HA LYS 54 HA LYS 54 126.909 -24.557 3.040 420 1HB LYS 54 HB2 LYS 54 128.800 -26.170 3.672 421 2HB LYS 54 HB1 LYS 54 129.225 -24.526 3.243 422 1HG LYS 54 HG2 LYS 54 130.582 -25.170 5.082 423 2HG LYS 54 HG1 LYS 54 129.402 -24.016 5.685 424 1HD LYS 54 HD2 LYS 54 128.074 -25.871 6.592 425 2HD LYS 54 HD1 LYS 54 129.269 -27.015 5.980 426 1HE LYS 54 HE2 LYS 54 129.735 -24.868 8.051 427 2HE LYS 54 HE1 LYS 54 129.648 -26.604 8.344 428 1HZ LYS 54 HZ1 LYS 54 131.750 -25.161 6.801 429 2HZ LYS 54 HZ2 LYS 54 131.596 -26.811 6.811 430 3HZ LYS 54 HZ3 LYS 54 131.947 -25.996 8.262 431 H GLY 55 HN GLY 55 125.358 -24.478 5.670 432 1HA GLY 55 HA2 GLY 55 124.866 -27.355 5.897 433 2HA GLY 55 HA1 GLY 55 124.384 -26.131 7.078 434 HA PRO 56 HA PRO 56 121.570 -26.228 3.160 435 1HB PRO 56 HB2 PRO 56 120.649 -29.013 3.412 436 2HB PRO 56 HB1 PRO 56 121.204 -28.092 1.997 437 1HG PRO 56 HG2 PRO 56 122.701 -30.048 3.136 438 2HG PRO 56 HG1 PRO 56 123.393 -28.641 2.310 439 1HD PRO 56 HD2 PRO 56 123.066 -29.147 5.244 440 2HD PRO 56 HD1 PRO 56 124.420 -28.395 4.373 441 H GLN 57 HN GLN 57 120.946 -27.994 6.181 442 HA GLN 57 HA GLN 57 118.177 -27.284 6.219 443 1HB GLN 57 HB2 GLN 57 118.074 -27.927 8.552 444 2HB GLN 57 HB1 GLN 57 119.031 -29.133 7.703 445 1HG GLN 57 HG2 GLN 57 120.044 -26.929 9.509 446 2HG GLN 57 HG1 GLN 57 119.901 -28.629 9.930 447 1HE2 GLN 57 HE21 GLN 57 121.411 -30.059 9.126 448 2HE2 GLN 57 HE22 GLN 57 122.895 -29.534 8.400 449 H GLN 58 HN GLN 58 121.081 -25.813 7.353 450 HA GLN 58 HA GLN 58 120.107 -23.668 8.850 451 1HB GLN 58 HB2 GLN 58 122.440 -24.389 8.854 452 2HB GLN 58 HB1 GLN 58 122.600 -23.971 7.164 453 1HG GLN 58 HG2 GLN 58 123.709 -22.357 8.586 454 2HG GLN 58 HG1 GLN 58 122.371 -21.611 7.722 455 1HE2 GLN 58 HE21 GLN 58 122.497 -19.963 9.319 456 2HE2 GLN 58 HE22 GLN 58 121.752 -20.190 10.863 457 H ILE 59 HN ILE 59 120.634 -24.135 5.427 458 HA ILE 59 HA ILE 59 120.287 -21.577 4.433 459 HB ILE 59 HB ILE 59 119.286 -24.129 3.180 460 1HG1 ILE 59 HG12 ILE 59 121.593 -24.451 3.649 461 2HG1 ILE 59 HG11 ILE 59 121.476 -24.089 1.936 462 1HG2 ILE 59 HG21 ILE 59 119.535 -22.972 1.027 463 2HG2 ILE 59 HG22 ILE 59 119.906 -21.479 1.904 464 3HG2 ILE 59 HG23 ILE 59 118.332 -22.237 2.089 465 1HD1 ILE 59 HD11 ILE 59 123.378 -23.044 3.003 466 2HD1 ILE 59 HD12 ILE 59 122.309 -22.174 4.100 467 3HD1 ILE 59 HD13 ILE 59 122.270 -21.825 2.361 468 H HIS 60 HN HIS 60 117.841 -24.006 5.143 469 HA HIS 60 HA HIS 60 115.544 -22.632 4.164 470 1HB HIS 60 HB2 HIS 60 115.654 -24.512 6.537 471 2HB HIS 60 HB1 HIS 60 114.195 -23.995 5.722 472 HD1 HIS 60 HD1 HIS 60 113.423 -25.435 3.777 473 HD2 HIS 60 HD2 HIS 60 117.298 -26.287 5.007 474 HE1 HIS 60 HE1 HIS 60 114.058 -27.548 2.613 475 HE2 HIS 60 HE2 HIS 60 116.488 -27.870 3.169 476 H LEU 61 HN LEU 61 116.902 -22.804 7.353 477 HA LEU 61 HA LEU 61 115.092 -21.213 8.787 478 1HB LEU 61 HB2 LEU 61 118.029 -21.453 9.315 479 2HB LEU 61 HB1 LEU 61 116.727 -21.273 10.475 480 HG LEU 61 HG LEU 61 117.155 -23.723 8.785 481 1HD1 LEU 61 HD11 LEU 61 118.116 -24.743 10.743 482 2HD1 LEU 61 HD12 LEU 61 117.926 -23.220 11.637 483 3HD1 LEU 61 HD13 LEU 61 119.007 -23.299 10.239 484 1HD2 LEU 61 HD21 LEU 61 115.638 -24.779 10.378 485 2HD2 LEU 61 HD22 LEU 61 114.865 -23.417 9.558 486 3HD2 LEU 61 HD23 LEU 61 115.440 -23.237 11.217 487 H LYS 62 HN LYS 62 118.326 -20.551 7.700 488 HA LYS 62 HA LYS 62 118.614 -17.860 8.278 489 1HB LYS 62 HB2 LYS 62 120.086 -19.882 7.124 490 2HB LYS 62 HB1 LYS 62 119.943 -18.711 5.832 491 1HG LYS 62 HG2 LYS 62 120.980 -18.076 8.577 492 2HG LYS 62 HG1 LYS 62 121.991 -18.548 7.219 493 1HD LYS 62 HD2 LYS 62 121.117 -16.564 5.981 494 2HD LYS 62 HD1 LYS 62 120.282 -16.079 7.464 495 1HE LYS 62 HE2 LYS 62 122.380 -15.989 8.656 496 2HE LYS 62 HE1 LYS 62 123.243 -16.573 7.240 497 1HZ LYS 62 HZ1 LYS 62 123.511 -14.274 7.500 498 2HZ LYS 62 HZ2 LYS 62 121.848 -13.973 7.534 499 3HZ LYS 62 HZ3 LYS 62 122.593 -14.491 6.091 500 H ALA 63 HN ALA 63 117.521 -19.358 5.195 501 HA ALA 63 HA ALA 63 117.313 -16.947 3.757 502 1HB ALA 63 HB1 ALA 63 117.385 -19.148 2.630 503 2HB ALA 63 HB2 ALA 63 115.974 -18.193 2.138 504 3HB ALA 63 HB3 ALA 63 115.791 -19.500 3.298 505 H LYS 64 HN LYS 64 114.857 -18.870 5.428 506 HA LYS 64 HA LYS 64 112.806 -17.076 4.717 507 1HB LYS 64 HB2 LYS 64 112.847 -19.081 6.937 508 2HB LYS 64 HB1 LYS 64 111.409 -18.218 6.396 509 1HG LYS 64 HG2 LYS 64 111.874 -19.183 4.094 510 2HG LYS 64 HG1 LYS 64 113.031 -20.249 4.895 511 1HD LYS 64 HD2 LYS 64 111.218 -21.010 6.380 512 2HD LYS 64 HD1 LYS 64 110.106 -19.999 5.443 513 1HE LYS 64 HE2 LYS 64 110.709 -21.276 3.423 514 2HE LYS 64 HE1 LYS 64 111.709 -22.331 4.424 515 1HZ LYS 64 HZ1 LYS 64 109.637 -23.421 4.202 516 2HZ LYS 64 HZ2 LYS 64 108.789 -21.998 4.438 517 3HZ LYS 64 HZ3 LYS 64 109.574 -22.713 5.751 518 H ALA 65 HN ALA 65 114.971 -17.138 7.406 519 HA ALA 65 HA ALA 65 113.697 -15.220 9.021 520 1HB ALA 65 HB1 ALA 65 115.912 -14.810 9.999 521 2HB ALA 65 HB2 ALA 65 116.667 -15.679 8.665 522 3HB ALA 65 HB3 ALA 65 115.622 -16.539 9.798 523 H ILE 66 HN ILE 66 116.179 -14.831 6.512 524 HA ILE 66 HA ILE 66 116.241 -12.009 6.471 525 HB ILE 66 HB ILE 66 116.856 -13.974 4.234 526 1HG1 ILE 66 HG12 ILE 66 118.686 -12.690 6.281 527 2HG1 ILE 66 HG11 ILE 66 118.200 -14.377 6.242 528 1HG2 ILE 66 HG21 ILE 66 116.533 -11.808 3.281 529 2HG2 ILE 66 HG22 ILE 66 118.260 -12.173 3.279 530 3HG2 ILE 66 HG23 ILE 66 117.594 -11.056 4.479 531 1HD1 ILE 66 HD11 ILE 66 120.407 -14.254 5.409 532 2HD1 ILE 66 HD12 ILE 66 120.021 -12.904 4.376 533 3HD1 ILE 66 HD13 ILE 66 119.383 -14.522 3.992 534 H TYR 67 HN TYR 67 114.460 -14.368 4.600 535 HA TYR 67 HA TYR 67 113.020 -12.793 2.820 536 1HB TYR 67 HB2 TYR 67 113.020 -15.208 2.704 537 2HB TYR 67 HB1 TYR 67 112.243 -15.312 4.280 538 HD1 TYR 67 HD1 TYR 67 111.715 -13.941 0.892 539 HD2 TYR 67 HD2 TYR 67 109.962 -15.525 4.403 540 HE1 TYR 67 HE1 TYR 67 109.554 -13.849 -0.187 541 HE2 TYR 67 HE2 TYR 67 107.760 -15.493 3.348 542 HH TYR 67 HH TYR 67 106.678 -14.186 1.557 543 H GLU 68 HN GLU 68 111.824 -13.928 6.014 544 HA GLU 68 HA GLU 68 109.499 -12.339 5.770 545 1HB GLU 68 HB2 GLU 68 110.613 -13.804 8.148 546 2HB GLU 68 HB1 GLU 68 109.039 -13.021 8.109 547 1HG GLU 68 HG2 GLU 68 108.394 -14.472 6.220 548 2HG GLU 68 HG1 GLU 68 109.947 -15.288 6.342 549 H LYS 69 HN LYS 69 112.588 -11.583 6.876 550 HA LYS 69 HA LYS 69 111.762 -9.382 8.569 551 1HB LYS 69 HB2 LYS 69 113.714 -10.725 9.134 552 2HB LYS 69 HB1 LYS 69 114.462 -10.319 7.606 553 1HG LYS 69 HG2 LYS 69 114.698 -8.019 8.300 554 2HG LYS 69 HG1 LYS 69 113.863 -8.369 9.825 555 1HD LYS 69 HD2 LYS 69 115.632 -9.982 10.394 556 2HD LYS 69 HD1 LYS 69 116.458 -9.598 8.884 557 1HE LYS 69 HE2 LYS 69 116.721 -7.276 9.639 558 2HE LYS 69 HE1 LYS 69 115.904 -7.684 11.147 559 1HZ LYS 69 HZ1 LYS 69 118.496 -8.824 10.213 560 2HZ LYS 69 HZ2 LYS 69 117.675 -9.272 11.611 561 3HZ LYS 69 HZ3 LYS 69 118.279 -7.715 11.472 562 H PHE 70 HN PHE 70 112.531 -9.893 5.218 563 HA PHE 70 HA PHE 70 112.855 -7.007 4.834 564 1HB PHE 70 HB2 PHE 70 114.710 -9.154 3.822 565 2HB PHE 70 HB1 PHE 70 114.677 -7.525 3.181 566 HD1 PHE 70 HD1 PHE 70 116.415 -9.629 5.223 567 HD2 PHE 70 HD2 PHE 70 114.792 -5.697 5.228 568 HE1 PHE 70 HE1 PHE 70 118.074 -8.951 6.904 569 HE2 PHE 70 HE2 PHE 70 116.445 -5.014 6.912 570 HZ PHE 70 HZ PHE 70 118.093 -6.638 7.749 571 H ILE 71 HN ILE 71 112.817 -10.053 3.063 572 HA ILE 71 HA ILE 71 111.951 -8.941 0.609 573 HB ILE 71 HB ILE 71 111.959 -11.814 1.563 574 1HG1 ILE 71 HG12 ILE 71 114.154 -10.785 1.617 575 2HG1 ILE 71 HG11 ILE 71 114.059 -11.995 0.340 576 1HG2 ILE 71 HG21 ILE 71 111.597 -10.701 -1.219 577 2HG2 ILE 71 HG22 ILE 71 110.556 -11.892 -0.329 578 3HG2 ILE 71 HG23 ILE 71 112.166 -12.314 -0.855 579 1HD1 ILE 71 HD11 ILE 71 113.856 -9.020 -0.019 580 2HD1 ILE 71 HD12 ILE 71 113.751 -10.212 -1.307 581 3HD1 ILE 71 HD13 ILE 71 115.250 -10.024 -0.398 582 H GLN 72 HN GLN 72 110.332 -10.218 3.335 583 HA GLN 72 HA GLN 72 107.841 -10.833 2.134 584 1HB GLN 72 HB2 GLN 72 108.651 -11.621 4.374 585 2HB GLN 72 HB1 GLN 72 108.355 -9.993 4.981 586 1HG GLN 72 HG2 GLN 72 106.525 -11.368 5.615 587 2HG GLN 72 HG1 GLN 72 106.022 -10.212 4.393 588 1HE2 GLN 72 HE21 GLN 72 104.859 -12.824 5.202 589 2HE2 GLN 72 HE22 GLN 72 104.806 -13.781 3.758 590 H THR 73 HN THR 73 105.956 -9.597 2.021 591 HA THR 73 HA THR 73 106.425 -6.798 1.692 592 HB THR 73 HB THR 73 103.750 -8.225 1.649 593 HG1 THR 73 HG1 THR 73 105.229 -9.188 0.195 594 1HG2 THR 73 HG21 THR 73 104.797 -5.700 0.407 595 2HG2 THR 73 HG22 THR 73 103.703 -5.827 1.786 596 3HG2 THR 73 HG23 THR 73 103.157 -6.344 0.177 597 H ASP 74 HN ASP 74 104.387 -8.736 3.822 598 HA ASP 74 HA ASP 74 104.215 -6.559 5.734 599 1HB ASP 74 HB2 ASP 74 102.330 -8.203 5.497 600 2HB ASP 74 HB1 ASP 74 103.403 -9.460 6.099 601 H ALA 75 HN ALA 75 106.409 -6.262 5.996 602 HA ALA 75 HA ALA 75 107.704 -8.315 7.636 603 1HB ALA 75 HB1 ALA 75 109.837 -7.500 6.685 604 2HB ALA 75 HB2 ALA 75 108.914 -6.580 5.484 605 3HB ALA 75 HB3 ALA 75 108.790 -8.356 5.535 606 HA PRO 76 HA PRO 76 108.306 -5.184 10.651 607 1HB PRO 76 HB2 PRO 76 110.911 -5.739 11.409 608 2HB PRO 76 HB1 PRO 76 109.483 -6.574 12.027 609 1HG PRO 76 HG2 PRO 76 111.400 -7.410 9.907 610 2HG PRO 76 HG1 PRO 76 110.584 -8.391 11.137 611 1HD PRO 76 HD2 PRO 76 109.797 -8.343 8.572 612 2HD PRO 76 HD1 PRO 76 108.633 -8.534 9.892 613 H LYS 77 HN LYS 77 110.682 -5.592 8.074 614 HA LYS 77 HA LYS 77 111.270 -2.740 8.478 615 1HB LYS 77 HB2 LYS 77 113.145 -4.502 9.000 616 2HB LYS 77 HB1 LYS 77 113.363 -4.461 7.256 617 1HG LYS 77 HG2 LYS 77 113.660 -2.050 7.329 618 2HG LYS 77 HG1 LYS 77 113.447 -2.077 9.080 619 1HD LYS 77 HD2 LYS 77 115.398 -3.660 9.157 620 2HD LYS 77 HD1 LYS 77 115.667 -3.266 7.458 621 1HE LYS 77 HE2 LYS 77 115.732 -1.387 9.810 622 2HE LYS 77 HE1 LYS 77 117.080 -1.872 8.787 623 1HZ LYS 77 HZ1 LYS 77 116.502 0.221 8.067 624 2HZ LYS 77 HZ2 LYS 77 114.837 -0.056 8.149 625 3HZ LYS 77 HZ3 LYS 77 115.717 -0.715 6.900 626 H GLU 78 HN GLU 78 111.104 -5.339 6.092 627 HA GLU 78 HA GLU 78 110.367 -5.393 3.956 628 1HB GLU 78 HB2 GLU 78 109.762 -2.443 4.299 629 2HB GLU 78 HB1 GLU 78 109.312 -3.396 2.898 630 1HG GLU 78 HG2 GLU 78 107.769 -4.669 4.164 631 2HG GLU 78 HG1 GLU 78 108.373 -4.000 5.683 632 H VAL 79 HN VAL 79 110.942 -4.393 1.697 633 HA VAL 79 HA VAL 79 113.526 -3.004 1.803 634 HB VAL 79 HB VAL 79 113.141 -5.539 0.119 635 1HG1 VAL 79 HG11 VAL 79 114.608 -3.923 -0.984 636 2HG1 VAL 79 HG12 VAL 79 115.522 -5.328 -0.435 637 3HG1 VAL 79 HG13 VAL 79 115.601 -3.816 0.470 638 1HG2 VAL 79 HG21 VAL 79 114.849 -6.559 1.516 639 2HG2 VAL 79 HG22 VAL 79 113.454 -6.065 2.469 640 3HG2 VAL 79 HG23 VAL 79 114.925 -5.093 2.490 641 H ASN 80 HN ASN 80 114.040 -1.907 -0.094 642 HA ASN 80 HA ASN 80 111.807 -0.953 -1.694 643 1HB ASN 80 HB2 ASN 80 114.753 -0.263 -1.854 644 2HB ASN 80 HB1 ASN 80 113.400 0.698 -2.434 645 1HD2 ASN 80 HD21 ASN 80 112.230 1.900 -0.979 646 2HD2 ASN 80 HD22 ASN 80 112.736 2.162 0.652 647 H LEU 81 HN LEU 81 112.584 -3.636 -2.026 648 HA LEU 81 HA LEU 81 114.400 -4.021 -4.229 649 1HB LEU 81 HB2 LEU 81 114.460 -5.560 -2.581 650 2HB LEU 81 HB1 LEU 81 112.705 -5.861 -2.531 651 HG LEU 81 HG LEU 81 113.225 -6.856 -4.914 652 1HD1 LEU 81 HD11 LEU 81 115.434 -5.904 -5.069 653 2HD1 LEU 81 HD12 LEU 81 115.466 -7.672 -5.126 654 3HD1 LEU 81 HD13 LEU 81 115.936 -6.841 -3.658 655 1HD2 LEU 81 HD21 LEU 81 113.803 -9.009 -3.900 656 2HD2 LEU 81 HD22 LEU 81 112.547 -8.219 -2.962 657 3HD2 LEU 81 HD23 LEU 81 114.203 -8.218 -2.385 658 H ASP 82 HN ASP 82 113.906 -4.670 -6.251 659 HA ASP 82 HA ASP 82 111.747 -3.849 -7.684 660 1HB ASP 82 HB2 ASP 82 113.690 -4.590 -8.823 661 2HB ASP 82 HB1 ASP 82 113.583 -6.194 -8.111 662 H PHE 83 HN PHE 83 109.763 -4.466 -8.034 663 HA PHE 83 HA PHE 83 108.382 -6.118 -6.322 664 1HB PHE 83 HB2 PHE 83 107.621 -5.027 -8.994 665 2HB PHE 83 HB1 PHE 83 106.539 -6.085 -8.096 666 HD1 PHE 83 HD1 PHE 83 106.094 -5.452 -5.707 667 HD2 PHE 83 HD2 PHE 83 107.579 -2.767 -8.599 668 HE1 PHE 83 HE1 PHE 83 105.260 -3.546 -4.338 669 HE2 PHE 83 HE2 PHE 83 106.775 -0.844 -7.269 670 HZ PHE 83 HZ PHE 83 105.613 -1.240 -5.132 671 H HIS 84 HN HIS 84 109.496 -6.992 -9.570 672 HA HIS 84 HA HIS 84 108.104 -9.427 -9.305 673 1HB HIS 84 HB2 HIS 84 108.343 -8.595 -11.552 674 2HB HIS 84 HB1 HIS 84 110.093 -8.554 -11.412 675 HD1 HIS 84 HD1 HIS 84 107.363 -11.325 -11.277 676 HD2 HIS 84 HD2 HIS 84 111.245 -10.648 -12.654 677 HE1 HIS 84 HE1 HIS 84 108.021 -13.380 -12.471 678 HE2 HIS 84 HE2 HIS 84 110.443 -13.071 -13.023 679 H THR 85 HN THR 85 111.325 -8.370 -8.703 680 HA THR 85 HA THR 85 112.576 -10.850 -8.379 681 HB THR 85 HB THR 85 113.126 -8.218 -7.006 682 HG1 THR 85 HG1 THR 85 113.199 -8.004 -9.219 683 1HG2 THR 85 HG21 THR 85 114.326 -10.038 -5.864 684 2HG2 THR 85 HG22 THR 85 115.451 -9.119 -6.844 685 3HG2 THR 85 HG23 THR 85 114.852 -10.667 -7.424 686 H LYS 86 HN LYS 86 111.011 -8.702 -5.983 687 HA LYS 86 HA LYS 86 111.367 -10.515 -3.845 688 1HB LYS 86 HB2 LYS 86 109.835 -9.102 -2.545 689 2HB LYS 86 HB1 LYS 86 110.942 -8.104 -3.464 690 1HG LYS 86 HG2 LYS 86 109.067 -6.936 -3.902 691 2HG LYS 86 HG1 LYS 86 108.853 -8.152 -5.162 692 1HD LYS 86 HD2 LYS 86 106.773 -7.991 -4.019 693 2HD LYS 86 HD1 LYS 86 107.527 -9.491 -3.470 694 1HE LYS 86 HE2 LYS 86 106.623 -8.365 -1.548 695 2HE LYS 86 HE1 LYS 86 108.381 -8.248 -1.474 696 1HZ LYS 86 HZ1 LYS 86 106.494 -6.140 -2.364 697 2HZ LYS 86 HZ2 LYS 86 108.154 -5.952 -2.446 698 3HZ LYS 86 HZ3 LYS 86 107.396 -6.078 -0.954 699 H GLU 87 HN GLU 87 108.930 -10.168 -6.249 700 HA GLU 87 HA GLU 87 106.927 -11.877 -5.298 701 1HB GLU 87 HB2 GLU 87 106.572 -10.433 -7.185 702 2HB GLU 87 HB1 GLU 87 107.860 -11.213 -8.081 703 1HG GLU 87 HG2 GLU 87 106.559 -13.226 -8.245 704 2HG GLU 87 HG1 GLU 87 105.242 -12.486 -7.313 705 H VAL 88 HN VAL 88 109.692 -12.583 -7.434 706 HA VAL 88 HA VAL 88 109.185 -15.312 -7.644 707 HB VAL 88 HB VAL 88 111.860 -13.884 -7.869 708 1HG1 VAL 88 HG11 VAL 88 112.581 -15.862 -9.150 709 2HG1 VAL 88 HG12 VAL 88 111.032 -16.637 -8.798 710 3HG1 VAL 88 HG13 VAL 88 112.159 -16.290 -7.488 711 1HG2 VAL 88 HG21 VAL 88 111.434 -13.979 -10.278 712 2HG2 VAL 88 HG22 VAL 88 110.147 -13.101 -9.438 713 3HG2 VAL 88 HG23 VAL 88 109.879 -14.752 -9.968 714 H ILE 89 HN ILE 89 111.077 -13.516 -5.276 715 HA ILE 89 HA ILE 89 112.090 -15.794 -3.938 716 HB ILE 89 HB ILE 89 111.515 -13.122 -2.634 717 1HG1 ILE 89 HG12 ILE 89 114.036 -13.983 -4.066 718 2HG1 ILE 89 HG11 ILE 89 112.824 -12.906 -4.755 719 1HG2 ILE 89 HG21 ILE 89 113.432 -13.764 -1.194 720 2HG2 ILE 89 HG22 ILE 89 113.509 -15.327 -2.011 721 3HG2 ILE 89 HG23 ILE 89 112.089 -14.892 -1.056 722 1HD1 ILE 89 HD11 ILE 89 114.581 -12.412 -2.376 723 2HD1 ILE 89 HD12 ILE 89 113.196 -11.430 -2.779 724 3HD1 ILE 89 HD13 ILE 89 114.554 -11.536 -3.923 725 H THR 90 HN THR 90 109.136 -13.847 -3.429 726 HA THR 90 HA THR 90 108.271 -15.237 -1.149 727 HB THR 90 HB THR 90 105.978 -14.380 -1.625 728 HG1 THR 90 HG1 THR 90 107.021 -14.051 -4.168 729 1HG2 THR 90 HG21 THR 90 108.143 -12.327 -2.076 730 2HG2 THR 90 HG22 THR 90 107.561 -12.898 -0.509 731 3HG2 THR 90 HG23 THR 90 106.488 -11.982 -1.573 732 H ASN 91 HN ASN 91 108.289 -16.169 -4.432 733 HA ASN 91 HA ASN 91 106.419 -18.386 -3.976 734 1HB ASN 91 HB2 ASN 91 107.668 -17.349 -6.522 735 2HB ASN 91 HB1 ASN 91 106.541 -18.694 -6.422 736 1HD2 ASN 91 HD21 ASN 91 106.382 -16.123 -7.804 737 2HD2 ASN 91 HD22 ASN 91 104.926 -15.387 -7.242 738 H SER 92 HN SER 92 109.728 -17.805 -3.826 739 HA SER 92 HA SER 92 110.307 -20.606 -4.541 740 1HB SER 92 HB2 SER 92 112.188 -18.269 -4.815 741 2HB SER 92 HB1 SER 92 112.460 -19.927 -5.357 742 HG SER 92 HG SER 92 110.698 -17.982 -6.316 743 H ILE 93 HN ILE 93 109.982 -18.745 -1.899 744 HA ILE 93 HA ILE 93 112.491 -19.308 -0.586 745 HB ILE 93 HB ILE 93 111.050 -17.258 -0.078 746 1HG1 ILE 93 HG12 ILE 93 111.407 -17.368 2.407 747 2HG1 ILE 93 HG11 ILE 93 111.850 -19.062 2.214 748 1HG2 ILE 93 HG21 ILE 93 108.921 -18.465 -0.048 749 2HG2 ILE 93 HG22 ILE 93 109.152 -17.479 1.407 750 3HG2 ILE 93 HG23 ILE 93 109.385 -19.234 1.463 751 1HD1 ILE 93 HD11 ILE 93 113.695 -18.318 0.694 752 2HD1 ILE 93 HD12 ILE 93 113.850 -17.804 2.358 753 3HD1 ILE 93 HD13 ILE 93 113.302 -16.646 1.140 754 H THR 94 HN THR 94 109.491 -20.769 -1.034 755 HA THR 94 HA THR 94 109.330 -22.685 0.963 756 HB THR 94 HB THR 94 107.543 -22.365 -0.667 757 HG1 THR 94 HG1 THR 94 107.704 -24.411 0.333 758 1HG2 THR 94 HG21 THR 94 108.870 -21.917 -2.667 759 2HG2 THR 94 HG22 THR 94 107.710 -23.209 -2.981 760 3HG2 THR 94 HG23 THR 94 109.410 -23.595 -2.705 761 H GLN 95 HN GLN 95 111.543 -22.517 -1.735 762 HA GLN 95 HA GLN 95 112.989 -24.782 -0.697 763 1HB GLN 95 HB2 GLN 95 112.149 -24.454 -3.576 764 2HB GLN 95 HB1 GLN 95 113.578 -25.371 -3.135 765 1HG GLN 95 HG2 GLN 95 110.776 -25.943 -2.219 766 2HG GLN 95 HG1 GLN 95 111.628 -26.785 -3.511 767 1HE2 GLN 95 HE21 GLN 95 114.214 -26.740 -2.055 768 2HE2 GLN 95 HE22 GLN 95 114.074 -27.888 -0.805 769 HA PRO 96 HA PRO 96 115.615 -21.127 -1.402 770 1HB PRO 96 HB2 PRO 96 116.802 -21.097 0.967 771 2HB PRO 96 HB1 PRO 96 115.158 -20.476 0.783 772 1HG PRO 96 HG2 PRO 96 116.060 -23.130 1.811 773 2HG PRO 96 HG1 PRO 96 114.830 -22.041 2.479 774 1HD PRO 96 HD2 PRO 96 114.152 -24.191 0.894 775 2HD PRO 96 HD1 PRO 96 113.229 -22.686 0.959 776 H THR 97 HN THR 97 117.746 -20.947 -1.612 777 HA THR 97 HA THR 97 119.431 -23.262 -1.312 778 HB THR 97 HB THR 97 119.551 -21.899 -3.981 779 HG1 THR 97 HG1 THR 97 117.902 -24.042 -4.147 780 1HG2 THR 97 HG21 THR 97 120.109 -24.164 -4.679 781 2HG2 THR 97 HG22 THR 97 119.716 -24.739 -3.053 782 3HG2 THR 97 HG23 THR 97 121.096 -23.659 -3.298 783 H LEU 98 HN LEU 98 121.715 -22.201 -2.435 784 HA LEU 98 HA LEU 98 122.441 -20.322 -0.531 785 1HB LEU 98 HB2 LEU 98 123.875 -21.114 -3.052 786 2HB LEU 98 HB1 LEU 98 124.553 -20.005 -1.883 787 HG LEU 98 HG LEU 98 125.548 -22.077 -1.460 788 1HD1 LEU 98 HD11 LEU 98 123.365 -21.691 0.548 789 2HD1 LEU 98 HD12 LEU 98 124.968 -20.944 0.555 790 3HD1 LEU 98 HD13 LEU 98 124.795 -22.686 0.783 791 1HD2 LEU 98 HD21 LEU 98 124.318 -24.163 -1.045 792 2HD2 LEU 98 HD22 LEU 98 124.039 -23.547 -2.674 793 3HD2 LEU 98 HD23 LEU 98 122.808 -23.338 -1.429 794 H HIS 99 HN HIS 99 121.096 -19.652 -3.684 795 HA HIS 99 HA HIS 99 121.235 -16.887 -2.853 796 1HB HIS 99 HB2 HIS 99 121.965 -17.818 -5.635 797 2HB HIS 99 HB1 HIS 99 121.431 -16.174 -5.321 798 HD1 HIS 99 HD1 HIS 99 123.278 -14.519 -4.621 799 HD2 HIS 99 HD2 HIS 99 124.411 -18.513 -4.254 800 HE1 HIS 99 HE1 HIS 99 125.616 -14.478 -3.785 801 HE2 HIS 99 HE2 HIS 99 126.358 -16.922 -4.013 802 H SER 100 HN SER 100 119.128 -17.849 -2.073 803 HA SER 100 HA SER 100 117.030 -17.822 -4.012 804 1HB SER 100 HB2 SER 100 116.925 -17.678 -0.984 805 2HB SER 100 HB1 SER 100 115.543 -17.958 -2.049 806 HG SER 100 HG SER 100 117.053 -19.649 -2.931 807 H PHE 101 HN PHE 101 118.889 -15.522 -2.745 808 HA PHE 101 HA PHE 101 116.946 -13.365 -3.272 809 1HB PHE 101 HB2 PHE 101 119.436 -13.161 -1.545 810 2HB PHE 101 HB1 PHE 101 118.105 -12.017 -1.653 811 HD1 PHE 101 HD1 PHE 101 115.833 -12.742 -0.705 812 HD2 PHE 101 HD2 PHE 101 119.460 -14.837 0.075 813 HE1 PHE 101 HE1 PHE 101 114.806 -13.831 1.273 814 HE2 PHE 101 HE2 PHE 101 118.428 -15.902 2.024 815 HZ PHE 101 HZ PHE 101 116.107 -15.398 2.612 816 H ASP 102 HN ASP 102 118.644 -14.994 -5.041 817 HA ASP 102 HA ASP 102 121.105 -13.930 -5.720 818 1HB ASP 102 HB2 ASP 102 120.345 -16.017 -6.659 819 2HB ASP 102 HB1 ASP 102 119.062 -15.192 -7.540 820 H ALA 103 HN ALA 103 118.006 -13.134 -7.165 821 HA ALA 103 HA ALA 103 119.162 -11.183 -8.911 822 1HB ALA 103 HB1 ALA 103 117.162 -12.449 -9.551 823 2HB ALA 103 HB2 ALA 103 116.851 -10.712 -9.556 824 3HB ALA 103 HB3 ALA 103 116.272 -11.709 -8.219 825 H ALA 104 HN ALA 104 117.535 -11.259 -5.877 826 HA ALA 104 HA ALA 104 116.990 -8.523 -5.629 827 1HB ALA 104 HB1 ALA 104 115.859 -10.194 -4.378 828 2HB ALA 104 HB2 ALA 104 116.551 -8.968 -3.318 829 3HB ALA 104 HB3 ALA 104 117.318 -10.575 -3.438 830 H GLN 105 HN GLN 105 119.812 -10.395 -4.776 831 HA GLN 105 HA GLN 105 121.190 -8.397 -3.376 832 1HB GLN 105 HB2 GLN 105 121.933 -10.700 -3.293 833 2HB GLN 105 HB1 GLN 105 122.199 -10.724 -5.027 834 1HG GLN 105 HG2 GLN 105 124.071 -9.267 -4.830 835 2HG GLN 105 HG1 GLN 105 123.722 -8.960 -3.130 836 1HE2 GLN 105 HE21 GLN 105 125.777 -9.637 -2.542 837 2HE2 GLN 105 HE22 GLN 105 126.216 -11.308 -2.553 838 H SER 106 HN SER 106 121.076 -9.185 -6.815 839 HA SER 106 HA SER 106 122.831 -7.132 -7.605 840 1HB SER 106 HB2 SER 106 120.701 -8.578 -9.201 841 2HB SER 106 HB1 SER 106 122.074 -7.683 -9.863 842 HG SER 106 HG SER 106 122.095 -10.177 -9.377 843 H ARG 107 HN ARG 107 119.347 -7.334 -7.170 844 HA ARG 107 HA ARG 107 118.618 -4.845 -8.319 845 1HB ARG 107 HB2 ARG 107 117.240 -6.289 -6.073 846 2HB ARG 107 HB1 ARG 107 116.588 -4.926 -6.961 847 1HG ARG 107 HG2 ARG 107 117.085 -7.719 -7.926 848 2HG ARG 107 HG1 ARG 107 115.555 -6.859 -7.774 849 1HD ARG 107 HD2 ARG 107 117.784 -6.248 -9.710 850 2HD ARG 107 HD1 ARG 107 116.251 -7.010 -10.101 851 HE ARG 107 HE ARG 107 115.613 -4.552 -9.000 852 1HH1 ARG 107 HH11 ARG 107 117.519 -5.710 -11.732 853 2HH1 ARG 107 HH12 ARG 107 117.240 -4.364 -12.719 854 1HH2 ARG 107 HH21 ARG 107 115.108 -2.686 -10.391 855 2HH2 ARG 107 HH22 ARG 107 115.851 -2.604 -11.932 856 H VAL 108 HN VAL 108 119.201 -5.628 -4.923 857 HA VAL 108 HA VAL 108 118.847 -2.961 -4.109 858 HB VAL 108 HB VAL 108 120.251 -5.245 -2.692 859 1HG1 VAL 108 HG11 VAL 108 121.056 -3.080 -1.831 860 2HG1 VAL 108 HG12 VAL 108 120.029 -3.908 -0.658 861 3HG1 VAL 108 HG13 VAL 108 119.383 -2.566 -1.605 862 1HG2 VAL 108 HG21 VAL 108 117.888 -5.590 -3.124 863 2HG2 VAL 108 HG22 VAL 108 117.517 -4.023 -2.408 864 3HG2 VAL 108 HG23 VAL 108 118.169 -5.321 -1.402 865 H TYR 109 HN TYR 109 121.661 -4.659 -5.218 866 HA TYR 109 HA TYR 109 123.613 -2.786 -4.532 867 1HB TYR 109 HB2 TYR 109 124.309 -4.903 -5.305 868 2HB TYR 109 HB1 TYR 109 123.370 -4.773 -6.776 869 HD1 TYR 109 HD1 TYR 109 126.525 -3.966 -5.119 870 HD2 TYR 109 HD2 TYR 109 124.211 -3.383 -8.641 871 HE1 TYR 109 HE1 TYR 109 128.527 -3.199 -6.312 872 HE2 TYR 109 HE2 TYR 109 126.157 -2.617 -9.834 873 HH TYR 109 HH TYR 109 129.207 -3.199 -8.751 874 H GLN 110 HN GLN 110 121.758 -3.055 -7.596 875 HA GLN 110 HA GLN 110 122.856 -0.669 -8.694 876 1HB GLN 110 HB2 GLN 110 121.205 -0.923 -10.483 877 2HB GLN 110 HB1 GLN 110 121.926 -2.476 -10.114 878 1HG GLN 110 HG2 GLN 110 119.682 -3.096 -10.308 879 2HG GLN 110 HG1 GLN 110 119.856 -2.706 -8.579 880 1HE2 GLN 110 HE21 GLN 110 119.778 -0.152 -10.884 881 2HE2 GLN 110 HE22 GLN 110 118.244 0.480 -10.424 882 H LEU 111 HN LEU 111 120.091 -1.432 -6.823 883 HA LEU 111 HA LEU 111 118.571 0.868 -6.976 884 1HB LEU 111 HB2 LEU 111 117.856 -1.251 -6.058 885 2HB LEU 111 HB1 LEU 111 119.019 -1.109 -4.763 886 HG LEU 111 HG LEU 111 117.831 0.861 -4.015 887 1HD1 LEU 111 HD11 LEU 111 115.464 1.160 -4.765 888 2HD1 LEU 111 HD12 LEU 111 115.748 -0.056 -6.012 889 3HD1 LEU 111 HD13 LEU 111 116.636 1.466 -6.048 890 1HD2 LEU 111 HD21 LEU 111 116.018 -0.434 -2.936 891 2HD2 LEU 111 HD22 LEU 111 117.568 -1.284 -2.935 892 3HD2 LEU 111 HD23 LEU 111 116.317 -1.738 -4.083 893 H MET 112 HN MET 112 121.018 -0.081 -4.561 894 HA MET 112 HA MET 112 121.004 2.388 -3.200 895 1HB MET 112 HB2 MET 112 123.087 0.240 -3.336 896 2HB MET 112 HB1 MET 112 123.307 1.706 -2.402 897 1HG MET 112 HG2 MET 112 121.333 1.158 -1.091 898 2HG MET 112 HG1 MET 112 121.146 -0.338 -2.020 899 1HE MET 112 HE1 MET 112 124.120 -1.133 -2.503 900 2HE MET 112 HE2 MET 112 122.907 -2.308 -1.979 901 3HE MET 112 HE3 MET 112 124.456 -2.196 -1.142 902 H GLU 113 HN GLU 113 122.837 1.228 -5.924 903 HA GLU 113 HA GLU 113 124.724 3.259 -6.070 904 1HB GLU 113 HB2 GLU 113 124.720 1.131 -7.388 905 2HB GLU 113 HB1 GLU 113 123.382 1.762 -8.326 906 1HG GLU 113 HG2 GLU 113 126.072 3.110 -8.258 907 2HG GLU 113 HG1 GLU 113 125.698 1.807 -9.379 908 H GLN 114 HN GLN 114 121.723 3.057 -7.967 909 HA GLN 114 HA GLN 114 121.962 5.689 -8.922 910 1HB GLN 114 HB2 GLN 114 119.664 5.427 -9.748 911 2HB GLN 114 HB1 GLN 114 120.715 4.084 -10.172 912 1HG GLN 114 HG2 GLN 114 119.748 2.704 -8.503 913 2HG GLN 114 HG1 GLN 114 118.811 4.047 -7.851 914 1HE2 GLN 114 HE21 GLN 114 118.167 5.063 -10.552 915 2HE2 GLN 114 HE22 GLN 114 116.955 3.988 -11.131 916 H ASP 115 HN ASP 115 120.333 4.434 -6.088 917 HA ASP 115 HA ASP 115 118.911 6.938 -5.679 918 1HB ASP 115 HB2 ASP 115 117.839 4.744 -5.199 919 2HB ASP 115 HB1 ASP 115 119.003 4.492 -3.907 920 H SER 116 HN SER 116 121.127 4.988 -3.695 921 HA SER 116 HA SER 116 121.502 7.227 -1.934 922 1HB SER 116 HB2 SER 116 122.566 4.413 -1.781 923 2HB SER 116 HB1 SER 116 122.657 5.633 -0.506 924 HG SER 116 HG SER 116 120.317 5.751 -0.833 925 H TYR 117 HN TYR 117 123.494 5.409 -4.278 926 HA TYR 117 HA TYR 117 125.953 6.369 -3.277 927 1HB TYR 117 HB2 TYR 117 125.956 4.335 -4.454 928 2HB TYR 117 HB1 TYR 117 125.135 5.066 -5.850 929 HD1 TYR 117 HD1 TYR 117 126.406 5.226 -7.705 930 HD2 TYR 117 HD2 TYR 117 128.320 5.607 -3.933 931 HE1 TYR 117 HE1 TYR 117 128.572 5.477 -8.836 932 HE2 TYR 117 HE2 TYR 117 130.489 5.862 -5.069 933 HH TYR 117 HH TYR 117 131.521 5.464 -7.052 934 H THR 118 HN THR 118 123.847 7.487 -5.801 935 HA THR 118 HA THR 118 125.536 9.515 -6.776 936 HB THR 118 HB THR 118 123.363 10.537 -7.599 937 HG1 THR 118 HG1 THR 118 121.829 8.357 -7.064 938 1HG2 THR 118 HG21 THR 118 122.882 8.684 -9.144 939 2HG2 THR 118 HG22 THR 118 123.787 7.588 -8.099 940 3HG2 THR 118 HG23 THR 118 124.620 8.902 -8.929 941 H ARG 119 HN ARG 119 123.046 9.526 -4.294 942 HA ARG 119 HA ARG 119 123.345 12.253 -3.567 943 1HB ARG 119 HB2 ARG 119 122.173 9.927 -2.040 944 2HB ARG 119 HB1 ARG 119 122.077 11.600 -1.512 945 1HG ARG 119 HG2 ARG 119 120.793 12.176 -3.495 946 2HG ARG 119 HG1 ARG 119 120.923 10.514 -4.077 947 1HD ARG 119 HD2 ARG 119 118.757 10.932 -3.019 948 2HD ARG 119 HD1 ARG 119 119.690 9.723 -2.133 949 HE ARG 119 HE ARG 119 119.429 12.545 -1.311 950 1HH1 ARG 119 HH11 ARG 119 119.579 9.080 -0.488 951 2HH1 ARG 119 HH12 ARG 119 119.676 9.365 1.167 952 1HH2 ARG 119 HH21 ARG 119 119.478 12.886 0.985 953 2HH2 ARG 119 HH22 ARG 119 119.596 11.550 2.041 954 H PHE 120 HN PHE 120 124.740 9.267 -2.417 955 HA PHE 120 HA PHE 120 126.263 10.154 -0.287 956 1HB PHE 120 HB2 PHE 120 126.103 7.802 -0.683 957 2HB PHE 120 HB1 PHE 120 126.697 7.963 -2.323 958 HD1 PHE 120 HD1 PHE 120 127.724 8.160 1.250 959 HD2 PHE 120 HD2 PHE 120 128.970 7.736 -2.800 960 HE1 PHE 120 HE1 PHE 120 130.023 7.556 1.999 961 HE2 PHE 120 HE2 PHE 120 131.229 7.149 -2.050 962 HZ PHE 120 HZ PHE 120 131.745 7.058 0.349 963 H LEU 121 HN LEU 121 127.129 9.965 -3.727 964 HA LEU 121 HA LEU 121 129.673 11.050 -3.579 965 1HB LEU 121 HB2 LEU 121 127.641 11.268 -5.787 966 2HB LEU 121 HB1 LEU 121 129.318 11.742 -5.954 967 HG LEU 121 HG LEU 121 128.325 8.947 -5.401 968 1HD1 LEU 121 HD11 LEU 121 127.818 9.720 -7.650 969 2HD1 LEU 121 HD12 LEU 121 129.073 8.479 -7.679 970 3HD1 LEU 121 HD13 LEU 121 129.501 10.187 -7.880 971 1HD2 LEU 121 HD21 LEU 121 130.652 8.283 -5.747 972 2HD2 LEU 121 HD22 LEU 121 130.518 9.414 -4.392 973 3HD2 LEU 121 HD23 LEU 121 131.109 9.975 -5.947 974 H LYS 122 HN LYS 122 126.583 12.675 -3.568 975 HA LYS 122 HA LYS 122 127.967 15.261 -3.644 976 1HB LYS 122 HB2 LYS 122 124.998 14.735 -3.655 977 2HB LYS 122 HB1 LYS 122 125.789 16.276 -3.928 978 1HG LYS 122 HG2 LYS 122 125.850 13.854 -5.722 979 2HG LYS 122 HG1 LYS 122 125.024 15.379 -6.016 980 1HD LYS 122 HD2 LYS 122 128.011 14.957 -5.858 981 2HD LYS 122 HD1 LYS 122 127.078 15.228 -7.328 982 1HE LYS 122 HE2 LYS 122 127.498 17.153 -5.049 983 2HE LYS 122 HE1 LYS 122 128.246 17.224 -6.640 984 1HZ LYS 122 HZ1 LYS 122 125.949 17.515 -7.565 985 2HZ LYS 122 HZ2 LYS 122 126.474 18.784 -6.603 986 3HZ LYS 122 HZ3 LYS 122 125.363 17.685 -5.988 987 H SER 123 HN SER 123 127.195 13.146 -1.191 988 HA SER 123 HA SER 123 125.960 15.054 0.571 989 1HB SER 123 HB2 SER 123 126.090 13.288 2.233 990 2HB SER 123 HB1 SER 123 125.498 12.614 0.711 991 HG SER 123 HG SER 123 127.617 11.845 0.307 992 H ASP 124 HN ASP 124 126.945 15.684 2.612 993 HA ASP 124 HA ASP 124 129.564 16.691 2.332 994 1HB ASP 124 HB2 ASP 124 127.625 16.551 4.584 995 2HB ASP 124 HB1 ASP 124 129.318 16.826 4.982 996 H ILE 125 HN ILE 125 128.313 13.750 3.398 997 HA ILE 125 HA ILE 125 130.402 12.605 4.815 998 HB ILE 125 HB ILE 125 128.286 11.553 2.978 999 1HG1 ILE 125 HG12 ILE 125 127.551 12.250 5.165 1000 2HG1 ILE 125 HG11 ILE 125 127.379 10.508 5.005 1001 1HG2 ILE 125 HG21 ILE 125 129.967 10.094 2.501 1002 2HG2 ILE 125 HG22 ILE 125 128.812 9.235 3.523 1003 3HG2 ILE 125 HG23 ILE 125 130.370 9.774 4.195 1004 1HD1 ILE 125 HD11 ILE 125 129.589 11.939 6.461 1005 2HD1 ILE 125 HD12 ILE 125 129.421 10.192 6.304 1006 3HD1 ILE 125 HD13 ILE 125 128.214 11.118 7.198 1007 H TYR 126 HN TYR 126 129.754 12.183 1.322 1008 HA TYR 126 HA TYR 126 132.372 11.131 0.932 1009 1HB TYR 126 HB2 TYR 126 130.510 10.368 -0.460 1010 2HB TYR 126 HB1 TYR 126 130.374 11.973 -1.163 1011 HD1 TYR 126 HD1 TYR 126 131.442 12.376 -3.182 1012 HD2 TYR 126 HD2 TYR 126 132.874 9.265 -0.672 1013 HE1 TYR 126 HE1 TYR 126 133.075 11.751 -4.897 1014 HE2 TYR 126 HE2 TYR 126 134.490 8.609 -2.361 1015 HH TYR 126 HH TYR 126 135.066 8.891 -4.511 1016 H LEU 127 HN LEU 127 130.940 14.294 0.430 1017 HA LEU 127 HA LEU 127 133.099 15.382 -1.008 1018 1HB LEU 127 HB2 LEU 127 131.227 16.837 0.872 1019 2HB LEU 127 HB1 LEU 127 132.252 17.589 -0.330 1020 HG LEU 127 HG LEU 127 129.874 15.812 -0.848 1021 1HD1 LEU 127 HD11 LEU 127 130.302 18.743 -1.338 1022 2HD1 LEU 127 HD12 LEU 127 129.249 18.011 -0.126 1023 3HD1 LEU 127 HD13 LEU 127 128.894 17.808 -1.841 1024 1HD2 LEU 127 HD21 LEU 127 130.199 16.268 -3.218 1025 2HD2 LEU 127 HD22 LEU 127 131.599 15.429 -2.550 1026 3HD2 LEU 127 HD23 LEU 127 131.678 17.166 -2.863 1027 H ASP 128 HN ASP 128 132.622 14.815 2.399 1028 HA ASP 128 HA ASP 128 134.876 16.305 3.298 1029 1HB ASP 128 HB2 ASP 128 133.106 15.716 4.858 1030 2HB ASP 128 HB1 ASP 128 133.396 14.003 4.585 1031 H LEU 129 HN LEU 129 134.363 12.974 2.242 1032 HA LEU 129 HA LEU 129 136.996 12.029 2.853 1033 1HB LEU 129 HB2 LEU 129 135.438 10.917 0.478 1034 2HB LEU 129 HB1 LEU 129 136.577 10.193 1.522 1035 HG LEU 129 HG LEU 129 133.933 10.994 2.660 1036 1HD1 LEU 129 HD11 LEU 129 133.478 9.537 0.800 1037 2HD1 LEU 129 HD12 LEU 129 133.279 8.640 2.312 1038 3HD1 LEU 129 HD13 LEU 129 134.733 8.428 1.331 1039 1HD2 LEU 129 HD21 LEU 129 134.508 9.238 4.270 1040 2HD2 LEU 129 HD22 LEU 129 135.713 10.529 4.249 1041 3HD2 LEU 129 HD23 LEU 129 136.046 8.991 3.448 1042 H MET 130 HN MET 130 135.559 13.798 0.277 1043 HA MET 130 HA MET 130 137.717 13.621 -1.551 1044 1HB MET 130 HB2 MET 130 135.497 15.661 -1.356 1045 2HB MET 130 HB1 MET 130 136.662 15.594 -2.659 1046 1HG MET 130 HG2 MET 130 134.685 13.402 -2.004 1047 2HG MET 130 HG1 MET 130 134.453 14.647 -3.218 1048 1HE MET 130 HE1 MET 130 137.533 11.187 -3.497 1049 2HE MET 130 HE2 MET 130 136.236 11.258 -2.305 1050 3HE MET 130 HE3 MET 130 137.582 12.395 -2.215 1051 H GLU 131 HN GLU 131 136.555 16.523 0.123 1052 HA GLU 131 HA GLU 131 137.606 18.437 0.727 1053 1HB GLU 131 HB2 GLU 131 138.105 16.816 2.605 1054 2HB GLU 131 HB1 GLU 131 139.654 16.493 1.844 1055 1HG GLU 131 HG2 GLU 131 140.249 18.868 2.130 1056 2HG GLU 131 HG1 GLU 131 138.720 19.122 2.964 1057 H GLY 132 HN GLY 132 137.964 18.350 -1.771 1058 1HA GLY 132 HA2 GLY 132 140.334 17.615 -2.986 1059 2HA GLY 132 HA1 GLY 132 139.228 18.836 -3.590 1060 H ARG 133 HN ARG 133 139.371 20.809 -2.058 1061 HA ARG 133 HA ARG 133 140.463 22.777 -1.822 1062 1HB ARG 133 HB2 ARG 133 141.058 21.719 0.309 1063 2HB ARG 133 HB1 ARG 133 142.497 21.022 -0.422 1064 1HG ARG 133 HG2 ARG 133 143.061 22.977 0.916 1065 2HG ARG 133 HG1 ARG 133 143.403 23.271 -0.793 1066 1HD ARG 133 HD2 ARG 133 141.189 24.415 -0.958 1067 2HD ARG 133 HD1 ARG 133 141.026 24.243 0.788 1068 HE ARG 133 HE ARG 133 143.329 25.484 0.671 1069 1HH1 ARG 133 HH11 ARG 133 140.258 26.179 -0.951 1070 2HH1 ARG 133 HH12 ARG 133 140.605 27.816 -1.247 1071 1HH2 ARG 133 HH21 ARG 133 143.827 27.803 0.221 1072 2HH2 ARG 133 HH22 ARG 133 142.646 28.741 -0.581 1073 HA PRO 134 HA PRO 134 143.107 22.697 -5.523 1074 1HB PRO 134 HB2 PRO 134 142.237 25.534 -5.482 1075 2HB PRO 134 HB1 PRO 134 142.180 24.367 -6.807 1076 1HG PRO 134 HG2 PRO 134 139.949 25.110 -5.561 1077 2HG PRO 134 HG1 PRO 134 140.193 23.430 -6.079 1078 1HD PRO 134 HD2 PRO 134 140.461 24.625 -3.349 1079 2HD PRO 134 HD1 PRO 134 139.746 23.071 -3.837 Start of MODEL 12 1 1H SER 1 HT1 SER 1 140.251 0.570 9.227 2 2H SER 1 HT2 SER 1 141.783 1.140 8.919 3 3H SER 1 HT3 SER 1 141.485 -0.545 8.812 4 HA SER 1 HA SER 1 141.635 0.326 6.655 5 1HB SER 1 HB2 SER 1 138.713 0.034 7.411 6 2HB SER 1 HB1 SER 1 139.392 -0.162 5.797 7 HG SER 1 HG SER 1 140.403 -1.991 6.412 8 H MET 2 HN MET 2 142.318 2.349 6.393 9 HA MET 2 HA MET 2 140.278 4.438 6.411 10 1HB MET 2 HB2 MET 2 142.186 6.081 6.480 11 2HB MET 2 HB1 MET 2 141.992 5.120 7.927 12 1HG MET 2 HG2 MET 2 144.314 5.333 7.507 13 2HG MET 2 HG1 MET 2 143.868 3.677 7.140 14 1HE MET 2 HE1 MET 2 144.842 6.894 3.954 15 2HE MET 2 HE2 MET 2 144.906 7.173 5.696 16 3HE MET 2 HE3 MET 2 143.355 6.911 4.901 17 H VAL 3 HN VAL 3 140.222 5.863 4.646 18 HA VAL 3 HA VAL 3 141.266 4.566 2.268 19 HB VAL 3 HB VAL 3 138.884 4.443 2.272 20 1HG1 VAL 3 HG11 VAL 3 138.874 7.410 2.705 21 2HG1 VAL 3 HG12 VAL 3 138.358 6.163 3.858 22 3HG1 VAL 3 HG13 VAL 3 137.454 6.419 2.363 23 1HG2 VAL 3 HG21 VAL 3 139.754 6.655 0.426 24 2HG2 VAL 3 HG22 VAL 3 138.298 5.672 0.259 25 3HG2 VAL 3 HG23 VAL 3 139.884 4.920 0.128 26 H SER 4 HN SER 4 142.710 5.539 1.182 27 HA SER 4 HA SER 4 143.567 8.264 1.610 28 1HB SER 4 HB2 SER 4 144.233 6.284 -0.571 29 2HB SER 4 HB1 SER 4 145.145 7.731 -0.138 30 HG SER 4 HG SER 4 144.768 5.379 1.399 31 HA PRO 5 HA PRO 5 140.855 10.625 -0.711 32 1HB PRO 5 HB2 PRO 5 142.700 12.233 -2.075 33 2HB PRO 5 HB1 PRO 5 141.994 12.561 -0.492 34 1HG PRO 5 HG2 PRO 5 144.633 11.372 -1.184 35 2HG PRO 5 HG1 PRO 5 144.197 12.440 0.161 36 1HD PRO 5 HD2 PRO 5 144.608 9.824 0.534 37 2HD PRO 5 HD1 PRO 5 143.349 10.698 1.432 38 H GLU 6 HN GLU 6 143.471 9.093 -2.505 39 HA GLU 6 HA GLU 6 141.919 9.594 -4.936 40 1HB GLU 6 HB2 GLU 6 143.727 8.644 -6.309 41 2HB GLU 6 HB1 GLU 6 144.327 9.911 -5.267 42 1HG GLU 6 HG2 GLU 6 144.629 6.965 -4.764 43 2HG GLU 6 HG1 GLU 6 145.849 8.000 -5.501 44 H GLU 7 HN GLU 7 142.461 7.128 -2.723 45 HA GLU 7 HA GLU 7 141.343 4.980 -4.227 46 1HB GLU 7 HB2 GLU 7 142.627 4.551 -2.199 47 2HB GLU 7 HB1 GLU 7 141.564 5.580 -1.262 48 1HG GLU 7 HG2 GLU 7 141.201 3.240 -0.771 49 2HG GLU 7 HG1 GLU 7 139.771 3.959 -1.493 50 H ALA 8 HN ALA 8 140.226 7.425 -2.020 51 HA ALA 8 HA ALA 8 137.504 6.812 -2.021 52 1HB ALA 8 HB1 ALA 8 137.204 9.056 -1.008 53 2HB ALA 8 HB2 ALA 8 138.862 9.462 -1.466 54 3HB ALA 8 HB3 ALA 8 138.561 8.178 -0.310 55 H VAL 9 HN VAL 9 139.302 9.247 -4.028 56 HA VAL 9 HA VAL 9 137.025 10.065 -5.456 57 HB VAL 9 HB VAL 9 138.403 10.967 -7.211 58 1HG1 VAL 9 HG11 VAL 9 139.932 12.410 -5.993 59 2HG1 VAL 9 HG12 VAL 9 139.722 11.384 -4.569 60 3HG1 VAL 9 HG13 VAL 9 138.347 12.263 -5.228 61 1HG2 VAL 9 HG21 VAL 9 140.837 10.634 -7.358 62 2HG2 VAL 9 HG22 VAL 9 139.951 9.122 -7.591 63 3HG2 VAL 9 HG23 VAL 9 140.741 9.452 -6.052 64 H LYS 10 HN LYS 10 138.988 7.254 -5.824 65 HA LYS 10 HA LYS 10 138.147 6.625 -8.453 66 1HB LYS 10 HB2 LYS 10 140.134 5.724 -6.953 67 2HB LYS 10 HB1 LYS 10 138.948 4.502 -6.520 68 1HG LYS 10 HG2 LYS 10 140.196 3.604 -8.297 69 2HG LYS 10 HG1 LYS 10 138.645 4.093 -8.987 70 1HD LYS 10 HD2 LYS 10 140.392 4.816 -10.499 71 2HD LYS 10 HD1 LYS 10 139.718 6.236 -9.682 72 1HE LYS 10 HE2 LYS 10 141.564 6.346 -8.171 73 2HE LYS 10 HE1 LYS 10 142.217 4.825 -8.771 74 1HZ LYS 10 HZ1 LYS 10 142.015 7.360 -10.344 75 2HZ LYS 10 HZ2 LYS 10 142.583 5.884 -10.914 76 3HZ LYS 10 HZ3 LYS 10 143.421 6.672 -9.691 77 H TRP 11 HN TRP 11 136.781 6.210 -5.294 78 HA TRP 11 HA TRP 11 134.793 4.258 -5.919 79 1HB TRP 11 HB2 TRP 11 134.772 6.408 -3.770 80 2HB TRP 11 HB1 TRP 11 133.642 5.105 -3.874 81 HD1 TRP 11 HD1 TRP 11 136.605 3.317 -4.654 82 HE1 TRP 11 HE1 TRP 11 137.745 2.369 -2.561 83 HE3 TRP 11 HE3 TRP 11 134.247 6.149 -1.148 84 HZ2 TRP 11 HZ2 TRP 11 137.580 2.736 0.235 85 HZ3 TRP 11 HZ3 TRP 11 134.760 5.757 1.241 86 HH2 TRP 11 HH2 TRP 11 136.402 4.101 1.897 87 H GLY 12 HN GLY 12 135.231 7.551 -6.602 88 1HA GLY 12 HA2 GLY 12 132.493 8.374 -6.659 89 2HA GLY 12 HA1 GLY 12 133.881 9.290 -7.218 90 H GLU 13 HN GLU 13 134.130 6.412 -8.721 91 HA GLU 13 HA GLU 13 132.216 7.130 -10.807 92 1HB GLU 13 HB2 GLU 13 133.825 6.383 -12.529 93 2HB GLU 13 HB1 GLU 13 134.363 7.798 -11.642 94 1HG GLU 13 HG2 GLU 13 135.893 6.449 -10.350 95 2HG GLU 13 HG1 GLU 13 135.292 4.982 -11.125 96 H SER 14 HN SER 14 133.084 4.822 -8.605 97 HA SER 14 HA SER 14 131.568 2.815 -10.043 98 1HB SER 14 HB2 SER 14 134.335 2.255 -8.940 99 2HB SER 14 HB1 SER 14 133.224 1.041 -9.568 100 HG SER 14 HG SER 14 133.225 2.290 -11.521 101 H PHE 15 HN PHE 15 129.919 2.903 -8.583 102 HA PHE 15 HA PHE 15 130.133 2.961 -5.796 103 1HB PHE 15 HB2 PHE 15 128.017 3.453 -6.873 104 2HB PHE 15 HB1 PHE 15 127.931 1.831 -7.544 105 HD1 PHE 15 HD1 PHE 15 128.458 3.255 -4.108 106 HD2 PHE 15 HD2 PHE 15 126.268 0.584 -6.583 107 HE1 PHE 15 HE1 PHE 15 127.115 2.509 -2.144 108 HE2 PHE 15 HE2 PHE 15 124.943 -0.129 -4.626 109 HZ PHE 15 HZ PHE 15 125.386 0.844 -2.433 110 H ASP 16 HN ASP 16 130.218 0.249 -8.020 111 HA ASP 16 HA ASP 16 130.005 -1.792 -6.082 112 1HB ASP 16 HB2 ASP 16 130.662 -3.344 -7.740 113 2HB ASP 16 HB1 ASP 16 129.860 -2.064 -8.637 114 H LYS 17 HN LYS 17 132.746 0.090 -7.173 115 HA LYS 17 HA LYS 17 134.751 -1.496 -5.903 116 1HB LYS 17 HB2 LYS 17 135.506 -0.020 -7.629 117 2HB LYS 17 HB1 LYS 17 134.720 1.361 -6.871 118 1HG LYS 17 HG2 LYS 17 136.249 1.311 -5.056 119 2HG LYS 17 HG1 LYS 17 137.036 -0.138 -5.688 120 1HD LYS 17 HD2 LYS 17 137.813 1.105 -7.617 121 2HD LYS 17 HD1 LYS 17 136.904 2.529 -7.090 122 1HE LYS 17 HE2 LYS 17 139.264 2.722 -6.520 123 2HE LYS 17 HE1 LYS 17 138.242 2.688 -5.090 124 1HZ LYS 17 HZ1 LYS 17 140.129 0.619 -6.055 125 2HZ LYS 17 HZ2 LYS 17 138.823 0.191 -5.053 126 3HZ LYS 17 HZ3 LYS 17 139.919 1.324 -4.528 127 H LEU 18 HN LEU 18 133.016 1.389 -5.080 128 HA LEU 18 HA LEU 18 134.009 2.067 -2.587 129 1HB LEU 18 HB2 LEU 18 132.529 3.500 -3.695 130 2HB LEU 18 HB1 LEU 18 131.347 2.239 -3.947 131 HG LEU 18 HG LEU 18 130.830 2.308 -1.518 132 1HD1 LEU 18 HD11 LEU 18 131.573 4.262 -0.252 133 2HD1 LEU 18 HD12 LEU 18 132.653 4.687 -1.591 134 3HD1 LEU 18 HD13 LEU 18 132.904 3.195 -0.693 135 1HD2 LEU 18 HD21 LEU 18 129.604 4.398 -1.627 136 2HD2 LEU 18 HD22 LEU 18 129.503 3.481 -3.139 137 3HD2 LEU 18 HD23 LEU 18 130.575 4.879 -3.025 138 H LEU 19 HN LEU 19 131.399 -0.015 -3.519 139 HA LEU 19 HA LEU 19 130.520 -0.744 -0.976 140 1HB LEU 19 HB2 LEU 19 129.511 -0.750 -3.380 141 2HB LEU 19 HB1 LEU 19 130.110 -2.393 -3.396 142 HG LEU 19 HG LEU 19 128.716 -2.948 -1.495 143 1HD1 LEU 19 HD11 LEU 19 127.758 -0.072 -1.689 144 2HD1 LEU 19 HD12 LEU 19 128.847 -0.668 -0.453 145 3HD1 LEU 19 HD13 LEU 19 127.198 -1.277 -0.520 146 1HD2 LEU 19 HD21 LEU 19 127.834 -3.135 -3.765 147 2HD2 LEU 19 HD22 LEU 19 127.294 -1.464 -3.702 148 3HD2 LEU 19 HD23 LEU 19 126.557 -2.671 -2.636 149 H SER 20 HN SER 20 132.900 -2.135 -3.165 150 HA SER 20 HA SER 20 133.073 -4.597 -1.682 151 1HB SER 20 HB2 SER 20 134.805 -3.552 -3.927 152 2HB SER 20 HB1 SER 20 134.824 -5.196 -3.283 153 HG SER 20 HG SER 20 132.742 -3.854 -4.635 154 H HIS 21 HN HIS 21 134.369 -1.519 -1.297 155 HA HIS 21 HA HIS 21 136.872 -2.400 -0.101 156 1HB HIS 21 HB2 HIS 21 136.127 -0.044 -1.323 157 2HB HIS 21 HB1 HIS 21 135.909 0.378 0.368 158 HD1 HIS 21 HD1 HIS 21 138.061 1.408 1.424 159 HD2 HIS 21 HD2 HIS 21 138.846 -1.151 -1.777 160 HE1 HIS 21 HE1 HIS 21 140.472 1.465 1.112 161 HE2 HIS 21 HE2 HIS 21 140.917 0.115 -0.963 162 H ARG 22 HN ARG 22 137.204 -2.441 2.181 163 HA ARG 22 HA ARG 22 134.889 -3.101 3.702 164 1HB ARG 22 HB2 ARG 22 137.693 -2.486 4.669 165 2HB ARG 22 HB1 ARG 22 136.424 -3.221 5.639 166 1HG ARG 22 HG2 ARG 22 136.416 -5.154 4.141 167 2HG ARG 22 HG1 ARG 22 137.703 -4.412 3.191 168 1HD ARG 22 HD2 ARG 22 139.142 -4.398 5.181 169 2HD ARG 22 HD1 ARG 22 137.859 -5.187 6.099 170 HE ARG 22 HE ARG 22 138.570 -6.598 3.736 171 1HH1 ARG 22 HH11 ARG 22 139.497 -6.120 7.141 172 2HH1 ARG 22 HH12 ARG 22 140.321 -7.614 7.244 173 1HH2 ARG 22 HH21 ARG 22 139.703 -8.624 3.940 174 2HH2 ARG 22 HH22 ARG 22 140.477 -9.035 5.436 175 H ASP 23 HN ASP 23 137.109 -0.402 3.820 176 HA ASP 23 HA ASP 23 135.431 1.091 5.623 177 1HB ASP 23 HB2 ASP 23 137.009 3.019 5.071 178 2HB ASP 23 HB1 ASP 23 137.742 1.599 5.813 179 H GLY 24 HN GLY 24 135.123 0.397 2.471 180 1HA GLY 24 HA2 GLY 24 134.044 2.967 1.634 181 2HA GLY 24 HA1 GLY 24 134.192 1.539 0.629 182 H LEU 25 HN LEU 25 132.861 -0.387 1.982 183 HA LEU 25 HA LEU 25 130.168 0.413 1.643 184 1HB LEU 25 HB2 LEU 25 129.692 -1.810 1.747 185 2HB LEU 25 HB1 LEU 25 131.429 -2.017 1.834 186 HG LEU 25 HG LEU 25 129.678 -1.908 4.297 187 1HD1 LEU 25 HD11 LEU 25 128.934 -3.731 2.872 188 2HD1 LEU 25 HD12 LEU 25 129.778 -4.351 4.292 189 3HD1 LEU 25 HD13 LEU 25 130.593 -4.314 2.727 190 1HD2 LEU 25 HD21 LEU 25 131.568 -3.151 5.300 191 2HD2 LEU 25 HD22 LEU 25 132.039 -1.547 4.778 192 3HD2 LEU 25 HD23 LEU 25 132.481 -2.956 3.803 193 H GLU 26 HN GLU 26 132.353 0.296 4.238 194 HA GLU 26 HA GLU 26 130.702 0.871 6.395 195 1HB GLU 26 HB2 GLU 26 132.947 0.066 6.495 196 2HB GLU 26 HB1 GLU 26 133.556 1.499 5.720 197 1HG GLU 26 HG2 GLU 26 134.063 1.476 8.038 198 2HG GLU 26 HG1 GLU 26 133.010 2.846 7.674 199 H ALA 27 HN ALA 27 132.403 3.040 4.017 200 HA ALA 27 HA ALA 27 131.517 5.438 5.241 201 1HB ALA 27 HB1 ALA 27 132.403 4.890 2.368 202 2HB ALA 27 HB2 ALA 27 133.344 5.703 3.629 203 3HB ALA 27 HB3 ALA 27 131.907 6.456 2.956 204 H PHE 28 HN PHE 28 130.165 3.402 2.707 205 HA PHE 28 HA PHE 28 128.046 5.189 2.121 206 1HB PHE 28 HB2 PHE 28 128.943 3.549 0.474 207 2HB PHE 28 HB1 PHE 28 128.206 2.255 1.411 208 HD1 PHE 28 HD1 PHE 28 125.947 1.684 1.080 209 HD2 PHE 28 HD2 PHE 28 127.457 5.328 -0.505 210 HE1 PHE 28 HE1 PHE 28 123.850 2.016 -0.154 211 HE2 PHE 28 HE2 PHE 28 125.364 5.663 -1.746 212 HZ PHE 28 HZ PHE 28 123.557 4.005 -1.570 213 H THR 29 HN THR 29 128.248 2.268 4.165 214 HA THR 29 HA THR 29 125.506 2.150 4.695 215 HB THR 29 HB THR 29 127.060 0.240 5.263 216 HG1 THR 29 HG1 THR 29 125.971 -0.367 7.108 217 1HG2 THR 29 HG21 THR 29 127.800 1.930 7.659 218 2HG2 THR 29 HG22 THR 29 128.883 1.505 6.331 219 3HG2 THR 29 HG23 THR 29 128.263 0.248 7.404 220 H ARG 30 HN ARG 30 128.044 4.001 6.197 221 HA ARG 30 HA ARG 30 126.566 4.981 8.401 222 1HB ARG 30 HB2 ARG 30 128.806 6.348 6.887 223 2HB ARG 30 HB1 ARG 30 128.181 6.873 8.445 224 1HG ARG 30 HG2 ARG 30 128.913 4.809 9.464 225 2HG ARG 30 HG1 ARG 30 129.464 4.216 7.898 226 1HD ARG 30 HD2 ARG 30 131.034 6.129 7.781 227 2HD ARG 30 HD1 ARG 30 130.548 6.584 9.416 228 HE ARG 30 HE ARG 30 131.335 3.872 9.298 229 1HH1 ARG 30 HH11 ARG 30 132.781 7.155 9.366 230 2HH1 ARG 30 HH12 ARG 30 134.212 6.595 10.092 231 1HH2 ARG 30 HH21 ARG 30 133.266 3.221 10.284 232 2HH2 ARG 30 HH22 ARG 30 134.528 4.305 10.624 233 H PHE 31 HN PHE 31 127.018 6.221 5.140 234 HA PHE 31 HA PHE 31 125.353 8.471 5.496 235 1HB PHE 31 HB2 PHE 31 126.953 8.470 3.684 236 2HB PHE 31 HB1 PHE 31 126.194 7.050 2.967 237 HD1 PHE 31 HD1 PHE 31 124.717 7.373 1.235 238 HD2 PHE 31 HD2 PHE 31 125.293 10.491 4.070 239 HE1 PHE 31 HE1 PHE 31 123.196 8.808 -0.029 240 HE2 PHE 31 HE2 PHE 31 123.775 11.930 2.801 241 HZ PHE 31 HZ PHE 31 122.718 11.088 0.754 242 H LEU 32 HN LEU 32 124.737 5.225 4.328 243 HA LEU 32 HA LEU 32 122.073 5.717 3.499 244 1HB LEU 32 HB2 LEU 32 123.791 3.685 3.135 245 2HB LEU 32 HB1 LEU 32 122.910 3.059 4.506 246 HG LEU 32 HG LEU 32 120.821 3.162 3.262 247 1HD1 LEU 32 HD11 LEU 32 122.538 4.177 0.999 248 2HD1 LEU 32 HD12 LEU 32 121.331 5.112 1.882 249 3HD1 LEU 32 HD13 LEU 32 120.833 3.744 0.887 250 1HD2 LEU 32 HD21 LEU 32 121.327 1.452 1.598 251 2HD2 LEU 32 HD22 LEU 32 122.182 1.147 3.111 252 3HD2 LEU 32 HD23 LEU 32 123.045 1.829 1.731 253 H LYS 33 HN LYS 33 123.520 4.992 6.574 254 HA LYS 33 HA LYS 33 121.050 4.515 7.908 255 1HB LYS 33 HB2 LYS 33 123.812 5.102 8.934 256 2HB LYS 33 HB1 LYS 33 122.429 4.848 9.997 257 1HG LYS 33 HG2 LYS 33 122.097 2.647 9.088 258 2HG LYS 33 HG1 LYS 33 123.420 2.899 7.950 259 1HD LYS 33 HD2 LYS 33 125.005 2.996 9.731 260 2HD LYS 33 HD1 LYS 33 123.714 2.954 10.943 261 1HE LYS 33 HE2 LYS 33 124.247 0.784 8.926 262 2HE LYS 33 HE1 LYS 33 124.809 0.757 10.594 263 1HZ LYS 33 HZ1 LYS 33 122.659 0.618 11.406 264 2HZ LYS 33 HZ2 LYS 33 122.608 -0.465 10.113 265 3HZ LYS 33 HZ3 LYS 33 121.912 1.072 9.982 266 H THR 34 HN THR 34 123.137 7.374 7.577 267 HA THR 34 HA THR 34 121.522 8.946 9.304 268 HB THR 34 HB THR 34 123.879 9.572 8.852 269 HG1 THR 34 HG1 THR 34 122.193 11.647 7.877 270 1HG2 THR 34 HG21 THR 34 124.148 9.010 6.564 271 2HG2 THR 34 HG22 THR 34 124.377 10.767 6.640 272 3HG2 THR 34 HG23 THR 34 122.852 10.062 6.067 273 H GLU 35 HN GLU 35 121.503 8.318 5.872 274 HA GLU 35 HA GLU 35 119.452 10.194 5.268 275 1HB GLU 35 HB2 GLU 35 120.895 9.713 3.534 276 2HB GLU 35 HB1 GLU 35 120.872 7.987 3.809 277 1HG GLU 35 HG2 GLU 35 118.545 7.965 3.000 278 2HG GLU 35 HG1 GLU 35 118.627 9.709 2.693 279 H PHE 36 HN PHE 36 119.585 7.038 6.522 280 HA PHE 36 HA PHE 36 118.157 5.508 7.203 281 1HB PHE 36 HB2 PHE 36 116.077 7.667 6.852 282 2HB PHE 36 HB1 PHE 36 115.702 6.070 7.483 283 HD1 PHE 36 HD1 PHE 36 116.403 5.411 9.684 284 HD2 PHE 36 HD2 PHE 36 117.362 9.257 8.151 285 HE1 PHE 36 HE1 PHE 36 116.978 6.162 11.950 286 HE2 PHE 36 HE2 PHE 36 117.943 10.020 10.415 287 HZ PHE 36 HZ PHE 36 117.751 8.470 12.320 288 H SER 37 HN SER 37 118.995 4.809 5.083 289 HA SER 37 HA SER 37 116.751 3.568 3.650 290 1HB SER 37 HB2 SER 37 119.287 4.589 2.328 291 2HB SER 37 HB1 SER 37 117.869 3.913 1.533 292 HG SER 37 HG SER 37 118.301 6.319 1.715 293 H GLU 38 HN GLU 38 118.745 3.001 5.823 294 HA GLU 38 HA GLU 38 120.963 1.507 5.031 295 1HB GLU 38 HB2 GLU 38 120.899 0.573 7.358 296 2HB GLU 38 HB1 GLU 38 120.926 2.328 7.232 297 1HG GLU 38 HG2 GLU 38 118.645 2.498 7.798 298 2HG GLU 38 HG1 GLU 38 118.390 0.767 7.582 299 H GLU 39 HN GLU 39 117.668 0.599 5.148 300 HA GLU 39 HA GLU 39 117.635 -2.104 5.509 301 1HB GLU 39 HB2 GLU 39 115.559 -1.069 5.255 302 2HB GLU 39 HB1 GLU 39 116.039 -0.215 3.813 303 1HG GLU 39 HG2 GLU 39 115.712 -3.182 3.703 304 2HG GLU 39 HG1 GLU 39 114.280 -2.158 3.756 305 H ASN 40 HN ASN 40 118.586 -0.376 2.641 306 HA ASN 40 HA ASN 40 118.816 -2.598 0.920 307 1HB ASN 40 HB2 ASN 40 120.288 0.033 0.813 308 2HB ASN 40 HB1 ASN 40 120.242 -1.147 -0.477 309 1HD2 ASN 40 HD21 ASN 40 117.222 -1.576 0.198 310 2HD2 ASN 40 HD22 ASN 40 116.514 -0.227 -0.561 311 H ILE 41 HN ILE 41 121.246 -0.872 2.816 312 HA ILE 41 HA ILE 41 123.427 -2.363 1.814 313 HB ILE 41 HB ILE 41 123.429 0.005 2.972 314 1HG1 ILE 41 HG12 ILE 41 125.801 -0.202 3.662 315 2HG1 ILE 41 HG11 ILE 41 125.672 -1.970 3.489 316 1HG2 ILE 41 HG21 ILE 41 124.125 0.039 5.317 317 2HG2 ILE 41 HG22 ILE 41 123.817 -1.695 5.413 318 3HG2 ILE 41 HG23 ILE 41 122.487 -0.582 5.098 319 1HD1 ILE 41 HD11 ILE 41 125.367 0.167 1.404 320 2HD1 ILE 41 HD12 ILE 41 125.209 -1.567 1.092 321 3HD1 ILE 41 HD13 ILE 41 126.755 -0.890 1.596 322 H GLU 42 HN GLU 42 121.383 -2.637 4.673 323 HA GLU 42 HA GLU 42 122.865 -4.829 5.752 324 1HB GLU 42 HB2 GLU 42 120.293 -3.504 6.542 325 2HB GLU 42 HB1 GLU 42 120.926 -4.921 7.379 326 1HG GLU 42 HG2 GLU 42 122.808 -3.839 8.071 327 2HG GLU 42 HG1 GLU 42 122.649 -2.494 7.000 328 H PHE 43 HN PHE 43 120.425 -4.507 3.434 329 HA PHE 43 HA PHE 43 119.143 -6.981 3.666 330 1HB PHE 43 HB2 PHE 43 118.270 -5.248 2.202 331 2HB PHE 43 HB1 PHE 43 119.716 -5.326 1.203 332 HD1 PHE 43 HD1 PHE 43 119.975 -7.040 -0.462 333 HD2 PHE 43 HD2 PHE 43 116.713 -7.082 2.229 334 HE1 PHE 43 HE1 PHE 43 118.883 -8.762 -1.825 335 HE2 PHE 43 HE2 PHE 43 115.609 -8.763 0.903 336 HZ PHE 43 HZ PHE 43 116.682 -9.636 -1.144 337 H TRP 44 HN TRP 44 121.735 -6.021 1.395 338 HA TRP 44 HA TRP 44 122.140 -8.848 1.157 339 1HB TRP 44 HB2 TRP 44 124.006 -8.406 -0.488 340 2HB TRP 44 HB1 TRP 44 122.390 -7.929 -0.957 341 HD1 TRP 44 HD1 TRP 44 122.315 -5.724 -2.125 342 HE1 TRP 44 HE1 TRP 44 123.744 -3.633 -2.205 343 HE3 TRP 44 HE3 TRP 44 125.774 -7.005 1.412 344 HZ2 TRP 44 HZ2 TRP 44 126.042 -2.620 -0.874 345 HZ3 TRP 44 HZ3 TRP 44 127.549 -5.409 1.956 346 HH2 TRP 44 HH2 TRP 44 127.680 -3.264 0.832 347 H ILE 45 HN ILE 45 123.398 -6.563 3.115 348 HA ILE 45 HA ILE 45 125.748 -7.882 3.852 349 HB ILE 45 HB ILE 45 124.068 -5.733 4.810 350 1HG1 ILE 45 HG12 ILE 45 127.019 -6.221 5.153 351 2HG1 ILE 45 HG11 ILE 45 126.249 -5.484 3.757 352 1HG2 ILE 45 HG21 ILE 45 123.758 -7.161 6.798 353 2HG2 ILE 45 HG22 ILE 45 124.464 -5.589 7.073 354 3HG2 ILE 45 HG23 ILE 45 125.508 -7.038 7.111 355 1HD1 ILE 45 HD11 ILE 45 125.498 -3.633 5.170 356 2HD1 ILE 45 HD12 ILE 45 127.250 -3.822 5.170 357 3HD1 ILE 45 HD13 ILE 45 126.303 -4.376 6.554 358 H ALA 46 HN ALA 46 122.380 -8.416 4.621 359 HA ALA 46 HA ALA 46 122.838 -10.535 6.470 360 1HB ALA 46 HB1 ALA 46 120.684 -9.457 6.521 361 2HB ALA 46 HB2 ALA 46 120.425 -11.119 5.919 362 3HB ALA 46 HB3 ALA 46 120.450 -9.769 4.805 363 H CYS 47 HN CYS 47 122.350 -10.230 3.014 364 HA CYS 47 HA CYS 47 122.060 -12.971 2.415 365 1HB CYS 47 HB2 CYS 47 123.012 -10.741 0.611 366 2HB CYS 47 HB1 CYS 47 122.415 -12.313 0.084 367 HG CYS 47 HG CYS 47 120.546 -9.961 1.742 368 H GLU 48 HN GLU 48 124.925 -10.884 2.506 369 HA GLU 48 HA GLU 48 126.670 -12.933 1.639 370 1HB GLU 48 HB2 GLU 48 127.218 -10.361 3.126 371 2HB GLU 48 HB1 GLU 48 128.472 -11.479 2.583 372 1HG GLU 48 HG2 GLU 48 126.464 -10.267 0.717 373 2HG GLU 48 HG1 GLU 48 128.021 -9.525 1.072 374 H ASP 49 HN ASP 49 125.614 -11.873 4.819 375 HA ASP 49 HA ASP 49 127.160 -13.683 6.355 376 1HB ASP 49 HB2 ASP 49 125.992 -11.909 7.492 377 2HB ASP 49 HB1 ASP 49 124.443 -12.440 6.856 378 H PHE 50 HN PHE 50 124.308 -14.010 4.533 379 HA PHE 50 HA PHE 50 123.506 -16.553 5.462 380 1HB PHE 50 HB2 PHE 50 121.832 -15.132 4.579 381 2HB PHE 50 HB1 PHE 50 122.763 -14.798 3.134 382 HD1 PHE 50 HD1 PHE 50 122.493 -16.079 1.208 383 HD2 PHE 50 HD2 PHE 50 120.789 -17.344 4.875 384 HE1 PHE 50 HE1 PHE 50 121.213 -17.786 0.003 385 HE2 PHE 50 HE2 PHE 50 119.507 -19.068 3.682 386 HZ PHE 50 HZ PHE 50 119.715 -19.285 1.244 387 H LYS 51 HN LYS 51 124.969 -15.463 2.398 388 HA LYS 51 HA LYS 51 125.396 -17.975 1.234 389 1HB LYS 51 HB2 LYS 51 125.433 -15.721 0.068 390 2HB LYS 51 HB1 LYS 51 127.011 -15.434 0.771 391 1HG LYS 51 HG2 LYS 51 126.520 -17.819 -0.986 392 2HG LYS 51 HG1 LYS 51 126.823 -16.236 -1.682 393 1HD LYS 51 HD2 LYS 51 128.728 -17.302 0.359 394 2HD LYS 51 HD1 LYS 51 128.763 -17.986 -1.261 395 1HE LYS 51 HE2 LYS 51 130.411 -16.209 -1.054 396 2HE LYS 51 HE1 LYS 51 129.161 -15.756 -2.195 397 1HZ LYS 51 HZ1 LYS 51 129.878 -13.970 -0.733 398 2HZ LYS 51 HZ2 LYS 51 129.326 -14.783 0.626 399 3HZ LYS 51 HZ3 LYS 51 128.239 -14.225 -0.549 400 H LYS 52 HN LYS 52 127.133 -16.226 3.560 401 HA LYS 52 HA LYS 52 129.674 -17.336 3.654 402 1HB LYS 52 HB2 LYS 52 128.912 -15.428 4.925 403 2HB LYS 52 HB1 LYS 52 127.819 -16.464 5.845 404 1HG LYS 52 HG2 LYS 52 129.831 -17.612 6.744 405 2HG LYS 52 HG1 LYS 52 130.815 -16.374 5.944 406 1HD LYS 52 HD2 LYS 52 129.589 -14.632 7.123 407 2HD LYS 52 HD1 LYS 52 128.615 -15.857 7.925 408 1HE LYS 52 HE2 LYS 52 130.265 -15.121 9.420 409 2HE LYS 52 HE1 LYS 52 130.667 -16.762 8.909 410 1HZ LYS 52 HZ1 LYS 52 132.634 -15.310 8.935 411 2HZ LYS 52 HZ2 LYS 52 131.913 -14.271 7.833 412 3HZ LYS 52 HZ3 LYS 52 132.326 -15.822 7.357 413 H SER 53 HN SER 53 126.577 -18.630 4.703 414 HA SER 53 HA SER 53 127.820 -20.799 6.161 415 1HB SER 53 HB2 SER 53 124.913 -20.120 5.658 416 2HB SER 53 HB1 SER 53 125.508 -21.376 6.752 417 HG SER 53 HG SER 53 126.261 -18.672 6.950 418 H LYS 54 HN LYS 54 127.696 -22.918 5.448 419 HA LYS 54 HA LYS 54 126.888 -23.151 2.626 420 1HB LYS 54 HB2 LYS 54 128.706 -24.571 2.118 421 2HB LYS 54 HB1 LYS 54 129.376 -23.217 2.996 422 1HG LYS 54 HG2 LYS 54 128.844 -25.957 4.154 423 2HG LYS 54 HG1 LYS 54 130.399 -25.388 3.572 424 1HD LYS 54 HD2 LYS 54 130.300 -23.597 5.329 425 2HD LYS 54 HD1 LYS 54 128.822 -24.376 5.926 426 1HE LYS 54 HE2 LYS 54 130.005 -26.429 6.328 427 2HE LYS 54 HE1 LYS 54 131.471 -25.762 5.624 428 1HZ LYS 54 HZ1 LYS 54 131.430 -24.098 7.505 429 2HZ LYS 54 HZ2 LYS 54 131.762 -25.680 7.849 430 3HZ LYS 54 HZ3 LYS 54 130.241 -25.077 8.252 431 H GLY 55 HN GLY 55 126.140 -24.048 5.622 432 1HA GLY 55 HA2 GLY 55 125.600 -26.842 5.226 433 2HA GLY 55 HA1 GLY 55 125.100 -25.869 6.611 434 HA PRO 56 HA PRO 56 122.110 -25.711 2.780 435 1HB PRO 56 HB2 PRO 56 121.259 -28.536 2.954 436 2HB PRO 56 HB1 PRO 56 121.679 -27.535 1.549 437 1HG PRO 56 HG2 PRO 56 123.320 -29.478 2.462 438 2HG PRO 56 HG1 PRO 56 123.911 -27.991 1.696 439 1HD PRO 56 HD2 PRO 56 123.797 -28.718 4.596 440 2HD PRO 56 HD1 PRO 56 125.057 -27.840 3.703 441 H GLN 57 HN GLN 57 121.589 -27.703 5.701 442 HA GLN 57 HA GLN 57 118.809 -27.149 5.892 443 1HB GLN 57 HB2 GLN 57 120.016 -28.922 7.282 444 2HB GLN 57 HB1 GLN 57 120.683 -27.571 8.208 445 1HG GLN 57 HG2 GLN 57 118.537 -26.900 8.950 446 2HG GLN 57 HG1 GLN 57 117.756 -28.113 7.938 447 1HE2 GLN 57 HE21 GLN 57 119.639 -27.557 10.820 448 2HE2 GLN 57 HE22 GLN 57 119.347 -29.101 11.520 449 H GLN 58 HN GLN 58 121.687 -25.645 7.196 450 HA GLN 58 HA GLN 58 120.508 -23.592 8.676 451 1HB GLN 58 HB2 GLN 58 122.898 -24.279 8.823 452 2HB GLN 58 HB1 GLN 58 123.179 -23.568 7.244 453 1HG GLN 58 HG2 GLN 58 123.988 -22.089 8.954 454 2HG GLN 58 HG1 GLN 58 122.596 -21.361 8.160 455 1HE2 GLN 58 HE21 GLN 58 122.360 -23.909 10.589 456 2HE2 GLN 58 HE22 GLN 58 121.631 -22.905 11.789 457 H ILE 59 HN ILE 59 121.327 -23.848 5.287 458 HA ILE 59 HA ILE 59 120.855 -21.237 4.406 459 HB ILE 59 HB ILE 59 120.061 -23.753 2.921 460 1HG1 ILE 59 HG12 ILE 59 122.361 -24.019 3.516 461 2HG1 ILE 59 HG11 ILE 59 122.293 -23.608 1.808 462 1HG2 ILE 59 HG21 ILE 59 120.724 -21.031 1.845 463 2HG2 ILE 59 HG22 ILE 59 119.132 -21.769 1.939 464 3HG2 ILE 59 HG23 ILE 59 120.358 -22.462 0.875 465 1HD1 ILE 59 HD11 ILE 59 124.114 -22.578 3.033 466 2HD1 ILE 59 HD12 ILE 59 122.953 -21.707 4.039 467 3HD1 ILE 59 HD13 ILE 59 123.052 -21.376 2.293 468 H HIS 60 HN HIS 60 118.618 -23.941 4.726 469 HA HIS 60 HA HIS 60 116.246 -22.683 3.829 470 1HB HIS 60 HB2 HIS 60 116.529 -24.905 5.859 471 2HB HIS 60 HB1 HIS 60 114.982 -24.325 5.276 472 HD1 HIS 60 HD1 HIS 60 114.169 -25.236 3.097 473 HD2 HIS 60 HD2 HIS 60 118.056 -26.299 3.980 474 HE1 HIS 60 HE1 HIS 60 114.798 -26.958 1.360 475 HE2 HIS 60 HE2 HIS 60 117.282 -27.274 1.752 476 H LEU 61 HN LEU 61 117.669 -22.857 6.963 477 HA LEU 61 HA LEU 61 115.582 -21.667 8.463 478 1HB LEU 61 HB2 LEU 61 118.520 -21.614 9.056 479 2HB LEU 61 HB1 LEU 61 117.192 -21.560 10.201 480 HG LEU 61 HG LEU 61 117.801 -23.931 8.457 481 1HD1 LEU 61 HD11 LEU 61 118.894 -24.927 10.313 482 2HD1 LEU 61 HD12 LEU 61 118.528 -23.512 11.331 483 3HD1 LEU 61 HD13 LEU 61 119.601 -23.350 9.929 484 1HD2 LEU 61 HD21 LEU 61 116.060 -23.617 10.897 485 2HD2 LEU 61 HD22 LEU 61 116.374 -25.127 10.024 486 3HD2 LEU 61 HD23 LEU 61 115.510 -23.808 9.229 487 H LYS 62 HN LYS 62 118.750 -20.444 7.585 488 HA LYS 62 HA LYS 62 118.320 -17.763 8.288 489 1HB LYS 62 HB2 LYS 62 120.276 -18.820 6.246 490 2HB LYS 62 HB1 LYS 62 120.302 -17.196 6.914 491 1HG LYS 62 HG2 LYS 62 120.674 -18.122 9.147 492 2HG LYS 62 HG1 LYS 62 120.652 -19.749 8.466 493 1HD LYS 62 HD2 LYS 62 122.938 -19.114 8.763 494 2HD LYS 62 HD1 LYS 62 122.595 -19.097 7.037 495 1HE LYS 62 HE2 LYS 62 123.947 -17.171 7.678 496 2HE LYS 62 HE1 LYS 62 122.362 -16.660 7.107 497 1HZ LYS 62 HZ1 LYS 62 122.989 -16.978 9.995 498 2HZ LYS 62 HZ2 LYS 62 121.673 -16.159 9.282 499 3HZ LYS 62 HZ3 LYS 62 123.234 -15.538 9.144 500 H ALA 63 HN ALA 63 117.775 -19.297 5.128 501 HA ALA 63 HA ALA 63 117.244 -16.893 3.730 502 1HB ALA 63 HB1 ALA 63 117.695 -19.020 2.544 503 2HB ALA 63 HB2 ALA 63 116.164 -18.296 2.039 504 3HB ALA 63 HB3 ALA 63 116.170 -19.638 3.181 505 H LYS 64 HN LYS 64 115.155 -19.199 5.346 506 HA LYS 64 HA LYS 64 112.729 -17.920 4.693 507 1HB LYS 64 HB2 LYS 64 112.964 -20.276 5.485 508 2HB LYS 64 HB1 LYS 64 113.315 -19.666 7.090 509 1HG LYS 64 HG2 LYS 64 110.998 -20.477 6.808 510 2HG LYS 64 HG1 LYS 64 111.096 -18.785 7.304 511 1HD LYS 64 HD2 LYS 64 110.519 -18.013 5.153 512 2HD LYS 64 HD1 LYS 64 110.840 -19.583 4.416 513 1HE LYS 64 HE2 LYS 64 108.427 -18.983 4.654 514 2HE LYS 64 HE1 LYS 64 108.892 -20.525 5.358 515 1HZ LYS 64 HZ1 LYS 64 108.844 -19.568 7.530 516 2HZ LYS 64 HZ2 LYS 64 107.384 -19.212 6.806 517 3HZ LYS 64 HZ3 LYS 64 108.558 -18.010 6.963 518 H ALA 65 HN ALA 65 115.028 -17.475 7.274 519 HA ALA 65 HA ALA 65 113.527 -15.693 8.849 520 1HB ALA 65 HB1 ALA 65 115.569 -16.790 9.652 521 2HB ALA 65 HB2 ALA 65 115.686 -15.037 9.800 522 3HB ALA 65 HB3 ALA 65 116.520 -15.869 8.487 523 H ILE 66 HN ILE 66 116.110 -15.040 6.475 524 HA ILE 66 HA ILE 66 115.834 -12.249 6.397 525 HB ILE 66 HB ILE 66 116.874 -14.127 4.250 526 1HG1 ILE 66 HG12 ILE 66 118.311 -12.556 6.401 527 2HG1 ILE 66 HG11 ILE 66 118.074 -14.298 6.370 528 1HG2 ILE 66 HG21 ILE 66 118.095 -12.170 3.359 529 2HG2 ILE 66 HG22 ILE 66 117.184 -11.134 4.474 530 3HG2 ILE 66 HG23 ILE 66 116.342 -12.037 3.212 531 1HD1 ILE 66 HD11 ILE 66 120.306 -13.827 5.721 532 2HD1 ILE 66 HD12 ILE 66 119.788 -12.619 4.577 533 3HD1 ILE 66 HD13 ILE 66 119.453 -14.342 4.259 534 H TYR 67 HN TYR 67 114.205 -14.740 4.610 535 HA TYR 67 HA TYR 67 112.828 -13.297 2.675 536 1HB TYR 67 HB2 TYR 67 112.805 -15.723 2.800 537 2HB TYR 67 HB1 TYR 67 111.927 -15.661 4.322 538 HD1 TYR 67 HD1 TYR 67 111.650 -14.400 0.859 539 HD2 TYR 67 HD2 TYR 67 109.666 -15.992 4.240 540 HE1 TYR 67 HE1 TYR 67 109.608 -14.378 -0.388 541 HE2 TYR 67 HE2 TYR 67 107.552 -16.026 3.009 542 HH TYR 67 HH TYR 67 106.540 -14.754 1.027 543 H GLU 68 HN GLU 68 111.627 -14.125 5.931 544 HA GLU 68 HA GLU 68 109.394 -12.350 5.551 545 1HB GLU 68 HB2 GLU 68 110.230 -14.015 7.905 546 2HB GLU 68 HB1 GLU 68 108.759 -13.055 7.831 547 1HG GLU 68 HG2 GLU 68 107.987 -14.358 5.924 548 2HG GLU 68 HG1 GLU 68 109.472 -15.306 5.957 549 H LYS 69 HN LYS 69 112.467 -11.998 6.646 550 HA LYS 69 HA LYS 69 111.986 -9.843 8.509 551 1HB LYS 69 HB2 LYS 69 113.831 -11.493 8.713 552 2HB LYS 69 HB1 LYS 69 114.542 -10.823 7.259 553 1HG LYS 69 HG2 LYS 69 115.718 -9.935 9.091 554 2HG LYS 69 HG1 LYS 69 114.702 -8.637 8.466 555 1HD LYS 69 HD2 LYS 69 113.115 -8.963 10.222 556 2HD LYS 69 HD1 LYS 69 113.974 -10.406 10.780 557 1HE LYS 69 HE2 LYS 69 115.961 -8.991 11.206 558 2HE LYS 69 HE1 LYS 69 114.998 -7.579 10.785 559 1HZ LYS 69 HZ1 LYS 69 113.622 -7.925 12.711 560 2HZ LYS 69 HZ2 LYS 69 115.244 -8.104 13.197 561 3HZ LYS 69 HZ3 LYS 69 114.296 -9.455 12.955 562 H PHE 70 HN PHE 70 112.695 -10.234 5.088 563 HA PHE 70 HA PHE 70 113.208 -7.347 4.794 564 1HB PHE 70 HB2 PHE 70 114.854 -9.625 3.707 565 2HB PHE 70 HB1 PHE 70 114.888 -8.026 3.003 566 HD1 PHE 70 HD1 PHE 70 115.981 -6.205 4.147 567 HD2 PHE 70 HD2 PHE 70 115.902 -10.109 5.806 568 HE1 PHE 70 HE1 PHE 70 117.820 -5.592 5.653 569 HE2 PHE 70 HE2 PHE 70 117.732 -9.501 7.326 570 HZ PHE 70 HZ PHE 70 118.696 -7.241 7.246 571 H ILE 71 HN ILE 71 112.778 -10.398 3.038 572 HA ILE 71 HA ILE 71 112.107 -9.220 0.581 573 HB ILE 71 HB ILE 71 111.635 -12.053 1.593 574 1HG1 ILE 71 HG12 ILE 71 113.948 -11.477 1.604 575 2HG1 ILE 71 HG11 ILE 71 113.654 -12.558 0.247 576 1HG2 ILE 71 HG21 ILE 71 111.206 -12.850 -0.542 577 2HG2 ILE 71 HG22 ILE 71 111.786 -11.403 -1.336 578 3HG2 ILE 71 HG23 ILE 71 110.218 -11.381 -0.483 579 1HD1 ILE 71 HD11 ILE 71 113.649 -10.593 -1.277 580 2HD1 ILE 71 HD12 ILE 71 115.160 -10.778 -0.396 581 3HD1 ILE 71 HD13 ILE 71 113.990 -9.568 0.112 582 H GLN 72 HN GLN 72 110.332 -9.963 3.359 583 HA GLN 72 HA GLN 72 107.739 -9.966 2.208 584 1HB GLN 72 HB2 GLN 72 108.759 -9.618 4.972 585 2HB GLN 72 HB1 GLN 72 107.046 -9.339 4.597 586 1HG GLN 72 HG2 GLN 72 108.460 -11.690 3.708 587 2HG GLN 72 HG1 GLN 72 107.841 -11.624 5.406 588 1HE2 GLN 72 HE21 GLN 72 105.532 -11.424 5.560 589 2HE2 GLN 72 HE22 GLN 72 104.500 -11.943 4.263 590 H THR 73 HN THR 73 106.351 -8.503 2.056 591 HA THR 73 HA THR 73 107.324 -5.854 1.477 592 HB THR 73 HB THR 73 104.533 -7.004 1.317 593 HG1 THR 73 HG1 THR 73 105.807 -6.360 -1.005 594 1HG2 THR 73 HG21 THR 73 104.483 -4.607 1.534 595 2HG2 THR 73 HG22 THR 73 104.047 -5.058 -0.122 596 3HG2 THR 73 HG23 THR 73 105.663 -4.423 0.238 597 H ASP 74 HN ASP 74 105.147 -7.299 3.805 598 HA ASP 74 HA ASP 74 105.013 -4.772 5.283 599 1HB ASP 74 HB2 ASP 74 103.431 -7.333 5.570 600 2HB ASP 74 HB1 ASP 74 103.299 -5.984 6.691 601 H ALA 75 HN ALA 75 107.399 -6.317 5.140 602 HA ALA 75 HA ALA 75 107.813 -7.712 7.621 603 1HB ALA 75 HB1 ALA 75 109.081 -8.349 5.671 604 2HB ALA 75 HB2 ALA 75 110.183 -7.700 6.899 605 3HB ALA 75 HB3 ALA 75 109.727 -6.710 5.515 606 HA PRO 76 HA PRO 76 109.142 -4.263 10.133 607 1HB PRO 76 HB2 PRO 76 111.268 -5.278 11.478 608 2HB PRO 76 HB1 PRO 76 109.606 -5.770 11.825 609 1HG PRO 76 HG2 PRO 76 111.677 -7.154 10.154 610 2HG PRO 76 HG1 PRO 76 110.576 -7.844 11.366 611 1HD PRO 76 HD2 PRO 76 110.123 -7.995 8.721 612 2HD PRO 76 HD1 PRO 76 108.793 -7.863 9.885 613 H LYS 77 HN LYS 77 111.286 -5.755 7.924 614 HA LYS 77 HA LYS 77 112.899 -3.323 7.705 615 1HB LYS 77 HB2 LYS 77 114.027 -5.295 8.916 616 2HB LYS 77 HB1 LYS 77 113.927 -6.156 7.392 617 1HG LYS 77 HG2 LYS 77 116.115 -5.303 7.586 618 2HG LYS 77 HG1 LYS 77 115.289 -4.314 6.382 619 1HD LYS 77 HD2 LYS 77 114.944 -2.565 7.988 620 2HD LYS 77 HD1 LYS 77 115.599 -3.572 9.285 621 1HE LYS 77 HE2 LYS 77 117.754 -3.650 8.049 622 2HE LYS 77 HE1 LYS 77 117.080 -2.509 6.885 623 1HZ LYS 77 HZ1 LYS 77 116.875 -0.870 8.603 624 2HZ LYS 77 HZ2 LYS 77 118.469 -1.528 8.705 625 3HZ LYS 77 HZ3 LYS 77 117.285 -2.010 9.778 626 H GLU 78 HN GLU 78 110.793 -3.434 6.280 627 HA GLU 78 HA GLU 78 110.595 -5.132 4.085 628 1HB GLU 78 HB2 GLU 78 108.966 -3.541 3.158 629 2HB GLU 78 HB1 GLU 78 108.656 -3.915 4.838 630 1HG GLU 78 HG2 GLU 78 110.052 -1.397 3.936 631 2HG GLU 78 HG1 GLU 78 108.308 -1.519 4.119 632 H VAL 79 HN VAL 79 111.656 -5.301 2.322 633 HA VAL 79 HA VAL 79 113.658 -3.334 1.618 634 HB VAL 79 HB VAL 79 113.019 -5.982 0.300 635 1HG1 VAL 79 HG11 VAL 79 115.274 -5.834 -0.633 636 2HG1 VAL 79 HG12 VAL 79 115.465 -4.230 0.080 637 3HG1 VAL 79 HG13 VAL 79 114.261 -4.499 -1.181 638 1HG2 VAL 79 HG21 VAL 79 115.107 -5.287 2.332 639 2HG2 VAL 79 HG22 VAL 79 114.865 -6.856 1.527 640 3HG2 VAL 79 HG23 VAL 79 113.634 -6.221 2.604 641 H ASN 80 HN ASN 80 113.660 -2.083 -0.069 642 HA ASN 80 HA ASN 80 111.276 -1.586 -1.647 643 1HB ASN 80 HB2 ASN 80 114.058 -0.410 -1.640 644 2HB ASN 80 HB1 ASN 80 112.851 0.071 -2.820 645 1HD2 ASN 80 HD21 ASN 80 113.696 0.087 0.615 646 2HD2 ASN 80 HD22 ASN 80 112.673 1.420 0.998 647 H LEU 81 HN LEU 81 112.386 -4.143 -1.961 648 HA LEU 81 HA LEU 81 114.017 -4.521 -4.250 649 1HB LEU 81 HB2 LEU 81 113.949 -6.034 -2.496 650 2HB LEU 81 HB1 LEU 81 112.218 -6.387 -2.689 651 HG LEU 81 HG LEU 81 113.028 -7.318 -4.991 652 1HD1 LEU 81 HD11 LEU 81 115.185 -6.224 -4.893 653 2HD1 LEU 81 HD12 LEU 81 115.307 -7.978 -5.048 654 3HD1 LEU 81 HD13 LEU 81 115.610 -7.222 -3.494 655 1HD2 LEU 81 HD21 LEU 81 112.248 -8.732 -3.124 656 2HD2 LEU 81 HD22 LEU 81 113.852 -8.701 -2.404 657 3HD2 LEU 81 HD23 LEU 81 113.604 -9.458 -3.970 658 H ASP 82 HN ASP 82 113.476 -5.210 -6.276 659 HA ASP 82 HA ASP 82 111.224 -4.331 -7.613 660 1HB ASP 82 HB2 ASP 82 113.272 -4.924 -8.770 661 2HB ASP 82 HB1 ASP 82 113.071 -6.612 -8.322 662 H PHE 83 HN PHE 83 109.346 -5.195 -8.243 663 HA PHE 83 HA PHE 83 108.024 -6.964 -6.564 664 1HB PHE 83 HB2 PHE 83 106.169 -6.872 -8.267 665 2HB PHE 83 HB1 PHE 83 106.735 -5.318 -7.677 666 HD1 PHE 83 HD1 PHE 83 107.813 -3.752 -9.159 667 HD2 PHE 83 HD2 PHE 83 106.628 -7.591 -10.565 668 HE1 PHE 83 HE1 PHE 83 108.126 -2.997 -11.478 669 HE2 PHE 83 HE2 PHE 83 106.948 -6.841 -12.886 670 HZ PHE 83 HZ PHE 83 107.693 -4.543 -13.343 671 H HIS 84 HN HIS 84 109.584 -7.630 -9.674 672 HA HIS 84 HA HIS 84 108.419 -10.253 -9.827 673 1HB HIS 84 HB2 HIS 84 108.959 -9.134 -11.916 674 2HB HIS 84 HB1 HIS 84 110.637 -8.948 -11.427 675 HD1 HIS 84 HD1 HIS 84 108.190 -11.554 -12.628 676 HD2 HIS 84 HD2 HIS 84 112.271 -11.129 -11.972 677 HE1 HIS 84 HE1 HIS 84 109.259 -13.604 -13.617 678 HE2 HIS 84 HE2 HIS 84 111.710 -13.384 -13.096 679 H THR 85 HN THR 85 111.468 -8.842 -8.837 680 HA THR 85 HA THR 85 112.875 -11.196 -8.418 681 HB THR 85 HB THR 85 113.072 -8.633 -6.819 682 HG1 THR 85 HG1 THR 85 114.323 -9.429 -9.273 683 1HG2 THR 85 HG21 THR 85 115.083 -10.843 -7.357 684 2HG2 THR 85 HG22 THR 85 114.337 -10.458 -5.794 685 3HG2 THR 85 HG23 THR 85 115.430 -9.328 -6.540 686 H LYS 86 HN LYS 86 110.946 -9.279 -6.076 687 HA LYS 86 HA LYS 86 111.247 -11.148 -3.993 688 1HB LYS 86 HB2 LYS 86 109.491 -9.968 -2.777 689 2HB LYS 86 HB1 LYS 86 110.554 -8.817 -3.563 690 1HG LYS 86 HG2 LYS 86 108.866 -8.501 -5.328 691 2HG LYS 86 HG1 LYS 86 107.797 -9.614 -4.476 692 1HD LYS 86 HD2 LYS 86 107.146 -7.358 -3.926 693 2HD LYS 86 HD1 LYS 86 107.884 -8.086 -2.500 694 1HE LYS 86 HE2 LYS 86 109.978 -6.938 -2.971 695 2HE LYS 86 HE1 LYS 86 109.301 -6.269 -4.449 696 1HZ LYS 86 HZ1 LYS 86 108.574 -5.537 -1.637 697 2HZ LYS 86 HZ2 LYS 86 107.571 -5.234 -2.903 698 3HZ LYS 86 HZ3 LYS 86 109.088 -4.527 -2.890 699 H GLU 87 HN GLU 87 108.883 -10.919 -6.553 700 HA GLU 87 HA GLU 87 106.973 -12.762 -5.720 701 1HB GLU 87 HB2 GLU 87 106.781 -11.338 -7.728 702 2HB GLU 87 HB1 GLU 87 108.022 -12.297 -8.517 703 1HG GLU 87 HG2 GLU 87 105.877 -12.947 -9.339 704 2HG GLU 87 HG1 GLU 87 106.572 -14.249 -8.369 705 H VAL 88 HN VAL 88 109.869 -13.335 -7.690 706 HA VAL 88 HA VAL 88 109.530 -16.111 -7.877 707 HB VAL 88 HB VAL 88 112.072 -14.465 -8.169 708 1HG1 VAL 88 HG11 VAL 88 111.519 -17.301 -9.074 709 2HG1 VAL 88 HG12 VAL 88 112.603 -16.837 -7.763 710 3HG1 VAL 88 HG13 VAL 88 112.978 -16.369 -9.420 711 1HG2 VAL 88 HG21 VAL 88 110.277 -13.851 -9.705 712 2HG2 VAL 88 HG22 VAL 88 110.121 -15.525 -10.210 713 3HG2 VAL 88 HG23 VAL 88 111.603 -14.632 -10.571 714 H ILE 89 HN ILE 89 111.187 -14.127 -5.505 715 HA ILE 89 HA ILE 89 112.423 -16.214 -4.062 716 HB ILE 89 HB ILE 89 111.429 -13.555 -2.995 717 1HG1 ILE 89 HG12 ILE 89 114.163 -14.316 -4.042 718 2HG1 ILE 89 HG11 ILE 89 112.989 -13.312 -4.885 719 1HG2 ILE 89 HG21 ILE 89 113.533 -15.418 -1.853 720 2HG2 ILE 89 HG22 ILE 89 111.895 -15.192 -1.227 721 3HG2 ILE 89 HG23 ILE 89 113.028 -13.852 -1.194 722 1HD1 ILE 89 HD11 ILE 89 114.581 -11.856 -3.898 723 2HD1 ILE 89 HD12 ILE 89 114.473 -12.710 -2.365 724 3HD1 ILE 89 HD13 ILE 89 113.110 -11.744 -2.902 725 H THR 90 HN THR 90 109.249 -14.614 -3.671 726 HA THR 90 HA THR 90 108.467 -16.014 -1.374 727 HB THR 90 HB THR 90 106.147 -15.378 -1.848 728 HG1 THR 90 HG1 THR 90 107.085 -15.043 -4.503 729 1HG2 THR 90 HG21 THR 90 107.618 -13.572 -1.056 730 2HG2 THR 90 HG22 THR 90 106.368 -12.957 -2.145 731 3HG2 THR 90 HG23 THR 90 108.014 -13.175 -2.731 732 H ASN 91 HN ASN 91 108.500 -16.973 -4.667 733 HA ASN 91 HA ASN 91 106.818 -19.316 -4.249 734 1HB ASN 91 HB2 ASN 91 108.229 -18.267 -6.697 735 2HB ASN 91 HB1 ASN 91 107.208 -19.699 -6.664 736 1HD2 ASN 91 HD21 ASN 91 107.013 -17.117 -8.070 737 2HD2 ASN 91 HD22 ASN 91 105.454 -16.494 -7.685 738 H SER 92 HN SER 92 110.151 -18.536 -4.107 739 HA SER 92 HA SER 92 110.816 -21.379 -4.498 740 1HB SER 92 HB2 SER 92 112.599 -19.024 -5.076 741 2HB SER 92 HB1 SER 92 112.897 -20.719 -5.470 742 HG SER 92 HG SER 92 111.099 -18.891 -6.577 743 H ILE 93 HN ILE 93 110.351 -19.407 -2.057 744 HA ILE 93 HA ILE 93 112.898 -19.555 -0.716 745 HB ILE 93 HB ILE 93 111.267 -17.676 -0.300 746 1HG1 ILE 93 HG12 ILE 93 111.572 -17.582 2.150 747 2HG1 ILE 93 HG11 ILE 93 112.069 -19.268 2.158 748 1HG2 ILE 93 HG21 ILE 93 109.219 -18.918 -0.302 749 2HG2 ILE 93 HG22 ILE 93 109.367 -18.059 1.241 750 3HG2 ILE 93 HG23 ILE 93 109.706 -19.799 1.133 751 1HD1 ILE 93 HD11 ILE 93 113.964 -18.613 0.630 752 2HD1 ILE 93 HD12 ILE 93 114.052 -17.895 2.224 753 3HD1 ILE 93 HD13 ILE 93 113.482 -16.929 0.861 754 H THR 94 HN THR 94 110.100 -21.409 -0.987 755 HA THR 94 HA THR 94 110.199 -23.160 1.142 756 HB THR 94 HB THR 94 108.372 -23.110 -0.487 757 HG1 THR 94 HG1 THR 94 108.762 -25.047 0.724 758 1HG2 THR 94 HG21 THR 94 110.318 -24.398 -2.415 759 2HG2 THR 94 HG22 THR 94 109.674 -22.762 -2.528 760 3HG2 THR 94 HG23 THR 94 108.594 -24.145 -2.708 761 H GLN 95 HN GLN 95 112.337 -22.993 -1.639 762 HA GLN 95 HA GLN 95 114.016 -25.043 -0.475 763 1HB GLN 95 HB2 GLN 95 113.170 -25.000 -3.383 764 2HB GLN 95 HB1 GLN 95 114.548 -25.910 -2.791 765 1HG GLN 95 HG2 GLN 95 113.076 -27.265 -1.407 766 2HG GLN 95 HG1 GLN 95 111.690 -26.317 -1.942 767 1HE2 GLN 95 HE21 GLN 95 112.299 -29.179 -2.223 768 2HE2 GLN 95 HE22 GLN 95 112.176 -29.505 -3.914 769 HA PRO 96 HA PRO 96 116.228 -21.210 -1.613 770 1HB PRO 96 HB2 PRO 96 117.543 -20.898 0.694 771 2HB PRO 96 HB1 PRO 96 115.859 -20.393 0.498 772 1HG PRO 96 HG2 PRO 96 116.962 -22.872 1.748 773 2HG PRO 96 HG1 PRO 96 115.668 -21.807 2.332 774 1HD PRO 96 HD2 PRO 96 115.161 -24.147 1.014 775 2HD PRO 96 HD1 PRO 96 114.102 -22.729 0.939 776 H THR 97 HN THR 97 118.364 -20.852 -2.034 777 HA THR 97 HA THR 97 120.276 -23.058 -1.734 778 HB THR 97 HB THR 97 121.195 -22.320 -3.917 779 HG1 THR 97 HG1 THR 97 118.887 -21.125 -4.818 780 1HG2 THR 97 HG21 THR 97 119.496 -23.403 -5.328 781 2HG2 THR 97 HG22 THR 97 118.343 -23.288 -3.979 782 3HG2 THR 97 HG23 THR 97 119.814 -24.257 -3.815 783 H LEU 98 HN LEU 98 122.406 -21.879 -2.607 784 HA LEU 98 HA LEU 98 123.113 -20.215 -0.448 785 1HB LEU 98 HB2 LEU 98 124.482 -21.781 -2.116 786 2HB LEU 98 HB1 LEU 98 124.814 -20.228 -2.864 787 HG LEU 98 HG LEU 98 125.658 -19.406 -0.689 788 1HD1 LEU 98 HD11 LEU 98 126.078 -21.063 1.085 789 2HD1 LEU 98 HD12 LEU 98 125.253 -22.284 0.104 790 3HD1 LEU 98 HD13 LEU 98 124.354 -20.920 0.722 791 1HD2 LEU 98 HD21 LEU 98 127.194 -20.301 -2.376 792 2HD2 LEU 98 HD22 LEU 98 126.963 -21.923 -1.722 793 3HD2 LEU 98 HD23 LEU 98 127.748 -20.680 -0.744 794 H HIS 99 HN HIS 99 121.714 -19.473 -3.469 795 HA HIS 99 HA HIS 99 121.985 -16.658 -2.817 796 1HB HIS 99 HB2 HIS 99 122.630 -17.814 -5.518 797 2HB HIS 99 HB1 HIS 99 122.156 -16.138 -5.318 798 HD1 HIS 99 HD1 HIS 99 123.810 -14.794 -3.495 799 HD2 HIS 99 HD2 HIS 99 125.293 -18.215 -5.347 800 HE1 HIS 99 HE1 HIS 99 126.280 -14.644 -3.299 801 HE2 HIS 99 HE2 HIS 99 127.175 -16.729 -4.363 802 H SER 100 HN SER 100 119.769 -17.857 -2.096 803 HA SER 100 HA SER 100 117.742 -17.673 -4.080 804 1HB SER 100 HB2 SER 100 117.562 -17.812 -1.048 805 2HB SER 100 HB1 SER 100 116.167 -17.809 -2.123 806 HG SER 100 HG SER 100 116.764 -19.663 -2.980 807 H PHE 101 HN PHE 101 119.487 -15.324 -2.567 808 HA PHE 101 HA PHE 101 117.417 -13.298 -3.109 809 1HB PHE 101 HB2 PHE 101 119.707 -13.046 -1.137 810 2HB PHE 101 HB1 PHE 101 118.354 -11.945 -1.349 811 HD1 PHE 101 HD1 PHE 101 119.635 -14.743 0.421 812 HD2 PHE 101 HD2 PHE 101 116.004 -12.832 -0.728 813 HE1 PHE 101 HE1 PHE 101 118.437 -15.941 2.201 814 HE2 PHE 101 HE2 PHE 101 114.816 -14.035 1.066 815 HZ PHE 101 HZ PHE 101 116.032 -15.586 2.516 816 H ASP 102 HN ASP 102 119.445 -14.609 -4.816 817 HA ASP 102 HA ASP 102 121.752 -13.002 -5.091 818 1HB ASP 102 HB2 ASP 102 121.591 -15.274 -6.021 819 2HB ASP 102 HB1 ASP 102 120.442 -14.681 -7.221 820 H ALA 103 HN ALA 103 118.742 -13.071 -6.916 821 HA ALA 103 HA ALA 103 119.486 -10.926 -8.653 822 1HB ALA 103 HB1 ALA 103 117.178 -10.967 -9.401 823 2HB ALA 103 HB2 ALA 103 116.705 -11.915 -8.005 824 3HB ALA 103 HB3 ALA 103 117.754 -12.630 -9.240 825 H ALA 104 HN ALA 104 117.932 -11.289 -5.653 826 HA ALA 104 HA ALA 104 116.819 -8.715 -5.494 827 1HB ALA 104 HB1 ALA 104 116.438 -9.237 -3.157 828 2HB ALA 104 HB2 ALA 104 117.395 -10.736 -3.324 829 3HB ALA 104 HB3 ALA 104 115.904 -10.484 -4.273 830 H GLN 105 HN GLN 105 119.880 -10.084 -4.505 831 HA GLN 105 HA GLN 105 120.868 -7.875 -3.108 832 1HB GLN 105 HB2 GLN 105 122.002 -10.022 -3.031 833 2HB GLN 105 HB1 GLN 105 122.341 -9.939 -4.752 834 1HG GLN 105 HG2 GLN 105 123.777 -8.012 -4.401 835 2HG GLN 105 HG1 GLN 105 123.413 -8.044 -2.680 836 1HE2 GLN 105 HE21 GLN 105 125.125 -9.516 -5.257 837 2HE2 GLN 105 HE22 GLN 105 126.151 -10.521 -4.287 838 H SER 106 HN SER 106 120.772 -8.601 -6.565 839 HA SER 106 HA SER 106 122.499 -6.432 -7.248 840 1HB SER 106 HB2 SER 106 120.674 -8.100 -8.993 841 2HB SER 106 HB1 SER 106 122.008 -7.080 -9.545 842 HG SER 106 HG SER 106 122.169 -9.595 -8.904 843 H ARG 107 HN ARG 107 119.124 -7.059 -6.984 844 HA ARG 107 HA ARG 107 118.077 -4.676 -8.115 845 1HB ARG 107 HB2 ARG 107 117.106 -6.918 -6.502 846 2HB ARG 107 HB1 ARG 107 116.243 -5.408 -6.282 847 1HG ARG 107 HG2 ARG 107 115.286 -6.918 -7.915 848 2HG ARG 107 HG1 ARG 107 115.664 -5.317 -8.583 849 1HD ARG 107 HD2 ARG 107 117.801 -6.390 -9.455 850 2HD ARG 107 HD1 ARG 107 117.097 -7.941 -8.992 851 HE ARG 107 HE ARG 107 115.193 -6.716 -10.503 852 1HH1 ARG 107 HH11 ARG 107 118.465 -7.980 -11.015 853 2HH1 ARG 107 HH12 ARG 107 118.362 -7.977 -12.701 854 1HH2 ARG 107 HH21 ARG 107 115.026 -6.778 -12.893 855 2HH2 ARG 107 HH22 ARG 107 116.356 -7.377 -13.770 856 H VAL 108 HN VAL 108 119.011 -5.538 -4.869 857 HA VAL 108 HA VAL 108 118.218 -3.037 -3.806 858 HB VAL 108 HB VAL 108 119.850 -5.322 -2.706 859 1HG1 VAL 108 HG11 VAL 108 119.751 -4.210 -0.554 860 2HG1 VAL 108 HG12 VAL 108 118.926 -2.838 -1.296 861 3HG1 VAL 108 HG13 VAL 108 120.607 -3.170 -1.702 862 1HG2 VAL 108 HG21 VAL 108 117.124 -4.223 -2.112 863 2HG2 VAL 108 HG22 VAL 108 117.865 -5.640 -1.352 864 3HG2 VAL 108 HG23 VAL 108 117.482 -5.650 -3.076 865 H TYR 109 HN TYR 109 121.274 -4.390 -4.856 866 HA TYR 109 HA TYR 109 122.920 -2.272 -4.196 867 1HB TYR 109 HB2 TYR 109 124.143 -4.053 -4.869 868 2HB TYR 109 HB1 TYR 109 123.019 -4.534 -6.115 869 HD1 TYR 109 HD1 TYR 109 126.050 -2.698 -5.312 870 HD2 TYR 109 HD2 TYR 109 123.166 -3.406 -8.349 871 HE1 TYR 109 HE1 TYR 109 127.586 -1.768 -6.984 872 HE2 TYR 109 HE2 TYR 109 124.624 -2.487 -10.014 873 HH TYR 109 HH TYR 109 126.555 -0.950 -10.134 874 H GLN 110 HN GLN 110 121.003 -2.745 -7.154 875 HA GLN 110 HA GLN 110 121.859 -0.291 -8.301 876 1HB GLN 110 HB2 GLN 110 119.980 -0.630 -9.925 877 2HB GLN 110 HB1 GLN 110 121.069 -2.007 -9.785 878 1HG GLN 110 HG2 GLN 110 119.532 -3.110 -8.334 879 2HG GLN 110 HG1 GLN 110 118.454 -1.739 -8.373 880 1HE2 GLN 110 HE21 GLN 110 120.159 -3.172 -11.120 881 2HE2 GLN 110 HE22 GLN 110 118.716 -3.695 -11.922 882 H LEU 111 HN LEU 111 119.300 -1.101 -6.062 883 HA LEU 111 HA LEU 111 117.601 1.093 -6.240 884 1HB LEU 111 HB2 LEU 111 118.497 -0.530 -3.880 885 2HB LEU 111 HB1 LEU 111 117.397 0.811 -3.691 886 HG LEU 111 HG LEU 111 116.831 -1.597 -5.414 887 1HD1 LEU 111 HD11 LEU 111 115.392 -2.310 -3.568 888 2HD1 LEU 111 HD12 LEU 111 115.928 -0.931 -2.608 889 3HD1 LEU 111 HD13 LEU 111 117.072 -2.202 -3.034 890 1HD2 LEU 111 HD21 LEU 111 114.544 -0.746 -5.301 891 2HD2 LEU 111 HD22 LEU 111 115.628 0.436 -6.031 892 3HD2 LEU 111 HD23 LEU 111 115.101 0.638 -4.359 893 H MET 112 HN MET 112 120.262 0.720 -3.926 894 HA MET 112 HA MET 112 120.113 3.547 -3.582 895 1HB MET 112 HB2 MET 112 122.105 3.105 -1.898 896 2HB MET 112 HB1 MET 112 120.423 2.864 -1.466 897 1HG MET 112 HG2 MET 112 121.855 1.105 -0.653 898 2HG MET 112 HG1 MET 112 120.674 0.498 -1.801 899 1HE MET 112 HE1 MET 112 122.041 -1.749 -1.851 900 2HE MET 112 HE2 MET 112 123.233 -1.064 -0.743 901 3HE MET 112 HE3 MET 112 123.759 -1.812 -2.252 902 H GLU 113 HN GLU 113 121.924 1.614 -5.571 903 HA GLU 113 HA GLU 113 124.164 3.247 -5.931 904 1HB GLU 113 HB2 GLU 113 123.636 0.951 -6.965 905 2HB GLU 113 HB1 GLU 113 122.631 1.800 -8.115 906 1HG GLU 113 HG2 GLU 113 125.586 2.288 -7.800 907 2HG GLU 113 HG1 GLU 113 124.907 1.104 -8.905 908 H GLN 114 HN GLN 114 121.185 3.223 -7.909 909 HA GLN 114 HA GLN 114 121.865 5.722 -9.139 910 1HB GLN 114 HB2 GLN 114 119.719 5.564 -10.290 911 2HB GLN 114 HB1 GLN 114 120.603 4.048 -10.376 912 1HG GLN 114 HG2 GLN 114 119.197 3.082 -8.677 913 2HG GLN 114 HG1 GLN 114 118.378 4.623 -8.438 914 1HE2 GLN 114 HE21 GLN 114 118.746 1.873 -10.509 915 2HE2 GLN 114 HE22 GLN 114 117.364 2.178 -11.494 916 H ASP 115 HN ASP 115 120.307 5.041 -6.215 917 HA ASP 115 HA ASP 115 119.004 7.665 -6.305 918 1HB ASP 115 HB2 ASP 115 117.480 5.813 -5.824 919 2HB ASP 115 HB1 ASP 115 118.438 5.382 -4.412 920 H SER 116 HN SER 116 120.870 5.692 -3.959 921 HA SER 116 HA SER 116 121.216 8.085 -2.364 922 1HB SER 116 HB2 SER 116 122.006 5.240 -1.765 923 2HB SER 116 HB1 SER 116 121.997 6.593 -0.633 924 HG SER 116 HG SER 116 119.925 6.503 -0.467 925 H TYR 117 HN TYR 117 123.184 6.081 -4.518 926 HA TYR 117 HA TYR 117 125.674 6.669 -3.347 927 1HB TYR 117 HB2 TYR 117 125.565 4.796 -4.707 928 2HB TYR 117 HB1 TYR 117 124.807 5.700 -6.034 929 HD1 TYR 117 HD1 TYR 117 126.071 5.963 -7.862 930 HD2 TYR 117 HD2 TYR 117 128.042 5.835 -4.099 931 HE1 TYR 117 HE1 TYR 117 128.228 6.220 -8.991 932 HE2 TYR 117 HE2 TYR 117 130.215 6.096 -5.239 933 HH TYR 117 HH TYR 117 131.202 5.873 -7.328 934 H THR 118 HN THR 118 123.775 8.332 -5.662 935 HA THR 118 HA THR 118 125.736 10.198 -6.494 936 HB THR 118 HB THR 118 123.705 11.547 -7.194 937 HG1 THR 118 HG1 THR 118 121.724 10.725 -6.758 938 1HG2 THR 118 HG21 THR 118 124.697 9.812 -8.663 939 2HG2 THR 118 HG22 THR 118 122.950 9.935 -8.862 940 3HG2 THR 118 HG23 THR 118 123.630 8.606 -7.936 941 H ARG 119 HN ARG 119 123.297 10.207 -3.969 942 HA ARG 119 HA ARG 119 123.928 12.761 -2.907 943 1HB ARG 119 HB2 ARG 119 122.693 10.420 -1.469 944 2HB ARG 119 HB1 ARG 119 122.691 12.087 -0.924 945 1HG ARG 119 HG2 ARG 119 121.343 12.699 -2.865 946 2HG ARG 119 HG1 ARG 119 121.316 10.999 -3.351 947 1HD ARG 119 HD2 ARG 119 120.381 10.482 -1.083 948 2HD ARG 119 HD1 ARG 119 120.182 12.222 -0.859 949 HE ARG 119 HE ARG 119 118.692 12.220 -2.717 950 1HH1 ARG 119 HH11 ARG 119 119.376 9.122 -1.134 951 2HH1 ARG 119 HH12 ARG 119 118.150 8.283 -2.002 952 1HH2 ARG 119 HH21 ARG 119 116.925 11.085 -3.748 953 2HH2 ARG 119 HH22 ARG 119 116.766 9.397 -3.509 954 H PHE 120 HN PHE 120 125.064 9.514 -2.318 955 HA PHE 120 HA PHE 120 126.714 10.077 -0.159 956 1HB PHE 120 HB2 PHE 120 126.282 7.772 -0.729 957 2HB PHE 120 HB1 PHE 120 126.990 7.980 -2.326 958 HD1 PHE 120 HD1 PHE 120 127.789 7.869 1.306 959 HD2 PHE 120 HD2 PHE 120 129.285 7.685 -2.676 960 HE1 PHE 120 HE1 PHE 120 130.020 7.129 2.154 961 HE2 PHE 120 HE2 PHE 120 131.464 6.961 -1.826 962 HZ PHE 120 HZ PHE 120 131.820 6.687 0.586 963 H LEU 121 HN LEU 121 127.297 10.331 -3.632 964 HA LEU 121 HA LEU 121 129.983 11.051 -3.425 965 1HB LEU 121 HB2 LEU 121 127.977 11.740 -5.554 966 2HB LEU 121 HB1 LEU 121 129.693 12.089 -5.687 967 HG LEU 121 HG LEU 121 128.474 9.346 -5.410 968 1HD1 LEU 121 HD11 LEU 121 129.269 9.011 -7.690 969 2HD1 LEU 121 HD12 LEU 121 129.845 10.678 -7.742 970 3HD1 LEU 121 HD13 LEU 121 128.114 10.343 -7.612 971 1HD2 LEU 121 HD21 LEU 121 131.344 10.116 -5.871 972 2HD2 LEU 121 HD22 LEU 121 130.712 8.487 -5.566 973 3HD2 LEU 121 HD23 LEU 121 130.686 9.725 -4.300 974 H LYS 122 HN LYS 122 127.163 12.963 -2.949 975 HA LYS 122 HA LYS 122 128.962 15.199 -2.255 976 1HB LYS 122 HB2 LYS 122 126.279 15.178 -3.438 977 2HB LYS 122 HB1 LYS 122 126.470 16.340 -2.134 978 1HG LYS 122 HG2 LYS 122 126.924 17.344 -4.306 979 2HG LYS 122 HG1 LYS 122 128.355 17.353 -3.277 980 1HD LYS 122 HD2 LYS 122 129.123 15.301 -4.474 981 2HD LYS 122 HD1 LYS 122 127.761 15.500 -5.576 982 1HE LYS 122 HE2 LYS 122 129.924 17.524 -5.077 983 2HE LYS 122 HE1 LYS 122 129.867 16.438 -6.465 984 1HZ LYS 122 HZ1 LYS 122 127.852 18.572 -5.838 985 2HZ LYS 122 HZ2 LYS 122 127.738 17.476 -7.088 986 3HZ LYS 122 HZ3 LYS 122 128.992 18.602 -7.084 987 H SER 123 HN SER 123 127.977 12.772 -0.618 988 HA SER 123 HA SER 123 126.659 13.921 1.641 989 1HB SER 123 HB2 SER 123 127.061 11.811 2.756 990 2HB SER 123 HB1 SER 123 126.554 11.494 1.099 991 HG SER 123 HG SER 123 128.719 11.102 0.557 992 H ASP 124 HN ASP 124 127.565 14.042 3.775 993 HA ASP 124 HA ASP 124 129.878 15.667 3.959 994 1HB ASP 124 HB2 ASP 124 128.496 14.042 6.118 995 2HB ASP 124 HB1 ASP 124 129.631 15.348 6.387 996 H ILE 125 HN ILE 125 129.204 12.293 4.485 997 HA ILE 125 HA ILE 125 131.694 11.737 5.710 998 HB ILE 125 HB ILE 125 129.508 10.396 5.958 999 1HG1 ILE 125 HG12 ILE 125 131.647 9.610 6.961 1000 2HG1 ILE 125 HG11 ILE 125 130.568 8.299 6.531 1001 1HG2 ILE 125 HG21 ILE 125 130.406 9.032 3.449 1002 2HG2 ILE 125 HG22 ILE 125 128.963 10.026 3.657 1003 3HG2 ILE 125 HG23 ILE 125 129.112 8.490 4.515 1004 1HD1 ILE 125 HD11 ILE 125 133.010 9.169 5.001 1005 2HD1 ILE 125 HD12 ILE 125 131.944 7.836 4.562 1006 3HD1 ILE 125 HD13 ILE 125 132.882 7.759 6.052 1007 H TYR 126 HN TYR 126 130.546 11.427 2.360 1008 HA TYR 126 HA TYR 126 133.063 10.333 1.506 1009 1HB TYR 126 HB2 TYR 126 131.021 9.735 0.291 1010 2HB TYR 126 HB1 TYR 126 130.789 11.417 -0.166 1011 HD1 TYR 126 HD1 TYR 126 131.567 12.110 -2.284 1012 HD2 TYR 126 HD2 TYR 126 133.312 8.682 -0.459 1013 HE1 TYR 126 HE1 TYR 126 132.914 11.746 -4.272 1014 HE2 TYR 126 HE2 TYR 126 134.641 8.282 -2.460 1015 HH TYR 126 HH TYR 126 134.849 8.874 -4.648 1016 H LEU 127 HN LEU 127 131.573 13.534 1.503 1017 HA LEU 127 HA LEU 127 133.637 14.763 0.056 1018 1HB LEU 127 HB2 LEU 127 131.600 15.785 1.994 1019 2HB LEU 127 HB1 LEU 127 132.704 16.913 1.274 1020 HG LEU 127 HG LEU 127 130.508 15.280 0.034 1021 1HD1 LEU 127 HD11 LEU 127 131.060 18.229 0.077 1022 2HD1 LEU 127 HD12 LEU 127 129.849 17.366 1.025 1023 3HD1 LEU 127 HD13 LEU 127 129.701 17.449 -0.730 1024 1HD2 LEU 127 HD21 LEU 127 132.357 15.049 -1.501 1025 2HD2 LEU 127 HD22 LEU 127 132.665 16.786 -1.451 1026 3HD2 LEU 127 HD23 LEU 127 131.177 16.171 -2.179 1027 H ASP 128 HN ASP 128 133.352 13.790 3.337 1028 HA ASP 128 HA ASP 128 135.641 15.122 4.360 1029 1HB ASP 128 HB2 ASP 128 133.982 14.127 5.859 1030 2HB ASP 128 HB1 ASP 128 134.356 12.526 5.234 1031 H LEU 129 HN LEU 129 135.114 11.996 2.837 1032 HA LEU 129 HA LEU 129 137.774 11.019 3.035 1033 1HB LEU 129 HB2 LEU 129 135.986 10.373 0.665 1034 2HB LEU 129 HB1 LEU 129 137.198 9.410 1.424 1035 HG LEU 129 HG LEU 129 134.585 10.052 2.771 1036 1HD1 LEU 129 HD11 LEU 129 133.945 7.773 2.229 1037 2HD1 LEU 129 HD12 LEU 129 135.413 7.590 1.271 1038 3HD1 LEU 129 HD13 LEU 129 134.180 8.756 0.786 1039 1HD2 LEU 129 HD21 LEU 129 136.293 9.473 4.374 1040 2HD2 LEU 129 HD22 LEU 129 136.770 8.086 3.393 1041 3HD2 LEU 129 HD23 LEU 129 135.186 8.102 4.166 1042 H MET 130 HN MET 130 136.069 13.018 0.759 1043 HA MET 130 HA MET 130 138.059 13.261 -1.240 1044 1HB MET 130 HB2 MET 130 135.745 15.085 -0.580 1045 2HB MET 130 HB1 MET 130 136.788 15.294 -1.967 1046 1HG MET 130 HG2 MET 130 135.011 12.904 -1.467 1047 2HG MET 130 HG1 MET 130 134.609 14.275 -2.488 1048 1HE MET 130 HE1 MET 130 137.767 11.037 -3.449 1049 2HE MET 130 HE2 MET 130 136.513 10.878 -2.227 1050 3HE MET 130 HE3 MET 130 137.833 12.027 -1.987 1051 H GLU 131 HN GLU 131 136.944 15.802 0.935 1052 HA GLU 131 HA GLU 131 139.643 17.005 0.775 1053 1HB GLU 131 HB2 GLU 131 137.905 18.214 -0.445 1054 2HB GLU 131 HB1 GLU 131 136.943 18.309 1.016 1055 1HG GLU 131 HG2 GLU 131 138.754 19.653 2.046 1056 2HG GLU 131 HG1 GLU 131 139.580 19.637 0.486 1057 H GLY 132 HN GLY 132 136.966 16.104 2.801 1058 1HA GLY 132 HA2 GLY 132 137.296 15.746 5.171 1059 2HA GLY 132 HA1 GLY 132 138.426 17.106 5.168 1060 H ARG 133 HN ARG 133 136.007 17.733 3.129 1061 HA ARG 133 HA ARG 133 134.813 19.773 4.771 1062 1HB ARG 133 HB2 ARG 133 135.397 20.071 2.372 1063 2HB ARG 133 HB1 ARG 133 134.217 18.842 1.957 1064 1HG ARG 133 HG2 ARG 133 132.460 20.305 2.958 1065 2HG ARG 133 HG1 ARG 133 133.695 21.554 3.150 1066 1HD ARG 133 HD2 ARG 133 132.776 20.296 0.565 1067 2HD ARG 133 HD1 ARG 133 132.445 21.936 1.113 1068 HE ARG 133 HE ARG 133 135.260 21.320 0.886 1069 1HH1 ARG 133 HH11 ARG 133 132.431 22.636 -0.841 1070 2HH1 ARG 133 HH12 ARG 133 133.387 23.266 -2.109 1071 1HH2 ARG 133 HH21 ARG 133 136.499 22.172 -0.858 1072 2HH2 ARG 133 HH22 ARG 133 135.710 23.087 -2.079 1073 HA PRO 134 HA PRO 134 131.341 17.003 5.574 1074 1HB PRO 134 HB2 PRO 134 130.065 19.179 7.014 1075 2HB PRO 134 HB1 PRO 134 130.774 17.703 7.676 1076 1HG PRO 134 HG2 PRO 134 131.834 20.195 8.073 1077 2HG PRO 134 HG1 PRO 134 132.797 18.707 8.077 1078 1HD PRO 134 HD2 PRO 134 132.426 20.715 5.883 1079 2HD PRO 134 HD1 PRO 134 133.908 19.888 6.415 Start of MODEL 13 1 1H SER 1 HT1 SER 1 138.608 1.894 9.800 2 2H SER 1 HT2 SER 1 140.126 2.569 10.192 3 3H SER 1 HT3 SER 1 139.905 1.738 8.721 4 HA SER 1 HA SER 1 138.437 3.335 7.928 5 1HB SER 1 HB2 SER 1 138.966 4.749 10.552 6 2HB SER 1 HB1 SER 1 137.999 5.379 9.215 7 HG SER 1 HG SER 1 136.571 3.644 9.485 8 H MET 2 HN MET 2 140.045 3.421 6.415 9 HA MET 2 HA MET 2 141.703 5.699 6.437 10 1HB MET 2 HB2 MET 2 143.915 4.562 6.252 11 2HB MET 2 HB1 MET 2 143.198 4.413 7.845 12 1HG MET 2 HG2 MET 2 142.490 2.115 7.273 13 2HG MET 2 HG1 MET 2 143.283 2.287 5.711 14 1HE MET 2 HE1 MET 2 144.515 3.668 9.198 15 2HE MET 2 HE2 MET 2 145.531 2.337 9.754 16 3HE MET 2 HE3 MET 2 143.786 2.113 9.607 17 H VAL 3 HN VAL 3 141.457 6.376 4.459 18 HA VAL 3 HA VAL 3 142.014 4.588 2.273 19 HB VAL 3 HB VAL 3 139.579 4.372 2.403 20 1HG1 VAL 3 HG11 VAL 3 138.074 6.294 2.227 21 2HG1 VAL 3 HG12 VAL 3 139.460 7.381 2.304 22 3HG1 VAL 3 HG13 VAL 3 139.059 6.364 3.690 23 1HG2 VAL 3 HG21 VAL 3 140.610 4.597 0.135 24 2HG2 VAL 3 HG22 VAL 3 140.159 6.320 0.159 25 3HG2 VAL 3 HG23 VAL 3 138.923 5.084 0.215 26 H SER 4 HN SER 4 143.063 5.592 0.669 27 HA SER 4 HA SER 4 143.908 8.296 1.109 28 1HB SER 4 HB2 SER 4 144.366 6.388 -1.183 29 2HB SER 4 HB1 SER 4 145.255 7.885 -0.878 30 HG SER 4 HG SER 4 145.451 6.706 1.349 31 HA PRO 5 HA PRO 5 140.688 10.502 -0.983 32 1HB PRO 5 HB2 PRO 5 143.012 11.960 -2.183 33 2HB PRO 5 HB1 PRO 5 141.541 12.609 -1.444 34 1HG PRO 5 HG2 PRO 5 143.809 12.618 -0.084 35 2HG PRO 5 HG1 PRO 5 142.285 12.193 0.717 36 1HD PRO 5 HD2 PRO 5 144.524 10.427 -0.155 37 2HD PRO 5 HD1 PRO 5 143.458 10.285 1.258 38 H GLU 6 HN GLU 6 143.516 9.407 -2.776 39 HA GLU 6 HA GLU 6 142.450 9.697 -5.385 40 1HB GLU 6 HB2 GLU 6 144.901 9.142 -4.480 41 2HB GLU 6 HB1 GLU 6 144.373 7.494 -4.770 42 1HG GLU 6 HG2 GLU 6 144.657 9.721 -6.771 43 2HG GLU 6 HG1 GLU 6 145.580 8.225 -6.676 44 H GLU 7 HN GLU 7 142.679 6.828 -3.244 45 HA GLU 7 HA GLU 7 141.275 5.159 -5.046 46 1HB GLU 7 HB2 GLU 7 142.788 4.449 -3.080 47 2HB GLU 7 HB1 GLU 7 141.375 4.720 -2.065 48 1HG GLU 7 HG2 GLU 7 140.405 3.161 -4.114 49 2HG GLU 7 HG1 GLU 7 142.011 2.506 -3.820 50 H ALA 8 HN ALA 8 140.358 7.308 -2.454 51 HA ALA 8 HA ALA 8 137.684 6.451 -2.265 52 1HB ALA 8 HB1 ALA 8 138.797 7.738 -0.484 53 2HB ALA 8 HB2 ALA 8 137.266 8.498 -0.925 54 3HB ALA 8 HB3 ALA 8 138.790 9.172 -1.501 55 H VAL 9 HN VAL 9 139.227 8.941 -4.360 56 HA VAL 9 HA VAL 9 136.760 9.778 -5.478 57 HB VAL 9 HB VAL 9 137.852 10.797 -7.306 58 1HG1 VAL 9 HG11 VAL 9 139.635 12.152 -6.350 59 2HG1 VAL 9 HG12 VAL 9 139.670 11.060 -4.960 60 3HG1 VAL 9 HG13 VAL 9 138.218 11.993 -5.310 61 1HG2 VAL 9 HG21 VAL 9 140.327 9.182 -6.751 62 2HG2 VAL 9 HG22 VAL 9 140.210 10.479 -7.940 63 3HG2 VAL 9 HG23 VAL 9 139.240 9.017 -8.129 64 H LYS 10 HN LYS 10 138.746 7.072 -6.059 65 HA LYS 10 HA LYS 10 137.611 6.114 -8.451 66 1HB LYS 10 HB2 LYS 10 138.791 4.610 -6.114 67 2HB LYS 10 HB1 LYS 10 138.374 3.869 -7.651 68 1HG LYS 10 HG2 LYS 10 140.321 6.139 -7.389 69 2HG LYS 10 HG1 LYS 10 140.787 4.435 -7.340 70 1HD LYS 10 HD2 LYS 10 139.852 4.097 -9.553 71 2HD LYS 10 HD1 LYS 10 139.306 5.772 -9.594 72 1HE LYS 10 HE2 LYS 10 142.143 5.067 -9.140 73 2HE LYS 10 HE1 LYS 10 141.513 5.156 -10.802 74 1HZ LYS 10 HZ1 LYS 10 141.823 7.340 -8.782 75 2HZ LYS 10 HZ2 LYS 10 140.784 7.485 -10.108 76 3HZ LYS 10 HZ3 LYS 10 142.419 7.243 -10.355 77 H TRP 11 HN TRP 11 136.574 5.904 -5.110 78 HA TRP 11 HA TRP 11 134.442 4.081 -5.436 79 1HB TRP 11 HB2 TRP 11 134.649 6.419 -3.524 80 2HB TRP 11 HB1 TRP 11 133.490 5.108 -3.406 81 HD1 TRP 11 HD1 TRP 11 136.516 3.345 -4.253 82 HE1 TRP 11 HE1 TRP 11 137.781 2.544 -2.142 83 HE3 TRP 11 HE3 TRP 11 134.166 6.213 -0.778 84 HZ2 TRP 11 HZ2 TRP 11 137.718 3.013 0.611 85 HZ3 TRP 11 HZ3 TRP 11 134.796 5.945 1.606 86 HH2 TRP 11 HH2 TRP 11 136.549 4.391 2.265 87 H GLY 12 HN GLY 12 134.884 7.366 -6.306 88 1HA GLY 12 HA2 GLY 12 132.059 7.949 -6.620 89 2HA GLY 12 HA1 GLY 12 133.397 9.059 -6.885 90 H GLU 13 HN GLU 13 134.233 6.259 -8.412 91 HA GLU 13 HA GLU 13 132.754 7.004 -10.781 92 1HB GLU 13 HB2 GLU 13 134.777 6.411 -12.176 93 2HB GLU 13 HB1 GLU 13 134.924 7.860 -11.209 94 1HG GLU 13 HG2 GLU 13 136.968 6.965 -10.827 95 2HG GLU 13 HG1 GLU 13 136.091 6.165 -9.531 96 H SER 14 HN SER 14 132.789 4.857 -8.580 97 HA SER 14 HA SER 14 131.278 3.015 -10.038 98 1HB SER 14 HB2 SER 14 133.430 2.186 -10.865 99 2HB SER 14 HB1 SER 14 134.028 2.020 -9.218 100 HG SER 14 HG SER 14 131.653 0.683 -9.928 101 H PHE 15 HN PHE 15 129.721 2.950 -8.527 102 HA PHE 15 HA PHE 15 130.016 3.011 -5.749 103 1HB PHE 15 HB2 PHE 15 127.859 3.435 -6.813 104 2HB PHE 15 HB1 PHE 15 127.817 1.807 -7.462 105 HD1 PHE 15 HD1 PHE 15 128.493 3.038 -3.987 106 HD2 PHE 15 HD2 PHE 15 125.970 0.785 -6.543 107 HE1 PHE 15 HE1 PHE 15 127.138 2.306 -2.029 108 HE2 PHE 15 HE2 PHE 15 124.632 0.072 -4.599 109 HZ PHE 15 HZ PHE 15 125.223 0.843 -2.360 110 H ASP 16 HN ASP 16 130.269 0.402 -8.020 111 HA ASP 16 HA ASP 16 130.120 -1.806 -6.340 112 1HB ASP 16 HB2 ASP 16 130.184 -2.056 -8.748 113 2HB ASP 16 HB1 ASP 16 131.823 -1.416 -8.800 114 H LYS 17 HN LYS 17 133.002 0.160 -7.164 115 HA LYS 17 HA LYS 17 134.608 -1.577 -5.523 116 1HB LYS 17 HB2 LYS 17 136.516 -0.091 -5.996 117 2HB LYS 17 HB1 LYS 17 135.701 -0.609 -7.458 118 1HG LYS 17 HG2 LYS 17 134.564 1.564 -7.553 119 2HG LYS 17 HG1 LYS 17 135.459 2.065 -6.121 120 1HD LYS 17 HD2 LYS 17 136.528 2.914 -8.130 121 2HD LYS 17 HD1 LYS 17 137.566 1.744 -7.320 122 1HE LYS 17 HE2 LYS 17 136.993 0.045 -8.928 123 2HE LYS 17 HE1 LYS 17 135.776 1.094 -9.662 124 1HZ LYS 17 HZ1 LYS 17 137.873 1.040 -10.934 125 2HZ LYS 17 HZ2 LYS 17 138.690 1.682 -9.599 126 3HZ LYS 17 HZ3 LYS 17 137.452 2.578 -10.361 127 H LEU 18 HN LEU 18 132.980 1.400 -5.114 128 HA LEU 18 HA LEU 18 133.965 2.283 -2.641 129 1HB LEU 18 HB2 LEU 18 132.410 3.649 -3.783 130 2HB LEU 18 HB1 LEU 18 131.276 2.336 -3.993 131 HG LEU 18 HG LEU 18 130.725 2.452 -1.577 132 1HD1 LEU 18 HD11 LEU 18 132.808 3.388 -0.753 133 2HD1 LEU 18 HD12 LEU 18 131.429 4.384 -0.286 134 3HD1 LEU 18 HD13 LEU 18 132.481 4.891 -1.609 135 1HD2 LEU 18 HD21 LEU 18 129.492 4.544 -1.683 136 2HD2 LEU 18 HD22 LEU 18 129.377 3.624 -3.183 137 3HD2 LEU 18 HD23 LEU 18 130.441 5.028 -3.088 138 H LEU 19 HN LEU 19 131.375 0.148 -3.466 139 HA LEU 19 HA LEU 19 130.515 -0.523 -0.885 140 1HB LEU 19 HB2 LEU 19 129.450 -0.454 -3.219 141 2HB LEU 19 HB1 LEU 19 130.067 -2.079 -3.364 142 HG LEU 19 HG LEU 19 128.690 -2.794 -1.511 143 1HD1 LEU 19 HD11 LEU 19 127.851 0.123 -1.449 144 2HD1 LEU 19 HD12 LEU 19 128.735 -0.713 -0.176 145 3HD1 LEU 19 HD13 LEU 19 127.077 -1.163 -0.530 146 1HD2 LEU 19 HD21 LEU 19 127.813 -2.796 -3.785 147 2HD2 LEU 19 HD22 LEU 19 127.249 -1.140 -3.577 148 3HD2 LEU 19 HD23 LEU 19 126.536 -2.438 -2.622 149 H SER 20 HN SER 20 132.775 -2.003 -3.141 150 HA SER 20 HA SER 20 132.909 -4.477 -1.648 151 1HB SER 20 HB2 SER 20 134.584 -3.571 -3.995 152 2HB SER 20 HB1 SER 20 134.447 -5.219 -3.375 153 HG SER 20 HG SER 20 132.555 -3.627 -4.692 154 H HIS 21 HN HIS 21 134.135 -1.550 -1.021 155 HA HIS 21 HA HIS 21 136.686 -2.561 0.086 156 1HB HIS 21 HB2 HIS 21 136.439 -0.407 -1.493 157 2HB HIS 21 HB1 HIS 21 135.842 0.329 -0.026 158 HD1 HIS 21 HD1 HIS 21 137.620 1.146 1.676 159 HD2 HIS 21 HD2 HIS 21 139.196 -1.141 -1.412 160 HE1 HIS 21 HE1 HIS 21 140.071 1.430 1.823 161 HE2 HIS 21 HE2 HIS 21 140.757 0.618 -0.392 162 H ARG 22 HN ARG 22 136.646 -2.702 2.360 163 HA ARG 22 HA ARG 22 134.124 -2.559 3.632 164 1HB ARG 22 HB2 ARG 22 136.859 -2.642 4.919 165 2HB ARG 22 HB1 ARG 22 135.347 -2.836 5.786 166 1HG ARG 22 HG2 ARG 22 134.879 -4.855 4.449 167 2HG ARG 22 HG1 ARG 22 136.454 -4.671 3.671 168 1HD ARG 22 HD2 ARG 22 136.625 -6.277 5.476 169 2HD ARG 22 HD1 ARG 22 137.537 -4.825 5.884 170 HE ARG 22 HE ARG 22 134.802 -5.207 6.872 171 1HH1 ARG 22 HH11 ARG 22 138.252 -4.658 7.582 172 2HH1 ARG 22 HH12 ARG 22 138.047 -4.591 9.273 173 1HH2 ARG 22 HH21 ARG 22 134.530 -5.076 9.230 174 2HH2 ARG 22 HH22 ARG 22 135.878 -4.748 10.219 175 H ASP 23 HN ASP 23 136.780 -0.306 3.555 176 HA ASP 23 HA ASP 23 135.792 1.638 5.337 177 1HB ASP 23 HB2 ASP 23 137.450 2.058 2.843 178 2HB ASP 23 HB1 ASP 23 137.124 3.306 4.034 179 H GLY 24 HN GLY 24 134.956 0.976 1.992 180 1HA GLY 24 HA2 GLY 24 133.506 3.474 1.733 181 2HA GLY 24 HA1 GLY 24 133.692 2.250 0.491 182 H LEU 25 HN LEU 25 132.905 0.046 1.899 183 HA LEU 25 HA LEU 25 130.159 0.008 1.852 184 1HB LEU 25 HB2 LEU 25 131.094 -2.093 1.863 185 2HB LEU 25 HB1 LEU 25 132.330 -1.655 3.009 186 HG LEU 25 HG LEU 25 129.520 -2.011 4.018 187 1HD1 LEU 25 HD11 LEU 25 131.495 -4.227 3.408 188 2HD1 LEU 25 HD12 LEU 25 129.979 -3.959 2.551 189 3HD1 LEU 25 HD13 LEU 25 129.958 -4.414 4.255 190 1HD2 LEU 25 HD21 LEU 25 132.253 -2.702 5.107 191 2HD2 LEU 25 HD22 LEU 25 130.737 -2.794 6.004 192 3HD2 LEU 25 HD23 LEU 25 131.392 -1.226 5.521 193 H GLU 26 HN GLU 26 132.361 0.656 4.484 194 HA GLU 26 HA GLU 26 130.398 1.134 6.423 195 1HB GLU 26 HB2 GLU 26 132.669 0.490 6.858 196 2HB GLU 26 HB1 GLU 26 133.275 2.034 6.266 197 1HG GLU 26 HG2 GLU 26 133.285 2.245 8.617 198 2HG GLU 26 HG1 GLU 26 131.847 3.112 8.091 199 H ALA 27 HN ALA 27 132.231 3.308 4.175 200 HA ALA 27 HA ALA 27 131.257 5.720 5.309 201 1HB ALA 27 HB1 ALA 27 131.803 6.811 3.174 202 2HB ALA 27 HB2 ALA 27 132.175 5.247 2.440 203 3HB ALA 27 HB3 ALA 27 133.173 5.860 3.747 204 H PHE 28 HN PHE 28 130.080 3.708 2.692 205 HA PHE 28 HA PHE 28 127.961 5.436 2.035 206 1HB PHE 28 HB2 PHE 28 128.889 3.743 0.458 207 2HB PHE 28 HB1 PHE 28 128.165 2.476 1.446 208 HD1 PHE 28 HD1 PHE 28 125.896 1.896 1.190 209 HD2 PHE 28 HD2 PHE 28 127.396 5.431 -0.625 210 HE1 PHE 28 HE1 PHE 28 123.787 2.161 -0.038 211 HE2 PHE 28 HE2 PHE 28 125.289 5.700 -1.856 212 HZ PHE 28 HZ PHE 28 123.479 4.065 -1.560 213 H THR 29 HN THR 29 128.176 2.536 4.144 214 HA THR 29 HA THR 29 125.423 2.674 4.636 215 HB THR 29 HB THR 29 126.673 0.536 5.098 216 HG1 THR 29 HG1 THR 29 125.107 0.008 6.504 217 1HG2 THR 29 HG21 THR 29 127.611 1.993 7.578 218 2HG2 THR 29 HG22 THR 29 128.638 1.471 6.243 219 3HG2 THR 29 HG23 THR 29 127.829 0.275 7.254 220 H ARG 30 HN ARG 30 128.144 4.296 6.222 221 HA ARG 30 HA ARG 30 126.779 5.319 8.464 222 1HB ARG 30 HB2 ARG 30 128.765 6.855 6.749 223 2HB ARG 30 HB1 ARG 30 128.279 7.286 8.375 224 1HG ARG 30 HG2 ARG 30 129.336 5.206 9.195 225 2HG ARG 30 HG1 ARG 30 129.879 4.873 7.547 226 1HD ARG 30 HD2 ARG 30 131.029 7.096 7.571 227 2HD ARG 30 HD1 ARG 30 130.625 7.220 9.280 228 HE ARG 30 HE ARG 30 132.441 5.269 8.052 229 1HH1 ARG 30 HH11 ARG 30 131.207 6.825 11.016 230 2HH1 ARG 30 HH12 ARG 30 132.528 6.378 11.974 231 1HH2 ARG 30 HH21 ARG 30 134.310 4.674 9.418 232 2HH2 ARG 30 HH22 ARG 30 134.335 5.137 11.056 233 H PHE 31 HN PHE 31 126.927 6.600 5.183 234 HA PHE 31 HA PHE 31 125.172 8.766 5.665 235 1HB PHE 31 HB2 PHE 31 126.728 8.769 3.774 236 2HB PHE 31 HB1 PHE 31 125.908 7.378 3.076 237 HD1 PHE 31 HD1 PHE 31 124.273 7.722 1.487 238 HD2 PHE 31 HD2 PHE 31 125.248 10.873 4.172 239 HE1 PHE 31 HE1 PHE 31 122.778 9.230 0.257 240 HE2 PHE 31 HE2 PHE 31 123.747 12.386 2.944 241 HZ PHE 31 HZ PHE 31 122.509 11.563 0.990 242 H LEU 32 HN LEU 32 124.712 5.532 4.362 243 HA LEU 32 HA LEU 32 121.992 5.678 3.711 244 1HB LEU 32 HB2 LEU 32 123.902 3.850 3.328 245 2HB LEU 32 HB1 LEU 32 123.236 3.219 4.803 246 HG LEU 32 HG LEU 32 121.062 2.824 3.700 247 1HD1 LEU 32 HD11 LEU 32 120.777 3.230 1.343 248 2HD1 LEU 32 HD12 LEU 32 122.376 3.971 1.256 249 3HD1 LEU 32 HD13 LEU 32 121.097 4.740 2.198 250 1HD2 LEU 32 HD21 LEU 32 123.439 1.806 2.138 251 2HD2 LEU 32 HD22 LEU 32 121.811 1.143 2.083 252 3HD2 LEU 32 HD23 LEU 32 122.738 1.079 3.577 253 H LYS 33 HN LYS 33 123.636 5.083 6.750 254 HA LYS 33 HA LYS 33 121.313 4.319 8.237 255 1HB LYS 33 HB2 LYS 33 123.994 5.344 9.215 256 2HB LYS 33 HB1 LYS 33 122.735 4.690 10.257 257 1HG LYS 33 HG2 LYS 33 122.980 2.532 9.086 258 2HG LYS 33 HG1 LYS 33 124.290 3.235 8.132 259 1HD LYS 33 HD2 LYS 33 125.390 3.790 10.362 260 2HD LYS 33 HD1 LYS 33 124.202 2.713 11.092 261 1HE LYS 33 HE2 LYS 33 126.329 2.032 9.070 262 2HE LYS 33 HE1 LYS 33 126.194 1.452 10.726 263 1HZ LYS 33 HZ1 LYS 33 125.456 -0.292 9.361 264 2HZ LYS 33 HZ2 LYS 33 124.645 0.728 8.355 265 3HZ LYS 33 HZ3 LYS 33 123.986 0.413 9.894 266 H THR 34 HN THR 34 123.095 7.345 7.781 267 HA THR 34 HA THR 34 121.470 8.700 9.678 268 HB THR 34 HB THR 34 123.848 9.376 9.258 269 HG1 THR 34 HG1 THR 34 122.054 10.863 10.036 270 1HG2 THR 34 HG21 THR 34 124.392 10.787 7.321 271 2HG2 THR 34 HG22 THR 34 122.758 10.551 6.696 272 3HG2 THR 34 HG23 THR 34 123.859 9.181 6.813 273 H GLU 35 HN GLU 35 121.101 8.060 6.273 274 HA GLU 35 HA GLU 35 118.904 9.939 6.321 275 1HB GLU 35 HB2 GLU 35 118.725 9.642 3.833 276 2HB GLU 35 HB1 GLU 35 120.261 10.281 4.365 277 1HG GLU 35 HG2 GLU 35 120.817 8.766 2.664 278 2HG GLU 35 HG1 GLU 35 121.088 7.844 4.144 279 H PHE 36 HN PHE 36 119.250 7.193 7.435 280 HA PHE 36 HA PHE 36 117.855 5.856 8.517 281 1HB PHE 36 HB2 PHE 36 116.362 7.999 8.366 282 2HB PHE 36 HB1 PHE 36 115.408 7.031 7.249 283 HD1 PHE 36 HD1 PHE 36 116.795 7.093 10.651 284 HD2 PHE 36 HD2 PHE 36 113.850 5.458 8.076 285 HE1 PHE 36 HE1 PHE 36 115.684 6.049 12.596 286 HE2 PHE 36 HE2 PHE 36 112.729 4.413 10.000 287 HZ PHE 36 HZ PHE 36 113.646 4.707 12.264 288 H SER 37 HN SER 37 118.793 5.162 5.749 289 HA SER 37 HA SER 37 116.722 3.217 5.190 290 1HB SER 37 HB2 SER 37 119.234 3.914 3.669 291 2HB SER 37 HB1 SER 37 118.043 2.701 3.133 292 HG SER 37 HG SER 37 118.045 5.424 3.294 293 H GLU 38 HN GLU 38 120.251 2.947 5.074 294 HA GLU 38 HA GLU 38 121.748 1.419 5.758 295 1HB GLU 38 HB2 GLU 38 121.147 2.047 8.030 296 2HB GLU 38 HB1 GLU 38 119.779 0.939 8.016 297 1HG GLU 38 HG2 GLU 38 121.370 -0.935 7.755 298 2HG GLU 38 HG1 GLU 38 122.688 0.223 7.916 299 H GLU 39 HN GLU 39 118.542 0.112 5.982 300 HA GLU 39 HA GLU 39 118.599 -2.535 5.975 301 1HB GLU 39 HB2 GLU 39 116.530 -2.414 4.561 302 2HB GLU 39 HB1 GLU 39 116.553 -1.366 5.975 303 1HG GLU 39 HG2 GLU 39 117.200 0.529 4.540 304 2HG GLU 39 HG1 GLU 39 117.119 -0.526 3.137 305 H ASN 40 HN ASN 40 119.293 -0.604 3.147 306 HA ASN 40 HA ASN 40 119.112 -2.617 1.174 307 1HB ASN 40 HB2 ASN 40 120.767 -0.101 1.150 308 2HB ASN 40 HB1 ASN 40 120.273 -1.043 -0.247 309 1HD2 ASN 40 HD21 ASN 40 118.148 -0.891 -0.971 310 2HD2 ASN 40 HD22 ASN 40 117.124 0.389 -0.413 311 H ILE 41 HN ILE 41 121.925 -1.189 2.760 312 HA ILE 41 HA ILE 41 123.745 -2.773 1.247 313 HB ILE 41 HB ILE 41 124.069 -0.415 2.164 314 1HG1 ILE 41 HG12 ILE 41 126.351 -2.363 2.641 315 2HG1 ILE 41 HG11 ILE 41 125.846 -1.730 1.088 316 1HG2 ILE 41 HG21 ILE 41 125.203 -0.290 4.433 317 2HG2 ILE 41 HG22 ILE 41 124.471 -1.869 4.799 318 3HG2 ILE 41 HG23 ILE 41 123.479 -0.527 4.405 319 1HD1 ILE 41 HD11 ILE 41 126.257 0.542 1.955 320 2HD1 ILE 41 HD12 ILE 41 127.679 -0.467 1.743 321 3HD1 ILE 41 HD13 ILE 41 127.026 -0.186 3.374 322 H GLU 42 HN GLU 42 122.446 -2.793 4.448 323 HA GLU 42 HA GLU 42 123.922 -5.011 5.389 324 1HB GLU 42 HB2 GLU 42 121.744 -3.253 6.301 325 2HB GLU 42 HB1 GLU 42 121.788 -4.855 7.012 326 1HG GLU 42 HG2 GLU 42 122.898 -2.904 8.159 327 2HG GLU 42 HG1 GLU 42 123.880 -4.442 8.066 328 H PHE 43 HN PHE 43 121.067 -4.588 3.492 329 HA PHE 43 HA PHE 43 119.671 -6.976 3.839 330 1HB PHE 43 HB2 PHE 43 118.712 -5.207 2.505 331 2HB PHE 43 HB1 PHE 43 120.067 -5.243 1.395 332 HD1 PHE 43 HD1 PHE 43 116.977 -6.845 2.414 333 HD2 PHE 43 HD2 PHE 43 120.194 -6.908 -0.351 334 HE1 PHE 43 HE1 PHE 43 115.700 -8.320 0.962 335 HE2 PHE 43 HE2 PHE 43 118.927 -8.407 -1.816 336 HZ PHE 43 HZ PHE 43 116.677 -9.119 -1.164 337 H TRP 44 HN TRP 44 122.015 -6.182 1.260 338 HA TRP 44 HA TRP 44 122.131 -9.001 0.916 339 1HB TRP 44 HB2 TRP 44 123.871 -8.683 -0.906 340 2HB TRP 44 HB1 TRP 44 122.272 -8.034 -1.200 341 HD1 TRP 44 HD1 TRP 44 122.351 -5.822 -2.358 342 HE1 TRP 44 HE1 TRP 44 123.955 -3.859 -2.487 343 HE3 TRP 44 HE3 TRP 44 125.896 -7.479 0.929 344 HZ2 TRP 44 HZ2 TRP 44 126.398 -3.078 -1.272 345 HZ3 TRP 44 HZ3 TRP 44 127.833 -6.051 1.392 346 HH2 TRP 44 HH2 TRP 44 128.075 -3.897 0.306 347 H ILE 45 HN ILE 45 123.875 -6.957 2.855 348 HA ILE 45 HA ILE 45 126.112 -8.580 3.222 349 HB ILE 45 HB ILE 45 124.664 -6.634 4.988 350 1HG1 ILE 45 HG12 ILE 45 127.485 -6.826 3.942 351 2HG1 ILE 45 HG11 ILE 45 126.190 -5.827 3.302 352 1HG2 ILE 45 HG21 ILE 45 126.131 -6.921 6.855 353 2HG2 ILE 45 HG22 ILE 45 126.964 -8.270 6.067 354 3HG2 ILE 45 HG23 ILE 45 125.274 -8.432 6.558 355 1HD1 ILE 45 HD11 ILE 45 126.184 -4.546 5.380 356 2HD1 ILE 45 HD12 ILE 45 127.754 -4.518 4.571 357 3HD1 ILE 45 HD13 ILE 45 127.506 -5.545 5.984 358 H ALA 46 HN ALA 46 122.885 -8.803 4.618 359 HA ALA 46 HA ALA 46 123.356 -11.176 6.100 360 1HB ALA 46 HB1 ALA 46 120.865 -11.435 5.974 361 2HB ALA 46 HB2 ALA 46 120.823 -10.000 4.949 362 3HB ALA 46 HB3 ALA 46 121.401 -9.877 6.615 363 H CYS 47 HN CYS 47 122.221 -10.507 2.837 364 HA CYS 47 HA CYS 47 121.559 -13.142 2.117 365 1HB CYS 47 HB2 CYS 47 122.353 -10.844 0.330 366 2HB CYS 47 HB1 CYS 47 121.532 -12.315 -0.188 367 HG CYS 47 HG CYS 47 120.276 -9.913 1.897 368 H GLU 48 HN GLU 48 124.601 -11.331 1.633 369 HA GLU 48 HA GLU 48 125.809 -13.546 0.317 370 1HB GLU 48 HB2 GLU 48 127.305 -11.231 1.611 371 2HB GLU 48 HB1 GLU 48 127.826 -12.434 0.414 372 1HG GLU 48 HG2 GLU 48 125.658 -10.490 -0.199 373 2HG GLU 48 HG1 GLU 48 127.366 -10.135 -0.463 374 H ASP 49 HN ASP 49 125.623 -12.402 3.651 375 HA ASP 49 HA ASP 49 127.548 -14.141 4.770 376 1HB ASP 49 HB2 ASP 49 126.486 -12.325 6.087 377 2HB ASP 49 HB1 ASP 49 124.950 -13.181 6.029 378 H PHE 50 HN PHE 50 124.169 -14.442 4.103 379 HA PHE 50 HA PHE 50 123.599 -17.022 4.971 380 1HB PHE 50 HB2 PHE 50 121.853 -15.508 4.372 381 2HB PHE 50 HB1 PHE 50 122.528 -15.257 2.773 382 HD1 PHE 50 HD1 PHE 50 121.851 -16.546 0.985 383 HD2 PHE 50 HD2 PHE 50 120.878 -17.689 4.934 384 HE1 PHE 50 HE1 PHE 50 120.359 -18.267 0.093 385 HE2 PHE 50 HE2 PHE 50 119.379 -19.441 4.062 386 HZ PHE 50 HZ PHE 50 119.120 -19.725 1.637 387 H LYS 51 HN LYS 51 124.820 -15.810 1.956 388 HA LYS 51 HA LYS 51 125.046 -18.215 0.516 389 1HB LYS 51 HB2 LYS 51 124.969 -16.021 -0.501 390 2HB LYS 51 HB1 LYS 51 126.448 -15.555 0.309 391 1HG LYS 51 HG2 LYS 51 127.669 -17.203 -1.036 392 2HG LYS 51 HG1 LYS 51 126.161 -17.612 -1.862 393 1HD LYS 51 HD2 LYS 51 127.419 -14.867 -1.794 394 2HD LYS 51 HD1 LYS 51 127.515 -15.998 -3.144 395 1HE LYS 51 HE2 LYS 51 125.070 -15.948 -3.349 396 2HE LYS 51 HE1 LYS 51 124.986 -14.808 -2.007 397 1HZ LYS 51 HZ1 LYS 51 126.579 -14.206 -4.416 398 2HZ LYS 51 HZ2 LYS 51 125.877 -13.129 -3.268 399 3HZ LYS 51 HZ3 LYS 51 124.921 -13.950 -4.398 400 H LYS 52 HN LYS 52 126.992 -16.803 3.023 401 HA LYS 52 HA LYS 52 129.382 -18.325 2.404 402 1HB LYS 52 HB2 LYS 52 128.754 -16.866 4.980 403 2HB LYS 52 HB1 LYS 52 130.343 -17.398 4.410 404 1HG LYS 52 HG2 LYS 52 130.071 -15.809 2.506 405 2HG LYS 52 HG1 LYS 52 128.608 -15.231 3.282 406 1HD LYS 52 HD2 LYS 52 131.431 -15.023 4.352 407 2HD LYS 52 HD1 LYS 52 130.323 -13.746 3.832 408 1HE LYS 52 HE2 LYS 52 128.860 -14.163 5.681 409 2HE LYS 52 HE1 LYS 52 129.846 -15.530 6.196 410 1HZ LYS 52 HZ1 LYS 52 130.698 -12.671 6.158 411 2HZ LYS 52 HZ2 LYS 52 131.704 -13.951 6.489 412 3HZ LYS 52 HZ3 LYS 52 130.400 -13.628 7.525 413 H SER 53 HN SER 53 126.482 -18.749 4.176 414 HA SER 53 HA SER 53 127.395 -20.710 6.004 415 1HB SER 53 HB2 SER 53 124.599 -20.154 4.974 416 2HB SER 53 HB1 SER 53 125.023 -21.013 6.455 417 HG SER 53 HG SER 53 126.246 -18.866 6.834 418 H LYS 54 HN LYS 54 127.752 -22.782 5.582 419 HA LYS 54 HA LYS 54 126.904 -23.822 2.965 420 1HB LYS 54 HB2 LYS 54 128.883 -25.290 3.068 421 2HB LYS 54 HB1 LYS 54 129.302 -23.588 3.110 422 1HG LYS 54 HG2 LYS 54 130.703 -24.314 4.732 423 2HG LYS 54 HG1 LYS 54 129.278 -24.061 5.738 424 1HD LYS 54 HD2 LYS 54 130.277 -26.206 6.252 425 2HD LYS 54 HD1 LYS 54 128.716 -26.460 5.463 426 1HE LYS 54 HE2 LYS 54 130.419 -27.979 4.576 427 2HE LYS 54 HE1 LYS 54 129.840 -26.866 3.338 428 1HZ LYS 54 HZ1 LYS 54 132.373 -26.616 4.871 429 2HZ LYS 54 HZ2 LYS 54 131.860 -25.502 3.716 430 3HZ LYS 54 HZ3 LYS 54 132.254 -27.069 3.256 431 H GLY 55 HN GLY 55 125.796 -23.836 5.799 432 1HA GLY 55 HA2 GLY 55 125.500 -26.724 6.170 433 2HA GLY 55 HA1 GLY 55 125.061 -25.488 7.350 434 HA PRO 56 HA PRO 56 121.839 -26.097 3.739 435 1HB PRO 56 HB2 PRO 56 120.848 -28.657 4.013 436 2HB PRO 56 HB1 PRO 56 122.071 -28.180 2.833 437 1HG PRO 56 HG2 PRO 56 122.416 -29.493 5.491 438 2HG PRO 56 HG1 PRO 56 123.262 -29.807 3.964 439 1HD PRO 56 HD2 PRO 56 124.376 -28.376 5.955 440 2HD PRO 56 HD1 PRO 56 124.695 -28.009 4.251 441 H GLN 57 HN GLN 57 121.840 -27.364 7.008 442 HA GLN 57 HA GLN 57 119.024 -27.095 7.337 443 1HB GLN 57 HB2 GLN 57 119.306 -27.462 9.694 444 2HB GLN 57 HB1 GLN 57 120.317 -28.621 8.846 445 1HG GLN 57 HG2 GLN 57 121.352 -26.066 10.080 446 2HG GLN 57 HG1 GLN 57 121.220 -27.569 10.972 447 1HE2 GLN 57 HE21 GLN 57 123.387 -27.610 11.370 448 2HE2 GLN 57 HE22 GLN 57 124.575 -27.978 10.169 449 H GLN 58 HN GLN 58 121.750 -25.001 7.630 450 HA GLN 58 HA GLN 58 120.500 -22.961 9.193 451 1HB GLN 58 HB2 GLN 58 122.673 -22.544 7.141 452 2HB GLN 58 HB1 GLN 58 122.264 -21.494 8.477 453 1HG GLN 58 HG2 GLN 58 123.683 -24.146 8.571 454 2HG GLN 58 HG1 GLN 58 124.248 -22.504 8.934 455 1HE2 GLN 58 HE21 GLN 58 124.256 -24.934 10.579 456 2HE2 GLN 58 HE22 GLN 58 123.423 -24.500 12.030 457 H ILE 59 HN ILE 59 120.924 -23.686 5.827 458 HA ILE 59 HA ILE 59 120.233 -21.377 4.559 459 HB ILE 59 HB ILE 59 119.405 -24.119 3.618 460 1HG1 ILE 59 HG12 ILE 59 121.741 -24.242 4.150 461 2HG1 ILE 59 HG11 ILE 59 121.598 -24.119 2.405 462 1HG2 ILE 59 HG21 ILE 59 119.578 -23.180 1.368 463 2HG2 ILE 59 HG22 ILE 59 120.009 -21.614 2.066 464 3HG2 ILE 59 HG23 ILE 59 118.416 -22.290 2.366 465 1HD1 ILE 59 HD11 ILE 59 123.439 -22.821 3.307 466 2HD1 ILE 59 HD12 ILE 59 122.313 -21.868 4.273 467 3HD1 ILE 59 HD13 ILE 59 122.256 -21.782 2.504 468 H HIS 60 HN HIS 60 117.985 -23.906 5.532 469 HA HIS 60 HA HIS 60 115.666 -22.622 4.471 470 1HB HIS 60 HB2 HIS 60 115.798 -24.682 6.687 471 2HB HIS 60 HB1 HIS 60 114.315 -24.140 5.916 472 HD1 HIS 60 HD1 HIS 60 113.632 -25.361 3.822 473 HD2 HIS 60 HD2 HIS 60 117.563 -26.086 4.917 474 HE1 HIS 60 HE1 HIS 60 114.442 -27.159 2.273 475 HE2 HIS 60 HE2 HIS 60 116.934 -27.185 2.712 476 H LEU 61 HN LEU 61 117.216 -22.440 7.567 477 HA LEU 61 HA LEU 61 115.098 -21.051 8.922 478 1HB LEU 61 HB2 LEU 61 118.005 -21.160 9.636 479 2HB LEU 61 HB1 LEU 61 116.638 -20.927 10.707 480 HG LEU 61 HG LEU 61 117.223 -23.467 9.221 481 1HD1 LEU 61 HD11 LEU 61 117.723 -22.784 12.099 482 2HD1 LEU 61 HD12 LEU 61 118.902 -22.814 10.789 483 3HD1 LEU 61 HD13 LEU 61 118.094 -24.319 11.262 484 1HD2 LEU 61 HD21 LEU 61 114.877 -23.155 9.762 485 2HD2 LEU 61 HD22 LEU 61 115.289 -22.851 11.454 486 3HD2 LEU 61 HD23 LEU 61 115.585 -24.443 10.736 487 H LYS 62 HN LYS 62 118.349 -20.285 7.975 488 HA LYS 62 HA LYS 62 118.363 -17.541 8.340 489 1HB LYS 62 HB2 LYS 62 119.947 -19.289 6.472 490 2HB LYS 62 HB1 LYS 62 120.234 -17.562 6.593 491 1HG LYS 62 HG2 LYS 62 120.362 -19.422 8.957 492 2HG LYS 62 HG1 LYS 62 121.766 -19.043 7.978 493 1HD LYS 62 HD2 LYS 62 121.456 -16.650 8.467 494 2HD LYS 62 HD1 LYS 62 120.044 -17.036 9.452 495 1HE LYS 62 HE2 LYS 62 121.401 -18.260 11.009 496 2HE LYS 62 HE1 LYS 62 122.814 -18.094 9.973 497 1HZ LYS 62 HZ1 LYS 62 122.887 -15.754 10.421 498 2HZ LYS 62 HZ2 LYS 62 122.720 -16.523 11.915 499 3HZ LYS 62 HZ3 LYS 62 121.407 -15.784 11.211 500 H ALA 63 HN ALA 63 117.550 -19.288 5.297 501 HA ALA 63 HA ALA 63 117.189 -16.970 3.753 502 1HB ALA 63 HB1 ALA 63 117.380 -19.278 2.777 503 2HB ALA 63 HB2 ALA 63 116.038 -18.343 2.134 504 3HB ALA 63 HB3 ALA 63 115.742 -19.577 3.367 505 H LYS 64 HN LYS 64 114.833 -18.936 5.517 506 HA LYS 64 HA LYS 64 112.651 -17.334 4.729 507 1HB LYS 64 HB2 LYS 64 112.543 -19.687 5.689 508 2HB LYS 64 HB1 LYS 64 112.750 -18.953 7.271 509 1HG LYS 64 HG2 LYS 64 110.404 -19.421 6.802 510 2HG LYS 64 HG1 LYS 64 110.687 -17.681 6.962 511 1HD LYS 64 HD2 LYS 64 110.755 -17.452 4.534 512 2HD LYS 64 HD1 LYS 64 110.530 -19.189 4.350 513 1HE LYS 64 HE2 LYS 64 108.562 -17.315 5.650 514 2HE LYS 64 HE1 LYS 64 108.471 -17.878 3.984 515 1HZ LYS 64 HZ1 LYS 64 107.037 -19.169 5.414 516 2HZ LYS 64 HZ2 LYS 64 108.310 -19.600 6.414 517 3HZ LYS 64 HZ3 LYS 64 108.263 -20.157 4.830 518 H ALA 65 HN ALA 65 114.853 -17.128 7.431 519 HA ALA 65 HA ALA 65 113.526 -15.144 8.913 520 1HB ALA 65 HB1 ALA 65 115.369 -16.487 9.804 521 2HB ALA 65 HB2 ALA 65 115.683 -14.759 9.977 522 3HB ALA 65 HB3 ALA 65 116.482 -15.679 8.699 523 H ILE 66 HN ILE 66 116.093 -14.886 6.466 524 HA ILE 66 HA ILE 66 116.187 -12.052 6.479 525 HB ILE 66 HB ILE 66 117.061 -14.019 4.334 526 1HG1 ILE 66 HG12 ILE 66 118.640 -12.601 6.499 527 2HG1 ILE 66 HG11 ILE 66 118.178 -14.295 6.512 528 1HG2 ILE 66 HG21 ILE 66 118.492 -12.176 3.487 529 2HG2 ILE 66 HG22 ILE 66 117.649 -11.061 4.581 530 3HG2 ILE 66 HG23 ILE 66 116.765 -11.892 3.293 531 1HD1 ILE 66 HD11 ILE 66 119.591 -14.605 4.451 532 2HD1 ILE 66 HD12 ILE 66 120.447 -14.157 5.910 533 3HD1 ILE 66 HD13 ILE 66 120.140 -12.928 4.692 534 H TYR 67 HN TYR 67 114.455 -14.389 4.549 535 HA TYR 67 HA TYR 67 113.137 -12.771 2.685 536 1HB TYR 67 HB2 TYR 67 113.016 -15.191 2.594 537 2HB TYR 67 HB1 TYR 67 112.215 -15.250 4.157 538 HD1 TYR 67 HD1 TYR 67 109.894 -15.009 4.335 539 HD2 TYR 67 HD2 TYR 67 111.810 -14.215 0.638 540 HE1 TYR 67 HE1 TYR 67 107.714 -14.876 3.256 541 HE2 TYR 67 HE2 TYR 67 109.668 -14.042 -0.457 542 HH TYR 67 HH TYR 67 107.249 -15.089 0.082 543 H GLU 68 HN GLU 68 111.911 -13.768 5.913 544 HA GLU 68 HA GLU 68 109.641 -12.102 5.568 545 1HB GLU 68 HB2 GLU 68 110.597 -13.551 8.009 546 2HB GLU 68 HB1 GLU 68 109.039 -12.754 7.840 547 1HG GLU 68 HG2 GLU 68 108.593 -14.242 5.879 548 2HG GLU 68 HG1 GLU 68 110.057 -15.124 6.295 549 H LYS 69 HN LYS 69 112.699 -11.457 6.724 550 HA LYS 69 HA LYS 69 111.884 -9.191 8.344 551 1HB LYS 69 HB2 LYS 69 113.775 -10.669 8.979 552 2HB LYS 69 HB1 LYS 69 114.627 -10.166 7.538 553 1HG LYS 69 HG2 LYS 69 114.931 -7.965 8.402 554 2HG LYS 69 HG1 LYS 69 113.857 -8.292 9.773 555 1HD LYS 69 HD2 LYS 69 115.408 -10.077 10.512 556 2HD LYS 69 HD1 LYS 69 116.488 -9.659 9.187 557 1HE LYS 69 HE2 LYS 69 115.676 -7.752 11.378 558 2HE LYS 69 HE1 LYS 69 117.126 -8.747 11.435 559 1HZ LYS 69 HZ1 LYS 69 116.511 -6.656 9.414 560 2HZ LYS 69 HZ2 LYS 69 117.928 -7.616 9.452 561 3HZ LYS 69 HZ3 LYS 69 117.613 -6.523 10.674 562 H PHE 70 HN PHE 70 112.724 -9.822 5.036 563 HA PHE 70 HA PHE 70 113.035 -6.949 4.541 564 1HB PHE 70 HB2 PHE 70 114.904 -9.110 3.580 565 2HB PHE 70 HB1 PHE 70 114.838 -7.507 2.874 566 HD1 PHE 70 HD1 PHE 70 116.327 -9.567 5.320 567 HD2 PHE 70 HD2 PHE 70 115.256 -5.531 4.494 568 HE1 PHE 70 HE1 PHE 70 117.982 -8.793 6.959 569 HE2 PHE 70 HE2 PHE 70 116.910 -4.750 6.135 570 HZ PHE 70 HZ PHE 70 118.279 -6.382 7.368 571 H ILE 71 HN ILE 71 113.056 -10.026 2.827 572 HA ILE 71 HA ILE 71 112.090 -9.008 0.393 573 HB ILE 71 HB ILE 71 112.153 -11.862 1.407 574 1HG1 ILE 71 HG12 ILE 71 114.326 -10.827 1.402 575 2HG1 ILE 71 HG11 ILE 71 114.228 -12.026 0.115 576 1HG2 ILE 71 HG21 ILE 71 110.754 -12.120 -0.444 577 2HG2 ILE 71 HG22 ILE 71 112.384 -12.305 -1.138 578 3HG2 ILE 71 HG23 ILE 71 111.544 -10.783 -1.321 579 1HD1 ILE 71 HD11 ILE 71 115.377 -10.037 -0.632 580 2HD1 ILE 71 HD12 ILE 71 113.978 -9.052 -0.210 581 3HD1 ILE 71 HD13 ILE 71 113.860 -10.235 -1.509 582 H GLN 72 HN GLN 72 110.481 -10.124 3.202 583 HA GLN 72 HA GLN 72 107.964 -10.681 1.997 584 1HB GLN 72 HB2 GLN 72 108.606 -11.501 4.248 585 2HB GLN 72 HB1 GLN 72 108.516 -9.838 4.847 586 1HG GLN 72 HG2 GLN 72 106.502 -11.032 5.427 587 2HG GLN 72 HG1 GLN 72 106.147 -9.770 4.252 588 1HE2 GLN 72 HE21 GLN 72 106.308 -13.143 4.831 589 2HE2 GLN 72 HE22 GLN 72 105.554 -13.660 3.371 590 H THR 73 HN THR 73 106.201 -9.380 1.752 591 HA THR 73 HA THR 73 106.763 -6.607 1.425 592 HB THR 73 HB THR 73 104.178 -8.154 1.116 593 HG1 THR 73 HG1 THR 73 104.816 -8.383 -0.985 594 1HG2 THR 73 HG21 THR 73 103.480 -6.255 -0.295 595 2HG2 THR 73 HG22 THR 73 104.991 -5.418 0.093 596 3HG2 THR 73 HG23 THR 73 103.808 -5.755 1.364 597 H ASP 74 HN ASP 74 104.614 -8.485 3.528 598 HA ASP 74 HA ASP 74 104.416 -6.199 5.318 599 1HB ASP 74 HB2 ASP 74 103.291 -9.007 5.597 600 2HB ASP 74 HB1 ASP 74 103.099 -7.751 6.809 601 H ALA 75 HN ALA 75 106.738 -6.222 5.422 602 HA ALA 75 HA ALA 75 107.772 -8.164 7.380 603 1HB ALA 75 HB1 ALA 75 109.178 -6.500 5.295 604 2HB ALA 75 HB2 ALA 75 109.081 -8.271 5.364 605 3HB ALA 75 HB3 ALA 75 110.004 -7.362 6.580 606 HA PRO 76 HA PRO 76 108.229 -4.842 10.270 607 1HB PRO 76 HB2 PRO 76 110.721 -5.363 11.315 608 2HB PRO 76 HB1 PRO 76 109.253 -6.219 11.798 609 1HG PRO 76 HG2 PRO 76 111.384 -7.048 9.872 610 2HG PRO 76 HG1 PRO 76 110.527 -8.021 11.084 611 1HD PRO 76 HD2 PRO 76 109.908 -8.110 8.476 612 2HD PRO 76 HD1 PRO 76 108.665 -8.279 9.726 613 H LYS 77 HN LYS 77 110.786 -5.518 8.006 614 HA LYS 77 HA LYS 77 111.517 -2.672 8.097 615 1HB LYS 77 HB2 LYS 77 113.397 -4.179 8.668 616 2HB LYS 77 HB1 LYS 77 113.196 -4.974 7.123 617 1HG LYS 77 HG2 LYS 77 115.044 -3.521 6.892 618 2HG LYS 77 HG1 LYS 77 113.714 -2.778 6.014 619 1HD LYS 77 HD2 LYS 77 114.542 -1.995 8.823 620 2HD LYS 77 HD1 LYS 77 115.135 -1.203 7.374 621 1HE LYS 77 HE2 LYS 77 112.251 -1.309 8.297 622 2HE LYS 77 HE1 LYS 77 113.331 0.074 8.443 623 1HZ LYS 77 HZ1 LYS 77 112.018 0.480 6.562 624 2HZ LYS 77 HZ2 LYS 77 112.142 -1.072 5.974 625 3HZ LYS 77 HZ3 LYS 77 113.479 -0.042 5.905 626 H GLU 78 HN GLU 78 111.301 -5.463 5.982 627 HA GLU 78 HA GLU 78 110.855 -5.846 3.890 628 1HB GLU 78 HB2 GLU 78 109.052 -4.768 2.731 629 2HB GLU 78 HB1 GLU 78 108.611 -4.827 4.423 630 1HG GLU 78 HG2 GLU 78 109.219 -2.457 4.634 631 2HG GLU 78 HG1 GLU 78 109.621 -2.423 2.920 632 H VAL 79 HN VAL 79 110.878 -4.839 1.555 633 HA VAL 79 HA VAL 79 113.112 -2.966 1.419 634 HB VAL 79 HB VAL 79 112.980 -5.569 -0.172 635 1HG1 VAL 79 HG11 VAL 79 115.175 -3.524 0.022 636 2HG1 VAL 79 HG12 VAL 79 114.122 -3.816 -1.375 637 3HG1 VAL 79 HG13 VAL 79 115.249 -5.067 -0.832 638 1HG2 VAL 79 HG21 VAL 79 113.484 -6.044 2.148 639 2HG2 VAL 79 HG22 VAL 79 114.814 -4.892 2.117 640 3HG2 VAL 79 HG23 VAL 79 114.878 -6.356 1.124 641 H ASN 80 HN ASN 80 113.065 -1.744 -0.476 642 HA ASN 80 HA ASN 80 110.530 -1.629 -1.904 643 1HB ASN 80 HB2 ASN 80 113.047 0.062 -2.053 644 2HB ASN 80 HB1 ASN 80 111.620 0.361 -3.032 645 1HD2 ASN 80 HD21 ASN 80 112.968 0.476 0.162 646 2HD2 ASN 80 HD22 ASN 80 111.746 1.455 0.873 647 H LEU 81 HN LEU 81 112.147 -3.881 -2.191 648 HA LEU 81 HA LEU 81 113.801 -4.067 -4.458 649 1HB LEU 81 HB2 LEU 81 113.916 -5.587 -2.706 650 2HB LEU 81 HB1 LEU 81 112.233 -6.120 -2.876 651 HG LEU 81 HG LEU 81 113.175 -6.962 -5.205 652 1HD1 LEU 81 HD11 LEU 81 115.651 -6.670 -3.560 653 2HD1 LEU 81 HD12 LEU 81 115.275 -5.816 -5.060 654 3HD1 LEU 81 HD13 LEU 81 115.513 -7.569 -5.062 655 1HD2 LEU 81 HD21 LEU 81 113.801 -9.079 -4.152 656 2HD2 LEU 81 HD22 LEU 81 112.360 -8.432 -3.380 657 3HD2 LEU 81 HD23 LEU 81 113.916 -8.293 -2.585 658 H ASP 82 HN ASP 82 113.398 -4.747 -6.486 659 HA ASP 82 HA ASP 82 111.115 -4.245 -7.910 660 1HB ASP 82 HB2 ASP 82 113.150 -4.583 -9.060 661 2HB ASP 82 HB1 ASP 82 113.359 -6.189 -8.378 662 H PHE 83 HN PHE 83 109.302 -5.307 -8.458 663 HA PHE 83 HA PHE 83 108.223 -7.156 -6.684 664 1HB PHE 83 HB2 PHE 83 106.878 -5.574 -8.018 665 2HB PHE 83 HB1 PHE 83 107.248 -6.497 -9.468 666 HD1 PHE 83 HD1 PHE 83 105.477 -6.569 -6.243 667 HD2 PHE 83 HD2 PHE 83 106.055 -8.494 -9.993 668 HE1 PHE 83 HE1 PHE 83 103.517 -7.991 -5.816 669 HE2 PHE 83 HE2 PHE 83 104.098 -9.917 -9.570 670 HZ PHE 83 HZ PHE 83 102.826 -9.665 -7.481 671 H HIS 84 HN HIS 84 109.372 -7.705 -10.039 672 HA HIS 84 HA HIS 84 108.745 -10.446 -10.020 673 1HB HIS 84 HB2 HIS 84 109.067 -9.322 -12.133 674 2HB HIS 84 HB1 HIS 84 110.717 -8.898 -11.712 675 HD1 HIS 84 HD1 HIS 84 108.745 -12.194 -12.149 676 HD2 HIS 84 HD2 HIS 84 112.497 -10.540 -12.888 677 HE1 HIS 84 HE1 HIS 84 110.021 -13.925 -13.396 678 HE2 HIS 84 HE2 HIS 84 112.330 -12.973 -13.697 679 H THR 85 HN THR 85 111.577 -8.729 -8.945 680 HA THR 85 HA THR 85 113.192 -11.000 -8.645 681 HB THR 85 HB THR 85 113.312 -8.394 -7.122 682 HG1 THR 85 HG1 THR 85 113.425 -8.194 -9.438 683 1HG2 THR 85 HG21 THR 85 115.399 -10.566 -7.581 684 2HG2 THR 85 HG22 THR 85 114.679 -10.101 -6.029 685 3HG2 THR 85 HG23 THR 85 115.712 -8.985 -6.884 686 H LYS 86 HN LYS 86 111.198 -9.241 -6.222 687 HA LYS 86 HA LYS 86 111.665 -11.195 -4.224 688 1HB LYS 86 HB2 LYS 86 109.725 -10.298 -2.954 689 2HB LYS 86 HB1 LYS 86 110.820 -9.043 -3.504 690 1HG LYS 86 HG2 LYS 86 109.302 -8.244 -5.085 691 2HG LYS 86 HG1 LYS 86 108.325 -9.710 -5.014 692 1HD LYS 86 HD2 LYS 86 107.250 -7.803 -3.862 693 2HD LYS 86 HD1 LYS 86 107.572 -9.150 -2.777 694 1HE LYS 86 HE2 LYS 86 109.526 -7.980 -1.892 695 2HE LYS 86 HE1 LYS 86 109.269 -6.657 -3.030 696 1HZ LYS 86 HZ1 LYS 86 108.379 -6.168 -0.778 697 2HZ LYS 86 HZ2 LYS 86 107.278 -7.459 -0.959 698 3HZ LYS 86 HZ3 LYS 86 107.196 -6.153 -1.988 699 H GLU 87 HN GLU 87 109.310 -10.959 -6.728 700 HA GLU 87 HA GLU 87 107.570 -13.019 -6.134 701 1HB GLU 87 HB2 GLU 87 107.182 -11.644 -8.040 702 2HB GLU 87 HB1 GLU 87 108.706 -12.115 -8.771 703 1HG GLU 87 HG2 GLU 87 107.846 -14.391 -9.040 704 2HG GLU 87 HG1 GLU 87 106.299 -13.868 -8.370 705 H VAL 88 HN VAL 88 110.648 -13.274 -7.920 706 HA VAL 88 HA VAL 88 110.552 -16.056 -8.233 707 HB VAL 88 HB VAL 88 113.042 -14.322 -8.061 708 1HG1 VAL 88 HG11 VAL 88 113.546 -16.692 -7.803 709 2HG1 VAL 88 HG12 VAL 88 114.100 -16.120 -9.384 710 3HG1 VAL 88 HG13 VAL 88 112.604 -17.055 -9.246 711 1HG2 VAL 88 HG21 VAL 88 111.501 -13.552 -9.782 712 2HG2 VAL 88 HG22 VAL 88 111.412 -15.183 -10.445 713 3HG2 VAL 88 HG23 VAL 88 112.931 -14.285 -10.508 714 H ILE 89 HN ILE 89 111.910 -14.053 -5.701 715 HA ILE 89 HA ILE 89 113.043 -16.113 -4.157 716 HB ILE 89 HB ILE 89 111.865 -13.527 -3.105 717 1HG1 ILE 89 HG12 ILE 89 114.692 -14.081 -4.024 718 2HG1 ILE 89 HG11 ILE 89 113.495 -13.186 -4.955 719 1HG2 ILE 89 HG21 ILE 89 113.538 -13.821 -1.297 720 2HG2 ILE 89 HG22 ILE 89 113.973 -15.393 -1.969 721 3HG2 ILE 89 HG23 ILE 89 112.351 -15.118 -1.327 722 1HD1 ILE 89 HD11 ILE 89 113.348 -11.595 -3.049 723 2HD1 ILE 89 HD12 ILE 89 114.891 -11.604 -3.906 724 3HD1 ILE 89 HD13 ILE 89 114.734 -12.417 -2.337 725 H THR 90 HN THR 90 109.815 -14.592 -4.026 726 HA THR 90 HA THR 90 108.899 -16.113 -1.867 727 HB THR 90 HB THR 90 106.588 -15.473 -2.539 728 HG1 THR 90 HG1 THR 90 107.833 -14.985 -4.965 729 1HG2 THR 90 HG21 THR 90 108.601 -13.233 -2.747 730 2HG2 THR 90 HG22 THR 90 107.933 -13.890 -1.259 731 3HG2 THR 90 HG23 THR 90 106.884 -13.040 -2.393 732 H ASN 91 HN ASN 91 109.358 -17.056 -5.093 733 HA ASN 91 HA ASN 91 107.689 -19.424 -4.793 734 1HB ASN 91 HB2 ASN 91 109.367 -18.385 -7.066 735 2HB ASN 91 HB1 ASN 91 108.744 -20.027 -7.070 736 1HD2 ASN 91 HD21 ASN 91 107.912 -16.638 -7.265 737 2HD2 ASN 91 HD22 ASN 91 106.307 -16.901 -7.836 738 H SER 92 HN SER 92 111.104 -18.572 -4.973 739 HA SER 92 HA SER 92 111.865 -21.363 -4.705 740 1HB SER 92 HB2 SER 92 112.866 -19.791 -6.418 741 2HB SER 92 HB1 SER 92 113.623 -18.928 -5.085 742 HG SER 92 HG SER 92 113.966 -21.638 -5.785 743 H ILE 93 HN ILE 93 110.891 -19.278 -2.482 744 HA ILE 93 HA ILE 93 113.178 -19.433 -0.694 745 HB ILE 93 HB ILE 93 111.786 -17.347 -0.769 746 1HG1 ILE 93 HG12 ILE 93 111.615 -17.023 1.706 747 2HG1 ILE 93 HG11 ILE 93 111.962 -18.737 1.906 748 1HG2 ILE 93 HG21 ILE 93 109.667 -18.909 0.684 749 2HG2 ILE 93 HG22 ILE 93 109.620 -18.475 -1.009 750 3HG2 ILE 93 HG23 ILE 93 109.620 -17.192 0.215 751 1HD1 ILE 93 HD11 ILE 93 113.976 -17.439 2.233 752 2HD1 ILE 93 HD12 ILE 93 113.757 -16.660 0.675 753 3HD1 ILE 93 HD13 ILE 93 114.128 -18.386 0.754 754 H THR 94 HN THR 94 110.173 -20.986 -1.205 755 HA THR 94 HA THR 94 110.047 -22.443 1.221 756 HB THR 94 HB THR 94 108.094 -22.133 -0.280 757 HG1 THR 94 HG1 THR 94 107.215 -24.001 0.130 758 1HG2 THR 94 HG21 THR 94 109.524 -24.031 -2.141 759 2HG2 THR 94 HG22 THR 94 109.227 -22.316 -2.422 760 3HG2 THR 94 HG23 THR 94 107.870 -23.447 -2.342 761 H GLN 95 HN GLN 95 112.012 -22.674 -1.554 762 HA GLN 95 HA GLN 95 113.228 -25.147 -0.583 763 1HB GLN 95 HB2 GLN 95 112.863 -24.495 -3.532 764 2HB GLN 95 HB1 GLN 95 113.537 -25.967 -2.854 765 1HG GLN 95 HG2 GLN 95 111.360 -26.593 -1.983 766 2HG GLN 95 HG1 GLN 95 110.673 -25.080 -2.568 767 1HE2 GLN 95 HE21 GLN 95 111.672 -28.273 -3.402 768 2HE2 GLN 95 HE22 GLN 95 111.141 -28.208 -5.049 769 HA PRO 96 HA PRO 96 115.912 -21.411 -1.189 770 1HB PRO 96 HB2 PRO 96 117.176 -21.398 1.159 771 2HB PRO 96 HB1 PRO 96 115.538 -20.781 0.975 772 1HG PRO 96 HG2 PRO 96 116.393 -23.469 1.988 773 2HG PRO 96 HG1 PRO 96 115.196 -22.352 2.670 774 1HD PRO 96 HD2 PRO 96 114.472 -24.465 1.108 775 2HD PRO 96 HD1 PRO 96 113.582 -22.935 1.136 776 H THR 97 HN THR 97 118.100 -21.136 -1.441 777 HA THR 97 HA THR 97 119.820 -23.485 -1.453 778 HB THR 97 HB THR 97 120.659 -22.598 -3.684 779 HG1 THR 97 HG1 THR 97 118.128 -21.342 -3.881 780 1HG2 THR 97 HG21 THR 97 117.834 -23.650 -3.598 781 2HG2 THR 97 HG22 THR 97 119.327 -24.598 -3.541 782 3HG2 THR 97 HG23 THR 97 118.914 -23.693 -5.002 783 H LEU 98 HN LEU 98 121.974 -22.145 -2.570 784 HA LEU 98 HA LEU 98 122.700 -20.392 -0.377 785 1HB LEU 98 HB2 LEU 98 124.295 -21.351 -2.767 786 2HB LEU 98 HB1 LEU 98 124.936 -20.320 -1.515 787 HG LEU 98 HG LEU 98 125.759 -22.485 -1.125 788 1HD1 LEU 98 HD11 LEU 98 124.892 -23.050 1.064 789 2HD1 LEU 98 HD12 LEU 98 123.526 -21.972 0.785 790 3HD1 LEU 98 HD13 LEU 98 125.163 -21.322 0.851 791 1HD2 LEU 98 HD21 LEU 98 124.353 -24.475 -0.801 792 2HD2 LEU 98 HD22 LEU 98 124.197 -23.815 -2.430 793 3HD2 LEU 98 HD23 LEU 98 122.931 -23.527 -1.234 794 H HIS 99 HN HIS 99 121.163 -19.982 -3.277 795 HA HIS 99 HA HIS 99 122.067 -17.198 -3.436 796 1HB HIS 99 HB2 HIS 99 121.832 -19.098 -5.783 797 2HB HIS 99 HB1 HIS 99 121.944 -17.351 -5.964 798 HD1 HIS 99 HD1 HIS 99 124.262 -16.246 -5.492 799 HD2 HIS 99 HD2 HIS 99 124.229 -20.388 -5.060 800 HE1 HIS 99 HE1 HIS 99 126.608 -16.877 -5.040 801 HE2 HIS 99 HE2 HIS 99 126.500 -19.288 -4.467 802 H SER 100 HN SER 100 119.654 -18.356 -2.255 803 HA SER 100 HA SER 100 117.426 -18.022 -3.875 804 1HB SER 100 HB2 SER 100 117.634 -17.641 -0.852 805 2HB SER 100 HB1 SER 100 116.152 -17.905 -1.760 806 HG SER 100 HG SER 100 117.018 -19.861 -2.482 807 H PHE 101 HN PHE 101 119.313 -15.596 -2.210 808 HA PHE 101 HA PHE 101 117.379 -13.461 -2.971 809 1HB PHE 101 HB2 PHE 101 119.694 -13.269 -1.038 810 2HB PHE 101 HB1 PHE 101 118.419 -12.088 -1.290 811 HD1 PHE 101 HD1 PHE 101 119.450 -15.073 0.419 812 HD2 PHE 101 HD2 PHE 101 116.117 -12.609 -0.514 813 HE1 PHE 101 HE1 PHE 101 118.180 -16.102 2.248 814 HE2 PHE 101 HE2 PHE 101 114.848 -13.641 1.327 815 HZ PHE 101 HZ PHE 101 115.881 -15.384 2.692 816 H ASP 102 HN ASP 102 119.493 -14.761 -4.689 817 HA ASP 102 HA ASP 102 121.771 -13.033 -4.702 818 1HB ASP 102 HB2 ASP 102 121.670 -15.488 -5.412 819 2HB ASP 102 HB1 ASP 102 121.056 -14.883 -6.946 820 H ALA 103 HN ALA 103 118.860 -13.251 -6.691 821 HA ALA 103 HA ALA 103 119.728 -11.316 -8.615 822 1HB ALA 103 HB1 ALA 103 117.473 -11.337 -9.430 823 2HB ALA 103 HB2 ALA 103 116.866 -11.979 -7.928 824 3HB ALA 103 HB3 ALA 103 117.864 -13.004 -8.982 825 H ALA 104 HN ALA 104 118.189 -11.232 -5.558 826 HA ALA 104 HA ALA 104 117.180 -8.583 -5.781 827 1HB ALA 104 HB1 ALA 104 117.478 -10.329 -3.336 828 2HB ALA 104 HB2 ALA 104 116.065 -10.168 -4.418 829 3HB ALA 104 HB3 ALA 104 116.584 -8.797 -3.449 830 H GLN 105 HN GLN 105 120.118 -9.998 -4.759 831 HA GLN 105 HA GLN 105 121.390 -8.001 -3.295 832 1HB GLN 105 HB2 GLN 105 122.367 -10.209 -3.853 833 2HB GLN 105 HB1 GLN 105 122.532 -9.700 -5.525 834 1HG GLN 105 HG2 GLN 105 123.928 -7.758 -4.457 835 2HG GLN 105 HG1 GLN 105 124.097 -8.911 -3.132 836 1HE2 GLN 105 HE21 GLN 105 125.202 -10.895 -3.542 837 2HE2 GLN 105 HE22 GLN 105 126.234 -11.014 -4.916 838 H SER 106 HN SER 106 121.198 -8.475 -6.804 839 HA SER 106 HA SER 106 122.602 -6.220 -7.648 840 1HB SER 106 HB2 SER 106 120.394 -7.680 -9.083 841 2HB SER 106 HB1 SER 106 121.742 -6.786 -9.798 842 HG SER 106 HG SER 106 123.100 -8.296 -8.602 843 H ARG 107 HN ARG 107 119.140 -6.851 -7.215 844 HA ARG 107 HA ARG 107 118.220 -4.380 -8.200 845 1HB ARG 107 HB2 ARG 107 116.928 -6.277 -6.276 846 2HB ARG 107 HB1 ARG 107 116.144 -4.853 -6.937 847 1HG ARG 107 HG2 ARG 107 117.086 -7.283 -8.432 848 2HG ARG 107 HG1 ARG 107 115.426 -6.768 -8.118 849 1HD ARG 107 HD2 ARG 107 117.464 -5.395 -9.879 850 2HD ARG 107 HD1 ARG 107 115.990 -6.205 -10.398 851 HE ARG 107 HE ARG 107 115.631 -3.971 -8.580 852 1HH1 ARG 107 HH11 ARG 107 115.449 -5.105 -11.947 853 2HH1 ARG 107 HH12 ARG 107 114.813 -3.650 -12.548 854 1HH2 ARG 107 HH21 ARG 107 114.773 -1.962 -9.401 855 2HH2 ARG 107 HH22 ARG 107 114.369 -1.793 -11.035 856 H VAL 108 HN VAL 108 119.169 -5.333 -4.982 857 HA VAL 108 HA VAL 108 118.320 -2.827 -3.932 858 HB VAL 108 HB VAL 108 119.920 -5.068 -2.686 859 1HG1 VAL 108 HG11 VAL 108 120.556 -2.903 -1.659 860 2HG1 VAL 108 HG12 VAL 108 119.580 -3.887 -0.562 861 3HG1 VAL 108 HG13 VAL 108 118.841 -2.544 -1.442 862 1HG2 VAL 108 HG21 VAL 108 117.609 -5.508 -3.206 863 2HG2 VAL 108 HG22 VAL 108 117.125 -4.043 -2.361 864 3HG2 VAL 108 HG23 VAL 108 117.834 -5.394 -1.453 865 H TYR 109 HN TYR 109 121.401 -4.156 -4.964 866 HA TYR 109 HA TYR 109 123.083 -2.099 -4.210 867 1HB TYR 109 HB2 TYR 109 124.186 -3.922 -5.123 868 2HB TYR 109 HB1 TYR 109 123.105 -4.084 -6.480 869 HD1 TYR 109 HD1 TYR 109 126.274 -2.814 -5.313 870 HD2 TYR 109 HD2 TYR 109 123.364 -2.330 -8.369 871 HE1 TYR 109 HE1 TYR 109 127.921 -1.605 -6.702 872 HE2 TYR 109 HE2 TYR 109 124.924 -1.145 -9.739 873 HH TYR 109 HH TYR 109 126.992 0.279 -9.241 874 H GLN 110 HN GLN 110 121.175 -2.356 -7.194 875 HA GLN 110 HA GLN 110 122.010 0.192 -8.168 876 1HB GLN 110 HB2 GLN 110 120.237 -0.145 -9.896 877 2HB GLN 110 HB1 GLN 110 121.358 -1.494 -9.759 878 1HG GLN 110 HG2 GLN 110 119.789 -2.739 -8.497 879 2HG GLN 110 HG1 GLN 110 118.652 -1.410 -8.457 880 1HE2 GLN 110 HE21 GLN 110 117.624 -0.867 -10.497 881 2HE2 GLN 110 HE22 GLN 110 117.466 -2.035 -11.739 882 H LEU 111 HN LEU 111 119.319 -0.955 -6.318 883 HA LEU 111 HA LEU 111 117.487 1.104 -6.409 884 1HB LEU 111 HB2 LEU 111 117.182 -1.090 -5.373 885 2HB LEU 111 HB1 LEU 111 118.313 -0.663 -4.116 886 HG LEU 111 HG LEU 111 116.723 1.025 -3.298 887 1HD1 LEU 111 HD11 LEU 111 114.908 -0.151 -5.404 888 2HD1 LEU 111 HD12 LEU 111 115.574 1.480 -5.416 889 3HD1 LEU 111 HD13 LEU 111 114.425 1.007 -4.161 890 1HD2 LEU 111 HD21 LEU 111 116.794 -1.247 -2.394 891 2HD2 LEU 111 HD22 LEU 111 115.627 -1.765 -3.603 892 3HD2 LEU 111 HD23 LEU 111 115.150 -0.597 -2.364 893 H MET 112 HN MET 112 120.153 0.630 -4.122 894 HA MET 112 HA MET 112 119.780 3.297 -3.091 895 1HB MET 112 HB2 MET 112 121.787 2.770 -1.632 896 2HB MET 112 HB1 MET 112 120.371 1.754 -1.397 897 1HG MET 112 HG2 MET 112 121.398 0.016 -2.728 898 2HG MET 112 HG1 MET 112 122.818 1.047 -2.980 899 1HE MET 112 HE1 MET 112 123.792 -1.977 -0.586 900 2HE MET 112 HE2 MET 112 123.916 -1.345 -2.234 901 3HE MET 112 HE3 MET 112 122.391 -2.035 -1.654 902 H GLU 113 HN GLU 113 121.749 1.840 -5.508 903 HA GLU 113 HA GLU 113 123.844 3.705 -5.579 904 1HB GLU 113 HB2 GLU 113 123.837 1.569 -6.876 905 2HB GLU 113 HB1 GLU 113 122.572 2.250 -7.898 906 1HG GLU 113 HG2 GLU 113 124.090 3.927 -8.750 907 2HG GLU 113 HG1 GLU 113 125.349 3.408 -7.635 908 H GLN 114 HN GLN 114 120.893 3.617 -7.542 909 HA GLN 114 HA GLN 114 121.331 6.096 -8.805 910 1HB GLN 114 HB2 GLN 114 118.968 5.920 -9.505 911 2HB GLN 114 HB1 GLN 114 119.904 4.465 -9.815 912 1HG GLN 114 HG2 GLN 114 118.987 3.441 -7.832 913 2HG GLN 114 HG1 GLN 114 118.016 4.880 -7.505 914 1HE2 GLN 114 HE21 GLN 114 116.083 3.797 -7.665 915 2HE2 GLN 114 HE22 GLN 114 115.450 3.180 -9.155 916 H ASP 115 HN ASP 115 119.866 5.371 -5.750 917 HA ASP 115 HA ASP 115 118.716 8.066 -5.643 918 1HB ASP 115 HB2 ASP 115 117.193 6.287 -5.060 919 2HB ASP 115 HB1 ASP 115 118.296 5.721 -3.806 920 H SER 116 HN SER 116 120.747 5.954 -3.635 921 HA SER 116 HA SER 116 121.211 8.204 -1.889 922 1HB SER 116 HB2 SER 116 120.423 6.089 -0.914 923 2HB SER 116 HB1 SER 116 121.864 5.278 -1.518 924 HG SER 116 HG SER 116 121.553 6.520 0.751 925 H TYR 117 HN TYR 117 123.009 6.109 -4.147 926 HA TYR 117 HA TYR 117 125.555 6.727 -3.106 927 1HB TYR 117 HB2 TYR 117 125.406 4.799 -4.407 928 2HB TYR 117 HB1 TYR 117 124.620 5.665 -5.747 929 HD1 TYR 117 HD1 TYR 117 125.874 5.959 -7.601 930 HD2 TYR 117 HD2 TYR 117 127.856 5.822 -3.848 931 HE1 TYR 117 HE1 TYR 117 128.029 6.233 -8.735 932 HE2 TYR 117 HE2 TYR 117 130.018 6.089 -4.984 933 HH TYR 117 HH TYR 117 130.991 5.850 -7.039 934 H THR 118 HN THR 118 123.626 8.259 -5.538 935 HA THR 118 HA THR 118 125.539 10.093 -6.453 936 HB THR 118 HB THR 118 123.450 11.390 -7.139 937 HG1 THR 118 HG1 THR 118 121.665 10.815 -6.275 938 1HG2 THR 118 HG21 THR 118 123.547 8.445 -7.822 939 2HG2 THR 118 HG22 THR 118 124.493 9.708 -8.608 940 3HG2 THR 118 HG23 THR 118 122.735 9.695 -8.764 941 H ARG 119 HN ARG 119 123.090 10.287 -3.939 942 HA ARG 119 HA ARG 119 123.737 12.898 -3.058 943 1HB ARG 119 HB2 ARG 119 122.262 10.659 -1.675 944 2HB ARG 119 HB1 ARG 119 122.404 12.287 -1.028 945 1HG ARG 119 HG2 ARG 119 121.262 13.164 -3.011 946 2HG ARG 119 HG1 ARG 119 121.084 11.517 -3.620 947 1HD ARG 119 HD2 ARG 119 119.996 12.503 -0.991 948 2HD ARG 119 HD1 ARG 119 119.060 12.392 -2.480 949 HE ARG 119 HE ARG 119 119.438 10.002 -2.418 950 1HH1 ARG 119 HH11 ARG 119 120.069 11.732 0.628 951 2HH1 ARG 119 HH12 ARG 119 119.581 10.434 1.616 952 1HH2 ARG 119 HH21 ARG 119 118.720 8.259 -1.042 953 2HH2 ARG 119 HH22 ARG 119 118.860 8.379 0.654 954 H PHE 120 HN PHE 120 124.795 9.706 -2.123 955 HA PHE 120 HA PHE 120 126.391 10.390 0.043 956 1HB PHE 120 HB2 PHE 120 125.992 8.072 -0.296 957 2HB PHE 120 HB1 PHE 120 126.573 8.129 -1.954 958 HD1 PHE 120 HD1 PHE 120 128.822 7.725 -2.457 959 HD2 PHE 120 HD2 PHE 120 127.680 8.299 1.607 960 HE1 PHE 120 HE1 PHE 120 131.050 7.021 -1.736 961 HE2 PHE 120 HE2 PHE 120 129.961 7.571 2.322 962 HZ PHE 120 HZ PHE 120 131.610 6.947 0.653 963 H LEU 121 HN LEU 121 127.075 10.346 -3.419 964 HA LEU 121 HA LEU 121 129.774 11.007 -3.275 965 1HB LEU 121 HB2 LEU 121 127.736 11.663 -5.367 966 2HB LEU 121 HB1 LEU 121 129.433 12.074 -5.530 967 HG LEU 121 HG LEU 121 128.320 9.293 -5.244 968 1HD1 LEU 121 HD11 LEU 121 129.566 10.751 -7.569 969 2HD1 LEU 121 HD12 LEU 121 127.858 10.392 -7.388 970 3HD1 LEU 121 HD13 LEU 121 129.017 9.066 -7.575 971 1HD2 LEU 121 HD21 LEU 121 130.557 9.715 -4.198 972 2HD2 LEU 121 HD22 LEU 121 131.140 10.219 -5.775 973 3HD2 LEU 121 HD23 LEU 121 130.587 8.556 -5.531 974 H LYS 122 HN LYS 122 126.967 13.032 -2.979 975 HA LYS 122 HA LYS 122 128.837 15.264 -2.693 976 1HB LYS 122 HB2 LYS 122 125.833 15.455 -2.878 977 2HB LYS 122 HB1 LYS 122 126.979 16.784 -2.954 978 1HG LYS 122 HG2 LYS 122 126.529 14.618 -5.006 979 2HG LYS 122 HG1 LYS 122 126.241 16.346 -5.174 980 1HD LYS 122 HD2 LYS 122 128.947 15.022 -4.861 981 2HD LYS 122 HD1 LYS 122 128.270 15.620 -6.372 982 1HE LYS 122 HE2 LYS 122 128.276 17.874 -5.502 983 2HE LYS 122 HE1 LYS 122 128.875 17.282 -3.944 984 1HZ LYS 122 HZ1 LYS 122 130.335 17.122 -6.541 985 2HZ LYS 122 HZ2 LYS 122 130.900 16.533 -5.074 986 3HZ LYS 122 HZ3 LYS 122 130.669 18.201 -5.272 987 H SER 123 HN SER 123 127.679 13.067 -0.656 988 HA SER 123 HA SER 123 126.759 14.634 1.537 989 1HB SER 123 HB2 SER 123 126.983 12.635 2.870 990 2HB SER 123 HB1 SER 123 126.372 12.153 1.288 991 HG SER 123 HG SER 123 128.433 11.461 0.730 992 H ASP 124 HN ASP 124 127.948 14.830 3.606 993 HA ASP 124 HA ASP 124 130.477 16.029 3.036 994 1HB ASP 124 HB2 ASP 124 128.853 17.031 4.631 995 2HB ASP 124 HB1 ASP 124 129.102 15.665 5.710 996 H ILE 125 HN ILE 125 129.353 13.002 4.251 997 HA ILE 125 HA ILE 125 131.766 12.281 5.585 998 HB ILE 125 HB ILE 125 129.414 11.157 5.893 999 1HG1 ILE 125 HG12 ILE 125 131.482 10.320 7.025 1000 2HG1 ILE 125 HG11 ILE 125 130.288 9.075 6.720 1001 1HG2 ILE 125 HG21 ILE 125 130.313 9.384 3.631 1002 2HG2 ILE 125 HG22 ILE 125 129.024 10.587 3.533 1003 3HG2 ILE 125 HG23 ILE 125 128.859 9.203 4.617 1004 1HD1 ILE 125 HD11 ILE 125 132.547 8.267 6.331 1005 2HD1 ILE 125 HD12 ILE 125 132.813 9.539 5.137 1006 3HD1 ILE 125 HD13 ILE 125 131.623 8.274 4.829 1007 H TYR 126 HN TYR 126 130.551 11.771 2.291 1008 HA TYR 126 HA TYR 126 132.855 10.321 1.490 1009 1HB TYR 126 HB2 TYR 126 130.781 10.098 0.221 1010 2HB TYR 126 HB1 TYR 126 130.845 11.804 -0.215 1011 HD1 TYR 126 HD1 TYR 126 131.571 12.246 -2.377 1012 HD2 TYR 126 HD2 TYR 126 133.119 8.853 -0.332 1013 HE1 TYR 126 HE1 TYR 126 132.958 11.721 -4.306 1014 HE2 TYR 126 HE2 TYR 126 134.490 8.290 -2.242 1015 HH TYR 126 HH TYR 126 134.807 8.763 -4.447 1016 H LEU 127 HN LEU 127 131.949 13.700 1.423 1017 HA LEU 127 HA LEU 127 134.253 14.477 0.021 1018 1HB LEU 127 HB2 LEU 127 132.188 15.954 1.564 1019 2HB LEU 127 HB1 LEU 127 133.697 16.775 1.235 1020 HG LEU 127 HG LEU 127 131.951 17.338 -0.401 1021 1HD1 LEU 127 HD11 LEU 127 134.260 17.476 -1.076 1022 2HD1 LEU 127 HD12 LEU 127 133.246 16.968 -2.426 1023 3HD1 LEU 127 HD13 LEU 127 134.234 15.782 -1.570 1024 1HD2 LEU 127 HD21 LEU 127 131.200 15.712 -2.044 1025 2HD2 LEU 127 HD22 LEU 127 130.735 15.245 -0.402 1026 3HD2 LEU 127 HD23 LEU 127 132.092 14.444 -1.197 1027 H ASP 128 HN ASP 128 133.729 13.743 3.340 1028 HA ASP 128 HA ASP 128 136.095 14.909 4.380 1029 1HB ASP 128 HB2 ASP 128 134.342 14.030 5.869 1030 2HB ASP 128 HB1 ASP 128 134.672 12.397 5.303 1031 H LEU 129 HN LEU 129 135.400 11.819 2.881 1032 HA LEU 129 HA LEU 129 138.027 10.712 3.081 1033 1HB LEU 129 HB2 LEU 129 136.229 10.078 0.719 1034 2HB LEU 129 HB1 LEU 129 137.345 9.111 1.592 1035 HG LEU 129 HG LEU 129 134.910 10.028 3.042 1036 1HD1 LEU 129 HD11 LEU 129 134.101 9.021 1.022 1037 2HD1 LEU 129 HD12 LEU 129 133.875 7.895 2.368 1038 3HD1 LEU 129 HD13 LEU 129 135.206 7.671 1.222 1039 1HD2 LEU 129 HD21 LEU 129 135.325 7.958 4.276 1040 2HD2 LEU 129 HD22 LEU 129 136.719 9.040 4.332 1041 3HD2 LEU 129 HD23 LEU 129 136.731 7.634 3.264 1042 H MET 130 HN MET 130 136.375 12.754 0.804 1043 HA MET 130 HA MET 130 138.251 12.785 -1.298 1044 1HB MET 130 HB2 MET 130 136.149 14.806 -0.545 1045 2HB MET 130 HB1 MET 130 137.154 14.952 -1.967 1046 1HG MET 130 HG2 MET 130 135.220 12.680 -1.452 1047 2HG MET 130 HG1 MET 130 134.877 14.115 -2.404 1048 1HE MET 130 HE1 MET 130 137.788 10.731 -3.587 1049 2HE MET 130 HE2 MET 130 136.628 10.644 -2.265 1050 3HE MET 130 HE3 MET 130 138.019 11.722 -2.146 1051 H GLU 131 HN GLU 131 137.803 14.985 1.452 1052 HA GLU 131 HA GLU 131 139.048 16.651 2.312 1053 1HB GLU 131 HB2 GLU 131 141.250 15.228 0.805 1054 2HB GLU 131 HB1 GLU 131 141.557 16.682 1.746 1055 1HG GLU 131 HG2 GLU 131 140.362 14.154 2.837 1056 2HG GLU 131 HG1 GLU 131 142.069 14.603 2.949 1057 H GLY 132 HN GLY 132 137.595 16.855 -0.074 1058 1HA GLY 132 HA2 GLY 132 138.966 18.507 -1.964 1059 2HA GLY 132 HA1 GLY 132 137.226 18.239 -1.888 1060 H ARG 133 HN ARG 133 136.866 19.005 0.788 1061 HA ARG 133 HA ARG 133 136.346 20.697 2.064 1062 1HB ARG 133 HB2 ARG 133 138.791 22.023 0.856 1063 2HB ARG 133 HB1 ARG 133 137.921 22.631 2.266 1064 1HG ARG 133 HG2 ARG 133 138.416 20.621 3.498 1065 2HG ARG 133 HG1 ARG 133 139.178 19.906 2.082 1066 1HD ARG 133 HD2 ARG 133 140.904 21.648 2.158 1067 2HD ARG 133 HD1 ARG 133 140.134 22.329 3.598 1068 HE ARG 133 HE ARG 133 140.497 19.930 4.497 1069 1HH1 ARG 133 HH11 ARG 133 142.813 21.626 2.412 1070 2HH1 ARG 133 HH12 ARG 133 144.169 20.822 3.071 1071 1HH2 ARG 133 HH21 ARG 133 142.265 18.845 5.317 1072 2HH2 ARG 133 HH22 ARG 133 143.863 19.171 4.780 1073 HA PRO 134 HA PRO 134 132.986 21.940 -0.528 1074 1HB PRO 134 HB2 PRO 134 132.875 23.838 1.771 1075 2HB PRO 134 HB1 PRO 134 131.568 22.951 0.976 1076 1HG PRO 134 HG2 PRO 134 132.829 22.110 3.272 1077 2HG PRO 134 HG1 PRO 134 131.979 21.045 2.146 1078 1HD PRO 134 HD2 PRO 134 134.785 21.108 2.736 1079 2HD PRO 134 HD1 PRO 134 133.942 20.067 1.575 Start of MODEL 14 1 1H SER 1 HT1 SER 1 143.132 7.785 11.989 2 2H SER 1 HT2 SER 1 141.836 6.738 12.255 3 3H SER 1 HT3 SER 1 141.695 7.907 11.067 4 HA SER 1 HA SER 1 143.498 6.815 9.859 5 1HB SER 1 HB2 SER 1 143.067 4.692 11.981 6 2HB SER 1 HB1 SER 1 144.184 4.599 10.614 7 HG SER 1 HG SER 1 145.453 6.128 11.498 8 H MET 2 HN MET 2 142.182 6.630 8.176 9 HA MET 2 HA MET 2 140.191 4.523 8.047 10 1HB MET 2 HB2 MET 2 139.371 7.015 8.897 11 2HB MET 2 HB1 MET 2 139.258 7.203 7.162 12 1HG MET 2 HG2 MET 2 137.823 5.120 8.812 13 2HG MET 2 HG1 MET 2 137.116 6.598 8.188 14 1HE MET 2 HE1 MET 2 135.669 3.869 7.757 15 2HE MET 2 HE2 MET 2 135.251 3.961 6.044 16 3HE MET 2 HE3 MET 2 135.111 5.393 7.066 17 H VAL 3 HN VAL 3 139.138 5.482 5.612 18 HA VAL 3 HA VAL 3 141.214 4.848 3.834 19 HB VAL 3 HB VAL 3 138.899 4.317 3.231 20 1HG1 VAL 3 HG11 VAL 3 137.796 6.167 4.325 21 2HG1 VAL 3 HG12 VAL 3 137.311 6.027 2.632 22 3HG1 VAL 3 HG13 VAL 3 138.449 7.290 3.122 23 1HG2 VAL 3 HG21 VAL 3 138.854 5.046 0.963 24 2HG2 VAL 3 HG22 VAL 3 140.554 4.803 1.392 25 3HG2 VAL 3 HG23 VAL 3 139.866 6.432 1.315 26 H SER 4 HN SER 4 142.571 5.975 2.765 27 HA SER 4 HA SER 4 143.007 8.770 3.226 28 1HB SER 4 HB2 SER 4 144.273 6.789 1.328 29 2HB SER 4 HB1 SER 4 144.920 8.370 1.773 30 HG SER 4 HG SER 4 144.991 7.654 3.917 31 HA PRO 5 HA PRO 5 140.414 10.685 0.238 32 1HB PRO 5 HB2 PRO 5 142.950 12.148 -0.374 33 2HB PRO 5 HB1 PRO 5 141.315 12.782 -0.146 34 1HG PRO 5 HG2 PRO 5 143.062 12.961 1.820 35 2HG PRO 5 HG1 PRO 5 141.383 12.502 2.160 36 1HD PRO 5 HD2 PRO 5 143.835 10.815 2.123 37 2HD PRO 5 HD1 PRO 5 142.382 10.682 3.138 38 H GLU 6 HN GLU 6 143.594 9.548 -0.774 39 HA GLU 6 HA GLU 6 143.088 9.772 -3.588 40 1HB GLU 6 HB2 GLU 6 145.351 9.508 -2.289 41 2HB GLU 6 HB1 GLU 6 145.010 7.792 -2.367 42 1HG GLU 6 HG2 GLU 6 145.455 9.670 -4.679 43 2HG GLU 6 HG1 GLU 6 146.527 8.392 -4.121 44 H GLU 7 HN GLU 7 143.131 6.997 -1.354 45 HA GLU 7 HA GLU 7 142.201 5.080 -3.190 46 1HB GLU 7 HB2 GLU 7 143.322 4.698 -0.931 47 2HB GLU 7 HB1 GLU 7 141.775 5.073 -0.186 48 1HG GLU 7 HG2 GLU 7 142.053 2.711 -0.273 49 2HG GLU 7 HG1 GLU 7 140.805 3.164 -1.438 50 H ALA 8 HN ALA 8 140.645 7.433 -1.155 51 HA ALA 8 HA ALA 8 138.009 6.442 -1.404 52 1HB ALA 8 HB1 ALA 8 138.692 7.875 0.454 53 2HB ALA 8 HB2 ALA 8 137.290 8.579 -0.367 54 3HB ALA 8 HB3 ALA 8 138.903 9.231 -0.644 55 H VAL 9 HN VAL 9 139.818 8.957 -3.293 56 HA VAL 9 HA VAL 9 137.606 9.668 -4.880 57 HB VAL 9 HB VAL 9 139.040 10.601 -6.581 58 1HG1 VAL 9 HG11 VAL 9 140.292 11.113 -3.923 59 2HG1 VAL 9 HG12 VAL 9 138.883 11.907 -4.606 60 3HG1 VAL 9 HG13 VAL 9 140.468 12.125 -5.361 61 1HG2 VAL 9 HG21 VAL 9 141.376 9.161 -5.331 62 2HG2 VAL 9 HG22 VAL 9 141.491 10.354 -6.625 63 3HG2 VAL 9 HG23 VAL 9 140.654 8.826 -6.904 64 H LYS 10 HN LYS 10 139.712 6.986 -5.052 65 HA LYS 10 HA LYS 10 139.099 5.942 -7.573 66 1HB LYS 10 HB2 LYS 10 139.685 4.537 -4.974 67 2HB LYS 10 HB1 LYS 10 139.622 3.731 -6.533 68 1HG LYS 10 HG2 LYS 10 141.474 6.017 -5.950 69 2HG LYS 10 HG1 LYS 10 141.908 4.327 -5.678 70 1HD LYS 10 HD2 LYS 10 141.441 3.856 -8.049 71 2HD LYS 10 HD1 LYS 10 141.077 5.566 -8.294 72 1HE LYS 10 HE2 LYS 10 143.639 4.699 -7.109 73 2HE LYS 10 HE1 LYS 10 143.459 4.675 -8.878 74 1HZ LYS 10 HZ1 LYS 10 144.441 6.716 -8.273 75 2HZ LYS 10 HZ2 LYS 10 143.444 6.991 -6.995 76 3HZ LYS 10 HZ3 LYS 10 142.846 7.131 -8.573 77 H TRP 11 HN TRP 11 137.273 5.857 -4.588 78 HA TRP 11 HA TRP 11 135.369 3.880 -5.309 79 1HB TRP 11 HB2 TRP 11 135.158 6.160 -3.362 80 2HB TRP 11 HB1 TRP 11 134.000 4.853 -3.482 81 HD1 TRP 11 HD1 TRP 11 136.933 2.966 -3.914 82 HE1 TRP 11 HE1 TRP 11 137.930 2.142 -1.732 83 HE3 TRP 11 HE3 TRP 11 134.476 6.090 -0.755 84 HZ2 TRP 11 HZ2 TRP 11 137.647 2.709 1.044 85 HZ3 TRP 11 HZ3 TRP 11 134.869 5.869 1.667 86 HH2 TRP 11 HH2 TRP 11 136.427 4.218 2.532 87 H GLY 12 HN GLY 12 135.770 7.123 -6.255 88 1HA GLY 12 HA2 GLY 12 132.963 7.659 -6.675 89 2HA GLY 12 HA1 GLY 12 134.304 8.731 -7.046 90 H GLU 13 HN GLU 13 135.036 5.776 -8.343 91 HA GLU 13 HA GLU 13 134.138 6.722 -10.939 92 1HB GLU 13 HB2 GLU 13 135.588 5.065 -11.949 93 2HB GLU 13 HB1 GLU 13 136.485 5.942 -10.723 94 1HG GLU 13 HG2 GLU 13 136.172 4.049 -9.184 95 2HG GLU 13 HG1 GLU 13 135.333 3.175 -10.465 96 H SER 14 HN SER 14 133.648 3.997 -8.751 97 HA SER 14 HA SER 14 131.235 3.290 -10.152 98 1HB SER 14 HB2 SER 14 133.486 1.291 -9.789 99 2HB SER 14 HB1 SER 14 131.876 0.934 -10.408 100 HG SER 14 HG SER 14 133.579 1.232 -11.979 101 H PHE 15 HN PHE 15 129.779 2.675 -8.768 102 HA PHE 15 HA PHE 15 129.998 2.805 -6.006 103 1HB PHE 15 HB2 PHE 15 127.852 3.018 -7.128 104 2HB PHE 15 HB1 PHE 15 127.940 1.355 -7.687 105 HD1 PHE 15 HD1 PHE 15 128.262 3.068 -4.368 106 HD2 PHE 15 HD2 PHE 15 126.425 -0.010 -6.657 107 HE1 PHE 15 HE1 PHE 15 126.980 2.331 -2.374 108 HE2 PHE 15 HE2 PHE 15 125.155 -0.724 -4.661 109 HZ PHE 15 HZ PHE 15 125.444 0.452 -2.544 110 H ASP 16 HN ASP 16 130.224 -0.008 -8.100 111 HA ASP 16 HA ASP 16 130.350 -2.004 -6.174 112 1HB ASP 16 HB2 ASP 16 130.237 -2.549 -8.530 113 2HB ASP 16 HB1 ASP 16 131.848 -1.888 -8.788 114 H LYS 17 HN LYS 17 133.037 0.006 -7.369 115 HA LYS 17 HA LYS 17 135.054 -1.345 -5.919 116 1HB LYS 17 HB2 LYS 17 135.780 0.036 -7.728 117 2HB LYS 17 HB1 LYS 17 134.941 1.437 -7.068 118 1HG LYS 17 HG2 LYS 17 136.444 1.720 -5.376 119 2HG LYS 17 HG1 LYS 17 137.182 0.124 -5.581 120 1HD LYS 17 HD2 LYS 17 137.342 2.457 -7.507 121 2HD LYS 17 HD1 LYS 17 138.638 1.916 -6.445 122 1HE LYS 17 HE2 LYS 17 138.626 -0.278 -7.583 123 2HE LYS 17 HE1 LYS 17 137.379 0.320 -8.673 124 1HZ LYS 17 HZ1 LYS 17 139.508 0.441 -9.695 125 2HZ LYS 17 HZ2 LYS 17 140.144 1.332 -8.407 126 3HZ LYS 17 HZ3 LYS 17 138.955 2.026 -9.421 127 H LEU 18 HN LEU 18 133.084 1.408 -5.227 128 HA LEU 18 HA LEU 18 134.081 2.236 -2.761 129 1HB LEU 18 HB2 LEU 18 132.525 3.567 -3.889 130 2HB LEU 18 HB1 LEU 18 131.410 2.240 -4.102 131 HG LEU 18 HG LEU 18 130.916 2.325 -1.666 132 1HD1 LEU 18 HD11 LEU 18 132.552 4.851 -1.785 133 2HD1 LEU 18 HD12 LEU 18 132.982 3.376 -0.916 134 3HD1 LEU 18 HD13 LEU 18 131.572 4.314 -0.420 135 1HD2 LEU 18 HD21 LEU 18 130.504 4.831 -3.240 136 2HD2 LEU 18 HD22 LEU 18 129.564 4.342 -1.820 137 3HD2 LEU 18 HD23 LEU 18 129.511 3.377 -3.304 138 H LEU 19 HN LEU 19 131.542 0.024 -3.595 139 HA LEU 19 HA LEU 19 130.701 -0.581 -0.990 140 1HB LEU 19 HB2 LEU 19 129.545 -0.597 -3.246 141 2HB LEU 19 HB1 LEU 19 130.228 -2.196 -3.427 142 HG LEU 19 HG LEU 19 129.029 -2.925 -1.434 143 1HD1 LEU 19 HD11 LEU 19 127.435 -1.389 -0.328 144 2HD1 LEU 19 HD12 LEU 19 127.782 -0.160 -1.539 145 3HD1 LEU 19 HD13 LEU 19 129.018 -0.606 -0.392 146 1HD2 LEU 19 HD21 LEU 19 128.102 -3.154 -3.676 147 2HD2 LEU 19 HD22 LEU 19 127.416 -1.538 -3.564 148 3HD2 LEU 19 HD23 LEU 19 126.819 -2.823 -2.507 149 H SER 20 HN SER 20 132.898 -2.169 -3.238 150 HA SER 20 HA SER 20 133.028 -4.599 -1.722 151 1HB SER 20 HB2 SER 20 134.810 -3.604 -3.949 152 2HB SER 20 HB1 SER 20 134.759 -5.255 -3.323 153 HG SER 20 HG SER 20 132.748 -3.813 -4.680 154 H HIS 21 HN HIS 21 134.271 -1.607 -1.183 155 HA HIS 21 HA HIS 21 136.734 -2.532 0.142 156 1HB HIS 21 HB2 HIS 21 136.317 -0.290 -1.430 157 2HB HIS 21 HB1 HIS 21 135.854 0.319 0.141 158 HD1 HIS 21 HD1 HIS 21 137.832 0.735 1.893 159 HD2 HIS 21 HD2 HIS 21 139.026 -0.781 -1.797 160 HE1 HIS 21 HE1 HIS 21 140.224 1.186 1.759 161 HE2 HIS 21 HE2 HIS 21 140.965 -0.206 -0.212 162 H ARG 22 HN ARG 22 136.300 -2.996 2.300 163 HA ARG 22 HA ARG 22 133.696 -2.589 3.271 164 1HB ARG 22 HB2 ARG 22 134.337 -3.402 5.461 165 2HB ARG 22 HB1 ARG 22 135.074 -4.391 4.224 166 1HG ARG 22 HG2 ARG 22 136.531 -2.216 5.708 167 2HG ARG 22 HG1 ARG 22 136.482 -3.894 6.233 168 1HD ARG 22 HD2 ARG 22 137.609 -2.847 3.645 169 2HD ARG 22 HD1 ARG 22 138.534 -3.425 5.032 170 HE ARG 22 HE ARG 22 136.765 -5.130 3.393 171 1HH1 ARG 22 HH11 ARG 22 139.797 -4.660 5.182 172 2HH1 ARG 22 HH12 ARG 22 140.378 -6.231 4.910 173 1HH2 ARG 22 HH21 ARG 22 137.559 -7.286 2.979 174 2HH2 ARG 22 HH22 ARG 22 139.057 -7.784 3.578 175 H ASP 23 HN ASP 23 136.442 -0.568 3.534 176 HA ASP 23 HA ASP 23 135.443 1.221 5.504 177 1HB ASP 23 HB2 ASP 23 137.247 1.988 3.208 178 2HB ASP 23 HB1 ASP 23 137.171 2.708 4.811 179 H GLY 24 HN GLY 24 134.799 0.749 2.130 180 1HA GLY 24 HA2 GLY 24 133.612 3.377 1.779 181 2HA GLY 24 HA1 GLY 24 133.794 2.148 0.542 182 H LEU 25 HN LEU 25 132.711 0.006 1.878 183 HA LEU 25 HA LEU 25 129.958 0.317 1.668 184 1HB LEU 25 HB2 LEU 25 130.454 -1.900 1.638 185 2HB LEU 25 HB1 LEU 25 131.849 -1.700 2.661 186 HG LEU 25 HG LEU 25 129.108 -1.707 3.919 187 1HD1 LEU 25 HD11 LEU 25 129.288 -4.148 4.096 188 2HD1 LEU 25 HD12 LEU 25 130.762 -4.121 3.128 189 3HD1 LEU 25 HD13 LEU 25 129.222 -3.666 2.400 190 1HD2 LEU 25 HD21 LEU 25 131.831 -2.699 4.749 191 2HD2 LEU 25 HD22 LEU 25 130.401 -2.686 5.785 192 3HD2 LEU 25 HD23 LEU 25 131.159 -1.169 5.290 193 H GLU 26 HN GLU 26 132.109 0.589 4.375 194 HA GLU 26 HA GLU 26 130.295 1.237 6.384 195 1HB GLU 26 HB2 GLU 26 132.439 0.478 6.814 196 2HB GLU 26 HB1 GLU 26 133.212 1.747 5.894 197 1HG GLU 26 HG2 GLU 26 133.579 2.294 8.186 198 2HG GLU 26 HG1 GLU 26 132.361 3.410 7.586 199 H ALA 27 HN ALA 27 132.212 3.314 4.139 200 HA ALA 27 HA ALA 27 131.279 5.769 5.156 201 1HB ALA 27 HB1 ALA 27 133.210 5.739 3.675 202 2HB ALA 27 HB2 ALA 27 131.906 6.695 2.927 203 3HB ALA 27 HB3 ALA 27 132.224 5.059 2.382 204 H PHE 28 HN PHE 28 130.080 3.695 2.582 205 HA PHE 28 HA PHE 28 128.055 5.445 1.750 206 1HB PHE 28 HB2 PHE 28 128.955 3.607 0.336 207 2HB PHE 28 HB1 PHE 28 128.140 2.446 1.381 208 HD1 PHE 28 HD1 PHE 28 127.566 5.285 -0.912 209 HD2 PHE 28 HD2 PHE 28 125.873 1.921 1.054 210 HE1 PHE 28 HE1 PHE 28 125.527 5.534 -2.259 211 HE2 PHE 28 HE2 PHE 28 123.832 2.164 -0.287 212 HZ PHE 28 HZ PHE 28 123.657 3.972 -1.945 213 H THR 29 HN THR 29 128.033 2.716 4.063 214 HA THR 29 HA THR 29 125.262 2.971 4.456 215 HB THR 29 HB THR 29 126.495 0.865 5.120 216 HG1 THR 29 HG1 THR 29 124.866 0.459 6.424 217 1HG2 THR 29 HG21 THR 29 127.384 2.514 7.494 218 2HG2 THR 29 HG22 THR 29 128.432 1.878 6.229 219 3HG2 THR 29 HG23 THR 29 127.598 0.772 7.321 220 H ARG 30 HN ARG 30 127.980 4.676 5.864 221 HA ARG 30 HA ARG 30 126.622 5.917 8.023 222 1HB ARG 30 HB2 ARG 30 128.860 7.044 6.316 223 2HB ARG 30 HB1 ARG 30 128.326 7.725 7.848 224 1HG ARG 30 HG2 ARG 30 129.534 5.009 7.428 225 2HG ARG 30 HG1 ARG 30 130.321 6.413 8.157 226 1HD ARG 30 HD2 ARG 30 128.851 6.408 9.974 227 2HD ARG 30 HD1 ARG 30 127.788 5.228 9.202 228 HE ARG 30 HE ARG 30 129.966 3.783 9.355 229 1HH1 ARG 30 HH11 ARG 30 128.525 5.841 11.866 230 2HH1 ARG 30 HH12 ARG 30 129.267 4.994 13.139 231 1HH2 ARG 30 HH21 ARG 30 130.917 2.632 11.073 232 2HH2 ARG 30 HH22 ARG 30 130.637 3.111 12.701 233 H PHE 31 HN PHE 31 126.904 6.787 4.681 234 HA PHE 31 HA PHE 31 125.321 9.135 4.825 235 1HB PHE 31 HB2 PHE 31 126.753 9.001 2.968 236 2HB PHE 31 HB1 PHE 31 126.286 7.342 2.610 237 HD1 PHE 31 HD1 PHE 31 124.593 6.868 1.123 238 HD2 PHE 31 HD2 PHE 31 125.061 10.826 2.599 239 HE1 PHE 31 HE1 PHE 31 122.892 7.643 -0.443 240 HE2 PHE 31 HE2 PHE 31 123.360 11.606 1.021 241 HZ PHE 31 HZ PHE 31 122.273 10.006 -0.492 242 H LEU 32 HN LEU 32 124.708 5.818 3.920 243 HA LEU 32 HA LEU 32 122.027 5.956 3.135 244 1HB LEU 32 HB2 LEU 32 123.909 4.137 3.049 245 2HB LEU 32 HB1 LEU 32 123.244 3.661 4.588 246 HG LEU 32 HG LEU 32 121.120 3.149 3.525 247 1HD1 LEU 32 HD11 LEU 32 122.531 3.923 0.960 248 2HD1 LEU 32 HD12 LEU 32 121.190 4.811 1.703 249 3HD1 LEU 32 HD13 LEU 32 120.942 3.168 1.102 250 1HD2 LEU 32 HD21 LEU 32 121.908 1.274 2.229 251 2HD2 LEU 32 HD22 LEU 32 122.850 1.485 3.706 252 3HD2 LEU 32 HD23 LEU 32 123.513 1.993 2.152 253 H LYS 33 HN LYS 33 123.505 5.621 6.310 254 HA LYS 33 HA LYS 33 121.142 5.192 7.819 255 1HB LYS 33 HB2 LYS 33 123.845 6.263 8.644 256 2HB LYS 33 HB1 LYS 33 122.555 5.868 9.774 257 1HG LYS 33 HG2 LYS 33 122.675 3.558 9.153 258 2HG LYS 33 HG1 LYS 33 123.823 3.931 7.866 259 1HD LYS 33 HD2 LYS 33 125.376 4.796 9.618 260 2HD LYS 33 HD1 LYS 33 124.254 4.185 10.835 261 1HE LYS 33 HE2 LYS 33 125.587 2.527 8.699 262 2HE LYS 33 HE1 LYS 33 126.103 2.622 10.380 263 1HZ LYS 33 HZ1 LYS 33 124.738 0.662 9.832 264 2HZ LYS 33 HZ2 LYS 33 123.382 1.670 9.582 265 3HZ LYS 33 HZ3 LYS 33 124.110 1.601 11.078 266 H THR 34 HN THR 34 122.931 8.154 6.937 267 HA THR 34 HA THR 34 121.533 9.733 8.784 268 HB THR 34 HB THR 34 123.734 10.501 8.012 269 HG1 THR 34 HG1 THR 34 122.126 12.545 7.036 270 1HG2 THR 34 HG21 THR 34 123.608 9.855 5.651 271 2HG2 THR 34 HG22 THR 34 124.032 11.559 5.819 272 3HG2 THR 34 HG23 THR 34 122.388 11.096 5.374 273 H GLU 35 HN GLU 35 120.687 8.852 5.527 274 HA GLU 35 HA GLU 35 118.353 10.564 5.896 275 1HB GLU 35 HB2 GLU 35 117.952 10.339 3.440 276 2HB GLU 35 HB1 GLU 35 119.408 11.203 3.878 277 1HG GLU 35 HG2 GLU 35 120.713 9.171 3.373 278 2HG GLU 35 HG1 GLU 35 119.227 8.379 2.848 279 H PHE 36 HN PHE 36 118.963 7.834 6.912 280 HA PHE 36 HA PHE 36 117.952 5.906 7.371 281 1HB PHE 36 HB2 PHE 36 115.505 7.622 6.932 282 2HB PHE 36 HB1 PHE 36 115.439 5.996 7.600 283 HD1 PHE 36 HD1 PHE 36 116.821 9.394 8.173 284 HD2 PHE 36 HD2 PHE 36 115.839 5.619 9.871 285 HE1 PHE 36 HE1 PHE 36 117.225 10.302 10.419 286 HE2 PHE 36 HE2 PHE 36 116.238 6.522 12.121 287 HZ PHE 36 HZ PHE 36 116.935 8.866 12.398 288 H SER 37 HN SER 37 118.883 5.007 5.498 289 HA SER 37 HA SER 37 116.848 3.640 3.947 290 1HB SER 37 HB2 SER 37 118.298 4.159 1.868 291 2HB SER 37 HB1 SER 37 117.194 5.416 2.450 292 HG SER 37 HG SER 37 119.509 5.680 3.712 293 H GLU 38 HN GLU 38 118.778 2.881 6.033 294 HA GLU 38 HA GLU 38 121.086 1.761 4.668 295 1HB GLU 38 HB2 GLU 38 121.856 1.143 6.922 296 2HB GLU 38 HB1 GLU 38 121.448 2.846 6.787 297 1HG GLU 38 HG2 GLU 38 119.270 2.369 7.842 298 2HG GLU 38 HG1 GLU 38 119.776 0.694 8.051 299 H GLU 39 HN GLU 39 118.020 0.738 5.208 300 HA GLU 39 HA GLU 39 118.359 -1.904 6.031 301 1HB GLU 39 HB2 GLU 39 116.039 -2.271 4.939 302 2HB GLU 39 HB1 GLU 39 116.187 -1.231 6.335 303 1HG GLU 39 HG2 GLU 39 114.647 -0.242 4.805 304 2HG GLU 39 HG1 GLU 39 116.098 0.737 4.825 305 H ASN 40 HN ASN 40 118.657 -0.532 2.928 306 HA ASN 40 HA ASN 40 118.485 -3.004 1.558 307 1HB ASN 40 HB2 ASN 40 119.216 -1.625 -0.444 308 2HB ASN 40 HB1 ASN 40 117.770 -1.097 0.397 309 1HD2 ASN 40 HD21 ASN 40 117.884 0.896 -0.434 310 2HD2 ASN 40 HD22 ASN 40 119.029 2.066 0.099 311 H ILE 41 HN ILE 41 121.219 -1.051 2.546 312 HA ILE 41 HA ILE 41 123.114 -2.719 1.244 313 HB ILE 41 HB ILE 41 123.513 -0.315 2.123 314 1HG1 ILE 41 HG12 ILE 41 125.691 -2.427 2.448 315 2HG1 ILE 41 HG11 ILE 41 125.177 -1.659 0.977 316 1HG2 ILE 41 HG21 ILE 41 122.988 -0.443 4.419 317 2HG2 ILE 41 HG22 ILE 41 124.737 -0.253 4.383 318 3HG2 ILE 41 HG23 ILE 41 124.006 -1.808 4.732 319 1HD1 ILE 41 HD11 ILE 41 125.928 0.506 1.844 320 2HD1 ILE 41 HD12 ILE 41 127.191 -0.694 1.655 321 3HD1 ILE 41 HD13 ILE 41 126.562 -0.322 3.280 322 H GLU 42 HN GLU 42 121.860 -2.701 4.510 323 HA GLU 42 HA GLU 42 123.470 -4.895 5.341 324 1HB GLU 42 HB2 GLU 42 121.305 -3.258 6.484 325 2HB GLU 42 HB1 GLU 42 121.505 -4.866 7.154 326 1HG GLU 42 HG2 GLU 42 122.629 -2.847 8.183 327 2HG GLU 42 HG1 GLU 42 123.662 -4.338 8.045 328 H PHE 43 HN PHE 43 120.581 -4.578 3.612 329 HA PHE 43 HA PHE 43 119.340 -7.045 3.959 330 1HB PHE 43 HB2 PHE 43 118.237 -5.299 2.811 331 2HB PHE 43 HB1 PHE 43 119.543 -5.131 1.660 332 HD1 PHE 43 HD1 PHE 43 119.365 -6.112 -0.402 333 HD2 PHE 43 HD2 PHE 43 116.938 -7.474 2.778 334 HE1 PHE 43 HE1 PHE 43 118.071 -7.464 -1.985 335 HE2 PHE 43 HE2 PHE 43 115.624 -8.798 1.233 336 HZ PHE 43 HZ PHE 43 116.188 -8.813 -1.180 337 H TRP 44 HN TRP 44 121.604 -6.098 1.299 338 HA TRP 44 HA TRP 44 121.829 -8.892 0.875 339 1HB TRP 44 HB2 TRP 44 123.594 -8.458 -0.913 340 2HB TRP 44 HB1 TRP 44 121.960 -7.923 -1.209 341 HD1 TRP 44 HD1 TRP 44 121.933 -5.771 -2.425 342 HE1 TRP 44 HE1 TRP 44 123.382 -3.708 -2.566 343 HE3 TRP 44 HE3 TRP 44 125.463 -7.080 1.014 344 HZ2 TRP 44 HZ2 TRP 44 125.736 -2.716 -1.310 345 HZ3 TRP 44 HZ3 TRP 44 127.281 -5.512 1.486 346 HH2 TRP 44 HH2 TRP 44 127.414 -3.378 0.346 347 H ILE 45 HN ILE 45 123.470 -6.897 2.836 348 HA ILE 45 HA ILE 45 125.751 -8.492 3.216 349 HB ILE 45 HB ILE 45 124.329 -6.485 4.919 350 1HG1 ILE 45 HG12 ILE 45 127.132 -6.754 3.840 351 2HG1 ILE 45 HG11 ILE 45 125.853 -5.715 3.231 352 1HG2 ILE 45 HG21 ILE 45 126.548 -8.207 5.996 353 2HG2 ILE 45 HG22 ILE 45 124.873 -8.194 6.547 354 3HG2 ILE 45 HG23 ILE 45 125.884 -6.764 6.770 355 1HD1 ILE 45 HD11 ILE 45 125.939 -4.442 5.327 356 2HD1 ILE 45 HD12 ILE 45 127.477 -4.438 4.462 357 3HD1 ILE 45 HD13 ILE 45 127.257 -5.474 5.874 358 H ALA 46 HN ALA 46 122.501 -8.717 4.562 359 HA ALA 46 HA ALA 46 122.927 -10.913 6.251 360 1HB ALA 46 HB1 ALA 46 120.502 -11.434 5.797 361 2HB ALA 46 HB2 ALA 46 120.500 -10.091 4.649 362 3HB ALA 46 HB3 ALA 46 120.811 -9.788 6.361 363 H CYS 47 HN CYS 47 122.158 -10.664 2.837 364 HA CYS 47 HA CYS 47 122.035 -13.440 2.334 365 1HB CYS 47 HB2 CYS 47 121.019 -11.841 0.806 366 2HB CYS 47 HB1 CYS 47 122.600 -11.186 0.410 367 HG CYS 47 HG CYS 47 122.709 -14.379 -0.163 368 H GLU 48 HN GLU 48 124.802 -11.236 2.432 369 HA GLU 48 HA GLU 48 126.386 -13.240 1.185 370 1HB GLU 48 HB2 GLU 48 128.351 -11.782 1.459 371 2HB GLU 48 HB1 GLU 48 127.015 -10.921 0.743 372 1HG GLU 48 HG2 GLU 48 127.915 -9.365 2.170 373 2HG GLU 48 HG1 GLU 48 126.626 -10.047 3.157 374 H ASP 49 HN ASP 49 125.835 -12.235 4.445 375 HA ASP 49 HA ASP 49 127.589 -14.022 5.750 376 1HB ASP 49 HB2 ASP 49 126.397 -12.197 6.908 377 2HB ASP 49 HB1 ASP 49 124.862 -12.994 6.603 378 H PHE 50 HN PHE 50 124.494 -14.330 4.362 379 HA PHE 50 HA PHE 50 123.799 -16.923 5.179 380 1HB PHE 50 HB2 PHE 50 122.142 -15.391 4.437 381 2HB PHE 50 HB1 PHE 50 122.969 -15.135 2.914 382 HD1 PHE 50 HD1 PHE 50 121.198 -17.667 4.905 383 HD2 PHE 50 HD2 PHE 50 122.386 -16.330 1.071 384 HE1 PHE 50 HE1 PHE 50 119.769 -19.364 3.869 385 HE2 PHE 50 HE2 PHE 50 120.962 -18.015 0.029 386 HZ PHE 50 HZ PHE 50 119.650 -19.537 1.428 387 H LYS 51 HN LYS 51 125.148 -15.756 2.062 388 HA LYS 51 HA LYS 51 125.408 -18.380 0.965 389 1HB LYS 51 HB2 LYS 51 126.576 -17.344 -0.897 390 2HB LYS 51 HB1 LYS 51 125.175 -16.375 -0.463 391 1HG LYS 51 HG2 LYS 51 126.612 -14.807 0.716 392 2HG LYS 51 HG1 LYS 51 128.018 -15.790 0.325 393 1HD LYS 51 HD2 LYS 51 127.633 -15.382 -2.061 394 2HD LYS 51 HD1 LYS 51 126.221 -14.393 -1.657 395 1HE LYS 51 HE2 LYS 51 127.680 -12.899 -0.346 396 2HE LYS 51 HE1 LYS 51 129.070 -13.861 -0.831 397 1HZ LYS 51 HZ1 LYS 51 128.722 -11.818 -2.106 398 2HZ LYS 51 HZ2 LYS 51 127.289 -12.449 -2.751 399 3HZ LYS 51 HZ3 LYS 51 128.789 -13.189 -3.078 400 H LYS 52 HN LYS 52 127.416 -16.634 3.118 401 HA LYS 52 HA LYS 52 129.754 -18.185 2.409 402 1HB LYS 52 HB2 LYS 52 130.955 -17.022 4.174 403 2HB LYS 52 HB1 LYS 52 130.027 -15.848 3.230 404 1HG LYS 52 HG2 LYS 52 128.317 -15.871 5.024 405 2HG LYS 52 HG1 LYS 52 129.368 -16.933 5.955 406 1HD LYS 52 HD2 LYS 52 129.621 -14.632 6.705 407 2HD LYS 52 HD1 LYS 52 131.112 -15.182 5.941 408 1HE LYS 52 HE2 LYS 52 130.624 -13.961 3.945 409 2HE LYS 52 HE1 LYS 52 128.990 -13.605 4.495 410 1HZ LYS 52 HZ1 LYS 52 130.345 -11.685 4.762 411 2HZ LYS 52 HZ2 LYS 52 131.511 -12.523 5.669 412 3HZ LYS 52 HZ3 LYS 52 129.938 -12.281 6.275 413 H SER 53 HN SER 53 127.008 -18.911 3.980 414 HA SER 53 HA SER 53 128.183 -20.617 6.010 415 1HB SER 53 HB2 SER 53 125.290 -20.317 5.122 416 2HB SER 53 HB1 SER 53 125.858 -21.114 6.591 417 HG SER 53 HG SER 53 126.303 -18.377 5.986 418 H LYS 54 HN LYS 54 128.291 -22.899 5.759 419 HA LYS 54 HA LYS 54 127.804 -23.746 3.008 420 1HB LYS 54 HB2 LYS 54 129.750 -25.325 3.322 421 2HB LYS 54 HB1 LYS 54 130.154 -23.625 3.274 422 1HG LYS 54 HG2 LYS 54 131.518 -24.539 4.952 423 2HG LYS 54 HG1 LYS 54 130.223 -23.726 5.824 424 1HD LYS 54 HD2 LYS 54 129.101 -25.875 6.146 425 2HD LYS 54 HD1 LYS 54 130.380 -26.683 5.242 426 1HE LYS 54 HE2 LYS 54 130.750 -26.979 7.607 427 2HE LYS 54 HE1 LYS 54 132.006 -25.941 6.941 428 1HZ LYS 54 HZ1 LYS 54 130.864 -24.012 7.860 429 2HZ LYS 54 HZ2 LYS 54 131.149 -25.131 9.075 430 3HZ LYS 54 HZ3 LYS 54 129.616 -24.981 8.446 431 H GLY 55 HN GLY 55 126.159 -23.888 5.442 432 1HA GLY 55 HA2 GLY 55 125.806 -26.790 5.622 433 2HA GLY 55 HA1 GLY 55 125.158 -25.608 6.762 434 HA PRO 56 HA PRO 56 122.609 -25.966 2.621 435 1HB PRO 56 HB2 PRO 56 121.902 -28.807 3.116 436 2HB PRO 56 HB1 PRO 56 122.292 -27.992 1.596 437 1HG PRO 56 HG2 PRO 56 124.033 -29.654 2.749 438 2HG PRO 56 HG1 PRO 56 124.574 -28.175 1.930 439 1HD PRO 56 HD2 PRO 56 124.255 -28.711 4.861 440 2HD PRO 56 HD1 PRO 56 125.552 -27.847 4.008 441 H GLN 57 HN GLN 57 121.984 -27.625 5.703 442 HA GLN 57 HA GLN 57 119.151 -27.127 5.516 443 1HB GLN 57 HB2 GLN 57 120.828 -28.028 7.875 444 2HB GLN 57 HB1 GLN 57 119.073 -27.896 7.895 445 1HG GLN 57 HG2 GLN 57 120.694 -29.723 6.131 446 2HG GLN 57 HG1 GLN 57 119.777 -30.198 7.558 447 1HE2 GLN 57 HE21 GLN 57 119.527 -31.048 4.780 448 2HE2 GLN 57 HE22 GLN 57 117.884 -30.730 4.333 449 H GLN 58 HN GLN 58 121.932 -25.729 6.992 450 HA GLN 58 HA GLN 58 120.889 -23.622 8.485 451 1HB GLN 58 HB2 GLN 58 123.247 -24.150 8.523 452 2HB GLN 58 HB1 GLN 58 123.390 -23.884 6.802 453 1HG GLN 58 HG2 GLN 58 124.470 -22.085 7.880 454 2HG GLN 58 HG1 GLN 58 122.966 -21.453 7.235 455 1HE2 GLN 58 HE21 GLN 58 124.712 -20.501 9.357 456 2HE2 GLN 58 HE22 GLN 58 123.761 -20.382 10.783 457 H ILE 59 HN ILE 59 121.541 -23.910 5.032 458 HA ILE 59 HA ILE 59 120.938 -21.353 4.122 459 HB ILE 59 HB ILE 59 120.170 -23.902 2.696 460 1HG1 ILE 59 HG12 ILE 59 122.485 -24.117 3.264 461 2HG1 ILE 59 HG11 ILE 59 122.382 -23.736 1.552 462 1HG2 ILE 59 HG21 ILE 59 120.799 -21.184 1.578 463 2HG2 ILE 59 HG22 ILE 59 119.209 -21.896 1.746 464 3HG2 ILE 59 HG23 ILE 59 120.384 -22.627 0.640 465 1HD1 ILE 59 HD11 ILE 59 123.035 -21.436 2.037 466 2HD1 ILE 59 HD12 ILE 59 124.200 -22.626 2.653 467 3HD1 ILE 59 HD13 ILE 59 123.088 -21.833 3.766 468 H HIS 60 HN HIS 60 118.796 -24.101 4.536 469 HA HIS 60 HA HIS 60 116.380 -22.979 3.581 470 1HB HIS 60 HB2 HIS 60 116.763 -25.073 5.727 471 2HB HIS 60 HB1 HIS 60 115.197 -24.621 5.089 472 HD1 HIS 60 HD1 HIS 60 114.469 -25.706 2.938 473 HD2 HIS 60 HD2 HIS 60 118.409 -26.501 3.909 474 HE1 HIS 60 HE1 HIS 60 115.225 -27.459 1.285 475 HE2 HIS 60 HE2 HIS 60 117.530 -28.099 2.087 476 H LEU 61 HN LEU 61 117.539 -23.120 6.879 477 HA LEU 61 HA LEU 61 115.281 -21.667 7.801 478 1HB LEU 61 HB2 LEU 61 116.401 -21.781 10.006 479 2HB LEU 61 HB1 LEU 61 116.188 -23.316 9.186 480 HG LEU 61 HG LEU 61 118.694 -22.662 8.418 481 1HD1 LEU 61 HD11 LEU 61 119.916 -21.962 10.386 482 2HD1 LEU 61 HD12 LEU 61 118.391 -21.689 11.230 483 3HD1 LEU 61 HD13 LEU 61 118.803 -20.726 9.809 484 1HD2 LEU 61 HD21 LEU 61 117.973 -24.809 9.164 485 2HD2 LEU 61 HD22 LEU 61 117.832 -24.243 10.834 486 3HD2 LEU 61 HD23 LEU 61 119.420 -24.340 10.058 487 H LYS 62 HN LYS 62 118.576 -20.821 7.055 488 HA LYS 62 HA LYS 62 118.372 -18.164 8.035 489 1HB LYS 62 HB2 LYS 62 120.288 -19.459 6.125 490 2HB LYS 62 HB1 LYS 62 120.350 -17.732 6.443 491 1HG LYS 62 HG2 LYS 62 120.562 -19.862 8.552 492 2HG LYS 62 HG1 LYS 62 121.939 -19.065 7.783 493 1HD LYS 62 HD2 LYS 62 121.178 -16.919 8.581 494 2HD LYS 62 HD1 LYS 62 119.748 -17.658 9.302 495 1HE LYS 62 HE2 LYS 62 122.607 -18.240 10.076 496 2HE LYS 62 HE1 LYS 62 121.498 -17.200 10.969 497 1HZ LYS 62 HZ1 LYS 62 121.545 -19.360 11.984 498 2HZ LYS 62 HZ2 LYS 62 121.201 -20.138 10.540 499 3HZ LYS 62 HZ3 LYS 62 120.038 -19.132 11.262 500 H ALA 63 HN ALA 63 117.809 -19.566 4.835 501 HA ALA 63 HA ALA 63 117.319 -17.128 3.530 502 1HB ALA 63 HB1 ALA 63 117.651 -19.220 2.265 503 2HB ALA 63 HB2 ALA 63 116.103 -18.460 1.855 504 3HB ALA 63 HB3 ALA 63 116.147 -19.835 2.950 505 H LYS 64 HN LYS 64 115.167 -19.432 5.118 506 HA LYS 64 HA LYS 64 112.791 -18.033 4.659 507 1HB LYS 64 HB2 LYS 64 113.039 -20.384 5.603 508 2HB LYS 64 HB1 LYS 64 113.339 -19.630 7.164 509 1HG LYS 64 HG2 LYS 64 111.034 -20.277 7.040 510 2HG LYS 64 HG1 LYS 64 111.136 -18.513 6.998 511 1HD LYS 64 HD2 LYS 64 111.012 -18.643 4.503 512 2HD LYS 64 HD1 LYS 64 110.715 -20.371 4.660 513 1HE LYS 64 HE2 LYS 64 109.000 -18.161 5.781 514 2HE LYS 64 HE1 LYS 64 108.670 -19.105 4.333 515 1HZ LYS 64 HZ1 LYS 64 108.435 -21.102 5.739 516 2HZ LYS 64 HZ2 LYS 64 107.402 -19.869 6.207 517 3HZ LYS 64 HZ3 LYS 64 108.770 -20.163 7.127 518 H ALA 65 HN ALA 65 115.189 -17.651 7.204 519 HA ALA 65 HA ALA 65 113.815 -15.770 8.792 520 1HB ALA 65 HB1 ALA 65 116.793 -16.085 8.412 521 2HB ALA 65 HB2 ALA 65 115.807 -16.979 9.569 522 3HB ALA 65 HB3 ALA 65 115.999 -15.234 9.737 523 H ILE 66 HN ILE 66 116.285 -15.312 6.284 524 HA ILE 66 HA ILE 66 116.198 -12.498 6.290 525 HB ILE 66 HB ILE 66 117.119 -14.441 4.147 526 1HG1 ILE 66 HG12 ILE 66 118.602 -12.900 6.284 527 2HG1 ILE 66 HG11 ILE 66 118.319 -14.632 6.243 528 1HG2 ILE 66 HG21 ILE 66 117.659 -11.467 4.289 529 2HG2 ILE 66 HG22 ILE 66 116.630 -12.290 3.109 530 3HG2 ILE 66 HG23 ILE 66 118.361 -12.614 3.136 531 1HD1 ILE 66 HD11 ILE 66 120.076 -12.997 4.463 532 2HD1 ILE 66 HD12 ILE 66 119.692 -14.698 4.147 533 3HD1 ILE 66 HD13 ILE 66 120.565 -14.242 5.614 534 H TYR 67 HN TYR 67 114.448 -14.889 4.491 535 HA TYR 67 HA TYR 67 112.949 -13.325 2.736 536 1HB TYR 67 HB2 TYR 67 112.947 -15.745 2.684 537 2HB TYR 67 HB1 TYR 67 112.249 -15.818 4.293 538 HD1 TYR 67 HD1 TYR 67 110.047 -16.340 4.387 539 HD2 TYR 67 HD2 TYR 67 111.533 -14.221 1.052 540 HE1 TYR 67 HE1 TYR 67 107.803 -16.353 3.413 541 HE2 TYR 67 HE2 TYR 67 109.329 -14.156 0.059 542 HH TYR 67 HH TYR 67 106.493 -14.890 1.722 543 H GLU 68 HN GLU 68 111.974 -14.397 6.019 544 HA GLU 68 HA GLU 68 109.673 -12.729 5.952 545 1HB GLU 68 HB2 GLU 68 110.928 -14.212 8.236 546 2HB GLU 68 HB1 GLU 68 109.382 -13.383 8.310 547 1HG GLU 68 HG2 GLU 68 108.563 -14.842 6.495 548 2HG GLU 68 HG1 GLU 68 110.080 -15.741 6.578 549 H LYS 69 HN LYS 69 112.883 -12.096 6.859 550 HA LYS 69 HA LYS 69 112.095 -9.869 8.543 551 1HB LYS 69 HB2 LYS 69 113.944 -11.240 9.328 552 2HB LYS 69 HB1 LYS 69 114.822 -10.971 7.835 553 1HG LYS 69 HG2 LYS 69 115.084 -8.617 8.393 554 2HG LYS 69 HG1 LYS 69 114.148 -8.847 9.869 555 1HD LYS 69 HD2 LYS 69 115.845 -10.313 10.768 556 2HD LYS 69 HD1 LYS 69 116.739 -10.267 9.243 557 1HE LYS 69 HE2 LYS 69 117.114 -7.868 9.534 558 2HE LYS 69 HE1 LYS 69 116.203 -7.902 11.038 559 1HZ LYS 69 HZ1 LYS 69 118.683 -9.499 10.614 560 2HZ LYS 69 HZ2 LYS 69 117.903 -9.127 12.097 561 3HZ LYS 69 HZ3 LYS 69 118.668 -7.941 11.230 562 H PHE 70 HN PHE 70 112.916 -10.405 5.249 563 HA PHE 70 HA PHE 70 113.369 -7.517 4.896 564 1HB PHE 70 HB2 PHE 70 114.981 -9.735 3.639 565 2HB PHE 70 HB1 PHE 70 115.063 -8.053 3.158 566 HD1 PHE 70 HD1 PHE 70 116.158 -10.560 5.493 567 HD2 PHE 70 HD2 PHE 70 116.007 -6.387 4.737 568 HE1 PHE 70 HE1 PHE 70 117.959 -10.206 7.122 569 HE2 PHE 70 HE2 PHE 70 117.803 -6.020 6.368 570 HZ PHE 70 HZ PHE 70 118.784 -7.934 7.561 571 H ILE 71 HN ILE 71 112.912 -10.547 3.124 572 HA ILE 71 HA ILE 71 111.970 -9.236 0.802 573 HB ILE 71 HB ILE 71 111.986 -12.171 1.580 574 1HG1 ILE 71 HG12 ILE 71 114.188 -11.183 1.392 575 2HG1 ILE 71 HG11 ILE 71 113.910 -12.317 0.075 576 1HG2 ILE 71 HG21 ILE 71 111.882 -12.545 -0.912 577 2HG2 ILE 71 HG22 ILE 71 111.165 -10.932 -1.042 578 3HG2 ILE 71 HG23 ILE 71 110.375 -12.229 -0.075 579 1HD1 ILE 71 HD11 ILE 71 113.732 -9.312 -0.117 580 2HD1 ILE 71 HD12 ILE 71 113.464 -10.436 -1.440 581 3HD1 ILE 71 HD13 ILE 71 115.057 -10.313 -0.697 582 H GLN 72 HN GLN 72 110.537 -10.321 3.634 583 HA GLN 72 HA GLN 72 107.813 -10.554 2.845 584 1HB GLN 72 HB2 GLN 72 108.837 -11.264 5.071 585 2HB GLN 72 HB1 GLN 72 108.888 -9.548 5.485 586 1HG GLN 72 HG2 GLN 72 106.951 -10.420 6.491 587 2HG GLN 72 HG1 GLN 72 106.452 -9.473 5.098 588 1HE2 GLN 72 HE21 GLN 72 106.671 -12.672 6.448 589 2HE2 GLN 72 HE22 GLN 72 105.742 -13.457 5.237 590 H THR 73 HN THR 73 106.229 -8.855 2.807 591 HA THR 73 HA THR 73 107.426 -6.254 2.391 592 HB THR 73 HB THR 73 104.543 -7.150 2.040 593 HG1 THR 73 HG1 THR 73 106.075 -8.007 0.504 594 1HG2 THR 73 HG21 THR 73 104.216 -5.006 0.869 595 2HG2 THR 73 HG22 THR 73 105.873 -4.538 1.276 596 3HG2 THR 73 HG23 THR 73 104.679 -4.770 2.555 597 H ASP 74 HN ASP 74 105.033 -7.745 4.479 598 HA ASP 74 HA ASP 74 104.992 -5.426 6.228 599 1HB ASP 74 HB2 ASP 74 103.256 -6.583 7.461 600 2HB ASP 74 HB1 ASP 74 102.913 -6.772 5.753 601 H ALA 75 HN ALA 75 107.428 -6.412 5.917 602 HA ALA 75 HA ALA 75 108.375 -8.318 7.819 603 1HB ALA 75 HB1 ALA 75 109.779 -6.216 6.131 604 2HB ALA 75 HB2 ALA 75 109.534 -7.925 5.739 605 3HB ALA 75 HB3 ALA 75 110.581 -7.453 7.091 606 HA PRO 76 HA PRO 76 109.384 -5.694 11.417 607 1HB PRO 76 HB2 PRO 76 112.201 -5.837 11.364 608 2HB PRO 76 HB1 PRO 76 111.130 -6.916 12.263 609 1HG PRO 76 HG2 PRO 76 112.425 -7.306 9.608 610 2HG PRO 76 HG1 PRO 76 112.097 -8.490 10.885 611 1HD PRO 76 HD2 PRO 76 110.612 -8.408 8.683 612 2HD PRO 76 HD1 PRO 76 109.866 -8.714 10.267 613 H LYS 77 HN LYS 77 111.192 -5.355 8.452 614 HA LYS 77 HA LYS 77 110.781 -2.503 8.672 615 1HB LYS 77 HB2 LYS 77 113.320 -3.772 7.559 616 2HB LYS 77 HB1 LYS 77 112.906 -2.078 7.367 617 1HG LYS 77 HG2 LYS 77 112.912 -1.889 9.876 618 2HG LYS 77 HG1 LYS 77 113.549 -3.531 9.926 619 1HD LYS 77 HD2 LYS 77 114.874 -1.246 8.458 620 2HD LYS 77 HD1 LYS 77 115.270 -1.707 10.106 621 1HE LYS 77 HE2 LYS 77 115.539 -3.479 7.673 622 2HE LYS 77 HE1 LYS 77 116.859 -2.611 8.453 623 1HZ LYS 77 HZ1 LYS 77 116.930 -4.810 9.271 624 2HZ LYS 77 HZ2 LYS 77 115.282 -4.880 9.527 625 3HZ LYS 77 HZ3 LYS 77 116.248 -3.903 10.521 626 H GLU 78 HN GLU 78 112.367 -3.746 5.885 627 HA GLU 78 HA GLU 78 110.535 -4.830 4.271 628 1HB GLU 78 HB2 GLU 78 109.201 -2.643 4.696 629 2HB GLU 78 HB1 GLU 78 110.488 -1.801 3.851 630 1HG GLU 78 HG2 GLU 78 109.995 -3.173 1.842 631 2HG GLU 78 HG1 GLU 78 108.635 -3.882 2.710 632 H VAL 79 HN VAL 79 111.326 -4.222 1.847 633 HA VAL 79 HA VAL 79 114.085 -3.178 1.861 634 HB VAL 79 HB VAL 79 113.134 -5.634 0.342 635 1HG1 VAL 79 HG11 VAL 79 115.856 -4.328 0.437 636 2HG1 VAL 79 HG12 VAL 79 114.748 -4.331 -0.936 637 3HG1 VAL 79 HG13 VAL 79 115.469 -5.842 -0.383 638 1HG2 VAL 79 HG21 VAL 79 113.504 -6.096 2.682 639 2HG2 VAL 79 HG22 VAL 79 115.141 -5.407 2.538 640 3HG2 VAL 79 HG23 VAL 79 114.710 -6.875 1.653 641 H ASN 80 HN ASN 80 114.452 -1.856 0.259 642 HA ASN 80 HA ASN 80 112.395 -1.150 -1.599 643 1HB ASN 80 HB2 ASN 80 115.329 -0.419 -1.458 644 2HB ASN 80 HB1 ASN 80 114.291 0.137 -2.756 645 1HD2 ASN 80 HD21 ASN 80 115.035 0.424 0.696 646 2HD2 ASN 80 HD22 ASN 80 114.142 1.850 0.912 647 H LEU 81 HN LEU 81 112.002 -3.275 -2.328 648 HA LEU 81 HA LEU 81 113.764 -4.177 -4.498 649 1HB LEU 81 HB2 LEU 81 113.984 -5.678 -2.701 650 2HB LEU 81 HB1 LEU 81 112.243 -5.803 -2.425 651 HG LEU 81 HG LEU 81 112.276 -6.911 -4.805 652 1HD1 LEU 81 HD11 LEU 81 114.289 -7.920 -5.458 653 2HD1 LEU 81 HD12 LEU 81 115.126 -7.248 -4.077 654 3HD1 LEU 81 HD13 LEU 81 114.508 -6.170 -5.345 655 1HD2 LEU 81 HD21 LEU 81 112.785 -9.113 -3.826 656 2HD2 LEU 81 HD22 LEU 81 111.797 -8.186 -2.720 657 3HD2 LEU 81 HD23 LEU 81 113.512 -8.359 -2.420 658 H ASP 82 HN ASP 82 112.515 -5.320 -6.233 659 HA ASP 82 HA ASP 82 109.998 -4.019 -6.708 660 1HB ASP 82 HB2 ASP 82 110.107 -4.943 -8.912 661 2HB ASP 82 HB1 ASP 82 111.726 -4.390 -8.511 662 H PHE 83 HN PHE 83 108.150 -5.251 -7.405 663 HA PHE 83 HA PHE 83 107.521 -7.186 -5.428 664 1HB PHE 83 HB2 PHE 83 105.834 -5.592 -6.219 665 2HB PHE 83 HB1 PHE 83 105.860 -6.353 -7.807 666 HD1 PHE 83 HD1 PHE 83 104.454 -8.170 -8.261 667 HD2 PHE 83 HD2 PHE 83 105.169 -7.039 -4.226 668 HE1 PHE 83 HE1 PHE 83 102.755 -9.778 -7.514 669 HE2 PHE 83 HE2 PHE 83 103.467 -8.640 -3.470 670 HZ PHE 83 HZ PHE 83 102.258 -10.016 -5.115 671 H HIS 84 HN HIS 84 108.498 -7.480 -8.776 672 HA HIS 84 HA HIS 84 107.442 -10.118 -9.004 673 1HB HIS 84 HB2 HIS 84 107.676 -8.883 -11.043 674 2HB HIS 84 HB1 HIS 84 109.386 -8.607 -10.750 675 HD1 HIS 84 HD1 HIS 84 107.235 -11.821 -11.046 676 HD2 HIS 84 HD2 HIS 84 110.837 -10.171 -12.359 677 HE1 HIS 84 HE1 HIS 84 108.287 -13.542 -12.488 678 HE2 HIS 84 HE2 HIS 84 110.596 -12.655 -12.934 679 H THR 85 HN THR 85 110.630 -8.842 -8.230 680 HA THR 85 HA THR 85 111.820 -11.380 -8.086 681 HB THR 85 HB THR 85 112.588 -8.849 -6.624 682 HG1 THR 85 HG1 THR 85 113.023 -8.311 -8.530 683 1HG2 THR 85 HG21 THR 85 113.528 -10.872 -5.622 684 2HG2 THR 85 HG22 THR 85 114.773 -9.881 -6.361 685 3HG2 THR 85 HG23 THR 85 114.209 -11.344 -7.182 686 H LYS 86 HN LYS 86 110.296 -9.345 -5.564 687 HA LYS 86 HA LYS 86 110.712 -11.267 -3.549 688 1HB LYS 86 HB2 LYS 86 109.054 -10.116 -2.150 689 2HB LYS 86 HB1 LYS 86 110.104 -8.951 -2.931 690 1HG LYS 86 HG2 LYS 86 108.367 -8.367 -4.492 691 2HG LYS 86 HG1 LYS 86 107.325 -9.636 -3.854 692 1HD LYS 86 HD2 LYS 86 106.641 -7.486 -2.962 693 2HD LYS 86 HD1 LYS 86 107.300 -8.484 -1.670 694 1HE LYS 86 HE2 LYS 86 109.424 -7.270 -1.819 695 2HE LYS 86 HE1 LYS 86 108.769 -6.285 -3.127 696 1HZ LYS 86 HZ1 LYS 86 107.088 -5.439 -1.569 697 2HZ LYS 86 HZ2 LYS 86 108.621 -5.084 -1.071 698 3HZ LYS 86 HZ3 LYS 86 107.774 -6.337 -0.312 699 H GLU 87 HN GLU 87 108.132 -10.857 -5.866 700 HA GLU 87 HA GLU 87 106.319 -12.787 -5.123 701 1HB GLU 87 HB2 GLU 87 105.905 -11.379 -7.017 702 2HB GLU 87 HB1 GLU 87 107.333 -11.965 -7.842 703 1HG GLU 87 HG2 GLU 87 106.281 -14.145 -8.103 704 2HG GLU 87 HG1 GLU 87 104.839 -13.546 -7.281 705 H VAL 88 HN VAL 88 109.173 -13.263 -7.187 706 HA VAL 88 HA VAL 88 108.935 -16.026 -7.483 707 HB VAL 88 HB VAL 88 111.485 -14.386 -7.454 708 1HG1 VAL 88 HG11 VAL 88 111.950 -16.764 -7.167 709 2HG1 VAL 88 HG12 VAL 88 112.449 -16.228 -8.773 710 3HG1 VAL 88 HG13 VAL 88 110.952 -17.140 -8.570 711 1HG2 VAL 88 HG21 VAL 88 111.257 -14.394 -9.896 712 2HG2 VAL 88 HG22 VAL 88 109.884 -13.604 -9.118 713 3HG2 VAL 88 HG23 VAL 88 109.718 -15.242 -9.746 714 H ILE 89 HN ILE 89 110.650 -14.147 -5.054 715 HA ILE 89 HA ILE 89 111.738 -16.384 -3.708 716 HB ILE 89 HB ILE 89 111.182 -13.650 -2.518 717 1HG1 ILE 89 HG12 ILE 89 113.683 -14.641 -3.916 718 2HG1 ILE 89 HG11 ILE 89 112.508 -13.536 -4.622 719 1HG2 ILE 89 HG21 ILE 89 113.166 -15.809 -1.755 720 2HG2 ILE 89 HG22 ILE 89 111.712 -15.365 -0.855 721 3HG2 ILE 89 HG23 ILE 89 113.037 -14.216 -1.007 722 1HD1 ILE 89 HD11 ILE 89 114.324 -13.044 -2.284 723 2HD1 ILE 89 HD12 ILE 89 112.977 -12.013 -2.683 724 3HD1 ILE 89 HD13 ILE 89 114.310 -12.190 -3.840 725 H THR 90 HN THR 90 108.726 -14.530 -3.231 726 HA THR 90 HA THR 90 107.959 -15.828 -0.866 727 HB THR 90 HB THR 90 105.630 -15.052 -1.332 728 HG1 THR 90 HG1 THR 90 106.626 -14.762 -3.889 729 1HG2 THR 90 HG21 THR 90 106.073 -12.642 -1.350 730 2HG2 THR 90 HG22 THR 90 107.732 -12.959 -1.865 731 3HG2 THR 90 HG23 THR 90 107.186 -13.497 -0.276 732 H ASN 91 HN ASN 91 107.951 -16.917 -4.081 733 HA ASN 91 HA ASN 91 106.099 -19.092 -3.451 734 1HB ASN 91 HB2 ASN 91 107.378 -18.360 -6.096 735 2HB ASN 91 HB1 ASN 91 106.160 -19.603 -5.848 736 1HD2 ASN 91 HD21 ASN 91 106.142 -17.172 -7.519 737 2HD2 ASN 91 HD22 ASN 91 104.765 -16.266 -7.005 738 H SER 92 HN SER 92 109.474 -18.557 -4.458 739 HA SER 92 HA SER 92 109.930 -21.438 -4.448 740 1HB SER 92 HB2 SER 92 110.481 -19.995 -6.451 741 2HB SER 92 HB1 SER 92 111.740 -19.242 -5.481 742 HG SER 92 HG SER 92 111.715 -22.014 -5.600 743 H ILE 93 HN ILE 93 109.980 -19.356 -2.042 744 HA ILE 93 HA ILE 93 112.659 -19.439 -1.036 745 HB ILE 93 HB ILE 93 110.996 -17.741 -0.258 746 1HG1 ILE 93 HG12 ILE 93 111.538 -17.804 2.168 747 2HG1 ILE 93 HG11 ILE 93 112.160 -19.436 1.980 748 1HG2 ILE 93 HG21 ILE 93 109.718 -20.037 1.188 749 2HG2 ILE 93 HG22 ILE 93 109.050 -19.149 -0.158 750 3HG2 ILE 93 HG23 ILE 93 109.275 -18.332 1.405 751 1HD1 ILE 93 HD11 ILE 93 113.226 -16.883 0.804 752 2HD1 ILE 93 HD12 ILE 93 113.784 -18.476 0.296 753 3HD1 ILE 93 HD13 ILE 93 114.058 -17.950 1.951 754 H THR 94 HN THR 94 110.070 -21.563 -1.007 755 HA THR 94 HA THR 94 110.635 -23.344 1.030 756 HB THR 94 HB THR 94 108.560 -23.446 -0.192 757 HG1 THR 94 HG1 THR 94 109.191 -25.379 0.709 758 1HG2 THR 94 HG21 THR 94 108.416 -24.260 -2.514 759 2HG2 THR 94 HG22 THR 94 110.181 -24.322 -2.590 760 3HG2 THR 94 HG23 THR 94 109.362 -22.771 -2.387 761 H GLN 95 HN GLN 95 112.361 -22.884 -1.999 762 HA GLN 95 HA GLN 95 114.168 -25.022 -1.203 763 1HB GLN 95 HB2 GLN 95 113.280 -24.563 -4.066 764 2HB GLN 95 HB1 GLN 95 114.526 -25.690 -3.556 765 1HG GLN 95 HG2 GLN 95 112.824 -26.930 -2.274 766 2HG GLN 95 HG1 GLN 95 111.595 -25.831 -2.898 767 1HE2 GLN 95 HE21 GLN 95 111.865 -28.685 -3.214 768 2HE2 GLN 95 HE22 GLN 95 111.894 -28.986 -4.918 769 HA PRO 96 HA PRO 96 116.339 -21.068 -1.997 770 1HB PRO 96 HB2 PRO 96 117.457 -20.766 0.377 771 2HB PRO 96 HB1 PRO 96 115.744 -20.410 0.128 772 1HG PRO 96 HG2 PRO 96 117.012 -22.848 1.324 773 2HG PRO 96 HG1 PRO 96 115.606 -21.929 1.891 774 1HD PRO 96 HD2 PRO 96 115.378 -24.242 0.388 775 2HD PRO 96 HD1 PRO 96 114.191 -22.939 0.428 776 H THR 97 HN THR 97 118.368 -20.851 -2.698 777 HA THR 97 HA THR 97 120.407 -22.837 -2.026 778 HB THR 97 HB THR 97 121.429 -21.774 -4.160 779 HG1 THR 97 HG1 THR 97 120.089 -20.564 -5.390 780 1HG2 THR 97 HG21 THR 97 118.923 -23.457 -4.345 781 2HG2 THR 97 HG22 THR 97 120.567 -24.046 -4.065 782 3HG2 THR 97 HG23 THR 97 120.153 -23.295 -5.606 783 H LEU 98 HN LEU 98 122.659 -21.505 -2.539 784 HA LEU 98 HA LEU 98 122.989 -19.572 -0.503 785 1HB LEU 98 HB2 LEU 98 124.652 -20.489 -2.787 786 2HB LEU 98 HB1 LEU 98 125.069 -18.944 -2.088 787 HG LEU 98 HG LEU 98 125.536 -19.975 0.051 788 1HD1 LEU 98 HD11 LEU 98 125.473 -22.382 0.353 789 2HD1 LEU 98 HD12 LEU 98 124.663 -22.562 -1.217 790 3HD1 LEU 98 HD13 LEU 98 123.881 -21.679 0.106 791 1HD2 LEU 98 HD21 LEU 98 127.429 -21.375 -0.582 792 2HD2 LEU 98 HD22 LEU 98 127.318 -19.924 -1.579 793 3HD2 LEU 98 HD23 LEU 98 126.797 -21.482 -2.225 794 H HIS 99 HN HIS 99 122.251 -19.239 -3.875 795 HA HIS 99 HA HIS 99 122.068 -16.340 -3.514 796 1HB HIS 99 HB2 HIS 99 122.324 -18.013 -6.004 797 2HB HIS 99 HB1 HIS 99 121.884 -16.312 -6.049 798 HD1 HIS 99 HD1 HIS 99 123.748 -14.618 -5.093 799 HD2 HIS 99 HD2 HIS 99 125.001 -18.516 -5.829 800 HE1 HIS 99 HE1 HIS 99 126.233 -14.512 -5.214 801 HE2 HIS 99 HE2 HIS 99 126.889 -16.780 -6.053 802 H SER 100 HN SER 100 120.060 -17.959 -2.384 803 HA SER 100 HA SER 100 117.758 -18.307 -3.922 804 1HB SER 100 HB2 SER 100 116.648 -18.010 -1.547 805 2HB SER 100 HB1 SER 100 117.750 -19.358 -1.823 806 HG SER 100 HG SER 100 119.129 -18.507 -0.536 807 H PHE 101 HN PHE 101 119.184 -15.438 -2.769 808 HA PHE 101 HA PHE 101 116.770 -13.876 -3.442 809 1HB PHE 101 HB2 PHE 101 118.994 -13.083 -1.562 810 2HB PHE 101 HB1 PHE 101 117.481 -12.240 -1.836 811 HD1 PHE 101 HD1 PHE 101 115.335 -13.472 -1.137 812 HD2 PHE 101 HD2 PHE 101 119.230 -14.583 0.151 813 HE1 PHE 101 HE1 PHE 101 114.364 -14.654 0.785 814 HE2 PHE 101 HE2 PHE 101 118.257 -15.772 2.071 815 HZ PHE 101 HZ PHE 101 115.824 -15.804 2.381 816 H ASP 102 HN ASP 102 119.133 -14.811 -5.132 817 HA ASP 102 HA ASP 102 121.110 -12.876 -5.418 818 1HB ASP 102 HB2 ASP 102 121.763 -13.903 -7.468 819 2HB ASP 102 HB1 ASP 102 121.176 -15.180 -6.417 820 H ALA 103 HN ALA 103 118.024 -13.039 -7.158 821 HA ALA 103 HA ALA 103 118.637 -10.845 -8.877 822 1HB ALA 103 HB1 ALA 103 115.920 -11.931 -8.118 823 2HB ALA 103 HB2 ALA 103 116.927 -12.539 -9.434 824 3HB ALA 103 HB3 ALA 103 116.287 -10.896 -9.499 825 H ALA 104 HN ALA 104 117.344 -11.190 -5.739 826 HA ALA 104 HA ALA 104 116.167 -8.601 -5.595 827 1HB ALA 104 HB1 ALA 104 116.842 -10.476 -3.322 828 2HB ALA 104 HB2 ALA 104 115.340 -10.476 -4.261 829 3HB ALA 104 HB3 ALA 104 115.763 -9.069 -3.285 830 H GLN 105 HN GLN 105 119.238 -10.024 -4.715 831 HA GLN 105 HA GLN 105 120.106 -7.713 -3.259 832 1HB GLN 105 HB2 GLN 105 121.952 -9.757 -4.512 833 2HB GLN 105 HB1 GLN 105 122.273 -8.726 -3.134 834 1HG GLN 105 HG2 GLN 105 120.674 -11.264 -3.267 835 2HG GLN 105 HG1 GLN 105 122.018 -10.818 -2.220 836 1HE2 GLN 105 HE21 GLN 105 118.646 -10.673 -2.696 837 2HE2 GLN 105 HE22 GLN 105 118.258 -10.031 -1.124 838 H SER 106 HN SER 106 120.351 -8.958 -6.505 839 HA SER 106 HA SER 106 122.068 -7.102 -7.633 840 1HB SER 106 HB2 SER 106 121.332 -9.161 -8.782 841 2HB SER 106 HB1 SER 106 119.700 -8.515 -8.904 842 HG SER 106 HG SER 106 120.385 -7.840 -10.735 843 H ARG 107 HN ARG 107 118.518 -6.985 -7.198 844 HA ARG 107 HA ARG 107 117.976 -4.522 -8.423 845 1HB ARG 107 HB2 ARG 107 116.677 -5.760 -6.005 846 2HB ARG 107 HB1 ARG 107 116.088 -4.314 -6.797 847 1HG ARG 107 HG2 ARG 107 116.287 -7.053 -8.012 848 2HG ARG 107 HG1 ARG 107 114.824 -6.273 -7.413 849 1HD ARG 107 HD2 ARG 107 115.215 -4.444 -9.112 850 2HD ARG 107 HD1 ARG 107 116.532 -5.419 -9.753 851 HE ARG 107 HE ARG 107 114.036 -6.766 -9.467 852 1HH1 ARG 107 HH11 ARG 107 115.751 -4.620 -11.728 853 2HH1 ARG 107 HH12 ARG 107 115.241 -5.449 -13.118 854 1HH2 ARG 107 HH21 ARG 107 113.286 -7.855 -11.414 855 2HH2 ARG 107 HH22 ARG 107 113.787 -7.331 -12.954 856 H VAL 108 HN VAL 108 118.774 -5.229 -5.108 857 HA VAL 108 HA VAL 108 118.578 -2.592 -4.198 858 HB VAL 108 HB VAL 108 119.798 -5.079 -3.021 859 1HG1 VAL 108 HG11 VAL 108 119.822 -3.917 -0.899 860 2HG1 VAL 108 HG12 VAL 108 119.307 -2.432 -1.684 861 3HG1 VAL 108 HG13 VAL 108 120.910 -3.100 -2.027 862 1HG2 VAL 108 HG21 VAL 108 117.769 -5.005 -1.682 863 2HG2 VAL 108 HG22 VAL 108 117.430 -5.046 -3.422 864 3HG2 VAL 108 HG23 VAL 108 117.281 -3.534 -2.537 865 H TYR 109 HN TYR 109 121.355 -4.409 -5.307 866 HA TYR 109 HA TYR 109 123.301 -2.526 -4.615 867 1HB TYR 109 HB2 TYR 109 124.178 -4.556 -5.135 868 2HB TYR 109 HB1 TYR 109 123.115 -4.821 -6.491 869 HD1 TYR 109 HD1 TYR 109 123.714 -3.869 -8.686 870 HD2 TYR 109 HD2 TYR 109 126.334 -3.490 -5.361 871 HE1 TYR 109 HE1 TYR 109 125.494 -3.314 -10.200 872 HE2 TYR 109 HE2 TYR 109 128.175 -2.917 -6.880 873 HH TYR 109 HH TYR 109 128.682 -3.449 -9.356 874 H GLN 110 HN GLN 110 121.549 -2.891 -7.715 875 HA GLN 110 HA GLN 110 122.751 -0.567 -8.874 876 1HB GLN 110 HB2 GLN 110 120.806 -0.783 -10.553 877 2HB GLN 110 HB1 GLN 110 121.949 -2.123 -10.460 878 1HG GLN 110 HG2 GLN 110 120.465 -3.358 -9.116 879 2HG GLN 110 HG1 GLN 110 119.324 -2.037 -9.012 880 1HE2 GLN 110 HE21 GLN 110 119.059 -4.778 -9.955 881 2HE2 GLN 110 HE22 GLN 110 118.515 -4.700 -11.602 882 H LEU 111 HN LEU 111 119.824 -1.188 -7.124 883 HA LEU 111 HA LEU 111 118.366 1.128 -7.282 884 1HB LEU 111 HB2 LEU 111 117.672 -0.835 -6.099 885 2HB LEU 111 HB1 LEU 111 119.002 -0.686 -4.978 886 HG LEU 111 HG LEU 111 117.906 1.509 -4.318 887 1HD1 LEU 111 HD11 LEU 111 116.303 1.685 -6.116 888 2HD1 LEU 111 HD12 LEU 111 115.469 1.563 -4.563 889 3HD1 LEU 111 HD13 LEU 111 115.563 0.159 -5.626 890 1HD2 LEU 111 HD21 LEU 111 118.105 -0.424 -2.895 891 2HD2 LEU 111 HD22 LEU 111 116.682 -1.150 -3.640 892 3HD2 LEU 111 HD23 LEU 111 116.519 0.311 -2.679 893 H MET 112 HN MET 112 120.828 0.334 -4.839 894 HA MET 112 HA MET 112 120.908 2.879 -3.665 895 1HB MET 112 HB2 MET 112 122.921 0.658 -3.641 896 2HB MET 112 HB1 MET 112 123.146 2.158 -2.760 897 1HG MET 112 HG2 MET 112 121.119 1.714 -1.493 898 2HG MET 112 HG1 MET 112 120.900 0.207 -2.386 899 1HE MET 112 HE1 MET 112 122.468 -1.850 -2.184 900 2HE MET 112 HE2 MET 112 123.992 -1.845 -1.289 901 3HE MET 112 HE3 MET 112 123.798 -0.817 -2.713 902 H GLU 113 HN GLU 113 122.789 1.491 -6.272 903 HA GLU 113 HA GLU 113 124.715 3.474 -6.475 904 1HB GLU 113 HB2 GLU 113 124.850 1.347 -7.661 905 2HB GLU 113 HB1 GLU 113 123.467 1.792 -8.647 906 1HG GLU 113 HG2 GLU 113 124.743 3.573 -9.676 907 2HG GLU 113 HG1 GLU 113 126.122 3.211 -8.638 908 H GLN 114 HN GLN 114 121.822 3.236 -8.549 909 HA GLN 114 HA GLN 114 122.179 5.835 -9.624 910 1HB GLN 114 HB2 GLN 114 119.924 5.517 -10.591 911 2HB GLN 114 HB1 GLN 114 121.009 4.165 -10.886 912 1HG GLN 114 HG2 GLN 114 119.968 2.990 -8.975 913 2HG GLN 114 HG1 GLN 114 118.805 4.307 -8.854 914 1HE2 GLN 114 HE21 GLN 114 119.913 1.648 -10.699 915 2HE2 GLN 114 HE22 GLN 114 118.487 1.453 -11.671 916 H ASP 115 HN ASP 115 120.353 4.724 -6.854 917 HA ASP 115 HA ASP 115 118.927 7.235 -6.651 918 1HB ASP 115 HB2 ASP 115 117.745 5.199 -6.054 919 2HB ASP 115 HB1 ASP 115 118.955 4.816 -4.838 920 H SER 116 HN SER 116 121.228 5.489 -4.553 921 HA SER 116 HA SER 116 121.367 7.896 -2.920 922 1HB SER 116 HB2 SER 116 122.276 5.109 -2.274 923 2HB SER 116 HB1 SER 116 122.061 6.455 -1.154 924 HG SER 116 HG SER 116 119.739 6.170 -2.435 925 H TYR 117 HN TYR 117 123.502 5.908 -4.978 926 HA TYR 117 HA TYR 117 125.940 6.505 -3.700 927 1HB TYR 117 HB2 TYR 117 125.895 4.656 -5.118 928 2HB TYR 117 HB1 TYR 117 125.186 5.597 -6.445 929 HD1 TYR 117 HD1 TYR 117 126.507 6.039 -8.207 930 HD2 TYR 117 HD2 TYR 117 128.377 5.475 -4.435 931 HE1 TYR 117 HE1 TYR 117 128.689 6.225 -9.281 932 HE2 TYR 117 HE2 TYR 117 130.586 5.665 -5.508 933 HH TYR 117 HH TYR 117 130.912 6.717 -8.793 934 H THR 118 HN THR 118 124.183 8.176 -6.153 935 HA THR 118 HA THR 118 126.112 10.077 -6.856 936 HB THR 118 HB THR 118 124.007 11.368 -7.548 937 HG1 THR 118 HG1 THR 118 122.133 9.878 -7.499 938 1HG2 THR 118 HG21 THR 118 124.315 8.500 -8.472 939 2HG2 THR 118 HG22 THR 118 125.249 9.869 -9.076 940 3HG2 THR 118 HG23 THR 118 123.510 9.790 -9.363 941 H ARG 119 HN ARG 119 123.467 10.163 -4.512 942 HA ARG 119 HA ARG 119 123.992 12.755 -3.466 943 1HB ARG 119 HB2 ARG 119 122.738 10.452 -1.977 944 2HB ARG 119 HB1 ARG 119 122.586 12.152 -1.596 945 1HG ARG 119 HG2 ARG 119 121.297 12.494 -3.616 946 2HG ARG 119 HG1 ARG 119 121.487 10.783 -4.026 947 1HD ARG 119 HD2 ARG 119 120.430 10.254 -1.798 948 2HD ARG 119 HD1 ARG 119 120.032 11.967 -1.670 949 HE ARG 119 HE ARG 119 118.844 11.670 -3.807 950 1HH1 ARG 119 HH11 ARG 119 119.059 9.112 -1.348 951 2HH1 ARG 119 HH12 ARG 119 117.981 8.058 -2.154 952 1HH2 ARG 119 HH21 ARG 119 117.215 10.254 -4.827 953 2HH2 ARG 119 HH22 ARG 119 116.878 8.732 -4.125 954 H PHE 120 HN PHE 120 125.087 9.525 -2.645 955 HA PHE 120 HA PHE 120 126.510 10.072 -0.322 956 1HB PHE 120 HB2 PHE 120 126.240 7.779 -0.889 957 2HB PHE 120 HB1 PHE 120 126.932 8.011 -2.488 958 HD1 PHE 120 HD1 PHE 120 129.187 7.652 -2.870 959 HD2 PHE 120 HD2 PHE 120 127.817 8.010 1.146 960 HE1 PHE 120 HE1 PHE 120 131.397 6.980 -2.062 961 HE2 PHE 120 HE2 PHE 120 130.077 7.322 1.951 962 HZ PHE 120 HZ PHE 120 131.832 6.819 0.348 963 H LEU 121 HN LEU 121 127.596 10.140 -3.696 964 HA LEU 121 HA LEU 121 130.219 10.936 -3.209 965 1HB LEU 121 HB2 LEU 121 128.476 11.554 -5.590 966 2HB LEU 121 HB1 LEU 121 130.210 11.787 -5.537 967 HG LEU 121 HG LEU 121 128.771 9.140 -5.352 968 1HD1 LEU 121 HD11 LEU 121 128.696 10.114 -7.577 969 2HD1 LEU 121 HD12 LEU 121 129.764 8.712 -7.536 970 3HD1 LEU 121 HD13 LEU 121 130.445 10.338 -7.549 971 1HD2 LEU 121 HD21 LEU 121 131.007 8.144 -5.475 972 2HD2 LEU 121 HD22 LEU 121 130.832 9.153 -4.033 973 3HD2 LEU 121 HD23 LEU 121 131.725 9.756 -5.422 974 H LYS 122 HN LYS 122 127.288 12.794 -3.252 975 HA LYS 122 HA LYS 122 128.899 15.205 -2.894 976 1HB LYS 122 HB2 LYS 122 126.029 14.917 -3.759 977 2HB LYS 122 HB1 LYS 122 126.814 16.465 -3.435 978 1HG LYS 122 HG2 LYS 122 127.681 14.445 -5.492 979 2HG LYS 122 HG1 LYS 122 126.857 15.977 -5.811 980 1HD LYS 122 HD2 LYS 122 128.703 17.243 -5.015 981 2HD LYS 122 HD1 LYS 122 129.474 15.810 -4.339 982 1HE LYS 122 HE2 LYS 122 130.574 16.537 -6.361 983 2HE LYS 122 HE1 LYS 122 129.845 14.948 -6.573 984 1HZ LYS 122 HZ1 LYS 122 129.497 16.397 -8.488 985 2HZ LYS 122 HZ2 LYS 122 128.649 17.510 -7.530 986 3HZ LYS 122 HZ3 LYS 122 128.025 15.978 -7.795 987 H SER 123 HN SER 123 127.800 13.049 -0.798 988 HA SER 123 HA SER 123 126.534 14.885 1.017 989 1HB SER 123 HB2 SER 123 126.599 13.003 2.584 990 2HB SER 123 HB1 SER 123 125.987 12.455 1.025 991 HG SER 123 HG SER 123 128.044 11.605 0.566 992 H ASP 124 HN ASP 124 127.544 15.426 3.083 993 HA ASP 124 HA ASP 124 130.243 16.269 2.835 994 1HB ASP 124 HB2 ASP 124 130.096 17.086 5.060 995 2HB ASP 124 HB1 ASP 124 128.457 17.223 4.440 996 H ILE 125 HN ILE 125 128.825 13.339 3.609 997 HA ILE 125 HA ILE 125 130.754 12.048 5.162 998 HB ILE 125 HB ILE 125 128.637 11.170 3.237 999 1HG1 ILE 125 HG12 ILE 125 127.838 11.956 5.369 1000 2HG1 ILE 125 HG11 ILE 125 127.539 10.229 5.229 1001 1HG2 ILE 125 HG21 ILE 125 130.490 9.249 4.583 1002 2HG2 ILE 125 HG22 ILE 125 130.179 9.570 2.847 1003 3HG2 ILE 125 HG23 ILE 125 128.923 8.841 3.845 1004 1HD1 ILE 125 HD11 ILE 125 128.294 10.824 7.459 1005 2HD1 ILE 125 HD12 ILE 125 129.770 11.516 6.788 1006 3HD1 ILE 125 HD13 ILE 125 129.469 9.783 6.654 1007 H TYR 126 HN TYR 126 130.203 11.663 1.633 1008 HA TYR 126 HA TYR 126 132.776 10.496 1.278 1009 1HB TYR 126 HB2 TYR 126 130.949 9.920 -0.243 1010 2HB TYR 126 HB1 TYR 126 130.901 11.579 -0.831 1011 HD1 TYR 126 HD1 TYR 126 133.257 8.700 -0.512 1012 HD2 TYR 126 HD2 TYR 126 132.077 12.102 -2.767 1013 HE1 TYR 126 HE1 TYR 126 134.885 8.101 -2.228 1014 HE2 TYR 126 HE2 TYR 126 133.709 11.530 -4.496 1015 HH TYR 126 HH TYR 126 135.475 8.511 -4.374 1016 H LEU 127 HN LEU 127 131.554 13.755 0.907 1017 HA LEU 127 HA LEU 127 133.870 14.736 -0.351 1018 1HB LEU 127 HB2 LEU 127 131.757 16.172 1.248 1019 2HB LEU 127 HB1 LEU 127 133.019 16.987 0.337 1020 HG LEU 127 HG LEU 127 130.862 15.213 -0.804 1021 1HD1 LEU 127 HD11 LEU 127 131.205 18.199 -0.919 1022 2HD1 LEU 127 HD12 LEU 127 129.989 17.319 0.008 1023 3HD1 LEU 127 HD13 LEU 127 129.966 17.260 -1.754 1024 1HD2 LEU 127 HD21 LEU 127 132.897 15.081 -2.125 1025 2HD2 LEU 127 HD22 LEU 127 132.997 16.843 -2.186 1026 3HD2 LEU 127 HD23 LEU 127 131.664 16.004 -2.985 1027 H ASP 128 HN ASP 128 133.205 13.945 2.926 1028 HA ASP 128 HA ASP 128 135.415 15.407 4.057 1029 1HB ASP 128 HB2 ASP 128 133.463 14.704 5.430 1030 2HB ASP 128 HB1 ASP 128 133.911 13.025 5.177 1031 H LEU 129 HN LEU 129 134.826 12.187 2.788 1032 HA LEU 129 HA LEU 129 137.369 11.056 3.445 1033 1HB LEU 129 HB2 LEU 129 135.919 10.232 0.902 1034 2HB LEU 129 HB1 LEU 129 136.909 9.332 1.977 1035 HG LEU 129 HG LEU 129 134.183 10.261 2.808 1036 1HD1 LEU 129 HD11 LEU 129 133.489 7.956 2.397 1037 2HD1 LEU 129 HD12 LEU 129 135.072 7.621 1.684 1038 3HD1 LEU 129 HD13 LEU 129 133.986 8.778 0.919 1039 1HD2 LEU 129 HD21 LEU 129 136.079 8.213 3.940 1040 2HD2 LEU 129 HD22 LEU 129 134.455 8.555 4.533 1041 3HD2 LEU 129 HD23 LEU 129 135.712 9.788 4.647 1042 H MET 130 HN MET 130 136.099 12.921 0.819 1043 HA MET 130 HA MET 130 138.393 12.955 -0.855 1044 1HB MET 130 HB2 MET 130 136.194 15.017 -0.561 1045 2HB MET 130 HB1 MET 130 137.416 15.049 -1.809 1046 1HG MET 130 HG2 MET 130 135.320 12.891 -1.479 1047 2HG MET 130 HG1 MET 130 135.223 14.256 -2.581 1048 1HE MET 130 HE1 MET 130 136.711 10.699 -1.915 1049 2HE MET 130 HE2 MET 130 138.096 11.739 -1.594 1050 3HE MET 130 HE3 MET 130 138.117 10.668 -2.990 1051 H GLU 131 HN GLU 131 137.111 15.213 1.519 1052 HA GLU 131 HA GLU 131 137.964 16.695 2.896 1053 1HB GLU 131 HB2 GLU 131 139.665 14.961 3.459 1054 2HB GLU 131 HB1 GLU 131 140.685 15.563 2.169 1055 1HG GLU 131 HG2 GLU 131 140.934 17.682 3.360 1056 2HG GLU 131 HG1 GLU 131 139.892 17.075 4.649 1057 H GLY 132 HN GLY 132 138.252 16.734 -0.302 1058 1HA GLY 132 HA2 GLY 132 139.722 19.141 -0.744 1059 2HA GLY 132 HA1 GLY 132 138.592 18.389 -1.874 1060 H ARG 133 HN ARG 133 136.332 18.279 -0.350 1061 HA ARG 133 HA ARG 133 135.976 20.981 0.605 1062 1HB ARG 133 HB2 ARG 133 134.895 20.967 -1.570 1063 2HB ARG 133 HB1 ARG 133 133.974 19.528 -1.145 1064 1HG ARG 133 HG2 ARG 133 132.712 20.723 0.485 1065 2HG ARG 133 HG1 ARG 133 133.746 22.139 0.332 1066 1HD ARG 133 HD2 ARG 133 131.605 22.446 -0.790 1067 2HD ARG 133 HD1 ARG 133 132.945 22.498 -1.926 1068 HE ARG 133 HE ARG 133 132.307 20.298 -2.676 1069 1HH1 ARG 133 HH11 ARG 133 129.954 21.647 -0.412 1070 2HH1 ARG 133 HH12 ARG 133 128.588 21.053 -1.218 1071 1HH2 ARG 133 HH21 ARG 133 130.433 19.490 -3.862 1072 2HH2 ARG 133 HH22 ARG 133 128.874 19.801 -3.314 1073 HA PRO 134 HA PRO 134 134.257 18.528 3.958 1074 1HB PRO 134 HB2 PRO 134 136.105 19.331 5.821 1075 2HB PRO 134 HB1 PRO 134 136.350 17.930 4.774 1076 1HG PRO 134 HG2 PRO 134 137.780 20.443 4.770 1077 2HG PRO 134 HG1 PRO 134 138.092 18.992 3.806 1078 1HD PRO 134 HD2 PRO 134 136.656 21.462 3.069 1079 2HD PRO 134 HD1 PRO 134 137.405 20.236 2.026 Start of MODEL 15 1 1H SER 1 HT1 SER 1 143.814 1.067 8.172 2 2H SER 1 HT2 SER 1 143.256 -0.540 8.029 3 3H SER 1 HT3 SER 1 142.257 0.683 8.665 4 HA SER 1 HA SER 1 143.293 0.586 5.934 5 1HB SER 1 HB2 SER 1 140.511 0.077 6.989 6 2HB SER 1 HB1 SER 1 141.051 -0.056 5.313 7 HG SER 1 HG SER 1 140.950 -2.069 6.389 8 H MET 2 HN MET 2 143.727 2.692 5.547 9 HA MET 2 HA MET 2 141.575 4.606 6.048 10 1HB MET 2 HB2 MET 2 143.482 5.101 7.520 11 2HB MET 2 HB1 MET 2 144.566 5.087 6.138 12 1HG MET 2 HG2 MET 2 143.413 7.033 5.210 13 2HG MET 2 HG1 MET 2 142.326 7.046 6.597 14 1HE MET 2 HE1 MET 2 142.903 9.579 7.078 15 2HE MET 2 HE2 MET 2 143.987 9.600 5.686 16 3HE MET 2 HE3 MET 2 144.545 10.199 7.249 17 H VAL 3 HN VAL 3 140.697 4.831 4.169 18 HA VAL 3 HA VAL 3 141.906 4.247 1.734 19 HB VAL 3 HB VAL 3 139.511 4.120 1.909 20 1HG1 VAL 3 HG11 VAL 3 139.510 7.102 2.321 21 2HG1 VAL 3 HG12 VAL 3 139.096 5.874 3.521 22 3HG1 VAL 3 HG13 VAL 3 138.081 6.092 2.093 23 1HG2 VAL 3 HG21 VAL 3 138.820 5.250 -0.100 24 2HG2 VAL 3 HG22 VAL 3 140.473 4.665 -0.320 25 3HG2 VAL 3 HG23 VAL 3 140.161 6.371 0.009 26 H SER 4 HN SER 4 143.210 5.238 0.511 27 HA SER 4 HA SER 4 144.115 7.941 0.906 28 1HB SER 4 HB2 SER 4 144.517 6.016 -1.392 29 2HB SER 4 HB1 SER 4 145.512 7.423 -0.999 30 HG SER 4 HG SER 4 145.851 6.348 1.086 31 HA PRO 5 HA PRO 5 141.009 10.286 -1.070 32 1HB PRO 5 HB2 PRO 5 143.329 11.627 -2.399 33 2HB PRO 5 HB1 PRO 5 141.942 12.343 -1.565 34 1HG PRO 5 HG2 PRO 5 144.285 12.225 -0.349 35 2HG PRO 5 HG1 PRO 5 142.795 11.867 0.545 36 1HD PRO 5 HD2 PRO 5 144.880 10.000 -0.485 37 2HD PRO 5 HD1 PRO 5 143.910 9.903 1.003 38 H GLU 6 HN GLU 6 143.601 9.004 -3.073 39 HA GLU 6 HA GLU 6 142.022 9.367 -5.487 40 1HB GLU 6 HB2 GLU 6 144.578 7.817 -5.120 41 2HB GLU 6 HB1 GLU 6 143.789 8.095 -6.665 42 1HG GLU 6 HG2 GLU 6 144.059 10.518 -6.324 43 2HG GLU 6 HG1 GLU 6 144.950 10.175 -4.840 44 H GLU 7 HN GLU 7 142.711 6.748 -3.312 45 HA GLU 7 HA GLU 7 141.468 4.695 -4.818 46 1HB GLU 7 HB2 GLU 7 142.998 4.417 -2.793 47 2HB GLU 7 HB1 GLU 7 141.645 4.928 -1.796 48 1HG GLU 7 HG2 GLU 7 141.796 2.562 -1.716 49 2HG GLU 7 HG1 GLU 7 140.373 2.979 -2.669 50 H ALA 8 HN ALA 8 140.447 7.187 -2.644 51 HA ALA 8 HA ALA 8 137.734 6.415 -2.419 52 1HB ALA 8 HB1 ALA 8 137.412 8.684 -1.362 53 2HB ALA 8 HB2 ALA 8 139.055 9.091 -1.866 54 3HB ALA 8 HB3 ALA 8 138.793 7.782 -0.726 55 H VAL 9 HN VAL 9 139.431 8.772 -4.578 56 HA VAL 9 HA VAL 9 137.111 9.712 -5.852 57 HB VAL 9 HB VAL 9 138.346 10.526 -7.699 58 1HG1 VAL 9 HG11 VAL 9 140.103 10.754 -5.294 59 2HG1 VAL 9 HG12 VAL 9 138.726 11.764 -5.710 60 3HG1 VAL 9 HG13 VAL 9 140.181 11.796 -6.718 61 1HG2 VAL 9 HG21 VAL 9 140.658 8.752 -6.946 62 2HG2 VAL 9 HG22 VAL 9 140.703 9.998 -8.193 63 3HG2 VAL 9 HG23 VAL 9 139.632 8.608 -8.372 64 H LYS 10 HN LYS 10 138.741 6.767 -6.278 65 HA LYS 10 HA LYS 10 137.626 5.975 -8.756 66 1HB LYS 10 HB2 LYS 10 138.374 4.163 -6.457 67 2HB LYS 10 HB1 LYS 10 138.233 3.710 -8.147 68 1HG LYS 10 HG2 LYS 10 140.275 5.574 -6.967 69 2HG LYS 10 HG1 LYS 10 140.550 3.917 -7.498 70 1HD LYS 10 HD2 LYS 10 140.067 4.536 -9.786 71 2HD LYS 10 HD1 LYS 10 139.640 6.173 -9.280 72 1HE LYS 10 HE2 LYS 10 141.904 6.572 -8.535 73 2HE LYS 10 HE1 LYS 10 142.352 4.909 -8.916 74 1HZ LYS 10 HZ1 LYS 10 141.862 5.373 -11.238 75 2HZ LYS 10 HZ2 LYS 10 143.080 6.384 -10.631 76 3HZ LYS 10 HZ3 LYS 10 141.504 6.990 -10.852 77 H TRP 11 HN TRP 11 136.306 6.090 -5.552 78 HA TRP 11 HA TRP 11 134.181 4.215 -5.910 79 1HB TRP 11 HB2 TRP 11 134.449 6.494 -3.960 80 2HB TRP 11 HB1 TRP 11 133.244 5.224 -3.867 81 HD1 TRP 11 HD1 TRP 11 135.954 3.206 -4.788 82 HE1 TRP 11 HE1 TRP 11 137.334 2.369 -2.848 83 HE3 TRP 11 HE3 TRP 11 134.305 6.470 -1.240 84 HZ2 TRP 11 HZ2 TRP 11 137.658 2.983 -0.078 85 HZ3 TRP 11 HZ3 TRP 11 135.180 6.256 1.058 86 HH2 TRP 11 HH2 TRP 11 136.822 4.557 1.608 87 H GLY 12 HN GLY 12 134.698 7.384 -6.939 88 1HA GLY 12 HA2 GLY 12 131.921 8.188 -6.871 89 2HA GLY 12 HA1 GLY 12 133.270 9.136 -7.475 90 H GLU 13 HN GLU 13 133.460 6.112 -8.820 91 HA GLU 13 HA GLU 13 131.734 6.900 -11.019 92 1HB GLU 13 HB2 GLU 13 133.474 6.188 -12.644 93 2HB GLU 13 HB1 GLU 13 133.922 7.585 -11.691 94 1HG GLU 13 HG2 GLU 13 135.880 6.383 -11.743 95 2HG GLU 13 HG1 GLU 13 135.179 5.852 -10.219 96 H SER 14 HN SER 14 131.817 4.820 -8.745 97 HA SER 14 HA SER 14 130.381 2.832 -10.066 98 1HB SER 14 HB2 SER 14 132.631 2.151 -10.899 99 2HB SER 14 HB1 SER 14 133.162 1.976 -9.227 100 HG SER 14 HG SER 14 131.129 0.504 -10.555 101 H PHE 15 HN PHE 15 128.918 2.871 -8.472 102 HA PHE 15 HA PHE 15 129.370 3.038 -5.728 103 1HB PHE 15 HB2 PHE 15 127.188 3.457 -6.776 104 2HB PHE 15 HB1 PHE 15 127.060 1.763 -7.216 105 HD1 PHE 15 HD1 PHE 15 125.506 0.640 -5.976 106 HD2 PHE 15 HD2 PHE 15 127.808 3.659 -4.086 107 HE1 PHE 15 HE1 PHE 15 124.325 0.218 -3.862 108 HE2 PHE 15 HE2 PHE 15 126.637 3.236 -1.974 109 HZ PHE 15 HZ PHE 15 124.889 1.520 -1.861 110 H ASP 16 HN ASP 16 129.376 0.310 -7.900 111 HA ASP 16 HA ASP 16 129.304 -1.744 -5.941 112 1HB ASP 16 HB2 ASP 16 128.828 -2.252 -8.274 113 2HB ASP 16 HB1 ASP 16 130.455 -1.774 -8.740 114 H LYS 17 HN LYS 17 131.877 0.122 -7.365 115 HA LYS 17 HA LYS 17 134.050 -1.370 -6.308 116 1HB LYS 17 HB2 LYS 17 134.397 0.061 -8.187 117 2HB LYS 17 HB1 LYS 17 133.778 1.453 -7.318 118 1HG LYS 17 HG2 LYS 17 135.656 1.511 -5.920 119 2HG LYS 17 HG1 LYS 17 136.309 -0.002 -6.582 120 1HD LYS 17 HD2 LYS 17 135.896 2.608 -8.061 121 2HD LYS 17 HD1 LYS 17 137.448 1.940 -7.557 122 1HE LYS 17 HE2 LYS 17 137.145 0.040 -9.037 123 2HE LYS 17 HE1 LYS 17 135.540 0.616 -9.482 124 1HZ LYS 17 HZ1 LYS 17 136.540 2.563 -10.463 125 2HZ LYS 17 HZ2 LYS 17 137.160 1.156 -11.152 126 3HZ LYS 17 HZ3 LYS 17 138.102 2.013 -10.042 127 H LEU 18 HN LEU 18 132.336 1.474 -5.334 128 HA LEU 18 HA LEU 18 133.646 2.219 -2.995 129 1HB LEU 18 HB2 LEU 18 132.085 3.651 -3.982 130 2HB LEU 18 HB1 LEU 18 130.854 2.416 -4.049 131 HG LEU 18 HG LEU 18 130.617 2.587 -1.577 132 1HD1 LEU 18 HD11 LEU 18 132.420 4.970 -1.920 133 2HD1 LEU 18 HD12 LEU 18 132.835 3.477 -1.074 134 3HD1 LEU 18 HD13 LEU 18 131.562 4.523 -0.447 135 1HD2 LEU 18 HD21 LEU 18 129.443 4.703 -1.639 136 2HD2 LEU 18 HD22 LEU 18 129.167 3.731 -3.104 137 3HD2 LEU 18 HD23 LEU 18 130.282 5.097 -3.149 138 H LEU 19 HN LEU 19 130.906 0.137 -3.556 139 HA LEU 19 HA LEU 19 130.320 -0.401 -0.864 140 1HB LEU 19 HB2 LEU 19 128.941 -0.345 -3.039 141 2HB LEU 19 HB1 LEU 19 129.425 -2.016 -3.184 142 HG LEU 19 HG LEU 19 128.287 -2.554 -1.113 143 1HD1 LEU 19 HD11 LEU 19 128.710 -0.386 0.025 144 2HD1 LEU 19 HD12 LEU 19 127.006 -0.802 0.091 145 3HD1 LEU 19 HD13 LEU 19 127.589 0.403 -1.071 146 1HD2 LEU 19 HD21 LEU 19 126.657 -0.869 -3.006 147 2HD2 LEU 19 HD22 LEU 19 126.014 -2.104 -1.925 148 3HD2 LEU 19 HD23 LEU 19 127.089 -2.551 -3.259 149 H SER 20 HN SER 20 132.328 -2.028 -3.252 150 HA SER 20 HA SER 20 132.500 -4.404 -1.602 151 1HB SER 20 HB2 SER 20 134.039 -5.213 -3.445 152 2HB SER 20 HB1 SER 20 132.381 -4.862 -3.932 153 HG SER 20 HG SER 20 133.005 -3.108 -4.953 154 H HIS 21 HN HIS 21 133.879 -1.478 -1.484 155 HA HIS 21 HA HIS 21 136.519 -2.458 -0.618 156 1HB HIS 21 HB2 HIS 21 135.947 -0.308 -2.193 157 2HB HIS 21 HB1 HIS 21 135.768 0.439 -0.621 158 HD1 HIS 21 HD1 HIS 21 138.009 0.868 0.770 159 HD2 HIS 21 HD2 HIS 21 138.574 -1.011 -2.905 160 HE1 HIS 21 HE1 HIS 21 140.404 1.077 0.288 161 HE2 HIS 21 HE2 HIS 21 140.778 -0.312 -1.763 162 H ARG 22 HN ARG 22 136.788 -2.587 1.606 163 HA ARG 22 HA ARG 22 134.536 -2.359 3.311 164 1HB ARG 22 HB2 ARG 22 137.465 -2.485 4.010 165 2HB ARG 22 HB1 ARG 22 136.184 -2.495 5.211 166 1HG ARG 22 HG2 ARG 22 135.289 -4.553 4.135 167 2HG ARG 22 HG1 ARG 22 136.720 -4.563 3.097 168 1HD ARG 22 HD2 ARG 22 138.164 -4.724 5.013 169 2HD ARG 22 HD1 ARG 22 136.790 -4.571 6.102 170 HE ARG 22 HE ARG 22 137.230 -6.846 4.295 171 1HH1 ARG 22 HH11 ARG 22 136.208 -5.494 7.416 172 2HH1 ARG 22 HH12 ARG 22 135.799 -6.971 8.114 173 1HH2 ARG 22 HH21 ARG 22 136.660 -8.938 5.268 174 2HH2 ARG 22 HH22 ARG 22 136.071 -8.981 6.874 175 H ASP 23 HN ASP 23 137.223 -0.179 2.815 176 HA ASP 23 HA ASP 23 136.592 1.815 4.662 177 1HB ASP 23 HB2 ASP 23 137.691 2.307 1.891 178 2HB ASP 23 HB1 ASP 23 137.912 3.306 3.319 179 H GLY 24 HN GLY 24 135.230 1.118 1.495 180 1HA GLY 24 HA2 GLY 24 133.914 3.689 1.330 181 2HA GLY 24 HA1 GLY 24 133.845 2.420 0.130 182 H LEU 25 HN LEU 25 133.077 0.321 1.680 183 HA LEU 25 HA LEU 25 130.353 0.611 1.990 184 1HB LEU 25 HB2 LEU 25 130.910 -1.598 1.896 185 2HB LEU 25 HB1 LEU 25 132.406 -1.371 2.762 186 HG LEU 25 HG LEU 25 129.867 -1.273 4.353 187 1HD1 LEU 25 HD11 LEU 25 129.597 -3.227 2.858 188 2HD1 LEU 25 HD12 LEU 25 129.884 -3.717 4.528 189 3HD1 LEU 25 HD13 LEU 25 131.191 -3.805 3.346 190 1HD2 LEU 25 HD21 LEU 25 131.350 -2.379 6.002 191 2HD2 LEU 25 HD22 LEU 25 132.069 -0.872 5.419 192 3HD2 LEU 25 HD23 LEU 25 132.633 -2.411 4.788 193 H GLU 26 HN GLU 26 132.959 1.037 4.264 194 HA GLU 26 HA GLU 26 131.345 1.615 6.490 195 1HB GLU 26 HB2 GLU 26 133.618 0.733 6.519 196 2HB GLU 26 HB1 GLU 26 134.252 2.250 5.914 197 1HG GLU 26 HG2 GLU 26 132.818 1.993 8.559 198 2HG GLU 26 HG1 GLU 26 134.550 1.762 8.387 199 H ALA 27 HN ALA 27 132.834 3.658 3.940 200 HA ALA 27 HA ALA 27 132.175 6.138 5.177 201 1HB ALA 27 HB1 ALA 27 132.635 5.464 2.244 202 2HB ALA 27 HB2 ALA 27 133.836 6.143 3.338 203 3HB ALA 27 HB3 ALA 27 132.425 7.082 2.861 204 H PHE 28 HN PHE 28 130.576 4.165 2.745 205 HA PHE 28 HA PHE 28 128.375 5.881 2.355 206 1HB PHE 28 HB2 PHE 28 129.164 4.163 0.729 207 2HB PHE 28 HB1 PHE 28 128.535 2.926 1.803 208 HD1 PHE 28 HD1 PHE 28 127.529 5.859 -0.211 209 HD2 PHE 28 HD2 PHE 28 126.280 2.298 1.751 210 HE1 PHE 28 HE1 PHE 28 125.310 6.081 -1.231 211 HE2 PHE 28 HE2 PHE 28 124.057 2.514 0.730 212 HZ PHE 28 HZ PHE 28 123.575 4.408 -0.766 213 H THR 29 HN THR 29 128.937 3.102 4.456 214 HA THR 29 HA THR 29 126.260 2.890 5.228 215 HB THR 29 HB THR 29 128.161 1.133 5.553 216 HG1 THR 29 HG1 THR 29 126.213 1.534 7.640 217 1HG2 THR 29 HG21 THR 29 128.449 2.641 8.157 218 2HG2 THR 29 HG22 THR 29 129.658 2.506 6.878 219 3HG2 THR 29 HG23 THR 29 129.174 1.069 7.785 220 H ARG 30 HN ARG 30 128.863 4.977 6.407 221 HA ARG 30 HA ARG 30 127.615 5.978 8.764 222 1HB ARG 30 HB2 ARG 30 129.172 7.646 6.786 223 2HB ARG 30 HB1 ARG 30 128.918 7.987 8.481 224 1HG ARG 30 HG2 ARG 30 130.379 6.173 9.085 225 2HG ARG 30 HG1 ARG 30 130.560 5.734 7.377 226 1HD ARG 30 HD2 ARG 30 131.313 8.126 7.011 227 2HD ARG 30 HD1 ARG 30 131.451 8.233 8.762 228 HE ARG 30 HE ARG 30 132.861 6.023 8.147 229 1HH1 ARG 30 HH11 ARG 30 133.025 9.467 7.197 230 2HH1 ARG 30 HH12 ARG 30 134.636 9.383 6.661 231 1HH2 ARG 30 HH21 ARG 30 135.037 5.928 7.404 232 2HH2 ARG 30 HH22 ARG 30 135.824 7.350 6.796 233 H PHE 31 HN PHE 31 127.529 6.980 5.403 234 HA PHE 31 HA PHE 31 125.729 9.127 5.682 235 1HB PHE 31 HB2 PHE 31 127.174 8.824 3.723 236 2HB PHE 31 HB1 PHE 31 126.310 7.355 3.295 237 HD1 PHE 31 HD1 PHE 31 124.359 7.439 2.000 238 HD2 PHE 31 HD2 PHE 31 125.974 11.006 3.654 239 HE1 PHE 31 HE1 PHE 31 122.801 8.768 0.649 240 HE2 PHE 31 HE2 PHE 31 124.416 12.338 2.305 241 HZ PHE 31 HZ PHE 31 122.831 11.217 0.805 242 H LEU 32 HN LEU 32 125.268 5.721 5.154 243 HA LEU 32 HA LEU 32 122.475 5.848 4.627 244 1HB LEU 32 HB2 LEU 32 124.302 4.043 4.046 245 2HB LEU 32 HB1 LEU 32 123.907 3.428 5.629 246 HG LEU 32 HG LEU 32 121.633 2.986 4.941 247 1HD1 LEU 32 HD11 LEU 32 121.350 4.883 3.405 248 2HD1 LEU 32 HD12 LEU 32 120.941 3.359 2.615 249 3HD1 LEU 32 HD13 LEU 32 122.487 4.141 2.279 250 1HD2 LEU 32 HD21 LEU 32 123.666 2.020 2.932 251 2HD2 LEU 32 HD22 LEU 32 122.097 1.281 3.248 252 3HD2 LEU 32 HD23 LEU 32 123.338 1.284 4.500 253 H LYS 33 HN LYS 33 124.431 5.663 7.493 254 HA LYS 33 HA LYS 33 122.505 4.706 9.339 255 1HB LYS 33 HB2 LYS 33 124.981 6.377 9.814 256 2HB LYS 33 HB1 LYS 33 123.954 5.791 11.114 257 1HG LYS 33 HG2 LYS 33 124.477 3.490 10.431 258 2HG LYS 33 HG1 LYS 33 125.522 4.126 9.159 259 1HD LYS 33 HD2 LYS 33 126.847 5.294 10.921 260 2HD LYS 33 HD1 LYS 33 125.862 4.486 12.137 261 1HE LYS 33 HE2 LYS 33 127.639 3.138 10.095 262 2HE LYS 33 HE1 LYS 33 127.992 3.328 11.807 263 1HZ LYS 33 HZ1 LYS 33 126.036 1.896 12.288 264 2HZ LYS 33 HZ2 LYS 33 127.187 1.118 11.321 265 3HZ LYS 33 HZ3 LYS 33 125.805 1.720 10.606 266 H THR 34 HN THR 34 123.456 8.013 8.448 267 HA THR 34 HA THR 34 121.934 9.253 10.436 268 HB THR 34 HB THR 34 123.654 10.582 9.429 269 HG1 THR 34 HG1 THR 34 121.623 11.684 10.044 270 1HG2 THR 34 HG21 THR 34 122.138 10.404 6.822 271 2HG2 THR 34 HG22 THR 34 123.661 9.598 7.184 272 3HG2 THR 34 HG23 THR 34 123.593 11.361 7.104 273 H GLU 35 HN GLU 35 120.938 8.250 7.230 274 HA GLU 35 HA GLU 35 118.335 9.437 7.736 275 1HB GLU 35 HB2 GLU 35 117.832 8.720 5.393 276 2HB GLU 35 HB1 GLU 35 119.130 9.886 5.565 277 1HG GLU 35 HG2 GLU 35 120.745 7.988 5.385 278 2HG GLU 35 HG1 GLU 35 119.370 6.947 4.993 279 H PHE 36 HN PHE 36 119.742 6.816 8.730 280 HA PHE 36 HA PHE 36 119.240 4.761 9.384 281 1HB PHE 36 HB2 PHE 36 116.488 5.974 9.706 282 2HB PHE 36 HB1 PHE 36 117.000 4.448 10.414 283 HD1 PHE 36 HD1 PHE 36 118.675 4.430 12.214 284 HD2 PHE 36 HD2 PHE 36 117.120 8.064 10.645 285 HE1 PHE 36 HE1 PHE 36 119.490 5.631 14.198 286 HE2 PHE 36 HE2 PHE 36 117.937 9.276 12.623 287 HZ PHE 36 HZ PHE 36 119.123 8.059 14.403 288 H SER 37 HN SER 37 119.602 4.461 6.960 289 HA SER 37 HA SER 37 117.454 2.683 6.080 290 1HB SER 37 HB2 SER 37 119.072 4.551 4.323 291 2HB SER 37 HB1 SER 37 117.898 3.364 3.747 292 HG SER 37 HG SER 37 117.131 5.608 4.021 293 H GLU 38 HN GLU 38 120.082 2.441 7.560 294 HA GLU 38 HA GLU 38 121.960 1.245 5.800 295 1HB GLU 38 HB2 GLU 38 122.555 2.246 7.997 296 2HB GLU 38 HB1 GLU 38 121.715 0.927 8.802 297 1HG GLU 38 HG2 GLU 38 123.273 -0.661 7.803 298 2HG GLU 38 HG1 GLU 38 124.115 0.674 7.018 299 H GLU 39 HN GLU 39 119.122 0.250 7.224 300 HA GLU 39 HA GLU 39 119.227 -2.504 7.490 301 1HB GLU 39 HB2 GLU 39 116.774 -2.364 6.953 302 2HB GLU 39 HB1 GLU 39 117.328 -1.286 8.230 303 1HG GLU 39 HG2 GLU 39 117.454 0.547 6.567 304 2HG GLU 39 HG1 GLU 39 116.762 -0.543 5.369 305 H ASN 40 HN ASN 40 119.142 -0.546 4.591 306 HA ASN 40 HA ASN 40 118.437 -2.643 2.778 307 1HB ASN 40 HB2 ASN 40 119.898 -0.029 2.237 308 2HB ASN 40 HB1 ASN 40 119.221 -1.078 1.006 309 1HD2 ASN 40 HD21 ASN 40 116.750 -1.593 2.661 310 2HD2 ASN 40 HD22 ASN 40 115.856 -0.126 2.564 311 H ILE 41 HN ILE 41 121.428 -1.167 3.867 312 HA ILE 41 HA ILE 41 123.095 -2.770 2.266 313 HB ILE 41 HB ILE 41 123.520 -0.518 3.892 314 1HG1 ILE 41 HG12 ILE 41 125.543 -2.250 2.461 315 2HG1 ILE 41 HG11 ILE 41 124.554 -0.992 1.746 316 1HG2 ILE 41 HG21 ILE 41 125.190 -2.772 5.028 317 2HG2 ILE 41 HG22 ILE 41 123.934 -1.876 5.872 318 3HG2 ILE 41 HG23 ILE 41 125.402 -1.045 5.352 319 1HD1 ILE 41 HD11 ILE 41 126.817 -0.249 2.066 320 2HD1 ILE 41 HD12 ILE 41 126.722 -0.591 3.797 321 3HD1 ILE 41 HD13 ILE 41 125.727 0.688 3.091 322 H GLU 42 HN GLU 42 121.864 -3.072 5.579 323 HA GLU 42 HA GLU 42 123.214 -5.498 5.642 324 1HB GLU 42 HB2 GLU 42 121.771 -4.159 7.817 325 2HB GLU 42 HB1 GLU 42 121.947 -5.910 7.926 326 1HG GLU 42 HG2 GLU 42 124.392 -5.526 7.400 327 2HG GLU 42 HG1 GLU 42 124.151 -3.853 7.770 328 H PHE 43 HN PHE 43 120.496 -4.821 4.241 329 HA PHE 43 HA PHE 43 119.178 -7.294 4.516 330 1HB PHE 43 HB2 PHE 43 117.949 -5.609 3.410 331 2HB PHE 43 HB1 PHE 43 119.293 -5.216 2.345 332 HD1 PHE 43 HD1 PHE 43 116.879 -7.916 3.121 333 HD2 PHE 43 HD2 PHE 43 119.398 -6.109 0.230 334 HE1 PHE 43 HE1 PHE 43 115.903 -9.332 1.387 335 HE2 PHE 43 HE2 PHE 43 118.442 -7.539 -1.517 336 HZ PHE 43 HZ PHE 43 116.682 -9.143 -0.951 337 H TRP 44 HN TRP 44 121.488 -6.047 2.085 338 HA TRP 44 HA TRP 44 121.816 -8.801 1.415 339 1HB TRP 44 HB2 TRP 44 123.466 -8.146 -0.365 340 2HB TRP 44 HB1 TRP 44 121.819 -7.592 -0.556 341 HD1 TRP 44 HD1 TRP 44 121.626 -5.222 -1.323 342 HE1 TRP 44 HE1 TRP 44 123.113 -3.168 -1.331 343 HE3 TRP 44 HE3 TRP 44 125.562 -7.069 1.368 344 HZ2 TRP 44 HZ2 TRP 44 125.626 -2.395 -0.288 345 HZ3 TRP 44 HZ3 TRP 44 127.466 -5.590 1.826 346 HH2 TRP 44 HH2 TRP 44 127.497 -3.305 1.009 347 H ILE 45 HN ILE 45 123.476 -6.798 3.505 348 HA ILE 45 HA ILE 45 125.783 -8.394 3.672 349 HB ILE 45 HB ILE 45 124.410 -6.596 5.653 350 1HG1 ILE 45 HG12 ILE 45 127.123 -6.508 4.344 351 2HG1 ILE 45 HG11 ILE 45 125.714 -5.567 3.887 352 1HG2 ILE 45 HG21 ILE 45 126.848 -8.125 6.436 353 2HG2 ILE 45 HG22 ILE 45 125.199 -8.406 7.002 354 3HG2 ILE 45 HG23 ILE 45 125.984 -6.856 7.340 355 1HD1 ILE 45 HD11 ILE 45 127.322 -4.244 5.095 356 2HD1 ILE 45 HD12 ILE 45 127.232 -5.343 6.476 357 3HD1 ILE 45 HD13 ILE 45 125.823 -4.379 6.014 358 H ALA 46 HN ALA 46 122.557 -8.721 5.081 359 HA ALA 46 HA ALA 46 123.017 -11.067 6.540 360 1HB ALA 46 HB1 ALA 46 120.910 -9.850 6.808 361 2HB ALA 46 HB2 ALA 46 120.542 -11.487 6.213 362 3HB ALA 46 HB3 ALA 46 120.501 -10.135 5.118 363 H CYS 47 HN CYS 47 122.071 -10.438 3.239 364 HA CYS 47 HA CYS 47 121.672 -12.999 2.276 365 1HB CYS 47 HB2 CYS 47 120.969 -11.164 0.954 366 2HB CYS 47 HB1 CYS 47 122.587 -10.478 0.914 367 HG CYS 47 HG CYS 47 123.591 -11.953 -0.953 368 H GLU 48 HN GLU 48 124.742 -11.128 2.017 369 HA GLU 48 HA GLU 48 126.046 -13.361 0.834 370 1HB GLU 48 HB2 GLU 48 127.565 -11.083 2.144 371 2HB GLU 48 HB1 GLU 48 127.977 -12.176 0.802 372 1HG GLU 48 HG2 GLU 48 125.823 -10.113 0.619 373 2HG GLU 48 HG1 GLU 48 127.481 -9.903 0.046 374 H ASP 49 HN ASP 49 125.637 -12.289 4.092 375 HA ASP 49 HA ASP 49 127.534 -13.988 5.365 376 1HB ASP 49 HB2 ASP 49 126.615 -12.117 6.563 377 2HB ASP 49 HB1 ASP 49 124.976 -12.697 6.319 378 H PHE 50 HN PHE 50 124.210 -14.299 4.429 379 HA PHE 50 HA PHE 50 123.656 -16.870 5.412 380 1HB PHE 50 HB2 PHE 50 121.887 -15.409 4.758 381 2HB PHE 50 HB1 PHE 50 122.596 -15.145 3.178 382 HD1 PHE 50 HD1 PHE 50 122.280 -16.720 1.413 383 HD2 PHE 50 HD2 PHE 50 120.631 -17.352 5.256 384 HE1 PHE 50 HE1 PHE 50 120.818 -18.439 0.490 385 HE2 PHE 50 HE2 PHE 50 119.165 -19.081 4.338 386 HZ PHE 50 HZ PHE 50 119.261 -19.626 1.954 387 H LYS 51 HN LYS 51 124.894 -15.648 2.397 388 HA LYS 51 HA LYS 51 125.104 -18.073 0.975 389 1HB LYS 51 HB2 LYS 51 126.373 -15.385 0.616 390 2HB LYS 51 HB1 LYS 51 126.646 -16.718 -0.494 391 1HG LYS 51 HG2 LYS 51 124.378 -16.773 -1.123 392 2HG LYS 51 HG1 LYS 51 123.928 -15.690 0.188 393 1HD LYS 51 HD2 LYS 51 123.960 -14.613 -2.055 394 2HD LYS 51 HD1 LYS 51 125.001 -13.838 -0.874 395 1HE LYS 51 HE2 LYS 51 126.163 -15.886 -2.714 396 2HE LYS 51 HE1 LYS 51 125.796 -14.289 -3.346 397 1HZ LYS 51 HZ1 LYS 51 127.230 -13.317 -1.723 398 2HZ LYS 51 HZ2 LYS 51 128.099 -14.433 -2.593 399 3HZ LYS 51 HZ3 LYS 51 127.636 -14.802 -1.018 400 H LYS 52 HN LYS 52 127.181 -16.695 3.372 401 HA LYS 52 HA LYS 52 129.397 -18.347 2.479 402 1HB LYS 52 HB2 LYS 52 130.764 -17.301 4.190 403 2HB LYS 52 HB1 LYS 52 129.887 -16.056 3.292 404 1HG LYS 52 HG2 LYS 52 128.269 -15.945 5.159 405 2HG LYS 52 HG1 LYS 52 129.263 -17.101 6.040 406 1HD LYS 52 HD2 LYS 52 129.760 -14.856 6.795 407 2HD LYS 52 HD1 LYS 52 131.153 -15.509 5.927 408 1HE LYS 52 HE2 LYS 52 130.583 -14.232 3.961 409 2HE LYS 52 HE1 LYS 52 129.075 -13.698 4.697 410 1HZ LYS 52 HZ1 LYS 52 130.723 -11.972 4.823 411 2HZ LYS 52 HZ2 LYS 52 131.820 -12.978 5.621 412 3HZ LYS 52 HZ3 LYS 52 130.360 -12.536 6.372 413 H SER 53 HN SER 53 126.683 -18.906 4.213 414 HA SER 53 HA SER 53 127.771 -20.625 6.233 415 1HB SER 53 HB2 SER 53 124.953 -20.410 5.148 416 2HB SER 53 HB1 SER 53 125.439 -21.163 6.668 417 HG SER 53 HG SER 53 126.417 -18.882 6.984 418 H LYS 54 HN LYS 54 126.892 -22.995 6.202 419 HA LYS 54 HA LYS 54 126.954 -24.071 3.497 420 1HB LYS 54 HB2 LYS 54 128.609 -25.846 4.226 421 2HB LYS 54 HB1 LYS 54 129.245 -24.231 4.005 422 1HG LYS 54 HG2 LYS 54 130.270 -25.177 5.950 423 2HG LYS 54 HG1 LYS 54 129.156 -23.927 6.488 424 1HD LYS 54 HD2 LYS 54 127.503 -25.653 7.038 425 2HD LYS 54 HD1 LYS 54 128.630 -26.896 6.493 426 1HE LYS 54 HE2 LYS 54 130.215 -26.187 8.229 427 2HE LYS 54 HE1 LYS 54 129.051 -24.979 8.778 428 1HZ LYS 54 HZ1 LYS 54 127.521 -26.720 9.384 429 2HZ LYS 54 HZ2 LYS 54 129.027 -27.055 10.082 430 3HZ LYS 54 HZ3 LYS 54 128.526 -27.889 8.690 431 H GLY 55 HN GLY 55 125.530 -24.127 6.500 432 1HA GLY 55 HA2 GLY 55 124.805 -26.929 6.509 433 2HA GLY 55 HA1 GLY 55 124.245 -25.687 7.631 434 HA PRO 56 HA PRO 56 121.752 -25.901 3.495 435 1HB PRO 56 HB2 PRO 56 120.567 -28.344 3.252 436 2HB PRO 56 HB1 PRO 56 122.120 -27.899 2.514 437 1HG PRO 56 HG2 PRO 56 121.595 -29.413 5.045 438 2HG PRO 56 HG1 PRO 56 122.772 -29.757 3.762 439 1HD PRO 56 HD2 PRO 56 123.461 -28.540 6.074 440 2HD PRO 56 HD1 PRO 56 124.261 -28.175 4.532 441 H GLN 57 HN GLN 57 120.891 -27.517 6.512 442 HA GLN 57 HA GLN 57 118.085 -26.949 6.182 443 1HB GLN 57 HB2 GLN 57 119.556 -27.660 8.727 444 2HB GLN 57 HB1 GLN 57 117.823 -27.769 8.448 445 1HG GLN 57 HG2 GLN 57 118.261 -29.508 6.744 446 2HG GLN 57 HG1 GLN 57 119.970 -29.439 7.169 447 1HE2 GLN 57 HE21 GLN 57 120.116 -31.483 7.923 448 2HE2 GLN 57 HE22 GLN 57 119.311 -32.057 9.332 449 H GLN 58 HN GLN 58 120.872 -25.628 7.765 450 HA GLN 58 HA GLN 58 119.795 -23.464 9.163 451 1HB GLN 58 HB2 GLN 58 122.134 -24.159 9.374 452 2HB GLN 58 HB1 GLN 58 122.434 -23.765 7.696 453 1HG GLN 58 HG2 GLN 58 123.413 -22.128 9.136 454 2HG GLN 58 HG1 GLN 58 122.125 -21.378 8.215 455 1HE2 GLN 58 HE21 GLN 58 121.727 -23.422 11.101 456 2HE2 GLN 58 HE22 GLN 58 121.096 -22.143 12.082 457 H ILE 59 HN ILE 59 120.774 -23.838 5.813 458 HA ILE 59 HA ILE 59 120.371 -21.296 4.789 459 HB ILE 59 HB ILE 59 119.632 -23.868 3.379 460 1HG1 ILE 59 HG12 ILE 59 121.875 -24.159 4.096 461 2HG1 ILE 59 HG11 ILE 59 121.940 -23.747 2.390 462 1HG2 ILE 59 HG21 ILE 59 120.430 -21.229 2.206 463 2HG2 ILE 59 HG22 ILE 59 118.808 -21.885 2.294 464 3HG2 ILE 59 HG23 ILE 59 120.032 -22.704 1.308 465 1HD1 ILE 59 HD11 ILE 59 123.685 -22.729 3.721 466 2HD1 ILE 59 HD12 ILE 59 122.476 -21.872 4.676 467 3HD1 ILE 59 HD13 ILE 59 122.667 -21.507 2.946 468 H HIS 60 HN HIS 60 118.043 -23.907 5.148 469 HA HIS 60 HA HIS 60 115.782 -22.693 3.995 470 1HB HIS 60 HB2 HIS 60 115.892 -24.718 6.231 471 2HB HIS 60 HB1 HIS 60 114.391 -24.183 5.499 472 HD1 HIS 60 HD1 HIS 60 113.735 -25.227 3.287 473 HD2 HIS 60 HD2 HIS 60 117.515 -26.282 4.556 474 HE1 HIS 60 HE1 HIS 60 114.504 -27.028 1.687 475 HE2 HIS 60 HE2 HIS 60 116.633 -27.866 2.784 476 H LEU 61 HN LEU 61 116.567 -22.900 7.412 477 HA LEU 61 HA LEU 61 114.416 -21.272 8.195 478 1HB LEU 61 HB2 LEU 61 115.502 -21.336 10.434 479 2HB LEU 61 HB1 LEU 61 115.214 -22.885 9.664 480 HG LEU 61 HG LEU 61 117.744 -22.439 8.900 481 1HD1 LEU 61 HD11 LEU 61 118.010 -20.413 10.135 482 2HD1 LEU 61 HD12 LEU 61 119.039 -21.678 10.802 483 3HD1 LEU 61 HD13 LEU 61 117.548 -21.224 11.632 484 1HD2 LEU 61 HD21 LEU 61 116.906 -24.466 9.779 485 2HD2 LEU 61 HD22 LEU 61 116.782 -23.789 11.414 486 3HD2 LEU 61 HD23 LEU 61 118.369 -24.035 10.666 487 H LYS 62 HN LYS 62 117.725 -20.538 7.497 488 HA LYS 62 HA LYS 62 117.641 -17.817 8.338 489 1HB LYS 62 HB2 LYS 62 119.444 -19.399 6.573 490 2HB LYS 62 HB1 LYS 62 119.555 -17.649 6.556 491 1HG LYS 62 HG2 LYS 62 119.716 -19.232 9.089 492 2HG LYS 62 HG1 LYS 62 121.129 -18.908 8.079 493 1HD LYS 62 HD2 LYS 62 120.726 -16.509 8.273 494 2HD LYS 62 HD1 LYS 62 119.302 -16.822 9.267 495 1HE LYS 62 HE2 LYS 62 121.316 -16.197 10.575 496 2HE LYS 62 HE1 LYS 62 120.649 -17.770 11.002 497 1HZ LYS 62 HZ1 LYS 62 122.987 -17.398 9.174 498 2HZ LYS 62 HZ2 LYS 62 122.376 -18.854 9.822 499 3HZ LYS 62 HZ3 LYS 62 123.075 -17.704 10.831 500 H ALA 63 HN ALA 63 117.261 -19.316 5.127 501 HA ALA 63 HA ALA 63 116.835 -16.922 3.749 502 1HB ALA 63 HB1 ALA 63 117.360 -19.122 2.653 503 2HB ALA 63 HB2 ALA 63 116.019 -18.268 1.911 504 3HB ALA 63 HB3 ALA 63 115.707 -19.611 3.019 505 H LYS 64 HN LYS 64 114.543 -19.226 5.109 506 HA LYS 64 HA LYS 64 112.207 -17.830 4.452 507 1HB LYS 64 HB2 LYS 64 112.772 -19.692 6.749 508 2HB LYS 64 HB1 LYS 64 111.186 -19.000 6.467 509 1HG LYS 64 HG2 LYS 64 112.693 -20.742 4.520 510 2HG LYS 64 HG1 LYS 64 111.403 -21.284 5.594 511 1HD LYS 64 HD2 LYS 64 111.134 -19.206 3.412 512 2HD LYS 64 HD1 LYS 64 110.579 -20.874 3.315 513 1HE LYS 64 HE2 LYS 64 109.577 -18.777 5.257 514 2HE LYS 64 HE1 LYS 64 108.730 -19.327 3.815 515 1HZ LYS 64 HZ1 LYS 64 108.692 -21.569 4.810 516 2HZ LYS 64 HZ2 LYS 64 107.838 -20.434 5.725 517 3HZ LYS 64 HZ3 LYS 64 109.348 -20.952 6.240 518 H ALA 65 HN ALA 65 114.410 -17.377 7.133 519 HA ALA 65 HA ALA 65 112.759 -15.607 8.605 520 1HB ALA 65 HB1 ALA 65 114.666 -16.758 9.629 521 2HB ALA 65 HB2 ALA 65 114.797 -15.010 9.820 522 3HB ALA 65 HB3 ALA 65 115.769 -15.841 8.605 523 H ILE 66 HN ILE 66 115.484 -15.054 6.401 524 HA ILE 66 HA ILE 66 115.274 -12.235 6.409 525 HB ILE 66 HB ILE 66 116.545 -14.064 4.323 526 1HG1 ILE 66 HG12 ILE 66 117.783 -12.652 6.701 527 2HG1 ILE 66 HG11 ILE 66 117.458 -14.375 6.589 528 1HG2 ILE 66 HG21 ILE 66 117.968 -12.064 3.800 529 2HG2 ILE 66 HG22 ILE 66 116.843 -11.085 4.746 530 3HG2 ILE 66 HG23 ILE 66 116.282 -11.954 3.301 531 1HD1 ILE 66 HD11 ILE 66 119.441 -12.796 4.959 532 2HD1 ILE 66 HD12 ILE 66 119.073 -14.506 4.708 533 3HD1 ILE 66 HD13 ILE 66 119.796 -13.972 6.221 534 H TYR 67 HN TYR 67 113.809 -14.728 4.483 535 HA TYR 67 HA TYR 67 112.633 -13.273 2.423 536 1HB TYR 67 HB2 TYR 67 112.670 -15.697 2.470 537 2HB TYR 67 HB1 TYR 67 111.647 -15.715 3.896 538 HD1 TYR 67 HD1 TYR 67 111.628 -14.419 0.398 539 HD2 TYR 67 HD2 TYR 67 109.424 -16.143 3.596 540 HE1 TYR 67 HE1 TYR 67 109.725 -14.521 -1.028 541 HE2 TYR 67 HE2 TYR 67 107.442 -16.299 2.164 542 HH TYR 67 HH TYR 67 106.554 -15.135 0.175 543 H GLU 68 HN GLU 68 110.941 -14.248 5.445 544 HA GLU 68 HA GLU 68 108.787 -12.497 4.723 545 1HB GLU 68 HB2 GLU 68 109.201 -14.102 7.221 546 2HB GLU 68 HB1 GLU 68 107.762 -13.161 6.869 547 1HG GLU 68 HG2 GLU 68 107.504 -14.525 4.781 548 2HG GLU 68 HG1 GLU 68 108.798 -15.560 5.380 549 H LYS 69 HN LYS 69 111.598 -12.003 6.394 550 HA LYS 69 HA LYS 69 110.565 -9.779 7.944 551 1HB LYS 69 HB2 LYS 69 112.127 -11.231 9.007 552 2HB LYS 69 HB1 LYS 69 113.259 -11.077 7.689 553 1HG LYS 69 HG2 LYS 69 113.772 -8.824 8.327 554 2HG LYS 69 HG1 LYS 69 112.498 -8.844 9.552 555 1HD LYS 69 HD2 LYS 69 114.726 -9.230 10.530 556 2HD LYS 69 HD1 LYS 69 113.642 -10.598 10.769 557 1HE LYS 69 HE2 LYS 69 114.714 -11.714 8.820 558 2HE LYS 69 HE1 LYS 69 115.850 -10.370 8.722 559 1HZ LYS 69 HZ1 LYS 69 116.641 -10.906 10.926 560 2HZ LYS 69 HZ2 LYS 69 116.739 -12.298 9.965 561 3HZ LYS 69 HZ3 LYS 69 115.481 -12.105 11.083 562 H PHE 70 HN PHE 70 111.931 -10.301 4.829 563 HA PHE 70 HA PHE 70 112.500 -7.462 4.594 564 1HB PHE 70 HB2 PHE 70 114.417 -9.695 3.976 565 2HB PHE 70 HB1 PHE 70 114.525 -8.151 3.158 566 HD1 PHE 70 HD1 PHE 70 115.487 -10.052 5.990 567 HD2 PHE 70 HD2 PHE 70 114.813 -6.077 4.639 568 HE1 PHE 70 HE1 PHE 70 116.912 -9.193 7.802 569 HE2 PHE 70 HE2 PHE 70 116.234 -5.212 6.448 570 HZ PHE 70 HZ PHE 70 117.288 -6.771 8.030 571 H ILE 71 HN ILE 71 112.614 -10.483 2.714 572 HA ILE 71 HA ILE 71 112.236 -9.350 0.179 573 HB ILE 71 HB ILE 71 111.597 -12.134 1.179 574 1HG1 ILE 71 HG12 ILE 71 113.907 -11.645 1.438 575 2HG1 ILE 71 HG11 ILE 71 113.753 -12.694 0.036 576 1HG2 ILE 71 HG21 ILE 71 110.383 -11.535 -1.009 577 2HG2 ILE 71 HG22 ILE 71 111.334 -12.977 -0.959 578 3HG2 ILE 71 HG23 ILE 71 111.995 -11.543 -1.764 579 1HD1 ILE 71 HD11 ILE 71 113.939 -10.698 -1.426 580 2HD1 ILE 71 HD12 ILE 71 115.356 -10.960 -0.414 581 3HD1 ILE 71 HD13 ILE 71 114.186 -9.716 0.016 582 H GLN 72 HN GLN 72 110.048 -10.382 2.595 583 HA GLN 72 HA GLN 72 107.689 -10.550 1.071 584 1HB GLN 72 HB2 GLN 72 108.033 -11.451 3.385 585 2HB GLN 72 HB1 GLN 72 107.911 -9.789 3.983 586 1HG GLN 72 HG2 GLN 72 105.799 -10.884 4.256 587 2HG GLN 72 HG1 GLN 72 105.678 -9.648 3.009 588 1HE2 GLN 72 HE21 GLN 72 105.663 -13.040 3.651 589 2HE2 GLN 72 HE22 GLN 72 105.151 -13.541 2.079 590 H THR 73 HN THR 73 106.126 -9.046 0.644 591 HA THR 73 HA THR 73 106.983 -6.329 0.484 592 HB THR 73 HB THR 73 104.247 -7.519 -0.074 593 HG1 THR 73 HG1 THR 73 105.124 -8.191 -1.842 594 1HG2 THR 73 HG21 THR 73 105.492 -4.909 -0.990 595 2HG2 THR 73 HG22 THR 73 104.204 -5.065 0.208 596 3HG2 THR 73 HG23 THR 73 103.907 -5.524 -1.471 597 H ASP 74 HN ASP 74 104.385 -7.955 2.280 598 HA ASP 74 HA ASP 74 104.416 -5.703 4.105 599 1HB ASP 74 HB2 ASP 74 102.613 -8.135 4.014 600 2HB ASP 74 HB1 ASP 74 102.585 -6.978 5.341 601 H ALA 75 HN ALA 75 106.498 -6.010 4.653 602 HA ALA 75 HA ALA 75 107.061 -8.213 6.534 603 1HB ALA 75 HB1 ALA 75 108.901 -6.661 4.713 604 2HB ALA 75 HB2 ALA 75 108.500 -8.384 4.600 605 3HB ALA 75 HB3 ALA 75 109.436 -7.758 5.975 606 HA PRO 76 HA PRO 76 107.723 -5.082 9.623 607 1HB PRO 76 HB2 PRO 76 109.929 -6.042 10.934 608 2HB PRO 76 HB1 PRO 76 108.303 -6.706 11.147 609 1HG PRO 76 HG2 PRO 76 110.533 -7.687 9.401 610 2HG PRO 76 HG1 PRO 76 109.458 -8.618 10.467 611 1HD PRO 76 HD2 PRO 76 109.085 -8.501 7.829 612 2HD PRO 76 HD1 PRO 76 107.708 -8.532 8.947 613 H LYS 77 HN LYS 77 110.268 -5.919 7.418 614 HA LYS 77 HA LYS 77 111.506 -3.305 7.942 615 1HB LYS 77 HB2 LYS 77 112.814 -5.867 7.054 616 2HB LYS 77 HB1 LYS 77 113.600 -4.304 6.893 617 1HG LYS 77 HG2 LYS 77 112.630 -5.477 9.493 618 2HG LYS 77 HG1 LYS 77 114.296 -5.546 8.906 619 1HD LYS 77 HD2 LYS 77 114.413 -3.113 8.900 620 2HD LYS 77 HD1 LYS 77 112.732 -3.016 9.417 621 1HE LYS 77 HE2 LYS 77 114.244 -2.649 11.290 622 2HE LYS 77 HE1 LYS 77 113.311 -4.125 11.515 623 1HZ LYS 77 HZ1 LYS 77 116.139 -4.035 10.545 624 2HZ LYS 77 HZ2 LYS 77 115.228 -5.406 10.801 625 3HZ LYS 77 HZ3 LYS 77 115.646 -4.449 12.101 626 H GLU 78 HN GLU 78 110.930 -5.654 5.348 627 HA GLU 78 HA GLU 78 110.314 -5.451 3.205 628 1HB GLU 78 HB2 GLU 78 110.031 -2.493 3.763 629 2HB GLU 78 HB1 GLU 78 109.596 -3.262 2.241 630 1HG GLU 78 HG2 GLU 78 107.903 -4.569 3.350 631 2HG GLU 78 HG1 GLU 78 108.380 -3.902 4.913 632 H VAL 79 HN VAL 79 111.234 -4.934 1.131 633 HA VAL 79 HA VAL 79 114.022 -4.057 1.428 634 HB VAL 79 HB VAL 79 112.860 -6.491 0.081 635 1HG1 VAL 79 HG11 VAL 79 114.992 -7.018 -0.933 636 2HG1 VAL 79 HG12 VAL 79 115.653 -5.473 -0.396 637 3HG1 VAL 79 HG13 VAL 79 114.372 -5.512 -1.609 638 1HG2 VAL 79 HG21 VAL 79 115.084 -5.964 1.957 639 2HG2 VAL 79 HG22 VAL 79 114.662 -7.544 1.317 640 3HG2 VAL 79 HG23 VAL 79 113.505 -6.652 2.316 641 H ASN 80 HN ASN 80 111.447 -3.164 0.224 642 HA ASN 80 HA ASN 80 110.535 -2.598 -1.846 643 1HB ASN 80 HB2 ASN 80 111.298 -0.376 -2.713 644 2HB ASN 80 HB1 ASN 80 110.961 -0.365 -0.999 645 1HD2 ASN 80 HD21 ASN 80 113.603 -1.281 -0.158 646 2HD2 ASN 80 HD22 ASN 80 114.713 -0.044 -0.564 647 H LEU 81 HN LEU 81 111.398 -4.638 -2.382 648 HA LEU 81 HA LEU 81 113.500 -4.806 -4.312 649 1HB LEU 81 HB2 LEU 81 113.366 -6.351 -2.626 650 2HB LEU 81 HB1 LEU 81 111.681 -6.784 -2.962 651 HG LEU 81 HG LEU 81 112.639 -7.730 -5.161 652 1HD1 LEU 81 HD11 LEU 81 114.947 -8.202 -5.159 653 2HD1 LEU 81 HD12 LEU 81 115.160 -7.349 -3.634 654 3HD1 LEU 81 HD13 LEU 81 114.677 -6.457 -5.094 655 1HD2 LEU 81 HD21 LEU 81 113.417 -9.760 -4.083 656 2HD2 LEU 81 HD22 LEU 81 111.986 -9.142 -3.264 657 3HD2 LEU 81 HD23 LEU 81 113.578 -8.924 -2.542 658 H ASP 82 HN ASP 82 113.311 -5.136 -6.362 659 HA ASP 82 HA ASP 82 111.296 -4.639 -8.098 660 1HB ASP 82 HB2 ASP 82 113.596 -5.017 -8.779 661 2HB ASP 82 HB1 ASP 82 113.475 -6.715 -8.353 662 H PHE 83 HN PHE 83 109.631 -5.674 -8.999 663 HA PHE 83 HA PHE 83 108.161 -7.512 -7.514 664 1HB PHE 83 HB2 PHE 83 107.233 -5.822 -9.053 665 2HB PHE 83 HB1 PHE 83 107.865 -6.727 -10.415 666 HD1 PHE 83 HD1 PHE 83 105.546 -7.008 -7.527 667 HD2 PHE 83 HD2 PHE 83 106.536 -8.315 -11.454 668 HE1 PHE 83 HE1 PHE 83 103.411 -8.221 -7.657 669 HE2 PHE 83 HE2 PHE 83 104.408 -9.532 -11.588 670 HZ PHE 83 HZ PHE 83 102.839 -9.486 -9.690 671 H HIS 84 HN HIS 84 109.963 -8.009 -10.554 672 HA HIS 84 HA HIS 84 109.311 -10.768 -10.677 673 1HB HIS 84 HB2 HIS 84 109.893 -9.569 -12.729 674 2HB HIS 84 HB1 HIS 84 111.510 -9.250 -12.108 675 HD1 HIS 84 HD1 HIS 84 109.349 -12.154 -13.202 676 HD2 HIS 84 HD2 HIS 84 113.348 -11.209 -12.644 677 HE1 HIS 84 HE1 HIS 84 110.640 -14.152 -14.014 678 HE2 HIS 84 HE2 HIS 84 113.034 -13.412 -13.949 679 H THR 85 HN THR 85 112.037 -8.991 -9.330 680 HA THR 85 HA THR 85 113.587 -11.262 -8.780 681 HB THR 85 HB THR 85 113.518 -8.609 -7.313 682 HG1 THR 85 HG1 THR 85 114.929 -9.640 -9.539 683 1HG2 THR 85 HG21 THR 85 114.588 -10.328 -5.909 684 2HG2 THR 85 HG22 THR 85 115.800 -9.245 -6.535 685 3HG2 THR 85 HG23 THR 85 115.584 -10.834 -7.271 686 H LYS 86 HN LYS 86 111.188 -9.547 -6.788 687 HA LYS 86 HA LYS 86 111.153 -11.175 -4.522 688 1HB LYS 86 HB2 LYS 86 108.747 -9.915 -5.891 689 2HB LYS 86 HB1 LYS 86 108.771 -10.734 -4.334 690 1HG LYS 86 HG2 LYS 86 110.026 -9.050 -3.327 691 2HG LYS 86 HG1 LYS 86 110.370 -8.276 -4.881 692 1HD LYS 86 HD2 LYS 86 108.115 -7.617 -5.166 693 2HD LYS 86 HD1 LYS 86 107.567 -8.666 -3.859 694 1HE LYS 86 HE2 LYS 86 109.446 -6.368 -3.420 695 2HE LYS 86 HE1 LYS 86 107.695 -6.180 -3.377 696 1HZ LYS 86 HZ1 LYS 86 108.773 -6.556 -1.164 697 2HZ LYS 86 HZ2 LYS 86 109.088 -8.167 -1.622 698 3HZ LYS 86 HZ3 LYS 86 107.516 -7.587 -1.576 699 H GLU 87 HN GLU 87 109.310 -11.502 -7.521 700 HA GLU 87 HA GLU 87 107.822 -13.731 -6.998 701 1HB GLU 87 HB2 GLU 87 107.496 -12.491 -9.030 702 2HB GLU 87 HB1 GLU 87 109.097 -12.934 -9.611 703 1HG GLU 87 HG2 GLU 87 108.412 -15.277 -9.706 704 2HG GLU 87 HG1 GLU 87 106.806 -14.827 -9.138 705 H VAL 88 HN VAL 88 111.069 -13.742 -8.410 706 HA VAL 88 HA VAL 88 111.147 -16.537 -8.617 707 HB VAL 88 HB VAL 88 113.567 -14.726 -8.381 708 1HG1 VAL 88 HG11 VAL 88 114.660 -16.530 -9.676 709 2HG1 VAL 88 HG12 VAL 88 113.133 -17.440 -9.553 710 3HG1 VAL 88 HG13 VAL 88 114.051 -17.079 -8.101 711 1HG2 VAL 88 HG21 VAL 88 113.543 -14.677 -10.837 712 2HG2 VAL 88 HG22 VAL 88 112.081 -13.953 -10.167 713 3HG2 VAL 88 HG23 VAL 88 112.029 -15.579 -10.841 714 H ILE 89 HN ILE 89 112.056 -14.391 -6.002 715 HA ILE 89 HA ILE 89 113.298 -16.350 -4.355 716 HB ILE 89 HB ILE 89 111.874 -13.801 -3.529 717 1HG1 ILE 89 HG12 ILE 89 114.806 -14.272 -4.077 718 2HG1 ILE 89 HG11 ILE 89 113.692 -13.447 -5.160 719 1HG2 ILE 89 HG21 ILE 89 113.223 -13.904 -1.495 720 2HG2 ILE 89 HG22 ILE 89 113.923 -15.442 -2.004 721 3HG2 ILE 89 HG23 ILE 89 112.199 -15.324 -1.629 722 1HD1 ILE 89 HD11 ILE 89 114.976 -11.826 -3.979 723 2HD1 ILE 89 HD12 ILE 89 114.574 -12.578 -2.436 724 3HD1 ILE 89 HD13 ILE 89 113.318 -11.771 -3.361 725 H THR 90 HN THR 90 110.027 -15.010 -4.550 726 HA THR 90 HA THR 90 108.992 -16.410 -2.393 727 HB THR 90 HB THR 90 106.727 -15.859 -3.301 728 HG1 THR 90 HG1 THR 90 108.142 -15.573 -5.638 729 1HG2 THR 90 HG21 THR 90 108.730 -13.601 -3.450 730 2HG2 THR 90 HG22 THR 90 107.966 -14.202 -1.987 731 3HG2 THR 90 HG23 THR 90 106.989 -13.421 -3.232 732 H ASN 91 HN ASN 91 109.621 -17.584 -5.600 733 HA ASN 91 HA ASN 91 108.002 -19.970 -5.040 734 1HB ASN 91 HB2 ASN 91 109.465 -19.231 -7.585 735 2HB ASN 91 HB1 ASN 91 108.546 -20.713 -7.357 736 1HD2 ASN 91 HD21 ASN 91 108.447 -17.382 -8.018 737 2HD2 ASN 91 HD22 ASN 91 106.756 -17.215 -8.231 738 H SER 92 HN SER 92 111.255 -18.942 -4.939 739 HA SER 92 HA SER 92 112.163 -21.731 -4.987 740 1HB SER 92 HB2 SER 92 113.802 -19.209 -5.252 741 2HB SER 92 HB1 SER 92 114.335 -20.866 -5.557 742 HG SER 92 HG SER 92 112.719 -19.182 -7.056 743 H ILE 93 HN ILE 93 111.094 -19.730 -2.769 744 HA ILE 93 HA ILE 93 113.262 -19.872 -0.857 745 HB ILE 93 HB ILE 93 111.646 -17.899 -1.073 746 1HG1 ILE 93 HG12 ILE 93 111.504 -17.553 1.415 747 2HG1 ILE 93 HG11 ILE 93 112.098 -19.201 1.610 748 1HG2 ILE 93 HG21 ILE 93 109.603 -19.230 -1.218 749 2HG2 ILE 93 HG22 ILE 93 109.505 -17.999 0.053 750 3HG2 ILE 93 HG23 ILE 93 109.794 -19.698 0.466 751 1HD1 ILE 93 HD11 ILE 93 113.929 -17.650 1.841 752 2HD1 ILE 93 HD12 ILE 93 113.532 -16.904 0.304 753 3HD1 ILE 93 HD13 ILE 93 114.134 -18.565 0.346 754 H THR 94 HN THR 94 110.432 -21.615 -1.671 755 HA THR 94 HA THR 94 109.913 -23.091 0.623 756 HB THR 94 HB THR 94 108.392 -23.175 -1.267 757 HG1 THR 94 HG1 THR 94 107.972 -24.992 -0.305 758 1HG2 THR 94 HG21 THR 94 108.927 -24.367 -3.355 759 2HG2 THR 94 HG22 THR 94 110.575 -24.621 -2.775 760 3HG2 THR 94 HG23 THR 94 109.995 -22.984 -3.091 761 H GLN 95 HN GLN 95 112.507 -23.416 -1.660 762 HA GLN 95 HA GLN 95 113.831 -25.313 0.034 763 1HB GLN 95 HB2 GLN 95 114.517 -26.689 -1.978 764 2HB GLN 95 HB1 GLN 95 112.824 -26.844 -1.536 765 1HG GLN 95 HG2 GLN 95 112.201 -25.331 -3.343 766 2HG GLN 95 HG1 GLN 95 113.897 -25.112 -3.758 767 1HE2 GLN 95 HE21 GLN 95 111.705 -26.110 -5.353 768 2HE2 GLN 95 HE22 GLN 95 112.159 -27.694 -5.862 769 HA PRO 96 HA PRO 96 116.197 -21.726 -1.575 770 1HB PRO 96 HB2 PRO 96 117.145 -20.845 0.738 771 2HB PRO 96 HB1 PRO 96 115.480 -20.514 0.237 772 1HG PRO 96 HG2 PRO 96 116.506 -22.568 2.150 773 2HG PRO 96 HG1 PRO 96 115.084 -21.518 2.289 774 1HD PRO 96 HD2 PRO 96 114.953 -24.142 1.476 775 2HD PRO 96 HD1 PRO 96 113.793 -22.891 1.001 776 H THR 97 HN THR 97 118.087 -21.450 -2.098 777 HA THR 97 HA THR 97 120.136 -23.256 -1.057 778 HB THR 97 HB THR 97 120.320 -21.951 -3.771 779 HG1 THR 97 HG1 THR 97 118.808 -24.289 -3.070 780 1HG2 THR 97 HG21 THR 97 122.169 -23.268 -2.840 781 2HG2 THR 97 HG22 THR 97 121.465 -24.051 -4.271 782 3HG2 THR 97 HG23 THR 97 121.059 -24.629 -2.645 783 H LEU 98 HN LEU 98 122.377 -21.860 -2.000 784 HA LEU 98 HA LEU 98 122.578 -19.816 -0.073 785 1HB LEU 98 HB2 LEU 98 124.434 -20.461 -2.370 786 2HB LEU 98 HB1 LEU 98 124.803 -19.351 -1.076 787 HG LEU 98 HG LEU 98 125.993 -21.330 -0.649 788 1HD1 LEU 98 HD11 LEU 98 125.130 -22.120 1.481 789 2HD1 LEU 98 HD12 LEU 98 123.606 -21.310 1.146 790 3HD1 LEU 98 HD13 LEU 98 125.086 -20.362 1.327 791 1HD2 LEU 98 HD21 LEU 98 124.982 -23.562 -0.457 792 2HD2 LEU 98 HD22 LEU 98 124.795 -22.892 -2.078 793 3HD2 LEU 98 HD23 LEU 98 123.429 -22.892 -0.959 794 H HIS 99 HN HIS 99 122.289 -19.703 -3.579 795 HA HIS 99 HA HIS 99 122.363 -16.798 -3.487 796 1HB HIS 99 HB2 HIS 99 122.356 -18.723 -5.809 797 2HB HIS 99 HB1 HIS 99 122.214 -16.980 -6.032 798 HD1 HIS 99 HD1 HIS 99 124.366 -15.585 -5.845 799 HD2 HIS 99 HD2 HIS 99 124.886 -19.574 -4.780 800 HE1 HIS 99 HE1 HIS 99 126.767 -15.811 -5.230 801 HE2 HIS 99 HE2 HIS 99 127.124 -18.277 -5.007 802 H SER 100 HN SER 100 120.108 -17.983 -2.247 803 HA SER 100 HA SER 100 117.775 -17.855 -3.796 804 1HB SER 100 HB2 SER 100 116.800 -17.515 -1.330 805 2HB SER 100 HB1 SER 100 117.587 -19.029 -1.762 806 HG SER 100 HG SER 100 119.070 -18.612 -0.418 807 H PHE 101 HN PHE 101 119.636 -15.398 -2.126 808 HA PHE 101 HA PHE 101 117.649 -13.324 -2.880 809 1HB PHE 101 HB2 PHE 101 119.858 -13.066 -0.829 810 2HB PHE 101 HB1 PHE 101 118.511 -11.971 -1.090 811 HD1 PHE 101 HD1 PHE 101 119.756 -14.719 0.757 812 HD2 PHE 101 HD2 PHE 101 116.142 -12.903 -0.576 813 HE1 PHE 101 HE1 PHE 101 118.512 -15.895 2.518 814 HE2 PHE 101 HE2 PHE 101 114.909 -14.079 1.200 815 HZ PHE 101 HZ PHE 101 116.092 -15.573 2.730 816 H ASP 102 HN ASP 102 119.847 -14.550 -4.490 817 HA ASP 102 HA ASP 102 122.142 -12.923 -4.632 818 1HB ASP 102 HB2 ASP 102 121.966 -15.162 -5.647 819 2HB ASP 102 HB1 ASP 102 120.894 -14.497 -6.877 820 H ALA 103 HN ALA 103 119.212 -12.853 -6.566 821 HA ALA 103 HA ALA 103 120.075 -10.632 -8.162 822 1HB ALA 103 HB1 ALA 103 117.836 -10.681 -9.111 823 2HB ALA 103 HB2 ALA 103 117.297 -11.769 -7.837 824 3HB ALA 103 HB3 ALA 103 118.490 -12.316 -9.019 825 H ALA 104 HN ALA 104 118.137 -11.093 -5.328 826 HA ALA 104 HA ALA 104 117.109 -8.468 -5.230 827 1HB ALA 104 HB1 ALA 104 117.351 -10.541 -3.048 828 2HB ALA 104 HB2 ALA 104 115.997 -10.241 -4.182 829 3HB ALA 104 HB3 ALA 104 116.403 -9.035 -2.969 830 H GLN 105 HN GLN 105 120.023 -9.926 -3.995 831 HA GLN 105 HA GLN 105 121.022 -7.840 -2.428 832 1HB GLN 105 HB2 GLN 105 122.046 -10.080 -2.569 833 2HB GLN 105 HB1 GLN 105 122.442 -9.816 -4.248 834 1HG GLN 105 HG2 GLN 105 123.635 -8.063 -2.125 835 2HG GLN 105 HG1 GLN 105 124.267 -9.677 -2.398 836 1HE2 GLN 105 HE21 GLN 105 124.052 -6.436 -3.627 837 2HE2 GLN 105 HE22 GLN 105 125.195 -6.647 -4.909 838 H SER 106 HN SER 106 121.127 -8.439 -5.868 839 HA SER 106 HA SER 106 122.649 -6.164 -6.558 840 1HB SER 106 HB2 SER 106 122.407 -8.251 -7.945 841 2HB SER 106 HB1 SER 106 120.750 -7.767 -8.297 842 HG SER 106 HG SER 106 123.087 -6.321 -8.826 843 H ARG 107 HN ARG 107 119.222 -6.819 -6.219 844 HA ARG 107 HA ARG 107 118.231 -4.452 -7.416 845 1HB ARG 107 HB2 ARG 107 116.986 -6.294 -5.416 846 2HB ARG 107 HB1 ARG 107 116.157 -4.907 -6.104 847 1HG ARG 107 HG2 ARG 107 117.226 -7.281 -7.599 848 2HG ARG 107 HG1 ARG 107 115.530 -6.889 -7.272 849 1HD ARG 107 HD2 ARG 107 115.760 -4.825 -8.570 850 2HD ARG 107 HD1 ARG 107 117.443 -5.221 -8.905 851 HE ARG 107 HE ARG 107 115.608 -7.259 -9.667 852 1HH1 ARG 107 HH11 ARG 107 117.121 -4.209 -10.735 853 2HH1 ARG 107 HH12 ARG 107 116.925 -4.533 -12.394 854 1HH2 ARG 107 HH21 ARG 107 115.303 -7.649 -11.983 855 2HH2 ARG 107 HH22 ARG 107 115.847 -6.506 -13.116 856 H VAL 108 HN VAL 108 118.859 -5.164 -4.026 857 HA VAL 108 HA VAL 108 118.032 -2.564 -3.309 858 HB VAL 108 HB VAL 108 119.510 -4.682 -1.742 859 1HG1 VAL 108 HG11 VAL 108 119.156 -3.278 0.229 860 2HG1 VAL 108 HG12 VAL 108 118.530 -1.985 -0.803 861 3HG1 VAL 108 HG13 VAL 108 120.235 -2.451 -0.902 862 1HG2 VAL 108 HG21 VAL 108 117.201 -5.026 -2.305 863 2HG2 VAL 108 HG22 VAL 108 116.778 -3.461 -1.635 864 3HG2 VAL 108 HG23 VAL 108 117.376 -4.739 -0.574 865 H TYR 109 HN TYR 109 121.124 -3.948 -4.028 866 HA TYR 109 HA TYR 109 122.788 -1.826 -3.432 867 1HB TYR 109 HB2 TYR 109 123.989 -3.637 -4.069 868 2HB TYR 109 HB1 TYR 109 122.813 -4.151 -5.252 869 HD1 TYR 109 HD1 TYR 109 122.954 -3.271 -7.552 870 HD2 TYR 109 HD2 TYR 109 125.883 -2.283 -4.649 871 HE1 TYR 109 HE1 TYR 109 124.451 -2.564 -9.337 872 HE2 TYR 109 HE2 TYR 109 127.402 -1.559 -6.408 873 HH TYR 109 HH TYR 109 126.262 -1.149 -9.654 874 H GLN 110 HN GLN 110 120.878 -2.320 -6.387 875 HA GLN 110 HA GLN 110 121.782 0.146 -7.497 876 1HB GLN 110 HB2 GLN 110 120.046 -0.287 -9.266 877 2HB GLN 110 HB1 GLN 110 121.263 -1.539 -9.069 878 1HG GLN 110 HG2 GLN 110 119.700 -2.850 -7.772 879 2HG GLN 110 HG1 GLN 110 118.448 -1.644 -7.978 880 1HE2 GLN 110 HE21 GLN 110 120.297 -4.131 -9.400 881 2HE2 GLN 110 HE22 GLN 110 119.433 -4.271 -10.888 882 H LEU 111 HN LEU 111 119.270 -0.674 -5.326 883 HA LEU 111 HA LEU 111 117.511 1.490 -5.785 884 1HB LEU 111 HB2 LEU 111 118.089 -0.053 -3.257 885 2HB LEU 111 HB1 LEU 111 116.831 1.155 -3.392 886 HG LEU 111 HG LEU 111 116.930 -1.384 -5.013 887 1HD1 LEU 111 HD11 LEU 111 116.653 -1.824 -2.619 888 2HD1 LEU 111 HD12 LEU 111 115.176 -2.173 -3.518 889 3HD1 LEU 111 HD13 LEU 111 115.298 -0.697 -2.571 890 1HD2 LEU 111 HD21 LEU 111 114.602 -0.824 -5.528 891 2HD2 LEU 111 HD22 LEU 111 115.702 0.437 -6.089 892 3HD2 LEU 111 HD23 LEU 111 114.761 0.677 -4.615 893 H MET 112 HN MET 112 120.040 1.105 -3.237 894 HA MET 112 HA MET 112 119.849 3.935 -2.912 895 1HB MET 112 HB2 MET 112 121.665 3.839 -1.206 896 2HB MET 112 HB1 MET 112 120.259 2.867 -0.816 897 1HG MET 112 HG2 MET 112 122.707 1.682 -2.055 898 2HG MET 112 HG1 MET 112 122.620 2.004 -0.326 899 1HE MET 112 HE1 MET 112 123.019 -0.520 0.299 900 2HE MET 112 HE2 MET 112 123.217 -0.860 -1.423 901 3HE MET 112 HE3 MET 112 122.105 -1.832 -0.450 902 H GLU 113 HN GLU 113 121.510 2.110 -5.080 903 HA GLU 113 HA GLU 113 123.765 3.742 -5.474 904 1HB GLU 113 HB2 GLU 113 123.461 1.626 -6.711 905 2HB GLU 113 HB1 GLU 113 122.088 2.322 -7.565 906 1HG GLU 113 HG2 GLU 113 123.598 4.012 -8.543 907 2HG GLU 113 HG1 GLU 113 124.955 3.221 -7.749 908 H GLN 114 HN GLN 114 120.704 3.830 -7.268 909 HA GLN 114 HA GLN 114 121.293 6.349 -8.455 910 1HB GLN 114 HB2 GLN 114 119.027 6.216 -9.369 911 2HB GLN 114 HB1 GLN 114 119.895 4.699 -9.561 912 1HG GLN 114 HG2 GLN 114 118.716 3.868 -7.523 913 2HG GLN 114 HG1 GLN 114 117.731 5.328 -7.571 914 1HE2 GLN 114 HE21 GLN 114 118.869 3.502 -10.359 915 2HE2 GLN 114 HE22 GLN 114 117.314 2.986 -10.885 916 H ASP 115 HN ASP 115 120.007 5.532 -5.467 917 HA ASP 115 HA ASP 115 118.674 8.113 -5.145 918 1HB ASP 115 HB2 ASP 115 117.374 6.224 -4.434 919 2HB ASP 115 HB1 ASP 115 118.676 5.672 -3.384 920 H SER 116 HN SER 116 120.941 6.132 -3.193 921 HA SER 116 HA SER 116 121.480 8.505 -1.627 922 1HB SER 116 HB2 SER 116 122.330 5.676 -1.117 923 2HB SER 116 HB1 SER 116 122.252 7.009 0.041 924 HG SER 116 HG SER 116 119.821 6.777 -1.026 925 H TYR 117 HN TYR 117 123.126 6.400 -3.941 926 HA TYR 117 HA TYR 117 125.754 6.853 -3.091 927 1HB TYR 117 HB2 TYR 117 125.466 5.024 -4.430 928 2HB TYR 117 HB1 TYR 117 124.464 5.913 -5.597 929 HD1 TYR 117 HD1 TYR 117 128.026 5.876 -4.355 930 HD2 TYR 117 HD2 TYR 117 125.347 6.243 -7.637 931 HE1 TYR 117 HE1 TYR 117 129.933 5.960 -5.912 932 HE2 TYR 117 HE2 TYR 117 127.231 6.337 -9.186 933 HH TYR 117 HH TYR 117 129.522 6.866 -9.191 934 H THR 118 HN THR 118 123.781 8.575 -5.421 935 HA THR 118 HA THR 118 125.776 10.354 -6.292 936 HB THR 118 HB THR 118 123.725 11.744 -6.947 937 HG1 THR 118 HG1 THR 118 121.877 11.121 -6.130 938 1HG2 THR 118 HG21 THR 118 124.803 10.101 -8.464 939 2HG2 THR 118 HG22 THR 118 123.052 10.149 -8.678 940 3HG2 THR 118 HG23 THR 118 123.788 8.830 -7.773 941 H ARG 119 HN ARG 119 123.310 10.561 -3.796 942 HA ARG 119 HA ARG 119 123.990 13.119 -2.830 943 1HB ARG 119 HB2 ARG 119 122.600 10.820 -1.431 944 2HB ARG 119 HB1 ARG 119 122.764 12.427 -0.741 945 1HG ARG 119 HG2 ARG 119 121.515 13.337 -2.684 946 2HG ARG 119 HG1 ARG 119 121.265 11.683 -3.244 947 1HD ARG 119 HD2 ARG 119 120.400 12.684 -0.533 948 2HD ARG 119 HD1 ARG 119 119.354 12.695 -1.949 949 HE ARG 119 HE ARG 119 119.477 10.317 -1.980 950 1HH1 ARG 119 HH11 ARG 119 120.686 11.817 1.052 951 2HH1 ARG 119 HH12 ARG 119 120.297 10.437 1.995 952 1HH2 ARG 119 HH21 ARG 119 118.855 8.468 -0.506 953 2HH2 ARG 119 HH22 ARG 119 119.262 8.598 1.151 954 H PHE 120 HN PHE 120 125.130 9.918 -2.002 955 HA PHE 120 HA PHE 120 126.818 10.574 0.115 956 1HB PHE 120 HB2 PHE 120 126.416 8.263 -0.267 957 2HB PHE 120 HB1 PHE 120 126.910 8.371 -1.948 958 HD1 PHE 120 HD1 PHE 120 128.195 8.467 1.544 959 HD2 PHE 120 HD2 PHE 120 129.121 7.983 -2.580 960 HE1 PHE 120 HE1 PHE 120 130.497 7.714 2.125 961 HE2 PHE 120 HE2 PHE 120 131.383 7.249 -1.996 962 HZ PHE 120 HZ PHE 120 132.062 7.118 0.359 963 H LEU 121 HN LEU 121 127.428 10.507 -3.377 964 HA LEU 121 HA LEU 121 130.133 11.174 -3.229 965 1HB LEU 121 HB2 LEU 121 128.181 11.772 -5.444 966 2HB LEU 121 HB1 LEU 121 129.919 11.915 -5.582 967 HG LEU 121 HG LEU 121 128.345 9.381 -5.162 968 1HD1 LEU 121 HD11 LEU 121 130.012 10.341 -7.474 969 2HD1 LEU 121 HD12 LEU 121 128.253 10.226 -7.427 970 3HD1 LEU 121 HD13 LEU 121 129.234 8.764 -7.344 971 1HD2 LEU 121 HD21 LEU 121 131.329 9.783 -5.323 972 2HD2 LEU 121 HD22 LEU 121 130.511 8.219 -5.314 973 3HD2 LEU 121 HD23 LEU 121 130.426 9.275 -3.903 974 H LYS 122 HN LYS 122 127.330 13.207 -3.051 975 HA LYS 122 HA LYS 122 129.169 15.450 -2.862 976 1HB LYS 122 HB2 LYS 122 126.297 15.384 -3.675 977 2HB LYS 122 HB1 LYS 122 127.067 16.884 -3.160 978 1HG LYS 122 HG2 LYS 122 128.072 15.109 -5.373 979 2HG LYS 122 HG1 LYS 122 127.120 16.582 -5.600 980 1HD LYS 122 HD2 LYS 122 128.846 17.931 -4.618 981 2HD LYS 122 HD1 LYS 122 129.756 16.502 -4.133 982 1HE LYS 122 HE2 LYS 122 130.249 15.956 -6.362 983 2HE LYS 122 HE1 LYS 122 129.150 17.193 -7.002 984 1HZ LYS 122 HZ1 LYS 122 131.388 17.968 -7.159 985 2HZ LYS 122 HZ2 LYS 122 131.741 17.626 -5.568 986 3HZ LYS 122 HZ3 LYS 122 130.629 18.859 -5.949 987 H SER 123 HN SER 123 128.070 13.452 -0.678 988 HA SER 123 HA SER 123 127.129 15.355 1.240 989 1HB SER 123 HB2 SER 123 127.376 13.506 2.832 990 2HB SER 123 HB1 SER 123 126.584 12.918 1.369 991 HG SER 123 HG SER 123 128.552 12.018 0.705 992 H ASP 124 HN ASP 124 128.423 15.893 3.183 993 HA ASP 124 HA ASP 124 131.038 16.770 2.515 994 1HB ASP 124 HB2 ASP 124 129.657 16.572 5.203 995 2HB ASP 124 HB1 ASP 124 131.290 17.193 5.023 996 H ILE 125 HN ILE 125 129.776 13.902 3.687 997 HA ILE 125 HA ILE 125 131.932 12.616 4.884 998 HB ILE 125 HB ILE 125 129.527 11.683 3.357 999 1HG1 ILE 125 HG12 ILE 125 128.990 10.500 5.541 1000 2HG1 ILE 125 HG11 ILE 125 130.353 11.362 6.237 1001 1HG2 ILE 125 HG21 ILE 125 131.007 10.147 2.632 1002 2HG2 ILE 125 HG22 ILE 125 129.978 9.337 3.819 1003 3HG2 ILE 125 HG23 ILE 125 131.652 9.784 4.241 1004 1HD1 ILE 125 HD11 ILE 125 127.900 12.605 5.024 1005 2HD1 ILE 125 HD12 ILE 125 129.261 13.478 5.732 1006 3HD1 ILE 125 HD13 ILE 125 128.250 12.448 6.746 1007 H TYR 126 HN TYR 126 130.852 12.254 1.480 1008 HA TYR 126 HA TYR 126 133.305 10.967 0.791 1009 1HB TYR 126 HB2 TYR 126 131.240 10.395 -0.395 1010 2HB TYR 126 HB1 TYR 126 131.158 12.022 -1.055 1011 HD1 TYR 126 HD1 TYR 126 132.050 12.411 -3.165 1012 HD2 TYR 126 HD2 TYR 126 133.420 9.060 -0.950 1013 HE1 TYR 126 HE1 TYR 126 133.392 11.707 -5.083 1014 HE2 TYR 126 HE2 TYR 126 134.755 8.327 -2.863 1015 HH TYR 126 HH TYR 126 135.055 8.637 -5.066 1016 H LEU 127 HN LEU 127 132.132 14.240 0.547 1017 HA LEU 127 HA LEU 127 134.245 15.133 -1.107 1018 1HB LEU 127 HB2 LEU 127 132.504 16.697 0.807 1019 2HB LEU 127 HB1 LEU 127 133.602 17.418 -0.363 1020 HG LEU 127 HG LEU 127 131.117 15.803 -0.903 1021 1HD1 LEU 127 HD11 LEU 127 130.279 17.874 -1.883 1022 2HD1 LEU 127 HD12 LEU 127 131.761 18.698 -1.398 1023 3HD1 LEU 127 HD13 LEU 127 130.666 18.057 -0.173 1024 1HD2 LEU 127 HD21 LEU 127 131.503 16.275 -3.276 1025 2HD2 LEU 127 HD22 LEU 127 132.798 15.293 -2.589 1026 3HD2 LEU 127 HD23 LEU 127 133.053 17.015 -2.876 1027 H ASP 128 HN ASP 128 134.078 14.361 2.201 1028 HA ASP 128 HA ASP 128 136.485 15.736 2.995 1029 1HB ASP 128 HB2 ASP 128 134.789 15.221 4.674 1030 2HB ASP 128 HB1 ASP 128 134.926 13.506 4.326 1031 H LEU 129 HN LEU 129 135.586 12.530 1.878 1032 HA LEU 129 HA LEU 129 138.164 11.338 2.182 1033 1HB LEU 129 HB2 LEU 129 136.268 10.467 -0.049 1034 2HB LEU 129 HB1 LEU 129 137.432 9.592 0.845 1035 HG LEU 129 HG LEU 129 135.002 10.601 2.272 1036 1HD1 LEU 129 HD11 LEU 129 134.262 9.218 0.419 1037 2HD1 LEU 129 HD12 LEU 129 134.053 8.383 1.958 1038 3HD1 LEU 129 HD13 LEU 129 135.395 7.957 0.896 1039 1HD2 LEU 129 HD21 LEU 129 136.996 8.406 2.815 1040 2HD2 LEU 129 HD22 LEU 129 135.560 8.736 3.770 1041 3HD2 LEU 129 HD23 LEU 129 136.856 9.938 3.688 1042 H MET 130 HN MET 130 136.602 13.279 -0.211 1043 HA MET 130 HA MET 130 138.625 13.128 -2.206 1044 1HB MET 130 HB2 MET 130 136.513 15.247 -1.749 1045 2HB MET 130 HB1 MET 130 137.566 15.194 -3.141 1046 1HG MET 130 HG2 MET 130 135.494 13.116 -2.418 1047 2HG MET 130 HG1 MET 130 135.301 14.390 -3.613 1048 1HE MET 130 HE1 MET 130 138.182 11.789 -2.740 1049 2HE MET 130 HE2 MET 130 137.975 10.637 -4.050 1050 3HE MET 130 HE3 MET 130 136.704 10.827 -2.835 1051 H GLU 131 HN GLU 131 137.671 15.951 -0.274 1052 HA GLU 131 HA GLU 131 138.765 17.755 0.456 1053 1HB GLU 131 HB2 GLU 131 139.544 15.904 2.027 1054 2HB GLU 131 HB1 GLU 131 141.017 15.815 1.077 1055 1HG GLU 131 HG2 GLU 131 141.360 17.120 3.090 1056 2HG GLU 131 HG1 GLU 131 141.532 18.134 1.657 1057 H GLY 132 HN GLY 132 138.940 17.409 -2.260 1058 1HA GLY 132 HA2 GLY 132 141.697 18.233 -2.925 1059 2HA GLY 132 HA1 GLY 132 140.607 17.428 -4.047 1060 H ARG 133 HN ARG 133 138.283 18.922 -3.557 1061 HA ARG 133 HA ARG 133 138.974 21.674 -4.070 1062 1HB ARG 133 HB2 ARG 133 137.717 21.748 -6.239 1063 2HB ARG 133 HB1 ARG 133 139.199 20.807 -6.319 1064 1HG ARG 133 HG2 ARG 133 137.935 18.743 -6.216 1065 2HG ARG 133 HG1 ARG 133 136.439 19.642 -5.990 1066 1HD ARG 133 HD2 ARG 133 136.838 20.702 -8.212 1067 2HD ARG 133 HD1 ARG 133 138.208 19.607 -8.423 1068 HE ARG 133 HE ARG 133 136.079 18.015 -7.771 1069 1HH1 ARG 133 HH11 ARG 133 136.963 20.148 -10.458 1070 2HH1 ARG 133 HH12 ARG 133 135.852 19.432 -11.557 1071 1HH2 ARG 133 HH21 ARG 133 134.582 17.037 -9.302 1072 2HH2 ARG 133 HH22 ARG 133 134.433 17.660 -10.872 1073 HA PRO 134 HA PRO 134 135.020 21.408 -1.876 1074 1HB PRO 134 HB2 PRO 134 135.447 23.476 -0.206 1075 2HB PRO 134 HB1 PRO 134 136.142 21.877 0.087 1076 1HG PRO 134 HG2 PRO 134 137.433 24.346 -0.943 1077 2HG PRO 134 HG1 PRO 134 138.111 23.057 0.063 1078 1HD PRO 134 HD2 PRO 134 138.477 23.355 -2.693 1079 2HD PRO 134 HD1 PRO 134 138.811 21.889 -1.751 Start of MODEL 16 1 1H SER 1 HT1 SER 1 146.869 3.559 4.328 2 2H SER 1 HT2 SER 1 145.647 2.705 3.574 3 3H SER 1 HT3 SER 1 146.620 1.931 4.739 4 HA SER 1 HA SER 1 144.456 2.561 5.649 5 1HB SER 1 HB2 SER 1 146.515 2.683 7.099 6 2HB SER 1 HB1 SER 1 146.712 4.365 6.630 7 HG SER 1 HG SER 1 145.597 4.677 8.362 8 H MET 2 HN MET 2 142.995 4.305 6.103 9 HA MET 2 HA MET 2 141.656 6.029 5.588 10 1HB MET 2 HB2 MET 2 142.511 8.269 5.349 11 2HB MET 2 HB1 MET 2 143.624 7.444 6.416 12 1HG MET 2 HG2 MET 2 145.231 7.219 4.595 13 2HG MET 2 HG1 MET 2 144.089 7.947 3.474 14 1HE MET 2 HE1 MET 2 143.912 11.640 4.822 15 2HE MET 2 HE2 MET 2 142.854 10.296 5.256 16 3HE MET 2 HE3 MET 2 143.355 10.519 3.581 17 H VAL 3 HN VAL 3 141.299 7.826 3.627 18 HA VAL 3 HA VAL 3 141.994 6.456 1.180 19 HB VAL 3 HB VAL 3 139.703 5.723 1.464 20 1HG1 VAL 3 HG11 VAL 3 137.860 7.107 1.866 21 2HG1 VAL 3 HG12 VAL 3 138.820 8.559 1.677 22 3HG1 VAL 3 HG13 VAL 3 139.066 7.508 3.108 23 1HG2 VAL 3 HG21 VAL 3 139.570 8.059 -0.446 24 2HG2 VAL 3 HG22 VAL 3 138.612 6.584 -0.472 25 3HG2 VAL 3 HG23 VAL 3 140.342 6.512 -0.796 26 H SER 4 HN SER 4 143.209 7.694 0.116 27 HA SER 4 HA SER 4 143.268 10.534 0.371 28 1HB SER 4 HB2 SER 4 144.435 8.736 -1.771 29 2HB SER 4 HB1 SER 4 144.927 10.390 -1.399 30 HG SER 4 HG SER 4 145.537 9.654 0.673 31 HA PRO 5 HA PRO 5 140.162 12.040 -2.356 32 1HB PRO 5 HB2 PRO 5 141.760 13.639 -4.015 33 2HB PRO 5 HB1 PRO 5 140.990 14.148 -2.509 34 1HG PRO 5 HG2 PRO 5 143.781 13.200 -2.984 35 2HG PRO 5 HG1 PRO 5 143.199 14.487 -1.911 36 1HD PRO 5 HD2 PRO 5 143.915 12.154 -0.912 37 2HD PRO 5 HD1 PRO 5 142.453 12.967 -0.306 38 H GLU 6 HN GLU 6 143.088 10.788 -3.734 39 HA GLU 6 HA GLU 6 142.246 10.465 -6.415 40 1HB GLU 6 HB2 GLU 6 144.290 8.974 -4.783 41 2HB GLU 6 HB1 GLU 6 144.046 8.709 -6.503 42 1HG GLU 6 HG2 GLU 6 144.817 11.318 -5.234 43 2HG GLU 6 HG1 GLU 6 145.913 10.208 -6.061 44 H GLU 7 HN GLU 7 142.332 8.128 -3.755 45 HA GLU 7 HA GLU 7 141.009 6.067 -5.140 46 1HB GLU 7 HB2 GLU 7 142.442 5.751 -3.139 47 2HB GLU 7 HB1 GLU 7 141.256 6.598 -2.169 48 1HG GLU 7 HG2 GLU 7 141.125 4.206 -1.823 49 2HG GLU 7 HG1 GLU 7 139.649 4.812 -2.560 50 H ALA 8 HN ALA 8 139.954 8.662 -2.993 51 HA ALA 8 HA ALA 8 137.279 7.848 -2.859 52 1HB ALA 8 HB1 ALA 8 138.189 9.393 -1.209 53 2HB ALA 8 HB2 ALA 8 136.747 10.099 -1.983 54 3HB ALA 8 HB3 ALA 8 138.358 10.649 -2.444 55 H VAL 9 HN VAL 9 138.606 10.486 -5.039 56 HA VAL 9 HA VAL 9 136.287 10.776 -6.514 57 HB VAL 9 HB VAL 9 137.544 11.589 -8.411 58 1HG1 VAL 9 HG11 VAL 9 137.346 13.132 -6.604 59 2HG1 VAL 9 HG12 VAL 9 138.902 13.355 -7.406 60 3HG1 VAL 9 HG13 VAL 9 138.818 12.508 -5.860 61 1HG2 VAL 9 HG21 VAL 9 139.292 9.925 -8.590 62 2HG2 VAL 9 HG22 VAL 9 140.035 10.504 -7.100 63 3HG2 VAL 9 HG23 VAL 9 140.008 11.538 -8.530 64 H LYS 10 HN LYS 10 138.504 8.118 -6.632 65 HA LYS 10 HA LYS 10 137.607 7.118 -9.133 66 1HB LYS 10 HB2 LYS 10 139.775 6.636 -7.599 67 2HB LYS 10 HB1 LYS 10 138.793 5.239 -7.181 68 1HG LYS 10 HG2 LYS 10 140.302 4.723 -9.015 69 2HG LYS 10 HG1 LYS 10 138.619 4.655 -9.553 70 1HD LYS 10 HD2 LYS 10 140.005 5.826 -11.212 71 2HD LYS 10 HD1 LYS 10 138.829 6.921 -10.475 72 1HE LYS 10 HE2 LYS 10 140.582 7.744 -8.951 73 2HE LYS 10 HE1 LYS 10 141.753 6.709 -9.770 74 1HZ LYS 10 HZ1 LYS 10 140.171 8.832 -11.101 75 2HZ LYS 10 HZ2 LYS 10 141.410 7.951 -11.806 76 3HZ LYS 10 HZ3 LYS 10 141.747 9.045 -10.548 77 H TRP 11 HN TRP 11 136.515 6.771 -5.827 78 HA TRP 11 HA TRP 11 134.801 4.520 -6.260 79 1HB TRP 11 HB2 TRP 11 134.533 6.730 -4.204 80 2HB TRP 11 HB1 TRP 11 133.633 5.230 -4.201 81 HD1 TRP 11 HD1 TRP 11 136.829 3.959 -5.009 82 HE1 TRP 11 HE1 TRP 11 138.208 3.343 -2.991 83 HE3 TRP 11 HE3 TRP 11 134.129 6.486 -1.482 84 HZ2 TRP 11 HZ2 TRP 11 138.137 3.837 -0.145 85 HZ3 TRP 11 HZ3 TRP 11 134.818 6.334 0.893 86 HH2 TRP 11 HH2 TRP 11 136.800 5.047 1.525 87 H GLY 12 HN GLY 12 134.611 7.900 -6.775 88 1HA GLY 12 HA2 GLY 12 131.820 8.292 -6.814 89 2HA GLY 12 HA1 GLY 12 133.011 9.343 -7.554 90 H GLU 13 HN GLU 13 133.841 6.828 -9.100 91 HA GLU 13 HA GLU 13 131.740 7.091 -11.128 92 1HB GLU 13 HB2 GLU 13 133.500 6.410 -12.748 93 2HB GLU 13 HB1 GLU 13 133.811 7.948 -11.955 94 1HG GLU 13 HG2 GLU 13 135.423 6.931 -10.500 95 2HG GLU 13 HG1 GLU 13 135.028 5.332 -11.119 96 H SER 14 HN SER 14 132.583 4.999 -8.758 97 HA SER 14 HA SER 14 131.526 2.749 -10.188 98 1HB SER 14 HB2 SER 14 134.348 2.585 -9.086 99 2HB SER 14 HB1 SER 14 133.433 1.250 -9.781 100 HG SER 14 HG SER 14 133.369 3.226 -11.508 101 H PHE 15 HN PHE 15 129.898 2.681 -8.699 102 HA PHE 15 HA PHE 15 130.074 2.793 -5.922 103 1HB PHE 15 HB2 PHE 15 127.937 2.982 -7.110 104 2HB PHE 15 HB1 PHE 15 128.054 1.306 -7.625 105 HD1 PHE 15 HD1 PHE 15 128.391 3.053 -4.321 106 HD2 PHE 15 HD2 PHE 15 126.478 0.000 -6.570 107 HE1 PHE 15 HE1 PHE 15 127.117 2.366 -2.313 108 HE2 PHE 15 HE2 PHE 15 125.210 -0.669 -4.561 109 HZ PHE 15 HZ PHE 15 125.539 0.513 -2.450 110 H ASP 16 HN ASP 16 130.553 0.060 -8.083 111 HA ASP 16 HA ASP 16 130.593 -1.857 -5.976 112 1HB ASP 16 HB2 ASP 16 131.458 -3.497 -7.501 113 2HB ASP 16 HB1 ASP 16 130.309 -2.522 -8.395 114 H LYS 17 HN LYS 17 133.027 0.215 -7.339 115 HA LYS 17 HA LYS 17 135.287 -0.996 -6.105 116 1HB LYS 17 HB2 LYS 17 135.664 0.524 -7.919 117 2HB LYS 17 HB1 LYS 17 134.760 1.802 -7.119 118 1HG LYS 17 HG2 LYS 17 136.444 1.978 -5.426 119 2HG LYS 17 HG1 LYS 17 137.381 0.670 -6.159 120 1HD LYS 17 HD2 LYS 17 136.712 3.322 -7.447 121 2HD LYS 17 HD1 LYS 17 138.264 2.903 -6.727 122 1HE LYS 17 HE2 LYS 17 136.976 1.572 -9.109 123 2HE LYS 17 HE1 LYS 17 138.340 2.689 -9.150 124 1HZ LYS 17 HZ1 LYS 17 139.488 0.985 -7.663 125 2HZ LYS 17 HZ2 LYS 17 139.289 0.622 -9.288 126 3HZ LYS 17 HZ3 LYS 17 138.279 -0.106 -8.157 127 H LEU 18 HN LEU 18 133.195 1.660 -5.312 128 HA LEU 18 HA LEU 18 134.153 2.594 -2.907 129 1HB LEU 18 HB2 LEU 18 132.464 3.715 -4.092 130 2HB LEU 18 HB1 LEU 18 131.447 2.297 -4.147 131 HG LEU 18 HG LEU 18 131.053 2.557 -1.701 132 1HD1 LEU 18 HD11 LEU 18 131.575 4.692 -0.680 133 2HD1 LEU 18 HD12 LEU 18 132.441 5.184 -2.134 134 3HD1 LEU 18 HD13 LEU 18 133.046 3.848 -1.156 135 1HD2 LEU 18 HD21 LEU 18 130.368 4.867 -3.460 136 2HD2 LEU 18 HD22 LEU 18 129.526 4.406 -1.966 137 3HD2 LEU 18 HD23 LEU 18 129.513 3.329 -3.372 138 H LEU 19 HN LEU 19 131.827 0.090 -3.596 139 HA LEU 19 HA LEU 19 131.218 -0.527 -0.913 140 1HB LEU 19 HB2 LEU 19 129.935 -0.646 -3.170 141 2HB LEU 19 HB1 LEU 19 130.616 -2.250 -3.242 142 HG LEU 19 HG LEU 19 129.421 -2.900 -1.249 143 1HD1 LEU 19 HD11 LEU 19 127.923 -1.292 -0.109 144 2HD1 LEU 19 HD12 LEU 19 128.437 -0.025 -1.226 145 3HD1 LEU 19 HD13 LEU 19 129.584 -0.700 -0.081 146 1HD2 LEU 19 HD21 LEU 19 127.786 -1.360 -3.243 147 2HD2 LEU 19 HD22 LEU 19 127.131 -2.557 -2.137 148 3HD2 LEU 19 HD23 LEU 19 128.291 -3.041 -3.388 149 H SER 20 HN SER 20 133.545 -1.757 -3.234 150 HA SER 20 HA SER 20 134.007 -4.189 -1.705 151 1HB SER 20 HB2 SER 20 135.472 -3.145 -4.144 152 2HB SER 20 HB1 SER 20 135.620 -4.761 -3.451 153 HG SER 20 HG SER 20 133.319 -3.573 -4.567 154 H HIS 21 HN HIS 21 134.858 -1.069 -1.415 155 HA HIS 21 HA HIS 21 137.522 -1.606 -0.291 156 1HB HIS 21 HB2 HIS 21 136.639 0.443 -1.897 157 2HB HIS 21 HB1 HIS 21 136.337 1.118 -0.305 158 HD1 HIS 21 HD1 HIS 21 138.608 1.554 1.236 159 HD2 HIS 21 HD2 HIS 21 139.233 0.381 -2.711 160 HE1 HIS 21 HE1 HIS 21 140.851 2.304 0.694 161 HE2 HIS 21 HE2 HIS 21 141.335 1.059 -1.475 162 H ARG 22 HN ARG 22 137.569 -1.696 1.940 163 HA ARG 22 HA ARG 22 135.141 -1.879 3.426 164 1HB ARG 22 HB2 ARG 22 137.880 -1.265 4.531 165 2HB ARG 22 HB1 ARG 22 136.487 -1.775 5.464 166 1HG ARG 22 HG2 ARG 22 136.523 -3.917 4.215 167 2HG ARG 22 HG1 ARG 22 138.031 -3.384 3.457 168 1HD ARG 22 HD2 ARG 22 137.527 -3.749 6.408 169 2HD ARG 22 HD1 ARG 22 138.530 -4.769 5.378 170 HE ARG 22 HE ARG 22 139.840 -2.614 5.019 171 1HH1 ARG 22 HH11 ARG 22 138.127 -3.283 8.069 172 2HH1 ARG 22 HH12 ARG 22 139.276 -2.511 9.048 173 1HH2 ARG 22 HH21 ARG 22 141.438 -1.563 6.404 174 2HH2 ARG 22 HH22 ARG 22 141.219 -1.553 8.096 175 H ASP 23 HN ASP 23 137.486 0.675 3.141 176 HA ASP 23 HA ASP 23 136.422 2.583 4.858 177 1HB ASP 23 HB2 ASP 23 137.720 3.238 2.220 178 2HB ASP 23 HB1 ASP 23 137.783 4.155 3.722 179 H GLY 24 HN GLY 24 135.520 1.686 1.601 180 1HA GLY 24 HA2 GLY 24 133.905 4.047 1.178 181 2HA GLY 24 HA1 GLY 24 134.102 2.709 0.080 182 H LEU 25 HN LEU 25 133.471 0.591 1.534 183 HA LEU 25 HA LEU 25 130.731 0.465 1.632 184 1HB LEU 25 HB2 LEU 25 131.694 -1.614 1.594 185 2HB LEU 25 HB1 LEU 25 133.003 -1.147 2.646 186 HG LEU 25 HG LEU 25 130.290 -1.516 3.877 187 1HD1 LEU 25 HD11 LEU 25 130.593 -3.464 2.379 188 2HD1 LEU 25 HD12 LEU 25 130.738 -3.923 4.076 189 3HD1 LEU 25 HD13 LEU 25 132.185 -3.744 3.082 190 1HD2 LEU 25 HD21 LEU 25 133.121 -2.180 4.709 191 2HD2 LEU 25 HD22 LEU 25 131.696 -2.339 5.738 192 3HD2 LEU 25 HD23 LEU 25 132.255 -0.742 5.229 193 H GLU 26 HN GLU 26 133.045 1.147 4.147 194 HA GLU 26 HA GLU 26 131.265 1.516 6.271 195 1HB GLU 26 HB2 GLU 26 133.596 1.017 6.432 196 2HB GLU 26 HB1 GLU 26 134.041 2.581 5.768 197 1HG GLU 26 HG2 GLU 26 134.368 2.669 8.133 198 2HG GLU 26 HG1 GLU 26 132.949 3.643 7.755 199 H ALA 27 HN ALA 27 132.623 3.764 3.804 200 HA ALA 27 HA ALA 27 131.594 6.095 5.043 201 1HB ALA 27 HB1 ALA 27 133.370 6.384 3.321 202 2HB ALA 27 HB2 ALA 27 131.882 7.172 2.789 203 3HB ALA 27 HB3 ALA 27 132.346 5.630 2.109 204 H PHE 28 HN PHE 28 130.379 3.962 2.515 205 HA PHE 28 HA PHE 28 128.004 5.432 2.051 206 1HB PHE 28 HB2 PHE 28 129.011 3.821 0.410 207 2HB PHE 28 HB1 PHE 28 128.476 2.505 1.449 208 HD1 PHE 28 HD1 PHE 28 127.321 5.318 -0.621 209 HD2 PHE 28 HD2 PHE 28 126.244 1.710 1.330 210 HE1 PHE 28 HE1 PHE 28 125.161 5.360 -1.771 211 HE2 PHE 28 HE2 PHE 28 124.071 1.739 0.181 212 HZ PHE 28 HZ PHE 28 123.531 3.579 -1.380 213 H THR 29 HN THR 29 128.727 2.577 4.038 214 HA THR 29 HA THR 29 126.045 2.262 4.766 215 HB THR 29 HB THR 29 127.697 0.366 4.963 216 HG1 THR 29 HG1 THR 29 125.826 -0.022 6.082 217 1HG2 THR 29 HG21 THR 29 129.554 1.565 6.023 218 2HG2 THR 29 HG22 THR 29 129.061 0.176 6.995 219 3HG2 THR 29 HG23 THR 29 128.576 1.804 7.471 220 H ARG 30 HN ARG 30 128.615 4.256 6.239 221 HA ARG 30 HA ARG 30 127.041 4.732 8.558 222 1HB ARG 30 HB2 ARG 30 128.599 6.474 9.194 223 2HB ARG 30 HB1 ARG 30 129.517 5.150 8.521 224 1HG ARG 30 HG2 ARG 30 130.591 6.982 7.636 225 2HG ARG 30 HG1 ARG 30 129.461 6.598 6.339 226 1HD ARG 30 HD2 ARG 30 129.461 8.992 6.742 227 2HD ARG 30 HD1 ARG 30 127.908 8.313 7.227 228 HE ARG 30 HE ARG 30 129.928 8.594 9.287 229 1HH1 ARG 30 HH11 ARG 30 127.050 10.056 7.765 230 2HH1 ARG 30 HH12 ARG 30 126.622 10.965 9.134 231 1HH2 ARG 30 HH21 ARG 30 129.325 9.897 11.169 232 2HH2 ARG 30 HH22 ARG 30 127.962 10.916 11.091 233 H PHE 31 HN PHE 31 127.208 6.249 5.444 234 HA PHE 31 HA PHE 31 125.528 8.463 5.912 235 1HB PHE 31 HB2 PHE 31 126.859 8.321 3.891 236 2HB PHE 31 HB1 PHE 31 126.102 6.803 3.438 237 HD1 PHE 31 HD1 PHE 31 125.605 10.441 3.717 238 HD2 PHE 31 HD2 PHE 31 124.041 6.772 2.243 239 HE1 PHE 31 HE1 PHE 31 123.987 11.683 2.340 240 HE2 PHE 31 HE2 PHE 31 122.420 8.005 0.868 241 HZ PHE 31 HZ PHE 31 122.394 10.464 0.915 242 H LEU 32 HN LEU 32 124.953 5.199 4.840 243 HA LEU 32 HA LEU 32 122.174 5.406 4.475 244 1HB LEU 32 HB2 LEU 32 123.964 3.767 3.584 245 2HB LEU 32 HB1 LEU 32 123.683 2.901 5.077 246 HG LEU 32 HG LEU 32 121.340 2.555 4.433 247 1HD1 LEU 32 HD11 LEU 32 120.607 3.145 2.178 248 2HD1 LEU 32 HD12 LEU 32 122.156 3.927 1.869 249 3HD1 LEU 32 HD13 LEU 32 121.062 4.589 3.083 250 1HD2 LEU 32 HD21 LEU 32 121.785 1.012 2.575 251 2HD2 LEU 32 HD22 LEU 32 123.008 0.894 3.841 252 3HD2 LEU 32 HD23 LEU 32 123.371 1.755 2.350 253 H LYS 33 HN LYS 33 124.191 4.316 7.188 254 HA LYS 33 HA LYS 33 122.093 3.371 8.845 255 1HB LYS 33 HB2 LYS 33 124.873 4.271 9.596 256 2HB LYS 33 HB1 LYS 33 123.740 3.536 10.711 257 1HG LYS 33 HG2 LYS 33 123.754 1.500 9.313 258 2HG LYS 33 HG1 LYS 33 124.976 2.258 8.285 259 1HD LYS 33 HD2 LYS 33 126.446 2.487 10.218 260 2HD LYS 33 HD1 LYS 33 125.237 1.700 11.236 261 1HE LYS 33 HE2 LYS 33 126.744 0.493 8.916 262 2HE LYS 33 HE1 LYS 33 126.931 0.099 10.620 263 1HZ LYS 33 HZ1 LYS 33 125.571 -1.596 9.922 264 2HZ LYS 33 HZ2 LYS 33 124.838 -0.726 8.738 265 3HZ LYS 33 HZ3 LYS 33 124.357 -0.498 10.333 266 H THR 34 HN THR 34 123.649 6.530 8.537 267 HA THR 34 HA THR 34 122.545 7.513 10.937 268 HB THR 34 HB THR 34 124.607 8.455 9.753 269 HG1 THR 34 HG1 THR 34 123.853 9.592 11.414 270 1HG2 THR 34 HG21 THR 34 123.675 8.683 7.506 271 2HG2 THR 34 HG22 THR 34 124.257 10.239 8.098 272 3HG2 THR 34 HG23 THR 34 122.528 9.886 8.092 273 H GLU 35 HN GLU 35 121.202 7.142 7.767 274 HA GLU 35 HA GLU 35 118.902 8.728 8.618 275 1HB GLU 35 HB2 GLU 35 118.114 8.616 6.277 276 2HB GLU 35 HB1 GLU 35 119.698 9.353 6.417 277 1HG GLU 35 HG2 GLU 35 120.721 7.256 5.665 278 2HG GLU 35 HG1 GLU 35 119.113 6.544 5.505 279 H PHE 36 HN PHE 36 119.898 5.856 9.163 280 HA PHE 36 HA PHE 36 119.040 3.922 9.876 281 1HB PHE 36 HB2 PHE 36 116.433 5.445 9.784 282 2HB PHE 36 HB1 PHE 36 116.577 3.817 10.434 283 HD1 PHE 36 HD1 PHE 36 117.597 3.416 12.557 284 HD2 PHE 36 HD2 PHE 36 117.488 7.344 10.926 285 HE1 PHE 36 HE1 PHE 36 118.245 4.337 14.743 286 HE2 PHE 36 HE2 PHE 36 118.139 8.273 13.109 287 HZ PHE 36 HZ PHE 36 118.518 6.767 15.021 288 H SER 37 HN SER 37 119.133 4.499 6.918 289 HA SER 37 HA SER 37 117.226 2.454 6.051 290 1HB SER 37 HB2 SER 37 118.731 4.524 4.441 291 2HB SER 37 HB1 SER 37 117.523 3.400 3.809 292 HG SER 37 HG SER 37 116.646 5.471 4.301 293 H GLU 38 HN GLU 38 119.850 2.111 7.395 294 HA GLU 38 HA GLU 38 121.901 1.159 5.703 295 1HB GLU 38 HB2 GLU 38 122.813 0.128 7.698 296 2HB GLU 38 HB1 GLU 38 122.174 1.717 8.096 297 1HG GLU 38 HG2 GLU 38 120.099 0.580 8.902 298 2HG GLU 38 HG1 GLU 38 120.926 -0.953 8.677 299 H GLU 39 HN GLU 39 118.945 -0.079 6.468 300 HA GLU 39 HA GLU 39 118.973 -2.781 6.725 301 1HB GLU 39 HB2 GLU 39 117.008 -1.271 5.034 302 2HB GLU 39 HB1 GLU 39 116.729 -2.712 6.002 303 1HG GLU 39 HG2 GLU 39 117.417 0.003 7.114 304 2HG GLU 39 HG1 GLU 39 115.792 -0.659 6.996 305 H ASN 40 HN ASN 40 119.342 -0.901 3.776 306 HA ASN 40 HA ASN 40 119.026 -3.125 1.992 307 1HB ASN 40 HB2 ASN 40 119.985 -0.303 1.572 308 2HB ASN 40 HB1 ASN 40 119.996 -1.488 0.276 309 1HD2 ASN 40 HD21 ASN 40 118.490 1.002 0.510 310 2HD2 ASN 40 HD22 ASN 40 116.840 0.582 0.385 311 H ILE 41 HN ILE 41 121.836 -1.407 3.255 312 HA ILE 41 HA ILE 41 123.637 -2.922 1.625 313 HB ILE 41 HB ILE 41 123.948 -0.519 2.747 314 1HG1 ILE 41 HG12 ILE 41 126.240 -2.498 2.446 315 2HG1 ILE 41 HG11 ILE 41 125.479 -1.572 1.176 316 1HG2 ILE 41 HG21 ILE 41 125.314 -2.237 4.832 317 2HG2 ILE 41 HG22 ILE 41 123.820 -1.477 5.146 318 3HG2 ILE 41 HG23 ILE 41 125.251 -0.486 4.800 319 1HD1 ILE 41 HD11 ILE 41 126.216 0.487 2.192 320 2HD1 ILE 41 HD12 ILE 41 127.561 -0.581 1.794 321 3HD1 ILE 41 HD13 ILE 41 127.024 -0.419 3.478 322 H GLU 42 HN GLU 42 122.421 -3.032 4.847 323 HA GLU 42 HA GLU 42 123.925 -5.265 5.718 324 1HB GLU 42 HB2 GLU 42 121.693 -3.587 6.673 325 2HB GLU 42 HB1 GLU 42 121.823 -5.191 7.361 326 1HG GLU 42 HG2 GLU 42 122.873 -3.156 8.479 327 2HG GLU 42 HG1 GLU 42 123.875 -4.690 8.421 328 H PHE 43 HN PHE 43 121.172 -4.829 3.760 329 HA PHE 43 HA PHE 43 119.782 -7.250 4.087 330 1HB PHE 43 HB2 PHE 43 118.746 -5.439 2.897 331 2HB PHE 43 HB1 PHE 43 120.063 -5.372 1.741 332 HD1 PHE 43 HD1 PHE 43 117.030 -7.084 2.746 333 HD2 PHE 43 HD2 PHE 43 120.173 -6.931 -0.100 334 HE1 PHE 43 HE1 PHE 43 115.725 -8.473 1.231 335 HE2 PHE 43 HE2 PHE 43 118.877 -8.341 -1.629 336 HZ PHE 43 HZ PHE 43 116.641 -9.110 -0.966 337 H TRP 44 HN TRP 44 122.161 -6.288 1.587 338 HA TRP 44 HA TRP 44 122.304 -9.086 1.111 339 1HB TRP 44 HB2 TRP 44 124.115 -8.668 -0.622 340 2HB TRP 44 HB1 TRP 44 122.499 -8.094 -0.948 341 HD1 TRP 44 HD1 TRP 44 122.458 -5.845 -2.013 342 HE1 TRP 44 HE1 TRP 44 123.981 -3.824 -2.112 343 HE3 TRP 44 HE3 TRP 44 126.080 -7.437 1.222 344 HZ2 TRP 44 HZ2 TRP 44 126.404 -2.964 -0.899 345 HZ3 TRP 44 HZ3 TRP 44 127.968 -5.944 1.700 346 HH2 TRP 44 HH2 TRP 44 128.125 -3.755 0.656 347 H ILE 45 HN ILE 45 124.014 -7.112 3.132 348 HA ILE 45 HA ILE 45 126.180 -8.823 3.580 349 HB ILE 45 HB ILE 45 124.704 -6.849 5.306 350 1HG1 ILE 45 HG12 ILE 45 127.530 -7.042 4.268 351 2HG1 ILE 45 HG11 ILE 45 126.251 -5.994 3.681 352 1HG2 ILE 45 HG21 ILE 45 125.269 -8.668 6.856 353 2HG2 ILE 45 HG22 ILE 45 126.102 -7.169 7.203 354 3HG2 ILE 45 HG23 ILE 45 126.980 -8.501 6.420 355 1HD1 ILE 45 HD11 ILE 45 127.619 -5.836 6.351 356 2HD1 ILE 45 HD12 ILE 45 126.282 -4.818 5.841 357 3HD1 ILE 45 HD13 ILE 45 127.829 -4.732 4.989 358 H ALA 46 HN ALA 46 122.842 -8.918 4.663 359 HA ALA 46 HA ALA 46 123.033 -11.233 6.251 360 1HB ALA 46 HB1 ALA 46 120.683 -10.087 4.736 361 2HB ALA 46 HB2 ALA 46 121.066 -9.816 6.442 362 3HB ALA 46 HB3 ALA 46 120.571 -11.416 5.872 363 H CYS 47 HN CYS 47 122.536 -10.699 2.812 364 HA CYS 47 HA CYS 47 121.880 -13.351 2.069 365 1HB CYS 47 HB2 CYS 47 121.461 -11.445 0.575 366 2HB CYS 47 HB1 CYS 47 123.186 -11.156 0.432 367 HG CYS 47 HG CYS 47 123.277 -12.405 -1.794 368 H GLU 48 HN GLU 48 124.951 -11.725 2.498 369 HA GLU 48 HA GLU 48 126.432 -13.956 1.507 370 1HB GLU 48 HB2 GLU 48 127.348 -11.559 3.093 371 2HB GLU 48 HB1 GLU 48 128.413 -12.734 2.327 372 1HG GLU 48 HG2 GLU 48 126.455 -10.935 0.910 373 2HG GLU 48 HG1 GLU 48 128.204 -10.732 0.968 374 H ASP 49 HN ASP 49 125.564 -12.728 4.686 375 HA ASP 49 HA ASP 49 126.850 -14.675 6.282 376 1HB ASP 49 HB2 ASP 49 125.809 -12.721 7.311 377 2HB ASP 49 HB1 ASP 49 124.228 -13.205 6.720 378 H PHE 50 HN PHE 50 123.947 -14.655 4.492 379 HA PHE 50 HA PHE 50 122.810 -17.075 5.276 380 1HB PHE 50 HB2 PHE 50 121.537 -15.341 4.196 381 2HB PHE 50 HB1 PHE 50 122.577 -15.390 2.788 382 HD1 PHE 50 HD1 PHE 50 121.842 -16.491 0.957 383 HD2 PHE 50 HD2 PHE 50 120.356 -17.569 4.764 384 HE1 PHE 50 HE1 PHE 50 120.293 -18.062 -0.108 385 HE2 PHE 50 HE2 PHE 50 118.807 -19.158 3.716 386 HZ PHE 50 HZ PHE 50 118.770 -19.403 1.285 387 H LYS 51 HN LYS 51 124.958 -16.264 2.487 388 HA LYS 51 HA LYS 51 124.955 -18.939 1.518 389 1HB LYS 51 HB2 LYS 51 126.477 -18.319 -0.157 390 2HB LYS 51 HB1 LYS 51 125.571 -16.851 0.138 391 1HG LYS 51 HG2 LYS 51 127.429 -15.893 1.355 392 2HG LYS 51 HG1 LYS 51 128.316 -17.421 1.269 393 1HD LYS 51 HD2 LYS 51 128.146 -17.204 -1.266 394 2HD LYS 51 HD1 LYS 51 127.606 -15.551 -0.990 395 1HE LYS 51 HE2 LYS 51 130.241 -16.697 -0.047 396 2HE LYS 51 HE1 LYS 51 130.031 -15.740 -1.505 397 1HZ LYS 51 HZ1 LYS 51 130.863 -14.428 0.352 398 2HZ LYS 51 HZ2 LYS 51 129.547 -14.798 1.278 399 3HZ LYS 51 HZ3 LYS 51 129.359 -13.871 -0.139 400 H LYS 52 HN LYS 52 126.577 -17.535 4.068 401 HA LYS 52 HA LYS 52 128.890 -19.190 4.206 402 1HB LYS 52 HB2 LYS 52 127.333 -17.909 6.433 403 2HB LYS 52 HB1 LYS 52 128.945 -18.620 6.580 404 1HG LYS 52 HG2 LYS 52 129.828 -16.913 5.118 405 2HG LYS 52 HG1 LYS 52 128.210 -16.237 4.904 406 1HD LYS 52 HD2 LYS 52 129.485 -14.983 6.588 407 2HD LYS 52 HD1 LYS 52 128.066 -15.763 7.292 408 1HE LYS 52 HE2 LYS 52 129.523 -17.629 8.017 409 2HE LYS 52 HE1 LYS 52 130.913 -16.732 7.416 410 1HZ LYS 52 HZ1 LYS 52 129.083 -15.866 9.597 411 2HZ LYS 52 HZ2 LYS 52 130.436 -14.991 9.040 412 3HZ LYS 52 HZ3 LYS 52 130.640 -16.499 9.753 413 H SER 53 HN SER 53 125.571 -19.833 4.791 414 HA SER 53 HA SER 53 125.892 -21.832 6.813 415 1HB SER 53 HB2 SER 53 123.516 -21.405 5.005 416 2HB SER 53 HB1 SER 53 123.534 -22.087 6.632 417 HG SER 53 HG SER 53 123.708 -19.475 5.755 418 H LYS 54 HN LYS 54 126.625 -23.855 6.404 419 HA LYS 54 HA LYS 54 126.281 -24.859 3.690 420 1HB LYS 54 HB2 LYS 54 127.972 -26.626 4.283 421 2HB LYS 54 HB1 LYS 54 128.568 -24.983 4.290 422 1HG LYS 54 HG2 LYS 54 129.558 -26.132 6.119 423 2HG LYS 54 HG1 LYS 54 128.382 -25.007 6.784 424 1HD LYS 54 HD2 LYS 54 126.827 -26.795 7.176 425 2HD LYS 54 HD1 LYS 54 127.867 -27.940 6.326 426 1HE LYS 54 HE2 LYS 54 129.598 -27.614 8.023 427 2HE LYS 54 HE1 LYS 54 128.544 -26.482 8.874 428 1HZ LYS 54 HZ1 LYS 54 127.027 -28.204 9.368 429 2HZ LYS 54 HZ2 LYS 54 128.560 -28.826 9.738 430 3HZ LYS 54 HZ3 LYS 54 127.780 -29.287 8.315 431 H GLY 55 HN GLY 55 124.415 -24.891 6.143 432 1HA GLY 55 HA2 GLY 55 123.682 -27.730 5.963 433 2HA GLY 55 HA1 GLY 55 123.177 -26.627 7.245 434 HA PRO 56 HA PRO 56 120.677 -26.124 3.132 435 1HB PRO 56 HB2 PRO 56 119.246 -28.416 2.716 436 2HB PRO 56 HB1 PRO 56 120.803 -28.024 1.954 437 1HG PRO 56 HG2 PRO 56 120.246 -29.764 4.325 438 2HG PRO 56 HG1 PRO 56 121.352 -30.045 2.971 439 1HD PRO 56 HD2 PRO 56 122.193 -29.152 5.386 440 2HD PRO 56 HD1 PRO 56 122.990 -28.693 3.869 441 H GLN 57 HN GLN 57 119.747 -27.868 6.042 442 HA GLN 57 HA GLN 57 117.000 -27.072 5.990 443 1HB GLN 57 HB2 GLN 57 118.290 -28.963 7.414 444 2HB GLN 57 HB1 GLN 57 118.478 -27.611 8.528 445 1HG GLN 57 HG2 GLN 57 115.775 -28.399 7.543 446 2HG GLN 57 HG1 GLN 57 116.540 -29.231 8.889 447 1HE2 GLN 57 HE21 GLN 57 114.127 -27.583 8.764 448 2HE2 GLN 57 HE22 GLN 57 114.360 -26.347 9.933 449 H GLN 58 HN GLN 58 119.974 -25.935 7.408 450 HA GLN 58 HA GLN 58 119.109 -23.686 8.831 451 1HB GLN 58 HB2 GLN 58 121.339 -24.722 9.023 452 2HB GLN 58 HB1 GLN 58 121.736 -24.164 7.410 453 1HG GLN 58 HG2 GLN 58 122.794 -22.769 9.052 454 2HG GLN 58 HG1 GLN 58 121.565 -21.845 8.193 455 1HE2 GLN 58 HE21 GLN 58 121.540 -20.388 9.891 456 2HE2 GLN 58 HE22 GLN 58 120.683 -20.719 11.361 457 H ILE 59 HN ILE 59 119.929 -24.146 5.461 458 HA ILE 59 HA ILE 59 119.887 -21.508 4.517 459 HB ILE 59 HB ILE 59 118.795 -23.930 3.048 460 1HG1 ILE 59 HG12 ILE 59 121.025 -24.443 3.761 461 2HG1 ILE 59 HG11 ILE 59 121.066 -24.100 2.030 462 1HG2 ILE 59 HG21 ILE 59 119.893 -21.358 1.942 463 2HG2 ILE 59 HG22 ILE 59 118.200 -21.805 2.047 464 3HG2 ILE 59 HG23 ILE 59 119.286 -22.728 0.997 465 1HD1 ILE 59 HD11 ILE 59 122.952 -23.211 3.264 466 2HD1 ILE 59 HD12 ILE 59 121.851 -22.234 4.233 467 3HD1 ILE 59 HD13 ILE 59 122.014 -21.925 2.493 468 H HIS 60 HN HIS 60 117.288 -23.825 4.873 469 HA HIS 60 HA HIS 60 115.114 -22.273 3.976 470 1HB HIS 60 HB2 HIS 60 115.146 -24.376 6.143 471 2HB HIS 60 HB1 HIS 60 113.679 -23.606 5.571 472 HD1 HIS 60 HD1 HIS 60 112.678 -24.477 3.453 473 HD2 HIS 60 HD2 HIS 60 116.382 -26.115 4.298 474 HE1 HIS 60 HE1 HIS 60 112.923 -26.443 1.899 475 HE2 HIS 60 HE2 HIS 60 115.291 -27.211 2.269 476 H LEU 61 HN LEU 61 116.399 -22.655 7.200 477 HA LEU 61 HA LEU 61 114.629 -21.070 8.669 478 1HB LEU 61 HB2 LEU 61 117.566 -21.269 9.211 479 2HB LEU 61 HB1 LEU 61 116.258 -21.112 10.365 480 HG LEU 61 HG LEU 61 116.835 -23.533 8.686 481 1HD1 LEU 61 HD11 LEU 61 118.464 -23.036 10.350 482 2HD1 LEU 61 HD12 LEU 61 117.612 -24.553 10.654 483 3HD1 LEU 61 HD13 LEU 61 117.236 -23.099 11.624 484 1HD2 LEU 61 HD21 LEU 61 115.180 -24.634 10.065 485 2HD2 LEU 61 HD22 LEU 61 114.487 -23.280 9.162 486 3HD2 LEU 61 HD23 LEU 61 114.836 -23.105 10.884 487 H LYS 62 HN LYS 62 117.866 -20.313 7.664 488 HA LYS 62 HA LYS 62 117.870 -17.578 8.148 489 1HB LYS 62 HB2 LYS 62 119.496 -19.326 6.374 490 2HB LYS 62 HB1 LYS 62 119.659 -17.584 6.218 491 1HG LYS 62 HG2 LYS 62 119.935 -18.992 8.851 492 2HG LYS 62 HG1 LYS 62 121.294 -18.755 7.745 493 1HD LYS 62 HD2 LYS 62 120.972 -16.351 7.812 494 2HD LYS 62 HD1 LYS 62 119.548 -16.545 8.831 495 1HE LYS 62 HE2 LYS 62 120.871 -17.366 10.639 496 2HE LYS 62 HE1 LYS 62 122.303 -17.464 9.615 497 1HZ LYS 62 HZ1 LYS 62 122.415 -15.128 9.475 498 2HZ LYS 62 HZ2 LYS 62 122.254 -15.480 11.104 499 3HZ LYS 62 HZ3 LYS 62 120.913 -14.907 10.220 500 H ALA 63 HN ALA 63 117.078 -19.167 5.044 501 HA ALA 63 HA ALA 63 116.695 -16.766 3.641 502 1HB ALA 63 HB1 ALA 63 115.534 -18.086 1.955 503 2HB ALA 63 HB2 ALA 63 115.410 -19.425 3.097 504 3HB ALA 63 HB3 ALA 63 116.994 -18.927 2.491 505 H LYS 64 HN LYS 64 114.362 -18.896 5.220 506 HA LYS 64 HA LYS 64 112.076 -17.430 4.491 507 1HB LYS 64 HB2 LYS 64 112.206 -19.803 5.390 508 2HB LYS 64 HB1 LYS 64 112.382 -19.103 6.986 509 1HG LYS 64 HG2 LYS 64 110.093 -19.872 6.501 510 2HG LYS 64 HG1 LYS 64 110.170 -18.141 6.847 511 1HD LYS 64 HD2 LYS 64 109.793 -17.552 4.618 512 2HD LYS 64 HD1 LYS 64 110.317 -19.123 4.018 513 1HE LYS 64 HE2 LYS 64 107.866 -18.693 3.861 514 2HE LYS 64 HE1 LYS 64 108.302 -20.148 4.744 515 1HZ LYS 64 HZ1 LYS 64 107.631 -17.567 6.076 516 2HZ LYS 64 HZ2 LYS 64 107.817 -19.070 6.795 517 3HZ LYS 64 HZ3 LYS 64 106.525 -18.806 5.757 518 H ALA 65 HN ALA 65 114.292 -17.117 7.161 519 HA ALA 65 HA ALA 65 112.819 -15.236 8.668 520 1HB ALA 65 HB1 ALA 65 114.935 -14.802 9.817 521 2HB ALA 65 HB2 ALA 65 115.802 -15.689 8.563 522 3HB ALA 65 HB3 ALA 65 114.672 -16.536 9.616 523 H ILE 66 HN ILE 66 115.553 -14.838 6.422 524 HA ILE 66 HA ILE 66 115.582 -12.015 6.418 525 HB ILE 66 HB ILE 66 116.602 -14.009 4.361 526 1HG1 ILE 66 HG12 ILE 66 118.051 -12.487 6.543 527 2HG1 ILE 66 HG11 ILE 66 117.616 -14.188 6.593 528 1HG2 ILE 66 HG21 ILE 66 117.215 -11.054 4.527 529 2HG2 ILE 66 HG22 ILE 66 116.307 -11.893 3.251 530 3HG2 ILE 66 HG23 ILE 66 118.018 -12.238 3.483 531 1HD1 ILE 66 HD11 ILE 66 119.575 -12.882 4.714 532 2HD1 ILE 66 HD12 ILE 66 119.129 -14.597 4.675 533 3HD1 ILE 66 HD13 ILE 66 119.955 -13.928 6.075 534 H TYR 67 HN TYR 67 113.951 -14.356 4.426 535 HA TYR 67 HA TYR 67 112.770 -12.803 2.442 536 1HB TYR 67 HB2 TYR 67 112.711 -15.210 2.423 537 2HB TYR 67 HB1 TYR 67 111.811 -15.246 3.926 538 HD1 TYR 67 HD1 TYR 67 109.642 -15.836 3.711 539 HD2 TYR 67 HD2 TYR 67 111.485 -13.678 0.593 540 HE1 TYR 67 HE1 TYR 67 107.549 -15.924 2.459 541 HE2 TYR 67 HE2 TYR 67 109.432 -13.696 -0.693 542 HH TYR 67 HH TYR 67 106.404 -14.757 0.677 543 H GLU 68 HN GLU 68 111.264 -13.784 5.531 544 HA GLU 68 HA GLU 68 109.109 -11.984 5.027 545 1HB GLU 68 HB2 GLU 68 109.763 -13.676 7.405 546 2HB GLU 68 HB1 GLU 68 108.326 -12.671 7.272 547 1HG GLU 68 HG2 GLU 68 107.650 -13.906 5.275 548 2HG GLU 68 HG1 GLU 68 109.084 -14.921 5.416 549 H LYS 69 HN LYS 69 112.106 -11.530 6.380 550 HA LYS 69 HA LYS 69 111.279 -9.346 8.100 551 1HB LYS 69 HB2 LYS 69 113.156 -10.777 8.793 552 2HB LYS 69 HB1 LYS 69 114.048 -10.308 7.355 553 1HG LYS 69 HG2 LYS 69 114.099 -7.996 8.151 554 2HG LYS 69 HG1 LYS 69 113.240 -8.482 9.615 555 1HD LYS 69 HD2 LYS 69 115.109 -9.970 10.192 556 2HD LYS 69 HD1 LYS 69 115.950 -9.471 8.719 557 1HE LYS 69 HE2 LYS 69 115.931 -7.141 9.549 558 2HE LYS 69 HE1 LYS 69 115.185 -7.705 11.042 559 1HZ LYS 69 HZ1 LYS 69 117.159 -9.100 11.405 560 2HZ LYS 69 HZ2 LYS 69 117.521 -7.463 11.366 561 3HZ LYS 69 HZ3 LYS 69 117.897 -8.427 10.041 562 H PHE 70 HN PHE 70 112.294 -9.785 4.812 563 HA PHE 70 HA PHE 70 112.711 -6.890 4.516 564 1HB PHE 70 HB2 PHE 70 114.605 -9.050 3.620 565 2HB PHE 70 HB1 PHE 70 114.618 -7.435 2.947 566 HD1 PHE 70 HD1 PHE 70 114.902 -5.509 4.703 567 HD2 PHE 70 HD2 PHE 70 115.974 -9.572 5.360 568 HE1 PHE 70 HE1 PHE 70 116.509 -4.801 6.420 569 HE2 PHE 70 HE2 PHE 70 117.574 -8.871 7.089 570 HZ PHE 70 HZ PHE 70 117.844 -6.483 7.618 571 H ILE 71 HN ILE 71 112.658 -9.949 2.775 572 HA ILE 71 HA ILE 71 112.126 -8.840 0.255 573 HB ILE 71 HB ILE 71 111.715 -11.676 1.251 574 1HG1 ILE 71 HG12 ILE 71 114.001 -10.950 1.499 575 2HG1 ILE 71 HG11 ILE 71 113.889 -12.131 0.199 576 1HG2 ILE 71 HG21 ILE 71 110.515 -11.801 -0.714 577 2HG2 ILE 71 HG22 ILE 71 112.161 -12.181 -1.270 578 3HG2 ILE 71 HG23 ILE 71 111.507 -10.569 -1.510 579 1HD1 ILE 71 HD11 ILE 71 113.964 -10.312 -1.437 580 2HD1 ILE 71 HD12 ILE 71 115.380 -10.328 -0.386 581 3HD1 ILE 71 HD13 ILE 71 114.095 -9.150 -0.118 582 H GLN 72 HN GLN 72 110.152 -9.914 2.840 583 HA GLN 72 HA GLN 72 107.669 -10.160 1.487 584 1HB GLN 72 HB2 GLN 72 108.173 -11.048 3.800 585 2HB GLN 72 HB1 GLN 72 108.098 -9.379 4.365 586 1HG GLN 72 HG2 GLN 72 105.988 -10.381 4.842 587 2HG GLN 72 HG1 GLN 72 105.782 -9.245 3.528 588 1HE2 GLN 72 HE21 GLN 72 103.895 -10.261 2.832 589 2HE2 GLN 72 HE22 GLN 72 103.930 -11.750 1.970 590 H THR 73 HN THR 73 106.104 -8.671 1.128 591 HA THR 73 HA THR 73 106.872 -5.878 1.331 592 HB THR 73 HB THR 73 104.290 -7.076 0.253 593 HG1 THR 73 HG1 THR 73 105.580 -7.824 -1.215 594 1HG2 THR 73 HG21 THR 73 105.639 -4.411 -0.259 595 2HG2 THR 73 HG22 THR 73 104.222 -4.659 0.754 596 3HG2 THR 73 HG23 THR 73 104.121 -4.952 -0.984 597 H ASP 74 HN ASP 74 105.935 -4.493 2.845 598 HA ASP 74 HA ASP 74 105.204 -3.943 4.874 599 1HB ASP 74 HB2 ASP 74 102.911 -4.346 3.874 600 2HB ASP 74 HB1 ASP 74 102.988 -6.005 4.458 601 H ALA 75 HN ALA 75 107.144 -4.846 5.490 602 HA ALA 75 HA ALA 75 106.989 -7.349 7.060 603 1HB ALA 75 HB1 ALA 75 109.197 -6.249 5.294 604 2HB ALA 75 HB2 ALA 75 108.372 -7.816 5.130 605 3HB ALA 75 HB3 ALA 75 109.452 -7.496 6.494 606 HA PRO 76 HA PRO 76 109.210 -5.106 10.467 607 1HB PRO 76 HB2 PRO 76 111.735 -6.414 9.565 608 2HB PRO 76 HB1 PRO 76 111.060 -6.296 11.193 609 1HG PRO 76 HG2 PRO 76 110.956 -8.545 9.640 610 2HG PRO 76 HG1 PRO 76 109.796 -8.180 10.935 611 1HD PRO 76 HD2 PRO 76 109.435 -8.239 8.052 612 2HD PRO 76 HD1 PRO 76 108.214 -8.151 9.333 613 H LYS 77 HN LYS 77 111.026 -5.654 7.423 614 HA LYS 77 HA LYS 77 111.003 -2.837 6.964 615 1HB LYS 77 HB2 LYS 77 113.109 -3.313 8.344 616 2HB LYS 77 HB1 LYS 77 113.680 -4.211 6.949 617 1HG LYS 77 HG2 LYS 77 114.563 -1.934 6.988 618 2HG LYS 77 HG1 LYS 77 113.561 -2.235 5.566 619 1HD LYS 77 HD2 LYS 77 113.074 -0.034 6.533 620 2HD LYS 77 HD1 LYS 77 111.676 -1.104 6.643 621 1HE LYS 77 HE2 LYS 77 111.947 0.130 8.717 622 2HE LYS 77 HE1 LYS 77 112.254 -1.585 8.990 623 1HZ LYS 77 HZ1 LYS 77 114.299 0.536 8.663 624 2HZ LYS 77 HZ2 LYS 77 114.641 -1.114 8.894 625 3HZ LYS 77 HZ3 LYS 77 113.899 -0.248 10.112 626 H GLU 78 HN GLU 78 109.834 -3.228 5.214 627 HA GLU 78 HA GLU 78 110.405 -5.334 3.417 628 1HB GLU 78 HB2 GLU 78 108.752 -4.330 1.906 629 2HB GLU 78 HB1 GLU 78 108.146 -4.465 3.547 630 1HG GLU 78 HG2 GLU 78 108.441 -2.122 3.908 631 2HG GLU 78 HG1 GLU 78 109.261 -1.942 2.357 632 H VAL 79 HN VAL 79 111.474 -5.347 1.568 633 HA VAL 79 HA VAL 79 113.284 -3.129 1.030 634 HB VAL 79 HB VAL 79 113.183 -5.907 -0.196 635 1HG1 VAL 79 HG11 VAL 79 115.347 -3.809 -0.327 636 2HG1 VAL 79 HG12 VAL 79 114.306 -4.315 -1.658 637 3HG1 VAL 79 HG13 VAL 79 115.462 -5.451 -0.963 638 1HG2 VAL 79 HG21 VAL 79 114.972 -4.829 1.969 639 2HG2 VAL 79 HG22 VAL 79 115.035 -6.452 1.245 640 3HG2 VAL 79 HG23 VAL 79 113.635 -5.953 2.173 641 H ASN 80 HN ASN 80 113.247 -1.978 -0.800 642 HA ASN 80 HA ASN 80 110.873 -2.143 -2.458 643 1HB ASN 80 HB2 ASN 80 113.168 -0.141 -2.463 644 2HB ASN 80 HB1 ASN 80 111.767 -0.039 -3.522 645 1HD2 ASN 80 HD21 ASN 80 112.981 0.498 -0.304 646 2HD2 ASN 80 HD22 ASN 80 111.542 1.184 0.336 647 H LEU 81 HN LEU 81 111.907 -4.260 -2.805 648 HA LEU 81 HA LEU 81 113.993 -4.549 -4.765 649 1HB LEU 81 HB2 LEU 81 113.973 -6.019 -3.034 650 2HB LEU 81 HB1 LEU 81 112.249 -6.406 -3.151 651 HG LEU 81 HG LEU 81 112.971 -7.548 -5.371 652 1HD1 LEU 81 HD11 LEU 81 115.096 -6.397 -5.489 653 2HD1 LEU 81 HD12 LEU 81 115.182 -8.165 -5.532 654 3HD1 LEU 81 HD13 LEU 81 115.624 -7.312 -4.055 655 1HD2 LEU 81 HD21 LEU 81 113.702 -9.544 -4.198 656 2HD2 LEU 81 HD22 LEU 81 112.355 -8.783 -3.357 657 3HD2 LEU 81 HD23 LEU 81 113.993 -8.606 -2.735 658 H ASP 82 HN ASP 82 113.733 -5.360 -6.807 659 HA ASP 82 HA ASP 82 111.584 -4.711 -8.422 660 1HB ASP 82 HB2 ASP 82 113.853 -5.260 -9.256 661 2HB ASP 82 HB1 ASP 82 113.584 -6.946 -8.844 662 H PHE 83 HN PHE 83 109.782 -5.692 -9.017 663 HA PHE 83 HA PHE 83 108.610 -7.508 -7.251 664 1HB PHE 83 HB2 PHE 83 106.647 -7.551 -8.708 665 2HB PHE 83 HB1 PHE 83 107.246 -5.918 -8.484 666 HD1 PHE 83 HD1 PHE 83 106.434 -8.508 -10.831 667 HD2 PHE 83 HD2 PHE 83 108.504 -4.824 -10.376 668 HE1 PHE 83 HE1 PHE 83 106.422 -8.206 -13.268 669 HE2 PHE 83 HE2 PHE 83 108.500 -4.517 -12.812 670 HZ PHE 83 HZ PHE 83 107.458 -6.208 -14.264 671 H HIS 84 HN HIS 84 110.299 -8.200 -10.259 672 HA HIS 84 HA HIS 84 109.287 -10.899 -10.311 673 1HB HIS 84 HB2 HIS 84 109.857 -9.984 -12.480 674 2HB HIS 84 HB1 HIS 84 111.473 -9.558 -11.937 675 HD1 HIS 84 HD1 HIS 84 109.413 -12.620 -12.921 676 HD2 HIS 84 HD2 HIS 84 113.369 -11.534 -12.237 677 HE1 HIS 84 HE1 HIS 84 110.788 -14.638 -13.464 678 HE2 HIS 84 HE2 HIS 84 113.120 -13.735 -13.521 679 H THR 85 HN THR 85 112.107 -9.237 -9.108 680 HA THR 85 HA THR 85 113.529 -11.580 -8.479 681 HB THR 85 HB THR 85 113.686 -8.837 -7.218 682 HG1 THR 85 HG1 THR 85 114.770 -10.043 -9.519 683 1HG2 THR 85 HG21 THR 85 114.735 -10.519 -5.824 684 2HG2 THR 85 HG22 THR 85 115.983 -9.570 -6.610 685 3HG2 THR 85 HG23 THR 85 115.587 -11.184 -7.213 686 H LYS 86 HN LYS 86 111.381 -9.456 -6.628 687 HA LYS 86 HA LYS 86 111.257 -10.865 -4.232 688 1HB LYS 86 HB2 LYS 86 108.935 -9.502 -5.652 689 2HB LYS 86 HB1 LYS 86 108.911 -10.150 -4.023 690 1HG LYS 86 HG2 LYS 86 110.629 -8.522 -3.369 691 2HG LYS 86 HG1 LYS 86 110.513 -7.810 -4.985 692 1HD LYS 86 HD2 LYS 86 108.196 -7.272 -4.662 693 2HD LYS 86 HD1 LYS 86 108.148 -8.168 -3.147 694 1HE LYS 86 HE2 LYS 86 109.751 -6.537 -2.191 695 2HE LYS 86 HE1 LYS 86 109.678 -5.629 -3.701 696 1HZ LYS 86 HZ1 LYS 86 107.359 -6.144 -1.886 697 2HZ LYS 86 HZ2 LYS 86 107.291 -5.336 -3.351 698 3HZ LYS 86 HZ3 LYS 86 108.162 -4.666 -2.083 699 H GLU 87 HN GLU 87 109.421 -11.333 -7.192 700 HA GLU 87 HA GLU 87 107.736 -13.394 -6.517 701 1HB GLU 87 HB2 GLU 87 107.535 -12.263 -8.604 702 2HB GLU 87 HB1 GLU 87 109.126 -12.810 -9.113 703 1HG GLU 87 HG2 GLU 87 108.364 -15.065 -9.188 704 2HG GLU 87 HG1 GLU 87 106.745 -14.584 -8.645 705 H VAL 88 HN VAL 88 110.956 -13.730 -7.960 706 HA VAL 88 HA VAL 88 111.090 -16.489 -8.044 707 HB VAL 88 HB VAL 88 113.330 -14.489 -7.615 708 1HG1 VAL 88 HG11 VAL 88 113.479 -17.364 -8.507 709 2HG1 VAL 88 HG12 VAL 88 114.059 -16.725 -6.969 710 3HG1 VAL 88 HG13 VAL 88 114.828 -16.226 -8.478 711 1HG2 VAL 88 HG21 VAL 88 112.008 -14.140 -9.647 712 2HG2 VAL 88 HG22 VAL 88 112.273 -15.801 -10.125 713 3HG2 VAL 88 HG23 VAL 88 113.638 -14.683 -10.043 714 H ILE 89 HN ILE 89 111.999 -14.321 -5.429 715 HA ILE 89 HA ILE 89 112.954 -16.334 -3.676 716 HB ILE 89 HB ILE 89 111.867 -13.607 -2.941 717 1HG1 ILE 89 HG12 ILE 89 114.703 -14.389 -3.646 718 2HG1 ILE 89 HG11 ILE 89 113.609 -13.522 -4.717 719 1HG2 ILE 89 HG21 ILE 89 112.182 -15.126 -1.037 720 2HG2 ILE 89 HG22 ILE 89 113.335 -13.801 -1.003 721 3HG2 ILE 89 HG23 ILE 89 113.856 -15.406 -1.533 722 1HD1 ILE 89 HD11 ILE 89 113.466 -11.759 -2.952 723 2HD1 ILE 89 HD12 ILE 89 115.031 -11.921 -3.753 724 3HD1 ILE 89 HD13 ILE 89 114.790 -12.581 -2.127 725 H THR 90 HN THR 90 109.827 -14.651 -3.989 726 HA THR 90 HA THR 90 108.583 -15.828 -1.765 727 HB THR 90 HB THR 90 106.405 -15.162 -2.776 728 HG1 THR 90 HG1 THR 90 107.906 -15.166 -5.076 729 1HG2 THR 90 HG21 THR 90 106.819 -12.780 -2.948 730 2HG2 THR 90 HG22 THR 90 108.542 -13.091 -3.143 731 3HG2 THR 90 HG23 THR 90 107.749 -13.470 -1.608 732 H ASN 91 HN ASN 91 109.304 -17.131 -4.806 733 HA ASN 91 HA ASN 91 107.393 -19.303 -4.514 734 1HB ASN 91 HB2 ASN 91 109.358 -18.718 -6.741 735 2HB ASN 91 HB1 ASN 91 108.184 -20.029 -6.740 736 1HD2 ASN 91 HD21 ASN 91 108.532 -17.745 -8.532 737 2HD2 ASN 91 HD22 ASN 91 107.031 -16.897 -8.525 738 H SER 92 HN SER 92 110.921 -18.903 -5.001 739 HA SER 92 HA SER 92 111.454 -21.660 -4.492 740 1HB SER 92 HB2 SER 92 113.321 -19.307 -4.791 741 2HB SER 92 HB1 SER 92 113.807 -21.001 -4.774 742 HG SER 92 HG SER 92 111.933 -20.886 -6.552 743 H ILE 93 HN ILE 93 110.619 -19.413 -2.300 744 HA ILE 93 HA ILE 93 112.712 -19.661 -0.376 745 HB ILE 93 HB ILE 93 110.947 -17.806 -0.524 746 1HG1 ILE 93 HG12 ILE 93 110.862 -17.523 1.983 747 2HG1 ILE 93 HG11 ILE 93 111.602 -19.118 2.113 748 1HG2 ILE 93 HG21 ILE 93 108.842 -18.092 0.633 749 2HG2 ILE 93 HG22 ILE 93 109.294 -19.746 1.055 750 3HG2 ILE 93 HG23 ILE 93 109.015 -19.338 -0.627 751 1HD1 ILE 93 HD11 ILE 93 112.807 -16.680 0.792 752 2HD1 ILE 93 HD12 ILE 93 113.561 -18.282 0.836 753 3HD1 ILE 93 HD13 ILE 93 113.288 -17.397 2.321 754 H THR 94 HN THR 94 110.054 -21.546 -1.263 755 HA THR 94 HA THR 94 109.626 -23.163 0.985 756 HB THR 94 HB THR 94 108.027 -23.232 -0.803 757 HG1 THR 94 HG1 THR 94 107.629 -25.261 -0.626 758 1HG2 THR 94 HG21 THR 94 109.521 -22.701 -2.646 759 2HG2 THR 94 HG22 THR 94 108.523 -24.107 -3.032 760 3HG2 THR 94 HG23 THR 94 110.216 -24.321 -2.571 761 H GLN 95 HN GLN 95 112.101 -23.308 -1.510 762 HA GLN 95 HA GLN 95 113.632 -25.059 0.127 763 1HB GLN 95 HB2 GLN 95 114.195 -26.595 -1.780 764 2HB GLN 95 HB1 GLN 95 112.551 -26.759 -1.190 765 1HG GLN 95 HG2 GLN 95 111.709 -25.518 -3.078 766 2HG GLN 95 HG1 GLN 95 113.351 -25.195 -3.630 767 1HE2 GLN 95 HE21 GLN 95 113.074 -26.177 -5.568 768 2HE2 GLN 95 HE22 GLN 95 112.865 -27.890 -5.739 769 HA PRO 96 HA PRO 96 115.729 -21.565 -1.833 770 1HB PRO 96 HB2 PRO 96 117.066 -20.754 0.364 771 2HB PRO 96 HB1 PRO 96 115.383 -20.312 0.047 772 1HG PRO 96 HG2 PRO 96 116.486 -22.419 1.846 773 2HG PRO 96 HG1 PRO 96 115.130 -21.308 2.115 774 1HD PRO 96 HD2 PRO 96 114.826 -23.910 1.362 775 2HD PRO 96 HD1 PRO 96 113.664 -22.628 0.979 776 H THR 97 HN THR 97 117.932 -21.046 -2.074 777 HA THR 97 HA THR 97 119.802 -23.266 -1.734 778 HB THR 97 HB THR 97 120.796 -22.293 -3.885 779 HG1 THR 97 HG1 THR 97 119.795 -20.647 -4.698 780 1HG2 THR 97 HG21 THR 97 118.092 -23.608 -4.021 781 2HG2 THR 97 HG22 THR 97 119.635 -24.425 -3.785 782 3HG2 THR 97 HG23 THR 97 119.299 -23.601 -5.318 783 H LEU 98 HN LEU 98 122.036 -22.288 -2.160 784 HA LEU 98 HA LEU 98 122.608 -20.817 0.097 785 1HB LEU 98 HB2 LEU 98 124.015 -22.346 -1.462 786 2HB LEU 98 HB1 LEU 98 124.488 -20.817 -2.181 787 HG LEU 98 HG LEU 98 125.251 -20.024 -0.010 788 1HD1 LEU 98 HD11 LEU 98 123.674 -21.291 1.331 789 2HD1 LEU 98 HD12 LEU 98 125.325 -21.643 1.859 790 3HD1 LEU 98 HD13 LEU 98 124.436 -22.791 0.850 791 1HD2 LEU 98 HD21 LEU 98 127.168 -21.513 0.190 792 2HD2 LEU 98 HD22 LEU 98 126.795 -21.181 -1.503 793 3HD2 LEU 98 HD23 LEU 98 126.331 -22.724 -0.783 794 H HIS 99 HN HIS 99 121.803 -19.622 -3.026 795 HA HIS 99 HA HIS 99 122.179 -16.931 -1.954 796 1HB HIS 99 HB2 HIS 99 123.648 -18.048 -4.138 797 2HB HIS 99 HB1 HIS 99 122.596 -16.784 -4.763 798 HD1 HIS 99 HD1 HIS 99 124.548 -15.153 -5.243 799 HD2 HIS 99 HD2 HIS 99 124.324 -16.340 -1.256 800 HE1 HIS 99 HE1 HIS 99 126.145 -13.692 -4.024 801 HE2 HIS 99 HE2 HIS 99 125.767 -14.156 -1.630 802 H SER 100 HN SER 100 119.771 -18.116 -1.751 803 HA SER 100 HA SER 100 118.070 -17.653 -3.937 804 1HB SER 100 HB2 SER 100 117.445 -17.878 -0.976 805 2HB SER 100 HB1 SER 100 116.216 -17.731 -2.228 806 HG SER 100 HG SER 100 117.064 -19.529 -3.216 807 H PHE 101 HN PHE 101 119.679 -15.371 -2.206 808 HA PHE 101 HA PHE 101 117.676 -13.342 -2.923 809 1HB PHE 101 HB2 PHE 101 119.830 -13.098 -0.800 810 2HB PHE 101 HB1 PHE 101 118.554 -11.937 -1.147 811 HD1 PHE 101 HD1 PHE 101 119.560 -14.580 0.926 812 HD2 PHE 101 HD2 PHE 101 116.096 -12.881 -0.873 813 HE1 PHE 101 HE1 PHE 101 118.131 -15.692 2.601 814 HE2 PHE 101 HE2 PHE 101 114.681 -14.016 0.826 815 HZ PHE 101 HZ PHE 101 115.712 -15.401 2.533 816 H ASP 102 HN ASP 102 119.929 -14.708 -4.412 817 HA ASP 102 HA ASP 102 122.192 -13.066 -4.707 818 1HB ASP 102 HB2 ASP 102 122.097 -15.358 -5.574 819 2HB ASP 102 HB1 ASP 102 120.904 -14.867 -6.768 820 H ALA 103 HN ALA 103 119.239 -13.183 -6.627 821 HA ALA 103 HA ALA 103 120.040 -11.074 -8.368 822 1HB ALA 103 HB1 ALA 103 118.358 -12.739 -9.025 823 2HB ALA 103 HB2 ALA 103 117.738 -11.094 -9.172 824 3HB ALA 103 HB3 ALA 103 117.259 -12.098 -7.803 825 H ALA 104 HN ALA 104 118.280 -11.254 -5.403 826 HA ALA 104 HA ALA 104 117.281 -8.594 -5.463 827 1HB ALA 104 HB1 ALA 104 116.206 -10.327 -4.209 828 2HB ALA 104 HB2 ALA 104 116.626 -8.967 -3.171 829 3HB ALA 104 HB3 ALA 104 117.588 -10.464 -3.103 830 H GLN 105 HN GLN 105 120.087 -10.125 -4.171 831 HA GLN 105 HA GLN 105 121.303 -8.052 -2.778 832 1HB GLN 105 HB2 GLN 105 122.081 -10.304 -2.660 833 2HB GLN 105 HB1 GLN 105 122.324 -10.378 -4.387 834 1HG GLN 105 HG2 GLN 105 124.261 -8.988 -4.226 835 2HG GLN 105 HG1 GLN 105 123.949 -8.675 -2.513 836 1HE2 GLN 105 HE21 GLN 105 125.977 -9.597 -1.918 837 2HE2 GLN 105 HE22 GLN 105 126.155 -11.309 -1.911 838 H SER 106 HN SER 106 121.456 -8.941 -6.206 839 HA SER 106 HA SER 106 123.091 -6.782 -6.962 840 1HB SER 106 HB2 SER 106 121.220 -8.480 -8.622 841 2HB SER 106 HB1 SER 106 122.538 -7.475 -9.238 842 HG SER 106 HG SER 106 122.746 -9.942 -8.575 843 H ARG 107 HN ARG 107 119.603 -7.218 -6.767 844 HA ARG 107 HA ARG 107 118.812 -4.828 -8.078 845 1HB ARG 107 HB2 ARG 107 117.388 -6.253 -5.840 846 2HB ARG 107 HB1 ARG 107 116.703 -4.984 -6.836 847 1HG ARG 107 HG2 ARG 107 117.530 -7.737 -7.702 848 2HG ARG 107 HG1 ARG 107 115.893 -7.091 -7.566 849 1HD ARG 107 HD2 ARG 107 116.408 -5.464 -9.330 850 2HD ARG 107 HD1 ARG 107 118.035 -6.135 -9.460 851 HE ARG 107 HE ARG 107 115.716 -7.851 -9.859 852 1HH1 ARG 107 HH11 ARG 107 118.758 -6.492 -11.089 853 2HH1 ARG 107 HH12 ARG 107 118.657 -7.245 -12.598 854 1HH2 ARG 107 HH21 ARG 107 115.535 -8.831 -11.940 855 2HH2 ARG 107 HH22 ARG 107 116.732 -8.586 -13.139 856 H VAL 108 HN VAL 108 119.286 -5.500 -4.671 857 HA VAL 108 HA VAL 108 118.730 -2.891 -3.847 858 HB VAL 108 HB VAL 108 120.192 -5.153 -2.484 859 1HG1 VAL 108 HG11 VAL 108 119.919 -3.884 -0.412 860 2HG1 VAL 108 HG12 VAL 108 119.251 -2.530 -1.327 861 3HG1 VAL 108 HG13 VAL 108 120.940 -2.988 -1.544 862 1HG2 VAL 108 HG21 VAL 108 117.885 -5.474 -3.039 863 2HG2 VAL 108 HG22 VAL 108 117.460 -3.957 -2.265 864 3HG2 VAL 108 HG23 VAL 108 118.064 -5.312 -1.281 865 H TYR 109 HN TYR 109 121.716 -4.466 -4.735 866 HA TYR 109 HA TYR 109 123.510 -2.467 -4.065 867 1HB TYR 109 HB2 TYR 109 124.474 -4.446 -4.694 868 2HB TYR 109 HB1 TYR 109 123.438 -4.674 -6.078 869 HD1 TYR 109 HD1 TYR 109 123.972 -3.409 -8.179 870 HD2 TYR 109 HD2 TYR 109 126.577 -3.370 -4.829 871 HE1 TYR 109 HE1 TYR 109 125.727 -2.603 -9.605 872 HE2 TYR 109 HE2 TYR 109 128.395 -2.547 -6.255 873 HH TYR 109 HH TYR 109 128.971 -2.607 -8.603 874 H GLN 110 HN GLN 110 121.723 -2.865 -7.151 875 HA GLN 110 HA GLN 110 122.774 -0.402 -8.163 876 1HB GLN 110 HB2 GLN 110 121.107 -0.677 -10.004 877 2HB GLN 110 HB1 GLN 110 122.188 -2.045 -9.794 878 1HG GLN 110 HG2 GLN 110 120.550 -3.324 -8.799 879 2HG GLN 110 HG1 GLN 110 119.426 -2.003 -8.592 880 1HE2 GLN 110 HE21 GLN 110 117.774 -2.962 -9.841 881 2HE2 GLN 110 HE22 GLN 110 117.932 -3.264 -11.529 882 H LEU 111 HN LEU 111 119.910 -1.359 -6.498 883 HA LEU 111 HA LEU 111 118.248 0.839 -6.685 884 1HB LEU 111 HB2 LEU 111 117.721 -1.306 -5.619 885 2HB LEU 111 HB1 LEU 111 118.850 -0.950 -4.337 886 HG LEU 111 HG LEU 111 117.406 0.990 -3.741 887 1HD1 LEU 111 HD11 LEU 111 115.491 -0.379 -5.619 888 2HD1 LEU 111 HD12 LEU 111 116.221 1.211 -5.846 889 3HD1 LEU 111 HD13 LEU 111 115.083 0.943 -4.523 890 1HD2 LEU 111 HD21 LEU 111 117.416 -1.106 -2.498 891 2HD2 LEU 111 HD22 LEU 111 116.209 -1.771 -3.595 892 3HD2 LEU 111 HD23 LEU 111 115.791 -0.415 -2.543 893 H MET 112 HN MET 112 120.708 0.128 -4.215 894 HA MET 112 HA MET 112 120.564 2.597 -2.880 895 1HB MET 112 HB2 MET 112 122.806 0.589 -3.023 896 2HB MET 112 HB1 MET 112 122.866 2.025 -2.017 897 1HG MET 112 HG2 MET 112 120.925 1.245 -0.778 898 2HG MET 112 HG1 MET 112 120.851 -0.198 -1.797 899 1HE MET 112 HE1 MET 112 122.728 -2.096 -1.772 900 2HE MET 112 HE2 MET 112 124.255 -1.947 -0.885 901 3HE MET 112 HE3 MET 112 123.892 -0.847 -2.207 902 H GLU 113 HN GLU 113 122.513 1.529 -5.572 903 HA GLU 113 HA GLU 113 124.234 3.708 -5.737 904 1HB GLU 113 HB2 GLU 113 124.438 1.531 -6.962 905 2HB GLU 113 HB1 GLU 113 123.117 2.039 -7.994 906 1HG GLU 113 HG2 GLU 113 125.668 3.618 -7.814 907 2HG GLU 113 HG1 GLU 113 125.519 2.225 -8.875 908 H GLN 114 HN GLN 114 121.272 3.190 -7.636 909 HA GLN 114 HA GLN 114 121.385 5.793 -8.784 910 1HB GLN 114 HB2 GLN 114 119.187 5.243 -9.748 911 2HB GLN 114 HB1 GLN 114 120.400 4.003 -10.024 912 1HG GLN 114 HG2 GLN 114 119.449 2.745 -8.113 913 2HG GLN 114 HG1 GLN 114 118.140 3.927 -8.037 914 1HE2 GLN 114 HE21 GLN 114 116.555 2.379 -8.530 915 2HE2 GLN 114 HE22 GLN 114 116.451 1.696 -10.119 916 H ASP 115 HN ASP 115 120.311 4.847 -5.783 917 HA ASP 115 HA ASP 115 118.571 7.209 -5.615 918 1HB ASP 115 HB2 ASP 115 117.280 5.310 -5.083 919 2HB ASP 115 HB1 ASP 115 118.535 4.654 -4.037 920 H SER 116 HN SER 116 120.879 5.404 -3.559 921 HA SER 116 HA SER 116 121.053 7.762 -1.872 922 1HB SER 116 HB2 SER 116 122.052 4.956 -1.394 923 2HB SER 116 HB1 SER 116 122.057 6.276 -0.226 924 HG SER 116 HG SER 116 119.578 5.785 -1.378 925 H TYR 117 HN TYR 117 123.030 5.955 -4.151 926 HA TYR 117 HA TYR 117 125.561 6.577 -3.120 927 1HB TYR 117 HB2 TYR 117 125.410 4.786 -4.547 928 2HB TYR 117 HB1 TYR 117 124.472 5.705 -5.736 929 HD1 TYR 117 HD1 TYR 117 127.888 5.049 -4.437 930 HD2 TYR 117 HD2 TYR 117 125.526 6.753 -7.527 931 HE1 TYR 117 HE1 TYR 117 129.866 5.140 -5.917 932 HE2 TYR 117 HE2 TYR 117 127.487 6.860 -8.986 933 HH TYR 117 HH TYR 117 129.992 6.916 -8.711 934 H THR 118 HN THR 118 123.521 8.253 -5.392 935 HA THR 118 HA THR 118 125.358 10.163 -6.310 936 HB THR 118 HB THR 118 123.216 11.482 -6.788 937 HG1 THR 118 HG1 THR 118 121.367 9.796 -6.516 938 1HG2 THR 118 HG21 THR 118 123.332 8.588 -7.683 939 2HG2 THR 118 HG22 THR 118 124.242 9.910 -8.406 940 3HG2 THR 118 HG23 THR 118 122.481 9.892 -8.506 941 H ARG 119 HN ARG 119 122.847 10.514 -3.876 942 HA ARG 119 HA ARG 119 123.807 12.966 -2.881 943 1HB ARG 119 HB2 ARG 119 122.234 12.465 -0.905 944 2HB ARG 119 HB1 ARG 119 121.530 12.644 -2.502 945 1HG ARG 119 HG2 ARG 119 121.440 10.191 -2.706 946 2HG ARG 119 HG1 ARG 119 122.077 10.059 -1.063 947 1HD ARG 119 HD2 ARG 119 120.146 11.207 -0.185 948 2HD ARG 119 HD1 ARG 119 119.533 11.489 -1.814 949 HE ARG 119 HE ARG 119 119.154 9.153 -2.025 950 1HH1 ARG 119 HH11 ARG 119 119.837 10.268 1.281 951 2HH1 ARG 119 HH12 ARG 119 119.145 8.935 2.045 952 1HH2 ARG 119 HH21 ARG 119 118.060 7.301 -0.944 953 2HH2 ARG 119 HH22 ARG 119 118.050 7.241 0.740 954 H PHE 120 HN PHE 120 124.593 9.688 -2.044 955 HA PHE 120 HA PHE 120 126.061 10.277 0.271 956 1HB PHE 120 HB2 PHE 120 125.610 8.000 -0.010 957 2HB PHE 120 HB1 PHE 120 126.129 8.004 -1.690 958 HD1 PHE 120 HD1 PHE 120 128.094 7.035 -2.182 959 HD2 PHE 120 HD2 PHE 120 127.579 8.637 1.723 960 HE1 PHE 120 HE1 PHE 120 130.308 6.229 -1.561 961 HE2 PHE 120 HE2 PHE 120 129.853 7.799 2.333 962 HZ PHE 120 HZ PHE 120 131.172 6.611 0.694 963 H LEU 121 HN LEU 121 126.974 10.298 -3.149 964 HA LEU 121 HA LEU 121 129.704 10.850 -2.698 965 1HB LEU 121 HB2 LEU 121 127.966 11.679 -5.024 966 2HB LEU 121 HB1 LEU 121 129.712 11.786 -4.996 967 HG LEU 121 HG LEU 121 128.078 9.254 -4.927 968 1HD1 LEU 121 HD11 LEU 121 129.070 8.861 -7.112 969 2HD1 LEU 121 HD12 LEU 121 129.886 10.423 -7.014 970 3HD1 LEU 121 HD13 LEU 121 128.121 10.354 -7.094 971 1HD2 LEU 121 HD21 LEU 121 130.237 8.102 -5.095 972 2HD2 LEU 121 HD22 LEU 121 130.118 9.039 -3.598 973 3HD2 LEU 121 HD23 LEU 121 131.065 9.652 -4.929 974 H LYS 122 HN LYS 122 126.889 12.779 -2.597 975 HA LYS 122 HA LYS 122 128.341 15.306 -2.379 976 1HB LYS 122 HB2 LYS 122 126.211 15.072 -3.644 977 2HB LYS 122 HB1 LYS 122 125.394 14.678 -2.147 978 1HG LYS 122 HG2 LYS 122 124.953 16.968 -2.813 979 2HG LYS 122 HG1 LYS 122 125.864 16.929 -1.305 980 1HD LYS 122 HD2 LYS 122 126.668 18.667 -2.869 981 2HD LYS 122 HD1 LYS 122 127.908 17.478 -2.478 982 1HE LYS 122 HE2 LYS 122 127.912 18.059 -4.863 983 2HE LYS 122 HE1 LYS 122 127.548 16.359 -4.600 984 1HZ LYS 122 HZ1 LYS 122 125.465 18.435 -5.139 985 2HZ LYS 122 HZ2 LYS 122 125.254 16.751 -5.079 986 3HZ LYS 122 HZ3 LYS 122 126.169 17.428 -6.297 987 H SER 123 HN SER 123 127.493 12.827 -0.234 988 HA SER 123 HA SER 123 126.693 14.272 2.046 989 1HB SER 123 HB2 SER 123 127.219 12.324 3.359 990 2HB SER 123 HB1 SER 123 126.541 11.779 1.826 991 HG SER 123 HG SER 123 128.567 11.254 1.120 992 H ASP 124 HN ASP 124 127.837 14.793 3.934 993 HA ASP 124 HA ASP 124 130.194 16.278 3.507 994 1HB ASP 124 HB2 ASP 124 128.962 15.367 6.116 995 2HB ASP 124 HB1 ASP 124 130.269 16.532 5.980 996 H ILE 125 HN ILE 125 129.647 13.043 4.745 997 HA ILE 125 HA ILE 125 132.282 12.678 5.681 998 HB ILE 125 HB ILE 125 130.267 11.253 6.337 999 1HG1 ILE 125 HG12 ILE 125 132.646 10.545 6.848 1000 2HG1 ILE 125 HG11 ILE 125 131.468 9.248 6.817 1001 1HG2 ILE 125 HG21 ILE 125 130.732 9.819 3.735 1002 2HG2 ILE 125 HG22 ILE 125 129.337 10.817 4.145 1003 3HG2 ILE 125 HG23 ILE 125 129.638 9.313 5.020 1004 1HD1 ILE 125 HD11 ILE 125 132.284 8.580 4.605 1005 2HD1 ILE 125 HD12 ILE 125 133.576 8.582 5.807 1006 3HD1 ILE 125 HD13 ILE 125 133.453 9.900 4.644 1007 H TYR 126 HN TYR 126 130.750 12.097 2.545 1008 HA TYR 126 HA TYR 126 133.070 10.886 1.428 1009 1HB TYR 126 HB2 TYR 126 130.629 10.766 0.594 1010 2HB TYR 126 HB1 TYR 126 130.970 12.316 -0.170 1011 HD1 TYR 126 HD1 TYR 126 131.048 8.849 -0.558 1012 HD2 TYR 126 HD2 TYR 126 133.151 12.353 -1.658 1013 HE1 TYR 126 HE1 TYR 126 132.072 7.649 -2.394 1014 HE2 TYR 126 HE2 TYR 126 134.176 11.159 -3.497 1015 HH TYR 126 HH TYR 126 134.627 8.758 -4.183 1016 H LEU 127 HN LEU 127 131.744 14.124 1.519 1017 HA LEU 127 HA LEU 127 133.699 15.274 -0.167 1018 1HB LEU 127 HB2 LEU 127 131.886 16.543 1.860 1019 2HB LEU 127 HB1 LEU 127 132.845 17.437 0.704 1020 HG LEU 127 HG LEU 127 130.528 15.586 0.155 1021 1HD1 LEU 127 HD11 LEU 127 130.874 18.524 -0.330 1022 2HD1 LEU 127 HD12 LEU 127 129.880 17.765 0.915 1023 3HD1 LEU 127 HD13 LEU 127 129.473 17.554 -0.787 1024 1HD2 LEU 127 HD21 LEU 127 132.223 15.252 -1.591 1025 2HD2 LEU 127 HD22 LEU 127 132.260 16.992 -1.895 1026 3HD2 LEU 127 HD23 LEU 127 130.789 16.063 -2.212 1027 H ASP 128 HN ASP 128 133.829 14.223 2.960 1028 HA ASP 128 HA ASP 128 136.070 15.843 3.835 1029 1HB ASP 128 HB2 ASP 128 134.536 15.010 5.508 1030 2HB ASP 128 HB1 ASP 128 134.765 13.359 4.958 1031 H LEU 129 HN LEU 129 135.470 12.647 2.514 1032 HA LEU 129 HA LEU 129 138.001 11.450 2.761 1033 1HB LEU 129 HB2 LEU 129 136.236 11.031 0.337 1034 2HB LEU 129 HB1 LEU 129 137.360 9.941 1.072 1035 HG LEU 129 HG LEU 129 134.772 10.761 2.366 1036 1HD1 LEU 129 HD11 LEU 129 133.978 8.552 1.715 1037 2HD1 LEU 129 HD12 LEU 129 135.488 8.274 0.842 1038 3HD1 LEU 129 HD13 LEU 129 134.388 9.541 0.309 1039 1HD2 LEU 129 HD21 LEU 129 135.190 8.805 3.795 1040 2HD2 LEU 129 HD22 LEU 129 136.441 10.039 3.985 1041 3HD2 LEU 129 HD23 LEU 129 136.766 8.590 3.030 1042 H MET 130 HN MET 130 136.604 13.366 0.206 1043 HA MET 130 HA MET 130 139.187 13.436 -1.145 1044 1HB MET 130 HB2 MET 130 137.791 14.865 -2.759 1045 2HB MET 130 HB1 MET 130 137.792 13.082 -2.909 1046 1HG MET 130 HG2 MET 130 135.567 13.194 -1.713 1047 2HG MET 130 HG1 MET 130 135.701 14.968 -1.753 1048 1HE MET 130 HE1 MET 130 136.885 12.294 -4.475 1049 2HE MET 130 HE2 MET 130 135.428 12.237 -5.443 1050 3HE MET 130 HE3 MET 130 135.399 11.654 -3.793 1051 H GLU 131 HN GLU 131 136.869 15.646 0.069 1052 HA GLU 131 HA GLU 131 137.019 17.670 1.089 1053 1HB GLU 131 HB2 GLU 131 139.249 17.042 2.007 1054 2HB GLU 131 HB1 GLU 131 140.008 17.601 0.525 1055 1HG GLU 131 HG2 GLU 131 139.140 19.873 1.000 1056 2HG GLU 131 HG1 GLU 131 138.527 19.272 2.539 1057 H GLY 132 HN GLY 132 139.220 17.612 -1.609 1058 1HA GLY 132 HA2 GLY 132 137.582 18.987 -3.400 1059 2HA GLY 132 HA1 GLY 132 138.687 20.146 -2.644 1060 H ARG 133 HN ARG 133 140.921 19.344 -2.412 1061 HA ARG 133 HA ARG 133 142.030 17.308 -3.795 1062 1HB ARG 133 HB2 ARG 133 143.211 18.427 -5.693 1063 2HB ARG 133 HB1 ARG 133 141.479 18.342 -5.923 1064 1HG ARG 133 HG2 ARG 133 141.401 20.749 -5.127 1065 2HG ARG 133 HG1 ARG 133 143.160 20.745 -5.271 1066 1HD ARG 133 HD2 ARG 133 141.184 20.151 -7.467 1067 2HD ARG 133 HD1 ARG 133 142.123 21.628 -7.291 1068 HE ARG 133 HE ARG 133 144.096 20.349 -7.728 1069 1HH1 ARG 133 HH11 ARG 133 141.055 18.588 -8.397 1070 2HH1 ARG 133 HH12 ARG 133 141.662 17.708 -9.711 1071 1HH2 ARG 133 HH21 ARG 133 144.946 19.081 -9.582 1072 2HH2 ARG 133 HH22 ARG 133 143.937 17.929 -10.338 1073 HA PRO 134 HA PRO 134 144.676 19.214 -0.632 1074 1HB PRO 134 HB2 PRO 134 145.119 16.381 0.039 1075 2HB PRO 134 HB1 PRO 134 144.536 17.691 1.068 1076 1HG PRO 134 HG2 PRO 134 142.912 15.725 0.270 1077 2HG PRO 134 HG1 PRO 134 142.336 17.396 0.424 1078 1HD PRO 134 HD2 PRO 134 143.180 15.910 -2.043 1079 2HD PRO 134 HD1 PRO 134 141.743 16.923 -1.780 Start of MODEL 17 1 1H SER 1 HT1 SER 1 137.411 5.858 8.543 2 2H SER 1 HT2 SER 1 138.173 4.340 8.688 3 3H SER 1 HT3 SER 1 136.519 4.425 8.392 4 HA SER 1 HA SER 1 137.725 3.812 6.453 5 1HB SER 1 HB2 SER 1 135.539 5.032 6.361 6 2HB SER 1 HB1 SER 1 136.421 6.553 6.298 7 HG SER 1 HG SER 1 135.825 4.826 4.309 8 H MET 2 HN MET 2 139.709 3.857 5.731 9 HA MET 2 HA MET 2 141.121 6.418 5.642 10 1HB MET 2 HB2 MET 2 143.259 5.102 5.833 11 2HB MET 2 HB1 MET 2 142.262 5.058 7.276 12 1HG MET 2 HG2 MET 2 141.475 2.820 6.643 13 2HG MET 2 HG1 MET 2 142.498 2.877 5.210 14 1HE MET 2 HE1 MET 2 144.153 2.861 9.531 15 2HE MET 2 HE2 MET 2 142.432 2.791 9.150 16 3HE MET 2 HE3 MET 2 143.351 4.255 8.808 17 H VAL 3 HN VAL 3 141.154 7.107 3.667 18 HA VAL 3 HA VAL 3 141.774 5.309 1.486 19 HB VAL 3 HB VAL 3 139.401 4.981 1.573 20 1HG1 VAL 3 HG11 VAL 3 139.098 7.976 1.699 21 2HG1 VAL 3 HG12 VAL 3 138.790 6.828 3.006 22 3HG1 VAL 3 HG13 VAL 3 137.778 6.812 1.561 23 1HG2 VAL 3 HG21 VAL 3 139.863 7.097 -0.531 24 2HG2 VAL 3 HG22 VAL 3 138.614 5.851 -0.524 25 3HG2 VAL 3 HG23 VAL 3 140.304 5.394 -0.677 26 H SER 4 HN SER 4 143.007 6.309 0.008 27 HA SER 4 HA SER 4 143.542 9.153 0.135 28 1HB SER 4 HB2 SER 4 144.360 7.073 -1.921 29 2HB SER 4 HB1 SER 4 145.090 8.661 -1.680 30 HG SER 4 HG SER 4 145.420 7.757 0.602 31 HA PRO 5 HA PRO 5 140.353 10.756 -2.457 32 1HB PRO 5 HB2 PRO 5 142.634 12.123 -3.830 33 2HB PRO 5 HB1 PRO 5 141.094 12.795 -3.273 34 1HG PRO 5 HG2 PRO 5 143.267 13.196 -1.846 35 2HG PRO 5 HG1 PRO 5 141.745 12.774 -1.037 36 1HD PRO 5 HD2 PRO 5 144.144 11.076 -1.564 37 2HD PRO 5 HD1 PRO 5 143.060 11.095 -0.156 38 H GLU 6 HN GLU 6 143.199 9.382 -3.963 39 HA GLU 6 HA GLU 6 141.973 9.221 -6.538 40 1HB GLU 6 HB2 GLU 6 143.917 7.812 -7.221 41 2HB GLU 6 HB1 GLU 6 144.375 9.329 -6.483 42 1HG GLU 6 HG2 GLU 6 145.897 7.872 -5.569 43 2HG GLU 6 HG1 GLU 6 144.651 7.891 -4.326 44 H GLU 7 HN GLU 7 142.210 7.025 -3.882 45 HA GLU 7 HA GLU 7 140.944 4.821 -5.133 46 1HB GLU 7 HB2 GLU 7 142.387 4.572 -3.187 47 2HB GLU 7 HB1 GLU 7 141.371 5.646 -2.252 48 1HG GLU 7 HG2 GLU 7 141.070 3.369 -1.552 49 2HG GLU 7 HG1 GLU 7 139.592 3.974 -2.285 50 H ALA 8 HN ALA 8 139.955 7.517 -3.087 51 HA ALA 8 HA ALA 8 137.256 6.787 -2.888 52 1HB ALA 8 HB1 ALA 8 138.323 9.613 -2.591 53 2HB ALA 8 HB2 ALA 8 138.444 8.373 -1.357 54 3HB ALA 8 HB3 ALA 8 136.863 8.963 -1.819 55 H VAL 9 HN VAL 9 138.845 8.995 -5.262 56 HA VAL 9 HA VAL 9 136.444 9.660 -6.601 57 HB VAL 9 HB VAL 9 137.738 10.217 -8.626 58 1HG1 VAL 9 HG11 VAL 9 139.022 11.260 -6.139 59 2HG1 VAL 9 HG12 VAL 9 137.599 11.904 -6.961 60 3HG1 VAL 9 HG13 VAL 9 139.178 11.963 -7.748 61 1HG2 VAL 9 HG21 VAL 9 140.130 9.118 -7.172 62 2HG2 VAL 9 HG22 VAL 9 140.179 10.028 -8.681 63 3HG2 VAL 9 HG23 VAL 9 139.382 8.455 -8.625 64 H LYS 10 HN LYS 10 138.518 6.881 -6.841 65 HA LYS 10 HA LYS 10 137.364 5.839 -9.190 66 1HB LYS 10 HB2 LYS 10 139.482 5.204 -7.568 67 2HB LYS 10 HB1 LYS 10 138.356 3.899 -7.229 68 1HG LYS 10 HG2 LYS 10 139.883 3.256 -8.985 69 2HG LYS 10 HG1 LYS 10 138.244 3.387 -9.627 70 1HD LYS 10 HD2 LYS 10 139.905 4.385 -11.149 71 2HD LYS 10 HD1 LYS 10 138.756 5.583 -10.553 72 1HE LYS 10 HE2 LYS 10 140.403 6.323 -8.885 73 2HE LYS 10 HE1 LYS 10 141.550 5.127 -9.487 74 1HZ LYS 10 HZ1 LYS 10 140.421 7.332 -11.130 75 2HZ LYS 10 HZ2 LYS 10 141.644 6.278 -11.580 76 3HZ LYS 10 HZ3 LYS 10 141.914 7.406 -10.356 77 H TRP 11 HN TRP 11 136.489 5.711 -5.801 78 HA TRP 11 HA TRP 11 134.385 3.792 -5.964 79 1HB TRP 11 HB2 TRP 11 134.689 6.163 -4.123 80 2HB TRP 11 HB1 TRP 11 133.519 4.884 -3.909 81 HD1 TRP 11 HD1 TRP 11 136.444 3.024 -4.826 82 HE1 TRP 11 HE1 TRP 11 137.802 2.315 -2.814 83 HE3 TRP 11 HE3 TRP 11 134.335 6.149 -1.412 84 HZ2 TRP 11 HZ2 TRP 11 137.902 2.963 -0.011 85 HZ3 TRP 11 HZ3 TRP 11 135.081 6.008 0.959 86 HH2 TRP 11 HH2 TRP 11 136.838 4.463 1.616 87 H GLY 12 HN GLY 12 134.705 7.203 -6.468 88 1HA GLY 12 HA2 GLY 12 131.956 7.917 -6.492 89 2HA GLY 12 HA1 GLY 12 133.283 8.893 -7.096 90 H GLU 13 HN GLU 13 133.811 6.319 -8.772 91 HA GLU 13 HA GLU 13 131.785 6.940 -10.778 92 1HB GLU 13 HB2 GLU 13 133.487 6.250 -12.482 93 2HB GLU 13 HB1 GLU 13 133.831 7.740 -11.623 94 1HG GLU 13 HG2 GLU 13 135.403 6.515 -10.183 95 2HG GLU 13 HG1 GLU 13 135.082 5.053 -11.116 96 H SER 14 HN SER 14 132.225 4.750 -8.571 97 HA SER 14 HA SER 14 130.781 2.809 -9.926 98 1HB SER 14 HB2 SER 14 132.473 0.895 -9.665 99 2HB SER 14 HB1 SER 14 132.717 2.012 -11.004 100 HG SER 14 HG SER 14 134.095 3.068 -9.076 101 H PHE 15 HN PHE 15 129.357 2.851 -8.362 102 HA PHE 15 HA PHE 15 129.715 2.847 -5.626 103 1HB PHE 15 HB2 PHE 15 127.580 3.328 -6.680 104 2HB PHE 15 HB1 PHE 15 127.462 1.680 -7.267 105 HD1 PHE 15 HD1 PHE 15 128.004 3.369 -3.979 106 HD2 PHE 15 HD2 PHE 15 125.928 0.398 -6.175 107 HE1 PHE 15 HE1 PHE 15 126.724 2.776 -1.971 108 HE2 PHE 15 HE2 PHE 15 124.649 -0.201 -4.167 109 HZ PHE 15 HZ PHE 15 125.046 0.990 -2.066 110 H ASP 16 HN ASP 16 129.705 0.110 -7.834 111 HA ASP 16 HA ASP 16 129.581 -1.944 -5.897 112 1HB ASP 16 HB2 ASP 16 129.201 -2.492 -8.217 113 2HB ASP 16 HB1 ASP 16 130.814 -1.946 -8.660 114 H LYS 17 HN LYS 17 132.279 -0.166 -7.249 115 HA LYS 17 HA LYS 17 134.307 -1.677 -5.972 116 1HB LYS 17 HB2 LYS 17 134.989 -0.371 -7.848 117 2HB LYS 17 HB1 LYS 17 134.262 1.084 -7.166 118 1HG LYS 17 HG2 LYS 17 135.865 1.245 -5.505 119 2HG LYS 17 HG1 LYS 17 136.534 -0.340 -5.867 120 1HD LYS 17 HD2 LYS 17 137.325 0.490 -8.013 121 2HD LYS 17 HD1 LYS 17 136.595 2.069 -7.670 122 1HE LYS 17 HE2 LYS 17 139.013 1.995 -7.179 123 2HE LYS 17 HE1 LYS 17 138.016 2.393 -5.786 124 1HZ LYS 17 HZ1 LYS 17 138.217 -0.030 -5.145 125 2HZ LYS 17 HZ2 LYS 17 139.538 0.941 -5.019 126 3HZ LYS 17 HZ3 LYS 17 139.470 -0.163 -6.302 127 H LEU 18 HN LEU 18 132.649 1.297 -5.221 128 HA LEU 18 HA LEU 18 133.840 2.109 -2.853 129 1HB LEU 18 HB2 LEU 18 132.278 3.512 -3.880 130 2HB LEU 18 HB1 LEU 18 131.079 2.246 -3.996 131 HG LEU 18 HG LEU 18 130.741 2.400 -1.536 132 1HD1 LEU 18 HD11 LEU 18 132.890 3.338 -0.910 133 2HD1 LEU 18 HD12 LEU 18 131.568 4.374 -0.373 134 3HD1 LEU 18 HD13 LEU 18 132.515 4.815 -1.795 135 1HD2 LEU 18 HD21 LEU 18 129.496 4.480 -1.634 136 2HD2 LEU 18 HD22 LEU 18 129.303 3.513 -3.106 137 3HD2 LEU 18 HD23 LEU 18 130.370 4.918 -3.107 138 H LEU 19 HN LEU 19 131.122 0.027 -3.403 139 HA LEU 19 HA LEU 19 130.487 -0.480 -0.716 140 1HB LEU 19 HB2 LEU 19 129.147 -0.435 -2.890 141 2HB LEU 19 HB1 LEU 19 129.675 -2.088 -3.076 142 HG LEU 19 HG LEU 19 128.513 -2.705 -1.034 143 1HD1 LEU 19 HD11 LEU 19 128.829 -0.516 0.124 144 2HD1 LEU 19 HD12 LEU 19 127.146 -1.026 0.159 145 3HD1 LEU 19 HD13 LEU 19 127.683 0.215 -0.986 146 1HD2 LEU 19 HD21 LEU 19 126.900 -1.055 -2.962 147 2HD2 LEU 19 HD22 LEU 19 126.261 -2.331 -1.921 148 3HD2 LEU 19 HD23 LEU 19 127.403 -2.719 -3.213 149 H SER 20 HN SER 20 132.633 -2.036 -2.974 150 HA SER 20 HA SER 20 132.754 -4.446 -1.348 151 1HB SER 20 HB2 SER 20 134.203 -3.782 -3.917 152 2HB SER 20 HB1 SER 20 134.163 -5.359 -3.121 153 HG SER 20 HG SER 20 132.196 -3.964 -4.487 154 H HIS 21 HN HIS 21 134.152 -1.483 -1.280 155 HA HIS 21 HA HIS 21 136.795 -2.410 -0.391 156 1HB HIS 21 HB2 HIS 21 136.242 -0.245 -1.887 157 2HB HIS 21 HB1 HIS 21 135.835 0.447 -0.330 158 HD1 HIS 21 HD1 HIS 21 137.826 1.229 1.147 159 HD2 HIS 21 HD2 HIS 21 138.952 -0.837 -2.273 160 HE1 HIS 21 HE1 HIS 21 140.289 1.581 0.932 161 HE2 HIS 21 HE2 HIS 21 140.932 0.406 -1.204 162 H ARG 22 HN ARG 22 137.054 -2.638 1.812 163 HA ARG 22 HA ARG 22 134.812 -2.604 3.529 164 1HB ARG 22 HB2 ARG 22 136.961 -3.947 3.821 165 2HB ARG 22 HB1 ARG 22 137.739 -2.475 4.362 166 1HG ARG 22 HG2 ARG 22 135.339 -3.640 5.762 167 2HG ARG 22 HG1 ARG 22 136.986 -4.133 6.137 168 1HD ARG 22 HD2 ARG 22 137.552 -1.917 6.838 169 2HD ARG 22 HD1 ARG 22 136.016 -1.287 6.244 170 HE ARG 22 HE ARG 22 135.768 -3.344 8.214 171 1HH1 ARG 22 HH11 ARG 22 136.457 0.097 7.880 172 2HH1 ARG 22 HH12 ARG 22 135.463 0.599 9.166 173 1HH2 ARG 22 HH21 ARG 22 134.447 -2.687 10.091 174 2HH2 ARG 22 HH22 ARG 22 134.344 -1.035 10.508 175 H ASP 23 HN ASP 23 137.330 -0.262 3.051 176 HA ASP 23 HA ASP 23 136.407 1.652 4.964 177 1HB ASP 23 HB2 ASP 23 138.099 2.084 2.501 178 2HB ASP 23 HB1 ASP 23 137.751 3.339 3.685 179 H GLY 24 HN GLY 24 135.260 0.863 1.831 180 1HA GLY 24 HA2 GLY 24 133.970 3.463 1.486 181 2HA GLY 24 HA1 GLY 24 134.016 2.178 0.294 182 H LEU 25 HN LEU 25 133.241 0.072 1.869 183 HA LEU 25 HA LEU 25 130.498 0.187 1.995 184 1HB LEU 25 HB2 LEU 25 131.180 -1.978 2.052 185 2HB LEU 25 HB1 LEU 25 132.639 -1.601 2.929 186 HG LEU 25 HG LEU 25 130.063 -1.628 4.464 187 1HD1 LEU 25 HD11 LEU 25 129.997 -3.653 3.055 188 2HD1 LEU 25 HD12 LEU 25 130.290 -4.052 4.749 189 3HD1 LEU 25 HD13 LEU 25 131.623 -4.071 3.594 190 1HD2 LEU 25 HD21 LEU 25 132.177 -1.007 5.602 191 2HD2 LEU 25 HD22 LEU 25 132.915 -2.474 4.995 192 3HD2 LEU 25 HD23 LEU 25 131.604 -2.583 6.181 193 H GLU 26 HN GLU 26 132.918 0.804 4.435 194 HA GLU 26 HA GLU 26 131.107 1.445 6.474 195 1HB GLU 26 HB2 GLU 26 133.333 0.791 6.934 196 2HB GLU 26 HB1 GLU 26 133.999 2.190 6.097 197 1HG GLU 26 HG2 GLU 26 132.833 3.670 7.723 198 2HG GLU 26 HG1 GLU 26 132.330 2.237 8.610 199 H ALA 27 HN ALA 27 132.782 3.436 4.001 200 HA ALA 27 HA ALA 27 132.000 5.938 5.033 201 1HB ALA 27 HB1 ALA 27 132.522 5.131 2.149 202 2HB ALA 27 HB2 ALA 27 133.722 5.806 3.236 203 3HB ALA 27 HB3 ALA 27 132.337 6.775 2.713 204 H PHE 28 HN PHE 28 130.505 3.775 2.727 205 HA PHE 28 HA PHE 28 128.320 5.489 2.207 206 1HB PHE 28 HB2 PHE 28 129.140 3.805 0.573 207 2HB PHE 28 HB1 PHE 28 128.525 2.532 1.624 208 HD1 PHE 28 HD1 PHE 28 126.318 1.810 1.418 209 HD2 PHE 28 HD2 PHE 28 127.467 5.545 -0.257 210 HE1 PHE 28 HE1 PHE 28 124.107 2.020 0.364 211 HE2 PHE 28 HE2 PHE 28 125.260 5.759 -1.313 212 HZ PHE 28 HZ PHE 28 123.579 4.000 -1.006 213 H THR 29 HN THR 29 128.759 2.666 4.362 214 HA THR 29 HA THR 29 126.041 2.591 5.048 215 HB THR 29 HB THR 29 127.673 0.674 5.497 216 HG1 THR 29 HG1 THR 29 125.724 1.579 7.325 217 1HG2 THR 29 HG21 THR 29 128.847 0.650 7.661 218 2HG2 THR 29 HG22 THR 29 128.353 2.320 7.944 219 3HG2 THR 29 HG23 THR 29 129.450 1.938 6.616 220 H ARG 30 HN ARG 30 128.675 4.566 6.274 221 HA ARG 30 HA ARG 30 127.302 5.555 8.569 222 1HB ARG 30 HB2 ARG 30 129.429 6.896 6.883 223 2HB ARG 30 HB1 ARG 30 128.840 7.509 8.415 224 1HG ARG 30 HG2 ARG 30 129.700 5.452 9.509 225 2HG ARG 30 HG1 ARG 30 130.367 4.962 7.952 226 1HD ARG 30 HD2 ARG 30 131.714 6.973 7.852 227 2HD ARG 30 HD1 ARG 30 131.025 7.534 9.369 228 HE ARG 30 HE ARG 30 132.170 5.035 9.803 229 1HH1 ARG 30 HH11 ARG 30 133.161 8.378 9.057 230 2HH1 ARG 30 HH12 ARG 30 134.692 8.280 9.757 231 1HH2 ARG 30 HH21 ARG 30 134.346 4.856 10.779 232 2HH2 ARG 30 HH22 ARG 30 135.400 6.198 10.709 233 H PHE 31 HN PHE 31 127.446 6.657 5.228 234 HA PHE 31 HA PHE 31 125.692 8.845 5.744 235 1HB PHE 31 HB2 PHE 31 127.221 8.900 3.818 236 2HB PHE 31 HB1 PHE 31 126.374 7.529 3.100 237 HD1 PHE 31 HD1 PHE 31 124.474 7.860 1.773 238 HD2 PHE 31 HD2 PHE 31 125.930 11.027 4.206 239 HE1 PHE 31 HE1 PHE 31 122.862 9.393 0.742 240 HE2 PHE 31 HE2 PHE 31 124.322 12.566 3.171 241 HZ PHE 31 HZ PHE 31 122.784 11.747 1.445 242 H LEU 32 HN LEU 32 125.265 5.554 4.695 243 HA LEU 32 HA LEU 32 122.571 5.669 3.958 244 1HB LEU 32 HB2 LEU 32 124.441 3.775 3.837 245 2HB LEU 32 HB1 LEU 32 123.699 3.310 5.349 246 HG LEU 32 HG LEU 32 121.567 2.935 4.216 247 1HD1 LEU 32 HD11 LEU 32 121.398 3.123 1.803 248 2HD1 LEU 32 HD12 LEU 32 123.037 3.771 1.727 249 3HD1 LEU 32 HD13 LEU 32 121.763 4.688 2.531 250 1HD2 LEU 32 HD21 LEU 32 122.233 1.045 2.855 251 2HD2 LEU 32 HD22 LEU 32 123.214 1.120 4.320 252 3HD2 LEU 32 HD23 LEU 32 123.882 1.657 2.781 253 H LYS 33 HN LYS 33 124.166 5.359 7.052 254 HA LYS 33 HA LYS 33 122.006 4.798 8.744 255 1HB LYS 33 HB2 LYS 33 124.578 6.288 9.224 256 2HB LYS 33 HB1 LYS 33 123.399 6.020 10.506 257 1HG LYS 33 HG2 LYS 33 123.713 3.606 10.180 258 2HG LYS 33 HG1 LYS 33 124.923 3.961 8.939 259 1HD LYS 33 HD2 LYS 33 126.258 5.181 10.569 260 2HD LYS 33 HD1 LYS 33 125.048 4.865 11.812 261 1HE LYS 33 HE2 LYS 33 126.692 2.804 10.356 262 2HE LYS 33 HE1 LYS 33 126.943 3.348 12.012 263 1HZ LYS 33 HZ1 LYS 33 125.776 1.314 12.087 264 2HZ LYS 33 HZ2 LYS 33 124.696 1.794 10.906 265 3HZ LYS 33 HZ3 LYS 33 124.602 2.507 12.450 266 H THR 34 HN THR 34 123.274 7.926 7.619 267 HA THR 34 HA THR 34 121.591 9.358 9.396 268 HB THR 34 HB THR 34 123.742 10.340 8.779 269 HG1 THR 34 HG1 THR 34 122.759 12.122 9.196 270 1HG2 THR 34 HG21 THR 34 123.898 9.555 6.474 271 2HG2 THR 34 HG22 THR 34 124.137 11.303 6.553 272 3HG2 THR 34 HG23 THR 34 122.594 10.638 6.005 273 H GLU 35 HN GLU 35 121.126 8.243 6.125 274 HA GLU 35 HA GLU 35 118.640 9.762 6.107 275 1HB GLU 35 HB2 GLU 35 118.360 9.065 3.739 276 2HB GLU 35 HB1 GLU 35 119.820 9.992 4.037 277 1HG GLU 35 HG2 GLU 35 121.195 8.124 3.744 278 2HG GLU 35 HG1 GLU 35 119.840 7.001 3.901 279 H PHE 36 HN PHE 36 119.540 7.114 7.457 280 HA PHE 36 HA PHE 36 118.563 5.270 8.308 281 1HB PHE 36 HB2 PHE 36 116.023 6.747 7.575 282 2HB PHE 36 HB1 PHE 36 116.096 5.346 8.638 283 HD1 PHE 36 HD1 PHE 36 117.269 5.525 10.820 284 HD2 PHE 36 HD2 PHE 36 116.570 8.919 8.351 285 HE1 PHE 36 HE1 PHE 36 117.695 7.004 12.739 286 HE2 PHE 36 HE2 PHE 36 116.991 10.405 10.263 287 HZ PHE 36 HZ PHE 36 117.556 9.449 12.460 288 H SER 37 HN SER 37 119.414 5.008 5.696 289 HA SER 37 HA SER 37 117.418 3.183 4.519 290 1HB SER 37 HB2 SER 37 119.760 4.563 3.185 291 2HB SER 37 HB1 SER 37 118.554 3.553 2.390 292 HG SER 37 HG SER 37 118.437 6.045 2.543 293 H GLU 38 HN GLU 38 119.497 2.800 6.665 294 HA GLU 38 HA GLU 38 121.696 1.390 5.619 295 1HB GLU 38 HB2 GLU 38 121.857 2.484 7.753 296 2HB GLU 38 HB1 GLU 38 120.557 1.506 8.412 297 1HG GLU 38 HG2 GLU 38 121.908 -0.443 8.380 298 2HG GLU 38 HG1 GLU 38 123.174 0.382 7.472 299 H GLU 39 HN GLU 39 118.463 0.401 6.409 300 HA GLU 39 HA GLU 39 118.996 -2.323 6.706 301 1HB GLU 39 HB2 GLU 39 116.436 -2.513 5.902 302 2HB GLU 39 HB1 GLU 39 116.916 -2.082 7.528 303 1HG GLU 39 HG2 GLU 39 115.116 -0.670 6.765 304 2HG GLU 39 HG1 GLU 39 116.573 0.277 7.005 305 H ASN 40 HN ASN 40 118.895 -0.500 3.881 306 HA ASN 40 HA ASN 40 118.567 -2.577 1.960 307 1HB ASN 40 HB2 ASN 40 120.160 0.005 1.827 308 2HB ASN 40 HB1 ASN 40 119.968 -1.071 0.456 309 1HD2 ASN 40 HD21 ASN 40 118.379 1.172 2.581 310 2HD2 ASN 40 HD22 ASN 40 116.971 1.419 1.633 311 H ILE 41 HN ILE 41 121.436 -1.210 3.498 312 HA ILE 41 HA ILE 41 123.202 -3.000 2.229 313 HB ILE 41 HB ILE 41 123.516 -0.666 3.791 314 1HG1 ILE 41 HG12 ILE 41 125.582 -2.449 2.480 315 2HG1 ILE 41 HG11 ILE 41 124.653 -1.178 1.714 316 1HG2 ILE 41 HG21 ILE 41 123.798 -1.973 5.824 317 2HG2 ILE 41 HG22 ILE 41 125.296 -1.165 5.371 318 3HG2 ILE 41 HG23 ILE 41 125.100 -2.895 5.069 319 1HD1 ILE 41 HD11 ILE 41 125.790 0.488 3.101 320 2HD1 ILE 41 HD12 ILE 41 126.908 -0.469 2.127 321 3HD1 ILE 41 HD13 ILE 41 126.737 -0.803 3.855 322 H GLU 42 HN GLU 42 121.603 -2.997 5.372 323 HA GLU 42 HA GLU 42 122.860 -5.443 6.036 324 1HB GLU 42 HB2 GLU 42 120.762 -3.855 7.435 325 2HB GLU 42 HB1 GLU 42 121.178 -5.485 7.975 326 1HG GLU 42 HG2 GLU 42 123.504 -4.838 8.168 327 2HG GLU 42 HG1 GLU 42 123.153 -3.215 7.669 328 H PHE 43 HN PHE 43 120.328 -4.791 4.031 329 HA PHE 43 HA PHE 43 118.918 -7.222 4.176 330 1HB PHE 43 HB2 PHE 43 118.003 -5.444 2.823 331 2HB PHE 43 HB1 PHE 43 119.475 -5.333 1.869 332 HD1 PHE 43 HD1 PHE 43 116.384 -7.128 2.403 333 HD2 PHE 43 HD2 PHE 43 119.941 -6.984 0.114 334 HE1 PHE 43 HE1 PHE 43 115.385 -8.635 0.779 335 HE2 PHE 43 HE2 PHE 43 118.957 -8.522 -1.535 336 HZ PHE 43 HZ PHE 43 116.666 -9.350 -1.203 337 H TRP 44 HN TRP 44 121.519 -6.197 1.937 338 HA TRP 44 HA TRP 44 121.841 -9.015 1.567 339 1HB TRP 44 HB2 TRP 44 123.627 -8.570 -0.165 340 2HB TRP 44 HB1 TRP 44 121.992 -8.068 -0.534 341 HD1 TRP 44 HD1 TRP 44 121.891 -5.850 -1.676 342 HE1 TRP 44 HE1 TRP 44 123.351 -3.779 -1.817 343 HE3 TRP 44 HE3 TRP 44 125.517 -7.208 1.660 344 HZ2 TRP 44 HZ2 TRP 44 125.726 -2.805 -0.607 345 HZ3 TRP 44 HZ3 TRP 44 127.347 -5.640 2.111 346 HH2 TRP 44 HH2 TRP 44 127.447 -3.484 0.996 347 H ILE 45 HN ILE 45 123.327 -6.843 3.544 348 HA ILE 45 HA ILE 45 125.607 -8.402 4.064 349 HB ILE 45 HB ILE 45 124.222 -6.146 5.265 350 1HG1 ILE 45 HG12 ILE 45 127.143 -6.830 5.058 351 2HG1 ILE 45 HG11 ILE 45 126.193 -5.904 3.904 352 1HG2 ILE 45 HG21 ILE 45 125.890 -7.749 7.206 353 2HG2 ILE 45 HG22 ILE 45 124.135 -7.605 7.225 354 3HG2 ILE 45 HG23 ILE 45 125.121 -6.168 7.485 355 1HD1 ILE 45 HD11 ILE 45 125.870 -4.161 5.586 356 2HD1 ILE 45 HD12 ILE 45 127.579 -4.460 5.269 357 3HD1 ILE 45 HD13 ILE 45 126.828 -5.097 6.733 358 H ALA 46 HN ALA 46 122.262 -8.640 5.051 359 HA ALA 46 HA ALA 46 122.529 -10.707 6.946 360 1HB ALA 46 HB1 ALA 46 120.189 -11.317 6.211 361 2HB ALA 46 HB2 ALA 46 120.313 -10.038 5.002 362 3HB ALA 46 HB3 ALA 46 120.387 -9.638 6.719 363 H CYS 47 HN CYS 47 122.037 -10.596 3.486 364 HA CYS 47 HA CYS 47 121.987 -13.356 2.972 365 1HB CYS 47 HB2 CYS 47 122.754 -11.107 1.108 366 2HB CYS 47 HB1 CYS 47 122.200 -12.713 0.641 367 HG CYS 47 HG CYS 47 120.293 -10.310 2.211 368 H GLU 48 HN GLU 48 124.592 -11.101 3.367 369 HA GLU 48 HA GLU 48 126.623 -12.714 2.239 370 1HB GLU 48 HB2 GLU 48 126.834 -10.281 2.490 371 2HB GLU 48 HB1 GLU 48 126.778 -10.448 4.234 372 1HG GLU 48 HG2 GLU 48 128.892 -11.598 4.227 373 2HG GLU 48 HG1 GLU 48 128.923 -11.589 2.466 374 H ASP 49 HN ASP 49 125.415 -12.248 5.540 375 HA ASP 49 HA ASP 49 127.180 -14.103 6.815 376 1HB ASP 49 HB2 ASP 49 125.797 -12.401 8.051 377 2HB ASP 49 HB1 ASP 49 124.356 -13.317 7.638 378 H PHE 50 HN PHE 50 124.142 -14.263 5.238 379 HA PHE 50 HA PHE 50 123.390 -16.902 5.707 380 1HB PHE 50 HB2 PHE 50 121.845 -15.232 4.919 381 2HB PHE 50 HB1 PHE 50 122.797 -14.973 3.469 382 HD1 PHE 50 HD1 PHE 50 120.799 -17.498 5.254 383 HD2 PHE 50 HD2 PHE 50 122.296 -16.110 1.540 384 HE1 PHE 50 HE1 PHE 50 119.403 -19.147 4.069 385 HE2 PHE 50 HE2 PHE 50 120.905 -17.744 0.349 386 HZ PHE 50 HZ PHE 50 119.457 -19.266 1.619 387 H LYS 51 HN LYS 51 125.119 -15.495 2.883 388 HA LYS 51 HA LYS 51 125.407 -18.044 1.716 389 1HB LYS 51 HB2 LYS 51 126.854 -16.990 0.003 390 2HB LYS 51 HB1 LYS 51 125.291 -16.240 0.193 391 1HG LYS 51 HG2 LYS 51 126.840 -14.502 -0.178 392 2HG LYS 51 HG1 LYS 51 126.440 -14.438 1.530 393 1HD LYS 51 HD2 LYS 51 128.553 -15.479 2.097 394 2HD LYS 51 HD1 LYS 51 128.930 -15.716 0.386 395 1HE LYS 51 HE2 LYS 51 128.970 -13.321 0.031 396 2HE LYS 51 HE1 LYS 51 128.493 -13.038 1.701 397 1HZ LYS 51 HZ1 LYS 51 130.854 -12.707 1.301 398 2HZ LYS 51 HZ2 LYS 51 131.049 -14.327 0.866 399 3HZ LYS 51 HZ3 LYS 51 130.575 -13.895 2.446 400 H LYS 52 HN LYS 52 127.316 -16.525 4.077 401 HA LYS 52 HA LYS 52 129.550 -18.255 3.463 402 1HB LYS 52 HB2 LYS 52 130.702 -17.286 5.345 403 2HB LYS 52 HB1 LYS 52 129.925 -15.985 4.430 404 1HG LYS 52 HG2 LYS 52 128.113 -15.992 6.128 405 2HG LYS 52 HG1 LYS 52 129.058 -17.163 7.056 406 1HD LYS 52 HD2 LYS 52 130.935 -15.552 7.081 407 2HD LYS 52 HD1 LYS 52 129.896 -14.379 6.274 408 1HE LYS 52 HE2 LYS 52 128.314 -14.593 8.203 409 2HE LYS 52 HE1 LYS 52 129.535 -15.577 9.012 410 1HZ LYS 52 HZ1 LYS 52 131.083 -13.647 8.696 411 2HZ LYS 52 HZ2 LYS 52 129.796 -13.331 9.759 412 3HZ LYS 52 HZ3 LYS 52 129.749 -12.757 8.173 413 H SER 53 HN SER 53 126.613 -18.721 4.827 414 HA SER 53 HA SER 53 127.449 -20.688 6.781 415 1HB SER 53 HB2 SER 53 124.690 -19.954 5.744 416 2HB SER 53 HB1 SER 53 125.035 -20.978 7.138 417 HG SER 53 HG SER 53 125.773 -18.237 6.880 418 H LYS 54 HN LYS 54 127.653 -22.795 6.252 419 HA LYS 54 HA LYS 54 126.910 -23.463 3.504 420 1HB LYS 54 HB2 LYS 54 128.739 -25.193 3.554 421 2HB LYS 54 HB1 LYS 54 129.254 -23.525 3.584 422 1HG LYS 54 HG2 LYS 54 130.669 -24.724 5.056 423 2HG LYS 54 HG1 LYS 54 129.591 -23.768 6.065 424 1HD LYS 54 HD2 LYS 54 128.246 -25.744 6.528 425 2HD LYS 54 HD1 LYS 54 129.245 -26.704 5.435 426 1HE LYS 54 HE2 LYS 54 130.232 -25.327 7.932 427 2HE LYS 54 HE1 LYS 54 129.826 -27.037 7.816 428 1HZ LYS 54 HZ1 LYS 54 132.227 -26.538 7.605 429 2HZ LYS 54 HZ2 LYS 54 131.920 -25.761 6.113 430 3HZ LYS 54 HZ3 LYS 54 131.600 -27.388 6.305 431 H GLY 55 HN GLY 55 125.603 -23.923 6.294 432 1HA GLY 55 HA2 GLY 55 125.159 -26.783 6.140 433 2HA GLY 55 HA1 GLY 55 124.461 -25.675 7.321 434 HA PRO 56 HA PRO 56 122.032 -25.935 3.082 435 1HB PRO 56 HB2 PRO 56 121.313 -28.787 3.442 436 2HB PRO 56 HB1 PRO 56 121.805 -27.928 1.979 437 1HG PRO 56 HG2 PRO 56 123.460 -29.634 3.202 438 2HG PRO 56 HG1 PRO 56 124.059 -28.149 2.440 439 1HD PRO 56 HD2 PRO 56 123.571 -28.734 5.336 440 2HD PRO 56 HD1 PRO 56 124.919 -27.859 4.575 441 H GLN 57 HN GLN 57 121.359 -27.583 6.109 442 HA GLN 57 HA GLN 57 118.502 -27.262 5.870 443 1HB GLN 57 HB2 GLN 57 120.177 -27.845 8.326 444 2HB GLN 57 HB1 GLN 57 118.428 -27.974 8.225 445 1HG GLN 57 HG2 GLN 57 118.654 -29.769 6.583 446 2HG GLN 57 HG1 GLN 57 120.411 -29.638 6.690 447 1HE2 GLN 57 HE21 GLN 57 117.537 -30.630 8.263 448 2HE2 GLN 57 HE22 GLN 57 118.253 -31.517 9.557 449 H GLN 58 HN GLN 58 121.194 -25.719 7.431 450 HA GLN 58 HA GLN 58 119.945 -23.657 8.833 451 1HB GLN 58 HB2 GLN 58 122.305 -24.261 9.112 452 2HB GLN 58 HB1 GLN 58 122.653 -23.735 7.476 453 1HG GLN 58 HG2 GLN 58 123.433 -22.110 9.053 454 2HG GLN 58 HG1 GLN 58 122.100 -21.430 8.124 455 1HE2 GLN 58 HE21 GLN 58 123.180 -22.511 11.200 456 2HE2 GLN 58 HE22 GLN 58 121.837 -21.928 12.121 457 H ILE 59 HN ILE 59 120.922 -23.924 5.475 458 HA ILE 59 HA ILE 59 120.508 -21.333 4.540 459 HB ILE 59 HB ILE 59 119.760 -23.854 3.038 460 1HG1 ILE 59 HG12 ILE 59 122.018 -24.163 3.743 461 2HG1 ILE 59 HG11 ILE 59 122.053 -23.718 2.044 462 1HG2 ILE 59 HG21 ILE 59 120.203 -22.571 1.012 463 2HG2 ILE 59 HG22 ILE 59 120.538 -21.145 2.002 464 3HG2 ILE 59 HG23 ILE 59 118.927 -21.854 2.002 465 1HD1 ILE 59 HD11 ILE 59 122.612 -21.875 4.349 466 2HD1 ILE 59 HD12 ILE 59 122.774 -21.478 2.624 467 3HD1 ILE 59 HD13 ILE 59 123.811 -22.709 3.374 468 H HIS 60 HN HIS 60 118.255 -23.995 4.795 469 HA HIS 60 HA HIS 60 115.949 -22.738 3.769 470 1HB HIS 60 HB2 HIS 60 116.220 -25.009 5.724 471 2HB HIS 60 HB1 HIS 60 114.651 -24.403 5.213 472 HD1 HIS 60 HD1 HIS 60 113.762 -25.253 3.083 473 HD2 HIS 60 HD2 HIS 60 117.751 -26.137 3.630 474 HE1 HIS 60 HE1 HIS 60 114.346 -26.818 1.188 475 HE2 HIS 60 HE2 HIS 60 116.810 -26.974 1.303 476 H LEU 61 HN LEU 61 117.239 -22.827 6.979 477 HA LEU 61 HA LEU 61 115.026 -21.659 8.338 478 1HB LEU 61 HB2 LEU 61 117.881 -21.425 9.174 479 2HB LEU 61 HB1 LEU 61 116.451 -21.559 10.176 480 HG LEU 61 HG LEU 61 117.645 -23.739 8.507 481 1HD1 LEU 61 HD11 LEU 61 118.986 -23.114 10.322 482 2HD1 LEU 61 HD12 LEU 61 118.287 -24.721 10.598 483 3HD1 LEU 61 HD13 LEU 61 117.651 -23.303 11.464 484 1HD2 LEU 61 HD21 LEU 61 116.055 -25.202 9.656 485 2HD2 LEU 61 HD22 LEU 61 115.281 -23.996 8.642 486 3HD2 LEU 61 HD23 LEU 61 115.299 -23.782 10.402 487 H LYS 62 HN LYS 62 118.213 -20.486 7.595 488 HA LYS 62 HA LYS 62 117.820 -17.806 8.212 489 1HB LYS 62 HB2 LYS 62 119.828 -19.116 6.417 490 2HB LYS 62 HB1 LYS 62 119.839 -17.388 6.740 491 1HG LYS 62 HG2 LYS 62 120.003 -19.529 8.841 492 2HG LYS 62 HG1 LYS 62 121.379 -18.639 8.178 493 1HD LYS 62 HD2 LYS 62 120.474 -16.574 8.927 494 2HD LYS 62 HD1 LYS 62 119.008 -17.359 9.520 495 1HE LYS 62 HE2 LYS 62 121.812 -17.839 10.550 496 2HE LYS 62 HE1 LYS 62 120.587 -16.863 11.355 497 1HZ LYS 62 HZ1 LYS 62 120.333 -19.777 10.783 498 2HZ LYS 62 HZ2 LYS 62 119.233 -18.870 11.671 499 3HZ LYS 62 HZ3 LYS 62 120.802 -19.129 12.246 500 H ALA 63 HN ALA 63 117.497 -19.337 4.996 501 HA ALA 63 HA ALA 63 117.029 -16.957 3.594 502 1HB ALA 63 HB1 ALA 63 117.484 -19.086 2.445 503 2HB ALA 63 HB2 ALA 63 115.966 -18.360 1.885 504 3HB ALA 63 HB3 ALA 63 115.937 -19.696 3.037 505 H LYS 64 HN LYS 64 114.841 -19.205 5.149 506 HA LYS 64 HA LYS 64 112.434 -17.959 4.415 507 1HB LYS 64 HB2 LYS 64 112.746 -20.272 5.360 508 2HB LYS 64 HB1 LYS 64 112.950 -19.533 6.936 509 1HG LYS 64 HG2 LYS 64 110.700 -20.450 6.560 510 2HG LYS 64 HG1 LYS 64 110.686 -18.712 6.887 511 1HD LYS 64 HD2 LYS 64 110.270 -18.175 4.654 512 2HD LYS 64 HD1 LYS 64 110.762 -19.769 4.087 513 1HE LYS 64 HE2 LYS 64 108.343 -19.372 3.991 514 2HE LYS 64 HE1 LYS 64 108.796 -20.764 4.960 515 1HZ LYS 64 HZ1 LYS 64 108.176 -18.105 6.177 516 2HZ LYS 64 HZ2 LYS 64 108.278 -19.597 6.954 517 3HZ LYS 64 HZ3 LYS 64 107.026 -19.284 5.868 518 H ALA 65 HN ALA 65 114.607 -17.449 7.118 519 HA ALA 65 HA ALA 65 112.967 -15.654 8.572 520 1HB ALA 65 HB1 ALA 65 114.860 -16.838 9.594 521 2HB ALA 65 HB2 ALA 65 115.011 -15.092 9.798 522 3HB ALA 65 HB3 ALA 65 115.978 -15.925 8.579 523 H ILE 66 HN ILE 66 115.691 -15.134 6.360 524 HA ILE 66 HA ILE 66 115.592 -12.315 6.364 525 HB ILE 66 HB ILE 66 116.754 -14.252 4.338 526 1HG1 ILE 66 HG12 ILE 66 118.034 -12.656 6.571 527 2HG1 ILE 66 HG11 ILE 66 117.733 -14.384 6.577 528 1HG2 ILE 66 HG21 ILE 66 118.087 -12.399 3.471 529 2HG2 ILE 66 HG22 ILE 66 117.199 -11.263 4.499 530 3HG2 ILE 66 HG23 ILE 66 116.363 -12.146 3.215 531 1HD1 ILE 66 HD11 ILE 66 119.664 -12.859 4.860 532 2HD1 ILE 66 HD12 ILE 66 119.307 -14.583 4.646 533 3HD1 ILE 66 HD13 ILE 66 120.045 -14.010 6.139 534 H TYR 67 HN TYR 67 114.085 -14.723 4.331 535 HA TYR 67 HA TYR 67 112.862 -13.236 2.328 536 1HB TYR 67 HB2 TYR 67 112.831 -15.666 2.425 537 2HB TYR 67 HB1 TYR 67 111.868 -15.624 3.891 538 HD1 TYR 67 HD1 TYR 67 111.763 -14.385 0.406 539 HD2 TYR 67 HD2 TYR 67 109.612 -15.989 3.678 540 HE1 TYR 67 HE1 TYR 67 109.797 -14.453 -0.974 541 HE2 TYR 67 HE2 TYR 67 107.578 -16.098 2.312 542 HH TYR 67 HH TYR 67 106.661 -14.950 0.276 543 H GLU 68 HN GLU 68 111.392 -14.156 5.438 544 HA GLU 68 HA GLU 68 109.215 -12.416 4.904 545 1HB GLU 68 HB2 GLU 68 109.867 -14.106 7.273 546 2HB GLU 68 HB1 GLU 68 108.429 -13.096 7.156 547 1HG GLU 68 HG2 GLU 68 107.736 -14.285 5.151 548 2HG GLU 68 HG1 GLU 68 109.185 -15.282 5.230 549 H LYS 69 HN LYS 69 112.169 -11.854 6.240 550 HA LYS 69 HA LYS 69 111.186 -9.656 7.881 551 1HB LYS 69 HB2 LYS 69 112.920 -11.131 8.814 552 2HB LYS 69 HB1 LYS 69 114.006 -10.686 7.510 553 1HG LYS 69 HG2 LYS 69 114.207 -8.462 8.335 554 2HG LYS 69 HG1 LYS 69 112.906 -8.715 9.500 555 1HD LYS 69 HD2 LYS 69 115.083 -8.813 10.601 556 2HD LYS 69 HD1 LYS 69 114.276 -10.378 10.664 557 1HE LYS 69 HE2 LYS 69 115.646 -11.137 8.773 558 2HE LYS 69 HE1 LYS 69 116.457 -9.570 8.746 559 1HZ LYS 69 HZ1 LYS 69 116.521 -11.545 10.973 560 2HZ LYS 69 HZ2 LYS 69 117.196 -10.013 11.040 561 3HZ LYS 69 HZ3 LYS 69 117.805 -11.129 9.941 562 H PHE 70 HN PHE 70 112.264 -10.156 4.701 563 HA PHE 70 HA PHE 70 112.761 -7.285 4.376 564 1HB PHE 70 HB2 PHE 70 114.544 -9.506 3.389 565 2HB PHE 70 HB1 PHE 70 114.584 -7.885 2.729 566 HD1 PHE 70 HD1 PHE 70 115.705 -10.077 5.346 567 HD2 PHE 70 HD2 PHE 70 115.281 -5.996 4.226 568 HE1 PHE 70 HE1 PHE 70 117.392 -9.447 7.016 569 HE2 PHE 70 HE2 PHE 70 116.963 -5.358 5.902 570 HZ PHE 70 HZ PHE 70 118.024 -7.088 7.298 571 H ILE 71 HN ILE 71 112.682 -10.290 2.535 572 HA ILE 71 HA ILE 71 111.957 -9.234 0.041 573 HB ILE 71 HB ILE 71 111.537 -12.026 1.158 574 1HG1 ILE 71 HG12 ILE 71 113.836 -11.357 1.367 575 2HG1 ILE 71 HG11 ILE 71 113.688 -12.554 0.088 576 1HG2 ILE 71 HG21 ILE 71 111.883 -11.397 -1.774 577 2HG2 ILE 71 HG22 ILE 71 110.301 -11.505 -0.988 578 3HG2 ILE 71 HG23 ILE 71 111.372 -12.903 -0.980 579 1HD1 ILE 71 HD11 ILE 71 113.791 -10.765 -1.577 580 2HD1 ILE 71 HD12 ILE 71 115.222 -10.790 -0.543 581 3HD1 ILE 71 HD13 ILE 71 113.960 -9.584 -0.282 582 H GLN 72 HN GLN 72 110.144 -10.331 2.744 583 HA GLN 72 HA GLN 72 107.572 -10.609 1.593 584 1HB GLN 72 HB2 GLN 72 108.261 -11.537 3.741 585 2HB GLN 72 HB1 GLN 72 108.320 -9.907 4.439 586 1HG GLN 72 HG2 GLN 72 106.290 -10.838 5.136 587 2HG GLN 72 HG1 GLN 72 105.886 -9.761 3.804 588 1HE2 GLN 72 HE21 GLN 72 104.016 -10.823 3.260 589 2HE2 GLN 72 HE22 GLN 72 103.980 -12.406 2.596 590 H THR 73 HN THR 73 105.895 -9.153 1.487 591 HA THR 73 HA THR 73 106.623 -6.403 1.252 592 HB THR 73 HB THR 73 103.938 -7.757 1.012 593 HG1 THR 73 HG1 THR 73 105.068 -8.657 -0.501 594 1HG2 THR 73 HG21 THR 73 103.786 -5.354 1.273 595 2HG2 THR 73 HG22 THR 73 103.355 -5.810 -0.384 596 3HG2 THR 73 HG23 THR 73 104.941 -5.095 -0.039 597 H ASP 74 HN ASP 74 104.465 -8.228 3.338 598 HA ASP 74 HA ASP 74 104.023 -5.978 5.137 599 1HB ASP 74 HB2 ASP 74 103.191 -8.890 5.365 600 2HB ASP 74 HB1 ASP 74 102.788 -7.668 6.562 601 H ALA 75 HN ALA 75 106.733 -6.939 4.760 602 HA ALA 75 HA ALA 75 107.670 -8.468 6.969 603 1HB ALA 75 HB1 ALA 75 109.884 -7.781 6.223 604 2HB ALA 75 HB2 ALA 75 109.164 -6.615 5.111 605 3HB ALA 75 HB3 ALA 75 108.888 -8.347 4.878 606 HA PRO 76 HA PRO 76 108.218 -5.310 10.098 607 1HB PRO 76 HB2 PRO 76 110.499 -6.127 11.302 608 2HB PRO 76 HB1 PRO 76 108.972 -7.000 11.484 609 1HG PRO 76 HG2 PRO 76 111.240 -7.554 9.586 610 2HG PRO 76 HG1 PRO 76 110.396 -8.691 10.664 611 1HD PRO 76 HD2 PRO 76 109.806 -8.521 8.080 612 2HD PRO 76 HD1 PRO 76 108.527 -8.760 9.290 613 H LYS 77 HN LYS 77 110.405 -5.707 7.550 614 HA LYS 77 HA LYS 77 111.657 -3.111 8.170 615 1HB LYS 77 HB2 LYS 77 113.022 -5.492 6.911 616 2HB LYS 77 HB1 LYS 77 113.715 -3.884 6.994 617 1HG LYS 77 HG2 LYS 77 113.742 -4.000 9.422 618 2HG LYS 77 HG1 LYS 77 112.987 -5.597 9.363 619 1HD LYS 77 HD2 LYS 77 114.901 -6.461 8.123 620 2HD LYS 77 HD1 LYS 77 115.648 -4.866 8.154 621 1HE LYS 77 HE2 LYS 77 114.959 -6.479 10.602 622 2HE LYS 77 HE1 LYS 77 116.545 -6.459 9.840 623 1HZ LYS 77 HZ1 LYS 77 116.462 -4.986 11.696 624 2HZ LYS 77 HZ2 LYS 77 115.174 -4.101 11.061 625 3HZ LYS 77 HZ3 LYS 77 116.686 -4.091 10.293 626 H GLU 78 HN GLU 78 111.161 -5.441 5.545 627 HA GLU 78 HA GLU 78 110.334 -5.292 3.476 628 1HB GLU 78 HB2 GLU 78 109.818 -2.381 4.060 629 2HB GLU 78 HB1 GLU 78 109.454 -3.142 2.526 630 1HG GLU 78 HG2 GLU 78 107.927 -4.668 3.712 631 2HG GLU 78 HG1 GLU 78 108.237 -3.754 5.193 632 H VAL 79 HN VAL 79 110.890 -4.504 1.328 633 HA VAL 79 HA VAL 79 113.403 -3.007 1.144 634 HB VAL 79 HB VAL 79 112.852 -5.587 -0.368 635 1HG1 VAL 79 HG11 VAL 79 115.355 -3.949 -0.141 636 2HG1 VAL 79 HG12 VAL 79 114.303 -4.079 -1.552 637 3HG1 VAL 79 HG13 VAL 79 115.203 -5.490 -0.983 638 1HG2 VAL 79 HG21 VAL 79 113.191 -6.129 1.964 639 2HG2 VAL 79 HG22 VAL 79 114.709 -5.225 1.970 640 3HG2 VAL 79 HG23 VAL 79 114.543 -6.683 0.984 641 H ASN 80 HN ASN 80 113.525 -1.904 -0.879 642 HA ASN 80 HA ASN 80 111.038 -1.632 -2.393 643 1HB ASN 80 HB2 ASN 80 113.748 -0.282 -2.651 644 2HB ASN 80 HB1 ASN 80 112.398 0.061 -3.718 645 1HD2 ASN 80 HD21 ASN 80 113.621 0.348 -0.463 646 2HD2 ASN 80 HD22 ASN 80 112.545 1.590 0.043 647 H LEU 81 HN LEU 81 112.158 -4.131 -2.476 648 HA LEU 81 HA LEU 81 113.943 -4.720 -4.565 649 1HB LEU 81 HB2 LEU 81 113.674 -6.121 -2.721 650 2HB LEU 81 HB1 LEU 81 111.962 -6.412 -3.047 651 HG LEU 81 HG LEU 81 112.780 -7.590 -5.172 652 1HD1 LEU 81 HD11 LEU 81 115.381 -7.298 -3.764 653 2HD1 LEU 81 HD12 LEU 81 114.903 -6.526 -5.291 654 3HD1 LEU 81 HD13 LEU 81 115.039 -8.288 -5.180 655 1HD2 LEU 81 HD21 LEU 81 112.075 -8.821 -3.172 656 2HD2 LEU 81 HD22 LEU 81 113.706 -8.686 -2.515 657 3HD2 LEU 81 HD23 LEU 81 113.420 -9.611 -3.987 658 H ASP 82 HN ASP 82 113.652 -5.429 -6.600 659 HA ASP 82 HA ASP 82 111.554 -4.614 -8.206 660 1HB ASP 82 HB2 ASP 82 113.760 -5.166 -9.081 661 2HB ASP 82 HB1 ASP 82 113.527 -6.857 -8.659 662 H PHE 83 HN PHE 83 109.681 -5.421 -8.768 663 HA PHE 83 HA PHE 83 108.376 -7.303 -7.245 664 1HB PHE 83 HB2 PHE 83 106.527 -7.204 -8.876 665 2HB PHE 83 HB1 PHE 83 107.126 -5.620 -8.425 666 HD1 PHE 83 HD1 PHE 83 108.415 -4.281 -10.068 667 HD2 PHE 83 HD2 PHE 83 106.619 -7.991 -11.121 668 HE1 PHE 83 HE1 PHE 83 108.607 -3.694 -12.445 669 HE2 PHE 83 HE2 PHE 83 106.818 -7.415 -13.501 670 HZ PHE 83 HZ PHE 83 107.811 -5.263 -14.168 671 H HIS 84 HN HIS 84 110.054 -7.900 -10.303 672 HA HIS 84 HA HIS 84 108.992 -10.569 -10.450 673 1HB HIS 84 HB2 HIS 84 109.498 -9.496 -12.563 674 2HB HIS 84 HB1 HIS 84 111.156 -9.191 -12.070 675 HD1 HIS 84 HD1 HIS 84 109.004 -12.388 -12.467 676 HD2 HIS 84 HD2 HIS 84 112.824 -10.939 -13.287 677 HE1 HIS 84 HE1 HIS 84 110.181 -14.219 -13.641 678 HE2 HIS 84 HE2 HIS 84 112.347 -13.228 -14.386 679 H THR 85 HN THR 85 111.779 -9.026 -9.143 680 HA THR 85 HA THR 85 113.250 -11.411 -8.710 681 HB THR 85 HB THR 85 113.373 -8.786 -7.199 682 HG1 THR 85 HG1 THR 85 114.018 -9.406 -9.702 683 1HG2 THR 85 HG21 THR 85 115.346 -11.082 -7.382 684 2HG2 THR 85 HG22 THR 85 114.448 -10.587 -5.938 685 3HG2 THR 85 HG23 THR 85 115.667 -9.539 -6.603 686 H LYS 86 HN LYS 86 111.128 -9.437 -6.661 687 HA LYS 86 HA LYS 86 110.980 -11.002 -4.351 688 1HB LYS 86 HB2 LYS 86 108.673 -9.552 -5.697 689 2HB LYS 86 HB1 LYS 86 108.694 -10.186 -4.062 690 1HG LYS 86 HG2 LYS 86 110.242 -8.568 -3.347 691 2HG LYS 86 HG1 LYS 86 110.548 -8.034 -5.003 692 1HD LYS 86 HD2 LYS 86 109.054 -6.478 -3.873 693 2HD LYS 86 HD1 LYS 86 108.227 -7.289 -5.197 694 1HE LYS 86 HE2 LYS 86 106.666 -7.274 -3.429 695 2HE LYS 86 HE1 LYS 86 107.333 -8.902 -3.441 696 1HZ LYS 86 HZ1 LYS 86 108.302 -6.756 -1.658 697 2HZ LYS 86 HZ2 LYS 86 108.579 -8.435 -1.450 698 3HZ LYS 86 HZ3 LYS 86 107.037 -7.771 -1.257 699 H GLU 87 HN GLU 87 109.082 -11.140 -7.287 700 HA GLU 87 HA GLU 87 107.289 -13.120 -6.805 701 1HB GLU 87 HB2 GLU 87 107.239 -11.753 -8.764 702 2HB GLU 87 HB1 GLU 87 108.760 -12.421 -9.326 703 1HG GLU 87 HG2 GLU 87 107.699 -14.569 -9.656 704 2HG GLU 87 HG1 GLU 87 106.175 -13.908 -9.059 705 H VAL 88 HN VAL 88 110.484 -13.622 -8.338 706 HA VAL 88 HA VAL 88 110.184 -16.408 -8.481 707 HB VAL 88 HB VAL 88 112.815 -14.892 -8.410 708 1HG1 VAL 88 HG11 VAL 88 112.088 -17.606 -9.480 709 2HG1 VAL 88 HG12 VAL 88 113.073 -17.283 -8.053 710 3HG1 VAL 88 HG13 VAL 88 113.670 -16.840 -9.662 711 1HG2 VAL 88 HG21 VAL 88 111.350 -14.036 -10.170 712 2HG2 VAL 88 HG22 VAL 88 111.095 -15.675 -10.768 713 3HG2 VAL 88 HG23 VAL 88 112.697 -14.940 -10.860 714 H ILE 89 HN ILE 89 111.608 -14.346 -6.005 715 HA ILE 89 HA ILE 89 112.640 -16.419 -4.389 716 HB ILE 89 HB ILE 89 111.584 -13.738 -3.432 717 1HG1 ILE 89 HG12 ILE 89 114.393 -14.480 -4.284 718 2HG1 ILE 89 HG11 ILE 89 113.282 -13.482 -5.215 719 1HG2 ILE 89 HG21 ILE 89 113.053 -14.036 -1.539 720 2HG2 ILE 89 HG22 ILE 89 113.642 -15.571 -2.185 721 3HG2 ILE 89 HG23 ILE 89 111.963 -15.416 -1.657 722 1HD1 ILE 89 HD11 ILE 89 113.247 -11.886 -3.282 723 2HD1 ILE 89 HD12 ILE 89 114.804 -12.030 -4.103 724 3HD1 ILE 89 HD13 ILE 89 114.538 -12.844 -2.561 725 H THR 90 HN THR 90 109.519 -14.696 -4.321 726 HA THR 90 HA THR 90 108.460 -16.029 -2.092 727 HB THR 90 HB THR 90 106.225 -15.253 -2.819 728 HG1 THR 90 HG1 THR 90 107.559 -14.808 -5.276 729 1HG2 THR 90 HG21 THR 90 106.654 -12.848 -2.880 730 2HG2 THR 90 HG22 THR 90 108.335 -13.153 -3.290 731 3HG2 THR 90 HG23 THR 90 107.716 -13.633 -1.703 732 H ASN 91 HN ASN 91 108.762 -17.059 -5.333 733 HA ASN 91 HA ASN 91 106.834 -19.215 -5.019 734 1HB ASN 91 HB2 ASN 91 108.494 -18.318 -7.372 735 2HB ASN 91 HB1 ASN 91 107.454 -19.736 -7.402 736 1HD2 ASN 91 HD21 ASN 91 107.402 -17.102 -8.841 737 2HD2 ASN 91 HD22 ASN 91 105.809 -16.508 -8.558 738 H SER 92 HN SER 92 110.311 -18.739 -5.090 739 HA SER 92 HA SER 92 110.637 -21.654 -4.918 740 1HB SER 92 HB2 SER 92 112.524 -19.593 -6.055 741 2HB SER 92 HB1 SER 92 112.828 -21.330 -5.965 742 HG SER 92 HG SER 92 110.907 -19.941 -7.529 743 H ILE 93 HN ILE 93 110.330 -19.590 -2.688 744 HA ILE 93 HA ILE 93 112.905 -19.586 -1.398 745 HB ILE 93 HB ILE 93 111.301 -17.747 -0.976 746 1HG1 ILE 93 HG12 ILE 93 111.436 -17.642 1.498 747 2HG1 ILE 93 HG11 ILE 93 111.912 -19.332 1.544 748 1HG2 ILE 93 HG21 ILE 93 109.606 -19.858 0.285 749 2HG2 ILE 93 HG22 ILE 93 109.230 -18.874 -1.120 750 3HG2 ILE 93 HG23 ILE 93 109.323 -18.124 0.482 751 1HD1 ILE 93 HD11 ILE 93 113.927 -18.712 0.187 752 2HD1 ILE 93 HD12 ILE 93 113.884 -17.958 1.769 753 3HD1 ILE 93 HD13 ILE 93 113.439 -17.021 0.341 754 H THR 94 HN THR 94 110.170 -21.606 -1.498 755 HA THR 94 HA THR 94 110.449 -23.219 0.721 756 HB THR 94 HB THR 94 108.533 -23.414 -0.755 757 HG1 THR 94 HG1 THR 94 108.441 -25.334 0.049 758 1HG2 THR 94 HG21 THR 94 108.671 -24.471 -2.981 759 2HG2 THR 94 HG22 THR 94 110.426 -24.573 -2.814 760 3HG2 THR 94 HG23 THR 94 109.640 -22.993 -2.890 761 H GLN 95 HN GLN 95 112.429 -23.156 -2.181 762 HA GLN 95 HA GLN 95 114.153 -25.181 -0.981 763 1HB GLN 95 HB2 GLN 95 113.535 -24.992 -3.949 764 2HB GLN 95 HB1 GLN 95 114.722 -26.063 -3.226 765 1HG GLN 95 HG2 GLN 95 111.735 -26.164 -2.839 766 2HG GLN 95 HG1 GLN 95 112.715 -27.284 -3.782 767 1HE2 GLN 95 HE21 GLN 95 110.954 -27.784 -1.544 768 2HE2 GLN 95 HE22 GLN 95 111.924 -28.535 -0.320 769 HA PRO 96 HA PRO 96 116.390 -21.260 -1.814 770 1HB PRO 96 HB2 PRO 96 117.643 -21.121 0.551 771 2HB PRO 96 HB1 PRO 96 115.965 -20.601 0.343 772 1HG PRO 96 HG2 PRO 96 117.020 -23.191 1.409 773 2HG PRO 96 HG1 PRO 96 115.738 -22.153 2.064 774 1HD PRO 96 HD2 PRO 96 115.165 -24.346 0.563 775 2HD PRO 96 HD1 PRO 96 114.190 -22.872 0.533 776 H THR 97 HN THR 97 118.628 -20.776 -1.820 777 HA THR 97 HA THR 97 120.512 -22.967 -1.663 778 HB THR 97 HB THR 97 121.555 -21.902 -3.773 779 HG1 THR 97 HG1 THR 97 118.886 -21.172 -4.331 780 1HG2 THR 97 HG21 THR 97 120.198 -23.296 -5.280 781 2HG2 THR 97 HG22 THR 97 118.985 -23.466 -4.001 782 3HG2 THR 97 HG23 THR 97 120.612 -24.122 -3.776 783 H LEU 98 HN LEU 98 122.782 -21.633 -2.254 784 HA LEU 98 HA LEU 98 123.184 -20.117 0.081 785 1HB LEU 98 HB2 LEU 98 124.953 -20.411 -2.342 786 2HB LEU 98 HB1 LEU 98 125.436 -19.574 -0.891 787 HG LEU 98 HG LEU 98 126.459 -21.709 -0.899 788 1HD1 LEU 98 HD11 LEU 98 124.183 -21.729 1.041 789 2HD1 LEU 98 HD12 LEU 98 125.752 -20.949 1.246 790 3HD1 LEU 98 HD13 LEU 98 125.645 -22.707 1.153 791 1HD2 LEU 98 HD21 LEU 98 125.226 -23.824 -0.966 792 2HD2 LEU 98 HD22 LEU 98 124.993 -22.891 -2.444 793 3HD2 LEU 98 HD23 LEU 98 123.723 -22.938 -1.220 794 H HIS 99 HN HIS 99 122.313 -19.124 -3.129 795 HA HIS 99 HA HIS 99 122.107 -16.436 -2.050 796 1HB HIS 99 HB2 HIS 99 123.289 -17.129 -4.734 797 2HB HIS 99 HB1 HIS 99 122.572 -15.559 -4.422 798 HD1 HIS 99 HD1 HIS 99 123.865 -13.985 -2.714 799 HD2 HIS 99 HD2 HIS 99 125.829 -17.518 -3.727 800 HE1 HIS 99 HE1 HIS 99 126.229 -13.666 -1.999 801 HE2 HIS 99 HE2 HIS 99 127.443 -15.718 -2.855 802 H SER 100 HN SER 100 119.944 -17.714 -1.745 803 HA SER 100 HA SER 100 118.168 -17.710 -3.944 804 1HB SER 100 HB2 SER 100 117.663 -17.545 -0.959 805 2HB SER 100 HB1 SER 100 116.384 -17.692 -2.162 806 HG SER 100 HG SER 100 116.901 -19.594 -2.570 807 H PHE 101 HN PHE 101 119.604 -15.234 -2.297 808 HA PHE 101 HA PHE 101 117.598 -13.263 -3.141 809 1HB PHE 101 HB2 PHE 101 119.694 -12.937 -0.984 810 2HB PHE 101 HB1 PHE 101 118.336 -11.875 -1.325 811 HD1 PHE 101 HD1 PHE 101 115.967 -12.902 -0.988 812 HD2 PHE 101 HD2 PHE 101 119.533 -14.544 0.658 813 HE1 PHE 101 HE1 PHE 101 114.643 -14.108 0.704 814 HE2 PHE 101 HE2 PHE 101 118.202 -15.741 2.341 815 HZ PHE 101 HZ PHE 101 115.761 -15.526 2.354 816 H ASP 102 HN ASP 102 119.791 -14.531 -4.704 817 HA ASP 102 HA ASP 102 122.025 -12.766 -4.823 818 1HB ASP 102 HB2 ASP 102 122.228 -15.014 -5.711 819 2HB ASP 102 HB1 ASP 102 120.986 -14.683 -6.913 820 H ALA 103 HN ALA 103 119.134 -13.041 -6.850 821 HA ALA 103 HA ALA 103 119.832 -10.879 -8.551 822 1HB ALA 103 HB1 ALA 103 117.089 -11.994 -7.925 823 2HB ALA 103 HB2 ALA 103 118.165 -12.573 -9.199 824 3HB ALA 103 HB3 ALA 103 117.491 -10.944 -9.283 825 H ALA 104 HN ALA 104 117.935 -11.210 -5.663 826 HA ALA 104 HA ALA 104 116.993 -8.592 -5.474 827 1HB ALA 104 HB1 ALA 104 116.468 -9.162 -3.168 828 2HB ALA 104 HB2 ALA 104 117.435 -10.649 -3.310 829 3HB ALA 104 HB3 ALA 104 115.997 -10.397 -4.332 830 H GLN 105 HN GLN 105 119.962 -10.056 -4.415 831 HA GLN 105 HA GLN 105 121.044 -8.073 -2.777 832 1HB GLN 105 HB2 GLN 105 121.891 -10.451 -3.297 833 2HB GLN 105 HB1 GLN 105 122.555 -9.797 -4.773 834 1HG GLN 105 HG2 GLN 105 123.346 -8.862 -2.022 835 2HG GLN 105 HG1 GLN 105 124.157 -10.159 -2.880 836 1HE2 GLN 105 HE21 GLN 105 124.069 -8.884 -5.483 837 2HE2 GLN 105 HE22 GLN 105 125.125 -7.536 -5.410 838 H SER 106 HN SER 106 121.176 -8.561 -6.261 839 HA SER 106 HA SER 106 122.673 -6.253 -6.874 840 1HB SER 106 HB2 SER 106 122.508 -8.230 -8.371 841 2HB SER 106 HB1 SER 106 120.810 -7.854 -8.655 842 HG SER 106 HG SER 106 122.996 -6.150 -9.221 843 H ARG 107 HN ARG 107 119.209 -6.906 -6.635 844 HA ARG 107 HA ARG 107 118.313 -4.464 -7.789 845 1HB ARG 107 HB2 ARG 107 116.819 -6.034 -5.696 846 2HB ARG 107 HB1 ARG 107 116.150 -4.895 -6.848 847 1HG ARG 107 HG2 ARG 107 117.282 -7.621 -7.407 848 2HG ARG 107 HG1 ARG 107 115.601 -7.103 -7.511 849 1HD ARG 107 HD2 ARG 107 116.131 -5.667 -9.394 850 2HD ARG 107 HD1 ARG 107 117.849 -6.051 -9.240 851 HE ARG 107 HE ARG 107 115.864 -8.130 -9.754 852 1HH1 ARG 107 HH11 ARG 107 118.812 -6.378 -10.789 853 2HH1 ARG 107 HH12 ARG 107 119.200 -7.459 -12.024 854 1HH2 ARG 107 HH21 ARG 107 116.454 -9.656 -11.531 855 2HH2 ARG 107 HH22 ARG 107 117.863 -9.362 -12.420 856 H VAL 108 HN VAL 108 119.001 -5.377 -4.475 857 HA VAL 108 HA VAL 108 118.173 -2.874 -3.427 858 HB VAL 108 HB VAL 108 119.934 -5.012 -2.213 859 1HG1 VAL 108 HG11 VAL 108 120.319 -2.838 -1.122 860 2HG1 VAL 108 HG12 VAL 108 119.400 -3.926 -0.074 861 3HG1 VAL 108 HG13 VAL 108 118.571 -2.636 -0.962 862 1HG2 VAL 108 HG21 VAL 108 117.706 -5.712 -2.784 863 2HG2 VAL 108 HG22 VAL 108 117.034 -4.324 -1.936 864 3HG2 VAL 108 HG23 VAL 108 117.881 -5.588 -1.029 865 H TYR 109 HN TYR 109 121.246 -4.187 -4.417 866 HA TYR 109 HA TYR 109 122.906 -2.088 -3.743 867 1HB TYR 109 HB2 TYR 109 124.022 -3.949 -4.517 868 2HB TYR 109 HB1 TYR 109 122.923 -4.226 -5.843 869 HD1 TYR 109 HD1 TYR 109 126.100 -2.868 -4.828 870 HD2 TYR 109 HD2 TYR 109 123.149 -2.661 -7.865 871 HE1 TYR 109 HE1 TYR 109 127.724 -1.824 -6.343 872 HE2 TYR 109 HE2 TYR 109 124.704 -1.632 -9.366 873 HH TYR 109 HH TYR 109 126.713 -0.220 -9.049 874 H GLN 110 HN GLN 110 121.043 -2.545 -6.776 875 HA GLN 110 HA GLN 110 121.886 -0.083 -7.867 876 1HB GLN 110 HB2 GLN 110 120.114 -0.322 -9.558 877 2HB GLN 110 HB1 GLN 110 121.028 -1.810 -9.361 878 1HG GLN 110 HG2 GLN 110 119.300 -2.880 -8.306 879 2HG GLN 110 HG1 GLN 110 118.493 -1.385 -7.873 880 1HE2 GLN 110 HE21 GLN 110 117.383 -3.674 -9.151 881 2HE2 GLN 110 HE22 GLN 110 116.786 -3.167 -10.696 882 H LEU 111 HN LEU 111 119.192 -0.895 -5.798 883 HA LEU 111 HA LEU 111 117.551 1.342 -6.024 884 1HB LEU 111 HB2 LEU 111 118.262 -0.214 -3.544 885 2HB LEU 111 HB1 LEU 111 116.978 0.966 -3.628 886 HG LEU 111 HG LEU 111 117.089 -1.605 -5.182 887 1HD1 LEU 111 HD11 LEU 111 116.824 -1.971 -2.786 888 2HD1 LEU 111 HD12 LEU 111 115.334 -2.341 -3.655 889 3HD1 LEU 111 HD13 LEU 111 115.477 -0.832 -2.757 890 1HD2 LEU 111 HD21 LEU 111 114.899 0.452 -4.889 891 2HD2 LEU 111 HD22 LEU 111 114.759 -1.090 -5.733 892 3HD2 LEU 111 HD23 LEU 111 115.850 0.152 -6.344 893 H MET 112 HN MET 112 120.123 0.807 -3.682 894 HA MET 112 HA MET 112 120.010 3.559 -2.905 895 1HB MET 112 HB2 MET 112 121.879 2.954 -1.317 896 2HB MET 112 HB1 MET 112 120.354 2.112 -1.087 897 1HG MET 112 HG2 MET 112 121.270 0.181 -2.268 898 2HG MET 112 HG1 MET 112 122.806 1.039 -2.436 899 1HE MET 112 HE1 MET 112 122.093 -1.892 -1.039 900 2HE MET 112 HE2 MET 112 123.378 -1.844 0.176 901 3HE MET 112 HE3 MET 112 123.687 -1.280 -1.469 902 H GLU 113 HN GLU 113 121.833 1.790 -5.181 903 HA GLU 113 HA GLU 113 124.052 3.504 -5.398 904 1HB GLU 113 HB2 GLU 113 123.908 1.356 -6.635 905 2HB GLU 113 HB1 GLU 113 122.588 2.003 -7.600 906 1HG GLU 113 HG2 GLU 113 124.109 3.683 -8.538 907 2HG GLU 113 HG1 GLU 113 125.425 3.022 -7.575 908 H GLN 114 HN GLN 114 121.132 3.432 -7.394 909 HA GLN 114 HA GLN 114 121.670 5.971 -8.592 910 1HB GLN 114 HB2 GLN 114 119.573 5.651 -9.761 911 2HB GLN 114 HB1 GLN 114 120.512 4.166 -9.778 912 1HG GLN 114 HG2 GLN 114 119.131 3.326 -7.905 913 2HG GLN 114 HG1 GLN 114 118.141 4.779 -8.030 914 1HE2 GLN 114 HE21 GLN 114 117.412 2.000 -8.351 915 2HE2 GLN 114 HE22 GLN 114 116.734 1.840 -9.926 916 H ASP 115 HN ASP 115 120.857 5.530 -5.574 917 HA ASP 115 HA ASP 115 119.136 7.883 -5.497 918 1HB ASP 115 HB2 ASP 115 117.735 5.907 -5.090 919 2HB ASP 115 HB1 ASP 115 118.786 5.435 -3.764 920 H SER 116 HN SER 116 120.621 5.828 -2.961 921 HA SER 116 HA SER 116 121.252 8.081 -1.406 922 1HB SER 116 HB2 SER 116 122.271 5.256 -1.133 923 2HB SER 116 HB1 SER 116 122.178 6.483 0.133 924 HG SER 116 HG SER 116 120.037 6.284 0.232 925 H TYR 117 HN TYR 117 123.138 6.252 -3.804 926 HA TYR 117 HA TYR 117 125.703 6.866 -2.835 927 1HB TYR 117 HB2 TYR 117 125.414 5.025 -4.184 928 2HB TYR 117 HB1 TYR 117 124.539 5.954 -5.407 929 HD1 TYR 117 HD1 TYR 117 127.996 5.621 -3.951 930 HD2 TYR 117 HD2 TYR 117 125.571 6.441 -7.337 931 HE1 TYR 117 HE1 TYR 117 129.995 5.588 -5.413 932 HE2 TYR 117 HE2 TYR 117 127.548 6.420 -8.775 933 HH TYR 117 HH TYR 117 129.917 6.712 -8.617 934 H THR 118 HN THR 118 123.530 8.584 -4.862 935 HA THR 118 HA THR 118 125.424 10.412 -5.929 936 HB THR 118 HB THR 118 123.470 11.843 -6.523 937 HG1 THR 118 HG1 THR 118 121.433 10.225 -5.781 938 1HG2 THR 118 HG21 THR 118 124.053 9.955 -7.984 939 2HG2 THR 118 HG22 THR 118 122.309 10.217 -7.961 940 3HG2 THR 118 HG23 THR 118 123.014 8.894 -7.034 941 H ARG 119 HN ARG 119 123.069 10.801 -3.274 942 HA ARG 119 HA ARG 119 124.169 13.261 -2.405 943 1HB ARG 119 HB2 ARG 119 122.487 11.325 -0.793 944 2HB ARG 119 HB1 ARG 119 122.971 12.910 -0.228 945 1HG ARG 119 HG2 ARG 119 120.869 13.374 -0.944 946 2HG ARG 119 HG1 ARG 119 121.750 13.684 -2.437 947 1HD ARG 119 HD2 ARG 119 119.775 12.375 -2.898 948 2HD ARG 119 HD1 ARG 119 121.216 11.402 -3.189 949 HE ARG 119 HE ARG 119 120.580 10.799 -0.632 950 1HH1 ARG 119 HH11 ARG 119 118.502 10.907 -3.488 951 2HH1 ARG 119 HH12 ARG 119 117.657 9.466 -3.094 952 1HH2 ARG 119 HH21 ARG 119 119.417 8.865 -0.066 953 2HH2 ARG 119 HH22 ARG 119 118.202 8.267 -1.112 954 H PHE 120 HN PHE 120 124.922 9.948 -1.642 955 HA PHE 120 HA PHE 120 126.624 10.326 0.500 956 1HB PHE 120 HB2 PHE 120 126.186 8.070 -0.051 957 2HB PHE 120 HB1 PHE 120 126.656 8.299 -1.733 958 HD1 PHE 120 HD1 PHE 120 128.076 8.301 1.731 959 HD2 PHE 120 HD2 PHE 120 128.773 7.724 -2.427 960 HE1 PHE 120 HE1 PHE 120 130.385 7.517 2.205 961 HE2 PHE 120 HE2 PHE 120 131.044 6.948 -1.943 962 HZ PHE 120 HZ PHE 120 131.844 6.850 0.372 963 H LEU 121 HN LEU 121 127.398 10.409 -2.962 964 HA LEU 121 HA LEU 121 130.119 11.045 -2.618 965 1HB LEU 121 HB2 LEU 121 128.309 11.646 -4.945 966 2HB LEU 121 HB1 LEU 121 130.054 11.783 -4.968 967 HG LEU 121 HG LEU 121 128.483 9.234 -4.619 968 1HD1 LEU 121 HD11 LEU 121 130.127 10.276 -6.909 969 2HD1 LEU 121 HD12 LEU 121 128.374 10.164 -6.856 970 3HD1 LEU 121 HD13 LEU 121 129.352 8.689 -6.833 971 1HD2 LEU 121 HD21 LEU 121 130.603 9.161 -3.389 972 2HD2 LEU 121 HD22 LEU 121 131.460 9.703 -4.816 973 3HD2 LEU 121 HD23 LEU 121 130.671 8.123 -4.813 974 H LYS 122 HN LYS 122 127.299 12.977 -2.430 975 HA LYS 122 HA LYS 122 128.926 15.414 -2.593 976 1HB LYS 122 HB2 LYS 122 125.930 15.165 -2.422 977 2HB LYS 122 HB1 LYS 122 126.852 16.612 -2.806 978 1HG LYS 122 HG2 LYS 122 126.696 14.111 -4.484 979 2HG LYS 122 HG1 LYS 122 125.889 15.642 -4.812 980 1HD LYS 122 HD2 LYS 122 128.875 15.309 -4.613 981 2HD LYS 122 HD1 LYS 122 127.990 15.264 -6.146 982 1HE LYS 122 HE2 LYS 122 128.195 17.542 -4.188 983 2HE LYS 122 HE1 LYS 122 128.961 17.425 -5.775 984 1HZ LYS 122 HZ1 LYS 122 127.045 18.813 -5.906 985 2HZ LYS 122 HZ2 LYS 122 126.034 17.640 -5.235 986 3HZ LYS 122 HZ3 LYS 122 126.725 17.391 -6.771 987 H SER 123 HN SER 123 128.085 13.342 -0.152 988 HA SER 123 HA SER 123 127.222 15.263 1.800 989 1HB SER 123 HB2 SER 123 127.359 13.407 3.358 990 2HB SER 123 HB1 SER 123 126.567 12.869 1.875 991 HG SER 123 HG SER 123 128.452 11.844 1.252 992 H ASP 124 HN ASP 124 128.435 15.603 3.813 993 HA ASP 124 HA ASP 124 131.110 16.443 3.334 994 1HB ASP 124 HB2 ASP 124 131.256 17.029 5.693 995 2HB ASP 124 HB1 ASP 124 129.676 17.502 5.097 996 H ILE 125 HN ILE 125 129.704 13.530 4.220 997 HA ILE 125 HA ILE 125 131.807 12.164 5.460 998 HB ILE 125 HB ILE 125 129.376 11.364 3.909 999 1HG1 ILE 125 HG12 ILE 125 128.836 10.081 6.030 1000 2HG1 ILE 125 HG11 ILE 125 130.262 10.818 6.743 1001 1HG2 ILE 125 HG21 ILE 125 129.799 8.966 4.204 1002 2HG2 ILE 125 HG22 ILE 125 131.483 9.367 4.623 1003 3HG2 ILE 125 HG23 ILE 125 130.803 9.842 3.051 1004 1HD1 ILE 125 HD11 ILE 125 127.838 12.273 5.710 1005 2HD1 ILE 125 HD12 ILE 125 129.264 13.028 6.418 1006 3HD1 ILE 125 HD13 ILE 125 128.241 11.981 7.403 1007 H TYR 126 HN TYR 126 130.785 12.055 2.056 1008 HA TYR 126 HA TYR 126 133.135 10.697 1.241 1009 1HB TYR 126 HB2 TYR 126 131.041 10.528 -0.005 1010 2HB TYR 126 HB1 TYR 126 131.163 12.226 -0.444 1011 HD1 TYR 126 HD1 TYR 126 132.414 12.895 -2.287 1012 HD2 TYR 126 HD2 TYR 126 132.768 8.914 -0.868 1013 HE1 TYR 126 HE1 TYR 126 133.656 12.308 -4.291 1014 HE2 TYR 126 HE2 TYR 126 134.013 8.274 -2.851 1015 HH TYR 126 HH TYR 126 134.509 9.011 -5.014 1016 H LEU 127 HN LEU 127 132.244 14.099 1.269 1017 HA LEU 127 HA LEU 127 134.550 14.946 -0.094 1018 1HB LEU 127 HB2 LEU 127 132.585 16.368 1.661 1019 2HB LEU 127 HB1 LEU 127 134.072 17.179 1.227 1020 HG LEU 127 HG LEU 127 132.277 17.891 -0.226 1021 1HD1 LEU 127 HD11 LEU 127 133.281 17.438 -2.407 1022 2HD1 LEU 127 HD12 LEU 127 134.244 16.151 -1.683 1023 3HD1 LEU 127 HD13 LEU 127 134.486 17.823 -1.177 1024 1HD2 LEU 127 HD21 LEU 127 130.832 15.913 -0.145 1025 2HD2 LEU 127 HD22 LEU 127 132.002 15.003 -1.088 1026 3HD2 LEU 127 HD23 LEU 127 131.145 16.348 -1.820 1027 H ASP 128 HN ASP 128 134.086 13.968 3.179 1028 HA ASP 128 HA ASP 128 136.577 14.971 4.180 1029 1HB ASP 128 HB2 ASP 128 134.860 14.486 5.785 1030 2HB ASP 128 HB1 ASP 128 134.679 12.847 5.187 1031 H LEU 129 HN LEU 129 135.541 12.043 2.566 1032 HA LEU 129 HA LEU 129 137.946 10.553 2.944 1033 1HB LEU 129 HB2 LEU 129 136.371 10.253 0.351 1034 2HB LEU 129 HB1 LEU 129 137.264 9.124 1.284 1035 HG LEU 129 HG LEU 129 134.678 10.236 2.300 1036 1HD1 LEU 129 HD11 LEU 129 135.248 7.644 0.902 1037 2HD1 LEU 129 HD12 LEU 129 134.368 9.009 0.237 1038 3HD1 LEU 129 HD13 LEU 129 133.703 8.123 1.617 1039 1HD2 LEU 129 HD21 LEU 129 134.804 8.332 3.841 1040 2HD2 LEU 129 HD22 LEU 129 136.189 9.404 4.036 1041 3HD2 LEU 129 HD23 LEU 129 136.367 7.884 3.162 1042 H MET 130 HN MET 130 136.947 13.043 0.805 1043 HA MET 130 HA MET 130 139.294 12.919 -0.848 1044 1HB MET 130 HB2 MET 130 137.065 14.955 -0.716 1045 2HB MET 130 HB1 MET 130 138.437 15.093 -1.803 1046 1HG MET 130 HG2 MET 130 136.320 12.928 -1.831 1047 2HG MET 130 HG1 MET 130 136.590 14.232 -2.968 1048 1HE MET 130 HE1 MET 130 136.457 12.325 -4.752 1049 2HE MET 130 HE2 MET 130 136.392 11.123 -3.460 1050 3HE MET 130 HE3 MET 130 137.557 10.942 -4.770 1051 H GLU 131 HN GLU 131 138.162 15.927 0.413 1052 HA GLU 131 HA GLU 131 139.717 16.879 2.296 1053 1HB GLU 131 HB2 GLU 131 141.744 17.885 1.228 1054 2HB GLU 131 HB1 GLU 131 141.806 16.135 1.202 1055 1HG GLU 131 HG2 GLU 131 141.018 16.234 -1.171 1056 2HG GLU 131 HG1 GLU 131 141.206 17.985 -1.092 1057 H GLY 132 HN GLY 132 138.557 17.153 -0.886 1058 1HA GLY 132 HA2 GLY 132 136.607 18.875 -0.798 1059 2HA GLY 132 HA1 GLY 132 137.975 19.995 -0.704 1060 H ARG 133 HN ARG 133 139.788 18.988 -2.193 1061 HA ARG 133 HA ARG 133 138.840 19.214 -4.921 1062 1HB ARG 133 HB2 ARG 133 140.847 20.392 -4.036 1063 2HB ARG 133 HB1 ARG 133 141.601 18.837 -3.752 1064 1HG ARG 133 HG2 ARG 133 141.474 18.415 -6.205 1065 2HG ARG 133 HG1 ARG 133 140.895 20.072 -6.400 1066 1HD ARG 133 HD2 ARG 133 143.514 19.227 -5.175 1067 2HD ARG 133 HD1 ARG 133 143.299 19.947 -6.767 1068 HE ARG 133 HE ARG 133 142.489 21.953 -5.601 1069 1HH1 ARG 133 HH11 ARG 133 144.504 19.646 -3.819 1070 2HH1 ARG 133 HH12 ARG 133 145.170 20.785 -2.754 1071 1HH2 ARG 133 HH21 ARG 133 143.341 23.539 -4.084 1072 2HH2 ARG 133 HH22 ARG 133 144.449 23.059 -2.870 1073 HA PRO 134 HA PRO 134 139.040 14.709 -5.362 1074 1HB PRO 134 HB2 PRO 134 138.556 14.529 -8.004 1075 2HB PRO 134 HB1 PRO 134 137.285 14.981 -6.861 1076 1HG PRO 134 HG2 PRO 134 138.916 16.720 -8.665 1077 2HG PRO 134 HG1 PRO 134 137.187 16.807 -8.288 1078 1HD PRO 134 HD2 PRO 134 139.100 18.405 -7.127 1079 2HD PRO 134 HD1 PRO 134 137.543 18.005 -6.375 Start of MODEL 18 1 1H SER 1 HT1 SER 1 136.692 4.035 7.328 2 2H SER 1 HT2 SER 1 135.726 4.927 8.441 3 3H SER 1 HT3 SER 1 137.246 4.349 8.903 4 HA SER 1 HA SER 1 136.757 6.342 6.812 5 1HB SER 1 HB2 SER 1 137.826 6.641 9.627 6 2HB SER 1 HB1 SER 1 137.629 7.933 8.442 7 HG SER 1 HG SER 1 135.663 8.099 8.991 8 H MET 2 HN MET 2 138.577 3.713 7.299 9 HA MET 2 HA MET 2 141.142 5.055 7.164 10 1HB MET 2 HB2 MET 2 140.885 3.180 8.777 11 2HB MET 2 HB1 MET 2 140.538 2.101 7.435 12 1HG MET 2 HG2 MET 2 142.759 2.428 6.550 13 2HG MET 2 HG1 MET 2 143.113 3.612 7.807 14 1HE MET 2 HE1 MET 2 142.456 -0.172 6.983 15 2HE MET 2 HE2 MET 2 141.158 0.184 8.122 16 3HE MET 2 HE3 MET 2 142.467 -0.902 8.589 17 H VAL 3 HN VAL 3 140.810 5.899 5.185 18 HA VAL 3 HA VAL 3 141.514 4.183 3.011 19 HB VAL 3 HB VAL 3 139.132 3.979 2.798 20 1HG1 VAL 3 HG11 VAL 3 138.464 5.762 4.300 21 2HG1 VAL 3 HG12 VAL 3 137.597 5.863 2.772 22 3HG1 VAL 3 HG13 VAL 3 138.933 6.974 3.102 23 1HG2 VAL 3 HG21 VAL 3 139.882 6.231 0.928 24 2HG2 VAL 3 HG22 VAL 3 138.648 5.003 0.683 25 3HG2 VAL 3 HG23 VAL 3 140.353 4.546 0.701 26 H SER 4 HN SER 4 142.980 5.172 1.860 27 HA SER 4 HA SER 4 143.836 7.835 2.286 28 1HB SER 4 HB2 SER 4 145.314 6.040 1.442 29 2HB SER 4 HB1 SER 4 144.325 5.897 -0.005 30 HG SER 4 HG SER 4 145.979 7.099 -0.581 31 HA PRO 5 HA PRO 5 140.846 10.190 -0.014 32 1HB PRO 5 HB2 PRO 5 142.683 11.958 -1.217 33 2HB PRO 5 HB1 PRO 5 141.834 12.209 0.310 34 1HG PRO 5 HG2 PRO 5 144.600 11.237 -0.184 35 2HG PRO 5 HG1 PRO 5 143.967 12.202 1.159 36 1HD PRO 5 HD2 PRO 5 144.570 9.605 1.437 37 2HD PRO 5 HD1 PRO 5 143.194 10.333 2.291 38 H GLU 6 HN GLU 6 143.746 9.037 -1.596 39 HA GLU 6 HA GLU 6 142.800 9.352 -4.282 40 1HB GLU 6 HB2 GLU 6 144.883 7.435 -3.225 41 2HB GLU 6 HB1 GLU 6 144.617 7.823 -4.917 42 1HG GLU 6 HG2 GLU 6 145.247 10.151 -4.452 43 2HG GLU 6 HG1 GLU 6 145.567 9.702 -2.774 44 H GLU 7 HN GLU 7 142.746 6.754 -1.940 45 HA GLU 7 HA GLU 7 141.691 4.750 -3.663 46 1HB GLU 7 HB2 GLU 7 142.945 4.397 -1.480 47 2HB GLU 7 HB1 GLU 7 141.489 4.915 -0.642 48 1HG GLU 7 HG2 GLU 7 141.556 2.555 -0.602 49 2HG GLU 7 HG1 GLU 7 140.304 3.020 -1.757 50 H ALA 8 HN ALA 8 140.429 7.230 -1.598 51 HA ALA 8 HA ALA 8 137.713 6.415 -1.685 52 1HB ALA 8 HB1 ALA 8 138.903 9.077 -0.897 53 2HB ALA 8 HB2 ALA 8 138.628 7.706 0.171 54 3HB ALA 8 HB3 ALA 8 137.250 8.567 -0.531 55 H VAL 9 HN VAL 9 139.626 8.827 -3.582 56 HA VAL 9 HA VAL 9 137.397 9.781 -5.004 57 HB VAL 9 HB VAL 9 138.815 10.668 -6.748 58 1HG1 VAL 9 HG11 VAL 9 140.198 10.984 -4.120 59 2HG1 VAL 9 HG12 VAL 9 138.832 11.910 -4.720 60 3HG1 VAL 9 HG13 VAL 9 140.403 12.036 -5.525 61 1HG2 VAL 9 HG21 VAL 9 140.283 8.798 -7.194 62 2HG2 VAL 9 HG22 VAL 9 141.087 9.026 -5.642 63 3HG2 VAL 9 HG23 VAL 9 141.237 10.253 -6.901 64 H LYS 10 HN LYS 10 139.259 6.923 -5.404 65 HA LYS 10 HA LYS 10 138.373 6.131 -7.958 66 1HB LYS 10 HB2 LYS 10 138.952 4.293 -5.623 67 2HB LYS 10 HB1 LYS 10 138.994 3.872 -7.325 68 1HG LYS 10 HG2 LYS 10 140.867 5.748 -5.901 69 2HG LYS 10 HG1 LYS 10 141.223 4.105 -6.422 70 1HD LYS 10 HD2 LYS 10 141.012 4.748 -8.736 71 2HD LYS 10 HD1 LYS 10 140.480 6.369 -8.275 72 1HE LYS 10 HE2 LYS 10 142.645 6.765 -7.195 73 2HE LYS 10 HE1 LYS 10 143.171 5.150 -7.664 74 1HZ LYS 10 HZ1 LYS 10 143.976 6.930 -9.149 75 2HZ LYS 10 HZ2 LYS 10 142.365 7.253 -9.602 76 3HZ LYS 10 HZ3 LYS 10 143.058 5.751 -9.941 77 H TRP 11 HN TRP 11 136.790 6.096 -4.859 78 HA TRP 11 HA TRP 11 134.753 4.204 -5.444 79 1HB TRP 11 HB2 TRP 11 134.808 6.444 -3.425 80 2HB TRP 11 HB1 TRP 11 133.572 5.194 -3.500 81 HD1 TRP 11 HD1 TRP 11 136.335 3.163 -4.212 82 HE1 TRP 11 HE1 TRP 11 137.437 2.180 -2.157 83 HE3 TRP 11 HE3 TRP 11 134.351 6.302 -0.726 84 HZ2 TRP 11 HZ2 TRP 11 137.439 2.646 0.659 85 HZ3 TRP 11 HZ3 TRP 11 134.920 5.942 1.655 86 HH2 TRP 11 HH2 TRP 11 136.445 4.163 2.316 87 H GLY 12 HN GLY 12 135.230 7.445 -6.367 88 1HA GLY 12 HA2 GLY 12 132.433 8.075 -6.736 89 2HA GLY 12 HA1 GLY 12 133.805 9.082 -7.176 90 H GLU 13 HN GLU 13 134.680 6.283 -8.402 91 HA GLU 13 HA GLU 13 133.854 7.004 -11.063 92 1HB GLU 13 HB2 GLU 13 135.368 4.565 -10.159 93 2HB GLU 13 HB1 GLU 13 135.259 5.200 -11.790 94 1HG GLU 13 HG2 GLU 13 136.452 7.229 -11.007 95 2HG GLU 13 HG1 GLU 13 136.663 6.431 -9.446 96 H SER 14 HN SER 14 133.609 4.090 -9.050 97 HA SER 14 HA SER 14 131.082 3.458 -10.381 98 1HB SER 14 HB2 SER 14 133.320 1.477 -9.901 99 2HB SER 14 HB1 SER 14 131.775 1.156 -10.689 100 HG SER 14 HG SER 14 134.068 2.280 -11.668 101 H PHE 15 HN PHE 15 129.557 2.743 -8.988 102 HA PHE 15 HA PHE 15 129.932 2.949 -6.219 103 1HB PHE 15 HB2 PHE 15 127.759 3.305 -7.269 104 2HB PHE 15 HB1 PHE 15 127.706 1.632 -7.786 105 HD1 PHE 15 HD1 PHE 15 128.530 3.131 -4.441 106 HD2 PHE 15 HD2 PHE 15 125.924 0.682 -6.730 107 HE1 PHE 15 HE1 PHE 15 127.237 2.550 -2.380 108 HE2 PHE 15 HE2 PHE 15 124.671 0.128 -4.699 109 HZ PHE 15 HZ PHE 15 125.318 1.073 -2.550 110 H ASP 16 HN ASP 16 130.137 0.219 -8.392 111 HA ASP 16 HA ASP 16 130.108 -1.773 -6.378 112 1HB ASP 16 HB2 ASP 16 130.965 -3.346 -7.988 113 2HB ASP 16 HB1 ASP 16 129.827 -2.298 -8.816 114 H LYS 17 HN LYS 17 132.627 0.281 -7.581 115 HA LYS 17 HA LYS 17 134.807 -1.133 -6.408 116 1HB LYS 17 HB2 LYS 17 135.238 0.395 -8.246 117 2HB LYS 17 HB1 LYS 17 134.536 1.725 -7.327 118 1HG LYS 17 HG2 LYS 17 136.249 1.750 -5.816 119 2HG LYS 17 HG1 LYS 17 136.988 0.257 -6.418 120 1HD LYS 17 HD2 LYS 17 136.791 2.938 -7.805 121 2HD LYS 17 HD1 LYS 17 138.251 2.200 -7.163 122 1HE LYS 17 HE2 LYS 17 137.986 0.363 -8.807 123 2HE LYS 17 HE1 LYS 17 136.599 1.215 -9.487 124 1HZ LYS 17 HZ1 LYS 17 138.154 3.135 -9.917 125 2HZ LYS 17 HZ2 LYS 17 138.511 1.756 -10.786 126 3HZ LYS 17 HZ3 LYS 17 139.418 2.134 -9.427 127 H LEU 18 HN LEU 18 132.763 1.477 -5.468 128 HA LEU 18 HA LEU 18 133.916 2.176 -2.994 129 1HB LEU 18 HB2 LEU 18 132.411 3.642 -4.010 130 2HB LEU 18 HB1 LEU 18 131.220 2.386 -4.259 131 HG LEU 18 HG LEU 18 130.794 2.366 -1.812 132 1HD1 LEU 18 HD11 LEU 18 131.573 4.248 -0.487 133 2HD1 LEU 18 HD12 LEU 18 132.564 4.797 -1.841 134 3HD1 LEU 18 HD13 LEU 18 132.921 3.262 -1.047 135 1HD2 LEU 18 HD21 LEU 18 130.525 4.960 -3.225 136 2HD2 LEU 18 HD22 LEU 18 129.564 4.440 -1.818 137 3HD2 LEU 18 HD23 LEU 18 129.447 3.575 -3.367 138 H LEU 19 HN LEU 19 131.300 0.068 -3.926 139 HA LEU 19 HA LEU 19 130.475 -0.629 -1.338 140 1HB LEU 19 HB2 LEU 19 129.301 -0.561 -3.627 141 2HB LEU 19 HB1 LEU 19 129.894 -2.200 -3.784 142 HG LEU 19 HG LEU 19 128.671 -2.839 -1.778 143 1HD1 LEU 19 HD11 LEU 19 127.665 0.019 -1.851 144 2HD1 LEU 19 HD12 LEU 19 128.816 -0.600 -0.687 145 3HD1 LEU 19 HD13 LEU 19 127.165 -1.224 -0.694 146 1HD2 LEU 19 HD21 LEU 19 126.442 -2.603 -2.764 147 2HD2 LEU 19 HD22 LEU 19 127.653 -3.004 -3.988 148 3HD2 LEU 19 HD23 LEU 19 127.061 -1.351 -3.842 149 H SER 20 HN SER 20 132.637 -2.169 -3.668 150 HA SER 20 HA SER 20 132.826 -4.613 -2.174 151 1HB SER 20 HB2 SER 20 134.586 -3.567 -4.408 152 2HB SER 20 HB1 SER 20 134.569 -5.221 -3.794 153 HG SER 20 HG SER 20 132.627 -3.830 -5.267 154 H HIS 21 HN HIS 21 133.897 -1.626 -1.504 155 HA HIS 21 HA HIS 21 136.414 -2.516 -0.270 156 1HB HIS 21 HB2 HIS 21 135.884 -0.237 -1.768 157 2HB HIS 21 HB1 HIS 21 135.597 0.309 -0.138 158 HD1 HIS 21 HD1 HIS 21 137.639 0.749 1.360 159 HD2 HIS 21 HD2 HIS 21 138.574 -1.035 -2.270 160 HE1 HIS 21 HE1 HIS 21 140.097 0.950 1.136 161 HE2 HIS 21 HE2 HIS 21 140.664 -0.404 -0.897 162 H ARG 22 HN ARG 22 136.053 -3.086 1.814 163 HA ARG 22 HA ARG 22 133.632 -2.855 3.147 164 1HB ARG 22 HB2 ARG 22 136.378 -3.122 4.335 165 2HB ARG 22 HB1 ARG 22 134.884 -3.313 5.237 166 1HG ARG 22 HG2 ARG 22 134.269 -5.186 3.781 167 2HG ARG 22 HG1 ARG 22 135.807 -5.001 2.928 168 1HD ARG 22 HD2 ARG 22 137.004 -5.381 5.028 169 2HD ARG 22 HD1 ARG 22 135.465 -5.593 5.856 170 HE ARG 22 HE ARG 22 135.375 -7.388 3.840 171 1HH1 ARG 22 HH11 ARG 22 137.657 -6.778 6.523 172 2HH1 ARG 22 HH12 ARG 22 138.159 -8.396 6.645 173 1HH2 ARG 22 HH21 ARG 22 136.089 -9.624 4.024 174 2HH2 ARG 22 HH22 ARG 22 137.268 -10.038 5.181 175 H ASP 23 HN ASP 23 136.367 -0.610 3.434 176 HA ASP 23 HA ASP 23 135.036 0.983 5.408 177 1HB ASP 23 HB2 ASP 23 137.588 0.868 4.814 178 2HB ASP 23 HB1 ASP 23 137.186 2.094 3.618 179 H GLY 24 HN GLY 24 134.758 0.739 1.999 180 1HA GLY 24 HA2 GLY 24 133.661 3.404 1.630 181 2HA GLY 24 HA1 GLY 24 133.808 2.158 0.401 182 H LEU 25 HN LEU 25 132.625 0.073 1.598 183 HA LEU 25 HA LEU 25 129.891 0.423 1.400 184 1HB LEU 25 HB2 LEU 25 130.444 -1.787 1.276 185 2HB LEU 25 HB1 LEU 25 131.763 -1.628 2.403 186 HG LEU 25 HG LEU 25 128.949 -1.662 3.478 187 1HD1 LEU 25 HD11 LEU 25 129.121 -3.546 1.876 188 2HD1 LEU 25 HD12 LEU 25 129.071 -4.106 3.545 189 3HD1 LEU 25 HD13 LEU 25 130.605 -4.067 2.675 190 1HD2 LEU 25 HD21 LEU 25 131.603 -2.746 4.434 191 2HD2 LEU 25 HD22 LEU 25 130.104 -2.772 5.364 192 3HD2 LEU 25 HD23 LEU 25 130.904 -1.238 5.010 193 H GLU 26 HN GLU 26 132.050 0.622 4.101 194 HA GLU 26 HA GLU 26 130.152 1.185 6.069 195 1HB GLU 26 HB2 GLU 26 132.255 0.277 6.539 196 2HB GLU 26 HB1 GLU 26 133.116 1.648 5.865 197 1HG GLU 26 HG2 GLU 26 133.201 1.717 8.301 198 2HG GLU 26 HG1 GLU 26 132.285 3.082 7.675 199 H ALA 27 HN ALA 27 132.085 3.320 3.912 200 HA ALA 27 HA ALA 27 131.185 5.731 5.120 201 1HB ALA 27 HB1 ALA 27 133.109 5.887 3.540 202 2HB ALA 27 HB2 ALA 27 131.748 6.812 2.903 203 3HB ALA 27 HB3 ALA 27 132.098 5.225 2.261 204 H PHE 28 HN PHE 28 129.912 3.718 2.537 205 HA PHE 28 HA PHE 28 127.795 5.436 1.835 206 1HB PHE 28 HB2 PHE 28 128.687 3.696 0.315 207 2HB PHE 28 HB1 PHE 28 128.008 2.456 1.364 208 HD1 PHE 28 HD1 PHE 28 127.137 5.307 -0.821 209 HD2 PHE 28 HD2 PHE 28 125.751 1.805 1.152 210 HE1 PHE 28 HE1 PHE 28 125.023 5.450 -2.059 211 HE2 PHE 28 HE2 PHE 28 123.635 1.942 -0.083 212 HZ PHE 28 HZ PHE 28 123.269 3.772 -1.693 213 H THR 29 HN THR 29 127.924 2.563 3.980 214 HA THR 29 HA THR 29 125.176 2.622 4.556 215 HB THR 29 HB THR 29 126.553 0.608 5.141 216 HG1 THR 29 HG1 THR 29 125.179 0.114 6.730 217 1HG2 THR 29 HG21 THR 29 127.873 0.581 7.208 218 2HG2 THR 29 HG22 THR 29 127.577 2.308 7.418 219 3HG2 THR 29 HG23 THR 29 128.534 1.738 6.051 220 H ARG 30 HN ARG 30 127.818 4.392 5.866 221 HA ARG 30 HA ARG 30 126.493 5.459 8.133 222 1HB ARG 30 HB2 ARG 30 128.762 6.616 6.515 223 2HB ARG 30 HB1 ARG 30 128.170 7.342 8.006 224 1HG ARG 30 HG2 ARG 30 128.730 5.358 9.243 225 2HG ARG 30 HG1 ARG 30 129.212 4.542 7.763 226 1HD ARG 30 HD2 ARG 30 131.013 6.145 7.447 227 2HD ARG 30 HD1 ARG 30 130.529 6.989 8.924 228 HE ARG 30 HE ARG 30 130.924 4.270 9.478 229 1HH1 ARG 30 HH11 ARG 30 132.954 6.952 8.419 230 2HH1 ARG 30 HH12 ARG 30 134.240 6.591 9.451 231 1HH2 ARG 30 HH21 ARG 30 132.698 3.726 10.902 232 2HH2 ARG 30 HH22 ARG 30 134.125 4.663 10.843 233 H PHE 31 HN PHE 31 126.713 6.648 4.838 234 HA PHE 31 HA PHE 31 125.018 8.887 5.350 235 1HB PHE 31 HB2 PHE 31 126.527 8.985 3.470 236 2HB PHE 31 HB1 PHE 31 125.824 7.531 2.771 237 HD1 PHE 31 HD1 PHE 31 124.320 7.787 1.077 238 HD2 PHE 31 HD2 PHE 31 124.760 10.912 3.926 239 HE1 PHE 31 HE1 PHE 31 122.732 9.146 -0.170 240 HE2 PHE 31 HE2 PHE 31 123.150 12.281 2.680 241 HZ PHE 31 HZ PHE 31 122.127 11.399 0.633 242 H LEU 32 HN LEU 32 124.525 5.621 4.318 243 HA LEU 32 HA LEU 32 121.843 5.870 3.517 244 1HB LEU 32 HB2 LEU 32 123.585 4.003 3.135 245 2HB LEU 32 HB1 LEU 32 123.086 3.430 4.704 246 HG LEU 32 HG LEU 32 120.838 3.062 3.890 247 1HD1 LEU 32 HD11 LEU 32 120.751 4.871 2.213 248 2HD1 LEU 32 HD12 LEU 32 120.351 3.297 1.513 249 3HD1 LEU 32 HD13 LEU 32 121.942 4.003 1.238 250 1HD2 LEU 32 HD21 LEU 32 121.384 1.278 2.365 251 2HD2 LEU 32 HD22 LEU 32 122.501 1.343 3.726 252 3HD2 LEU 32 HD23 LEU 32 122.998 1.949 2.147 253 H LYS 33 HN LYS 33 123.387 5.279 6.599 254 HA LYS 33 HA LYS 33 121.044 4.768 8.095 255 1HB LYS 33 HB2 LYS 33 123.791 5.678 8.961 256 2HB LYS 33 HB1 LYS 33 122.504 5.259 10.091 257 1HG LYS 33 HG2 LYS 33 122.419 3.024 9.245 258 2HG LYS 33 HG1 LYS 33 123.570 3.421 7.979 259 1HD LYS 33 HD2 LYS 33 125.292 3.788 9.674 260 2HD LYS 33 HD1 LYS 33 124.118 3.395 10.943 261 1HE LYS 33 HE2 LYS 33 123.816 1.178 10.029 262 2HE LYS 33 HE1 LYS 33 124.884 1.555 8.684 263 1HZ LYS 33 HZ1 LYS 33 125.700 1.412 11.542 264 2HZ LYS 33 HZ2 LYS 33 126.708 1.759 10.223 265 3HZ LYS 33 HZ3 LYS 33 125.988 0.248 10.338 266 H THR 34 HN THR 34 122.724 7.774 7.277 267 HA THR 34 HA THR 34 121.102 9.252 9.076 268 HB THR 34 HB THR 34 123.321 10.180 8.415 269 HG1 THR 34 HG1 THR 34 122.056 11.778 9.128 270 1HG2 THR 34 HG21 THR 34 123.370 9.545 6.072 271 2HG2 THR 34 HG22 THR 34 123.601 11.287 6.237 272 3HG2 THR 34 HG23 THR 34 122.037 10.641 5.730 273 H GLU 35 HN GLU 35 120.618 8.119 5.817 274 HA GLU 35 HA GLU 35 118.175 9.705 5.710 275 1HB GLU 35 HB2 GLU 35 117.844 8.943 3.407 276 2HB GLU 35 HB1 GLU 35 119.455 9.610 3.619 277 1HG GLU 35 HG2 GLU 35 120.477 7.535 3.414 278 2HG GLU 35 HG1 GLU 35 118.986 6.659 3.762 279 H PHE 36 HN PHE 36 119.018 6.994 7.115 280 HA PHE 36 HA PHE 36 117.878 5.418 8.270 281 1HB PHE 36 HB2 PHE 36 116.144 7.475 8.197 282 2HB PHE 36 HB1 PHE 36 115.206 6.307 7.281 283 HD1 PHE 36 HD1 PHE 36 114.362 4.280 8.378 284 HD2 PHE 36 HD2 PHE 36 116.567 7.229 10.461 285 HE1 PHE 36 HE1 PHE 36 113.589 3.316 10.512 286 HE2 PHE 36 HE2 PHE 36 115.810 6.279 12.630 287 HZ PHE 36 HZ PHE 36 114.318 4.318 12.645 288 H SER 37 HN SER 37 118.662 5.040 5.453 289 HA SER 37 HA SER 37 116.681 3.031 4.623 290 1HB SER 37 HB2 SER 37 118.708 4.512 2.940 291 2HB SER 37 HB1 SER 37 117.482 3.388 2.350 292 HG SER 37 HG SER 37 117.221 5.867 2.476 293 H GLU 38 HN GLU 38 119.122 2.888 6.484 294 HA GLU 38 HA GLU 38 121.251 1.484 5.276 295 1HB GLU 38 HB2 GLU 38 121.904 0.830 7.529 296 2HB GLU 38 HB1 GLU 38 121.411 2.516 7.487 297 1HG GLU 38 HG2 GLU 38 119.224 1.884 8.402 298 2HG GLU 38 HG1 GLU 38 119.758 0.207 8.480 299 H GLU 39 HN GLU 39 118.163 0.545 5.884 300 HA GLU 39 HA GLU 39 117.981 -2.096 6.578 301 1HB GLU 39 HB2 GLU 39 116.441 -0.841 4.312 302 2HB GLU 39 HB1 GLU 39 115.901 -2.076 5.433 303 1HG GLU 39 HG2 GLU 39 116.542 0.735 6.288 304 2HG GLU 39 HG1 GLU 39 114.952 0.250 5.723 305 H ASN 40 HN ASN 40 118.795 -0.634 3.436 306 HA ASN 40 HA ASN 40 118.715 -3.205 2.138 307 1HB ASN 40 HB2 ASN 40 118.871 -2.004 -0.002 308 2HB ASN 40 HB1 ASN 40 117.678 -1.307 1.084 309 1HD2 ASN 40 HD21 ASN 40 117.630 0.621 -0.062 310 2HD2 ASN 40 HD22 ASN 40 118.887 1.767 0.068 311 H ILE 41 HN ILE 41 121.213 -1.042 3.101 312 HA ILE 41 HA ILE 41 123.348 -2.297 1.671 313 HB ILE 41 HB ILE 41 123.478 0.002 2.836 314 1HG1 ILE 41 HG12 ILE 41 125.856 -0.121 3.459 315 2HG1 ILE 41 HG11 ILE 41 125.767 -1.896 3.328 316 1HG2 ILE 41 HG21 ILE 41 122.669 -0.542 5.029 317 2HG2 ILE 41 HG22 ILE 41 124.324 0.083 5.120 318 3HG2 ILE 41 HG23 ILE 41 124.022 -1.637 5.285 319 1HD1 ILE 41 HD11 ILE 41 125.349 0.222 1.268 320 2HD1 ILE 41 HD12 ILE 41 125.217 -1.518 0.939 321 3HD1 ILE 41 HD13 ILE 41 126.773 -0.799 1.404 322 H GLU 42 HN GLU 42 122.081 -2.717 4.916 323 HA GLU 42 HA GLU 42 123.750 -4.919 5.549 324 1HB GLU 42 HB2 GLU 42 121.614 -3.358 6.849 325 2HB GLU 42 HB1 GLU 42 121.811 -5.010 7.399 326 1HG GLU 42 HG2 GLU 42 122.954 -3.156 8.608 327 2HG GLU 42 HG1 GLU 42 124.019 -4.567 8.237 328 H PHE 43 HN PHE 43 120.739 -4.477 3.973 329 HA PHE 43 HA PHE 43 119.478 -6.922 4.147 330 1HB PHE 43 HB2 PHE 43 118.436 -5.152 2.931 331 2HB PHE 43 HB1 PHE 43 119.802 -4.999 1.845 332 HD1 PHE 43 HD1 PHE 43 116.742 -6.734 2.583 333 HD2 PHE 43 HD2 PHE 43 120.098 -6.614 0.002 334 HE1 PHE 43 HE1 PHE 43 115.550 -8.107 0.983 335 HE2 PHE 43 HE2 PHE 43 118.921 -8.018 -1.625 336 HZ PHE 43 HZ PHE 43 116.635 -8.772 -1.142 337 H TRP 44 HN TRP 44 121.844 -5.962 1.618 338 HA TRP 44 HA TRP 44 122.031 -8.765 1.211 339 1HB TRP 44 HB2 TRP 44 123.689 -8.351 -0.662 340 2HB TRP 44 HB1 TRP 44 122.033 -7.845 -0.883 341 HD1 TRP 44 HD1 TRP 44 121.923 -5.719 -2.163 342 HE1 TRP 44 HE1 TRP 44 123.337 -3.634 -2.414 343 HE3 TRP 44 HE3 TRP 44 125.614 -6.894 1.157 344 HZ2 TRP 44 HZ2 TRP 44 125.714 -2.570 -1.251 345 HZ3 TRP 44 HZ3 TRP 44 127.419 -5.282 1.531 346 HH2 TRP 44 HH2 TRP 44 127.466 -3.169 0.347 347 H ILE 45 HN ILE 45 123.780 -6.711 3.120 348 HA ILE 45 HA ILE 45 126.048 -8.344 3.327 349 HB ILE 45 HB ILE 45 124.714 -6.456 5.263 350 1HG1 ILE 45 HG12 ILE 45 127.383 -6.508 3.860 351 2HG1 ILE 45 HG11 ILE 45 125.989 -5.533 3.431 352 1HG2 ILE 45 HG21 ILE 45 127.191 -8.055 5.938 353 2HG2 ILE 45 HG22 ILE 45 125.589 -8.310 6.625 354 3HG2 ILE 45 HG23 ILE 45 126.437 -6.790 6.927 355 1HD1 ILE 45 HD11 ILE 45 127.710 -4.245 4.550 356 2HD1 ILE 45 HD12 ILE 45 127.576 -5.293 5.969 357 3HD1 ILE 45 HD13 ILE 45 126.214 -4.280 5.478 358 H ALA 46 HN ALA 46 122.855 -8.582 4.749 359 HA ALA 46 HA ALA 46 123.297 -10.901 6.285 360 1HB ALA 46 HB1 ALA 46 120.801 -11.269 5.893 361 2HB ALA 46 HB2 ALA 46 120.827 -9.753 4.990 362 3HB ALA 46 HB3 ALA 46 121.257 -9.768 6.706 363 H CYS 47 HN CYS 47 122.539 -10.298 2.932 364 HA CYS 47 HA CYS 47 121.974 -12.980 2.255 365 1HB CYS 47 HB2 CYS 47 122.754 -10.686 0.467 366 2HB CYS 47 HB1 CYS 47 122.024 -12.201 -0.054 367 HG CYS 47 HG CYS 47 120.509 -9.886 1.980 368 H GLU 48 HN GLU 48 124.988 -11.102 2.218 369 HA GLU 48 HA GLU 48 126.495 -13.214 1.002 370 1HB GLU 48 HB2 GLU 48 127.636 -11.126 2.916 371 2HB GLU 48 HB1 GLU 48 128.438 -12.200 1.755 372 1HG GLU 48 HG2 GLU 48 126.525 -10.116 0.835 373 2HG GLU 48 HG1 GLU 48 128.235 -9.775 1.103 374 H ASP 49 HN ASP 49 125.522 -12.402 4.241 375 HA ASP 49 HA ASP 49 127.017 -14.390 5.654 376 1HB ASP 49 HB2 ASP 49 126.040 -12.482 6.831 377 2HB ASP 49 HB1 ASP 49 124.423 -12.979 6.344 378 H PHE 50 HN PHE 50 124.104 -14.333 3.884 379 HA PHE 50 HA PHE 50 123.057 -16.843 4.638 380 1HB PHE 50 HB2 PHE 50 121.624 -15.190 3.625 381 2HB PHE 50 HB1 PHE 50 122.664 -15.079 2.213 382 HD1 PHE 50 HD1 PHE 50 122.144 -16.277 0.339 383 HD2 PHE 50 HD2 PHE 50 120.595 -17.454 4.094 384 HE1 PHE 50 HE1 PHE 50 120.799 -18.004 -0.770 385 HE2 PHE 50 HE2 PHE 50 119.248 -19.191 3.003 386 HZ PHE 50 HZ PHE 50 119.347 -19.469 0.580 387 H LYS 51 HN LYS 51 125.083 -15.725 1.967 388 HA LYS 51 HA LYS 51 125.501 -18.194 0.647 389 1HB LYS 51 HB2 LYS 51 127.324 -15.794 0.826 390 2HB LYS 51 HB1 LYS 51 127.459 -17.090 -0.347 391 1HG LYS 51 HG2 LYS 51 125.387 -16.452 -1.366 392 2HG LYS 51 HG1 LYS 51 125.104 -15.242 -0.107 393 1HD LYS 51 HD2 LYS 51 127.106 -14.036 -0.801 394 2HD LYS 51 HD1 LYS 51 127.412 -15.257 -2.040 395 1HE LYS 51 HE2 LYS 51 125.322 -14.682 -3.136 396 2HE LYS 51 HE1 LYS 51 124.981 -13.486 -1.883 397 1HZ LYS 51 HZ1 LYS 51 127.317 -13.411 -3.719 398 2HZ LYS 51 HZ2 LYS 51 126.884 -12.254 -2.543 399 3HZ LYS 51 HZ3 LYS 51 125.915 -12.482 -3.891 400 H LYS 52 HN LYS 52 126.773 -16.830 3.493 401 HA LYS 52 HA LYS 52 129.244 -18.152 3.771 402 1HB LYS 52 HB2 LYS 52 128.464 -16.167 5.076 403 2HB LYS 52 HB1 LYS 52 127.378 -17.241 5.968 404 1HG LYS 52 HG2 LYS 52 129.323 -18.470 6.794 405 2HG LYS 52 HG1 LYS 52 130.382 -17.363 5.924 406 1HD LYS 52 HD2 LYS 52 130.425 -16.397 8.011 407 2HD LYS 52 HD1 LYS 52 129.059 -15.549 7.287 408 1HE LYS 52 HE2 LYS 52 128.767 -18.003 9.025 409 2HE LYS 52 HE1 LYS 52 128.734 -16.367 9.656 410 1HZ LYS 52 HZ1 LYS 52 126.754 -15.942 8.309 411 2HZ LYS 52 HZ2 LYS 52 126.552 -17.195 9.383 412 3HZ LYS 52 HZ3 LYS 52 126.725 -17.563 7.769 413 H SER 53 HN SER 53 125.997 -19.201 4.216 414 HA SER 53 HA SER 53 126.321 -21.223 6.122 415 1HB SER 53 HB2 SER 53 124.318 -21.126 3.876 416 2HB SER 53 HB1 SER 53 124.146 -21.938 5.438 417 HG SER 53 HG SER 53 123.844 -19.327 4.737 418 H LYS 54 HN LYS 54 126.953 -23.267 5.994 419 HA LYS 54 HA LYS 54 127.921 -24.207 3.397 420 1HB LYS 54 HB2 LYS 54 129.595 -25.554 4.759 421 2HB LYS 54 HB1 LYS 54 129.838 -23.821 4.703 422 1HG LYS 54 HG2 LYS 54 130.322 -24.537 6.913 423 2HG LYS 54 HG1 LYS 54 128.789 -23.688 6.977 424 1HD LYS 54 HD2 LYS 54 128.565 -25.572 8.396 425 2HD LYS 54 HD1 LYS 54 127.671 -25.963 6.937 426 1HE LYS 54 HE2 LYS 54 130.487 -26.913 7.525 427 2HE LYS 54 HE1 LYS 54 129.043 -27.850 7.873 428 1HZ LYS 54 HZ1 LYS 54 129.867 -28.636 5.821 429 2HZ LYS 54 HZ2 LYS 54 130.161 -27.114 5.217 430 3HZ LYS 54 HZ3 LYS 54 128.578 -27.647 5.383 431 H GLY 55 HN GLY 55 125.315 -24.585 4.896 432 1HA GLY 55 HA2 GLY 55 125.196 -27.443 4.383 433 2HA GLY 55 HA1 GLY 55 124.643 -26.852 5.950 434 HA PRO 56 HA PRO 56 121.661 -25.975 2.238 435 1HB PRO 56 HB2 PRO 56 120.309 -28.351 1.962 436 2HB PRO 56 HB1 PRO 56 121.672 -27.840 0.953 437 1HG PRO 56 HG2 PRO 56 121.648 -29.681 3.308 438 2HG PRO 56 HG1 PRO 56 122.525 -29.836 1.775 439 1HD PRO 56 HD2 PRO 56 123.723 -28.987 4.032 440 2HD PRO 56 HD1 PRO 56 124.182 -28.369 2.432 441 H GLN 57 HN GLN 57 121.277 -27.872 5.168 442 HA GLN 57 HA GLN 57 118.495 -27.314 5.569 443 1HB GLN 57 HB2 GLN 57 120.595 -27.853 7.689 444 2HB GLN 57 HB1 GLN 57 118.857 -27.910 7.924 445 1HG GLN 57 HG2 GLN 57 118.719 -29.789 6.371 446 2HG GLN 57 HG1 GLN 57 120.469 -29.731 6.162 447 1HE2 GLN 57 HE21 GLN 57 120.825 -31.744 6.956 448 2HE2 GLN 57 HE22 GLN 57 120.612 -32.170 8.622 449 H GLN 58 HN GLN 58 121.476 -25.847 6.676 450 HA GLN 58 HA GLN 58 120.489 -23.761 8.223 451 1HB GLN 58 HB2 GLN 58 122.848 -24.459 8.161 452 2HB GLN 58 HB1 GLN 58 122.985 -23.878 6.514 453 1HG GLN 58 HG2 GLN 58 124.029 -22.333 8.032 454 2HG GLN 58 HG1 GLN 58 122.614 -21.587 7.303 455 1HE2 GLN 58 HE21 GLN 58 122.447 -23.914 9.953 456 2HE2 GLN 58 HE22 GLN 58 121.883 -22.776 11.112 457 H ILE 59 HN ILE 59 120.995 -24.019 4.759 458 HA ILE 59 HA ILE 59 120.612 -21.408 3.871 459 HB ILE 59 HB ILE 59 119.513 -23.888 2.541 460 1HG1 ILE 59 HG12 ILE 59 121.852 -24.253 2.951 461 2HG1 ILE 59 HG11 ILE 59 121.635 -23.901 1.243 462 1HG2 ILE 59 HG21 ILE 59 120.259 -21.229 1.354 463 2HG2 ILE 59 HG22 ILE 59 118.636 -21.824 1.629 464 3HG2 ILE 59 HG23 ILE 59 119.684 -22.640 0.458 465 1HD1 ILE 59 HD11 ILE 59 123.604 -22.857 2.172 466 2HD1 ILE 59 HD12 ILE 59 122.608 -21.990 3.336 467 3HD1 ILE 59 HD13 ILE 59 122.451 -21.644 1.605 468 H HIS 60 HN HIS 60 118.223 -23.872 4.532 469 HA HIS 60 HA HIS 60 115.917 -22.523 3.664 470 1HB HIS 60 HB2 HIS 60 116.190 -24.595 5.839 471 2HB HIS 60 HB1 HIS 60 114.643 -23.986 5.287 472 HD1 HIS 60 HD1 HIS 60 113.758 -24.849 3.048 473 HD2 HIS 60 HD2 HIS 60 117.513 -26.287 4.008 474 HE1 HIS 60 HE1 HIS 60 114.199 -26.713 1.409 475 HE2 HIS 60 HE2 HIS 60 116.627 -27.261 1.807 476 H LEU 61 HN LEU 61 117.134 -22.796 6.956 477 HA LEU 61 HA LEU 61 115.182 -21.039 8.011 478 1HB LEU 61 HB2 LEU 61 116.467 -21.237 10.101 479 2HB LEU 61 HB1 LEU 61 116.086 -22.771 9.343 480 HG LEU 61 HG LEU 61 118.554 -22.259 8.347 481 1HD1 LEU 61 HD11 LEU 61 119.983 -21.634 10.213 482 2HD1 LEU 61 HD12 LEU 61 118.554 -21.286 11.187 483 3HD1 LEU 61 HD13 LEU 61 118.891 -20.332 9.742 484 1HD2 LEU 61 HD21 LEU 61 117.762 -24.363 9.149 485 2HD2 LEU 61 HD22 LEU 61 117.808 -23.802 10.826 486 3HD2 LEU 61 HD23 LEU 61 119.310 -23.995 9.910 487 H LYS 62 HN LYS 62 118.441 -20.582 6.894 488 HA LYS 62 HA LYS 62 118.806 -17.910 7.760 489 1HB LYS 62 HB2 LYS 62 120.049 -19.590 5.622 490 2HB LYS 62 HB1 LYS 62 120.344 -17.862 5.621 491 1HG LYS 62 HG2 LYS 62 120.890 -19.640 7.978 492 2HG LYS 62 HG1 LYS 62 122.085 -19.250 6.737 493 1HD LYS 62 HD2 LYS 62 121.827 -16.875 7.224 494 2HD LYS 62 HD1 LYS 62 120.617 -17.253 8.450 495 1HE LYS 62 HE2 LYS 62 122.288 -18.475 9.732 496 2HE LYS 62 HE1 LYS 62 123.496 -18.143 8.491 497 1HZ LYS 62 HZ1 LYS 62 123.524 -16.639 10.483 498 2HZ LYS 62 HZ2 LYS 62 122.056 -15.991 9.913 499 3HZ LYS 62 HZ3 LYS 62 123.449 -15.853 8.989 500 H ALA 63 HN ALA 63 117.716 -19.238 4.662 501 HA ALA 63 HA ALA 63 117.278 -16.783 3.407 502 1HB ALA 63 HB1 ALA 63 117.434 -18.946 2.173 503 2HB ALA 63 HB2 ALA 63 116.001 -18.036 1.745 504 3HB ALA 63 HB3 ALA 63 115.875 -19.402 2.858 505 H LYS 64 HN LYS 64 115.073 -18.943 5.082 506 HA LYS 64 HA LYS 64 112.748 -17.446 4.703 507 1HB LYS 64 HB2 LYS 64 112.965 -19.830 5.521 508 2HB LYS 64 HB1 LYS 64 113.344 -19.171 7.102 509 1HG LYS 64 HG2 LYS 64 111.026 -19.848 6.978 510 2HG LYS 64 HG1 LYS 64 111.149 -18.101 7.180 511 1HD LYS 64 HD2 LYS 64 110.657 -17.727 4.867 512 2HD LYS 64 HD1 LYS 64 110.785 -19.449 4.504 513 1HE LYS 64 HE2 LYS 64 108.467 -18.770 4.602 514 2HE LYS 64 HE1 LYS 64 108.838 -19.893 5.906 515 1HZ LYS 64 HZ1 LYS 64 107.572 -18.249 6.888 516 2HZ LYS 64 HZ2 LYS 64 108.233 -17.017 6.032 517 3HZ LYS 64 HZ3 LYS 64 109.133 -17.718 7.300 518 H ALA 65 HN ALA 65 115.309 -17.126 7.069 519 HA ALA 65 HA ALA 65 113.965 -15.344 8.836 520 1HB ALA 65 HB1 ALA 65 116.927 -15.697 8.390 521 2HB ALA 65 HB2 ALA 65 115.940 -16.612 9.530 522 3HB ALA 65 HB3 ALA 65 116.173 -14.878 9.756 523 H ILE 66 HN ILE 66 116.325 -14.849 6.251 524 HA ILE 66 HA ILE 66 116.347 -12.024 6.391 525 HB ILE 66 HB ILE 66 117.073 -13.886 4.112 526 1HG1 ILE 66 HG12 ILE 66 118.749 -12.566 6.255 527 2HG1 ILE 66 HG11 ILE 66 118.350 -14.274 6.141 528 1HG2 ILE 66 HG21 ILE 66 116.672 -11.713 3.186 529 2HG2 ILE 66 HG22 ILE 66 118.411 -12.008 3.213 530 3HG2 ILE 66 HG23 ILE 66 117.676 -10.940 4.420 531 1HD1 ILE 66 HD11 ILE 66 119.625 -14.287 3.949 532 2HD1 ILE 66 HD12 ILE 66 120.539 -14.044 5.427 533 3HD1 ILE 66 HD13 ILE 66 120.178 -12.653 4.416 534 H TYR 67 HN TYR 67 114.491 -14.313 4.574 535 HA TYR 67 HA TYR 67 113.029 -12.696 2.866 536 1HB TYR 67 HB2 TYR 67 112.978 -15.097 2.782 537 2HB TYR 67 HB1 TYR 67 112.279 -15.178 4.389 538 HD1 TYR 67 HD1 TYR 67 111.582 -13.725 1.047 539 HD2 TYR 67 HD2 TYR 67 110.029 -15.500 4.568 540 HE1 TYR 67 HE1 TYR 67 109.426 -13.724 0.040 541 HE2 TYR 67 HE2 TYR 67 107.794 -15.558 3.572 542 HH TYR 67 HH TYR 67 106.546 -14.284 1.829 543 H GLU 68 HN GLU 68 112.102 -13.833 6.116 544 HA GLU 68 HA GLU 68 109.765 -12.256 6.244 545 1HB GLU 68 HB2 GLU 68 111.304 -13.715 8.380 546 2HB GLU 68 HB1 GLU 68 109.761 -12.917 8.656 547 1HG GLU 68 HG2 GLU 68 108.669 -14.366 7.083 548 2HG GLU 68 HG1 GLU 68 110.204 -15.103 6.643 549 H LYS 69 HN LYS 69 113.008 -11.481 6.877 550 HA LYS 69 HA LYS 69 112.295 -9.270 8.621 551 1HB LYS 69 HB2 LYS 69 114.224 -10.690 9.179 552 2HB LYS 69 HB1 LYS 69 114.991 -10.237 7.671 553 1HG LYS 69 HG2 LYS 69 115.127 -7.918 8.441 554 2HG LYS 69 HG1 LYS 69 114.360 -8.383 9.962 555 1HD LYS 69 HD2 LYS 69 116.221 -9.897 10.437 556 2HD LYS 69 HD1 LYS 69 116.974 -9.458 8.904 557 1HE LYS 69 HE2 LYS 69 117.147 -7.133 9.670 558 2HE LYS 69 HE1 LYS 69 116.422 -7.591 11.210 559 1HZ LYS 69 HZ1 LYS 69 118.821 -7.522 11.427 560 2HZ LYS 69 HZ2 LYS 69 119.015 -8.567 10.130 561 3HZ LYS 69 HZ3 LYS 69 118.319 -9.121 11.545 562 H PHE 70 HN PHE 70 112.842 -9.792 5.231 563 HA PHE 70 HA PHE 70 113.254 -6.920 4.839 564 1HB PHE 70 HB2 PHE 70 115.063 -9.054 3.712 565 2HB PHE 70 HB1 PHE 70 115.011 -7.408 3.124 566 HD1 PHE 70 HD1 PHE 70 116.551 -9.670 5.342 567 HD2 PHE 70 HD2 PHE 70 115.548 -5.565 4.880 568 HE1 PHE 70 HE1 PHE 70 118.317 -9.065 6.939 569 HE2 PHE 70 HE2 PHE 70 117.312 -4.950 6.484 570 HZ PHE 70 HZ PHE 70 118.702 -6.702 7.511 571 H ILE 71 HN ILE 71 113.019 -10.042 3.171 572 HA ILE 71 HA ILE 71 112.235 -8.905 0.711 573 HB ILE 71 HB ILE 71 112.101 -11.799 1.636 574 1HG1 ILE 71 HG12 ILE 71 114.337 -10.866 1.672 575 2HG1 ILE 71 HG11 ILE 71 114.186 -12.073 0.399 576 1HG2 ILE 71 HG21 ILE 71 111.537 -10.624 -1.049 577 2HG2 ILE 71 HG22 ILE 71 110.777 -12.041 -0.238 578 3HG2 ILE 71 HG23 ILE 71 112.389 -12.144 -0.944 579 1HD1 ILE 71 HD11 ILE 71 115.463 -10.169 -0.361 580 2HD1 ILE 71 HD12 ILE 71 114.131 -9.092 0.045 581 3HD1 ILE 71 HD13 ILE 71 113.943 -10.261 -1.254 582 H GLN 72 HN GLN 72 110.522 -9.481 3.469 583 HA GLN 72 HA GLN 72 107.919 -10.005 2.424 584 1HB GLN 72 HB2 GLN 72 108.751 -8.598 4.939 585 2HB GLN 72 HB1 GLN 72 107.076 -9.037 4.549 586 1HG GLN 72 HG2 GLN 72 109.284 -10.826 4.512 587 2HG GLN 72 HG1 GLN 72 108.476 -10.527 6.087 588 1HE2 GLN 72 HE21 GLN 72 107.548 -12.551 6.370 589 2HE2 GLN 72 HE22 GLN 72 106.542 -13.355 5.223 590 H THR 73 HN THR 73 106.262 -8.470 2.723 591 HA THR 73 HA THR 73 106.977 -5.943 1.413 592 HB THR 73 HB THR 73 104.189 -7.060 1.932 593 HG1 THR 73 HG1 THR 73 104.568 -8.202 0.229 594 1HG2 THR 73 HG21 THR 73 105.110 -4.742 0.222 595 2HG2 THR 73 HG22 THR 73 104.236 -4.627 1.750 596 3HG2 THR 73 HG23 THR 73 103.448 -5.339 0.338 597 H ASP 74 HN ASP 74 105.107 -7.131 4.146 598 HA ASP 74 HA ASP 74 105.676 -4.610 5.534 599 1HB ASP 74 HB2 ASP 74 103.261 -5.350 5.507 600 2HB ASP 74 HB1 ASP 74 103.743 -6.808 6.366 601 H ALA 75 HN ALA 75 107.788 -5.153 5.834 602 HA ALA 75 HA ALA 75 108.430 -7.538 7.397 603 1HB ALA 75 HB1 ALA 75 110.760 -6.963 6.785 604 2HB ALA 75 HB2 ALA 75 110.215 -5.575 5.845 605 3HB ALA 75 HB3 ALA 75 109.736 -7.229 5.390 606 HA PRO 76 HA PRO 76 109.405 -4.967 11.030 607 1HB PRO 76 HB2 PRO 76 111.989 -5.839 11.623 608 2HB PRO 76 HB1 PRO 76 110.519 -6.630 12.196 609 1HG PRO 76 HG2 PRO 76 112.305 -7.356 9.929 610 2HG PRO 76 HG1 PRO 76 111.413 -8.408 11.041 611 1HD PRO 76 HD2 PRO 76 110.615 -7.944 8.505 612 2HD PRO 76 HD1 PRO 76 109.459 -8.239 9.814 613 H LYS 77 HN LYS 77 111.605 -5.491 8.466 614 HA LYS 77 HA LYS 77 112.648 -2.759 8.530 615 1HB LYS 77 HB2 LYS 77 113.473 -5.201 6.919 616 2HB LYS 77 HB1 LYS 77 114.291 -3.652 6.918 617 1HG LYS 77 HG2 LYS 77 114.053 -5.385 9.379 618 2HG LYS 77 HG1 LYS 77 115.387 -5.506 8.241 619 1HD LYS 77 HD2 LYS 77 116.116 -4.137 10.043 620 2HD LYS 77 HD1 LYS 77 115.850 -3.079 8.667 621 1HE LYS 77 HE2 LYS 77 113.611 -2.519 9.654 622 2HE LYS 77 HE1 LYS 77 114.083 -3.436 11.085 623 1HZ LYS 77 HZ1 LYS 77 114.510 -1.047 11.306 624 2HZ LYS 77 HZ2 LYS 77 115.566 -1.142 9.974 625 3HZ LYS 77 HZ3 LYS 77 115.916 -1.981 11.409 626 H GLU 78 HN GLU 78 113.076 -3.362 5.528 627 HA GLU 78 HA GLU 78 110.734 -3.836 4.209 628 1HB GLU 78 HB2 GLU 78 110.045 -1.645 5.355 629 2HB GLU 78 HB1 GLU 78 111.291 -0.847 4.412 630 1HG GLU 78 HG2 GLU 78 110.129 -1.619 2.352 631 2HG GLU 78 HG1 GLU 78 108.832 -2.227 3.380 632 H VAL 79 HN VAL 79 111.249 -3.690 1.930 633 HA VAL 79 HA VAL 79 113.837 -2.481 1.222 634 HB VAL 79 HB VAL 79 112.966 -5.188 0.162 635 1HG1 VAL 79 HG11 VAL 79 115.611 -3.773 0.033 636 2HG1 VAL 79 HG12 VAL 79 114.447 -3.962 -1.280 637 3HG1 VAL 79 HG13 VAL 79 115.263 -5.381 -0.612 638 1HG2 VAL 79 HG21 VAL 79 113.419 -5.470 2.529 639 2HG2 VAL 79 HG22 VAL 79 115.009 -4.721 2.334 640 3HG2 VAL 79 HG23 VAL 79 114.640 -6.262 1.545 641 H ASN 80 HN ASN 80 113.784 -1.606 -0.854 642 HA ASN 80 HA ASN 80 111.135 -1.511 -2.126 643 1HB ASN 80 HB2 ASN 80 113.661 0.028 -2.784 644 2HB ASN 80 HB1 ASN 80 112.109 0.253 -3.571 645 1HD2 ASN 80 HD21 ASN 80 110.629 -0.026 -0.967 646 2HD2 ASN 80 HD22 ASN 80 110.959 1.445 -0.156 647 H LEU 81 HN LEU 81 112.716 -3.839 -2.177 648 HA LEU 81 HA LEU 81 114.159 -4.307 -4.532 649 1HB LEU 81 HB2 LEU 81 114.358 -5.728 -2.725 650 2HB LEU 81 HB1 LEU 81 112.643 -6.190 -2.710 651 HG LEU 81 HG LEU 81 113.320 -7.197 -5.074 652 1HD1 LEU 81 HD11 LEU 81 115.587 -7.825 -5.235 653 2HD1 LEU 81 HD12 LEU 81 115.966 -7.005 -3.737 654 3HD1 LEU 81 HD13 LEU 81 115.446 -6.068 -5.151 655 1HD2 LEU 81 HD21 LEU 81 114.284 -8.418 -2.475 656 2HD2 LEU 81 HD22 LEU 81 114.011 -9.269 -3.989 657 3HD2 LEU 81 HD23 LEU 81 112.656 -8.545 -3.133 658 H ASP 82 HN ASP 82 113.613 -4.907 -6.482 659 HA ASP 82 HA ASP 82 111.191 -4.410 -7.702 660 1HB ASP 82 HB2 ASP 82 113.339 -6.377 -8.539 661 2HB ASP 82 HB1 ASP 82 112.002 -5.884 -9.569 662 H PHE 83 HN PHE 83 109.345 -5.426 -7.889 663 HA PHE 83 HA PHE 83 108.733 -7.432 -6.079 664 1HB PHE 83 HB2 PHE 83 106.461 -7.533 -7.058 665 2HB PHE 83 HB1 PHE 83 106.992 -5.908 -6.667 666 HD1 PHE 83 HD1 PHE 83 106.238 -8.256 -9.375 667 HD2 PHE 83 HD2 PHE 83 107.258 -4.277 -8.353 668 HE1 PHE 83 HE1 PHE 83 105.624 -7.531 -11.653 669 HE2 PHE 83 HE2 PHE 83 106.654 -3.523 -10.632 670 HZ PHE 83 HZ PHE 83 105.836 -5.156 -12.281 671 H HIS 84 HN HIS 84 109.609 -7.816 -9.429 672 HA HIS 84 HA HIS 84 108.722 -10.510 -9.516 673 1HB HIS 84 HB2 HIS 84 109.084 -9.307 -11.603 674 2HB HIS 84 HB1 HIS 84 110.797 -9.141 -11.245 675 HD1 HIS 84 HD1 HIS 84 108.362 -12.142 -11.595 676 HD2 HIS 84 HD2 HIS 84 112.259 -11.009 -12.563 677 HE1 HIS 84 HE1 HIS 84 109.305 -14.016 -12.902 678 HE2 HIS 84 HE2 HIS 84 111.563 -13.247 -13.651 679 H THR 85 HN THR 85 111.711 -9.063 -8.404 680 HA THR 85 HA THR 85 113.161 -11.505 -8.298 681 HB THR 85 HB THR 85 113.543 -9.003 -6.637 682 HG1 THR 85 HG1 THR 85 113.879 -9.474 -9.292 683 1HG2 THR 85 HG21 THR 85 114.739 -11.008 -5.829 684 2HG2 THR 85 HG22 THR 85 115.823 -9.756 -6.348 685 3HG2 THR 85 HG23 THR 85 115.573 -11.165 -7.382 686 H LYS 86 HN LYS 86 111.430 -9.566 -5.929 687 HA LYS 86 HA LYS 86 111.699 -11.415 -3.824 688 1HB LYS 86 HB2 LYS 86 109.947 -10.099 -2.642 689 2HB LYS 86 HB1 LYS 86 111.220 -9.113 -3.344 690 1HG LYS 86 HG2 LYS 86 109.702 -8.630 -5.252 691 2HG LYS 86 HG1 LYS 86 108.423 -9.459 -4.367 692 1HD LYS 86 HD2 LYS 86 109.948 -7.033 -3.404 693 2HD LYS 86 HD1 LYS 86 108.328 -7.015 -4.093 694 1HE LYS 86 HE2 LYS 86 109.132 -8.464 -1.569 695 2HE LYS 86 HE1 LYS 86 108.340 -6.882 -1.652 696 1HZ LYS 86 HZ1 LYS 86 107.130 -9.305 -2.858 697 2HZ LYS 86 HZ2 LYS 86 106.362 -7.853 -2.431 698 3HZ LYS 86 HZ3 LYS 86 106.924 -8.915 -1.250 699 H GLU 87 HN GLU 87 109.332 -11.083 -6.339 700 HA GLU 87 HA GLU 87 107.411 -12.948 -5.597 701 1HB GLU 87 HB2 GLU 87 107.158 -11.618 -7.587 702 2HB GLU 87 HB1 GLU 87 108.588 -12.331 -8.304 703 1HG GLU 87 HG2 GLU 87 107.433 -14.480 -8.430 704 2HG GLU 87 HG1 GLU 87 105.982 -13.730 -7.757 705 H VAL 88 HN VAL 88 110.401 -13.521 -7.429 706 HA VAL 88 HA VAL 88 110.109 -16.302 -7.539 707 HB VAL 88 HB VAL 88 112.699 -14.715 -7.610 708 1HG1 VAL 88 HG11 VAL 88 113.072 -17.081 -7.200 709 2HG1 VAL 88 HG12 VAL 88 113.572 -16.670 -8.849 710 3HG1 VAL 88 HG13 VAL 88 112.031 -17.490 -8.558 711 1HG2 VAL 88 HG21 VAL 88 111.115 -13.969 -9.313 712 2HG2 VAL 88 HG22 VAL 88 110.899 -15.631 -9.854 713 3HG2 VAL 88 HG23 VAL 88 112.463 -14.838 -10.049 714 H ILE 89 HN ILE 89 111.737 -14.212 -5.220 715 HA ILE 89 HA ILE 89 112.842 -16.223 -3.603 716 HB ILE 89 HB ILE 89 111.910 -13.478 -2.725 717 1HG1 ILE 89 HG12 ILE 89 114.640 -14.415 -3.631 718 2HG1 ILE 89 HG11 ILE 89 113.548 -13.386 -4.554 719 1HG2 ILE 89 HG21 ILE 89 112.206 -14.802 -0.756 720 2HG2 ILE 89 HG22 ILE 89 113.634 -13.777 -0.906 721 3HG2 ILE 89 HG23 ILE 89 113.721 -15.475 -1.365 722 1HD1 ILE 89 HD11 ILE 89 113.673 -11.783 -2.610 723 2HD1 ILE 89 HD12 ILE 89 115.124 -11.944 -3.614 724 3HD1 ILE 89 HD13 ILE 89 115.038 -12.741 -2.037 725 H THR 90 HN THR 90 109.691 -14.565 -3.320 726 HA THR 90 HA THR 90 108.870 -15.815 -0.978 727 HB THR 90 HB THR 90 106.515 -15.337 -1.664 728 HG1 THR 90 HG1 THR 90 107.760 -14.711 -4.148 729 1HG2 THR 90 HG21 THR 90 106.731 -12.898 -1.880 730 2HG2 THR 90 HG22 THR 90 108.444 -13.089 -2.258 731 3HG2 THR 90 HG23 THR 90 107.836 -13.543 -0.666 732 H ASN 91 HN ASN 91 108.684 -16.995 -4.282 733 HA ASN 91 HA ASN 91 107.219 -19.366 -3.529 734 1HB ASN 91 HB2 ASN 91 108.650 -18.677 -6.101 735 2HB ASN 91 HB1 ASN 91 107.790 -20.183 -5.843 736 1HD2 ASN 91 HD21 ASN 91 107.517 -16.794 -6.498 737 2HD2 ASN 91 HD22 ASN 91 105.837 -16.822 -6.822 738 H SER 92 HN SER 92 110.574 -18.527 -4.073 739 HA SER 92 HA SER 92 111.366 -21.309 -3.873 740 1HB SER 92 HB2 SER 92 113.077 -18.866 -4.336 741 2HB SER 92 HB1 SER 92 113.511 -20.554 -4.639 742 HG SER 92 HG SER 92 111.629 -18.932 -5.963 743 H ILE 93 HN ILE 93 110.528 -19.231 -1.595 744 HA ILE 93 HA ILE 93 112.913 -19.296 0.015 745 HB ILE 93 HB ILE 93 111.150 -17.419 0.027 746 1HG1 ILE 93 HG12 ILE 93 111.531 -16.987 2.449 747 2HG1 ILE 93 HG11 ILE 93 112.197 -18.616 2.578 748 1HG2 ILE 93 HG21 ILE 93 109.287 -17.610 1.595 749 2HG2 ILE 93 HG22 ILE 93 109.773 -19.266 1.966 750 3HG2 ILE 93 HG23 ILE 93 109.184 -18.882 0.359 751 1HD1 ILE 93 HD11 ILE 93 113.924 -18.024 0.925 752 2HD1 ILE 93 HD12 ILE 93 113.973 -17.007 2.354 753 3HD1 ILE 93 HD13 ILE 93 113.273 -16.379 0.867 754 H THR 94 HN THR 94 110.097 -21.138 -0.341 755 HA THR 94 HA THR 94 110.480 -22.697 2.068 756 HB THR 94 HB THR 94 108.201 -22.172 1.290 757 HG1 THR 94 HG1 THR 94 108.136 -23.983 2.375 758 1HG2 THR 94 HG21 THR 94 108.612 -22.058 -1.109 759 2HG2 THR 94 HG22 THR 94 107.282 -23.167 -0.767 760 3HG2 THR 94 HG23 THR 94 108.879 -23.801 -1.164 761 H GLN 95 HN GLN 95 112.176 -22.511 -0.621 762 HA GLN 95 HA GLN 95 113.157 -25.226 -0.647 763 1HB GLN 95 HB2 GLN 95 112.754 -25.384 -3.147 764 2HB GLN 95 HB1 GLN 95 111.312 -25.523 -2.147 765 1HG GLN 95 HG2 GLN 95 110.770 -23.187 -2.582 766 2HG GLN 95 HG1 GLN 95 112.223 -23.025 -3.558 767 1HE2 GLN 95 HE21 GLN 95 109.424 -22.631 -4.195 768 2HE2 GLN 95 HE22 GLN 95 109.100 -23.630 -5.554 769 HA PRO 96 HA PRO 96 115.715 -21.436 -2.060 770 1HB PRO 96 HB2 PRO 96 117.092 -20.722 0.090 771 2HB PRO 96 HB1 PRO 96 115.393 -20.274 -0.098 772 1HG PRO 96 HG2 PRO 96 116.610 -22.430 1.558 773 2HG PRO 96 HG1 PRO 96 115.259 -21.349 1.940 774 1HD PRO 96 HD2 PRO 96 115.020 -23.963 1.028 775 2HD PRO 96 HD1 PRO 96 113.746 -22.732 0.965 776 H THR 97 HN THR 97 118.004 -21.055 -2.231 777 HA THR 97 HA THR 97 119.852 -23.260 -1.733 778 HB THR 97 HB THR 97 120.633 -22.811 -4.163 779 HG1 THR 97 HG1 THR 97 117.883 -22.149 -4.492 780 1HG2 THR 97 HG21 THR 97 119.718 -24.976 -3.460 781 2HG2 THR 97 HG22 THR 97 119.171 -24.568 -5.086 782 3HG2 THR 97 HG23 THR 97 118.079 -24.373 -3.715 783 H LEU 98 HN LEU 98 122.007 -22.432 -2.747 784 HA LEU 98 HA LEU 98 122.809 -20.774 -0.681 785 1HB LEU 98 HB2 LEU 98 124.058 -22.540 -2.009 786 2HB LEU 98 HB1 LEU 98 124.405 -21.259 -3.154 787 HG LEU 98 HG LEU 98 125.554 -19.996 -1.401 788 1HD1 LEU 98 HD11 LEU 98 124.929 -22.424 0.260 789 2HD1 LEU 98 HD12 LEU 98 124.140 -20.886 0.404 790 3HD1 LEU 98 HD13 LEU 98 125.873 -21.024 0.804 791 1HD2 LEU 98 HD21 LEU 98 127.460 -21.515 -1.145 792 2HD2 LEU 98 HD22 LEU 98 126.804 -21.591 -2.785 793 3HD2 LEU 98 HD23 LEU 98 126.436 -22.870 -1.626 794 H HIS 99 HN HIS 99 121.638 -19.791 -3.786 795 HA HIS 99 HA HIS 99 122.498 -17.087 -3.119 796 1HB HIS 99 HB2 HIS 99 122.792 -18.416 -5.821 797 2HB HIS 99 HB1 HIS 99 122.774 -16.664 -5.643 798 HD1 HIS 99 HD1 HIS 99 124.987 -15.547 -4.934 799 HD2 HIS 99 HD2 HIS 99 125.063 -19.701 -4.583 800 HE1 HIS 99 HE1 HIS 99 127.264 -16.110 -4.090 801 HE2 HIS 99 HE2 HIS 99 127.289 -18.602 -3.836 802 H SER 100 HN SER 100 119.982 -18.323 -2.572 803 HA SER 100 HA SER 100 117.979 -17.644 -4.347 804 1HB SER 100 HB2 SER 100 117.864 -17.827 -1.308 805 2HB SER 100 HB1 SER 100 116.457 -17.673 -2.350 806 HG SER 100 HG SER 100 117.130 -19.503 -3.440 807 H PHE 101 HN PHE 101 119.776 -15.466 -2.304 808 HA PHE 101 HA PHE 101 117.836 -13.321 -2.916 809 1HB PHE 101 HB2 PHE 101 120.059 -13.326 -0.875 810 2HB PHE 101 HB1 PHE 101 118.908 -12.028 -1.144 811 HD1 PHE 101 HD1 PHE 101 116.456 -12.492 -0.671 812 HD2 PHE 101 HD2 PHE 101 119.613 -15.059 0.553 813 HE1 PHE 101 HE1 PHE 101 114.992 -13.497 1.031 814 HE2 PHE 101 HE2 PHE 101 118.141 -16.060 2.231 815 HZ PHE 101 HZ PHE 101 115.835 -15.276 2.461 816 H ASP 102 HN ASP 102 120.328 -14.564 -4.368 817 HA ASP 102 HA ASP 102 122.331 -12.542 -4.384 818 1HB ASP 102 HB2 ASP 102 122.632 -14.971 -4.973 819 2HB ASP 102 HB1 ASP 102 121.870 -14.619 -6.513 820 H ALA 103 HN ALA 103 119.543 -13.164 -6.452 821 HA ALA 103 HA ALA 103 120.156 -11.200 -8.417 822 1HB ALA 103 HB1 ALA 103 117.382 -12.159 -7.663 823 2HB ALA 103 HB2 ALA 103 118.461 -13.069 -8.718 824 3HB ALA 103 HB3 ALA 103 117.891 -11.471 -9.202 825 H ALA 104 HN ALA 104 118.283 -11.293 -5.499 826 HA ALA 104 HA ALA 104 117.226 -8.720 -5.617 827 1HB ALA 104 HB1 ALA 104 116.339 -10.450 -4.231 828 2HB ALA 104 HB2 ALA 104 116.686 -8.991 -3.298 829 3HB ALA 104 HB3 ALA 104 117.763 -10.405 -3.171 830 H GLN 105 HN GLN 105 120.260 -9.896 -4.340 831 HA GLN 105 HA GLN 105 121.123 -7.543 -3.068 832 1HB GLN 105 HB2 GLN 105 122.877 -9.462 -4.596 833 2HB GLN 105 HB1 GLN 105 123.380 -8.360 -3.327 834 1HG GLN 105 HG2 GLN 105 121.926 -9.596 -1.771 835 2HG GLN 105 HG1 GLN 105 121.621 -10.768 -3.055 836 1HE2 GLN 105 HE21 GLN 105 124.676 -9.148 -2.465 837 2HE2 GLN 105 HE22 GLN 105 125.514 -10.557 -1.925 838 H SER 106 HN SER 106 121.325 -8.615 -6.393 839 HA SER 106 HA SER 106 122.865 -6.438 -7.333 840 1HB SER 106 HB2 SER 106 122.636 -8.698 -8.454 841 2HB SER 106 HB1 SER 106 121.008 -8.236 -8.930 842 HG SER 106 HG SER 106 121.869 -6.601 -10.210 843 H ARG 107 HN ARG 107 119.412 -7.066 -7.008 844 HA ARG 107 HA ARG 107 118.500 -4.747 -8.417 845 1HB ARG 107 HB2 ARG 107 117.044 -6.116 -6.169 846 2HB ARG 107 HB1 ARG 107 116.357 -5.101 -7.417 847 1HG ARG 107 HG2 ARG 107 117.433 -7.892 -7.679 848 2HG ARG 107 HG1 ARG 107 115.776 -7.329 -7.874 849 1HD ARG 107 HD2 ARG 107 118.118 -6.664 -9.673 850 2HD ARG 107 HD1 ARG 107 116.831 -7.805 -10.043 851 HE ARG 107 HE ARG 107 115.672 -5.328 -9.488 852 1HH1 ARG 107 HH11 ARG 107 117.805 -6.738 -11.962 853 2HH1 ARG 107 HH12 ARG 107 117.270 -5.741 -13.218 854 1HH2 ARG 107 HH21 ARG 107 114.857 -4.024 -11.195 855 2HH2 ARG 107 HH22 ARG 107 115.502 -4.134 -12.778 856 H VAL 108 HN VAL 108 119.080 -5.420 -5.038 857 HA VAL 108 HA VAL 108 118.368 -2.845 -4.172 858 HB VAL 108 HB VAL 108 119.973 -5.037 -2.849 859 1HG1 VAL 108 HG11 VAL 108 120.684 -2.867 -1.928 860 2HG1 VAL 108 HG12 VAL 108 119.711 -3.774 -0.764 861 3HG1 VAL 108 HG13 VAL 108 118.992 -2.440 -1.673 862 1HG2 VAL 108 HG21 VAL 108 117.203 -3.951 -2.476 863 2HG2 VAL 108 HG22 VAL 108 117.921 -5.279 -1.549 864 3HG2 VAL 108 HG23 VAL 108 117.638 -5.450 -3.288 865 H TYR 109 HN TYR 109 121.470 -4.224 -5.102 866 HA TYR 109 HA TYR 109 123.096 -2.067 -4.501 867 1HB TYR 109 HB2 TYR 109 124.308 -3.892 -5.155 868 2HB TYR 109 HB1 TYR 109 123.240 -4.319 -6.468 869 HD1 TYR 109 HD1 TYR 109 126.273 -2.590 -5.476 870 HD2 TYR 109 HD2 TYR 109 123.466 -2.965 -8.645 871 HE1 TYR 109 HE1 TYR 109 127.846 -1.483 -7.011 872 HE2 TYR 109 HE2 TYR 109 125.002 -1.875 -10.168 873 HH TYR 109 HH TYR 109 126.862 -0.149 -9.792 874 H GLN 110 HN GLN 110 121.237 -2.631 -7.502 875 HA GLN 110 HA GLN 110 122.109 -0.163 -8.650 876 1HB GLN 110 HB2 GLN 110 120.305 -0.526 -10.347 877 2HB GLN 110 HB1 GLN 110 121.443 -1.856 -10.195 878 1HG GLN 110 HG2 GLN 110 119.898 -3.173 -9.039 879 2HG GLN 110 HG1 GLN 110 118.781 -1.840 -8.800 880 1HE2 GLN 110 HE21 GLN 110 117.468 -1.241 -10.540 881 2HE2 GLN 110 HE22 GLN 110 117.365 -2.183 -11.986 882 H LEU 111 HN LEU 111 119.436 -1.148 -6.738 883 HA LEU 111 HA LEU 111 117.670 0.951 -6.953 884 1HB LEU 111 HB2 LEU 111 117.181 -1.115 -5.848 885 2HB LEU 111 HB1 LEU 111 118.435 -0.836 -4.669 886 HG LEU 111 HG LEU 111 117.126 1.014 -3.750 887 1HD1 LEU 111 HD11 LEU 111 115.881 1.621 -5.757 888 2HD1 LEU 111 HD12 LEU 111 114.786 1.273 -4.417 889 3HD1 LEU 111 HD13 LEU 111 115.024 0.081 -5.697 890 1HD2 LEU 111 HD21 LEU 111 115.444 -0.424 -2.696 891 2HD2 LEU 111 HD22 LEU 111 117.014 -1.230 -2.830 892 3HD2 LEU 111 HD23 LEU 111 115.720 -1.636 -3.950 893 H MET 112 HN MET 112 120.176 0.522 -4.418 894 HA MET 112 HA MET 112 119.817 3.298 -3.906 895 1HB MET 112 HB2 MET 112 121.705 2.876 -2.101 896 2HB MET 112 HB1 MET 112 120.009 2.498 -1.795 897 1HG MET 112 HG2 MET 112 121.420 0.798 -0.949 898 2HG MET 112 HG1 MET 112 120.556 0.163 -2.339 899 1HE MET 112 HE1 MET 112 124.071 -1.578 -2.184 900 2HE MET 112 HE2 MET 112 122.327 -1.816 -2.055 901 3HE MET 112 HE3 MET 112 123.190 -0.926 -0.802 902 H GLU 113 HN GLU 113 121.820 1.682 -5.927 903 HA GLU 113 HA GLU 113 123.997 3.457 -6.017 904 1HB GLU 113 HB2 GLU 113 123.884 1.351 -7.330 905 2HB GLU 113 HB1 GLU 113 122.601 2.051 -8.306 906 1HG GLU 113 HG2 GLU 113 124.170 3.748 -9.133 907 2HG GLU 113 HG1 GLU 113 125.452 3.015 -8.168 908 H GLN 114 HN GLN 114 121.021 3.454 -7.948 909 HA GLN 114 HA GLN 114 121.491 5.973 -9.162 910 1HB GLN 114 HB2 GLN 114 119.181 5.785 -9.979 911 2HB GLN 114 HB1 GLN 114 120.111 4.313 -10.245 912 1HG GLN 114 HG2 GLN 114 119.083 3.317 -8.281 913 2HG GLN 114 HG1 GLN 114 118.121 4.772 -8.039 914 1HE2 GLN 114 HE21 GLN 114 117.308 2.069 -8.469 915 2HE2 GLN 114 HE22 GLN 114 116.310 2.041 -9.874 916 H ASP 115 HN ASP 115 119.991 5.075 -6.174 917 HA ASP 115 HA ASP 115 118.812 7.732 -6.045 918 1HB ASP 115 HB2 ASP 115 117.253 5.930 -5.588 919 2HB ASP 115 HB1 ASP 115 118.265 5.368 -4.260 920 H SER 116 HN SER 116 120.713 5.615 -3.858 921 HA SER 116 HA SER 116 121.180 7.959 -2.247 922 1HB SER 116 HB2 SER 116 121.827 5.060 -1.734 923 2HB SER 116 HB1 SER 116 122.077 6.380 -0.590 924 HG SER 116 HG SER 116 120.015 6.556 -0.265 925 H TYR 117 HN TYR 117 123.033 6.000 -4.541 926 HA TYR 117 HA TYR 117 125.551 6.600 -3.383 927 1HB TYR 117 HB2 TYR 117 125.441 4.676 -4.711 928 2HB TYR 117 HB1 TYR 117 124.730 5.566 -6.073 929 HD1 TYR 117 HD1 TYR 117 127.866 5.791 -4.011 930 HD2 TYR 117 HD2 TYR 117 126.079 5.765 -7.863 931 HE1 TYR 117 HE1 TYR 117 130.085 6.041 -5.043 932 HE2 TYR 117 HE2 TYR 117 128.274 6.018 -8.892 933 HH TYR 117 HH TYR 117 131.201 5.750 -7.068 934 H THR 118 HN THR 118 123.658 8.130 -5.849 935 HA THR 118 HA THR 118 125.553 10.015 -6.721 936 HB THR 118 HB THR 118 123.375 11.255 -7.349 937 HG1 THR 118 HG1 THR 118 121.482 10.086 -6.923 938 1HG2 THR 118 HG21 THR 118 122.831 9.583 -9.082 939 2HG2 THR 118 HG22 THR 118 123.726 8.361 -8.177 940 3HG2 THR 118 HG23 THR 118 124.579 9.729 -8.888 941 H ARG 119 HN ARG 119 123.045 10.068 -4.283 942 HA ARG 119 HA ARG 119 123.501 12.657 -3.244 943 1HB ARG 119 HB2 ARG 119 122.510 10.307 -1.629 944 2HB ARG 119 HB1 ARG 119 122.193 12.008 -1.348 945 1HG ARG 119 HG2 ARG 119 121.138 10.312 -3.584 946 2HG ARG 119 HG1 ARG 119 120.240 10.932 -2.204 947 1HD ARG 119 HD2 ARG 119 120.603 13.201 -2.988 948 2HD ARG 119 HD1 ARG 119 121.540 12.587 -4.352 949 HE ARG 119 HE ARG 119 118.977 11.400 -4.223 950 1HH1 ARG 119 HH11 ARG 119 120.758 14.231 -5.401 951 2HH1 ARG 119 HH12 ARG 119 119.464 14.731 -6.421 952 1HH2 ARG 119 HH21 ARG 119 117.311 12.085 -5.757 953 2HH2 ARG 119 HH22 ARG 119 117.553 13.549 -6.614 954 H PHE 120 HN PHE 120 124.790 9.476 -2.489 955 HA PHE 120 HA PHE 120 126.326 10.137 -0.310 956 1HB PHE 120 HB2 PHE 120 126.017 7.825 -0.754 957 2HB PHE 120 HB1 PHE 120 126.651 7.971 -2.389 958 HD1 PHE 120 HD1 PHE 120 127.609 8.027 1.202 959 HD2 PHE 120 HD2 PHE 120 128.935 7.682 -2.827 960 HE1 PHE 120 HE1 PHE 120 129.871 7.352 1.983 961 HE2 PHE 120 HE2 PHE 120 131.160 7.018 -2.044 962 HZ PHE 120 HZ PHE 120 131.620 6.856 0.359 963 H LEU 121 HN LEU 121 127.078 10.283 -3.771 964 HA LEU 121 HA LEU 121 129.757 11.020 -3.467 965 1HB LEU 121 HB2 LEU 121 127.845 11.648 -5.708 966 2HB LEU 121 HB1 LEU 121 129.566 11.976 -5.770 967 HG LEU 121 HG LEU 121 128.310 9.246 -5.506 968 1HD1 LEU 121 HD11 LEU 121 129.151 8.885 -7.760 969 2HD1 LEU 121 HD12 LEU 121 129.753 10.541 -7.815 970 3HD1 LEU 121 HD13 LEU 121 128.017 10.236 -7.724 971 1HD2 LEU 121 HD21 LEU 121 131.197 10.044 -5.835 972 2HD2 LEU 121 HD22 LEU 121 130.574 8.392 -5.726 973 3HD2 LEU 121 HD23 LEU 121 130.468 9.485 -4.339 974 H LYS 122 HN LYS 122 126.870 12.888 -3.178 975 HA LYS 122 HA LYS 122 128.610 15.159 -2.548 976 1HB LYS 122 HB2 LYS 122 125.732 15.130 -3.382 977 2HB LYS 122 HB1 LYS 122 126.465 16.552 -2.637 978 1HG LYS 122 HG2 LYS 122 127.415 15.182 -5.143 979 2HG LYS 122 HG1 LYS 122 126.552 16.725 -5.054 980 1HD LYS 122 HD2 LYS 122 128.348 17.747 -3.855 981 2HD LYS 122 HD1 LYS 122 129.173 16.203 -3.665 982 1HE LYS 122 HE2 LYS 122 130.230 17.560 -5.353 983 2HE LYS 122 HE1 LYS 122 129.537 16.105 -6.062 984 1HZ LYS 122 HZ1 LYS 122 128.195 18.751 -6.090 985 2HZ LYS 122 HZ2 LYS 122 127.757 17.359 -6.967 986 3HZ LYS 122 HZ3 LYS 122 129.181 18.178 -7.325 987 H SER 123 HN SER 123 127.561 12.803 -0.818 988 HA SER 123 HA SER 123 126.308 14.119 1.393 989 1HB SER 123 HB2 SER 123 126.629 12.051 2.607 990 2HB SER 123 HB1 SER 123 126.088 11.677 0.972 991 HG SER 123 HG SER 123 128.273 11.235 0.434 992 H ASP 124 HN ASP 124 127.217 14.500 3.447 993 HA ASP 124 HA ASP 124 129.698 15.808 3.478 994 1HB ASP 124 HB2 ASP 124 127.985 14.768 5.735 995 2HB ASP 124 HB1 ASP 124 129.498 15.615 6.016 996 H ILE 125 HN ILE 125 128.817 12.518 4.251 997 HA ILE 125 HA ILE 125 131.266 11.884 5.485 998 HB ILE 125 HB ILE 125 129.080 10.560 5.700 999 1HG1 ILE 125 HG12 ILE 125 130.234 8.349 5.911 1000 2HG1 ILE 125 HG11 ILE 125 131.655 9.094 5.180 1001 1HG2 ILE 125 HG21 ILE 125 128.668 8.722 4.180 1002 2HG2 ILE 125 HG22 ILE 125 130.002 9.239 3.165 1003 3HG2 ILE 125 HG23 ILE 125 128.572 10.267 3.329 1004 1HD1 ILE 125 HD11 ILE 125 131.755 10.698 7.017 1005 2HD1 ILE 125 HD12 ILE 125 131.840 9.031 7.593 1006 3HD1 ILE 125 HD13 ILE 125 130.338 9.943 7.748 1007 H TYR 126 HN TYR 126 130.218 11.631 2.093 1008 HA TYR 126 HA TYR 126 132.748 10.459 1.364 1009 1HB TYR 126 HB2 TYR 126 130.742 9.896 0.051 1010 2HB TYR 126 HB1 TYR 126 130.620 11.572 -0.471 1011 HD1 TYR 126 HD1 TYR 126 133.177 8.867 -0.362 1012 HD2 TYR 126 HD2 TYR 126 131.464 12.046 -2.608 1013 HE1 TYR 126 HE1 TYR 126 134.681 8.341 -2.194 1014 HE2 TYR 126 HE2 TYR 126 132.976 11.529 -4.478 1015 HH TYR 126 HH TYR 126 134.978 8.670 -4.424 1016 H LEU 127 HN LEU 127 131.320 13.648 1.323 1017 HA LEU 127 HA LEU 127 133.413 14.875 -0.098 1018 1HB LEU 127 HB2 LEU 127 131.558 16.046 1.977 1019 2HB LEU 127 HB1 LEU 127 132.586 17.005 0.938 1020 HG LEU 127 HG LEU 127 130.216 15.325 0.173 1021 1HD1 LEU 127 HD11 LEU 127 130.709 18.273 -0.024 1022 2HD1 LEU 127 HD12 LEU 127 129.636 17.447 1.108 1023 3HD1 LEU 127 HD13 LEU 127 129.280 17.426 -0.620 1024 1HD2 LEU 127 HD21 LEU 127 131.839 14.999 -1.578 1025 2HD2 LEU 127 HD22 LEU 127 132.167 16.732 -1.654 1026 3HD2 LEU 127 HD23 LEU 127 130.597 16.106 -2.159 1027 H ASP 128 HN ASP 128 133.044 13.922 3.213 1028 HA ASP 128 HA ASP 128 135.337 15.127 4.325 1029 1HB ASP 128 HB2 ASP 128 133.759 14.123 5.818 1030 2HB ASP 128 HB1 ASP 128 133.877 12.571 4.999 1031 H LEU 129 HN LEU 129 134.857 12.047 2.667 1032 HA LEU 129 HA LEU 129 137.567 11.180 2.886 1033 1HB LEU 129 HB2 LEU 129 135.800 10.267 0.571 1034 2HB LEU 129 HB1 LEU 129 137.063 9.486 1.409 1035 HG LEU 129 HG LEU 129 134.605 10.066 2.991 1036 1HD1 LEU 129 HD11 LEU 129 135.042 7.714 1.172 1037 2HD1 LEU 129 HD12 LEU 129 133.829 8.979 0.965 1038 3HD1 LEU 129 HD13 LEU 129 133.742 7.889 2.350 1039 1HD2 LEU 129 HD21 LEU 129 135.302 7.975 4.074 1040 2HD2 LEU 129 HD22 LEU 129 136.521 9.254 4.209 1041 3HD2 LEU 129 HD23 LEU 129 136.736 7.935 3.049 1042 H MET 130 HN MET 130 135.926 13.368 0.779 1043 HA MET 130 HA MET 130 138.069 13.380 -1.204 1044 1HB MET 130 HB2 MET 130 135.486 14.935 -1.117 1045 2HB MET 130 HB1 MET 130 136.666 15.052 -2.400 1046 1HG MET 130 HG2 MET 130 135.110 12.577 -1.671 1047 2HG MET 130 HG1 MET 130 134.694 13.699 -2.957 1048 1HE MET 130 HE1 MET 130 136.813 10.634 -1.886 1049 2HE MET 130 HE2 MET 130 138.019 11.912 -1.717 1050 3HE MET 130 HE3 MET 130 138.199 10.691 -2.979 1051 H GLU 131 HN GLU 131 136.280 16.132 0.004 1052 HA GLU 131 HA GLU 131 138.508 17.875 -0.300 1053 1HB GLU 131 HB2 GLU 131 136.200 18.505 -0.815 1054 2HB GLU 131 HB1 GLU 131 135.775 18.324 0.877 1055 1HG GLU 131 HG2 GLU 131 137.262 20.152 1.454 1056 2HG GLU 131 HG1 GLU 131 137.726 20.317 -0.242 1057 H GLY 132 HN GLY 132 136.895 16.281 2.350 1058 1HA GLY 132 HA2 GLY 132 138.116 17.705 4.472 1059 2HA GLY 132 HA1 GLY 132 137.482 16.064 4.581 1060 H ARG 133 HN ARG 133 139.113 15.124 2.432 1061 HA ARG 133 HA ARG 133 140.975 13.954 2.078 1062 1HB ARG 133 HB2 ARG 133 141.898 16.132 1.496 1063 2HB ARG 133 HB1 ARG 133 142.341 16.415 3.175 1064 1HG ARG 133 HG2 ARG 133 143.852 14.467 3.072 1065 2HG ARG 133 HG1 ARG 133 143.449 14.277 1.370 1066 1HD ARG 133 HD2 ARG 133 144.369 16.492 0.906 1067 2HD ARG 133 HD1 ARG 133 144.753 16.691 2.620 1068 HE ARG 133 HE ARG 133 145.876 14.301 1.614 1069 1HH1 ARG 133 HH11 ARG 133 146.464 17.812 1.477 1070 2HH1 ARG 133 HH12 ARG 133 148.150 17.595 1.263 1071 1HH2 ARG 133 HH21 ARG 133 148.078 14.075 1.342 1072 2HH2 ARG 133 HH22 ARG 133 149.107 15.440 1.186 1073 HA PRO 134 HA PRO 134 141.581 12.176 6.128 1074 1HB PRO 134 HB2 PRO 134 141.680 9.614 4.779 1075 2HB PRO 134 HB1 PRO 134 140.458 10.216 5.903 1076 1HG PRO 134 HG2 PRO 134 140.006 9.801 3.232 1077 2HG PRO 134 HG1 PRO 134 139.099 10.956 4.224 1078 1HD PRO 134 HD2 PRO 134 141.357 11.448 2.326 1079 2HD PRO 134 HD1 PRO 134 139.892 12.412 2.612 Start of MODEL 19 1 1H SER 1 HT1 SER 1 142.542 1.997 8.624 2 2H SER 1 HT2 SER 1 141.669 1.367 7.295 3 3H SER 1 HT3 SER 1 141.018 1.287 8.870 4 HA SER 1 HA SER 1 139.991 2.992 7.593 5 1HB SER 1 HB2 SER 1 141.784 4.064 9.779 6 2HB SER 1 HB1 SER 1 140.174 4.636 9.338 7 HG SER 1 HG SER 1 139.905 3.357 11.086 8 H MET 2 HN MET 2 140.568 5.544 7.279 9 HA MET 2 HA MET 2 141.650 7.180 6.245 10 1HB MET 2 HB2 MET 2 144.133 5.516 6.682 11 2HB MET 2 HB1 MET 2 144.145 7.138 6.007 12 1HG MET 2 HG2 MET 2 143.242 8.035 8.057 13 2HG MET 2 HG1 MET 2 143.101 6.414 8.733 14 1HE MET 2 HE1 MET 2 144.410 7.286 10.896 15 2HE MET 2 HE2 MET 2 144.556 8.879 10.158 16 3HE MET 2 HE3 MET 2 145.982 8.085 10.825 17 H VAL 3 HN VAL 3 140.667 7.141 4.390 18 HA VAL 3 HA VAL 3 141.931 5.643 2.218 19 HB VAL 3 HB VAL 3 139.587 5.001 2.295 20 1HG1 VAL 3 HG11 VAL 3 137.753 6.616 2.304 21 2HG1 VAL 3 HG12 VAL 3 138.909 7.945 2.379 22 3HG1 VAL 3 HG13 VAL 3 138.777 6.815 3.728 23 1HG2 VAL 3 HG21 VAL 3 139.733 7.164 0.185 24 2HG2 VAL 3 HG22 VAL 3 138.732 5.713 0.183 25 3HG2 VAL 3 HG23 VAL 3 140.479 5.568 0.038 26 H SER 4 HN SER 4 143.049 6.733 0.730 27 HA SER 4 HA SER 4 143.508 9.505 0.902 28 1HB SER 4 HB2 SER 4 145.163 7.951 -0.031 29 2HB SER 4 HB1 SER 4 144.044 7.482 -1.305 30 HG SER 4 HG SER 4 145.599 9.019 -2.040 31 HA PRO 5 HA PRO 5 140.000 11.222 -1.365 32 1HB PRO 5 HB2 PRO 5 142.140 12.852 -2.680 33 2HB PRO 5 HB1 PRO 5 140.614 13.382 -1.957 34 1HG PRO 5 HG2 PRO 5 142.897 13.739 -0.658 35 2HG PRO 5 HG1 PRO 5 141.434 13.235 0.209 36 1HD PRO 5 HD2 PRO 5 143.831 11.633 -0.559 37 2HD PRO 5 HD1 PRO 5 142.802 11.510 0.882 38 H GLU 6 HN GLU 6 142.944 10.250 -2.939 39 HA GLU 6 HA GLU 6 142.075 10.076 -5.633 40 1HB GLU 6 HB2 GLU 6 144.125 8.412 -4.173 41 2HB GLU 6 HB1 GLU 6 143.992 8.596 -5.915 42 1HG GLU 6 HG2 GLU 6 144.644 10.865 -5.814 43 2HG GLU 6 HG1 GLU 6 144.502 10.891 -4.054 44 H GLU 7 HN GLU 7 142.281 7.679 -3.039 45 HA GLU 7 HA GLU 7 141.177 5.529 -4.534 46 1HB GLU 7 HB2 GLU 7 142.661 5.346 -2.521 47 2HB GLU 7 HB1 GLU 7 141.321 5.910 -1.540 48 1HG GLU 7 HG2 GLU 7 141.493 3.537 -1.361 49 2HG GLU 7 HG1 GLU 7 140.024 3.937 -2.259 50 H ALA 8 HN ALA 8 139.985 8.004 -2.397 51 HA ALA 8 HA ALA 8 137.387 6.966 -2.152 52 1HB ALA 8 HB1 ALA 8 136.803 9.125 -1.110 53 2HB ALA 8 HB2 ALA 8 138.299 9.816 -1.741 54 3HB ALA 8 HB3 ALA 8 138.367 8.517 -0.550 55 H VAL 9 HN VAL 9 138.765 9.420 -4.433 56 HA VAL 9 HA VAL 9 136.313 9.807 -5.756 57 HB VAL 9 HB VAL 9 137.428 10.645 -7.719 58 1HG1 VAL 9 HG11 VAL 9 138.749 11.632 -5.232 59 2HG1 VAL 9 HG12 VAL 9 137.228 12.182 -5.938 60 3HG1 VAL 9 HG13 VAL 9 138.749 12.466 -6.785 61 1HG2 VAL 9 HG21 VAL 9 140.030 9.708 -6.530 62 2HG2 VAL 9 HG22 VAL 9 139.866 10.699 -7.985 63 3HG2 VAL 9 HG23 VAL 9 139.224 9.054 -7.954 64 H LYS 10 HN LYS 10 138.520 7.216 -5.933 65 HA LYS 10 HA LYS 10 137.645 5.978 -8.265 66 1HB LYS 10 HB2 LYS 10 138.980 5.124 -5.809 67 2HB LYS 10 HB1 LYS 10 138.067 3.855 -6.610 68 1HG LYS 10 HG2 LYS 10 140.415 3.953 -7.265 69 2HG LYS 10 HG1 LYS 10 139.296 4.145 -8.610 70 1HD LYS 10 HD2 LYS 10 139.621 6.582 -8.467 71 2HD LYS 10 HD1 LYS 10 140.828 6.314 -7.202 72 1HE LYS 10 HE2 LYS 10 141.844 6.589 -9.408 73 2HE LYS 10 HE1 LYS 10 142.145 5.005 -8.683 74 1HZ LYS 10 HZ1 LYS 10 141.482 4.910 -11.115 75 2HZ LYS 10 HZ2 LYS 10 139.942 5.458 -10.641 76 3HZ LYS 10 HZ3 LYS 10 140.569 4.010 -10.043 77 H TRP 11 HN TRP 11 136.223 6.143 -5.124 78 HA TRP 11 HA TRP 11 134.198 4.196 -5.570 79 1HB TRP 11 HB2 TRP 11 134.303 6.487 -3.620 80 2HB TRP 11 HB1 TRP 11 133.206 5.122 -3.525 81 HD1 TRP 11 HD1 TRP 11 136.021 3.268 -4.422 82 HE1 TRP 11 HE1 TRP 11 137.449 2.531 -2.496 83 HE3 TRP 11 HE3 TRP 11 134.231 6.536 -0.973 84 HZ2 TRP 11 HZ2 TRP 11 137.759 3.251 0.287 85 HZ3 TRP 11 HZ3 TRP 11 135.115 6.425 1.341 86 HH2 TRP 11 HH2 TRP 11 136.850 4.829 1.931 87 H GLY 12 HN GLY 12 134.689 7.495 -6.310 88 1HA GLY 12 HA2 GLY 12 131.902 8.135 -6.737 89 2HA GLY 12 HA1 GLY 12 133.279 9.181 -7.054 90 H GLU 13 HN GLU 13 134.191 6.460 -8.420 91 HA GLU 13 HA GLU 13 132.774 6.992 -10.908 92 1HB GLU 13 HB2 GLU 13 134.890 6.248 -12.100 93 2HB GLU 13 HB1 GLU 13 134.972 7.799 -11.285 94 1HG GLU 13 HG2 GLU 13 136.095 6.615 -9.373 95 2HG GLU 13 HG1 GLU 13 136.162 5.185 -10.395 96 H SER 14 HN SER 14 133.012 4.808 -8.498 97 HA SER 14 HA SER 14 131.799 2.737 -10.030 98 1HB SER 14 HB2 SER 14 134.572 2.265 -8.936 99 2HB SER 14 HB1 SER 14 133.475 0.963 -9.409 100 HG SER 14 HG SER 14 133.849 2.955 -11.261 101 H PHE 15 HN PHE 15 130.096 2.635 -8.612 102 HA PHE 15 HA PHE 15 130.215 2.677 -5.814 103 1HB PHE 15 HB2 PHE 15 128.127 3.071 -7.038 104 2HB PHE 15 HB1 PHE 15 128.148 1.430 -7.656 105 HD1 PHE 15 HD1 PHE 15 128.172 3.214 -4.368 106 HD2 PHE 15 HD2 PHE 15 126.751 -0.096 -6.621 107 HE1 PHE 15 HE1 PHE 15 126.783 2.505 -2.456 108 HE2 PHE 15 HE2 PHE 15 125.361 -0.797 -4.694 109 HZ PHE 15 HZ PHE 15 125.387 0.506 -2.632 110 H ASP 16 HN ASP 16 130.672 0.090 -8.105 111 HA ASP 16 HA ASP 16 130.363 -2.050 -6.288 112 1HB ASP 16 HB2 ASP 16 131.184 -3.511 -7.958 113 2HB ASP 16 HB1 ASP 16 130.403 -2.196 -8.820 114 H LYS 17 HN LYS 17 133.150 -0.038 -7.068 115 HA LYS 17 HA LYS 17 134.796 -1.836 -5.501 116 1HB LYS 17 HB2 LYS 17 136.706 -0.545 -6.047 117 2HB LYS 17 HB1 LYS 17 135.765 -0.718 -7.503 118 1HG LYS 17 HG2 LYS 17 134.936 1.524 -7.315 119 2HG LYS 17 HG1 LYS 17 135.734 1.720 -5.764 120 1HD LYS 17 HD2 LYS 17 137.041 2.834 -7.455 121 2HD LYS 17 HD1 LYS 17 137.925 1.441 -6.859 122 1HE LYS 17 HE2 LYS 17 136.295 1.373 -9.398 123 2HE LYS 17 HE1 LYS 17 137.971 1.893 -9.375 124 1HZ LYS 17 HZ1 LYS 17 138.567 -0.322 -8.489 125 2HZ LYS 17 HZ2 LYS 17 137.811 -0.374 -10.006 126 3HZ LYS 17 HZ3 LYS 17 136.949 -0.838 -8.675 127 H LEU 18 HN LEU 18 133.127 1.141 -5.140 128 HA LEU 18 HA LEU 18 134.049 2.104 -2.689 129 1HB LEU 18 HB2 LEU 18 132.400 3.349 -3.878 130 2HB LEU 18 HB1 LEU 18 131.321 1.978 -3.979 131 HG LEU 18 HG LEU 18 130.944 2.171 -1.508 132 1HD1 LEU 18 HD11 LEU 18 132.966 3.383 -0.919 133 2HD1 LEU 18 HD12 LEU 18 131.518 4.273 -0.424 134 3HD1 LEU 18 HD13 LEU 18 132.403 4.754 -1.876 135 1HD2 LEU 18 HD21 LEU 18 129.472 4.087 -1.640 136 2HD2 LEU 18 HD22 LEU 18 129.353 3.080 -3.084 137 3HD2 LEU 18 HD23 LEU 18 130.248 4.603 -3.139 138 H LEU 19 HN LEU 19 131.548 -0.141 -3.470 139 HA LEU 19 HA LEU 19 130.735 -0.834 -0.885 140 1HB LEU 19 HB2 LEU 19 129.701 -0.901 -3.273 141 2HB LEU 19 HB1 LEU 19 130.366 -2.515 -3.290 142 HG LEU 19 HG LEU 19 128.993 -3.127 -1.387 143 1HD1 LEU 19 HD11 LEU 19 127.371 -1.511 -0.475 144 2HD1 LEU 19 HD12 LEU 19 127.959 -0.282 -1.598 145 3HD1 LEU 19 HD13 LEU 19 129.007 -0.866 -0.322 146 1HD2 LEU 19 HD21 LEU 19 128.126 -3.371 -3.648 147 2HD2 LEU 19 HD22 LEU 19 127.537 -1.710 -3.612 148 3HD2 LEU 19 HD23 LEU 19 126.826 -2.910 -2.542 149 H SER 20 HN SER 20 133.173 -2.097 -3.047 150 HA SER 20 HA SER 20 133.520 -4.457 -1.373 151 1HB SER 20 HB2 SER 20 134.759 -3.796 -4.041 152 2HB SER 20 HB1 SER 20 134.868 -5.342 -3.191 153 HG SER 20 HG SER 20 132.766 -4.171 -4.554 154 H HIS 21 HN HIS 21 134.619 -1.423 -1.161 155 HA HIS 21 HA HIS 21 137.359 -2.221 -0.382 156 1HB HIS 21 HB2 HIS 21 136.877 -0.017 -1.889 157 2HB HIS 21 HB1 HIS 21 136.315 0.624 -0.363 158 HD1 HIS 21 HD1 HIS 21 138.102 1.697 1.106 159 HD2 HIS 21 HD2 HIS 21 139.704 -0.732 -1.863 160 HE1 HIS 21 HE1 HIS 21 140.567 2.082 1.173 161 HE2 HIS 21 HE2 HIS 21 141.480 0.791 -0.769 162 H ARG 22 HN ARG 22 137.657 -2.348 1.810 163 HA ARG 22 HA ARG 22 135.354 -2.428 3.444 164 1HB ARG 22 HB2 ARG 22 137.628 -3.602 3.834 165 2HB ARG 22 HB1 ARG 22 138.168 -2.083 4.526 166 1HG ARG 22 HG2 ARG 22 135.796 -3.646 5.559 167 2HG ARG 22 HG1 ARG 22 137.433 -3.823 6.178 168 1HD ARG 22 HD2 ARG 22 137.450 -1.555 6.937 169 2HD ARG 22 HD1 ARG 22 135.927 -1.220 6.120 170 HE ARG 22 HE ARG 22 135.592 -3.315 7.975 171 1HH1 ARG 22 HH11 ARG 22 136.159 0.162 7.884 172 2HH1 ARG 22 HH12 ARG 22 135.237 0.504 9.274 173 1HH2 ARG 22 HH21 ARG 22 134.373 -2.883 9.938 174 2HH2 ARG 22 HH22 ARG 22 134.263 -1.278 10.496 175 H ASP 23 HN ASP 23 137.777 0.088 3.117 176 HA ASP 23 HA ASP 23 136.582 1.893 4.949 177 1HB ASP 23 HB2 ASP 23 138.247 2.569 2.521 178 2HB ASP 23 HB1 ASP 23 137.762 3.735 3.744 179 H GLY 24 HN GLY 24 135.592 1.064 1.749 180 1HA GLY 24 HA2 GLY 24 134.013 3.489 1.451 181 2HA GLY 24 HA1 GLY 24 134.117 2.188 0.282 182 H LEU 25 HN LEU 25 133.629 0.067 1.922 183 HA LEU 25 HA LEU 25 130.901 -0.096 2.218 184 1HB LEU 25 HB2 LEU 25 131.841 -2.175 2.274 185 2HB LEU 25 HB1 LEU 25 133.279 -1.615 3.083 186 HG LEU 25 HG LEU 25 130.760 -1.955 4.700 187 1HD1 LEU 25 HD11 LEU 25 131.366 -4.310 5.035 188 2HD1 LEU 25 HD12 LEU 25 132.678 -4.152 3.868 189 3HD1 LEU 25 HD13 LEU 25 131.003 -4.016 3.334 190 1HD2 LEU 25 HD21 LEU 25 132.830 -0.984 5.754 191 2HD2 LEU 25 HD22 LEU 25 133.707 -2.385 5.192 192 3HD2 LEU 25 HD23 LEU 25 132.444 -2.586 6.418 193 H GLU 26 HN GLU 26 133.379 0.792 4.484 194 HA GLU 26 HA GLU 26 131.810 1.342 6.724 195 1HB GLU 26 HB2 GLU 26 134.086 0.971 6.858 196 2HB GLU 26 HB1 GLU 26 134.494 2.248 5.739 197 1HG GLU 26 HG2 GLU 26 135.103 3.043 7.918 198 2HG GLU 26 HG1 GLU 26 133.672 3.928 7.420 199 H ALA 27 HN ALA 27 132.931 3.456 4.026 200 HA ALA 27 HA ALA 27 131.860 5.826 5.137 201 1HB ALA 27 HB1 ALA 27 132.090 6.797 2.909 202 2HB ALA 27 HB2 ALA 27 132.399 5.206 2.223 203 3HB ALA 27 HB3 ALA 27 133.568 5.922 3.322 204 H PHE 28 HN PHE 28 130.567 3.541 2.777 205 HA PHE 28 HA PHE 28 128.201 5.070 2.397 206 1HB PHE 28 HB2 PHE 28 129.229 3.536 0.668 207 2HB PHE 28 HB1 PHE 28 128.602 2.185 1.603 208 HD1 PHE 28 HD1 PHE 28 127.578 5.266 -0.178 209 HD2 PHE 28 HD2 PHE 28 126.406 1.438 1.250 210 HE1 PHE 28 HE1 PHE 28 125.450 5.476 -1.386 211 HE2 PHE 28 HE2 PHE 28 124.272 1.643 0.045 212 HZ PHE 28 HZ PHE 28 123.794 3.666 -1.276 213 H THR 29 HN THR 29 129.007 2.238 4.405 214 HA THR 29 HA THR 29 126.336 1.711 5.096 215 HB THR 29 HB THR 29 128.214 0.049 5.569 216 HG1 THR 29 HG1 THR 29 125.987 0.247 6.827 217 1HG2 THR 29 HG21 THR 29 128.710 1.793 7.993 218 2HG2 THR 29 HG22 THR 29 129.825 1.566 6.646 219 3HG2 THR 29 HG23 THR 29 129.430 0.208 7.702 220 H ARG 30 HN ARG 30 128.684 3.899 6.607 221 HA ARG 30 HA ARG 30 126.837 4.527 8.704 222 1HB ARG 30 HB2 ARG 30 128.468 6.178 9.445 223 2HB ARG 30 HB1 ARG 30 129.238 4.638 9.119 224 1HG ARG 30 HG2 ARG 30 129.866 5.624 6.853 225 2HG ARG 30 HG1 ARG 30 129.395 7.181 7.542 226 1HD ARG 30 HD2 ARG 30 131.489 5.297 8.617 227 2HD ARG 30 HD1 ARG 30 131.778 6.842 7.819 228 HE ARG 30 HE ARG 30 130.559 7.850 9.710 229 1HH1 ARG 30 HH11 ARG 30 132.113 4.650 10.147 230 2HH1 ARG 30 HH12 ARG 30 132.406 4.869 11.797 231 1HH2 ARG 30 HH21 ARG 30 130.979 8.126 12.035 232 2HH2 ARG 30 HH22 ARG 30 131.783 6.878 12.888 233 H PHE 31 HN PHE 31 127.418 5.696 5.549 234 HA PHE 31 HA PHE 31 126.009 8.158 5.787 235 1HB PHE 31 HB2 PHE 31 127.463 7.900 3.894 236 2HB PHE 31 HB1 PHE 31 126.707 6.380 3.437 237 HD1 PHE 31 HD1 PHE 31 126.087 10.028 3.698 238 HD2 PHE 31 HD2 PHE 31 124.936 6.334 1.935 239 HE1 PHE 31 HE1 PHE 31 124.555 11.220 2.189 240 HE2 PHE 31 HE2 PHE 31 123.407 7.520 0.430 241 HZ PHE 31 HZ PHE 31 123.213 9.965 0.560 242 H LEU 32 HN LEU 32 125.192 4.900 4.888 243 HA LEU 32 HA LEU 32 122.496 5.480 4.241 244 1HB LEU 32 HB2 LEU 32 124.130 3.586 3.506 245 2HB LEU 32 HB1 LEU 32 123.544 2.785 4.946 246 HG LEU 32 HG LEU 32 121.279 2.791 4.069 247 1HD1 LEU 32 HD11 LEU 32 120.843 3.589 1.797 248 2HD1 LEU 32 HD12 LEU 32 122.506 4.160 1.669 249 3HD1 LEU 32 HD13 LEU 32 121.402 4.904 2.829 250 1HD2 LEU 32 HD21 LEU 32 121.654 1.296 2.155 251 2HD2 LEU 32 HD22 LEU 32 122.729 0.935 3.506 252 3HD2 LEU 32 HD23 LEU 32 123.346 1.801 2.107 253 H LYS 33 HN LYS 33 124.206 4.339 7.101 254 HA LYS 33 HA LYS 33 121.929 3.680 8.633 255 1HB LYS 33 HB2 LYS 33 124.749 4.327 9.458 256 2HB LYS 33 HB1 LYS 33 123.493 3.923 10.617 257 1HG LYS 33 HG2 LYS 33 123.182 1.768 9.488 258 2HG LYS 33 HG1 LYS 33 124.496 2.182 8.388 259 1HD LYS 33 HD2 LYS 33 126.063 2.238 10.211 260 2HD LYS 33 HD1 LYS 33 124.760 1.998 11.384 261 1HE LYS 33 HE2 LYS 33 124.246 -0.160 10.274 262 2HE LYS 33 HE1 LYS 33 125.658 0.081 9.251 263 1HZ LYS 33 HZ1 LYS 33 127.088 -0.127 11.115 264 2HZ LYS 33 HZ2 LYS 33 125.956 -1.379 11.228 265 3HZ LYS 33 HZ3 LYS 33 125.807 -0.029 12.211 266 H THR 34 HN THR 34 123.629 6.737 8.179 267 HA THR 34 HA THR 34 122.364 7.936 10.402 268 HB THR 34 HB THR 34 124.523 8.817 9.467 269 HG1 THR 34 HG1 THR 34 123.884 11.083 9.607 270 1HG2 THR 34 HG21 THR 34 123.996 8.690 7.078 271 2HG2 THR 34 HG22 THR 34 124.477 10.326 7.530 272 3HG2 THR 34 HG23 THR 34 122.773 9.945 7.275 273 H GLU 35 HN GLU 35 121.285 7.330 7.185 274 HA GLU 35 HA GLU 35 118.972 9.041 7.719 275 1HB GLU 35 HB2 GLU 35 118.389 8.813 5.337 276 2HB GLU 35 HB1 GLU 35 119.969 9.531 5.573 277 1HG GLU 35 HG2 GLU 35 121.061 7.529 4.901 278 2HG GLU 35 HG1 GLU 35 119.538 6.631 4.915 279 H PHE 36 HN PHE 36 119.832 6.097 8.417 280 HA PHE 36 HA PHE 36 118.808 4.194 9.028 281 1HB PHE 36 HB2 PHE 36 116.287 5.850 8.761 282 2HB PHE 36 HB1 PHE 36 116.374 4.276 9.539 283 HD1 PHE 36 HD1 PHE 36 116.915 7.824 9.897 284 HD2 PHE 36 HD2 PHE 36 117.732 4.021 11.620 285 HE1 PHE 36 HE1 PHE 36 117.512 8.918 12.017 286 HE2 PHE 36 HE2 PHE 36 118.329 5.106 13.743 287 HZ PHE 36 HZ PHE 36 118.219 7.560 13.944 288 H SER 37 HN SER 37 119.175 4.783 6.116 289 HA SER 37 HA SER 37 117.116 3.043 4.958 290 1HB SER 37 HB2 SER 37 119.317 4.616 3.585 291 2HB SER 37 HB1 SER 37 117.978 3.785 2.795 292 HG SER 37 HG SER 37 117.966 6.221 3.415 293 H GLU 38 HN GLU 38 119.563 2.474 6.699 294 HA GLU 38 HA GLU 38 121.491 1.104 5.209 295 1HB GLU 38 HB2 GLU 38 122.108 0.097 7.483 296 2HB GLU 38 HB1 GLU 38 122.252 1.825 7.253 297 1HG GLU 38 HG2 GLU 38 121.366 1.336 9.440 298 2HG GLU 38 HG1 GLU 38 120.152 2.157 8.469 299 H GLU 39 HN GLU 39 118.448 0.164 6.140 300 HA GLU 39 HA GLU 39 118.516 -2.573 6.318 301 1HB GLU 39 HB2 GLU 39 116.130 -2.392 5.469 302 2HB GLU 39 HB1 GLU 39 116.534 -1.431 6.887 303 1HG GLU 39 HG2 GLU 39 116.859 0.532 5.382 304 2HG GLU 39 HG1 GLU 39 116.273 -0.457 4.050 305 H ASN 40 HN ASN 40 118.750 -0.570 3.450 306 HA ASN 40 HA ASN 40 118.286 -2.677 1.574 307 1HB ASN 40 HB2 ASN 40 119.646 0.023 1.264 308 2HB ASN 40 HB1 ASN 40 119.427 -1.086 -0.075 309 1HD2 ASN 40 HD21 ASN 40 118.419 1.636 0.322 310 2HD2 ASN 40 HD22 ASN 40 116.709 1.559 0.175 311 H ILE 41 HN ILE 41 121.288 -1.088 2.664 312 HA ILE 41 HA ILE 41 122.937 -2.864 1.216 313 HB ILE 41 HB ILE 41 123.547 -0.511 2.286 314 1HG1 ILE 41 HG12 ILE 41 125.550 -2.794 2.078 315 2HG1 ILE 41 HG11 ILE 41 125.013 -1.721 0.814 316 1HG2 ILE 41 HG21 ILE 41 123.233 -1.036 4.605 317 2HG2 ILE 41 HG22 ILE 41 124.948 -0.721 4.338 318 3HG2 ILE 41 HG23 ILE 41 124.368 -2.376 4.525 319 1HD1 ILE 41 HD11 ILE 41 125.996 0.174 1.963 320 2HD1 ILE 41 HD12 ILE 41 127.181 -1.065 1.554 321 3HD1 ILE 41 HD13 ILE 41 126.611 -0.902 3.223 322 H GLU 42 HN GLU 42 121.624 -2.898 4.476 323 HA GLU 42 HA GLU 42 123.123 -5.172 5.003 324 1HB GLU 42 HB2 GLU 42 121.382 -3.542 6.710 325 2HB GLU 42 HB1 GLU 42 121.684 -5.208 7.207 326 1HG GLU 42 HG2 GLU 42 124.042 -4.860 7.077 327 2HG GLU 42 HG1 GLU 42 123.883 -3.252 6.518 328 H PHE 43 HN PHE 43 120.342 -4.729 3.451 329 HA PHE 43 HA PHE 43 118.973 -7.128 3.885 330 1HB PHE 43 HB2 PHE 43 117.953 -5.452 2.553 331 2HB PHE 43 HB1 PHE 43 119.360 -5.310 1.520 332 HD1 PHE 43 HD1 PHE 43 116.459 -7.282 2.350 333 HD2 PHE 43 HD2 PHE 43 119.660 -6.762 -0.374 334 HE1 PHE 43 HE1 PHE 43 115.335 -8.707 0.788 335 HE2 PHE 43 HE2 PHE 43 118.551 -8.235 -1.976 336 HZ PHE 43 HZ PHE 43 116.375 -9.217 -1.414 337 H TRP 44 HN TRP 44 121.412 -6.199 1.445 338 HA TRP 44 HA TRP 44 121.692 -9.019 1.131 339 1HB TRP 44 HB2 TRP 44 123.402 -8.690 -0.676 340 2HB TRP 44 HB1 TRP 44 121.788 -8.140 -1.009 341 HD1 TRP 44 HD1 TRP 44 121.746 -5.976 -2.257 342 HE1 TRP 44 HE1 TRP 44 123.314 -3.998 -2.567 343 HE3 TRP 44 HE3 TRP 44 125.412 -7.353 1.021 344 HZ2 TRP 44 HZ2 TRP 44 125.774 -3.100 -1.494 345 HZ3 TRP 44 HZ3 TRP 44 127.337 -5.866 1.325 346 HH2 TRP 44 HH2 TRP 44 127.514 -3.787 0.087 347 H ILE 45 HN ILE 45 123.402 -6.819 2.951 348 HA ILE 45 HA ILE 45 125.716 -8.356 3.385 349 HB ILE 45 HB ILE 45 124.198 -6.392 5.057 350 1HG1 ILE 45 HG12 ILE 45 126.957 -6.295 3.856 351 2HG1 ILE 45 HG11 ILE 45 125.511 -5.548 3.199 352 1HG2 ILE 45 HG21 ILE 45 125.055 -7.927 6.701 353 2HG2 ILE 45 HG22 ILE 45 125.713 -6.298 6.790 354 3HG2 ILE 45 HG23 ILE 45 126.715 -7.611 6.127 355 1HD1 ILE 45 HD11 ILE 45 126.936 -3.925 4.261 356 2HD1 ILE 45 HD12 ILE 45 126.873 -4.823 5.780 357 3HD1 ILE 45 HD13 ILE 45 125.411 -4.064 5.139 358 H ALA 46 HN ALA 46 122.455 -8.621 4.693 359 HA ALA 46 HA ALA 46 122.991 -10.701 6.509 360 1HB ALA 46 HB1 ALA 46 120.880 -9.508 6.679 361 2HB ALA 46 HB2 ALA 46 120.540 -11.215 6.281 362 3HB ALA 46 HB3 ALA 46 120.445 -9.994 5.038 363 H CYS 47 HN CYS 47 121.990 -10.624 3.115 364 HA CYS 47 HA CYS 47 121.759 -13.439 2.872 365 1HB CYS 47 HB2 CYS 47 120.584 -11.894 1.360 366 2HB CYS 47 HB1 CYS 47 122.127 -11.407 0.667 367 HG CYS 47 HG CYS 47 121.792 -13.034 -1.267 368 H GLU 48 HN GLU 48 124.477 -11.279 2.553 369 HA GLU 48 HA GLU 48 126.109 -13.209 1.255 370 1HB GLU 48 HB2 GLU 48 126.478 -10.654 1.389 371 2HB GLU 48 HB1 GLU 48 127.159 -10.972 2.982 372 1HG GLU 48 HG2 GLU 48 128.938 -10.856 1.389 373 2HG GLU 48 HG1 GLU 48 128.769 -12.526 1.937 374 H ASP 49 HN ASP 49 125.412 -12.306 4.569 375 HA ASP 49 HA ASP 49 127.279 -14.129 5.732 376 1HB ASP 49 HB2 ASP 49 126.299 -12.127 6.935 377 2HB ASP 49 HB1 ASP 49 124.780 -13.005 7.032 378 H PHE 50 HN PHE 50 124.207 -14.285 4.462 379 HA PHE 50 HA PHE 50 123.359 -16.752 5.483 380 1HB PHE 50 HB2 PHE 50 121.712 -15.289 4.627 381 2HB PHE 50 HB1 PHE 50 122.613 -15.029 3.145 382 HD1 PHE 50 HD1 PHE 50 120.604 -17.443 5.003 383 HD2 PHE 50 HD2 PHE 50 122.207 -16.287 1.274 384 HE1 PHE 50 HE1 PHE 50 119.207 -19.125 3.883 385 HE2 PHE 50 HE2 PHE 50 120.823 -17.949 0.140 386 HZ PHE 50 HZ PHE 50 119.319 -19.372 1.446 387 H LYS 51 HN LYS 51 125.337 -15.806 2.755 388 HA LYS 51 HA LYS 51 125.511 -18.435 1.636 389 1HB LYS 51 HB2 LYS 51 125.991 -16.361 0.337 390 2HB LYS 51 HB1 LYS 51 127.427 -16.112 1.320 391 1HG LYS 51 HG2 LYS 51 128.355 -18.224 0.488 392 2HG LYS 51 HG1 LYS 51 126.922 -18.452 -0.513 393 1HD LYS 51 HD2 LYS 51 128.698 -17.552 -1.861 394 2HD LYS 51 HD1 LYS 51 127.447 -16.327 -1.661 395 1HE LYS 51 HE2 LYS 51 128.777 -15.325 0.162 396 2HE LYS 51 HE1 LYS 51 130.046 -16.507 -0.152 397 1HZ LYS 51 HZ1 LYS 51 129.035 -14.508 -2.087 398 2HZ LYS 51 HZ2 LYS 51 130.292 -15.620 -2.369 399 3HZ LYS 51 HZ3 LYS 51 130.488 -14.405 -1.215 400 H LYS 52 HN LYS 52 127.157 -16.626 4.064 401 HA LYS 52 HA LYS 52 129.382 -18.314 4.565 402 1HB LYS 52 HB2 LYS 52 127.757 -16.624 6.473 403 2HB LYS 52 HB1 LYS 52 129.311 -17.374 6.865 404 1HG LYS 52 HG2 LYS 52 130.401 -15.992 5.224 405 2HG LYS 52 HG1 LYS 52 128.860 -15.302 4.733 406 1HD LYS 52 HD2 LYS 52 130.146 -13.826 6.307 407 2HD LYS 52 HD1 LYS 52 128.550 -14.250 6.905 408 1HE LYS 52 HE2 LYS 52 129.682 -16.117 8.182 409 2HE LYS 52 HE1 LYS 52 131.204 -15.321 7.775 410 1HZ LYS 52 HZ1 LYS 52 130.526 -13.373 8.962 411 2HZ LYS 52 HZ2 LYS 52 130.189 -14.687 9.972 412 3HZ LYS 52 HZ3 LYS 52 128.952 -13.946 9.084 413 H SER 53 HN SER 53 126.042 -18.518 5.251 414 HA SER 53 HA SER 53 126.214 -20.628 7.236 415 1HB SER 53 HB2 SER 53 123.831 -19.303 5.919 416 2HB SER 53 HB1 SER 53 123.828 -20.259 7.402 417 HG SER 53 HG SER 53 124.999 -17.696 6.975 418 H LYS 54 HN LYS 54 127.358 -21.491 4.988 419 HA LYS 54 HA LYS 54 125.738 -22.429 2.890 420 1HB LYS 54 HB2 LYS 54 127.814 -23.800 2.257 421 2HB LYS 54 HB1 LYS 54 127.897 -22.052 2.235 422 1HG LYS 54 HG2 LYS 54 129.926 -22.975 3.155 423 2HG LYS 54 HG1 LYS 54 129.054 -22.089 4.396 424 1HD LYS 54 HD2 LYS 54 128.217 -24.206 5.305 425 2HD LYS 54 HD1 LYS 54 129.096 -25.086 4.049 426 1HE LYS 54 HE2 LYS 54 131.199 -24.223 4.890 427 2HE LYS 54 HE1 LYS 54 130.344 -23.270 6.101 428 1HZ LYS 54 HZ1 LYS 54 131.250 -25.318 7.020 429 2HZ LYS 54 HZ2 LYS 54 130.321 -26.232 5.935 430 3HZ LYS 54 HZ3 LYS 54 129.557 -25.307 7.100 431 H GLY 55 HN GLY 55 125.136 -23.573 5.645 432 1HA GLY 55 HA2 GLY 55 125.233 -26.424 5.108 433 2HA GLY 55 HA1 GLY 55 124.502 -25.646 6.520 434 HA PRO 56 HA PRO 56 121.774 -25.905 2.423 435 1HB PRO 56 HB2 PRO 56 121.279 -28.788 2.980 436 2HB PRO 56 HB1 PRO 56 121.468 -27.955 1.430 437 1HG PRO 56 HG2 PRO 56 123.450 -29.428 2.377 438 2HG PRO 56 HG1 PRO 56 123.787 -27.861 1.614 439 1HD PRO 56 HD2 PRO 56 123.680 -28.564 4.525 440 2HD PRO 56 HD1 PRO 56 124.862 -27.561 3.666 441 H GLN 57 HN GLN 57 121.263 -27.545 5.488 442 HA GLN 57 HA GLN 57 118.418 -27.044 5.393 443 1HB GLN 57 HB2 GLN 57 120.176 -28.064 7.618 444 2HB GLN 57 HB1 GLN 57 118.450 -27.791 7.810 445 1HG GLN 57 HG2 GLN 57 119.667 -29.652 5.777 446 2HG GLN 57 HG1 GLN 57 119.072 -30.153 7.355 447 1HE2 GLN 57 HE21 GLN 57 117.547 -31.495 6.521 448 2HE2 GLN 57 HE22 GLN 57 116.119 -30.963 5.715 449 H GLN 58 HN GLN 58 121.218 -25.655 6.978 450 HA GLN 58 HA GLN 58 119.987 -23.671 8.493 451 1HB GLN 58 HB2 GLN 58 122.355 -24.160 8.742 452 2HB GLN 58 HB1 GLN 58 122.672 -23.700 7.080 453 1HG GLN 58 HG2 GLN 58 123.461 -21.984 8.568 454 2HG GLN 58 HG1 GLN 58 122.102 -21.375 7.635 455 1HE2 GLN 58 HE21 GLN 58 120.149 -21.031 8.685 456 2HE2 GLN 58 HE22 GLN 58 120.040 -20.846 10.405 457 H ILE 59 HN ILE 59 120.777 -23.822 5.099 458 HA ILE 59 HA ILE 59 120.298 -21.249 4.205 459 HB ILE 59 HB ILE 59 119.326 -23.750 2.785 460 1HG1 ILE 59 HG12 ILE 59 121.675 -24.031 3.302 461 2HG1 ILE 59 HG11 ILE 59 121.470 -23.749 1.580 462 1HG2 ILE 59 HG21 ILE 59 120.043 -21.039 1.688 463 2HG2 ILE 59 HG22 ILE 59 118.438 -21.740 1.794 464 3HG2 ILE 59 HG23 ILE 59 119.641 -22.453 0.715 465 1HD1 ILE 59 HD11 ILE 59 123.385 -22.611 2.423 466 2HD1 ILE 59 HD12 ILE 59 122.397 -21.787 3.633 467 3HD1 ILE 59 HD13 ILE 59 122.169 -21.429 1.906 468 H HIS 60 HN HIS 60 117.934 -23.861 4.606 469 HA HIS 60 HA HIS 60 115.620 -22.496 3.760 470 1HB HIS 60 HB2 HIS 60 115.849 -24.719 5.794 471 2HB HIS 60 HB1 HIS 60 114.329 -24.122 5.162 472 HD1 HIS 60 HD1 HIS 60 113.659 -24.884 2.841 473 HD2 HIS 60 HD2 HIS 60 117.351 -26.326 4.026 474 HE1 HIS 60 HE1 HIS 60 114.141 -26.816 1.301 475 HE2 HIS 60 HE2 HIS 60 116.077 -27.918 2.394 476 H LEU 61 HN LEU 61 117.116 -22.689 6.879 477 HA LEU 61 HA LEU 61 115.050 -21.452 8.426 478 1HB LEU 61 HB2 LEU 61 117.980 -21.554 9.022 479 2HB LEU 61 HB1 LEU 61 116.650 -21.448 10.157 480 HG LEU 61 HG LEU 61 117.218 -23.827 8.419 481 1HD1 LEU 61 HD11 LEU 61 118.973 -23.328 9.964 482 2HD1 LEU 61 HD12 LEU 61 118.147 -24.836 10.395 483 3HD1 LEU 61 HD13 LEU 61 117.844 -23.347 11.320 484 1HD2 LEU 61 HD21 LEU 61 114.891 -23.600 9.083 485 2HD2 LEU 61 HD22 LEU 61 115.375 -23.427 10.771 486 3HD2 LEU 61 HD23 LEU 61 115.651 -24.954 9.923 487 H LYS 62 HN LYS 62 118.242 -20.469 7.507 488 HA LYS 62 HA LYS 62 118.163 -17.805 8.422 489 1HB LYS 62 HB2 LYS 62 120.113 -19.465 7.625 490 2HB LYS 62 HB1 LYS 62 119.954 -18.540 6.150 491 1HG LYS 62 HG2 LYS 62 120.573 -17.361 8.864 492 2HG LYS 62 HG1 LYS 62 121.775 -17.775 7.653 493 1HD LYS 62 HD2 LYS 62 120.691 -16.145 6.122 494 2HD LYS 62 HD1 LYS 62 119.606 -15.692 7.438 495 1HE LYS 62 HE2 LYS 62 122.622 -15.512 7.558 496 2HE LYS 62 HE1 LYS 62 121.560 -14.164 7.168 497 1HZ LYS 62 HZ1 LYS 62 120.615 -14.265 9.337 498 2HZ LYS 62 HZ2 LYS 62 122.285 -14.215 9.514 499 3HZ LYS 62 HZ3 LYS 62 121.450 -15.669 9.740 500 H ALA 63 HN ALA 63 117.470 -19.186 5.197 501 HA ALA 63 HA ALA 63 117.126 -16.725 3.836 502 1HB ALA 63 HB1 ALA 63 115.870 -18.031 2.167 503 2HB ALA 63 HB2 ALA 63 115.892 -19.409 3.267 504 3HB ALA 63 HB3 ALA 63 117.408 -18.800 2.587 505 H LYS 64 HN LYS 64 114.890 -18.925 5.416 506 HA LYS 64 HA LYS 64 112.494 -17.611 4.846 507 1HB LYS 64 HB2 LYS 64 112.815 -19.885 5.896 508 2HB LYS 64 HB1 LYS 64 113.151 -19.063 7.407 509 1HG LYS 64 HG2 LYS 64 110.886 -19.860 7.391 510 2HG LYS 64 HG1 LYS 64 110.888 -18.093 7.348 511 1HD LYS 64 HD2 LYS 64 110.381 -18.067 5.025 512 2HD LYS 64 HD1 LYS 64 110.668 -19.801 4.879 513 1HE LYS 64 HE2 LYS 64 108.327 -19.364 4.870 514 2HE LYS 64 HE1 LYS 64 108.753 -20.231 6.342 515 1HZ LYS 64 HZ1 LYS 64 108.021 -17.363 6.051 516 2HZ LYS 64 HZ2 LYS 64 108.744 -17.908 7.450 517 3HZ LYS 64 HZ3 LYS 64 107.245 -18.531 6.954 518 H ALA 65 HN ALA 65 114.854 -17.101 7.376 519 HA ALA 65 HA ALA 65 113.422 -15.209 8.892 520 1HB ALA 65 HB1 ALA 65 115.581 -14.681 9.910 521 2HB ALA 65 HB2 ALA 65 116.412 -15.562 8.628 522 3HB ALA 65 HB3 ALA 65 115.373 -16.427 9.761 523 H ILE 66 HN ILE 66 115.951 -14.785 6.426 524 HA ILE 66 HA ILE 66 115.832 -11.961 6.363 525 HB ILE 66 HB ILE 66 116.841 -13.945 4.288 526 1HG1 ILE 66 HG12 ILE 66 118.291 -12.247 6.322 527 2HG1 ILE 66 HG11 ILE 66 117.992 -13.973 6.453 528 1HG2 ILE 66 HG21 ILE 66 116.300 -11.788 3.210 529 2HG2 ILE 66 HG22 ILE 66 118.024 -12.144 3.228 530 3HG2 ILE 66 HG23 ILE 66 117.364 -10.963 4.370 531 1HD1 ILE 66 HD11 ILE 66 120.279 -13.258 5.745 532 2HD1 ILE 66 HD12 ILE 66 119.577 -12.767 4.204 533 3HD1 ILE 66 HD13 ILE 66 119.511 -14.465 4.716 534 H TYR 67 HN TYR 67 114.147 -14.430 4.591 535 HA TYR 67 HA TYR 67 112.753 -12.958 2.672 536 1HB TYR 67 HB2 TYR 67 112.796 -15.397 2.764 537 2HB TYR 67 HB1 TYR 67 111.924 -15.375 4.286 538 HD1 TYR 67 HD1 TYR 67 111.607 -14.253 0.776 539 HD2 TYR 67 HD2 TYR 67 109.643 -15.684 4.246 540 HE1 TYR 67 HE1 TYR 67 109.570 -14.368 -0.482 541 HE2 TYR 67 HE2 TYR 67 107.533 -15.849 3.007 542 HH TYR 67 HH TYR 67 106.501 -14.817 1.010 543 H GLU 68 HN GLU 68 111.641 -13.907 5.915 544 HA GLU 68 HA GLU 68 109.254 -12.412 5.794 545 1HB GLU 68 HB2 GLU 68 110.747 -13.583 8.112 546 2HB GLU 68 HB1 GLU 68 109.148 -12.868 8.222 547 1HG GLU 68 HG2 GLU 68 108.284 -14.530 6.679 548 2HG GLU 68 HG1 GLU 68 109.891 -15.246 6.539 549 H LYS 69 HN LYS 69 112.448 -11.609 6.832 550 HA LYS 69 HA LYS 69 111.569 -9.297 8.328 551 1HB LYS 69 HB2 LYS 69 113.393 -10.673 9.163 552 2HB LYS 69 HB1 LYS 69 114.323 -10.359 7.713 553 1HG LYS 69 HG2 LYS 69 114.535 -8.039 8.308 554 2HG LYS 69 HG1 LYS 69 113.520 -8.281 9.740 555 1HD LYS 69 HD2 LYS 69 115.181 -9.864 10.617 556 2HD LYS 69 HD1 LYS 69 116.182 -9.594 9.189 557 1HE LYS 69 HE2 LYS 69 116.401 -7.242 9.782 558 2HE LYS 69 HE1 LYS 69 115.378 -7.497 11.197 559 1HZ LYS 69 HZ1 LYS 69 117.690 -7.498 11.804 560 2HZ LYS 69 HZ2 LYS 69 118.039 -8.724 10.704 561 3HZ LYS 69 HZ3 LYS 69 117.052 -9.047 12.046 562 H PHE 70 HN PHE 70 112.367 -9.906 5.054 563 HA PHE 70 HA PHE 70 112.868 -7.065 4.620 564 1HB PHE 70 HB2 PHE 70 114.725 -9.277 3.761 565 2HB PHE 70 HB1 PHE 70 114.730 -7.689 3.013 566 HD1 PHE 70 HD1 PHE 70 115.040 -5.686 4.673 567 HD2 PHE 70 HD2 PHE 70 116.124 -9.711 5.518 568 HE1 PHE 70 HE1 PHE 70 116.635 -4.893 6.365 569 HE2 PHE 70 HE2 PHE 70 117.718 -8.927 7.218 570 HZ PHE 70 HZ PHE 70 117.975 -6.515 7.642 571 H ILE 71 HN ILE 71 112.638 -10.191 2.959 572 HA ILE 71 HA ILE 71 111.985 -9.123 0.430 573 HB ILE 71 HB ILE 71 111.538 -11.916 1.549 574 1HG1 ILE 71 HG12 ILE 71 113.844 -11.266 1.565 575 2HG1 ILE 71 HG11 ILE 71 113.585 -12.442 0.281 576 1HG2 ILE 71 HG21 ILE 71 111.705 -11.333 -1.412 577 2HG2 ILE 71 HG22 ILE 71 110.158 -11.305 -0.553 578 3HG2 ILE 71 HG23 ILE 71 111.107 -12.784 -0.574 579 1HD1 ILE 71 HD11 ILE 71 113.855 -9.459 -0.067 580 2HD1 ILE 71 HD12 ILE 71 113.545 -10.584 -1.367 581 3HD1 ILE 71 HD13 ILE 71 115.060 -10.668 -0.480 582 H GLN 72 HN GLN 72 110.126 -9.765 3.196 583 HA GLN 72 HA GLN 72 107.589 -9.907 1.904 584 1HB GLN 72 HB2 GLN 72 108.256 -9.291 4.759 585 2HB GLN 72 HB1 GLN 72 106.621 -9.486 4.118 586 1HG GLN 72 HG2 GLN 72 108.732 -11.425 3.835 587 2HG GLN 72 HG1 GLN 72 107.696 -11.428 5.294 588 1HE2 GLN 72 HE21 GLN 72 106.663 -13.377 4.905 589 2HE2 GLN 72 HE22 GLN 72 105.732 -13.777 3.510 590 H THR 73 HN THR 73 105.980 -8.522 2.605 591 HA THR 73 HA THR 73 106.648 -5.705 2.049 592 HB THR 73 HB THR 73 104.050 -7.223 1.733 593 HG1 THR 73 HG1 THR 73 105.502 -7.929 0.251 594 1HG2 THR 73 HG21 THR 73 103.309 -5.247 0.455 595 2HG2 THR 73 HG22 THR 73 104.837 -4.435 0.860 596 3HG2 THR 73 HG23 THR 73 103.698 -4.887 2.141 597 H ASP 74 HN ASP 74 104.668 -7.845 3.990 598 HA ASP 74 HA ASP 74 104.023 -5.797 5.964 599 1HB ASP 74 HB2 ASP 74 102.693 -7.467 7.083 600 2HB ASP 74 HB1 ASP 74 102.395 -7.637 5.360 601 H ALA 75 HN ALA 75 106.757 -6.905 5.350 602 HA ALA 75 HA ALA 75 107.852 -8.360 7.491 603 1HB ALA 75 HB1 ALA 75 109.993 -7.363 6.725 604 2HB ALA 75 HB2 ALA 75 109.115 -6.396 5.542 605 3HB ALA 75 HB3 ALA 75 109.063 -8.184 5.473 606 HA PRO 76 HA PRO 76 108.421 -5.442 10.863 607 1HB PRO 76 HB2 PRO 76 111.224 -5.625 11.143 608 2HB PRO 76 HB1 PRO 76 110.034 -6.602 12.005 609 1HG PRO 76 HG2 PRO 76 111.647 -7.262 9.601 610 2HG PRO 76 HG1 PRO 76 111.073 -8.321 10.898 611 1HD PRO 76 HD2 PRO 76 109.957 -8.312 8.459 612 2HD PRO 76 HD1 PRO 76 108.984 -8.589 9.909 613 H LYS 77 HN LYS 77 110.575 -5.372 8.116 614 HA LYS 77 HA LYS 77 110.272 -2.494 8.145 615 1HB LYS 77 HB2 LYS 77 112.754 -3.976 7.225 616 2HB LYS 77 HB1 LYS 77 112.471 -2.258 6.980 617 1HG LYS 77 HG2 LYS 77 112.339 -1.989 9.446 618 2HG LYS 77 HG1 LYS 77 112.795 -3.685 9.607 619 1HD LYS 77 HD2 LYS 77 114.881 -3.233 8.424 620 2HD LYS 77 HD1 LYS 77 114.414 -1.539 8.252 621 1HE LYS 77 HE2 LYS 77 114.336 -1.347 10.710 622 2HE LYS 77 HE1 LYS 77 114.894 -3.016 10.834 623 1HZ LYS 77 HZ1 LYS 77 116.885 -2.348 9.585 624 2HZ LYS 77 HZ2 LYS 77 116.776 -1.525 11.048 625 3HZ LYS 77 HZ3 LYS 77 116.346 -0.754 9.607 626 H GLU 78 HN GLU 78 111.912 -3.991 5.486 627 HA GLU 78 HA GLU 78 110.185 -5.091 3.819 628 1HB GLU 78 HB2 GLU 78 108.804 -2.865 4.220 629 2HB GLU 78 HB1 GLU 78 110.036 -2.109 3.227 630 1HG GLU 78 HG2 GLU 78 109.457 -3.715 1.412 631 2HG GLU 78 HG1 GLU 78 108.129 -4.292 2.416 632 H VAL 79 HN VAL 79 110.966 -4.483 1.439 633 HA VAL 79 HA VAL 79 113.563 -3.128 1.443 634 HB VAL 79 HB VAL 79 113.010 -5.730 -0.051 635 1HG1 VAL 79 HG11 VAL 79 115.531 -4.073 0.107 636 2HG1 VAL 79 HG12 VAL 79 114.481 -4.219 -1.304 637 3HG1 VAL 79 HG13 VAL 79 115.369 -5.626 -0.714 638 1HG2 VAL 79 HG21 VAL 79 114.904 -5.184 2.200 639 2HG2 VAL 79 HG22 VAL 79 114.681 -6.724 1.346 640 3HG2 VAL 79 HG23 VAL 79 113.380 -6.054 2.324 641 H ASN 80 HN ASN 80 113.873 -1.883 -0.301 642 HA ASN 80 HA ASN 80 111.681 -1.290 -2.089 643 1HB ASN 80 HB2 ASN 80 114.584 -0.385 -2.203 644 2HB ASN 80 HB1 ASN 80 113.252 0.327 -3.095 645 1HD2 ASN 80 HD21 ASN 80 114.872 0.098 0.008 646 2HD2 ASN 80 HD22 ASN 80 113.949 1.351 0.742 647 H LEU 81 HN LEU 81 112.018 -3.812 -2.451 648 HA LEU 81 HA LEU 81 114.015 -4.446 -4.457 649 1HB LEU 81 HB2 LEU 81 113.946 -5.877 -2.668 650 2HB LEU 81 HB1 LEU 81 112.193 -6.139 -2.742 651 HG LEU 81 HG LEU 81 112.782 -7.323 -5.009 652 1HD1 LEU 81 HD11 LEU 81 115.468 -7.144 -3.800 653 2HD1 LEU 81 HD12 LEU 81 114.898 -6.366 -5.294 654 3HD1 LEU 81 HD13 LEU 81 114.962 -8.133 -5.167 655 1HD2 LEU 81 HD21 LEU 81 113.797 -8.510 -2.401 656 2HD2 LEU 81 HD22 LEU 81 113.401 -9.383 -3.872 657 3HD2 LEU 81 HD23 LEU 81 112.134 -8.552 -2.980 658 H ASP 82 HN ASP 82 113.598 -5.032 -6.397 659 HA ASP 82 HA ASP 82 111.489 -4.357 -7.977 660 1HB ASP 82 HB2 ASP 82 113.594 -5.022 -8.887 661 2HB ASP 82 HB1 ASP 82 113.435 -6.638 -8.219 662 H PHE 83 HN PHE 83 109.555 -5.086 -8.363 663 HA PHE 83 HA PHE 83 108.147 -6.804 -6.721 664 1HB PHE 83 HB2 PHE 83 107.111 -5.039 -8.031 665 2HB PHE 83 HB1 PHE 83 107.505 -5.874 -9.522 666 HD1 PHE 83 HD1 PHE 83 105.503 -6.156 -6.413 667 HD2 PHE 83 HD2 PHE 83 105.994 -7.378 -10.457 668 HE1 PHE 83 HE1 PHE 83 103.293 -7.238 -6.352 669 HE2 PHE 83 HE2 PHE 83 103.790 -8.463 -10.404 670 HZ PHE 83 HZ PHE 83 102.435 -8.393 -8.348 671 H HIS 84 HN HIS 84 109.473 -7.499 -9.955 672 HA HIS 84 HA HIS 84 108.409 -10.150 -9.993 673 1HB HIS 84 HB2 HIS 84 108.949 -9.086 -12.117 674 2HB HIS 84 HB1 HIS 84 110.641 -8.950 -11.659 675 HD1 HIS 84 HD1 HIS 84 108.070 -11.683 -12.375 676 HD2 HIS 84 HD2 HIS 84 112.184 -11.076 -12.453 677 HE1 HIS 84 HE1 HIS 84 109.044 -13.762 -13.377 678 HE2 HIS 84 HE2 HIS 84 111.524 -13.479 -13.140 679 H THR 85 HN THR 85 111.443 -8.812 -8.975 680 HA THR 85 HA THR 85 112.770 -11.246 -8.544 681 HB THR 85 HB THR 85 113.149 -8.606 -7.119 682 HG1 THR 85 HG1 THR 85 113.349 -8.436 -9.392 683 1HG2 THR 85 HG21 THR 85 115.453 -9.428 -6.710 684 2HG2 THR 85 HG22 THR 85 115.059 -10.970 -7.453 685 3HG2 THR 85 HG23 THR 85 114.270 -10.467 -5.950 686 H LYS 86 HN LYS 86 110.907 -9.211 -6.322 687 HA LYS 86 HA LYS 86 110.911 -10.753 -3.999 688 1HB LYS 86 HB2 LYS 86 108.497 -9.299 -5.156 689 2HB LYS 86 HB1 LYS 86 108.687 -9.906 -3.518 690 1HG LYS 86 HG2 LYS 86 110.274 -8.289 -2.967 691 2HG LYS 86 HG1 LYS 86 110.485 -7.811 -4.655 692 1HD LYS 86 HD2 LYS 86 109.118 -6.179 -3.446 693 2HD LYS 86 HD1 LYS 86 108.201 -6.963 -4.723 694 1HE LYS 86 HE2 LYS 86 106.759 -6.810 -2.831 695 2HE LYS 86 HE1 LYS 86 107.243 -8.494 -2.961 696 1HZ LYS 86 HZ1 LYS 86 108.477 -6.518 -1.125 697 2HZ LYS 86 HZ2 LYS 86 108.743 -8.207 -1.077 698 3HZ LYS 86 HZ3 LYS 86 107.246 -7.565 -0.696 699 H GLU 87 HN GLU 87 108.843 -11.000 -6.824 700 HA GLU 87 HA GLU 87 107.100 -13.025 -6.111 701 1HB GLU 87 HB2 GLU 87 106.780 -11.711 -8.076 702 2HB GLU 87 HB1 GLU 87 108.279 -12.302 -8.775 703 1HG GLU 87 HG2 GLU 87 107.285 -14.569 -8.835 704 2HG GLU 87 HG1 GLU 87 105.763 -13.862 -8.284 705 H VAL 88 HN VAL 88 110.193 -13.343 -7.833 706 HA VAL 88 HA VAL 88 109.981 -16.131 -8.084 707 HB VAL 88 HB VAL 88 112.555 -14.524 -8.086 708 1HG1 VAL 88 HG11 VAL 88 111.823 -17.176 -9.284 709 2HG1 VAL 88 HG12 VAL 88 112.872 -16.930 -7.891 710 3HG1 VAL 88 HG13 VAL 88 113.381 -16.369 -9.494 711 1HG2 VAL 88 HG21 VAL 88 110.960 -13.604 -9.692 712 2HG2 VAL 88 HG22 VAL 88 110.699 -15.206 -10.373 713 3HG2 VAL 88 HG23 VAL 88 112.275 -14.432 -10.525 714 H ILE 89 HN ILE 89 111.437 -14.112 -5.625 715 HA ILE 89 HA ILE 89 112.615 -16.158 -4.080 716 HB ILE 89 HB ILE 89 111.468 -13.522 -3.119 717 1HG1 ILE 89 HG12 ILE 89 114.290 -14.197 -3.974 718 2HG1 ILE 89 HG11 ILE 89 113.134 -13.283 -4.936 719 1HG2 ILE 89 HG21 ILE 89 113.578 -15.280 -1.831 720 2HG2 ILE 89 HG22 ILE 89 111.893 -15.162 -1.324 721 3HG2 ILE 89 HG23 ILE 89 112.927 -13.753 -1.206 722 1HD1 ILE 89 HD11 ILE 89 114.421 -12.503 -2.350 723 2HD1 ILE 89 HD12 ILE 89 113.036 -11.670 -2.992 724 3HD1 ILE 89 HD13 ILE 89 114.557 -11.689 -3.916 725 H THR 90 HN THR 90 109.394 -14.622 -3.934 726 HA THR 90 HA THR 90 108.495 -16.077 -1.729 727 HB THR 90 HB THR 90 106.164 -15.482 -2.435 728 HG1 THR 90 HG1 THR 90 107.444 -15.002 -4.840 729 1HG2 THR 90 HG21 THR 90 108.160 -13.220 -2.640 730 2HG2 THR 90 HG22 THR 90 107.468 -13.864 -1.152 731 3HG2 THR 90 HG23 THR 90 106.435 -13.037 -2.318 732 H ASN 91 HN ASN 91 108.829 -17.097 -5.016 733 HA ASN 91 HA ASN 91 107.202 -19.483 -4.525 734 1HB ASN 91 HB2 ASN 91 108.528 -18.510 -7.054 735 2HB ASN 91 HB1 ASN 91 107.719 -20.063 -6.918 736 1HD2 ASN 91 HD21 ASN 91 107.356 -16.687 -7.278 737 2HD2 ASN 91 HD22 ASN 91 105.645 -16.682 -7.433 738 H SER 92 HN SER 92 110.432 -18.562 -4.242 739 HA SER 92 HA SER 92 111.191 -21.383 -4.361 740 1HB SER 92 HB2 SER 92 112.096 -20.120 -6.294 741 2HB SER 92 HB1 SER 92 112.930 -19.040 -5.177 742 HG SER 92 HG SER 92 113.951 -20.990 -4.347 743 H ILE 93 HN ILE 93 110.414 -19.409 -2.139 744 HA ILE 93 HA ILE 93 112.843 -19.441 -0.576 745 HB ILE 93 HB ILE 93 111.205 -17.556 -0.292 746 1HG1 ILE 93 HG12 ILE 93 111.227 -17.463 2.156 747 2HG1 ILE 93 HG11 ILE 93 111.662 -19.161 2.244 748 1HG2 ILE 93 HG21 ILE 93 109.137 -18.738 -0.536 749 2HG2 ILE 93 HG22 ILE 93 109.149 -17.903 1.023 750 3HG2 ILE 93 HG23 ILE 93 109.444 -19.649 0.935 751 1HD1 ILE 93 HD11 ILE 93 113.758 -18.596 0.979 752 2HD1 ILE 93 HD12 ILE 93 113.649 -17.808 2.540 753 3HD1 ILE 93 HD13 ILE 93 113.281 -16.900 1.073 754 H THR 94 HN THR 94 110.009 -21.311 -0.995 755 HA THR 94 HA THR 94 110.221 -23.039 1.211 756 HB THR 94 HB THR 94 108.195 -22.905 -0.209 757 HG1 THR 94 HG1 THR 94 108.916 -24.911 0.958 758 1HG2 THR 94 HG21 THR 94 109.852 -24.330 -2.303 759 2HG2 THR 94 HG22 THR 94 109.274 -22.665 -2.392 760 3HG2 THR 94 HG23 THR 94 108.118 -24.001 -2.412 761 H GLN 95 HN GLN 95 112.167 -22.737 -1.588 762 HA GLN 95 HA GLN 95 113.829 -24.960 -0.823 763 1HB GLN 95 HB2 GLN 95 112.699 -24.699 -3.628 764 2HB GLN 95 HB1 GLN 95 114.045 -25.739 -3.205 765 1HG GLN 95 HG2 GLN 95 112.611 -27.051 -1.767 766 2HG GLN 95 HG1 GLN 95 111.259 -25.972 -2.105 767 1HE2 GLN 95 HE21 GLN 95 110.048 -27.619 -2.915 768 2HE2 GLN 95 HE22 GLN 95 110.336 -28.324 -4.467 769 HA PRO 96 HA PRO 96 115.992 -21.112 -2.043 770 1HB PRO 96 HB2 PRO 96 117.333 -20.734 0.239 771 2HB PRO 96 HB1 PRO 96 115.618 -20.329 0.092 772 1HG PRO 96 HG2 PRO 96 116.902 -22.715 1.341 773 2HG PRO 96 HG1 PRO 96 115.529 -21.753 1.913 774 1HD PRO 96 HD2 PRO 96 115.289 -24.154 0.566 775 2HD PRO 96 HD1 PRO 96 114.049 -22.900 0.641 776 H THR 97 HN THR 97 118.421 -20.569 -1.825 777 HA THR 97 HA THR 97 120.230 -22.876 -1.980 778 HB THR 97 HB THR 97 121.271 -21.800 -4.017 779 HG1 THR 97 HG1 THR 97 120.493 -20.027 -4.631 780 1HG2 THR 97 HG21 THR 97 119.695 -22.807 -5.622 781 2HG2 THR 97 HG22 THR 97 118.486 -22.912 -4.328 782 3HG2 THR 97 HG23 THR 97 119.994 -23.827 -4.210 783 H LEU 98 HN LEU 98 122.527 -21.803 -2.521 784 HA LEU 98 HA LEU 98 123.276 -20.578 -0.150 785 1HB LEU 98 HB2 LEU 98 124.586 -21.783 -2.139 786 2HB LEU 98 HB1 LEU 98 125.015 -20.117 -2.484 787 HG LEU 98 HG LEU 98 125.880 -19.878 -0.198 788 1HD1 LEU 98 HD11 LEU 98 124.412 -21.525 0.851 789 2HD1 LEU 98 HD12 LEU 98 126.107 -21.905 1.185 790 3HD1 LEU 98 HD13 LEU 98 125.208 -22.806 -0.043 791 1HD2 LEU 98 HD21 LEU 98 126.987 -22.235 -1.722 792 2HD2 LEU 98 HD22 LEU 98 127.850 -21.299 -0.498 793 3HD2 LEU 98 HD23 LEU 98 127.375 -20.541 -2.022 794 H HIS 99 HN HIS 99 122.489 -19.015 -3.205 795 HA HIS 99 HA HIS 99 122.172 -16.568 -1.659 796 1HB HIS 99 HB2 HIS 99 123.889 -16.873 -4.030 797 2HB HIS 99 HB1 HIS 99 122.643 -15.654 -4.262 798 HD1 HIS 99 HD1 HIS 99 123.843 -13.417 -3.938 799 HD2 HIS 99 HD2 HIS 99 124.948 -16.227 -1.056 800 HE1 HIS 99 HE1 HIS 99 125.308 -12.216 -2.363 801 HE2 HIS 99 HE2 HIS 99 126.260 -13.961 -0.907 802 H SER 100 HN SER 100 120.184 -17.416 -1.349 803 HA SER 100 HA SER 100 118.351 -18.087 -3.389 804 1HB SER 100 HB2 SER 100 117.785 -16.994 -0.627 805 2HB SER 100 HB1 SER 100 116.663 -17.888 -1.652 806 HG SER 100 HG SER 100 119.163 -19.007 -0.845 807 H PHE 101 HN PHE 101 119.367 -15.133 -1.998 808 HA PHE 101 HA PHE 101 117.221 -13.632 -3.276 809 1HB PHE 101 HB2 PHE 101 119.254 -12.680 -1.251 810 2HB PHE 101 HB1 PHE 101 117.754 -11.887 -1.717 811 HD1 PHE 101 HD1 PHE 101 115.567 -12.963 -1.045 812 HD2 PHE 101 HD2 PHE 101 119.311 -14.277 0.479 813 HE1 PHE 101 HE1 PHE 101 114.421 -14.114 0.808 814 HE2 PHE 101 HE2 PHE 101 118.164 -15.426 2.327 815 HZ PHE 101 HZ PHE 101 115.719 -15.343 2.484 816 H ASP 102 HN ASP 102 119.787 -14.859 -4.455 817 HA ASP 102 HA ASP 102 121.827 -13.144 -5.036 818 1HB ASP 102 HB2 ASP 102 121.829 -15.450 -5.780 819 2HB ASP 102 HB1 ASP 102 120.535 -15.116 -6.921 820 H ALA 103 HN ALA 103 118.771 -13.289 -6.845 821 HA ALA 103 HA ALA 103 119.516 -11.285 -8.741 822 1HB ALA 103 HB1 ALA 103 117.223 -11.340 -9.446 823 2HB ALA 103 HB2 ALA 103 116.717 -12.084 -7.950 824 3HB ALA 103 HB3 ALA 103 117.712 -13.003 -9.097 825 H ALA 104 HN ALA 104 118.097 -11.310 -5.643 826 HA ALA 104 HA ALA 104 117.074 -8.651 -5.736 827 1HB ALA 104 HB1 ALA 104 115.935 -10.297 -4.453 828 2HB ALA 104 HB2 ALA 104 116.516 -9.047 -3.348 829 3HB ALA 104 HB3 ALA 104 117.350 -10.606 -3.440 830 H GLN 105 HN GLN 105 120.062 -10.160 -4.763 831 HA GLN 105 HA GLN 105 121.215 -7.977 -3.384 832 1HB GLN 105 HB2 GLN 105 122.338 -10.264 -4.914 833 2HB GLN 105 HB1 GLN 105 123.420 -8.912 -4.603 834 1HG GLN 105 HG2 GLN 105 123.758 -10.599 -2.972 835 2HG GLN 105 HG1 GLN 105 122.962 -9.236 -2.199 836 1HE2 GLN 105 HE21 GLN 105 120.821 -9.467 -1.542 837 2HE2 GLN 105 HE22 GLN 105 120.083 -11.020 -1.386 838 H SER 106 HN SER 106 121.225 -8.866 -6.792 839 HA SER 106 HA SER 106 122.611 -6.710 -7.812 840 1HB SER 106 HB2 SER 106 120.322 -8.199 -9.098 841 2HB SER 106 HB1 SER 106 121.660 -7.382 -9.916 842 HG SER 106 HG SER 106 121.811 -9.742 -9.620 843 H ARG 107 HN ARG 107 119.160 -7.144 -7.170 844 HA ARG 107 HA ARG 107 118.194 -4.727 -8.224 845 1HB ARG 107 HB2 ARG 107 117.100 -6.370 -5.956 846 2HB ARG 107 HB1 ARG 107 116.258 -5.033 -6.723 847 1HG ARG 107 HG2 ARG 107 117.069 -7.634 -7.997 848 2HG ARG 107 HG1 ARG 107 115.435 -7.063 -7.600 849 1HD ARG 107 HD2 ARG 107 115.617 -5.266 -9.186 850 2HD ARG 107 HD1 ARG 107 117.307 -5.651 -9.494 851 HE ARG 107 HE ARG 107 116.007 -7.919 -10.178 852 1HH1 ARG 107 HH11 ARG 107 115.572 -4.539 -11.066 853 2HH1 ARG 107 HH12 ARG 107 115.092 -4.839 -12.662 854 1HH2 ARG 107 HH21 ARG 107 115.298 -8.397 -12.364 855 2HH2 ARG 107 HH22 ARG 107 114.918 -7.117 -13.419 856 H VAL 108 HN VAL 108 119.166 -5.463 -4.932 857 HA VAL 108 HA VAL 108 118.628 -2.802 -4.109 858 HB VAL 108 HB VAL 108 120.032 -5.074 -2.689 859 1HG1 VAL 108 HG11 VAL 108 119.747 -3.767 -0.659 860 2HG1 VAL 108 HG12 VAL 108 119.099 -2.421 -1.598 861 3HG1 VAL 108 HG13 VAL 108 120.786 -2.905 -1.793 862 1HG2 VAL 108 HG21 VAL 108 117.712 -5.433 -3.211 863 2HG2 VAL 108 HG22 VAL 108 117.290 -3.883 -2.494 864 3HG2 VAL 108 HG23 VAL 108 117.913 -5.187 -1.471 865 H TYR 109 HN TYR 109 121.514 -4.482 -5.152 866 HA TYR 109 HA TYR 109 123.379 -2.526 -4.500 867 1HB TYR 109 HB2 TYR 109 124.324 -4.511 -5.236 868 2HB TYR 109 HB1 TYR 109 123.247 -4.664 -6.606 869 HD1 TYR 109 HD1 TYR 109 123.711 -3.283 -8.654 870 HD2 TYR 109 HD2 TYR 109 126.428 -3.363 -5.386 871 HE1 TYR 109 HE1 TYR 109 125.372 -2.282 -10.065 872 HE2 TYR 109 HE2 TYR 109 128.157 -2.344 -6.809 873 HH TYR 109 HH TYR 109 127.466 -0.787 -9.577 874 H GLN 110 HN GLN 110 121.482 -2.867 -7.519 875 HA GLN 110 HA GLN 110 122.532 -0.456 -8.629 876 1HB GLN 110 HB2 GLN 110 120.663 -0.657 -10.308 877 2HB GLN 110 HB1 GLN 110 121.704 -2.067 -10.196 878 1HG GLN 110 HG2 GLN 110 120.113 -3.264 -8.981 879 2HG GLN 110 HG1 GLN 110 119.116 -1.849 -8.720 880 1HE2 GLN 110 HE21 GLN 110 120.126 -4.304 -10.928 881 2HE2 GLN 110 HE22 GLN 110 118.883 -4.074 -12.098 882 H LEU 111 HN LEU 111 119.692 -1.274 -6.796 883 HA LEU 111 HA LEU 111 118.198 1.022 -6.810 884 1HB LEU 111 HB2 LEU 111 117.609 -1.043 -5.687 885 2HB LEU 111 HB1 LEU 111 118.918 -0.826 -4.553 886 HG LEU 111 HG LEU 111 117.740 1.215 -3.732 887 1HD1 LEU 111 HD11 LEU 111 115.355 1.413 -4.240 888 2HD1 LEU 111 HD12 LEU 111 115.509 0.106 -5.419 889 3HD1 LEU 111 HD13 LEU 111 116.351 1.633 -5.683 890 1HD2 LEU 111 HD21 LEU 111 117.714 -0.892 -2.564 891 2HD2 LEU 111 HD22 LEU 111 116.379 -1.455 -3.558 892 3HD2 LEU 111 HD23 LEU 111 116.132 -0.116 -2.428 893 H MET 112 HN MET 112 120.803 0.154 -4.557 894 HA MET 112 HA MET 112 120.914 2.717 -3.389 895 1HB MET 112 HB2 MET 112 122.931 0.483 -3.363 896 2HB MET 112 HB1 MET 112 123.092 1.964 -2.430 897 1HG MET 112 HG2 MET 112 121.027 1.439 -1.242 898 2HG MET 112 HG1 MET 112 120.871 -0.046 -2.179 899 1HE MET 112 HE1 MET 112 122.589 -2.080 -2.008 900 2HE MET 112 HE2 MET 112 124.049 -2.033 -1.019 901 3HE MET 112 HE3 MET 112 123.890 -0.958 -2.402 902 H GLU 113 HN GLU 113 122.696 1.241 -6.041 903 HA GLU 113 HA GLU 113 124.628 3.223 -6.341 904 1HB GLU 113 HB2 GLU 113 124.667 1.029 -7.518 905 2HB GLU 113 HB1 GLU 113 123.345 1.569 -8.540 906 1HG GLU 113 HG2 GLU 113 124.769 3.310 -9.479 907 2HG GLU 113 HG1 GLU 113 126.086 2.820 -8.419 908 H GLN 114 HN GLN 114 121.725 2.954 -8.418 909 HA GLN 114 HA GLN 114 122.182 5.592 -9.374 910 1HB GLN 114 HB2 GLN 114 120.055 5.278 -10.694 911 2HB GLN 114 HB1 GLN 114 121.343 4.133 -10.996 912 1HG GLN 114 HG2 GLN 114 119.384 2.837 -10.999 913 2HG GLN 114 HG1 GLN 114 120.124 2.585 -9.420 914 1HE2 GLN 114 HE21 GLN 114 119.003 3.179 -7.577 915 2HE2 GLN 114 HE22 GLN 114 117.382 3.764 -7.642 916 H ASP 115 HN ASP 115 120.861 4.788 -6.554 917 HA ASP 115 HA ASP 115 119.249 7.265 -6.561 918 1HB ASP 115 HB2 ASP 115 117.799 5.341 -6.270 919 2HB ASP 115 HB1 ASP 115 118.741 4.816 -4.880 920 H SER 116 HN SER 116 121.140 5.221 -4.327 921 HA SER 116 HA SER 116 121.255 7.436 -2.461 922 1HB SER 116 HB2 SER 116 120.615 5.186 -1.683 923 2HB SER 116 HB1 SER 116 122.175 4.564 -2.203 924 HG SER 116 HG SER 116 121.839 6.643 -0.311 925 H TYR 117 HN TYR 117 123.383 5.714 -4.702 926 HA TYR 117 HA TYR 117 125.835 6.314 -3.489 927 1HB TYR 117 HB2 TYR 117 125.837 4.563 -4.928 928 2HB TYR 117 HB1 TYR 117 124.851 5.414 -6.127 929 HD1 TYR 117 HD1 TYR 117 125.815 6.386 -7.957 930 HD2 TYR 117 HD2 TYR 117 128.294 5.123 -4.753 931 HE1 TYR 117 HE1 TYR 117 127.775 6.689 -9.380 932 HE2 TYR 117 HE2 TYR 117 130.267 5.421 -6.146 933 HH TYR 117 HH TYR 117 130.180 7.136 -9.059 934 H THR 118 HN THR 118 123.877 8.026 -5.763 935 HA THR 118 HA THR 118 125.756 10.019 -6.448 936 HB THR 118 HB THR 118 123.696 11.314 -7.149 937 HG1 THR 118 HG1 THR 118 122.071 10.703 -5.955 938 1HG2 THR 118 HG21 THR 118 124.815 9.772 -8.701 939 2HG2 THR 118 HG22 THR 118 123.065 9.728 -8.933 940 3HG2 THR 118 HG23 THR 118 123.872 8.431 -8.054 941 H ARG 119 HN ARG 119 123.257 9.801 -3.967 942 HA ARG 119 HA ARG 119 123.519 12.413 -2.897 943 1HB ARG 119 HB2 ARG 119 121.609 10.734 -2.576 944 2HB ARG 119 HB1 ARG 119 122.638 9.952 -1.389 945 1HG ARG 119 HG2 ARG 119 122.674 12.007 -0.071 946 2HG ARG 119 HG1 ARG 119 121.636 12.788 -1.268 947 1HD ARG 119 HD2 ARG 119 120.022 10.847 -0.850 948 2HD ARG 119 HD1 ARG 119 120.990 10.518 0.583 949 HE ARG 119 HE ARG 119 120.143 13.230 0.355 950 1HH1 ARG 119 HH11 ARG 119 119.492 10.092 1.879 951 2HH1 ARG 119 HH12 ARG 119 118.054 10.547 2.640 952 1HH2 ARG 119 HH21 ARG 119 118.148 13.922 1.486 953 2HH2 ARG 119 HH22 ARG 119 117.280 12.852 2.473 954 H PHE 120 HN PHE 120 124.885 9.282 -2.147 955 HA PHE 120 HA PHE 120 126.444 9.878 0.041 956 1HB PHE 120 HB2 PHE 120 126.230 7.601 -0.631 957 2HB PHE 120 HB1 PHE 120 126.873 7.938 -2.232 958 HD1 PHE 120 HD1 PHE 120 129.104 7.596 -2.676 959 HD2 PHE 120 HD2 PHE 120 127.848 7.920 1.379 960 HE1 PHE 120 HE1 PHE 120 131.357 6.985 -1.934 961 HE2 PHE 120 HE2 PHE 120 130.140 7.292 2.120 962 HZ PHE 120 HZ PHE 120 131.867 6.836 0.461 963 H LEU 121 HN LEU 121 127.256 10.161 -3.396 964 HA LEU 121 HA LEU 121 129.869 11.070 -3.002 965 1HB LEU 121 HB2 LEU 121 128.036 11.555 -5.335 966 2HB LEU 121 HB1 LEU 121 129.757 11.884 -5.331 967 HG LEU 121 HG LEU 121 128.443 9.185 -5.089 968 1HD1 LEU 121 HD11 LEU 121 129.535 8.743 -7.230 969 2HD1 LEU 121 HD12 LEU 121 130.119 10.407 -7.268 970 3HD1 LEU 121 HD13 LEU 121 128.386 10.076 -7.331 971 1HD2 LEU 121 HD21 LEU 121 130.738 8.277 -5.128 972 2HD2 LEU 121 HD22 LEU 121 130.452 9.277 -3.697 973 3HD2 LEU 121 HD23 LEU 121 131.370 9.922 -5.040 974 H LYS 122 HN LYS 122 126.868 12.833 -2.907 975 HA LYS 122 HA LYS 122 128.461 15.267 -2.584 976 1HB LYS 122 HB2 LYS 122 125.857 14.817 -3.817 977 2HB LYS 122 HB1 LYS 122 125.880 16.192 -2.718 978 1HG LYS 122 HG2 LYS 122 126.404 16.833 -5.030 979 2HG LYS 122 HG1 LYS 122 127.732 17.177 -3.921 980 1HD LYS 122 HD2 LYS 122 128.756 15.006 -4.622 981 2HD LYS 122 HD1 LYS 122 127.499 14.880 -5.850 982 1HE LYS 122 HE2 LYS 122 128.261 17.011 -6.822 983 2HE LYS 122 HE1 LYS 122 129.512 17.079 -5.570 984 1HZ LYS 122 HZ1 LYS 122 130.549 15.160 -6.420 985 2HZ LYS 122 HZ2 LYS 122 130.264 16.133 -7.793 986 3HZ LYS 122 HZ3 LYS 122 129.271 14.820 -7.450 987 H SER 123 HN SER 123 127.509 13.076 -0.507 988 HA SER 123 HA SER 123 126.312 14.802 1.437 989 1HB SER 123 HB2 SER 123 126.648 12.919 2.965 990 2HB SER 123 HB1 SER 123 125.979 12.336 1.443 991 HG SER 123 HG SER 123 128.003 11.604 0.848 992 H ASP 124 HN ASP 124 127.445 15.462 3.442 993 HA ASP 124 HA ASP 124 129.987 16.587 3.012 994 1HB ASP 124 HB2 ASP 124 129.987 17.285 5.268 995 2HB ASP 124 HB1 ASP 124 128.273 17.145 4.913 996 H ILE 125 HN ILE 125 128.956 13.520 4.050 997 HA ILE 125 HA ILE 125 131.186 12.383 5.208 998 HB ILE 125 HB ILE 125 128.835 11.361 3.691 999 1HG1 ILE 125 HG12 ILE 125 129.767 10.960 6.537 1000 2HG1 ILE 125 HG11 ILE 125 128.544 12.097 5.993 1001 1HG2 ILE 125 HG21 ILE 125 129.448 9.010 4.123 1002 2HG2 ILE 125 HG22 ILE 125 131.103 9.550 4.501 1003 3HG2 ILE 125 HG23 ILE 125 130.376 9.882 2.916 1004 1HD1 ILE 125 HD11 ILE 125 127.121 10.233 5.317 1005 2HD1 ILE 125 HD12 ILE 125 127.546 10.142 7.026 1006 3HD1 ILE 125 HD13 ILE 125 128.353 9.097 5.860 1007 H TYR 126 HN TYR 126 130.204 12.016 1.794 1008 HA TYR 126 HA TYR 126 132.712 10.885 1.121 1009 1HB TYR 126 HB2 TYR 126 130.723 10.384 -0.198 1010 2HB TYR 126 HB1 TYR 126 130.645 12.056 -0.737 1011 HD1 TYR 126 HD1 TYR 126 132.734 9.018 -0.827 1012 HD2 TYR 126 HD2 TYR 126 131.844 12.752 -2.618 1013 HE1 TYR 126 HE1 TYR 126 134.214 8.461 -2.661 1014 HE2 TYR 126 HE2 TYR 126 133.329 12.231 -4.475 1015 HH TYR 126 HH TYR 126 134.735 9.076 -4.763 1016 H LEU 127 HN LEU 127 131.465 14.145 0.971 1017 HA LEU 127 HA LEU 127 133.671 15.225 -0.468 1018 1HB LEU 127 HB2 LEU 127 131.764 16.593 1.449 1019 2HB LEU 127 HB1 LEU 127 132.828 17.407 0.313 1020 HG LEU 127 HG LEU 127 130.498 15.614 -0.378 1021 1HD1 LEU 127 HD11 LEU 127 130.771 18.601 -0.575 1022 2HD1 LEU 127 HD12 LEU 127 129.765 17.706 0.565 1023 3HD1 LEU 127 HD13 LEU 127 129.415 17.637 -1.162 1024 1HD2 LEU 127 HD21 LEU 127 130.817 16.338 -2.663 1025 2HD2 LEU 127 HD22 LEU 127 132.266 15.517 -2.070 1026 3HD2 LEU 127 HD23 LEU 127 132.235 17.279 -2.198 1027 H ASP 128 HN ASP 128 133.245 14.275 2.793 1028 HA ASP 128 HA ASP 128 135.573 15.643 3.799 1029 1HB ASP 128 HB2 ASP 128 133.736 15.171 5.322 1030 2HB ASP 128 HB1 ASP 128 133.847 13.456 4.979 1031 H LEU 129 HN LEU 129 134.867 12.563 2.348 1032 HA LEU 129 HA LEU 129 137.401 11.320 2.923 1033 1HB LEU 129 HB2 LEU 129 135.680 10.672 0.479 1034 2HB LEU 129 HB1 LEU 129 136.837 9.696 1.298 1035 HG LEU 129 HG LEU 129 134.315 10.506 2.706 1036 1HD1 LEU 129 HD11 LEU 129 133.711 9.312 0.682 1037 2HD1 LEU 129 HD12 LEU 129 133.448 8.307 2.107 1038 3HD1 LEU 129 HD13 LEU 129 134.858 8.035 1.079 1039 1HD2 LEU 129 HD21 LEU 129 134.848 8.560 4.084 1040 2HD2 LEU 129 HD22 LEU 129 136.163 9.737 4.104 1041 3HD2 LEU 129 HD23 LEU 129 136.301 8.276 3.125 1042 H MET 130 HN MET 130 136.081 13.403 0.518 1043 HA MET 130 HA MET 130 138.316 13.545 -1.275 1044 1HB MET 130 HB2 MET 130 136.206 15.628 -0.679 1045 2HB MET 130 HB1 MET 130 137.286 15.631 -2.050 1046 1HG MET 130 HG2 MET 130 135.147 13.537 -1.584 1047 2HG MET 130 HG1 MET 130 134.931 14.993 -2.533 1048 1HE MET 130 HE1 MET 130 137.739 12.216 -2.179 1049 2HE MET 130 HE2 MET 130 137.468 11.321 -3.675 1050 3HE MET 130 HE3 MET 130 136.220 11.352 -2.435 1051 H GLU 131 HN GLU 131 137.296 15.055 1.646 1052 HA GLU 131 HA GLU 131 138.161 16.368 3.198 1053 1HB GLU 131 HB2 GLU 131 140.169 14.906 3.049 1054 2HB GLU 131 HB1 GLU 131 140.815 15.931 1.781 1055 1HG GLU 131 HG2 GLU 131 141.905 16.406 3.872 1056 2HG GLU 131 HG1 GLU 131 140.943 17.792 3.369 1057 H GLY 132 HN GLY 132 140.290 17.345 0.667 1058 1HA GLY 132 HA2 GLY 132 138.803 19.667 -0.101 1059 2HA GLY 132 HA1 GLY 132 140.167 20.067 0.948 1060 H ARG 133 HN ARG 133 140.322 17.300 -1.108 1061 HA ARG 133 HA ARG 133 142.237 18.692 -2.822 1062 1HB ARG 133 HB2 ARG 133 142.240 15.811 -1.867 1063 2HB ARG 133 HB1 ARG 133 143.409 16.520 -2.972 1064 1HG ARG 133 HG2 ARG 133 144.181 18.015 -1.200 1065 2HG ARG 133 HG1 ARG 133 142.997 17.314 -0.096 1066 1HD ARG 133 HD2 ARG 133 144.077 15.120 -0.385 1067 2HD ARG 133 HD1 ARG 133 145.286 15.875 -1.425 1068 HE ARG 133 HE ARG 133 145.099 17.185 1.075 1069 1HH1 ARG 133 HH11 ARG 133 146.426 14.269 -0.430 1070 2HH1 ARG 133 HH12 ARG 133 147.686 14.049 0.694 1071 1HH2 ARG 133 HH21 ARG 133 146.871 16.946 2.628 1072 2HH2 ARG 133 HH22 ARG 133 147.961 15.640 2.467 1073 HA PRO 134 HA PRO 134 139.314 17.452 -5.869 1074 1HB PRO 134 HB2 PRO 134 141.473 17.476 -7.867 1075 2HB PRO 134 HB1 PRO 134 140.046 18.511 -7.752 1076 1HG PRO 134 HG2 PRO 134 142.520 19.438 -7.231 1077 2HG PRO 134 HG1 PRO 134 141.087 20.029 -6.369 1078 1HD PRO 134 HD2 PRO 134 143.144 18.040 -5.483 1079 2HD PRO 134 HD1 PRO 134 142.380 19.354 -4.562 Start of MODEL 20 1 1H SER 1 HT1 SER 1 142.362 2.976 9.165 2 2H SER 1 HT2 SER 1 141.557 1.494 9.400 3 3H SER 1 HT3 SER 1 140.802 2.971 9.805 4 HA SER 1 HA SER 1 141.686 2.250 7.111 5 1HB SER 1 HB2 SER 1 138.905 2.157 8.305 6 2HB SER 1 HB1 SER 1 139.310 1.872 6.610 7 HG SER 1 HG SER 1 140.577 0.113 7.269 8 H MET 2 HN MET 2 142.327 4.143 6.348 9 HA MET 2 HA MET 2 140.484 6.410 6.571 10 1HB MET 2 HB2 MET 2 142.537 6.766 7.942 11 2HB MET 2 HB1 MET 2 143.524 6.442 6.533 12 1HG MET 2 HG2 MET 2 141.597 8.748 6.690 13 2HG MET 2 HG1 MET 2 143.265 8.856 7.230 14 1HE MET 2 HE1 MET 2 143.722 10.904 5.656 15 2HE MET 2 HE2 MET 2 142.039 10.865 5.125 16 3HE MET 2 HE3 MET 2 143.338 10.935 3.935 17 H VAL 3 HN VAL 3 139.758 6.900 4.632 18 HA VAL 3 HA VAL 3 141.127 5.664 2.412 19 HB VAL 3 HB VAL 3 138.800 5.120 2.421 20 1HG1 VAL 3 HG11 VAL 3 137.962 6.924 3.782 21 2HG1 VAL 3 HG12 VAL 3 137.035 6.739 2.291 22 3HG1 VAL 3 HG13 VAL 3 138.201 8.060 2.432 23 1HG2 VAL 3 HG21 VAL 3 139.795 5.551 0.227 24 2HG2 VAL 3 HG22 VAL 3 139.188 7.221 0.287 25 3HG2 VAL 3 HG23 VAL 3 138.070 5.865 0.271 26 H SER 4 HN SER 4 142.567 6.688 1.449 27 HA SER 4 HA SER 4 143.092 9.436 1.465 28 1HB SER 4 HB2 SER 4 143.862 7.357 -0.578 29 2HB SER 4 HB1 SER 4 144.757 8.807 -0.112 30 HG SER 4 HG SER 4 144.869 7.854 2.028 31 HA PRO 5 HA PRO 5 140.160 11.200 -1.386 32 1HB PRO 5 HB2 PRO 5 142.022 12.775 -2.816 33 2HB PRO 5 HB1 PRO 5 141.062 13.278 -1.422 34 1HG PRO 5 HG2 PRO 5 143.880 12.344 -1.548 35 2HG PRO 5 HG1 PRO 5 143.133 13.522 -0.455 36 1HD PRO 5 HD2 PRO 5 143.780 11.060 0.372 37 2HD PRO 5 HD1 PRO 5 142.308 11.868 0.955 38 H GLU 6 HN GLU 6 143.119 9.757 -2.627 39 HA GLU 6 HA GLU 6 142.108 9.623 -5.331 40 1HB GLU 6 HB2 GLU 6 144.346 8.039 -4.091 41 2HB GLU 6 HB1 GLU 6 143.987 8.147 -5.806 42 1HG GLU 6 HG2 GLU 6 144.451 10.545 -5.732 43 2HG GLU 6 HG1 GLU 6 144.865 10.390 -4.023 44 H GLU 7 HN GLU 7 142.270 7.448 -2.599 45 HA GLU 7 HA GLU 7 141.246 5.175 -3.952 46 1HB GLU 7 HB2 GLU 7 142.475 5.056 -1.799 47 2HB GLU 7 HB1 GLU 7 141.159 5.909 -1.009 48 1HG GLU 7 HG2 GLU 7 140.897 3.640 -0.470 49 2HG GLU 7 HG1 GLU 7 139.670 3.999 -1.679 50 H ALA 8 HN ALA 8 139.910 7.880 -2.200 51 HA ALA 8 HA ALA 8 137.257 6.985 -2.193 52 1HB ALA 8 HB1 ALA 8 136.648 9.274 -1.453 53 2HB ALA 8 HB2 ALA 8 138.253 9.842 -1.921 54 3HB ALA 8 HB3 ALA 8 138.073 8.665 -0.620 55 H VAL 9 HN VAL 9 138.985 9.114 -4.579 56 HA VAL 9 HA VAL 9 136.688 9.502 -6.174 57 HB VAL 9 HB VAL 9 138.061 10.004 -8.133 58 1HG1 VAL 9 HG11 VAL 9 139.225 11.248 -5.683 59 2HG1 VAL 9 HG12 VAL 9 137.818 11.788 -6.601 60 3HG1 VAL 9 HG13 VAL 9 139.425 11.843 -7.330 61 1HG2 VAL 9 HG21 VAL 9 140.510 9.888 -8.099 62 2HG2 VAL 9 HG22 VAL 9 139.748 8.301 -7.978 63 3HG2 VAL 9 HG23 VAL 9 140.430 9.063 -6.542 64 H LYS 10 HN LYS 10 138.773 6.774 -5.885 65 HA LYS 10 HA LYS 10 137.986 5.417 -8.226 66 1HB LYS 10 HB2 LYS 10 138.852 4.237 -5.584 67 2HB LYS 10 HB1 LYS 10 138.812 3.391 -7.121 68 1HG LYS 10 HG2 LYS 10 140.566 5.721 -6.403 69 2HG LYS 10 HG1 LYS 10 141.059 4.037 -6.573 70 1HD LYS 10 HD2 LYS 10 140.512 4.076 -8.919 71 2HD LYS 10 HD1 LYS 10 139.877 5.719 -8.771 72 1HE LYS 10 HE2 LYS 10 142.084 6.518 -8.137 73 2HE LYS 10 HE1 LYS 10 142.722 4.878 -8.266 74 1HZ LYS 10 HZ1 LYS 10 141.502 6.432 -10.472 75 2HZ LYS 10 HZ2 LYS 10 142.152 4.878 -10.610 76 3HZ LYS 10 HZ3 LYS 10 143.166 6.188 -10.279 77 H TRP 11 HN TRP 11 136.537 5.691 -5.059 78 HA TRP 11 HA TRP 11 134.549 3.688 -5.399 79 1HB TRP 11 HB2 TRP 11 134.509 6.193 -3.724 80 2HB TRP 11 HB1 TRP 11 133.346 4.884 -3.604 81 HD1 TRP 11 HD1 TRP 11 136.274 2.961 -4.022 82 HE1 TRP 11 HE1 TRP 11 137.363 2.361 -1.789 83 HE3 TRP 11 HE3 TRP 11 133.968 6.416 -1.105 84 HZ2 TRP 11 HZ2 TRP 11 137.230 3.232 0.885 85 HZ3 TRP 11 HZ3 TRP 11 134.480 6.446 1.323 86 HH2 TRP 11 HH2 TRP 11 136.082 4.899 2.268 87 H GLY 12 HN GLY 12 134.945 6.914 -6.416 88 1HA GLY 12 HA2 GLY 12 132.214 7.499 -7.008 89 2HA GLY 12 HA1 GLY 12 133.617 8.420 -7.533 90 H GLU 13 HN GLU 13 134.589 5.603 -8.561 91 HA GLU 13 HA GLU 13 133.041 5.825 -10.996 92 1HB GLU 13 HB2 GLU 13 134.991 4.962 -12.236 93 2HB GLU 13 HB1 GLU 13 135.304 6.477 -11.428 94 1HG GLU 13 HG2 GLU 13 137.264 5.346 -11.065 95 2HG GLU 13 HG1 GLU 13 136.381 4.949 -9.597 96 H SER 14 HN SER 14 133.289 3.887 -8.378 97 HA SER 14 HA SER 14 131.805 1.857 -9.745 98 1HB SER 14 HB2 SER 14 134.009 1.003 -10.197 99 2HB SER 14 HB1 SER 14 134.473 1.179 -8.504 100 HG SER 14 HG SER 14 133.272 -0.874 -9.712 101 H PHE 15 HN PHE 15 130.075 1.829 -8.480 102 HA PHE 15 HA PHE 15 130.028 2.202 -5.678 103 1HB PHE 15 HB2 PHE 15 128.039 2.482 -7.137 104 2HB PHE 15 HB1 PHE 15 128.033 0.756 -7.459 105 HD1 PHE 15 HD1 PHE 15 126.291 -0.325 -6.419 106 HD2 PHE 15 HD2 PHE 15 128.189 2.887 -4.388 107 HE1 PHE 15 HE1 PHE 15 124.785 -0.644 -4.488 108 HE2 PHE 15 HE2 PHE 15 126.678 2.555 -2.463 109 HZ PHE 15 HZ PHE 15 124.984 0.802 -2.529 110 H ASP 16 HN ASP 16 130.620 -0.545 -7.688 111 HA ASP 16 HA ASP 16 130.357 -2.600 -5.756 112 1HB ASP 16 HB2 ASP 16 130.418 -3.207 -8.092 113 2HB ASP 16 HB1 ASP 16 131.992 -2.448 -8.300 114 H LYS 17 HN LYS 17 133.028 -0.561 -6.807 115 HA LYS 17 HA LYS 17 135.055 -1.826 -5.304 116 1HB LYS 17 HB2 LYS 17 135.630 -0.437 -7.160 117 2HB LYS 17 HB1 LYS 17 134.775 0.926 -6.461 118 1HG LYS 17 HG2 LYS 17 136.365 1.238 -4.825 119 2HG LYS 17 HG1 LYS 17 137.194 -0.291 -5.182 120 1HD LYS 17 HD2 LYS 17 136.940 2.079 -7.046 121 2HD LYS 17 HD1 LYS 17 138.389 1.648 -6.138 122 1HE LYS 17 HE2 LYS 17 138.594 -0.428 -7.343 123 2HE LYS 17 HE1 LYS 17 137.057 -0.152 -8.159 124 1HZ LYS 17 HZ1 LYS 17 138.960 0.353 -9.552 125 2HZ LYS 17 HZ2 LYS 17 139.501 1.523 -8.489 126 3HZ LYS 17 HZ3 LYS 17 138.000 1.715 -9.293 127 H LEU 18 HN LEU 18 132.978 0.881 -4.723 128 HA LEU 18 HA LEU 18 133.815 1.839 -2.277 129 1HB LEU 18 HB2 LEU 18 132.151 2.889 -3.626 130 2HB LEU 18 HB1 LEU 18 131.106 1.497 -3.517 131 HG LEU 18 HG LEU 18 130.703 2.001 -1.145 132 1HD1 LEU 18 HD11 LEU 18 132.341 4.460 -1.713 133 2HD1 LEU 18 HD12 LEU 18 132.821 3.123 -0.667 134 3HD1 LEU 18 HD13 LEU 18 131.436 4.127 -0.237 135 1HD2 LEU 18 HD21 LEU 18 129.256 2.801 -2.854 136 2HD2 LEU 18 HD22 LEU 18 130.289 4.210 -3.092 137 3HD2 LEU 18 HD23 LEU 18 129.391 4.019 -1.570 138 H LEU 19 HN LEU 19 131.470 -0.708 -2.960 139 HA LEU 19 HA LEU 19 131.078 -1.405 -0.240 140 1HB LEU 19 HB2 LEU 19 130.056 -2.284 -2.859 141 2HB LEU 19 HB1 LEU 19 129.917 -3.410 -1.532 142 HG LEU 19 HG LEU 19 128.220 -2.251 -0.550 143 1HD1 LEU 19 HD11 LEU 19 129.656 -0.228 -0.109 144 2HD1 LEU 19 HD12 LEU 19 127.960 0.080 -0.375 145 3HD1 LEU 19 HD13 LEU 19 129.127 0.408 -1.678 146 1HD2 LEU 19 HD21 LEU 19 128.145 -1.125 -3.330 147 2HD2 LEU 19 HD22 LEU 19 126.779 -1.242 -2.211 148 3HD2 LEU 19 HD23 LEU 19 127.550 -2.704 -2.825 149 H SER 20 HN SER 20 133.480 -2.225 -2.427 150 HA SER 20 HA SER 20 134.017 -4.797 -1.158 151 1HB SER 20 HB2 SER 20 135.525 -3.388 -3.364 152 2HB SER 20 HB1 SER 20 135.751 -5.059 -2.838 153 HG SER 20 HG SER 20 133.437 -3.908 -3.989 154 H HIS 21 HN HIS 21 134.565 -1.635 -0.536 155 HA HIS 21 HA HIS 21 137.189 -2.100 0.715 156 1HB HIS 21 HB2 HIS 21 136.397 -0.056 -0.956 157 2HB HIS 21 HB1 HIS 21 136.038 0.625 0.622 158 HD1 HIS 21 HD1 HIS 21 138.053 1.761 1.828 159 HD2 HIS 21 HD2 HIS 21 139.160 -0.821 -1.255 160 HE1 HIS 21 HE1 HIS 21 140.440 2.043 1.572 161 HE2 HIS 21 HE2 HIS 21 140.974 0.837 -0.548 162 H ARG 22 HN ARG 22 137.052 -2.332 2.885 163 HA ARG 22 HA ARG 22 134.579 -2.417 4.228 164 1HB ARG 22 HB2 ARG 22 137.326 -2.156 5.437 165 2HB ARG 22 HB1 ARG 22 135.867 -2.595 6.316 166 1HG ARG 22 HG2 ARG 22 135.648 -4.581 4.829 167 2HG ARG 22 HG1 ARG 22 137.217 -4.164 4.135 168 1HD ARG 22 HD2 ARG 22 137.499 -5.844 5.841 169 2HD ARG 22 HD1 ARG 22 138.217 -4.328 6.383 170 HE ARG 22 HE ARG 22 135.543 -4.504 7.251 171 1HH1 ARG 22 HH11 ARG 22 138.787 -5.743 8.002 172 2HH1 ARG 22 HH12 ARG 22 138.420 -6.163 9.609 173 1HH2 ARG 22 HH21 ARG 22 135.019 -5.075 9.468 174 2HH2 ARG 22 HH22 ARG 22 136.222 -5.739 10.470 175 H ASP 23 HN ASP 23 136.985 0.164 4.275 176 HA ASP 23 HA ASP 23 135.307 1.806 5.940 177 1HB ASP 23 HB2 ASP 23 136.881 3.740 5.297 178 2HB ASP 23 HB1 ASP 23 137.624 2.387 6.146 179 H GLY 24 HN GLY 24 135.216 1.076 2.699 180 1HA GLY 24 HA2 GLY 24 133.858 3.531 1.894 181 2HA GLY 24 HA1 GLY 24 134.154 2.136 0.870 182 H LEU 25 HN LEU 25 133.161 0.150 2.255 183 HA LEU 25 HA LEU 25 130.425 0.209 1.974 184 1HB LEU 25 HB2 LEU 25 131.179 -1.935 2.054 185 2HB LEU 25 HB1 LEU 25 132.473 -1.548 3.154 186 HG LEU 25 HG LEU 25 129.669 -1.798 4.226 187 1HD1 LEU 25 HD11 LEU 25 130.087 -3.788 2.810 188 2HD1 LEU 25 HD12 LEU 25 130.087 -4.198 4.524 189 3HD1 LEU 25 HD13 LEU 25 131.614 -4.050 3.653 190 1HD2 LEU 25 HD21 LEU 25 131.521 -0.998 5.717 191 2HD2 LEU 25 HD22 LEU 25 132.426 -2.439 5.302 192 3HD2 LEU 25 HD23 LEU 25 130.913 -2.588 6.201 193 H GLU 26 HN GLU 26 132.483 0.944 4.666 194 HA GLU 26 HA GLU 26 130.423 1.420 6.544 195 1HB GLU 26 HB2 GLU 26 132.681 0.787 7.061 196 2HB GLU 26 HB1 GLU 26 133.293 2.335 6.490 197 1HG GLU 26 HG2 GLU 26 133.203 2.396 8.895 198 2HG GLU 26 HG1 GLU 26 131.940 3.453 8.268 199 H ALA 27 HN ALA 27 132.232 3.472 4.227 200 HA ALA 27 HA ALA 27 131.232 5.923 5.223 201 1HB ALA 27 HB1 ALA 27 132.184 5.272 2.407 202 2HB ALA 27 HB2 ALA 27 133.198 5.873 3.711 203 3HB ALA 27 HB3 ALA 27 131.909 6.881 3.058 204 H PHE 28 HN PHE 28 130.130 3.735 2.682 205 HA PHE 28 HA PHE 28 127.900 5.366 2.023 206 1HB PHE 28 HB2 PHE 28 128.875 3.676 0.438 207 2HB PHE 28 HB1 PHE 28 128.190 2.406 1.451 208 HD1 PHE 28 HD1 PHE 28 125.885 1.831 1.288 209 HD2 PHE 28 HD2 PHE 28 127.378 5.256 -0.734 210 HE1 PHE 28 HE1 PHE 28 123.764 2.027 0.062 211 HE2 PHE 28 HE2 PHE 28 125.263 5.457 -1.962 212 HZ PHE 28 HZ PHE 28 123.452 3.842 -1.565 213 H THR 29 HN THR 29 128.318 2.514 4.155 214 HA THR 29 HA THR 29 125.577 2.409 4.663 215 HB THR 29 HB THR 29 127.072 0.420 5.165 216 HG1 THR 29 HG1 THR 29 125.404 -0.175 6.405 217 1HG2 THR 29 HG21 THR 29 128.876 1.619 6.369 218 2HG2 THR 29 HG22 THR 29 128.189 0.329 7.353 219 3HG2 THR 29 HG23 THR 29 127.741 2.008 7.662 220 H ARG 30 HN ARG 30 128.162 4.244 6.320 221 HA ARG 30 HA ARG 30 126.459 4.982 8.445 222 1HB ARG 30 HB2 ARG 30 128.000 6.780 8.973 223 2HB ARG 30 HB1 ARG 30 128.893 5.321 8.601 224 1HG ARG 30 HG2 ARG 30 129.499 6.199 6.445 225 2HG ARG 30 HG1 ARG 30 128.479 7.615 6.703 226 1HD ARG 30 HD2 ARG 30 130.890 6.847 8.339 227 2HD ARG 30 HD1 ARG 30 130.833 8.124 7.124 228 HE ARG 30 HE ARG 30 129.021 8.229 9.426 229 1HH1 ARG 30 HH11 ARG 30 131.813 9.599 7.721 230 2HH1 ARG 30 HH12 ARG 30 131.822 11.063 8.583 231 1HH2 ARG 30 HH21 ARG 30 128.973 10.276 10.586 232 2HH2 ARG 30 HH22 ARG 30 130.161 11.448 10.264 233 H PHE 31 HN PHE 31 126.927 6.317 5.269 234 HA PHE 31 HA PHE 31 125.332 8.620 5.546 235 1HB PHE 31 HB2 PHE 31 126.878 8.349 3.696 236 2HB PHE 31 HB1 PHE 31 126.040 6.903 3.155 237 HD1 PHE 31 HD1 PHE 31 124.312 7.053 1.608 238 HD2 PHE 31 HD2 PHE 31 125.642 10.549 3.624 239 HE1 PHE 31 HE1 PHE 31 122.920 8.430 0.128 240 HE2 PHE 31 HE2 PHE 31 124.252 11.930 2.147 241 HZ PHE 31 HZ PHE 31 122.890 10.870 0.399 242 H LEU 32 HN LEU 32 124.668 5.299 4.803 243 HA LEU 32 HA LEU 32 121.913 5.668 4.117 244 1HB LEU 32 HB2 LEU 32 123.680 3.833 3.432 245 2HB LEU 32 HB1 LEU 32 123.160 3.077 4.910 246 HG LEU 32 HG LEU 32 120.897 2.869 4.057 247 1HD1 LEU 32 HD11 LEU 32 120.848 4.906 2.678 248 2HD1 LEU 32 HD12 LEU 32 120.394 3.486 1.737 249 3HD1 LEU 32 HD13 LEU 32 122.007 4.180 1.566 250 1HD2 LEU 32 HD21 LEU 32 122.465 1.091 3.607 251 2HD2 LEU 32 HD22 LEU 32 123.078 1.921 2.198 252 3HD2 LEU 32 HD23 LEU 32 121.419 1.303 2.202 253 H LYS 33 HN LYS 33 123.743 4.728 6.973 254 HA LYS 33 HA LYS 33 121.533 3.917 8.563 255 1HB LYS 33 HB2 LYS 33 124.240 4.906 9.523 256 2HB LYS 33 HB1 LYS 33 123.048 4.079 10.507 257 1HG LYS 33 HG2 LYS 33 123.316 2.092 9.000 258 2HG LYS 33 HG1 LYS 33 124.652 2.943 8.222 259 1HD LYS 33 HD2 LYS 33 125.754 3.096 10.445 260 2HD LYS 33 HD1 LYS 33 124.455 2.110 11.114 261 1HE LYS 33 HE2 LYS 33 126.487 1.309 9.025 262 2HE LYS 33 HE1 LYS 33 126.355 0.698 10.667 263 1HZ LYS 33 HZ1 LYS 33 124.657 0.093 8.319 264 2HZ LYS 33 HZ2 LYS 33 124.023 -0.109 9.851 265 3HZ LYS 33 HZ3 LYS 33 125.399 -0.975 9.381 266 H THR 34 HN THR 34 123.207 6.994 8.116 267 HA THR 34 HA THR 34 121.916 8.283 10.252 268 HB THR 34 HB THR 34 124.067 9.064 9.087 269 HG1 THR 34 HG1 THR 34 123.796 10.995 9.843 270 1HG2 THR 34 HG21 THR 34 123.274 9.030 6.772 271 2HG2 THR 34 HG22 THR 34 123.835 10.641 7.220 272 3HG2 THR 34 HG23 THR 34 122.106 10.297 7.146 273 H GLU 35 HN GLU 35 120.770 7.450 7.106 274 HA GLU 35 HA GLU 35 118.454 9.197 7.482 275 1HB GLU 35 HB2 GLU 35 117.857 8.680 5.159 276 2HB GLU 35 HB1 GLU 35 119.453 9.399 5.290 277 1HG GLU 35 HG2 GLU 35 120.502 7.289 4.933 278 2HG GLU 35 HG1 GLU 35 118.947 6.455 5.011 279 H PHE 36 HN PHE 36 119.355 6.303 8.456 280 HA PHE 36 HA PHE 36 118.358 4.464 9.249 281 1HB PHE 36 HB2 PHE 36 115.812 6.067 8.862 282 2HB PHE 36 HB1 PHE 36 115.904 4.544 9.738 283 HD1 PHE 36 HD1 PHE 36 116.682 8.115 9.803 284 HD2 PHE 36 HD2 PHE 36 116.970 4.437 11.920 285 HE1 PHE 36 HE1 PHE 36 117.232 9.348 11.860 286 HE2 PHE 36 HE2 PHE 36 117.526 5.661 13.979 287 HZ PHE 36 HZ PHE 36 117.657 8.119 13.952 288 H SER 37 HN SER 37 118.983 4.469 6.491 289 HA SER 37 HA SER 37 116.882 2.665 5.466 290 1HB SER 37 HB2 SER 37 118.917 4.233 3.861 291 2HB SER 37 HB1 SER 37 117.550 3.311 3.236 292 HG SER 37 HG SER 37 117.525 5.777 3.634 293 H GLU 38 HN GLU 38 119.428 2.312 7.189 294 HA GLU 38 HA GLU 38 121.494 1.232 5.626 295 1HB GLU 38 HB2 GLU 38 122.494 0.415 7.691 296 2HB GLU 38 HB1 GLU 38 121.902 2.056 7.873 297 1HG GLU 38 HG2 GLU 38 119.963 1.238 9.088 298 2HG GLU 38 HG1 GLU 38 120.510 -0.421 8.866 299 H GLU 39 HN GLU 39 118.592 -0.242 6.773 300 HA GLU 39 HA GLU 39 119.387 -2.902 6.828 301 1HB GLU 39 HB2 GLU 39 116.665 -1.797 6.194 302 2HB GLU 39 HB1 GLU 39 117.000 -3.511 6.322 303 1HG GLU 39 HG2 GLU 39 116.150 -3.002 8.386 304 2HG GLU 39 HG1 GLU 39 117.883 -2.922 8.668 305 H ASN 40 HN ASN 40 119.094 -0.942 4.068 306 HA ASN 40 HA ASN 40 118.549 -3.169 2.312 307 1HB ASN 40 HB2 ASN 40 119.205 -0.282 1.714 308 2HB ASN 40 HB1 ASN 40 119.018 -1.487 0.446 309 1HD2 ASN 40 HD21 ASN 40 117.449 0.916 0.962 310 2HD2 ASN 40 HD22 ASN 40 115.816 0.388 1.126 311 H ILE 41 HN ILE 41 121.425 -1.245 3.086 312 HA ILE 41 HA ILE 41 123.037 -2.681 1.229 313 HB ILE 41 HB ILE 41 123.568 -0.370 2.118 314 1HG1 ILE 41 HG12 ILE 41 125.820 -2.402 2.362 315 2HG1 ILE 41 HG11 ILE 41 125.225 -1.683 0.881 316 1HG2 ILE 41 HG21 ILE 41 124.898 -0.242 4.262 317 2HG2 ILE 41 HG22 ILE 41 124.238 -1.833 4.696 318 3HG2 ILE 41 HG23 ILE 41 123.179 -0.498 4.420 319 1HD1 ILE 41 HD11 ILE 41 127.202 -0.513 1.455 320 2HD1 ILE 41 HD12 ILE 41 126.652 -0.307 3.123 321 3HD1 ILE 41 HD13 ILE 41 125.828 0.545 1.820 322 H GLU 42 HN GLU 42 122.325 -2.901 4.612 323 HA GLU 42 HA GLU 42 123.998 -5.107 5.146 324 1HB GLU 42 HB2 GLU 42 121.890 -3.590 6.563 325 2HB GLU 42 HB1 GLU 42 122.260 -5.199 7.150 326 1HG GLU 42 HG2 GLU 42 123.352 -3.164 8.150 327 2HG GLU 42 HG1 GLU 42 124.470 -4.559 7.811 328 H PHE 43 HN PHE 43 120.882 -4.741 3.754 329 HA PHE 43 HA PHE 43 119.654 -7.220 4.159 330 1HB PHE 43 HB2 PHE 43 118.392 -5.490 3.116 331 2HB PHE 43 HB1 PHE 43 119.598 -5.255 1.872 332 HD1 PHE 43 HD1 PHE 43 116.773 -7.230 2.981 333 HD2 PHE 43 HD2 PHE 43 119.660 -6.689 -0.077 334 HE1 PHE 43 HE1 PHE 43 115.432 -8.590 1.479 335 HE2 PHE 43 HE2 PHE 43 118.337 -8.083 -1.596 336 HZ PHE 43 HZ PHE 43 116.215 -9.043 -0.823 337 H TRP 44 HN TRP 44 121.625 -6.154 1.377 338 HA TRP 44 HA TRP 44 121.791 -8.926 0.820 339 1HB TRP 44 HB2 TRP 44 123.328 -8.415 -1.096 340 2HB TRP 44 HB1 TRP 44 121.676 -7.834 -1.214 341 HD1 TRP 44 HD1 TRP 44 121.525 -5.528 -2.142 342 HE1 TRP 44 HE1 TRP 44 123.067 -3.519 -2.363 343 HE3 TRP 44 HE3 TRP 44 125.537 -7.309 0.448 344 HZ2 TRP 44 HZ2 TRP 44 125.636 -2.760 -1.509 345 HZ3 TRP 44 HZ3 TRP 44 127.498 -5.858 0.709 346 HH2 TRP 44 HH2 TRP 44 127.544 -3.644 -0.256 347 H ILE 45 HN ILE 45 123.717 -6.906 2.633 348 HA ILE 45 HA ILE 45 126.014 -8.518 2.655 349 HB ILE 45 HB ILE 45 124.813 -6.628 4.668 350 1HG1 ILE 45 HG12 ILE 45 127.402 -6.668 3.114 351 2HG1 ILE 45 HG11 ILE 45 125.979 -5.703 2.763 352 1HG2 ILE 45 HG21 ILE 45 127.337 -8.192 5.243 353 2HG2 ILE 45 HG22 ILE 45 125.766 -8.446 6.009 354 3HG2 ILE 45 HG23 ILE 45 126.603 -6.914 6.235 355 1HD1 ILE 45 HD11 ILE 45 127.743 -5.442 5.181 356 2HD1 ILE 45 HD12 ILE 45 126.321 -4.457 4.826 357 3HD1 ILE 45 HD13 ILE 45 127.735 -4.379 3.773 358 H ALA 46 HN ALA 46 122.915 -8.835 4.227 359 HA ALA 46 HA ALA 46 123.527 -11.079 5.800 360 1HB ALA 46 HB1 ALA 46 121.076 -11.503 5.814 361 2HB ALA 46 HB2 ALA 46 120.865 -10.311 4.551 362 3HB ALA 46 HB3 ALA 46 121.442 -9.808 6.143 363 H CYS 47 HN CYS 47 122.409 -10.683 2.482 364 HA CYS 47 HA CYS 47 122.207 -13.469 1.929 365 1HB CYS 47 HB2 CYS 47 120.964 -11.856 0.577 366 2HB CYS 47 HB1 CYS 47 122.468 -11.162 -0.014 367 HG CYS 47 HG CYS 47 122.776 -14.232 -0.696 368 H GLU 48 HN GLU 48 124.861 -11.174 1.556 369 HA GLU 48 HA GLU 48 126.529 -12.954 0.093 370 1HB GLU 48 HB2 GLU 48 127.331 -10.584 1.809 371 2HB GLU 48 HB1 GLU 48 128.339 -11.424 0.633 372 1HG GLU 48 HG2 GLU 48 125.798 -9.990 -0.076 373 2HG GLU 48 HG1 GLU 48 127.403 -9.268 -0.168 374 H ASP 49 HN ASP 49 126.262 -12.155 3.528 375 HA ASP 49 HA ASP 49 128.192 -13.976 4.480 376 1HB ASP 49 HB2 ASP 49 127.369 -12.396 6.049 377 2HB ASP 49 HB1 ASP 49 125.694 -12.816 5.711 378 H PHE 50 HN PHE 50 124.890 -14.285 3.614 379 HA PHE 50 HA PHE 50 124.380 -16.878 4.530 380 1HB PHE 50 HB2 PHE 50 122.742 -15.112 3.889 381 2HB PHE 50 HB1 PHE 50 123.150 -15.415 2.210 382 HD1 PHE 50 HD1 PHE 50 121.661 -16.805 5.227 383 HD2 PHE 50 HD2 PHE 50 122.228 -17.213 1.052 384 HE1 PHE 50 HE1 PHE 50 119.918 -18.514 5.159 385 HE2 PHE 50 HE2 PHE 50 120.488 -18.922 0.984 386 HZ PHE 50 HZ PHE 50 119.333 -19.568 3.038 387 H LYS 51 HN LYS 51 125.320 -15.658 1.310 388 HA LYS 51 HA LYS 51 125.303 -18.131 -0.005 389 1HB LYS 51 HB2 LYS 51 126.441 -17.090 -1.849 390 2HB LYS 51 HB1 LYS 51 125.372 -15.879 -1.163 391 1HG LYS 51 HG2 LYS 51 127.276 -14.868 -0.003 392 2HG LYS 51 HG1 LYS 51 128.339 -16.085 -0.695 393 1HD LYS 51 HD2 LYS 51 127.730 -15.246 -2.953 394 2HD LYS 51 HD1 LYS 51 126.787 -13.965 -2.179 395 1HE LYS 51 HE2 LYS 51 128.815 -13.194 -1.019 396 2HE LYS 51 HE1 LYS 51 129.748 -14.444 -1.839 397 1HZ LYS 51 HZ1 LYS 51 129.114 -13.371 -3.972 398 2HZ LYS 51 HZ2 LYS 51 130.024 -12.366 -2.960 399 3HZ LYS 51 HZ3 LYS 51 128.375 -12.124 -3.090 400 H LYS 52 HN LYS 52 127.824 -16.606 1.892 401 HA LYS 52 HA LYS 52 129.778 -18.569 1.083 402 1HB LYS 52 HB2 LYS 52 131.305 -17.469 2.664 403 2HB LYS 52 HB1 LYS 52 130.554 -16.322 1.540 404 1HG LYS 52 HG2 LYS 52 129.068 -15.555 3.261 405 2HG LYS 52 HG1 LYS 52 129.645 -16.798 4.368 406 1HD LYS 52 HD2 LYS 52 131.318 -14.561 3.226 407 2HD LYS 52 HD1 LYS 52 130.620 -14.593 4.848 408 1HE LYS 52 HE2 LYS 52 131.892 -16.643 5.326 409 2HE LYS 52 HE1 LYS 52 132.624 -16.543 3.726 410 1HZ LYS 52 HZ1 LYS 52 133.592 -14.426 4.346 411 2HZ LYS 52 HZ2 LYS 52 134.071 -15.622 5.441 412 3HZ LYS 52 HZ3 LYS 52 132.892 -14.496 5.864 413 H SER 53 HN SER 53 127.227 -18.816 3.108 414 HA SER 53 HA SER 53 128.553 -20.208 5.266 415 1HB SER 53 HB2 SER 53 125.611 -19.859 4.650 416 2HB SER 53 HB1 SER 53 126.286 -20.518 6.144 417 HG SER 53 HG SER 53 126.752 -17.911 5.108 418 H LYS 54 HN LYS 54 128.165 -22.433 5.744 419 HA LYS 54 HA LYS 54 127.347 -23.959 3.434 420 1HB LYS 54 HB2 LYS 54 129.168 -25.616 3.907 421 2HB LYS 54 HB1 LYS 54 129.744 -24.050 3.383 422 1HG LYS 54 HG2 LYS 54 131.232 -24.516 5.057 423 2HG LYS 54 HG1 LYS 54 130.006 -23.638 5.969 424 1HD LYS 54 HD2 LYS 54 129.007 -25.804 6.637 425 2HD LYS 54 HD1 LYS 54 130.298 -26.635 5.773 426 1HE LYS 54 HE2 LYS 54 130.595 -24.822 8.170 427 2HE LYS 54 HE1 LYS 54 130.840 -26.564 8.122 428 1HZ LYS 54 HZ1 LYS 54 132.497 -24.451 6.888 429 2HZ LYS 54 HZ2 LYS 54 132.630 -26.067 6.427 430 3HZ LYS 54 HZ3 LYS 54 132.984 -25.619 8.018 431 H GLY 55 HN GLY 55 125.719 -25.022 3.819 432 1HA GLY 55 HA2 GLY 55 125.227 -27.115 5.328 433 2HA GLY 55 HA1 GLY 55 124.967 -25.819 6.498 434 HA PRO 56 HA PRO 56 121.791 -25.718 2.786 435 1HB PRO 56 HB2 PRO 56 120.772 -28.463 3.259 436 2HB PRO 56 HB1 PRO 56 121.076 -27.609 1.737 437 1HG PRO 56 HG2 PRO 56 122.698 -29.566 2.583 438 2HG PRO 56 HG1 PRO 56 123.314 -28.147 1.717 439 1HD PRO 56 HD2 PRO 56 123.376 -28.748 4.650 440 2HD PRO 56 HD1 PRO 56 124.627 -28.013 3.627 441 H GLN 57 HN GLN 57 121.413 -27.432 5.859 442 HA GLN 57 HA GLN 57 118.677 -26.681 6.163 443 1HB GLN 57 HB2 GLN 57 120.704 -27.551 8.222 444 2HB GLN 57 HB1 GLN 57 118.994 -27.309 8.557 445 1HG GLN 57 HG2 GLN 57 120.086 -29.266 6.553 446 2HG GLN 57 HG1 GLN 57 119.628 -29.666 8.205 447 1HE2 GLN 57 HE21 GLN 57 118.135 -31.110 7.467 448 2HE2 GLN 57 HE22 GLN 57 116.595 -30.628 6.838 449 H GLN 58 HN GLN 58 121.714 -25.301 7.055 450 HA GLN 58 HA GLN 58 120.880 -23.175 8.692 451 1HB GLN 58 HB2 GLN 58 123.214 -24.079 8.387 452 2HB GLN 58 HB1 GLN 58 123.269 -23.328 6.815 453 1HG GLN 58 HG2 GLN 58 124.486 -22.077 8.520 454 2HG GLN 58 HG1 GLN 58 123.179 -21.120 7.836 455 1HE2 GLN 58 HE21 GLN 58 123.294 -19.815 9.725 456 2HE2 GLN 58 HE22 GLN 58 122.579 -20.337 11.207 457 H ILE 59 HN ILE 59 120.862 -23.733 5.305 458 HA ILE 59 HA ILE 59 120.527 -21.072 4.373 459 HB ILE 59 HB ILE 59 119.576 -23.612 3.044 460 1HG1 ILE 59 HG12 ILE 59 121.908 -23.937 3.460 461 2HG1 ILE 59 HG11 ILE 59 121.723 -23.540 1.761 462 1HG2 ILE 59 HG21 ILE 59 120.205 -20.912 1.921 463 2HG2 ILE 59 HG22 ILE 59 118.628 -21.655 2.079 464 3HG2 ILE 59 HG23 ILE 59 119.808 -22.333 0.942 465 1HD1 ILE 59 HD11 ILE 59 122.485 -21.272 2.219 466 2HD1 ILE 59 HD12 ILE 59 123.639 -22.519 2.734 467 3HD1 ILE 59 HD13 ILE 59 122.645 -21.697 3.936 468 H HIS 60 HN HIS 60 118.297 -23.749 4.944 469 HA HIS 60 HA HIS 60 115.886 -22.517 4.153 470 1HB HIS 60 HB2 HIS 60 116.237 -24.609 6.325 471 2HB HIS 60 HB1 HIS 60 114.685 -24.105 5.684 472 HD1 HIS 60 HD1 HIS 60 113.885 -25.307 3.554 473 HD2 HIS 60 HD2 HIS 60 117.828 -26.093 4.550 474 HE1 HIS 60 HE1 HIS 60 114.607 -27.068 1.989 475 HE2 HIS 60 HE2 HIS 60 117.044 -27.343 2.396 476 H LEU 61 HN LEU 61 117.331 -22.732 7.324 477 HA LEU 61 HA LEU 61 115.447 -21.401 8.874 478 1HB LEU 61 HB2 LEU 61 118.421 -21.224 9.200 479 2HB LEU 61 HB1 LEU 61 117.200 -21.077 10.444 480 HG LEU 61 HG LEU 61 117.805 -23.597 8.924 481 1HD1 LEU 61 HD11 LEU 61 119.631 -22.820 10.240 482 2HD1 LEU 61 HD12 LEU 61 118.951 -24.313 10.914 483 3HD1 LEU 61 HD13 LEU 61 118.619 -22.741 11.683 484 1HD2 LEU 61 HD21 LEU 61 115.529 -23.485 9.758 485 2HD2 LEU 61 HD22 LEU 61 116.118 -23.086 11.375 486 3HD2 LEU 61 HD23 LEU 61 116.467 -24.670 10.665 487 H LYS 62 HN LYS 62 118.521 -20.112 7.788 488 HA LYS 62 HA LYS 62 117.864 -17.483 8.465 489 1HB LYS 62 HB2 LYS 62 120.102 -18.586 6.873 490 2HB LYS 62 HB1 LYS 62 119.959 -16.858 7.078 491 1HG LYS 62 HG2 LYS 62 119.847 -17.415 9.611 492 2HG LYS 62 HG1 LYS 62 120.431 -19.006 9.133 493 1HD LYS 62 HD2 LYS 62 122.303 -17.642 9.802 494 2HD LYS 62 HD1 LYS 62 122.383 -17.911 8.061 495 1HE LYS 62 HE2 LYS 62 121.493 -15.706 7.628 496 2HE LYS 62 HE1 LYS 62 121.223 -15.437 9.350 497 1HZ LYS 62 HZ1 LYS 62 123.606 -15.549 9.698 498 2HZ LYS 62 HZ2 LYS 62 123.264 -14.332 8.609 499 3HZ LYS 62 HZ3 LYS 62 123.889 -15.799 8.068 500 H ALA 63 HN ALA 63 117.567 -19.023 5.288 501 HA ALA 63 HA ALA 63 117.153 -16.620 3.854 502 1HB ALA 63 HB1 ALA 63 115.911 -18.027 2.229 503 2HB ALA 63 HB2 ALA 63 116.074 -19.374 3.356 504 3HB ALA 63 HB3 ALA 63 117.519 -18.652 2.619 505 H LYS 64 HN LYS 64 114.951 -18.842 5.440 506 HA LYS 64 HA LYS 64 112.591 -17.514 4.714 507 1HB LYS 64 HB2 LYS 64 112.847 -19.862 5.617 508 2HB LYS 64 HB1 LYS 64 113.035 -19.148 7.205 509 1HG LYS 64 HG2 LYS 64 110.787 -19.970 6.875 510 2HG LYS 64 HG1 LYS 64 110.791 -18.217 7.060 511 1HD LYS 64 HD2 LYS 64 110.387 -17.875 4.741 512 2HD LYS 64 HD1 LYS 64 110.777 -19.556 4.354 513 1HE LYS 64 HE2 LYS 64 108.876 -20.334 5.488 514 2HE LYS 64 HE1 LYS 64 108.478 -18.720 6.101 515 1HZ LYS 64 HZ1 LYS 64 108.373 -19.544 3.202 516 2HZ LYS 64 HZ2 LYS 64 107.787 -18.078 3.923 517 3HZ LYS 64 HZ3 LYS 64 107.112 -19.518 4.293 518 H ALA 65 HN ALA 65 114.806 -17.091 7.394 519 HA ALA 65 HA ALA 65 113.242 -15.261 8.888 520 1HB ALA 65 HB1 ALA 65 115.166 -16.446 9.855 521 2HB ALA 65 HB2 ALA 65 115.330 -14.700 10.041 522 3HB ALA 65 HB3 ALA 65 116.248 -15.545 8.792 523 H ILE 66 HN ILE 66 115.892 -14.747 6.563 524 HA ILE 66 HA ILE 66 115.820 -11.928 6.549 525 HB ILE 66 HB ILE 66 116.739 -13.848 4.366 526 1HG1 ILE 66 HG12 ILE 66 118.335 -12.400 6.497 527 2HG1 ILE 66 HG11 ILE 66 117.925 -14.109 6.515 528 1HG2 ILE 66 HG21 ILE 66 118.104 -11.994 3.518 529 2HG2 ILE 66 HG22 ILE 66 117.303 -10.890 4.648 530 3HG2 ILE 66 HG23 ILE 66 116.372 -11.695 3.366 531 1HD1 ILE 66 HD11 ILE 66 119.278 -14.416 4.455 532 2HD1 ILE 66 HD12 ILE 66 120.214 -13.812 5.817 533 3HD1 ILE 66 HD13 ILE 66 119.731 -12.709 4.540 534 H TYR 67 HN TYR 67 114.142 -14.321 4.655 535 HA TYR 67 HA TYR 67 112.738 -12.792 2.777 536 1HB TYR 67 HB2 TYR 67 112.812 -15.208 2.759 537 2HB TYR 67 HB1 TYR 67 111.975 -15.279 4.300 538 HD1 TYR 67 HD1 TYR 67 109.686 -15.515 4.341 539 HD2 TYR 67 HD2 TYR 67 111.595 -14.091 0.853 540 HE1 TYR 67 HE1 TYR 67 107.550 -15.625 3.166 541 HE2 TYR 67 HE2 TYR 67 109.524 -14.131 -0.362 542 HH TYR 67 HH TYR 67 106.484 -14.555 1.217 543 H GLU 68 HN GLU 68 111.487 -13.970 5.894 544 HA GLU 68 HA GLU 68 109.046 -12.597 5.855 545 1HB GLU 68 HB2 GLU 68 110.679 -13.735 8.110 546 2HB GLU 68 HB1 GLU 68 109.039 -13.139 8.297 547 1HG GLU 68 HG2 GLU 68 109.613 -15.218 6.244 548 2HG GLU 68 HG1 GLU 68 109.488 -15.704 7.925 549 H LYS 69 HN LYS 69 112.185 -11.518 6.713 550 HA LYS 69 HA LYS 69 111.203 -9.323 8.344 551 1HB LYS 69 HB2 LYS 69 113.106 -10.626 9.110 552 2HB LYS 69 HB1 LYS 69 113.994 -10.223 7.654 553 1HG LYS 69 HG2 LYS 69 114.140 -7.940 8.304 554 2HG LYS 69 HG1 LYS 69 113.083 -8.205 9.698 555 1HD LYS 69 HD2 LYS 69 115.817 -9.433 9.258 556 2HD LYS 69 HD1 LYS 69 115.445 -8.104 10.356 557 1HE LYS 69 HE2 LYS 69 114.326 -10.905 10.549 558 2HE LYS 69 HE1 LYS 69 115.634 -10.258 11.539 559 1HZ LYS 69 HZ1 LYS 69 113.454 -10.182 12.676 560 2HZ LYS 69 HZ2 LYS 69 112.857 -9.193 11.467 561 3HZ LYS 69 HZ3 LYS 69 114.120 -8.639 12.448 562 H PHE 70 HN PHE 70 112.258 -9.871 5.079 563 HA PHE 70 HA PHE 70 112.615 -6.974 4.735 564 1HB PHE 70 HB2 PHE 70 114.457 -9.139 3.746 565 2HB PHE 70 HB1 PHE 70 114.492 -7.488 3.163 566 HD1 PHE 70 HD1 PHE 70 115.803 -9.776 5.485 567 HD2 PHE 70 HD2 PHE 70 114.837 -5.663 4.993 568 HE1 PHE 70 HE1 PHE 70 117.381 -9.198 7.268 569 HE2 PHE 70 HE2 PHE 70 116.416 -5.077 6.780 570 HZ PHE 70 HZ PHE 70 117.693 -6.846 7.916 571 H ILE 71 HN ILE 71 112.503 -10.016 2.977 572 HA ILE 71 HA ILE 71 111.798 -8.941 0.475 573 HB ILE 71 HB ILE 71 111.467 -11.751 1.572 574 1HG1 ILE 71 HG12 ILE 71 113.752 -11.026 1.680 575 2HG1 ILE 71 HG11 ILE 71 113.582 -12.188 0.369 576 1HG2 ILE 71 HG21 ILE 71 110.122 -11.212 -0.553 577 2HG2 ILE 71 HG22 ILE 71 111.156 -12.607 -0.512 578 3HG2 ILE 71 HG23 ILE 71 111.714 -11.151 -1.374 579 1HD1 ILE 71 HD11 ILE 71 115.020 -10.358 -0.288 580 2HD1 ILE 71 HD12 ILE 71 113.752 -9.196 0.089 581 3HD1 ILE 71 HD13 ILE 71 113.541 -10.308 -1.246 582 H GLN 72 HN GLN 72 110.010 -9.932 3.237 583 HA GLN 72 HA GLN 72 107.471 -10.262 2.013 584 1HB GLN 72 HB2 GLN 72 108.267 -11.129 4.257 585 2HB GLN 72 HB1 GLN 72 108.057 -9.480 4.860 586 1HG GLN 72 HG2 GLN 72 106.150 -10.789 5.453 587 2HG GLN 72 HG1 GLN 72 105.698 -9.605 4.244 588 1HE2 GLN 72 HE21 GLN 72 103.918 -10.867 3.779 589 2HE2 GLN 72 HE22 GLN 72 104.019 -12.256 2.756 590 H THR 73 HN THR 73 105.734 -8.717 1.976 591 HA THR 73 HA THR 73 106.715 -6.001 1.709 592 HB THR 73 HB THR 73 104.053 -7.254 1.018 593 HG1 THR 73 HG1 THR 73 105.079 -7.865 -0.696 594 1HG2 THR 73 HG21 THR 73 103.637 -5.195 -0.272 595 2HG2 THR 73 HG22 THR 73 105.161 -4.520 0.342 596 3HG2 THR 73 HG23 THR 73 103.839 -4.893 1.458 597 H ASP 74 HN ASP 74 104.415 -7.796 3.525 598 HA ASP 74 HA ASP 74 103.684 -5.593 5.261 599 1HB ASP 74 HB2 ASP 74 102.420 -7.263 6.583 600 2HB ASP 74 HB1 ASP 74 102.035 -7.367 4.872 601 H ALA 75 HN ALA 75 106.498 -6.796 4.969 602 HA ALA 75 HA ALA 75 107.305 -7.923 7.423 603 1HB ALA 75 HB1 ALA 75 108.615 -8.193 5.398 604 2HB ALA 75 HB2 ALA 75 109.569 -7.415 6.673 605 3HB ALA 75 HB3 ALA 75 108.930 -6.455 5.345 606 HA PRO 76 HA PRO 76 107.820 -4.387 10.052 607 1HB PRO 76 HB2 PRO 76 110.053 -5.117 11.434 608 2HB PRO 76 HB1 PRO 76 108.471 -5.850 11.722 609 1HG PRO 76 HG2 PRO 76 110.749 -6.867 10.062 610 2HG PRO 76 HG1 PRO 76 109.731 -7.751 11.221 611 1HD PRO 76 HD2 PRO 76 109.386 -7.878 8.573 612 2HD PRO 76 HD1 PRO 76 108.010 -7.958 9.679 613 H LYS 77 HN LYS 77 110.292 -5.425 7.906 614 HA LYS 77 HA LYS 77 111.633 -2.817 8.086 615 1HB LYS 77 HB2 LYS 77 112.640 -5.414 6.907 616 2HB LYS 77 HB1 LYS 77 113.518 -3.899 6.917 617 1HG LYS 77 HG2 LYS 77 112.653 -5.244 9.461 618 2HG LYS 77 HG1 LYS 77 114.144 -5.680 8.637 619 1HD LYS 77 HD2 LYS 77 114.670 -4.109 10.367 620 2HD LYS 77 HD1 LYS 77 114.868 -3.308 8.816 621 1HE LYS 77 HE2 LYS 77 112.657 -2.248 9.133 622 2HE LYS 77 HE1 LYS 77 112.543 -3.016 10.718 623 1HZ LYS 77 HZ1 LYS 77 114.581 -1.046 9.850 624 2HZ LYS 77 HZ2 LYS 77 114.615 -1.870 11.307 625 3HZ LYS 77 HZ3 LYS 77 113.349 -0.788 10.992 626 H GLU 78 HN GLU 78 111.091 -5.349 5.665 627 HA GLU 78 HA GLU 78 110.244 -5.405 3.611 628 1HB GLU 78 HB2 GLU 78 108.502 -3.770 4.730 629 2HB GLU 78 HB1 GLU 78 109.314 -2.527 3.810 630 1HG GLU 78 HG2 GLU 78 107.911 -4.934 2.657 631 2HG GLU 78 HG1 GLU 78 107.234 -3.322 2.781 632 H VAL 79 HN VAL 79 110.957 -4.701 1.430 633 HA VAL 79 HA VAL 79 113.365 -3.018 1.582 634 HB VAL 79 HB VAL 79 113.075 -5.576 -0.036 635 1HG1 VAL 79 HG11 VAL 79 114.544 -3.956 -1.102 636 2HG1 VAL 79 HG12 VAL 79 115.446 -5.346 -0.482 637 3HG1 VAL 79 HG13 VAL 79 115.474 -3.815 0.395 638 1HG2 VAL 79 HG21 VAL 79 113.252 -6.019 2.331 639 2HG2 VAL 79 HG22 VAL 79 114.732 -5.065 2.414 640 3HG2 VAL 79 HG23 VAL 79 114.682 -6.561 1.471 641 H ASN 80 HN ASN 80 113.770 -1.771 -0.195 642 HA ASN 80 HA ASN 80 111.595 -1.079 -1.948 643 1HB ASN 80 HB2 ASN 80 114.505 -0.232 -2.082 644 2HB ASN 80 HB1 ASN 80 113.123 0.617 -2.764 645 1HD2 ASN 80 HD21 ASN 80 111.728 1.696 -1.373 646 2HD2 ASN 80 HD22 ASN 80 112.200 2.122 0.242 647 H LEU 81 HN LEU 81 112.039 -3.624 -2.321 648 HA LEU 81 HA LEU 81 113.983 -4.200 -4.389 649 1HB LEU 81 HB2 LEU 81 113.953 -5.581 -2.551 650 2HB LEU 81 HB1 LEU 81 112.214 -5.933 -2.654 651 HG LEU 81 HG LEU 81 112.954 -7.043 -4.912 652 1HD1 LEU 81 HD11 LEU 81 115.247 -7.747 -4.925 653 2HD1 LEU 81 HD12 LEU 81 115.558 -6.791 -3.480 654 3HD1 LEU 81 HD13 LEU 81 115.102 -5.989 -4.989 655 1HD2 LEU 81 HD21 LEU 81 113.815 -8.228 -2.242 656 2HD2 LEU 81 HD22 LEU 81 113.554 -9.112 -3.732 657 3HD2 LEU 81 HD23 LEU 81 112.203 -8.327 -2.937 658 H ASP 82 HN ASP 82 113.494 -4.743 -6.347 659 HA ASP 82 HA ASP 82 111.265 -4.122 -7.805 660 1HB ASP 82 HB2 ASP 82 113.352 -4.672 -8.852 661 2HB ASP 82 HB1 ASP 82 113.306 -6.306 -8.211 662 H PHE 83 HN PHE 83 109.318 -4.978 -8.161 663 HA PHE 83 HA PHE 83 108.158 -6.770 -6.406 664 1HB PHE 83 HB2 PHE 83 106.874 -5.094 -7.652 665 2HB PHE 83 HB1 PHE 83 107.165 -5.969 -9.149 666 HD1 PHE 83 HD1 PHE 83 105.505 -6.186 -5.848 667 HD2 PHE 83 HD2 PHE 83 105.763 -7.750 -9.796 668 HE1 PHE 83 HE1 PHE 83 103.459 -7.494 -5.460 669 HE2 PHE 83 HE2 PHE 83 103.717 -9.063 -9.416 670 HZ PHE 83 HZ PHE 83 102.562 -8.933 -7.244 671 H HIS 84 HN HIS 84 109.232 -7.412 -9.746 672 HA HIS 84 HA HIS 84 108.336 -10.104 -9.644 673 1HB HIS 84 HB2 HIS 84 108.624 -9.046 -11.818 674 2HB HIS 84 HB1 HIS 84 110.340 -8.811 -11.515 675 HD1 HIS 84 HD1 HIS 84 107.965 -11.874 -11.699 676 HD2 HIS 84 HD2 HIS 84 111.835 -10.703 -12.728 677 HE1 HIS 84 HE1 HIS 84 108.960 -13.805 -12.877 678 HE2 HIS 84 HE2 HIS 84 111.207 -13.029 -13.668 679 H THR 85 HN THR 85 111.297 -8.558 -8.781 680 HA THR 85 HA THR 85 112.835 -10.867 -8.403 681 HB THR 85 HB THR 85 112.985 -8.260 -6.874 682 HG1 THR 85 HG1 THR 85 113.140 -8.169 -9.247 683 1HG2 THR 85 HG21 THR 85 114.310 -10.017 -5.763 684 2HG2 THR 85 HG22 THR 85 115.375 -8.898 -6.579 685 3HG2 THR 85 HG23 THR 85 115.030 -10.461 -7.310 686 H LYS 86 HN LYS 86 110.880 -9.013 -6.015 687 HA LYS 86 HA LYS 86 111.271 -10.970 -4.001 688 1HB LYS 86 HB2 LYS 86 109.427 -9.921 -2.702 689 2HB LYS 86 HB1 LYS 86 110.601 -8.766 -3.310 690 1HG LYS 86 HG2 LYS 86 109.106 -7.895 -4.886 691 2HG LYS 86 HG1 LYS 86 108.003 -9.259 -4.713 692 1HD LYS 86 HD2 LYS 86 107.147 -7.225 -3.601 693 2HD LYS 86 HD1 LYS 86 107.411 -8.544 -2.467 694 1HE LYS 86 HE2 LYS 86 109.502 -7.498 -1.732 695 2HE LYS 86 HE1 LYS 86 109.286 -6.208 -2.915 696 1HZ LYS 86 HZ1 LYS 86 108.533 -5.542 -0.631 697 2HZ LYS 86 HZ2 LYS 86 107.365 -6.762 -0.699 698 3HZ LYS 86 HZ3 LYS 86 107.297 -5.506 -1.776 699 H GLU 87 HN GLU 87 108.949 -10.667 -6.500 700 HA GLU 87 HA GLU 87 107.088 -12.616 -5.808 701 1HB GLU 87 HB2 GLU 87 106.764 -11.218 -7.745 702 2HB GLU 87 HB1 GLU 87 108.196 -11.880 -8.513 703 1HG GLU 87 HG2 GLU 87 107.117 -14.034 -8.711 704 2HG GLU 87 HG1 GLU 87 105.668 -13.399 -7.917 705 H VAL 88 HN VAL 88 110.074 -13.056 -7.703 706 HA VAL 88 HA VAL 88 109.859 -15.842 -7.923 707 HB VAL 88 HB VAL 88 112.394 -14.160 -7.958 708 1HG1 VAL 88 HG11 VAL 88 113.385 -16.019 -9.228 709 2HG1 VAL 88 HG12 VAL 88 111.904 -16.951 -9.002 710 3HG1 VAL 88 HG13 VAL 88 112.899 -16.530 -7.609 711 1HG2 VAL 88 HG21 VAL 88 110.765 -13.459 -9.623 712 2HG2 VAL 88 HG22 VAL 88 110.631 -15.116 -10.207 713 3HG2 VAL 88 HG23 VAL 88 112.150 -14.235 -10.391 714 H ILE 89 HN ILE 89 111.295 -13.811 -5.468 715 HA ILE 89 HA ILE 89 112.507 -15.882 -3.973 716 HB ILE 89 HB ILE 89 111.476 -13.234 -2.916 717 1HG1 ILE 89 HG12 ILE 89 114.233 -13.969 -3.919 718 2HG1 ILE 89 HG11 ILE 89 113.062 -13.001 -4.808 719 1HG2 ILE 89 HG21 ILE 89 111.963 -14.936 -1.176 720 2HG2 ILE 89 HG22 ILE 89 113.017 -13.545 -1.095 721 3HG2 ILE 89 HG23 ILE 89 113.622 -15.063 -1.783 722 1HD1 ILE 89 HD11 ILE 89 113.097 -11.393 -2.899 723 2HD1 ILE 89 HD12 ILE 89 114.595 -11.512 -3.827 724 3HD1 ILE 89 HD13 ILE 89 114.462 -12.305 -2.253 725 H THR 90 HN THR 90 109.286 -14.339 -3.711 726 HA THR 90 HA THR 90 108.465 -15.766 -1.455 727 HB THR 90 HB THR 90 106.114 -15.270 -2.099 728 HG1 THR 90 HG1 THR 90 107.272 -14.764 -4.610 729 1HG2 THR 90 HG21 THR 90 107.388 -13.527 -0.980 730 2HG2 THR 90 HG22 THR 90 106.276 -12.818 -2.152 731 3HG2 THR 90 HG23 THR 90 107.993 -12.948 -2.533 732 H ASN 91 HN ASN 91 108.610 -16.728 -4.759 733 HA ASN 91 HA ASN 91 107.038 -19.114 -4.295 734 1HB ASN 91 HB2 ASN 91 108.469 -18.107 -6.751 735 2HB ASN 91 HB1 ASN 91 107.499 -19.576 -6.691 736 1HD2 ASN 91 HD21 ASN 91 107.218 -17.036 -8.175 737 2HD2 ASN 91 HD22 ASN 91 105.621 -16.476 -7.832 738 H SER 92 HN SER 92 110.363 -18.196 -4.292 739 HA SER 92 HA SER 92 111.181 -21.002 -4.532 740 1HB SER 92 HB2 SER 92 112.874 -18.514 -4.718 741 2HB SER 92 HB1 SER 92 113.400 -20.169 -5.037 742 HG SER 92 HG SER 92 111.682 -18.508 -6.495 743 H ILE 93 HN ILE 93 110.517 -18.854 -2.091 744 HA ILE 93 HA ILE 93 112.810 -19.268 -0.454 745 HB ILE 93 HB ILE 93 111.281 -17.314 -0.193 746 1HG1 ILE 93 HG12 ILE 93 111.261 -17.242 2.249 747 2HG1 ILE 93 HG11 ILE 93 111.640 -18.951 2.353 748 1HG2 ILE 93 HG21 ILE 93 109.395 -19.302 0.999 749 2HG2 ILE 93 HG22 ILE 93 109.184 -18.422 -0.500 750 3HG2 ILE 93 HG23 ILE 93 109.185 -17.544 1.044 751 1HD1 ILE 93 HD11 ILE 93 113.774 -18.418 1.062 752 2HD1 ILE 93 HD12 ILE 93 113.693 -17.674 2.641 753 3HD1 ILE 93 HD13 ILE 93 113.322 -16.718 1.202 754 H THR 94 HN THR 94 109.944 -20.979 -1.027 755 HA THR 94 HA THR 94 109.815 -22.824 1.044 756 HB THR 94 HB THR 94 108.067 -22.596 -0.649 757 HG1 THR 94 HG1 THR 94 107.661 -24.514 -0.059 758 1HG2 THR 94 HG21 THR 94 109.451 -22.110 -2.581 759 2HG2 THR 94 HG22 THR 94 108.349 -23.445 -2.936 760 3HG2 THR 94 HG23 THR 94 110.052 -23.768 -2.595 761 H GLN 95 HN GLN 95 112.244 -22.476 -1.400 762 HA GLN 95 HA GLN 95 113.745 -24.653 -0.381 763 1HB GLN 95 HB2 GLN 95 114.114 -25.659 -2.674 764 2HB GLN 95 HB1 GLN 95 112.525 -25.944 -1.987 765 1HG GLN 95 HG2 GLN 95 111.611 -24.144 -3.388 766 2HG GLN 95 HG1 GLN 95 113.212 -23.897 -4.088 767 1HE2 GLN 95 HE21 GLN 95 114.020 -25.415 -5.515 768 2HE2 GLN 95 HE22 GLN 95 113.002 -26.634 -6.216 769 HA PRO 96 HA PRO 96 115.978 -20.871 -1.671 770 1HB PRO 96 HB2 PRO 96 117.263 -20.414 0.625 771 2HB PRO 96 HB1 PRO 96 115.562 -19.989 0.406 772 1HG PRO 96 HG2 PRO 96 116.764 -22.343 1.804 773 2HG PRO 96 HG1 PRO 96 115.386 -21.335 2.287 774 1HD PRO 96 HD2 PRO 96 115.148 -23.791 1.056 775 2HD PRO 96 HD1 PRO 96 113.924 -22.512 0.995 776 H THR 97 HN THR 97 118.140 -20.462 -2.118 777 HA THR 97 HA THR 97 119.998 -22.706 -1.790 778 HB THR 97 HB THR 97 121.047 -21.690 -3.898 779 HG1 THR 97 HG1 THR 97 118.440 -20.568 -4.084 780 1HG2 THR 97 HG21 THR 97 119.840 -23.786 -3.893 781 2HG2 THR 97 HG22 THR 97 119.492 -22.887 -5.376 782 3HG2 THR 97 HG23 THR 97 118.303 -22.939 -4.063 783 H LEU 98 HN LEU 98 122.327 -21.505 -2.479 784 HA LEU 98 HA LEU 98 122.990 -19.893 -0.209 785 1HB LEU 98 HB2 LEU 98 124.548 -20.377 -2.774 786 2HB LEU 98 HB1 LEU 98 125.184 -19.539 -1.384 787 HG LEU 98 HG LEU 98 126.122 -21.704 -1.434 788 1HD1 LEU 98 HD11 LEU 98 125.630 -20.906 0.752 789 2HD1 LEU 98 HD12 LEU 98 125.427 -22.658 0.684 790 3HD1 LEU 98 HD13 LEU 98 124.013 -21.609 0.684 791 1HD2 LEU 98 HD21 LEU 98 123.325 -22.829 -1.545 792 2HD2 LEU 98 HD22 LEU 98 124.803 -23.776 -1.368 793 3HD2 LEU 98 HD23 LEU 98 124.516 -22.856 -2.844 794 H HIS 99 HN HIS 99 122.407 -19.351 -3.568 795 HA HIS 99 HA HIS 99 122.415 -16.460 -3.147 796 1HB HIS 99 HB2 HIS 99 122.700 -18.150 -5.631 797 2HB HIS 99 HB1 HIS 99 122.316 -16.435 -5.724 798 HD1 HIS 99 HD1 HIS 99 124.270 -14.937 -5.870 799 HD2 HIS 99 HD2 HIS 99 125.263 -18.589 -4.156 800 HE1 HIS 99 HE1 HIS 99 126.719 -14.791 -5.329 801 HE2 HIS 99 HE2 HIS 99 127.325 -17.029 -4.378 802 H SER 100 HN SER 100 120.402 -17.577 -1.951 803 HA SER 100 HA SER 100 118.073 -18.059 -3.428 804 1HB SER 100 HB2 SER 100 117.075 -17.486 -1.066 805 2HB SER 100 HB1 SER 100 118.080 -18.921 -1.269 806 HG SER 100 HG SER 100 119.451 -18.091 0.019 807 H PHE 101 HN PHE 101 119.517 -15.191 -2.088 808 HA PHE 101 HA PHE 101 117.301 -13.549 -3.104 809 1HB PHE 101 HB2 PHE 101 119.466 -12.788 -1.126 810 2HB PHE 101 HB1 PHE 101 118.042 -11.849 -1.544 811 HD1 PHE 101 HD1 PHE 101 115.763 -12.797 -0.898 812 HD2 PHE 101 HD2 PHE 101 119.437 -14.314 0.620 813 HE1 PHE 101 HE1 PHE 101 114.563 -13.836 0.990 814 HE2 PHE 101 HE2 PHE 101 118.228 -15.355 2.498 815 HZ PHE 101 HZ PHE 101 115.797 -15.115 2.670 816 H ASP 102 HN ASP 102 119.539 -14.718 -4.660 817 HA ASP 102 HA ASP 102 121.707 -13.007 -5.125 818 1HB ASP 102 HB2 ASP 102 121.574 -15.291 -6.000 819 2HB ASP 102 HB1 ASP 102 120.323 -14.784 -7.130 820 H ALA 103 HN ALA 103 118.581 -13.115 -6.758 821 HA ALA 103 HA ALA 103 119.167 -11.063 -8.624 822 1HB ALA 103 HB1 ALA 103 117.352 -12.711 -8.948 823 2HB ALA 103 HB2 ALA 103 116.787 -11.046 -9.096 824 3HB ALA 103 HB3 ALA 103 116.454 -11.954 -7.628 825 H ALA 104 HN ALA 104 117.808 -11.152 -5.462 826 HA ALA 104 HA ALA 104 116.947 -8.436 -5.436 827 1HB ALA 104 HB1 ALA 104 116.461 -8.859 -3.071 828 2HB ALA 104 HB2 ALA 104 117.216 -10.467 -3.217 829 3HB ALA 104 HB3 ALA 104 115.786 -10.034 -4.190 830 H GLN 105 HN GLN 105 119.767 -10.166 -4.500 831 HA GLN 105 HA GLN 105 121.169 -8.260 -3.020 832 1HB GLN 105 HB2 GLN 105 121.705 -10.744 -3.486 833 2HB GLN 105 HB1 GLN 105 122.325 -10.229 -5.035 834 1HG GLN 105 HG2 GLN 105 123.418 -9.360 -2.362 835 2HG GLN 105 HG1 GLN 105 124.044 -10.687 -3.317 836 1HE2 GLN 105 HE21 GLN 105 125.291 -8.225 -2.399 837 2HE2 GLN 105 HE22 GLN 105 125.895 -7.422 -3.801 838 H SER 106 HN SER 106 121.076 -8.967 -6.490 839 HA SER 106 HA SER 106 122.657 -6.810 -7.336 840 1HB SER 106 HB2 SER 106 122.250 -8.768 -8.758 841 2HB SER 106 HB1 SER 106 120.536 -8.380 -8.837 842 HG SER 106 HG SER 106 120.892 -6.887 -10.233 843 H ARG 107 HN ARG 107 119.134 -7.176 -7.012 844 HA ARG 107 HA ARG 107 118.316 -4.733 -8.070 845 1HB ARG 107 HB2 ARG 107 117.071 -6.421 -5.939 846 2HB ARG 107 HB1 ARG 107 116.315 -4.981 -6.598 847 1HG ARG 107 HG2 ARG 107 117.053 -7.469 -8.113 848 2HG ARG 107 HG1 ARG 107 115.433 -6.945 -7.623 849 1HD ARG 107 HD2 ARG 107 115.676 -4.934 -8.992 850 2HD ARG 107 HD1 ARG 107 117.279 -5.467 -9.493 851 HE ARG 107 HE ARG 107 115.372 -7.455 -10.071 852 1HH1 ARG 107 HH11 ARG 107 116.544 -4.317 -11.225 853 2HH1 ARG 107 HH12 ARG 107 115.896 -4.479 -12.788 854 1HH2 ARG 107 HH21 ARG 107 114.591 -7.738 -12.221 855 2HH2 ARG 107 HH22 ARG 107 114.788 -6.490 -13.396 856 H VAL 108 HN VAL 108 118.975 -5.445 -4.667 857 HA VAL 108 HA VAL 108 118.441 -2.766 -3.916 858 HB VAL 108 HB VAL 108 119.853 -4.981 -2.419 859 1HG1 VAL 108 HG11 VAL 108 119.543 -3.619 -0.416 860 2HG1 VAL 108 HG12 VAL 108 118.859 -2.317 -1.390 861 3HG1 VAL 108 HG13 VAL 108 120.558 -2.756 -1.573 862 1HG2 VAL 108 HG21 VAL 108 117.546 -5.390 -2.954 863 2HG2 VAL 108 HG22 VAL 108 117.099 -3.819 -2.300 864 3HG2 VAL 108 HG23 VAL 108 117.715 -5.081 -1.220 865 H TYR 109 HN TYR 109 121.329 -4.442 -4.828 866 HA TYR 109 HA TYR 109 123.197 -2.493 -4.180 867 1HB TYR 109 HB2 TYR 109 124.032 -4.584 -4.800 868 2HB TYR 109 HB1 TYR 109 123.030 -4.674 -6.232 869 HD1 TYR 109 HD1 TYR 109 123.692 -3.483 -8.254 870 HD2 TYR 109 HD2 TYR 109 126.194 -3.541 -4.827 871 HE1 TYR 109 HE1 TYR 109 125.495 -2.765 -9.628 872 HE2 TYR 109 HE2 TYR 109 128.091 -2.796 -6.206 873 HH TYR 109 HH TYR 109 128.678 -3.010 -8.694 874 H GLN 110 HN GLN 110 121.419 -2.964 -7.259 875 HA GLN 110 HA GLN 110 122.495 -0.584 -8.414 876 1HB GLN 110 HB2 GLN 110 120.707 -0.897 -10.172 877 2HB GLN 110 HB1 GLN 110 121.801 -2.256 -9.957 878 1HG GLN 110 HG2 GLN 110 120.215 -3.503 -8.842 879 2HG GLN 110 HG1 GLN 110 119.171 -2.122 -8.573 880 1HE2 GLN 110 HE21 GLN 110 120.755 -2.814 -11.620 881 2HE2 GLN 110 HE22 GLN 110 119.328 -3.252 -12.490 882 H LEU 111 HN LEU 111 119.621 -1.354 -6.657 883 HA LEU 111 HA LEU 111 118.081 0.915 -6.857 884 1HB LEU 111 HB2 LEU 111 117.415 -1.079 -5.700 885 2HB LEU 111 HB1 LEU 111 118.708 -0.889 -4.543 886 HG LEU 111 HG LEU 111 117.578 1.212 -3.805 887 1HD1 LEU 111 HD11 LEU 111 115.315 0.069 -5.429 888 2HD1 LEU 111 HD12 LEU 111 116.169 1.579 -5.744 889 3HD1 LEU 111 HD13 LEU 111 115.182 1.410 -4.290 890 1HD2 LEU 111 HD21 LEU 111 116.176 -1.427 -3.486 891 2HD2 LEU 111 HD22 LEU 111 115.990 -0.039 -2.411 892 3HD2 LEU 111 HD23 LEU 111 117.553 -0.854 -2.555 893 H MET 112 HN MET 112 120.559 0.172 -4.415 894 HA MET 112 HA MET 112 120.519 2.748 -3.291 895 1HB MET 112 HB2 MET 112 122.621 0.606 -3.116 896 2HB MET 112 HB1 MET 112 122.664 2.104 -2.197 897 1HG MET 112 HG2 MET 112 120.552 1.504 -1.128 898 2HG MET 112 HG1 MET 112 120.521 -0.001 -2.046 899 1HE MET 112 HE1 MET 112 123.629 -0.687 -2.075 900 2HE MET 112 HE2 MET 112 122.362 -1.884 -1.803 901 3HE MET 112 HE3 MET 112 123.730 -1.780 -0.696 902 H GLU 113 HN GLU 113 122.355 1.356 -5.864 903 HA GLU 113 HA GLU 113 124.307 3.323 -6.173 904 1HB GLU 113 HB2 GLU 113 124.219 1.078 -7.309 905 2HB GLU 113 HB1 GLU 113 122.937 1.681 -8.331 906 1HG GLU 113 HG2 GLU 113 125.715 2.851 -8.292 907 2HG GLU 113 HG1 GLU 113 125.241 1.528 -9.344 908 H GLN 114 HN GLN 114 121.253 3.023 -8.026 909 HA GLN 114 HA GLN 114 121.599 5.645 -9.043 910 1HB GLN 114 HB2 GLN 114 119.411 5.335 -10.188 911 2HB GLN 114 HB1 GLN 114 120.617 4.123 -10.539 912 1HG GLN 114 HG2 GLN 114 118.611 2.946 -10.402 913 2HG GLN 114 HG1 GLN 114 119.387 2.646 -8.859 914 1HE2 GLN 114 HE21 GLN 114 118.369 3.397 -6.975 915 2HE2 GLN 114 HE22 GLN 114 116.775 4.041 -6.999 916 H ASP 115 HN ASP 115 120.466 4.787 -6.111 917 HA ASP 115 HA ASP 115 118.781 7.200 -6.027 918 1HB ASP 115 HB2 ASP 115 117.539 5.150 -5.500 919 2HB ASP 115 HB1 ASP 115 118.638 4.844 -4.157 920 H SER 116 HN SER 116 121.108 5.392 -3.993 921 HA SER 116 HA SER 116 121.361 7.847 -2.433 922 1HB SER 116 HB2 SER 116 121.968 5.010 -1.600 923 2HB SER 116 HB1 SER 116 122.059 6.443 -0.571 924 HG SER 116 HG SER 116 119.771 6.743 -1.283 925 H TYR 117 HN TYR 117 123.188 5.812 -4.587 926 HA TYR 117 HA TYR 117 125.735 6.269 -3.413 927 1HB TYR 117 HB2 TYR 117 125.496 4.338 -4.701 928 2HB TYR 117 HB1 TYR 117 124.760 5.241 -6.046 929 HD1 TYR 117 HD1 TYR 117 126.002 4.973 -7.888 930 HD2 TYR 117 HD2 TYR 117 128.051 5.561 -4.212 931 HE1 TYR 117 HE1 TYR 117 128.132 4.948 -9.087 932 HE2 TYR 117 HE2 TYR 117 130.203 5.541 -5.427 933 HH TYR 117 HH TYR 117 131.142 4.891 -7.443 934 H THR 118 HN THR 118 123.887 7.838 -5.898 935 HA THR 118 HA THR 118 125.855 9.645 -6.744 936 HB THR 118 HB THR 118 123.740 10.938 -7.454 937 HG1 THR 118 HG1 THR 118 121.865 9.479 -7.330 938 1HG2 THR 118 HG21 THR 118 124.087 8.044 -8.262 939 2HG2 THR 118 HG22 THR 118 124.978 9.410 -8.934 940 3HG2 THR 118 HG23 THR 118 123.238 9.273 -9.200 941 H ARG 119 HN ARG 119 123.255 9.863 -4.410 942 HA ARG 119 HA ARG 119 123.792 12.418 -3.370 943 1HB ARG 119 HB2 ARG 119 122.528 10.009 -2.082 944 2HB ARG 119 HB1 ARG 119 122.665 11.555 -1.266 945 1HG ARG 119 HG2 ARG 119 121.293 12.596 -3.000 946 2HG ARG 119 HG1 ARG 119 121.168 11.035 -3.825 947 1HD ARG 119 HD2 ARG 119 119.198 11.566 -2.405 948 2HD ARG 119 HD1 ARG 119 120.016 10.068 -1.953 949 HE ARG 119 HE ARG 119 120.517 12.603 -0.543 950 1HH1 ARG 119 HH11 ARG 119 119.487 9.186 -0.414 951 2HH1 ARG 119 HH12 ARG 119 119.704 9.082 1.279 952 1HH2 ARG 119 HH21 ARG 119 120.638 12.426 1.797 953 2HH2 ARG 119 HH22 ARG 119 120.346 10.918 2.539 954 H PHE 120 HN PHE 120 124.995 9.248 -2.418 955 HA PHE 120 HA PHE 120 126.566 9.991 -0.273 956 1HB PHE 120 HB2 PHE 120 126.238 7.661 -0.657 957 2HB PHE 120 HB1 PHE 120 126.881 7.765 -2.290 958 HD1 PHE 120 HD1 PHE 120 127.875 8.171 1.280 959 HD2 PHE 120 HD2 PHE 120 129.098 7.269 -2.695 960 HE1 PHE 120 HE1 PHE 120 130.123 7.569 2.097 961 HE2 PHE 120 HE2 PHE 120 131.331 6.670 -1.880 962 HZ PHE 120 HZ PHE 120 131.843 6.824 0.517 963 H LEU 121 HN LEU 121 127.418 9.822 -3.715 964 HA LEU 121 HA LEU 121 130.055 10.678 -3.336 965 1HB LEU 121 HB2 LEU 121 128.302 10.800 -5.763 966 2HB LEU 121 HB1 LEU 121 129.992 11.268 -5.770 967 HG LEU 121 HG LEU 121 128.921 8.523 -5.140 968 1HD1 LEU 121 HD11 LEU 121 130.013 7.894 -7.227 969 2HD1 LEU 121 HD12 LEU 121 130.463 9.576 -7.503 970 3HD1 LEU 121 HD13 LEU 121 128.764 9.108 -7.498 971 1HD2 LEU 121 HD21 LEU 121 130.936 9.013 -3.831 972 2HD2 LEU 121 HD22 LEU 121 131.753 9.575 -5.259 973 3HD2 LEU 121 HD23 LEU 121 131.316 7.870 -5.119 974 H LYS 122 HN LYS 122 127.158 12.504 -3.317 975 HA LYS 122 HA LYS 122 128.889 14.867 -3.343 976 1HB LYS 122 HB2 LYS 122 126.985 14.609 -5.077 977 2HB LYS 122 HB1 LYS 122 125.920 15.035 -3.746 978 1HG LYS 122 HG2 LYS 122 126.485 16.989 -5.115 979 2HG LYS 122 HG1 LYS 122 127.090 17.160 -3.464 980 1HD LYS 122 HD2 LYS 122 128.764 17.887 -5.137 981 2HD LYS 122 HD1 LYS 122 129.334 16.507 -4.195 982 1HE LYS 122 HE2 LYS 122 128.686 15.013 -5.981 983 2HE LYS 122 HE1 LYS 122 128.124 16.376 -6.962 984 1HZ LYS 122 HZ1 LYS 122 130.266 15.768 -7.722 985 2HZ LYS 122 HZ2 LYS 122 130.887 15.656 -6.163 986 3HZ LYS 122 HZ3 LYS 122 130.550 17.173 -6.799 987 H SER 123 HN SER 123 127.864 12.925 -1.054 988 HA SER 123 HA SER 123 126.625 14.777 0.737 989 1HB SER 123 HB2 SER 123 126.923 13.000 2.390 990 2HB SER 123 HB1 SER 123 126.282 12.330 0.891 991 HG SER 123 HG SER 123 128.300 11.514 0.401 992 H ASP 124 HN ASP 124 127.623 15.687 2.634 993 HA ASP 124 HA ASP 124 130.238 16.670 2.382 994 1HB ASP 124 HB2 ASP 124 128.568 17.749 3.843 995 2HB ASP 124 HB1 ASP 124 128.544 16.336 4.885 996 H ILE 125 HN ILE 125 128.947 13.772 3.758 997 HA ILE 125 HA ILE 125 131.100 12.682 5.098 998 HB ILE 125 HB ILE 125 128.816 11.565 3.538 999 1HG1 ILE 125 HG12 ILE 125 129.672 11.207 6.415 1000 2HG1 ILE 125 HG11 ILE 125 128.469 12.346 5.826 1001 1HG2 ILE 125 HG21 ILE 125 129.415 9.228 4.052 1002 2HG2 ILE 125 HG22 ILE 125 131.049 9.783 4.479 1003 3HG2 ILE 125 HG23 ILE 125 130.396 10.060 2.852 1004 1HD1 ILE 125 HD11 ILE 125 128.269 9.344 5.726 1005 2HD1 ILE 125 HD12 ILE 125 127.057 10.473 5.124 1006 3HD1 ILE 125 HD13 ILE 125 127.426 10.410 6.848 1007 H TYR 126 HN TYR 126 130.322 12.159 1.666 1008 HA TYR 126 HA TYR 126 132.784 10.883 1.108 1009 1HB TYR 126 HB2 TYR 126 130.815 10.482 -0.254 1010 2HB TYR 126 HB1 TYR 126 130.825 12.155 -0.790 1011 HD1 TYR 126 HD1 TYR 126 132.256 12.871 -2.537 1012 HD2 TYR 126 HD2 TYR 126 132.601 8.941 -0.979 1013 HE1 TYR 126 HE1 TYR 126 133.705 12.281 -4.394 1014 HE2 TYR 126 HE2 TYR 126 134.039 8.304 -2.819 1015 HH TYR 126 HH TYR 126 134.732 8.962 -4.881 1016 H LEU 127 HN LEU 127 131.677 14.196 0.664 1017 HA LEU 127 HA LEU 127 133.983 15.027 -0.662 1018 1HB LEU 127 HB2 LEU 127 131.789 16.437 0.749 1019 2HB LEU 127 HB1 LEU 127 133.259 17.365 0.460 1020 HG LEU 127 HG LEU 127 131.621 17.829 -1.206 1021 1HD1 LEU 127 HD11 LEU 127 132.810 17.244 -3.257 1022 2HD1 LEU 127 HD12 LEU 127 133.774 16.074 -2.355 1023 3HD1 LEU 127 HD13 LEU 127 133.899 17.793 -1.984 1024 1HD2 LEU 127 HD21 LEU 127 131.553 14.878 -1.821 1025 2HD2 LEU 127 HD22 LEU 127 130.706 16.140 -2.719 1026 3HD2 LEU 127 HD23 LEU 127 130.280 15.810 -1.038 1027 H ASP 128 HN ASP 128 133.382 14.563 2.749 1028 HA ASP 128 HA ASP 128 135.818 15.831 3.578 1029 1HB ASP 128 HB2 ASP 128 133.953 15.598 5.158 1030 2HB ASP 128 HB1 ASP 128 134.090 13.847 5.075 1031 H LEU 129 HN LEU 129 134.970 12.648 2.452 1032 HA LEU 129 HA LEU 129 137.310 11.271 3.275 1033 1HB LEU 129 HB2 LEU 129 135.977 10.715 0.576 1034 2HB LEU 129 HB1 LEU 129 136.899 9.679 1.593 1035 HG LEU 129 HG LEU 129 134.226 10.697 2.481 1036 1HD1 LEU 129 HD11 LEU 129 134.942 8.094 1.161 1037 2HD1 LEU 129 HD12 LEU 129 134.009 9.401 0.438 1038 3HD1 LEU 129 HD13 LEU 129 133.365 8.523 1.831 1039 1HD2 LEU 129 HD21 LEU 129 134.386 8.839 4.055 1040 2HD2 LEU 129 HD22 LEU 129 135.729 9.964 4.258 1041 3HD2 LEU 129 HD23 LEU 129 135.981 8.433 3.421 1042 H MET 130 HN MET 130 136.546 13.340 0.613 1043 HA MET 130 HA MET 130 139.123 13.286 -0.598 1044 1HB MET 130 HB2 MET 130 136.915 15.371 -0.711 1045 2HB MET 130 HB1 MET 130 138.355 15.396 -1.720 1046 1HG MET 130 HG2 MET 130 136.134 13.287 -1.832 1047 2HG MET 130 HG1 MET 130 136.556 14.524 -2.989 1048 1HE MET 130 HE1 MET 130 136.286 11.352 -3.235 1049 2HE MET 130 HE2 MET 130 137.536 11.025 -4.428 1050 3HE MET 130 HE3 MET 130 136.456 12.413 -4.638 1051 H GLU 131 HN GLU 131 137.489 15.876 1.135 1052 HA GLU 131 HA GLU 131 139.132 16.193 3.246 1053 1HB GLU 131 HB2 GLU 131 140.191 18.526 2.569 1054 2HB GLU 131 HB1 GLU 131 141.030 17.039 2.204 1055 1HG GLU 131 HG2 GLU 131 141.164 18.640 0.373 1056 2HG GLU 131 HG1 GLU 131 140.311 17.181 -0.112 1057 H GLY 132 HN GLY 132 137.217 17.979 0.948 1058 1HA GLY 132 HA2 GLY 132 135.191 18.967 1.184 1059 2HA GLY 132 HA1 GLY 132 135.066 18.186 2.749 1060 H ARG 133 HN ARG 133 137.551 20.485 1.771 1061 HA ARG 133 HA ARG 133 136.267 22.597 3.238 1062 1HB ARG 133 HB2 ARG 133 137.278 21.190 4.996 1063 2HB ARG 133 HB1 ARG 133 138.838 21.363 4.216 1064 1HG ARG 133 HG2 ARG 133 138.809 23.750 4.675 1065 2HG ARG 133 HG1 ARG 133 137.227 23.578 5.451 1066 1HD ARG 133 HD2 ARG 133 138.161 22.045 7.070 1067 2HD ARG 133 HD1 ARG 133 139.731 22.141 6.286 1068 HE ARG 133 HE ARG 133 138.648 24.641 7.160 1069 1HH1 ARG 133 HH11 ARG 133 140.570 21.795 8.110 1070 2HH1 ARG 133 HH12 ARG 133 141.477 22.611 9.292 1071 1HH2 ARG 133 HH21 ARG 133 139.896 25.773 8.838 1072 2HH2 ARG 133 HH22 ARG 133 141.070 24.935 9.742 1073 HA PRO 134 HA PRO 134 138.976 24.158 -0.040 1074 1HB PRO 134 HB2 PRO 134 137.013 26.204 -0.527 1075 2HB PRO 134 HB1 PRO 134 137.410 24.818 -1.547 1076 1HG PRO 134 HG2 PRO 134 135.013 25.145 -0.227 1077 2HG PRO 134 HG1 PRO 134 135.665 23.581 -0.746 1078 1HD PRO 134 HD2 PRO 134 135.731 24.865 1.955 1079 2HD PRO 134 HD1 PRO 134 135.473 23.160 1.523
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