NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
4814 | 1fuw | 4633 | cing | recoord | dress | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 HT1 GLY 1 153.984 -3.077 17.498 2 2H GLY 1 HT2 GLY 1 152.902 -4.327 17.855 3 3H GLY 1 HT3 GLY 1 152.339 -2.899 17.145 4 1HA GLY 1 HA1 GLY 1 152.965 -3.477 15.080 5 2HA GLY 1 HA2 GLY 1 154.420 -4.269 15.666 6 H GLU 2 HN GLU 2 151.068 -4.646 14.863 7 HA GLU 2 HA GLU 2 151.275 -7.334 14.193 8 1HB GLU 2 HB2 GLU 2 151.078 -6.950 17.002 9 2HB GLU 2 HB1 GLU 2 149.549 -7.622 16.453 10 1HG GLU 2 HG2 GLU 2 151.563 -9.088 15.160 11 2HG GLU 2 HG1 GLU 2 152.065 -8.920 16.842 12 H TRP 3 HN TRP 3 149.643 -7.747 12.850 13 HA TRP 3 HA TRP 3 146.956 -7.347 13.238 14 1HB TRP 3 HB2 TRP 3 148.145 -4.859 12.970 15 2HB TRP 3 HB1 TRP 3 147.511 -5.182 11.360 16 HD1 TRP 3 HD1 TRP 3 145.374 -3.751 11.255 17 HE1 TRP 3 HE1 TRP 3 143.244 -3.541 12.686 18 HE3 TRP 3 HE3 TRP 3 146.741 -6.719 15.187 19 HZ2 TRP 3 HZ2 TRP 3 142.273 -4.506 15.154 20 HZ3 TRP 3 HZ3 TRP 3 145.154 -7.023 17.043 21 HH2 TRP 3 HH2 TRP 3 142.967 -5.938 17.026 22 H GLU 4 HN GLU 4 146.278 -6.356 10.580 23 HA GLU 4 HA GLU 4 147.521 -7.406 8.423 24 1HB GLU 4 HB2 GLU 4 146.489 -9.545 10.135 25 2HB GLU 4 HB1 GLU 4 145.930 -9.655 8.472 26 1HG GLU 4 HG2 GLU 4 147.908 -10.358 7.753 27 2HG GLU 4 HG1 GLU 4 148.766 -9.091 8.629 28 H ILE 5 HN ILE 5 145.649 -8.591 6.875 29 HA ILE 5 HA ILE 5 144.068 -6.653 5.895 30 HB ILE 5 HB ILE 5 144.239 -8.822 4.815 31 1HG1 ILE 5 HG12 ILE 5 141.815 -9.130 4.205 32 2HG1 ILE 5 HG11 ILE 5 141.411 -7.978 5.473 33 1HG2 ILE 5 HG21 ILE 5 142.412 -10.514 5.849 34 2HG2 ILE 5 HG22 ILE 5 142.994 -9.736 7.321 35 3HG2 ILE 5 HG23 ILE 5 144.129 -10.556 6.248 36 1HD1 ILE 5 HD11 ILE 5 141.695 -6.331 4.034 37 2HD1 ILE 5 HD12 ILE 5 142.174 -7.481 2.786 38 3HD1 ILE 5 HD13 ILE 5 143.390 -6.784 3.856 39 H ILE 6 HN ILE 6 141.877 -6.007 6.084 40 HA ILE 6 HA ILE 6 140.609 -6.657 8.662 41 HB ILE 6 HB ILE 6 140.731 -3.922 7.386 42 1HG1 ILE 6 HG12 ILE 6 142.070 -5.102 9.822 43 2HG1 ILE 6 HG11 ILE 6 142.842 -4.394 8.407 44 1HG2 ILE 6 HG21 ILE 6 139.715 -4.285 10.132 45 2HG2 ILE 6 HG22 ILE 6 138.671 -4.852 8.829 46 3HG2 ILE 6 HG23 ILE 6 139.200 -3.170 8.867 47 1HD1 ILE 6 HD11 ILE 6 143.065 -2.685 9.890 48 2HD1 ILE 6 HD12 ILE 6 141.567 -3.074 10.737 49 3HD1 ILE 6 HD13 ILE 6 141.510 -2.258 9.174 50 H GLU 7 HN GLU 7 139.841 -4.776 5.726 51 HA GLU 7 HA GLU 7 137.325 -6.299 5.536 52 1HB GLU 7 HB2 GLU 7 137.807 -3.413 4.774 53 2HB GLU 7 HB1 GLU 7 136.296 -4.286 4.558 54 1HG GLU 7 HG2 GLU 7 136.669 -4.676 7.184 55 2HG GLU 7 HG1 GLU 7 137.488 -3.127 6.989 56 H ILE 8 HN ILE 8 136.416 -5.548 3.116 57 HA ILE 8 HA ILE 8 138.580 -6.090 1.206 58 HB ILE 8 HB ILE 8 135.918 -7.506 1.108 59 1HG1 ILE 8 HG12 ILE 8 138.613 -8.551 2.008 60 2HG1 ILE 8 HG11 ILE 8 137.213 -8.283 3.042 61 1HG2 ILE 8 HG21 ILE 8 136.562 -7.696 -1.036 62 2HG2 ILE 8 HG22 ILE 8 137.639 -8.945 -0.411 63 3HG2 ILE 8 HG23 ILE 8 138.244 -7.309 -0.673 64 1HD1 ILE 8 HD11 ILE 8 136.856 -10.464 2.705 65 2HD1 ILE 8 HD12 ILE 8 137.830 -10.501 1.234 66 3HD1 ILE 8 HD13 ILE 8 136.162 -9.931 1.174 67 H GLY 9 HN GLY 9 136.623 -3.833 2.046 68 1HA GLY 9 HA2 GLY 9 135.506 -3.316 -0.636 69 2HA GLY 9 HA1 GLY 9 134.885 -2.625 0.856 70 HA PRO 10 HA PRO 10 137.231 1.000 -0.042 71 1HB PRO 10 HB2 PRO 10 137.489 2.029 2.461 72 2HB PRO 10 HB1 PRO 10 135.975 2.076 1.552 73 1HG PRO 10 HG2 PRO 10 136.835 0.179 3.702 74 2HG PRO 10 HG1 PRO 10 135.262 0.965 3.466 75 1HD PRO 10 HD2 PRO 10 135.726 -1.601 2.744 76 2HD PRO 10 HD1 PRO 10 134.607 -0.549 1.854 77 H PHE 11 HN PHE 11 138.343 -0.853 2.789 78 HA PHE 11 HA PHE 11 140.829 0.035 3.236 79 1HB PHE 11 HB2 PHE 11 139.880 -1.915 4.381 80 2HB PHE 11 HB1 PHE 11 140.089 -2.884 2.927 81 HD1 PHE 11 HD1 PHE 11 142.584 -2.865 1.992 82 HD2 PHE 11 HD2 PHE 11 141.460 -2.108 6.026 83 HE1 PHE 11 HE1 PHE 11 144.843 -3.493 2.735 84 HE2 PHE 11 HE2 PHE 11 143.718 -2.734 6.776 85 HZ PHE 11 HZ PHE 11 145.413 -3.428 5.129 86 H THR 12 HN THR 12 139.844 -1.851 0.432 87 HA THR 12 HA THR 12 142.537 -2.004 -0.607 88 HB THR 12 HB THR 12 140.794 -2.708 -2.651 89 HG1 THR 12 HG1 THR 12 139.407 -4.199 -1.384 90 1HG2 THR 12 HG21 THR 12 141.390 -4.898 -0.820 91 2HG2 THR 12 HG22 THR 12 142.794 -3.936 -1.282 92 3HG2 THR 12 HG23 THR 12 141.796 -4.693 -2.523 93 H GLN 13 HN GLN 13 139.486 -0.620 -1.835 94 HA GLN 13 HA GLN 13 140.474 0.806 -3.959 95 1HB GLN 13 HB2 GLN 13 138.467 1.958 -3.995 96 2HB GLN 13 HB1 GLN 13 138.038 0.533 -3.059 97 1HG GLN 13 HG2 GLN 13 138.545 1.935 -0.997 98 2HG GLN 13 HG1 GLN 13 138.543 3.322 -2.085 99 1HE2 GLN 13 HE21 GLN 13 136.482 2.031 -3.779 100 2HE2 GLN 13 HE22 GLN 13 134.995 2.245 -2.927 101 H ASN 14 HN ASN 14 140.581 1.605 -0.551 102 HA ASN 14 HA ASN 14 141.212 4.261 -0.549 103 1HB ASN 14 HB2 ASN 14 141.382 2.152 1.288 104 2HB ASN 14 HB1 ASN 14 143.002 2.839 1.234 105 1HD2 ASN 14 HD21 ASN 14 142.868 3.680 3.292 106 2HD2 ASN 14 HD22 ASN 14 141.875 5.038 3.682 107 H LEU 15 HN LEU 15 143.727 1.722 -0.483 108 HA LEU 15 HA LEU 15 145.890 3.320 -1.052 109 1HB LEU 15 HB2 LEU 15 145.729 0.752 -0.601 110 2HB LEU 15 HB1 LEU 15 145.665 0.629 -2.349 111 HG LEU 15 HG LEU 15 147.910 0.401 -2.073 112 1HD1 LEU 15 HD11 LEU 15 147.527 3.387 -2.023 113 2HD1 LEU 15 HD12 LEU 15 147.724 2.352 -3.437 114 3HD1 LEU 15 HD13 LEU 15 149.072 2.592 -2.325 115 1HD2 LEU 15 HD21 LEU 15 149.094 1.825 -0.216 116 2HD2 LEU 15 HD22 LEU 15 148.239 0.339 0.196 117 3HD2 LEU 15 HD23 LEU 15 147.468 1.902 0.462 118 H GLY 16 HN GLY 16 143.391 2.147 -3.176 119 1HA GLY 16 HA2 GLY 16 144.605 2.656 -5.659 120 2HA GLY 16 HA1 GLY 16 142.872 2.648 -5.356 121 H LYS 17 HN LYS 17 142.705 4.760 -3.523 122 HA LYS 17 HA LYS 17 142.562 6.975 -5.243 123 1HB LYS 17 HB2 LYS 17 141.595 6.398 -2.757 124 2HB LYS 17 HB1 LYS 17 142.840 7.578 -2.371 125 1HG LYS 17 HG2 LYS 17 141.817 9.170 -3.914 126 2HG LYS 17 HG1 LYS 17 140.569 7.985 -4.307 127 1HD LYS 17 HD2 LYS 17 140.084 7.952 -1.787 128 2HD LYS 17 HD1 LYS 17 141.037 9.436 -1.720 129 1HE LYS 17 HE2 LYS 17 139.517 10.614 -3.039 130 2HE LYS 17 HE1 LYS 17 138.779 9.141 -3.668 131 1HZ LYS 17 HZ1 LYS 17 137.447 8.939 -1.880 132 2HZ LYS 17 HZ2 LYS 17 137.693 10.607 -1.745 133 3HZ LYS 17 HZ3 LYS 17 138.598 9.540 -0.794 134 H PHE 18 HN PHE 18 144.716 6.561 -2.430 135 HA PHE 18 HA PHE 18 146.440 8.673 -3.200 136 1HB PHE 18 HB2 PHE 18 147.054 6.375 -1.334 137 2HB PHE 18 HB1 PHE 18 147.881 7.929 -1.397 138 HD1 PHE 18 HD1 PHE 18 146.025 9.966 -1.289 139 HD2 PHE 18 HD2 PHE 18 145.711 6.114 0.492 140 HE1 PHE 18 HE1 PHE 18 144.456 10.869 0.378 141 HE2 PHE 18 HE2 PHE 18 144.141 7.009 2.161 142 HZ PHE 18 HZ PHE 18 143.512 9.390 2.105 143 H ALA 19 HN ALA 19 146.085 5.516 -4.320 144 HA ALA 19 HA ALA 19 148.693 4.746 -4.942 145 1HB ALA 19 HB1 ALA 19 146.020 3.929 -5.672 146 2HB ALA 19 HB2 ALA 19 147.495 2.969 -5.547 147 3HB ALA 19 HB3 ALA 19 147.120 3.820 -7.046 148 H VAL 20 HN VAL 20 146.317 6.403 -7.021 149 HA VAL 20 HA VAL 20 148.234 6.947 -9.069 150 HB VAL 20 HB VAL 20 145.815 6.742 -9.542 151 1HG1 VAL 20 HG11 VAL 20 144.962 7.853 -7.543 152 2HG1 VAL 20 HG12 VAL 20 144.308 8.589 -9.006 153 3HG1 VAL 20 HG13 VAL 20 145.603 9.392 -8.118 154 1HG2 VAL 20 HG21 VAL 20 145.921 8.144 -11.322 155 2HG2 VAL 20 HG22 VAL 20 147.596 8.294 -10.792 156 3HG2 VAL 20 HG23 VAL 20 146.415 9.526 -10.345 157 H ASP 21 HN ASP 21 147.096 8.604 -6.226 158 HA ASP 21 HA ASP 21 148.211 11.155 -6.972 159 1HB ASP 21 HB2 ASP 21 146.405 10.207 -5.002 160 2HB ASP 21 HB1 ASP 21 147.753 10.956 -4.150 161 H GLU 22 HN GLU 22 149.406 8.272 -5.621 162 HA GLU 22 HA GLU 22 151.777 9.674 -4.575 163 1HB GLU 22 HB2 GLU 22 150.598 6.993 -3.846 164 2HB GLU 22 HB1 GLU 22 152.197 7.510 -3.332 165 1HG GLU 22 HG2 GLU 22 150.075 7.831 -1.809 166 2HG GLU 22 HG1 GLU 22 151.390 9.005 -1.830 167 H GLU 23 HN GLU 23 150.605 7.294 -6.810 168 HA GLU 23 HA GLU 23 152.658 5.706 -7.469 169 1HB GLU 23 HB2 GLU 23 150.372 6.491 -8.754 170 2HB GLU 23 HB1 GLU 23 151.615 7.081 -9.848 171 1HG GLU 23 HG2 GLU 23 152.086 4.357 -8.927 172 2HG GLU 23 HG1 GLU 23 150.575 4.551 -9.814 173 H ASN 24 HN ASN 24 152.571 9.165 -7.923 174 HA ASN 24 HA ASN 24 154.819 9.362 -9.643 175 1HB ASN 24 HB2 ASN 24 153.284 11.278 -7.932 176 2HB ASN 24 HB1 ASN 24 154.834 11.779 -8.600 177 1HD2 ASN 24 HD21 ASN 24 152.367 9.686 -10.011 178 2HD2 ASN 24 HD22 ASN 24 152.046 10.690 -11.380 179 H LYS 25 HN LYS 25 154.430 9.573 -6.127 180 HA LYS 25 HA LYS 25 156.903 10.394 -5.324 181 1HB LYS 25 HB2 LYS 25 154.831 8.636 -4.174 182 2HB LYS 25 HB1 LYS 25 156.437 8.454 -3.480 183 1HG LYS 25 HG2 LYS 25 156.269 11.114 -3.430 184 2HG LYS 25 HG1 LYS 25 154.550 10.724 -3.335 185 1HD LYS 25 HD2 LYS 25 154.732 10.063 -1.211 186 2HD LYS 25 HD1 LYS 25 156.132 9.053 -1.574 187 1HE LYS 25 HE2 LYS 25 157.320 11.426 -1.703 188 2HE LYS 25 HE1 LYS 25 156.003 11.859 -0.614 189 1HZ LYS 25 HZ1 LYS 25 158.282 10.887 0.256 190 2HZ LYS 25 HZ2 LYS 25 157.487 9.418 -0.014 191 3HZ LYS 25 HZ3 LYS 25 156.816 10.561 1.036 192 H ILE 26 HN ILE 26 156.423 6.984 -4.713 193 HA ILE 26 HA ILE 26 158.953 6.111 -4.849 194 HB ILE 26 HB ILE 26 156.950 4.686 -4.383 195 1HG1 ILE 26 HG12 ILE 26 158.069 2.693 -4.865 196 2HG1 ILE 26 HG11 ILE 26 158.673 3.290 -6.407 197 1HG2 ILE 26 HG21 ILE 26 156.826 4.541 -7.391 198 2HG2 ILE 26 HG22 ILE 26 155.606 5.220 -6.313 199 3HG2 ILE 26 HG23 ILE 26 155.936 3.487 -6.292 200 1HD1 ILE 26 HD11 ILE 26 160.434 4.379 -5.450 201 2HD1 ILE 26 HD12 ILE 26 160.252 3.023 -4.337 202 3HD1 ILE 26 HD13 ILE 26 159.602 4.607 -3.912 203 H GLY 27 HN GLY 27 156.860 6.621 -7.663 204 1HA GLY 27 HA2 GLY 27 159.084 5.950 -9.448 205 2HA GLY 27 HA1 GLY 27 157.409 6.178 -9.926 206 H GLN 28 HN GLN 28 157.979 7.596 -11.594 207 HA GLN 28 HA GLN 28 158.755 10.276 -10.659 208 1HB GLN 28 HB2 GLN 28 159.782 8.733 -13.023 209 2HB GLN 28 HB1 GLN 28 159.791 10.491 -13.030 210 1HG GLN 28 HG2 GLN 28 161.209 10.542 -11.089 211 2HG GLN 28 HG1 GLN 28 161.110 8.789 -10.929 212 1HE2 GLN 28 HE21 GLN 28 162.441 11.434 -12.753 213 2HE2 GLN 28 HE22 GLN 28 163.636 10.516 -13.597 214 H TYR 29 HN TYR 29 157.061 8.349 -13.083 215 HA TYR 29 HA TYR 29 155.263 10.635 -13.525 216 1HB TYR 29 HB2 TYR 29 157.003 9.553 -15.435 217 2HB TYR 29 HB1 TYR 29 155.417 8.906 -15.843 218 HD1 TYR 29 HD1 TYR 29 153.577 10.423 -16.452 219 HD2 TYR 29 HD2 TYR 29 157.500 11.887 -15.698 220 HE1 TYR 29 HE1 TYR 29 152.988 12.547 -17.543 221 HE2 TYR 29 HE2 TYR 29 156.921 14.015 -16.787 222 HH TYR 29 HH TYR 29 153.663 14.788 -17.697 223 H GLY 30 HN GLY 30 153.506 9.981 -12.413 224 1HA GLY 30 HA2 GLY 30 152.655 7.323 -12.090 225 2HA GLY 30 HA1 GLY 30 151.658 8.747 -11.838 226 H ARG 31 HN ARG 31 150.168 6.897 -12.705 227 HA ARG 31 HA ARG 31 149.523 7.628 -15.416 228 1HB ARG 31 HB2 ARG 31 151.014 5.227 -14.895 229 2HB ARG 31 HB1 ARG 31 149.421 4.807 -15.511 230 1HG ARG 31 HG2 ARG 31 151.012 6.907 -16.902 231 2HG ARG 31 HG1 ARG 31 151.415 5.206 -17.143 232 1HD ARG 31 HD2 ARG 31 148.852 4.957 -17.568 233 2HD ARG 31 HD1 ARG 31 148.929 6.692 -17.876 234 HE ARG 31 HE ARG 31 150.950 5.473 -19.359 235 1HH1 ARG 31 HH11 ARG 31 147.472 5.535 -19.216 236 2HH1 ARG 31 HH12 ARG 31 147.267 5.216 -20.906 237 1HH2 ARG 31 HH21 ARG 31 150.693 5.053 -21.586 238 2HH2 ARG 31 HH22 ARG 31 149.099 4.941 -22.254 239 H LEU 32 HN LEU 32 147.737 5.602 -16.016 240 HA LEU 32 HA LEU 32 145.628 6.181 -14.097 241 1HB LEU 32 HB2 LEU 32 145.676 6.021 -16.837 242 2HB LEU 32 HB1 LEU 32 144.966 4.481 -16.390 243 HG LEU 32 HG LEU 32 143.834 6.886 -15.080 244 1HD1 LEU 32 HD11 LEU 32 142.319 6.842 -17.307 245 2HD1 LEU 32 HD12 LEU 32 143.907 6.505 -17.997 246 3HD1 LEU 32 HD13 LEU 32 143.652 7.967 -17.045 247 1HD2 LEU 32 HD21 LEU 32 142.209 4.817 -16.431 248 2HD2 LEU 32 HD22 LEU 32 141.991 5.587 -14.859 249 3HD2 LEU 32 HD23 LEU 32 143.177 4.296 -15.052 250 H THR 33 HN THR 33 144.733 4.743 -12.739 251 HA THR 33 HA THR 33 145.039 1.898 -13.124 252 HB THR 33 HB THR 33 147.173 2.628 -12.019 253 HG1 THR 33 HG1 THR 33 147.155 0.921 -10.634 254 1HG2 THR 33 HG21 THR 33 147.285 3.740 -10.096 255 2HG2 THR 33 HG22 THR 33 145.947 2.837 -9.385 256 3HG2 THR 33 HG23 THR 33 145.621 4.214 -10.438 257 H PHE 34 HN PHE 34 142.698 2.410 -13.249 258 HA PHE 34 HA PHE 34 141.513 2.259 -10.567 259 1HB PHE 34 HB2 PHE 34 141.228 4.437 -12.379 260 2HB PHE 34 HB1 PHE 34 139.680 3.603 -12.291 261 HD1 PHE 34 HD1 PHE 34 142.058 3.702 -9.497 262 HD2 PHE 34 HD2 PHE 34 138.524 5.372 -11.178 263 HE1 PHE 34 HE1 PHE 34 141.578 4.826 -7.361 264 HE2 PHE 34 HE2 PHE 34 138.037 6.500 -9.046 265 HZ PHE 34 HZ PHE 34 139.566 6.227 -7.134 266 H ASN 35 HN ASN 35 141.998 0.673 -13.331 267 HA ASN 35 HA ASN 35 139.500 -0.205 -14.208 268 1HB ASN 35 HB2 ASN 35 141.749 -0.637 -15.293 269 2HB ASN 35 HB1 ASN 35 141.987 -1.916 -14.106 270 1HD2 ASN 35 HD21 ASN 35 139.202 -0.868 -16.037 271 2HD2 ASN 35 HD22 ASN 35 138.898 -2.413 -16.748 272 H LYS 36 HN LYS 36 141.718 -1.975 -12.045 273 HA LYS 36 HA LYS 36 139.452 -2.834 -10.430 274 1HB LYS 36 HB2 LYS 36 140.935 -4.577 -12.275 275 2HB LYS 36 HB1 LYS 36 140.809 -5.204 -10.638 276 1HG LYS 36 HG2 LYS 36 138.295 -4.659 -10.873 277 2HG LYS 36 HG1 LYS 36 138.638 -4.611 -12.604 278 1HD LYS 36 HD2 LYS 36 139.764 -6.905 -12.202 279 2HD LYS 36 HD1 LYS 36 138.840 -6.915 -10.698 280 1HE LYS 36 HE2 LYS 36 136.992 -6.161 -12.616 281 2HE LYS 36 HE1 LYS 36 137.965 -7.388 -13.426 282 1HZ LYS 36 HZ1 LYS 36 137.495 -8.416 -10.937 283 2HZ LYS 36 HZ2 LYS 36 136.710 -8.863 -12.367 284 3HZ LYS 36 HZ3 LYS 36 136.024 -7.693 -11.357 285 H VAL 37 HN VAL 37 140.653 -1.297 -9.052 286 HA VAL 37 HA VAL 37 143.195 -2.245 -8.002 287 HB VAL 37 HB VAL 37 141.646 0.142 -7.017 288 1HG1 VAL 37 HG11 VAL 37 144.479 0.464 -7.077 289 2HG1 VAL 37 HG12 VAL 37 144.092 -1.061 -6.280 290 3HG1 VAL 37 HG13 VAL 37 143.395 0.446 -5.687 291 1HG2 VAL 37 HG21 VAL 37 143.614 1.084 -8.729 292 2HG2 VAL 37 HG22 VAL 37 141.876 1.070 -9.029 293 3HG2 VAL 37 HG23 VAL 37 142.881 -0.259 -9.605 294 H ILE 38 HN ILE 38 143.058 -3.877 -6.585 295 HA ILE 38 HA ILE 38 141.892 -3.502 -4.047 296 HB ILE 38 HB ILE 38 140.411 -5.738 -4.530 297 1HG1 ILE 38 HG12 ILE 38 139.749 -3.942 -6.847 298 2HG1 ILE 38 HG11 ILE 38 140.924 -5.241 -7.029 299 1HG2 ILE 38 HG21 ILE 38 139.326 -4.214 -3.257 300 2HG2 ILE 38 HG22 ILE 38 138.507 -3.883 -4.783 301 3HG2 ILE 38 HG23 ILE 38 139.836 -2.852 -4.254 302 1HD1 ILE 38 HD11 ILE 38 138.267 -5.881 -5.867 303 2HD1 ILE 38 HD12 ILE 38 139.346 -6.877 -6.843 304 3HD1 ILE 38 HD13 ILE 38 138.396 -5.600 -7.603 305 H LYS 39 HN LYS 39 141.695 -6.664 -5.530 306 HA LYS 39 HA LYS 39 142.823 -8.597 -5.143 307 1HB LYS 39 HB2 LYS 39 144.898 -6.543 -5.558 308 2HB LYS 39 HB1 LYS 39 145.450 -8.018 -4.777 309 1HG LYS 39 HG2 LYS 39 145.596 -7.869 -7.326 310 2HG LYS 39 HG1 LYS 39 144.922 -9.338 -6.617 311 1HD LYS 39 HD2 LYS 39 142.656 -8.469 -7.005 312 2HD LYS 39 HD1 LYS 39 143.347 -7.022 -7.742 313 1HE LYS 39 HE2 LYS 39 142.906 -8.282 -9.607 314 2HE LYS 39 HE1 LYS 39 144.570 -8.761 -9.273 315 1HZ LYS 39 HZ1 LYS 39 143.546 -10.654 -7.961 316 2HZ LYS 39 HZ2 LYS 39 143.423 -10.744 -9.645 317 3HZ LYS 39 HZ3 LYS 39 142.086 -10.269 -8.725 318 HA PRO 40 HA PRO 40 143.282 -9.604 -0.903 319 1HB PRO 40 HB2 PRO 40 145.967 -10.753 -1.489 320 2HB PRO 40 HB1 PRO 40 144.570 -11.498 -0.704 321 1HG PRO 40 HG2 PRO 40 145.210 -12.123 -3.212 322 2HG PRO 40 HG1 PRO 40 143.515 -11.956 -2.719 323 1HD PRO 40 HD2 PRO 40 145.228 -10.081 -4.288 324 2HD PRO 40 HD1 PRO 40 143.499 -10.443 -4.460 325 H CYS 41 HN CYS 41 143.545 -7.339 -0.336 326 HA CYS 41 HA CYS 41 146.170 -6.214 -0.078 327 1HB CYS 41 HB2 CYS 41 145.005 -4.367 1.084 328 2HB CYS 41 HB1 CYS 41 144.265 -4.759 -0.463 329 HG CYS 41 HG CYS 41 142.307 -4.529 1.134 330 H MET 42 HN MET 42 146.219 -5.005 2.361 331 HA MET 42 HA MET 42 145.618 -6.516 4.607 332 1HB MET 42 HB2 MET 42 147.357 -7.990 3.209 333 2HB MET 42 HB1 MET 42 148.507 -6.983 4.079 334 1HG MET 42 HG2 MET 42 147.276 -7.659 6.190 335 2HG MET 42 HG1 MET 42 146.474 -8.879 5.202 336 1HE MET 42 HE1 MET 42 148.972 -11.585 4.648 337 2HE MET 42 HE2 MET 42 147.769 -10.636 3.775 338 3HE MET 42 HE3 MET 42 147.383 -11.304 5.361 339 H LYS 43 HN LYS 43 146.651 -5.736 6.548 340 HA LYS 43 HA LYS 43 148.418 -3.436 6.279 341 1HB LYS 43 HB2 LYS 43 146.405 -2.239 6.185 342 2HB LYS 43 HB1 LYS 43 145.608 -3.307 7.332 343 1HG LYS 43 HG2 LYS 43 147.927 -1.922 8.438 344 2HG LYS 43 HG1 LYS 43 146.634 -0.846 7.905 345 1HD LYS 43 HD2 LYS 43 145.283 -2.853 9.227 346 2HD LYS 43 HD1 LYS 43 146.746 -2.647 10.192 347 1HE LYS 43 HE2 LYS 43 145.554 -0.117 9.389 348 2HE LYS 43 HE1 LYS 43 144.461 -1.112 10.350 349 1HZ LYS 43 HZ1 LYS 43 145.867 0.391 11.686 350 2HZ LYS 43 HZ2 LYS 43 147.239 -0.438 11.148 351 3HZ LYS 43 HZ3 LYS 43 146.082 -1.239 12.085 352 H LYS 44 HN LYS 44 149.567 -2.939 8.176 353 HA LYS 44 HA LYS 44 149.089 -4.620 10.521 354 1HB LYS 44 HB2 LYS 44 151.499 -4.692 8.770 355 2HB LYS 44 HB1 LYS 44 151.736 -4.848 10.505 356 1HG LYS 44 HG2 LYS 44 150.571 -6.850 10.613 357 2HG LYS 44 HG1 LYS 44 149.743 -6.564 9.082 358 1HD LYS 44 HD2 LYS 44 151.459 -8.285 8.845 359 2HD LYS 44 HD1 LYS 44 151.853 -6.859 7.883 360 1HE LYS 44 HE2 LYS 44 153.545 -6.193 9.345 361 2HE LYS 44 HE1 LYS 44 152.929 -7.195 10.659 362 1HZ LYS 44 HZ1 LYS 44 155.007 -7.948 9.353 363 2HZ LYS 44 HZ2 LYS 44 153.897 -8.459 8.183 364 3HZ LYS 44 HZ3 LYS 44 153.825 -9.093 9.749 365 H THR 45 HN THR 45 148.902 -3.238 12.152 366 HA THR 45 HA THR 45 149.962 -0.615 12.091 367 HB THR 45 HB THR 45 148.925 -2.014 14.544 368 HG1 THR 45 HG1 THR 45 147.137 -2.262 13.499 369 1HG2 THR 45 HG21 THR 45 148.013 0.183 15.096 370 2HG2 THR 45 HG22 THR 45 148.756 0.851 13.642 371 3HG2 THR 45 HG23 THR 45 149.769 0.219 14.940 372 H ILE 46 HN ILE 46 151.328 0.286 13.871 373 HA ILE 46 HA ILE 46 153.224 -1.616 15.023 374 HB ILE 46 HB ILE 46 154.101 0.702 13.298 375 1HG1 ILE 46 HG12 ILE 46 155.286 -1.362 12.153 376 2HG1 ILE 46 HG11 ILE 46 153.962 -2.257 12.891 377 1HG2 ILE 46 HG21 ILE 46 155.409 0.005 15.464 378 2HG2 ILE 46 HG22 ILE 46 156.267 0.363 13.966 379 3HG2 ILE 46 HG23 ILE 46 155.975 -1.311 14.437 380 1HD1 ILE 46 HD11 ILE 46 153.866 -0.153 10.775 381 2HD1 ILE 46 HD12 ILE 46 152.449 -0.507 11.764 382 3HD1 ILE 46 HD13 ILE 46 153.173 -1.774 10.775 383 H TYR 47 HN TYR 47 152.374 -1.023 17.048 384 HA TYR 47 HA TYR 47 152.755 1.771 17.856 385 1HB TYR 47 HB2 TYR 47 151.348 1.251 19.774 386 2HB TYR 47 HB1 TYR 47 150.541 0.761 18.289 387 HD1 TYR 47 HD1 TYR 47 152.453 -0.509 21.198 388 HD2 TYR 47 HD2 TYR 47 149.888 -1.483 17.947 389 HE1 TYR 47 HE1 TYR 47 152.162 -2.772 22.114 390 HE2 TYR 47 HE2 TYR 47 149.590 -3.749 18.854 391 HH TYR 47 HH TYR 47 149.759 -4.884 21.067 392 H GLU 48 HN GLU 48 154.039 2.358 19.569 393 HA GLU 48 HA GLU 48 156.270 0.673 20.111 394 1HB GLU 48 HB2 GLU 48 156.736 2.982 20.004 395 2HB GLU 48 HB1 GLU 48 155.426 3.376 21.109 396 1HG GLU 48 HG2 GLU 48 156.776 3.239 22.852 397 2HG GLU 48 HG1 GLU 48 157.287 1.616 22.391 398 H ASN 49 HN ASN 49 154.780 2.409 22.720 399 HA ASN 49 HA ASN 49 153.865 -0.014 24.026 400 1HB ASN 49 HB2 ASN 49 156.410 1.229 24.653 401 2HB ASN 49 HB1 ASN 49 155.343 1.219 26.054 402 1HD2 ASN 49 HD21 ASN 49 155.249 -1.167 23.506 403 2HD2 ASN 49 HD22 ASN 49 155.825 -2.489 24.457 404 H GLU 50 HN GLU 50 154.476 3.464 24.346 405 HA GLU 50 HA GLU 50 151.870 3.706 25.698 406 1HB GLU 50 HB2 GLU 50 154.025 4.134 27.086 407 2HB GLU 50 HB1 GLU 50 154.119 5.638 26.180 408 1HG GLU 50 HG2 GLU 50 151.886 6.249 26.987 409 2HG GLU 50 HG1 GLU 50 151.827 4.755 27.921 410 H ARG 51 HN ARG 51 152.576 3.890 22.852 411 HA ARG 51 HA ARG 51 151.646 5.123 21.138 412 1HB ARG 51 HB2 ARG 51 150.392 6.275 23.234 413 2HB ARG 51 HB1 ARG 51 151.381 7.626 22.698 414 1HG ARG 51 HG2 ARG 51 150.433 7.362 20.427 415 2HG ARG 51 HG1 ARG 51 149.372 6.100 21.056 416 1HD ARG 51 HD2 ARG 51 147.963 7.592 21.936 417 2HD ARG 51 HD1 ARG 51 149.277 8.522 22.654 418 HE ARG 51 HE ARG 51 149.328 9.089 19.956 419 1HH1 ARG 51 HH11 ARG 51 147.062 9.415 22.580 420 2HH1 ARG 51 HH12 ARG 51 146.292 10.816 21.912 421 1HH2 ARG 51 HH21 ARG 51 148.322 10.933 19.068 422 2HH2 ARG 51 HH22 ARG 51 147.008 11.679 19.915 423 H GLU 52 HN GLU 52 154.370 4.850 21.609 424 HA GLU 52 HA GLU 52 155.585 7.464 21.239 425 1HB GLU 52 HB2 GLU 52 156.454 5.084 22.377 426 2HB GLU 52 HB1 GLU 52 157.350 5.181 20.868 427 1HG GLU 52 HG2 GLU 52 157.699 7.685 21.747 428 2HG GLU 52 HG1 GLU 52 157.522 6.852 23.290 429 H ILE 53 HN ILE 53 154.173 5.153 19.291 430 HA ILE 53 HA ILE 53 155.319 6.371 16.925 431 HB ILE 53 HB ILE 53 156.828 4.637 16.932 432 1HG1 ILE 53 HG12 ILE 53 154.437 3.741 15.333 433 2HG1 ILE 53 HG11 ILE 53 155.892 4.553 14.770 434 1HG2 ILE 53 HG21 ILE 53 155.346 3.477 18.826 435 2HG2 ILE 53 HG22 ILE 53 156.677 2.673 17.998 436 3HG2 ILE 53 HG23 ILE 53 155.017 2.389 17.479 437 1HD1 ILE 53 HD11 ILE 53 155.858 1.770 15.899 438 2HD1 ILE 53 HD12 ILE 53 157.186 2.582 15.070 439 3HD1 ILE 53 HD13 ILE 53 155.728 2.143 14.180 440 H LYS 54 HN LYS 54 153.458 3.419 17.342 441 HA LYS 54 HA LYS 54 151.373 2.802 16.685 442 1HB LYS 54 HB2 LYS 54 151.106 5.462 17.677 443 2HB LYS 54 HB1 LYS 54 150.077 5.301 16.261 444 1HG LYS 54 HG2 LYS 54 148.680 3.832 17.267 445 2HG LYS 54 HG1 LYS 54 149.960 3.115 18.247 446 1HD LYS 54 HD2 LYS 54 149.153 4.285 19.965 447 2HD LYS 54 HD1 LYS 54 149.773 5.730 19.163 448 1HE LYS 54 HE2 LYS 54 147.570 5.774 17.890 449 2HE LYS 54 HE1 LYS 54 146.998 4.578 19.053 450 1HZ LYS 54 HZ1 LYS 54 146.382 6.802 19.729 451 2HZ LYS 54 HZ2 LYS 54 147.999 7.297 19.706 452 3HZ LYS 54 HZ3 LYS 54 147.483 6.148 20.835 453 H GLY 55 HN GLY 55 153.065 2.643 14.685 454 1HA GLY 55 HA2 GLY 55 152.169 4.241 12.430 455 2HA GLY 55 HA1 GLY 55 153.452 3.039 12.410 456 H TYR 56 HN TYR 56 151.991 2.860 10.301 457 HA TYR 56 HA TYR 56 150.575 0.376 10.631 458 1HB TYR 56 HB2 TYR 56 148.458 1.091 9.738 459 2HB TYR 56 HB1 TYR 56 148.842 2.111 11.121 460 HD1 TYR 56 HD1 TYR 56 149.221 4.463 10.858 461 HD2 TYR 56 HD2 TYR 56 148.611 1.995 7.447 462 HE1 TYR 56 HE1 TYR 56 148.920 6.469 9.468 463 HE2 TYR 56 HE2 TYR 56 148.309 3.994 6.047 464 HH TYR 56 HH TYR 56 148.610 7.258 7.414 465 H GLU 57 HN GLU 57 151.161 -0.869 8.999 466 HA GLU 57 HA GLU 57 152.169 0.373 6.549 467 1HB GLU 57 HB2 GLU 57 152.341 -2.517 6.596 468 2HB GLU 57 HB1 GLU 57 153.626 -1.326 6.455 469 1HG GLU 57 HG2 GLU 57 153.228 -1.070 9.038 470 2HG GLU 57 HG1 GLU 57 152.559 -2.692 8.868 471 H TYR 58 HN TYR 58 150.878 0.548 4.845 472 HA TYR 58 HA TYR 58 148.552 -1.248 4.666 473 1HB TYR 58 HB2 TYR 58 148.671 1.523 4.598 474 2HB TYR 58 HB1 TYR 58 148.497 1.074 2.905 475 HD1 TYR 58 HD1 TYR 58 146.318 1.310 2.210 476 HD2 TYR 58 HD2 TYR 58 147.059 -0.252 6.097 477 HE1 TYR 58 HE1 TYR 58 143.901 1.000 2.538 478 HE2 TYR 58 HE2 TYR 58 144.644 -0.568 6.436 479 HH TYR 58 HH TYR 58 142.295 0.692 4.200 480 H GLN 59 HN GLN 59 149.039 -2.915 3.384 481 HA GLN 59 HA GLN 59 150.507 -2.410 0.888 482 1HB GLN 59 HB2 GLN 59 150.276 -4.724 2.721 483 2HB GLN 59 HB1 GLN 59 150.328 -5.108 1.006 484 1HG GLN 59 HG2 GLN 59 152.426 -3.873 0.794 485 2HG GLN 59 HG1 GLN 59 152.374 -3.497 2.516 486 1HE2 GLN 59 HE21 GLN 59 154.360 -4.536 2.827 487 2HE2 GLN 59 HE22 GLN 59 154.490 -6.258 2.845 488 H LEU 60 HN LEU 60 149.211 -2.058 -0.808 489 HA LEU 60 HA LEU 60 146.745 -3.608 -0.990 490 1HB LEU 60 HB2 LEU 60 146.987 -0.862 -0.853 491 2HB LEU 60 HB1 LEU 60 146.771 -1.167 -2.566 492 HG LEU 60 HG LEU 60 144.626 -0.727 -1.576 493 1HD1 LEU 60 HD11 LEU 60 143.428 -2.551 -2.395 494 2HD1 LEU 60 HD12 LEU 60 144.689 -3.699 -1.947 495 3HD1 LEU 60 HD13 LEU 60 144.943 -2.592 -3.295 496 1HD2 LEU 60 HD21 LEU 60 144.053 -2.846 0.099 497 2HD2 LEU 60 HD22 LEU 60 144.378 -1.184 0.590 498 3HD2 LEU 60 HD23 LEU 60 145.684 -2.370 0.569 499 H TYR 61 HN TYR 61 146.079 -4.355 -3.018 500 HA TYR 61 HA TYR 61 148.210 -4.410 -5.052 501 1HB TYR 61 HB2 TYR 61 146.290 -6.492 -4.089 502 2HB TYR 61 HB1 TYR 61 146.828 -6.547 -5.764 503 HD1 TYR 61 HD1 TYR 61 148.978 -7.363 -6.325 504 HD2 TYR 61 HD2 TYR 61 147.992 -6.640 -2.251 505 HE1 TYR 61 HE1 TYR 61 151.030 -8.525 -5.628 506 HE2 TYR 61 HE2 TYR 61 150.041 -7.799 -1.542 507 HH TYR 61 HH TYR 61 151.749 -9.810 -3.392 508 H VAL 62 HN VAL 62 147.663 -2.886 -6.507 509 HA VAL 62 HA VAL 62 144.885 -2.469 -7.230 510 HB VAL 62 HB VAL 62 146.108 -0.458 -6.991 511 1HG1 VAL 62 HG11 VAL 62 148.094 -0.450 -8.953 512 2HG1 VAL 62 HG12 VAL 62 148.256 -2.002 -8.130 513 3HG1 VAL 62 HG13 VAL 62 148.320 -0.502 -7.205 514 1HG2 VAL 62 HG21 VAL 62 145.581 0.607 -8.961 515 2HG2 VAL 62 HG22 VAL 62 144.640 -0.876 -9.118 516 3HG2 VAL 62 HG23 VAL 62 146.180 -0.716 -9.962 517 H TYR 63 HN TYR 63 144.166 -4.128 -8.478 518 HA TYR 63 HA TYR 63 145.774 -5.106 -10.688 519 1HB TYR 63 HB2 TYR 63 144.363 -6.623 -9.266 520 2HB TYR 63 HB1 TYR 63 142.937 -5.859 -9.960 521 HD1 TYR 63 HD1 TYR 63 145.856 -7.990 -10.696 522 HD2 TYR 63 HD2 TYR 63 142.184 -6.414 -12.158 523 HE1 TYR 63 HE1 TYR 63 145.933 -9.571 -12.577 524 HE2 TYR 63 HE2 TYR 63 142.251 -7.992 -14.043 525 HH TYR 63 HH TYR 63 144.938 -9.617 -14.987 526 H ALA 64 HN ALA 64 145.856 -3.086 -11.848 527 HA ALA 64 HA ALA 64 143.477 -1.864 -12.848 528 1HB ALA 64 HB1 ALA 64 145.168 -0.704 -14.395 529 2HB ALA 64 HB2 ALA 64 146.397 -1.537 -13.443 530 3HB ALA 64 HB3 ALA 64 145.289 -0.410 -12.660 531 H SER 65 HN SER 65 143.518 -1.437 -15.383 532 HA SER 65 HA SER 65 142.875 -3.949 -16.574 533 1HB SER 65 HB2 SER 65 142.254 -1.254 -17.067 534 2HB SER 65 HB1 SER 65 143.114 -1.808 -18.503 535 HG SER 65 HG SER 65 140.626 -2.202 -18.014 536 H ASP 66 HN ASP 66 145.411 -1.529 -17.171 537 HA ASP 66 HA ASP 66 146.683 -2.803 -19.275 538 1HB ASP 66 HB2 ASP 66 147.174 -0.492 -18.580 539 2HB ASP 66 HB1 ASP 66 147.947 -1.102 -17.120 540 H LYS 67 HN LYS 67 146.496 -3.701 -16.019 541 HA LYS 67 HA LYS 67 147.456 -6.191 -16.126 542 1HB LYS 67 HB2 LYS 67 149.695 -4.287 -16.306 543 2HB LYS 67 HB1 LYS 67 149.904 -5.557 -15.109 544 1HG LYS 67 HG2 LYS 67 148.954 -6.852 -17.388 545 2HG LYS 67 HG1 LYS 67 150.138 -5.680 -17.970 546 1HD LYS 67 HD2 LYS 67 151.870 -6.635 -16.757 547 2HD LYS 67 HD1 LYS 67 150.772 -7.418 -15.618 548 1HE LYS 67 HE2 LYS 67 150.167 -8.428 -18.184 549 2HE LYS 67 HE1 LYS 67 151.922 -8.458 -18.019 550 1HZ LYS 67 HZ1 LYS 67 150.373 -9.432 -15.751 551 2HZ LYS 67 HZ2 LYS 67 151.834 -9.999 -16.387 552 3HZ LYS 67 HZ3 LYS 67 150.373 -10.401 -17.138 553 H LEU 68 HN LEU 68 148.871 -6.731 -13.928 554 HA LEU 68 HA LEU 68 147.167 -5.671 -11.805 555 1HB LEU 68 HB2 LEU 68 147.807 -7.567 -10.514 556 2HB LEU 68 HB1 LEU 68 147.419 -8.131 -12.128 557 HG LEU 68 HG LEU 68 150.175 -7.643 -12.176 558 1HD1 LEU 68 HD11 LEU 68 149.431 -9.183 -9.695 559 2HD1 LEU 68 HD12 LEU 68 150.092 -7.548 -9.707 560 3HD1 LEU 68 HD13 LEU 68 151.056 -8.893 -10.317 561 1HD2 LEU 68 HD21 LEU 68 148.351 -9.974 -12.245 562 2HD2 LEU 68 HD22 LEU 68 150.062 -10.300 -11.967 563 3HD2 LEU 68 HD23 LEU 68 149.554 -9.437 -13.418 564 H PHE 69 HN PHE 69 147.897 -4.476 -10.131 565 HA PHE 69 HA PHE 69 150.798 -4.026 -9.926 566 1HB PHE 69 HB2 PHE 69 148.586 -2.001 -10.077 567 2HB PHE 69 HB1 PHE 69 150.085 -1.621 -9.236 568 HD1 PHE 69 HD1 PHE 69 149.061 -3.178 -12.473 569 HD2 PHE 69 HD2 PHE 69 151.635 -0.460 -10.449 570 HE1 PHE 69 HE1 PHE 69 150.106 -2.577 -14.618 571 HE2 PHE 69 HE2 PHE 69 152.684 0.147 -12.590 572 HZ PHE 69 HZ PHE 69 151.919 -0.911 -14.678 573 H ARG 70 HN ARG 70 150.959 -2.427 -7.784 574 HA ARG 70 HA ARG 70 149.305 -2.897 -5.616 575 1HB ARG 70 HB2 ARG 70 149.814 -5.228 -5.729 576 2HB ARG 70 HB1 ARG 70 151.534 -4.907 -5.903 577 1HG ARG 70 HG2 ARG 70 151.074 -3.716 -3.536 578 2HG ARG 70 HG1 ARG 70 149.855 -4.990 -3.488 579 1HD ARG 70 HD2 ARG 70 151.588 -6.174 -2.634 580 2HD ARG 70 HD1 ARG 70 151.929 -6.433 -4.345 581 HE ARG 70 HE ARG 70 153.253 -4.115 -3.609 582 1HH1 ARG 70 HH11 ARG 70 153.306 -7.492 -2.763 583 2HH1 ARG 70 HH12 ARG 70 154.989 -7.496 -2.350 584 1HH2 ARG 70 HH21 ARG 70 155.470 -4.108 -3.068 585 2HH2 ARG 70 HH22 ARG 70 156.219 -5.572 -2.524 586 H ALA 71 HN ALA 71 149.851 -1.526 -4.030 587 HA ALA 71 HA ALA 71 152.573 -0.404 -4.098 588 1HB ALA 71 HB1 ALA 71 151.615 1.673 -3.219 589 2HB ALA 71 HB2 ALA 71 150.010 0.942 -3.251 590 3HB ALA 71 HB3 ALA 71 150.882 1.222 -4.758 591 H ASP 72 HN ASP 72 153.311 0.495 -1.956 592 HA ASP 72 HA ASP 72 152.211 -1.060 0.284 593 1HB ASP 72 HB2 ASP 72 154.540 -1.773 -0.902 594 2HB ASP 72 HB1 ASP 72 155.139 -0.631 0.297 595 H ILE 73 HN ILE 73 151.612 0.228 1.859 596 HA ILE 73 HA ILE 73 152.890 2.863 2.115 597 HB ILE 73 HB ILE 73 150.185 1.880 3.019 598 1HG1 ILE 73 HG12 ILE 73 150.868 4.221 1.242 599 2HG1 ILE 73 HG11 ILE 73 150.588 2.602 0.608 600 1HG2 ILE 73 HG21 ILE 73 151.689 4.367 3.748 601 2HG2 ILE 73 HG22 ILE 73 150.834 3.238 4.799 602 3HG2 ILE 73 HG23 ILE 73 149.926 4.326 3.751 603 1HD1 ILE 73 HD11 ILE 73 148.349 2.762 1.898 604 2HD1 ILE 73 HD12 ILE 73 148.533 3.604 0.360 605 3HD1 ILE 73 HD13 ILE 73 148.666 4.496 1.875 606 H SER 74 HN SER 74 153.873 3.454 3.981 607 HA SER 74 HA SER 74 153.601 1.767 6.344 608 1HB SER 74 HB2 SER 74 156.023 1.508 6.599 609 2HB SER 74 HB1 SER 74 155.493 0.807 5.070 610 HG SER 74 HG SER 74 156.099 3.387 4.695 611 H GLU 75 HN GLU 75 153.456 2.996 8.119 612 HA GLU 75 HA GLU 75 154.794 5.600 8.144 613 1HB GLU 75 HB2 GLU 75 152.005 5.307 9.213 614 2HB GLU 75 HB1 GLU 75 152.883 6.782 8.830 615 1HG GLU 75 HG2 GLU 75 152.691 5.296 6.443 616 2HG GLU 75 HG1 GLU 75 151.099 5.273 7.201 617 H ASP 76 HN ASP 76 156.313 4.393 9.533 618 HA ASP 76 HA ASP 76 155.175 3.966 12.193 619 1HB ASP 76 HB2 ASP 76 157.509 2.627 10.857 620 2HB ASP 76 HB1 ASP 76 157.197 2.486 12.582 621 H TYR 77 HN TYR 77 157.359 3.910 13.760 622 HA TYR 77 HA TYR 77 159.009 6.219 13.247 623 1HB TYR 77 HB2 TYR 77 156.592 6.519 14.671 624 2HB TYR 77 HB1 TYR 77 157.873 6.557 15.878 625 HD1 TYR 77 HD1 TYR 77 157.631 8.854 16.469 626 HD2 TYR 77 HD2 TYR 77 158.288 7.741 12.418 627 HE1 TYR 77 HE1 TYR 77 158.092 11.206 15.905 628 HE2 TYR 77 HE2 TYR 77 158.752 10.088 11.840 629 HH TYR 77 HH TYR 77 159.650 12.217 13.368 630 H LYS 78 HN LYS 78 160.494 6.610 15.096 631 HA LYS 78 HA LYS 78 161.748 5.912 16.966 632 1HB LYS 78 HB2 LYS 78 159.950 3.968 17.150 633 2HB LYS 78 HB1 LYS 78 161.230 3.026 16.397 634 1HG LYS 78 HG2 LYS 78 162.647 4.189 18.344 635 2HG LYS 78 HG1 LYS 78 161.060 4.167 19.114 636 1HD LYS 78 HD2 LYS 78 160.916 1.832 19.014 637 2HD LYS 78 HD1 LYS 78 162.196 1.718 17.804 638 1HE LYS 78 HE2 LYS 78 163.527 1.212 19.530 639 2HE LYS 78 HE1 LYS 78 163.481 2.938 19.883 640 1HZ LYS 78 HZ1 LYS 78 162.152 0.727 21.243 641 2HZ LYS 78 HZ2 LYS 78 161.295 2.181 21.139 642 3HZ LYS 78 HZ3 LYS 78 162.815 2.148 21.880 643 H THR 79 HN THR 79 161.540 4.489 13.881 644 HA THR 79 HA THR 79 164.101 5.040 13.021 645 HB THR 79 HB THR 79 164.526 2.294 12.964 646 HG1 THR 79 HG1 THR 79 164.040 2.884 15.659 647 1HG2 THR 79 HG21 THR 79 165.869 3.437 15.231 648 2HG2 THR 79 HG22 THR 79 165.906 4.538 13.854 649 3HG2 THR 79 HG23 THR 79 166.526 2.895 13.686 650 H ARG 80 HN ARG 80 161.482 5.189 12.164 651 HA ARG 80 HA ARG 80 161.434 3.364 9.893 652 1HB ARG 80 HB2 ARG 80 158.984 4.541 11.103 653 2HB ARG 80 HB1 ARG 80 159.122 3.141 10.050 654 1HG ARG 80 HG2 ARG 80 160.626 2.776 12.490 655 2HG ARG 80 HG1 ARG 80 158.932 3.136 12.820 656 1HD ARG 80 HD2 ARG 80 158.460 1.010 12.375 657 2HD ARG 80 HD1 ARG 80 158.917 1.311 10.699 658 HE ARG 80 HE ARG 80 160.426 -0.129 12.676 659 1HH1 ARG 80 HH11 ARG 80 160.591 1.692 9.713 660 2HH1 ARG 80 HH12 ARG 80 162.075 0.963 9.195 661 1HH2 ARG 80 HH21 ARG 80 162.380 -1.096 12.005 662 2HH2 ARG 80 HH22 ARG 80 163.092 -0.623 10.498 663 H GLY 81 HN GLY 81 159.362 4.364 8.562 664 1HA GLY 81 HA2 GLY 81 159.843 7.196 8.047 665 2HA GLY 81 HA1 GLY 81 160.124 6.065 6.724 666 H ARG 82 HN ARG 82 158.060 8.217 7.103 667 HA ARG 82 HA ARG 82 155.725 6.466 6.827 668 1HB ARG 82 HB2 ARG 82 155.183 7.683 8.699 669 2HB ARG 82 HB1 ARG 82 156.064 9.106 8.160 670 1HG ARG 82 HG2 ARG 82 153.780 8.450 6.467 671 2HG ARG 82 HG1 ARG 82 153.344 8.803 8.140 672 1HD ARG 82 HD2 ARG 82 154.522 10.922 8.026 673 2HD ARG 82 HD1 ARG 82 155.051 10.563 6.383 674 HE ARG 82 HE ARG 82 153.035 11.319 5.645 675 1HH1 ARG 82 HH11 ARG 82 152.703 10.379 8.981 676 2HH1 ARG 82 HH12 ARG 82 151.061 10.918 9.105 677 1HH2 ARG 82 HH21 ARG 82 150.874 12.033 5.796 678 2HH2 ARG 82 HH22 ARG 82 150.021 11.859 7.293 679 H LYS 83 HN LYS 83 154.825 6.379 4.896 680 HA LYS 83 HA LYS 83 154.008 8.344 3.248 681 1HB LYS 83 HB2 LYS 83 155.973 8.337 1.526 682 2HB LYS 83 HB1 LYS 83 156.006 9.430 2.903 683 1HG LYS 83 HG2 LYS 83 157.972 8.600 3.474 684 2HG LYS 83 HG1 LYS 83 157.208 7.033 3.753 685 1HD LYS 83 HD2 LYS 83 158.377 6.205 2.053 686 2HD LYS 83 HD1 LYS 83 157.511 7.293 0.966 687 1HE LYS 83 HE2 LYS 83 159.268 8.677 0.759 688 2HE LYS 83 HE1 LYS 83 159.683 8.562 2.468 689 1HZ LYS 83 HZ1 LYS 83 160.697 7.058 0.217 690 2HZ LYS 83 HZ2 LYS 83 160.345 6.122 1.581 691 3HZ LYS 83 HZ3 LYS 83 161.429 7.414 1.701 692 H LEU 84 HN LEU 84 153.560 7.733 1.040 693 HA LEU 84 HA LEU 84 153.363 4.821 0.749 694 1HB LEU 84 HB2 LEU 84 152.033 6.812 -1.059 695 2HB LEU 84 HB1 LEU 84 151.544 5.170 -0.684 696 HG LEU 84 HG LEU 84 151.177 6.133 1.727 697 1HD1 LEU 84 HD11 LEU 84 151.734 8.301 1.841 698 2HD1 LEU 84 HD12 LEU 84 150.171 8.570 1.070 699 3HD1 LEU 84 HD13 LEU 84 151.638 8.521 0.094 700 1HD2 LEU 84 HD21 LEU 84 149.516 5.308 -0.096 701 2HD2 LEU 84 HD22 LEU 84 149.171 7.026 -0.299 702 3HD2 LEU 84 HD23 LEU 84 148.919 6.255 1.267 703 H LEU 85 HN LEU 85 154.392 3.747 -0.902 704 HA LEU 85 HA LEU 85 155.679 5.337 -2.994 705 1HB LEU 85 HB2 LEU 85 157.709 3.653 -2.397 706 2HB LEU 85 HB1 LEU 85 157.587 5.304 -1.817 707 HG LEU 85 HG LEU 85 156.557 2.923 -0.271 708 1HD1 LEU 85 HD11 LEU 85 159.018 4.349 0.558 709 2HD1 LEU 85 HD12 LEU 85 159.153 3.220 -0.790 710 3HD1 LEU 85 HD13 LEU 85 158.555 2.661 0.773 711 1HD2 LEU 85 HD21 LEU 85 157.100 4.859 1.533 712 2HD2 LEU 85 HD22 LEU 85 155.521 4.622 0.786 713 3HD2 LEU 85 HD23 LEU 85 156.622 5.842 0.149 714 H ARG 86 HN ARG 86 156.198 2.006 -1.909 715 HA ARG 86 HA ARG 86 156.536 0.620 -4.105 716 1HB ARG 86 HB2 ARG 86 155.399 0.013 -1.580 717 2HB ARG 86 HB1 ARG 86 154.430 -0.803 -2.800 718 1HG ARG 86 HG2 ARG 86 156.012 -2.317 -3.180 719 2HG ARG 86 HG1 ARG 86 157.274 -1.090 -3.287 720 1HD ARG 86 HD2 ARG 86 156.709 -1.096 -0.615 721 2HD ARG 86 HD1 ARG 86 156.482 -2.792 -1.039 722 HE ARG 86 HE ARG 86 158.956 -1.387 -0.869 723 1HH1 ARG 86 HH11 ARG 86 157.303 -3.950 -2.549 724 2HH1 ARG 86 HH12 ARG 86 158.757 -4.807 -2.941 725 1HH2 ARG 86 HH21 ARG 86 160.877 -2.506 -1.379 726 2HH2 ARG 86 HH22 ARG 86 160.789 -3.986 -2.275 727 H PHE 87 HN PHE 87 155.498 -0.175 -5.883 728 HA PHE 87 HA PHE 87 152.694 0.012 -6.304 729 1HB PHE 87 HB2 PHE 87 153.898 2.427 -6.633 730 2HB PHE 87 HB1 PHE 87 154.033 1.772 -8.261 731 HD1 PHE 87 HD1 PHE 87 152.135 1.567 -9.670 732 HD2 PHE 87 HD2 PHE 87 151.677 2.737 -5.605 733 HE1 PHE 87 HE1 PHE 87 149.805 2.215 -10.123 734 HE2 PHE 87 HE2 PHE 87 149.348 3.384 -6.050 735 HZ PHE 87 HZ PHE 87 148.407 3.124 -8.311 736 H ASN 88 HN ASN 88 154.019 -2.192 -6.562 737 HA ASN 88 HA ASN 88 154.366 -2.556 -9.462 738 1HB ASN 88 HB2 ASN 88 156.479 -2.659 -7.839 739 2HB ASN 88 HB1 ASN 88 155.903 -4.307 -7.605 740 1HD2 ASN 88 HD21 ASN 88 158.152 -4.535 -8.587 741 2HD2 ASN 88 HD22 ASN 88 158.212 -4.703 -10.306 742 H GLY 89 HN GLY 89 154.525 -5.174 -9.753 743 1HA GLY 89 HA2 GLY 89 152.893 -6.777 -8.111 744 2HA GLY 89 HA1 GLY 89 151.904 -6.097 -9.395 745 HA PRO 90 HA PRO 90 155.506 -8.939 -11.317 746 1HB PRO 90 HB2 PRO 90 155.391 -10.882 -9.059 747 2HB PRO 90 HB1 PRO 90 156.763 -10.407 -10.066 748 1HG PRO 90 HG2 PRO 90 156.530 -9.496 -7.576 749 2HG PRO 90 HG1 PRO 90 157.130 -8.450 -8.877 750 1HD PRO 90 HD2 PRO 90 154.456 -8.487 -7.552 751 2HD PRO 90 HD1 PRO 90 155.392 -7.111 -8.170 752 H VAL 91 HN VAL 91 155.211 -11.252 -12.100 753 HA VAL 91 HA VAL 91 152.342 -11.927 -12.053 754 HB VAL 91 HB VAL 91 153.109 -11.170 -14.256 755 1HG1 VAL 91 HG11 VAL 91 154.636 -13.185 -15.302 756 2HG1 VAL 91 HG12 VAL 91 155.299 -13.015 -13.676 757 3HG1 VAL 91 HG13 VAL 91 155.243 -11.621 -14.756 758 1HG2 VAL 91 HG21 VAL 91 151.881 -12.705 -15.386 759 2HG2 VAL 91 HG22 VAL 91 151.517 -13.259 -13.752 760 3HG2 VAL 91 HG23 VAL 91 152.758 -14.073 -14.703 Start of MODEL 2 1 1H GLY 1 HT1 GLY 1 155.004 -5.698 15.906 2 2H GLY 1 HT2 GLY 1 155.089 -4.027 16.144 3 3H GLY 1 HT3 GLY 1 155.667 -4.705 14.707 4 1HA GLY 1 HA1 GLY 1 152.894 -4.262 15.575 5 2HA GLY 1 HA2 GLY 1 153.643 -3.880 14.033 6 H GLU 2 HN GLU 2 152.698 -5.028 12.486 7 HA GLU 2 HA GLU 2 151.951 -6.805 11.272 8 1HB GLU 2 HB2 GLU 2 154.094 -7.809 12.602 9 2HB GLU 2 HB1 GLU 2 152.823 -8.874 13.187 10 1HG GLU 2 HG2 GLU 2 153.339 -10.066 11.362 11 2HG GLU 2 HG1 GLU 2 152.285 -8.908 10.553 12 H TRP 3 HN TRP 3 149.851 -7.236 11.174 13 HA TRP 3 HA TRP 3 148.540 -8.498 13.457 14 1HB TRP 3 HB2 TRP 3 148.049 -5.762 12.520 15 2HB TRP 3 HB1 TRP 3 146.589 -6.740 12.635 16 HD1 TRP 3 HD1 TRP 3 148.066 -4.296 14.619 17 HE1 TRP 3 HE1 TRP 3 147.802 -4.701 17.147 18 HE3 TRP 3 HE3 TRP 3 146.872 -9.266 14.524 19 HZ2 TRP 3 HZ2 TRP 3 147.174 -6.845 18.873 20 HZ3 TRP 3 HZ3 TRP 3 146.457 -10.419 16.657 21 HH2 TRP 3 HH2 TRP 3 146.604 -9.233 18.786 22 H GLU 4 HN GLU 4 146.918 -7.003 10.702 23 HA GLU 4 HA GLU 4 146.861 -8.890 8.781 24 1HB GLU 4 HB2 GLU 4 145.506 -9.902 11.162 25 2HB GLU 4 HB1 GLU 4 144.472 -9.925 9.740 26 1HG GLU 4 HG2 GLU 4 145.857 -11.395 8.600 27 2HG GLU 4 HG1 GLU 4 147.244 -11.036 9.627 28 H ILE 5 HN ILE 5 144.893 -8.835 7.396 29 HA ILE 5 HA ILE 5 143.987 -6.231 7.040 30 HB ILE 5 HB ILE 5 144.078 -7.934 5.246 31 1HG1 ILE 5 HG12 ILE 5 142.017 -7.245 4.106 32 2HG1 ILE 5 HG11 ILE 5 141.342 -6.698 5.636 33 1HG2 ILE 5 HG21 ILE 5 142.156 -9.498 5.028 34 2HG2 ILE 5 HG22 ILE 5 141.673 -9.060 6.667 35 3HG2 ILE 5 HG23 ILE 5 143.221 -9.857 6.387 36 1HD1 ILE 5 HD11 ILE 5 142.148 -4.825 4.345 37 2HD1 ILE 5 HD12 ILE 5 143.749 -5.555 4.240 38 3HD1 ILE 5 HD13 ILE 5 143.126 -5.019 5.799 39 H ILE 6 HN ILE 6 141.769 -5.423 7.120 40 HA ILE 6 HA ILE 6 140.240 -6.602 9.349 41 HB ILE 6 HB ILE 6 139.341 -4.245 9.661 42 1HG1 ILE 6 HG12 ILE 6 141.791 -3.582 8.012 43 2HG1 ILE 6 HG11 ILE 6 140.123 -3.344 7.503 44 1HG2 ILE 6 HG21 ILE 6 141.988 -5.306 10.388 45 2HG2 ILE 6 HG22 ILE 6 140.671 -4.732 11.411 46 3HG2 ILE 6 HG23 ILE 6 141.761 -3.577 10.645 47 1HD1 ILE 6 HD11 ILE 6 140.247 -2.003 9.899 48 2HD1 ILE 6 HD12 ILE 6 140.339 -1.283 8.292 49 3HD1 ILE 6 HD13 ILE 6 141.818 -1.684 9.164 50 H GLU 7 HN GLU 7 140.039 -4.907 6.254 51 HA GLU 7 HA GLU 7 137.413 -6.123 5.824 52 1HB GLU 7 HB2 GLU 7 138.041 -3.198 5.798 53 2HB GLU 7 HB1 GLU 7 136.834 -3.823 4.682 54 1HG GLU 7 HG2 GLU 7 136.064 -4.955 7.041 55 2HG GLU 7 HG1 GLU 7 136.688 -3.392 7.565 56 H ILE 8 HN ILE 8 136.736 -5.355 3.407 57 HA ILE 8 HA ILE 8 139.068 -5.468 1.653 58 HB ILE 8 HB ILE 8 138.421 -7.820 2.078 59 1HG1 ILE 8 HG12 ILE 8 137.650 -7.271 -0.757 60 2HG1 ILE 8 HG11 ILE 8 139.247 -6.777 -0.205 61 1HG2 ILE 8 HG21 ILE 8 135.868 -6.956 2.090 62 2HG2 ILE 8 HG22 ILE 8 136.336 -8.638 1.843 63 3HG2 ILE 8 HG23 ILE 8 135.974 -7.612 0.456 64 1HD1 ILE 8 HD11 ILE 8 138.125 -9.494 -0.585 65 2HD1 ILE 8 HD12 ILE 8 139.327 -9.254 0.682 66 3HD1 ILE 8 HD13 ILE 8 139.718 -8.857 -0.990 67 H GLY 9 HN GLY 9 136.723 -3.629 2.352 68 1HA GLY 9 HA2 GLY 9 135.571 -3.384 -0.352 69 2HA GLY 9 HA1 GLY 9 134.843 -2.742 1.112 70 HA PRO 10 HA PRO 10 136.529 1.194 -0.028 71 1HB PRO 10 HB2 PRO 10 136.659 2.331 2.468 72 2HB PRO 10 HB1 PRO 10 135.178 2.216 1.511 73 1HG PRO 10 HG2 PRO 10 136.131 0.472 3.746 74 2HG PRO 10 HG1 PRO 10 134.498 1.079 3.415 75 1HD PRO 10 HD2 PRO 10 135.222 -1.440 2.814 76 2HD PRO 10 HD1 PRO 10 134.096 -0.523 1.793 77 H PHE 11 HN PHE 11 137.938 -0.684 2.588 78 HA PHE 11 HA PHE 11 140.296 0.661 3.036 79 1HB PHE 11 HB2 PHE 11 139.657 -1.223 4.406 80 2HB PHE 11 HB1 PHE 11 139.748 -2.313 3.028 81 HD1 PHE 11 HD1 PHE 11 142.078 -2.522 1.895 82 HD2 PHE 11 HD2 PHE 11 141.460 -1.020 5.828 83 HE1 PHE 11 HE1 PHE 11 144.422 -3.024 2.452 84 HE2 PHE 11 HE2 PHE 11 143.802 -1.519 6.390 85 HZ PHE 11 HZ PHE 11 145.286 -2.520 4.699 86 H THR 12 HN THR 12 139.763 -1.992 0.724 87 HA THR 12 HA THR 12 142.294 -1.968 -0.439 88 HB THR 12 HB THR 12 140.464 -2.690 -2.451 89 HG1 THR 12 HG1 THR 12 139.094 -4.102 -1.250 90 1HG2 THR 12 HG21 THR 12 142.177 -4.151 -0.528 91 2HG2 THR 12 HG22 THR 12 142.219 -4.134 -2.288 92 3HG2 THR 12 HG23 THR 12 140.976 -5.058 -1.444 93 H GLN 13 HN GLN 13 139.301 -0.534 -1.755 94 HA GLN 13 HA GLN 13 140.430 0.776 -3.920 95 1HB GLN 13 HB2 GLN 13 138.000 0.544 -3.543 96 2HB GLN 13 HB1 GLN 13 138.100 1.717 -2.237 97 1HG GLN 13 HG2 GLN 13 138.403 3.487 -3.662 98 2HG GLN 13 HG1 GLN 13 139.076 2.480 -4.943 99 1HE2 GLN 13 HE21 GLN 13 136.058 2.440 -3.074 100 2HE2 GLN 13 HE22 GLN 13 135.009 2.397 -4.446 101 H ASN 14 HN ASN 14 140.460 1.620 -0.551 102 HA ASN 14 HA ASN 14 141.024 4.323 -0.654 103 1HB ASN 14 HB2 ASN 14 140.938 2.344 1.317 104 2HB ASN 14 HB1 ASN 14 142.579 2.977 1.399 105 1HD2 ASN 14 HD21 ASN 14 142.276 5.590 0.826 106 2HD2 ASN 14 HD22 ASN 14 141.288 6.363 2.013 107 H LEU 15 HN LEU 15 143.479 1.766 -0.194 108 HA LEU 15 HA LEU 15 145.688 3.371 -0.615 109 1HB LEU 15 HB2 LEU 15 145.339 0.726 -0.117 110 2HB LEU 15 HB1 LEU 15 145.875 0.669 -1.786 111 HG LEU 15 HG LEU 15 147.669 0.432 -0.005 112 1HD1 LEU 15 HD11 LEU 15 148.373 2.757 -1.692 113 2HD1 LEU 15 HD12 LEU 15 147.794 1.307 -2.512 114 3HD1 LEU 15 HD13 LEU 15 149.209 1.221 -1.464 115 1HD2 LEU 15 HD21 LEU 15 148.225 2.123 1.383 116 2HD2 LEU 15 HD22 LEU 15 146.538 2.582 1.149 117 3HD2 LEU 15 HD23 LEU 15 147.806 3.369 0.207 118 H GLY 16 HN GLY 16 143.394 2.116 -2.890 119 1HA GLY 16 HA2 GLY 16 144.859 2.354 -5.271 120 2HA GLY 16 HA1 GLY 16 143.111 2.508 -5.135 121 H LYS 17 HN LYS 17 143.001 4.740 -3.406 122 HA LYS 17 HA LYS 17 143.252 6.853 -5.273 123 1HB LYS 17 HB2 LYS 17 141.898 6.537 -2.942 124 2HB LYS 17 HB1 LYS 17 143.221 7.560 -2.399 125 1HG LYS 17 HG2 LYS 17 141.881 9.235 -3.029 126 2HG LYS 17 HG1 LYS 17 142.466 8.859 -4.651 127 1HD LYS 17 HD2 LYS 17 140.525 7.730 -5.228 128 2HD LYS 17 HD1 LYS 17 140.089 7.417 -3.547 129 1HE LYS 17 HE2 LYS 17 139.289 9.575 -3.223 130 2HE LYS 17 HE1 LYS 17 140.189 10.219 -4.596 131 1HZ LYS 17 HZ1 LYS 17 138.646 8.584 -5.905 132 2HZ LYS 17 HZ2 LYS 17 138.098 10.121 -5.465 133 3HZ LYS 17 HZ3 LYS 17 137.642 8.768 -4.556 134 H PHE 18 HN PHE 18 145.106 6.066 -2.345 135 HA PHE 18 HA PHE 18 147.058 8.081 -2.730 136 1HB PHE 18 HB2 PHE 18 146.422 6.244 -0.720 137 2HB PHE 18 HB1 PHE 18 148.046 5.800 -1.237 138 HD1 PHE 18 HD1 PHE 18 146.670 7.280 1.324 139 HD2 PHE 18 HD2 PHE 18 149.223 8.391 -1.894 140 HE1 PHE 18 HE1 PHE 18 147.596 9.102 2.694 141 HE2 PHE 18 HE2 PHE 18 150.155 10.216 -0.529 142 HZ PHE 18 HZ PHE 18 149.340 10.573 1.768 143 H ALA 19 HN ALA 19 146.522 5.095 -4.215 144 HA ALA 19 HA ALA 19 149.135 4.261 -4.816 145 1HB ALA 19 HB1 ALA 19 146.590 3.324 -5.338 146 2HB ALA 19 HB2 ALA 19 148.099 2.596 -5.887 147 3HB ALA 19 HB3 ALA 19 147.225 3.709 -6.938 148 H VAL 20 HN VAL 20 146.822 6.051 -6.858 149 HA VAL 20 HA VAL 20 148.699 6.664 -8.879 150 HB VAL 20 HB VAL 20 146.220 8.249 -8.191 151 1HG1 VAL 20 HG11 VAL 20 148.159 8.860 -9.986 152 2HG1 VAL 20 HG12 VAL 20 146.470 9.345 -10.136 153 3HG1 VAL 20 HG13 VAL 20 147.056 7.913 -10.985 154 1HG2 VAL 20 HG21 VAL 20 144.894 6.682 -9.102 155 2HG2 VAL 20 HG22 VAL 20 146.223 5.586 -8.727 156 3HG2 VAL 20 HG23 VAL 20 146.071 6.265 -10.348 157 H ASP 21 HN ASP 21 147.881 8.174 -5.845 158 HA ASP 21 HA ASP 21 149.264 10.634 -6.428 159 1HB ASP 21 HB2 ASP 21 147.288 10.095 -4.723 160 2HB ASP 21 HB1 ASP 21 148.642 9.843 -3.624 161 H GLU 22 HN GLU 22 150.144 7.525 -5.224 162 HA GLU 22 HA GLU 22 152.667 8.593 -4.164 163 1HB GLU 22 HB2 GLU 22 152.921 6.579 -2.926 164 2HB GLU 22 HB1 GLU 22 151.257 7.101 -2.708 165 1HG GLU 22 HG2 GLU 22 150.689 5.491 -4.605 166 2HG GLU 22 HG1 GLU 22 152.304 4.830 -4.358 167 H GLU 23 HN GLU 23 151.325 6.757 -6.754 168 HA GLU 23 HA GLU 23 153.419 5.147 -7.554 169 1HB GLU 23 HB2 GLU 23 150.989 5.756 -8.587 170 2HB GLU 23 HB1 GLU 23 152.034 6.584 -9.733 171 1HG GLU 23 HG2 GLU 23 153.190 4.532 -10.229 172 2HG GLU 23 HG1 GLU 23 152.273 3.679 -8.989 173 H ASN 24 HN ASN 24 153.162 8.601 -7.686 174 HA ASN 24 HA ASN 24 155.285 8.948 -9.598 175 1HB ASN 24 HB2 ASN 24 153.689 10.818 -7.868 176 2HB ASN 24 HB1 ASN 24 155.096 11.387 -8.761 177 1HD2 ASN 24 HD21 ASN 24 152.221 9.379 -9.323 178 2HD2 ASN 24 HD22 ASN 24 151.826 10.077 -10.855 179 H LYS 25 HN LYS 25 155.363 7.906 -6.483 180 HA LYS 25 HA LYS 25 157.758 9.412 -5.745 181 1HB LYS 25 HB2 LYS 25 155.817 8.932 -4.130 182 2HB LYS 25 HB1 LYS 25 156.434 7.288 -4.071 183 1HG LYS 25 HG2 LYS 25 158.671 8.861 -3.629 184 2HG LYS 25 HG1 LYS 25 157.382 9.672 -2.738 185 1HD LYS 25 HD2 LYS 25 157.002 7.838 -1.367 186 2HD LYS 25 HD1 LYS 25 157.733 6.708 -2.509 187 1HE LYS 25 HE2 LYS 25 159.560 6.814 -1.233 188 2HE LYS 25 HE1 LYS 25 159.800 8.431 -1.895 189 1HZ LYS 25 HZ1 LYS 25 159.105 9.412 0.006 190 2HZ LYS 25 HZ2 LYS 25 159.645 7.964 0.693 191 3HZ LYS 25 HZ3 LYS 25 157.998 8.191 0.386 192 H ILE 26 HN ILE 26 156.971 5.977 -5.209 193 HA ILE 26 HA ILE 26 159.532 5.007 -5.237 194 HB ILE 26 HB ILE 26 157.435 3.749 -4.660 195 1HG1 ILE 26 HG12 ILE 26 158.355 1.578 -5.216 196 2HG1 ILE 26 HG11 ILE 26 159.314 2.281 -6.513 197 1HG2 ILE 26 HG21 ILE 26 156.168 4.224 -6.683 198 2HG2 ILE 26 HG22 ILE 26 156.302 2.489 -6.398 199 3HG2 ILE 26 HG23 ILE 26 157.306 3.259 -7.622 200 1HD1 ILE 26 HD11 ILE 26 160.915 2.995 -5.111 201 2HD1 ILE 26 HD12 ILE 26 160.256 1.745 -4.055 202 3HD1 ILE 26 HD13 ILE 26 159.766 3.427 -3.846 203 H GLY 27 HN GLY 27 157.379 5.440 -8.024 204 1HA GLY 27 HA2 GLY 27 159.573 4.657 -9.812 205 2HA GLY 27 HA1 GLY 27 157.881 4.795 -10.265 206 H GLN 28 HN GLN 28 159.242 5.938 -12.050 207 HA GLN 28 HA GLN 28 160.138 8.592 -11.477 208 1HB GLN 28 HB2 GLN 28 160.771 6.959 -13.436 209 2HB GLN 28 HB1 GLN 28 159.391 7.699 -14.233 210 1HG GLN 28 HG2 GLN 28 160.415 9.904 -13.941 211 2HG GLN 28 HG1 GLN 28 161.807 9.145 -13.168 212 1HE2 GLN 28 HE21 GLN 28 159.871 8.677 -16.111 213 2HE2 GLN 28 HE22 GLN 28 161.220 8.511 -17.177 214 H TYR 29 HN TYR 29 157.310 7.261 -13.180 215 HA TYR 29 HA TYR 29 155.771 9.606 -12.377 216 1HB TYR 29 HB2 TYR 29 156.799 9.300 -14.999 217 2HB TYR 29 HB1 TYR 29 155.069 8.992 -15.092 218 HD1 TYR 29 HD1 TYR 29 157.549 11.483 -15.143 219 HD2 TYR 29 HD2 TYR 29 153.564 10.761 -13.838 220 HE1 TYR 29 HE1 TYR 29 157.126 13.904 -15.116 221 HE2 TYR 29 HE2 TYR 29 153.130 13.181 -13.809 222 HH TYR 29 HH TYR 29 155.071 15.396 -13.576 223 H GLY 30 HN GLY 30 153.552 9.247 -12.222 224 1HA GLY 30 HA2 GLY 30 152.818 6.416 -12.143 225 2HA GLY 30 HA1 GLY 30 151.941 7.735 -11.384 226 H ARG 31 HN ARG 31 150.521 5.881 -12.734 227 HA ARG 31 HA ARG 31 149.537 7.428 -15.016 228 1HB ARG 31 HB2 ARG 31 150.720 4.750 -15.117 229 2HB ARG 31 HB1 ARG 31 149.125 4.834 -15.853 230 1HG ARG 31 HG2 ARG 31 150.958 7.000 -16.610 231 2HG ARG 31 HG1 ARG 31 151.433 5.385 -17.139 232 1HD ARG 31 HD2 ARG 31 149.545 5.115 -18.446 233 2HD ARG 31 HD1 ARG 31 148.623 6.316 -17.541 234 HE ARG 31 HE ARG 31 150.324 6.785 -19.796 235 1HH1 ARG 31 HH11 ARG 31 149.010 8.216 -16.897 236 2HH1 ARG 31 HH12 ARG 31 149.160 9.839 -17.481 237 1HH2 ARG 31 HH21 ARG 31 150.521 8.919 -20.567 238 2HH2 ARG 31 HH22 ARG 31 150.016 10.239 -19.563 239 H LEU 32 HN LEU 32 147.404 6.214 -15.819 240 HA LEU 32 HA LEU 32 145.585 6.391 -13.642 241 1HB LEU 32 HB2 LEU 32 145.447 6.387 -16.468 242 2HB LEU 32 HB1 LEU 32 144.405 5.091 -15.911 243 HG LEU 32 HG LEU 32 143.519 6.982 -14.273 244 1HD1 LEU 32 HD11 LEU 32 143.423 9.047 -15.972 245 2HD1 LEU 32 HD12 LEU 32 145.022 8.420 -16.371 246 3HD1 LEU 32 HD13 LEU 32 144.647 8.890 -14.713 247 1HD2 LEU 32 HD21 LEU 32 142.642 7.072 -17.141 248 2HD2 LEU 32 HD22 LEU 32 141.668 7.211 -15.677 249 3HD2 LEU 32 HD23 LEU 32 142.356 5.653 -16.133 250 H THR 33 HN THR 33 146.057 4.823 -12.122 251 HA THR 33 HA THR 33 145.675 2.032 -12.984 252 HB THR 33 HB THR 33 147.920 2.621 -12.012 253 HG1 THR 33 HG1 THR 33 146.253 0.710 -10.780 254 1HG2 THR 33 HG21 THR 33 148.110 3.746 -10.126 255 2HG2 THR 33 HG22 THR 33 147.279 2.447 -9.271 256 3HG2 THR 33 HG23 THR 33 146.357 3.787 -9.954 257 H PHE 34 HN PHE 34 143.516 3.829 -12.405 258 HA PHE 34 HA PHE 34 142.525 2.815 -9.832 259 1HB PHE 34 HB2 PHE 34 142.525 5.374 -10.819 260 2HB PHE 34 HB1 PHE 34 140.897 4.833 -11.212 261 HD1 PHE 34 HD1 PHE 34 140.028 3.240 -9.046 262 HD2 PHE 34 HD2 PHE 34 142.518 6.690 -8.948 263 HE1 PHE 34 HE1 PHE 34 139.321 3.678 -6.729 264 HE2 PHE 34 HE2 PHE 34 141.817 7.134 -6.631 265 HZ PHE 34 HZ PHE 34 140.217 5.628 -5.519 266 H ASN 35 HN ASN 35 142.581 1.265 -12.365 267 HA ASN 35 HA ASN 35 139.921 1.135 -13.379 268 1HB ASN 35 HB2 ASN 35 142.033 0.357 -14.559 269 2HB ASN 35 HB1 ASN 35 141.984 -1.063 -13.518 270 1HD2 ASN 35 HD21 ASN 35 139.534 0.779 -15.307 271 2HD2 ASN 35 HD22 ASN 35 138.883 -0.582 -16.150 272 H LYS 36 HN LYS 36 141.757 -1.252 -11.451 273 HA LYS 36 HA LYS 36 139.335 -1.807 -9.915 274 1HB LYS 36 HB2 LYS 36 140.631 -3.654 -11.819 275 2HB LYS 36 HB1 LYS 36 140.246 -4.344 -10.250 276 1HG LYS 36 HG2 LYS 36 137.959 -4.011 -10.527 277 2HG LYS 36 HG1 LYS 36 138.194 -2.821 -11.808 278 1HD LYS 36 HD2 LYS 36 139.279 -4.799 -13.096 279 2HD LYS 36 HD1 LYS 36 138.415 -5.804 -11.929 280 1HE LYS 36 HE2 LYS 36 136.520 -3.966 -12.772 281 2HE LYS 36 HE1 LYS 36 137.417 -4.356 -14.238 282 1HZ LYS 36 HZ1 LYS 36 136.835 -6.578 -14.099 283 2HZ LYS 36 HZ2 LYS 36 135.418 -5.801 -13.603 284 3HZ LYS 36 HZ3 LYS 36 136.448 -6.495 -12.453 285 H VAL 37 HN VAL 37 140.923 -0.483 -8.544 286 HA VAL 37 HA VAL 37 143.196 -1.875 -7.474 287 HB VAL 37 HB VAL 37 141.819 0.542 -6.301 288 1HG1 VAL 37 HG11 VAL 37 144.646 0.545 -5.997 289 2HG1 VAL 37 HG12 VAL 37 144.036 -1.023 -5.473 290 3HG1 VAL 37 HG13 VAL 37 143.403 0.456 -4.752 291 1HG2 VAL 37 HG21 VAL 37 143.842 1.660 -7.583 292 2HG2 VAL 37 HG22 VAL 37 142.291 1.381 -8.374 293 3HG2 VAL 37 HG23 VAL 37 143.630 0.267 -8.643 294 H ILE 38 HN ILE 38 142.676 -3.746 -6.439 295 HA ILE 38 HA ILE 38 141.448 -3.532 -3.864 296 HB ILE 38 HB ILE 38 139.762 -5.421 -4.429 297 1HG1 ILE 38 HG12 ILE 38 139.717 -4.106 -7.128 298 2HG1 ILE 38 HG11 ILE 38 140.770 -5.487 -6.841 299 1HG2 ILE 38 HG21 ILE 38 138.153 -3.868 -4.257 300 2HG2 ILE 38 HG22 ILE 38 138.749 -2.946 -5.639 301 3HG2 ILE 38 HG23 ILE 38 139.503 -2.753 -4.059 302 1HD1 ILE 38 HD11 ILE 38 138.141 -6.057 -5.870 303 2HD1 ILE 38 HD12 ILE 38 139.080 -6.882 -7.115 304 3HD1 ILE 38 HD13 ILE 38 138.065 -5.506 -7.543 305 H LYS 39 HN LYS 39 140.949 -6.630 -5.202 306 HA LYS 39 HA LYS 39 141.981 -8.623 -4.945 307 1HB LYS 39 HB2 LYS 39 144.251 -6.758 -5.439 308 2HB LYS 39 HB1 LYS 39 144.609 -8.417 -4.974 309 1HG LYS 39 HG2 LYS 39 142.874 -7.639 -7.310 310 2HG LYS 39 HG1 LYS 39 144.596 -8.012 -7.424 311 1HD LYS 39 HD2 LYS 39 144.261 -10.258 -6.843 312 2HD LYS 39 HD1 LYS 39 142.646 -9.944 -6.206 313 1HE LYS 39 HE2 LYS 39 141.925 -9.363 -8.523 314 2HE LYS 39 HE1 LYS 39 143.509 -9.885 -9.092 315 1HZ LYS 39 HZ1 LYS 39 142.969 -12.035 -8.873 316 2HZ LYS 39 HZ2 LYS 39 141.370 -11.483 -8.910 317 3HZ LYS 39 HZ3 LYS 39 142.120 -11.801 -7.427 318 HA PRO 40 HA PRO 40 142.773 -9.669 -0.768 319 1HB PRO 40 HB2 PRO 40 145.318 -10.972 -1.614 320 2HB PRO 40 HB1 PRO 40 143.979 -11.626 -0.664 321 1HG PRO 40 HG2 PRO 40 144.284 -12.317 -3.212 322 2HG PRO 40 HG1 PRO 40 142.670 -12.027 -2.538 323 1HD PRO 40 HD2 PRO 40 144.321 -10.297 -4.325 324 2HD PRO 40 HD1 PRO 40 142.561 -10.534 -4.292 325 H CYS 41 HN CYS 41 143.208 -7.455 -0.199 326 HA CYS 41 HA CYS 41 145.921 -6.490 -0.161 327 1HB CYS 41 HB2 CYS 41 145.012 -4.501 0.837 328 2HB CYS 41 HB1 CYS 41 143.919 -5.019 -0.440 329 HG CYS 41 HG CYS 41 142.422 -4.443 1.539 330 H MET 42 HN MET 42 146.090 -5.223 2.305 331 HA MET 42 HA MET 42 145.602 -6.902 4.515 332 1HB MET 42 HB2 MET 42 147.585 -7.959 2.998 333 2HB MET 42 HB1 MET 42 148.522 -6.920 4.065 334 1HG MET 42 HG2 MET 42 148.520 -8.813 5.306 335 2HG MET 42 HG1 MET 42 147.034 -8.083 5.911 336 1HE MET 42 HE1 MET 42 148.706 -11.026 4.223 337 2HE MET 42 HE2 MET 42 147.419 -12.207 4.468 338 3HE MET 42 HE3 MET 42 148.067 -11.311 5.842 339 H LYS 43 HN LYS 43 146.450 -6.072 6.493 340 HA LYS 43 HA LYS 43 147.867 -3.515 6.374 341 1HB LYS 43 HB2 LYS 43 145.215 -3.359 6.449 342 2HB LYS 43 HB1 LYS 43 145.480 -3.652 8.161 343 1HG LYS 43 HG2 LYS 43 147.311 -1.654 7.361 344 2HG LYS 43 HG1 LYS 43 145.730 -1.222 6.705 345 1HD LYS 43 HD2 LYS 43 144.838 -0.854 8.752 346 2HD LYS 43 HD1 LYS 43 145.748 -2.168 9.499 347 1HE LYS 43 HE2 LYS 43 147.592 -0.159 8.707 348 2HE LYS 43 HE1 LYS 43 146.272 0.626 9.571 349 1HZ LYS 43 HZ1 LYS 43 147.229 -1.795 10.817 350 2HZ LYS 43 HZ2 LYS 43 146.897 -0.284 11.499 351 3HZ LYS 43 HZ3 LYS 43 148.383 -0.560 10.741 352 H LYS 44 HN LYS 44 148.679 -2.842 8.505 353 HA LYS 44 HA LYS 44 148.470 -4.514 10.777 354 1HB LYS 44 HB2 LYS 44 150.819 -5.351 10.792 355 2HB LYS 44 HB1 LYS 44 149.805 -6.085 9.558 356 1HG LYS 44 HG2 LYS 44 151.295 -3.712 8.687 357 2HG LYS 44 HG1 LYS 44 152.286 -5.103 9.128 358 1HD LYS 44 HD2 LYS 44 149.929 -5.637 7.420 359 2HD LYS 44 HD1 LYS 44 151.260 -4.751 6.676 360 1HE LYS 44 HE2 LYS 44 152.151 -7.043 8.238 361 2HE LYS 44 HE1 LYS 44 151.064 -7.489 6.924 362 1HZ LYS 44 HZ1 LYS 44 153.060 -7.506 5.853 363 2HZ LYS 44 HZ2 LYS 44 153.728 -6.275 6.800 364 3HZ LYS 44 HZ3 LYS 44 152.619 -5.895 5.582 365 H THR 45 HN THR 45 148.647 -3.100 12.365 366 HA THR 45 HA THR 45 149.846 -0.577 12.077 367 HB THR 45 HB THR 45 149.430 -1.546 14.821 368 HG1 THR 45 HG1 THR 45 147.390 -1.639 12.878 369 1HG2 THR 45 HG21 THR 45 147.871 0.455 14.824 370 2HG2 THR 45 HG22 THR 45 148.516 0.815 13.222 371 3HG2 THR 45 HG23 THR 45 149.594 0.775 14.618 372 H ILE 46 HN ILE 46 151.535 0.287 13.558 373 HA ILE 46 HA ILE 46 153.564 -1.715 14.275 374 HB ILE 46 HB ILE 46 154.236 0.876 12.884 375 1HG1 ILE 46 HG12 ILE 46 154.989 -1.117 11.167 376 2HG1 ILE 46 HG11 ILE 46 153.484 -1.761 11.817 377 1HG2 ILE 46 HG21 ILE 46 155.820 -0.516 14.509 378 2HG2 ILE 46 HG22 ILE 46 156.425 0.311 13.074 379 3HG2 ILE 46 HG23 ILE 46 156.102 -1.420 13.021 380 1HD1 ILE 46 HD11 ILE 46 152.218 -0.085 10.906 381 2HD1 ILE 46 HD12 ILE 46 153.475 -0.278 9.684 382 3HD1 ILE 46 HD13 ILE 46 153.567 1.048 10.843 383 H TYR 47 HN TYR 47 152.235 -0.991 16.311 384 HA TYR 47 HA TYR 47 153.119 1.525 17.441 385 1HB TYR 47 HB2 TYR 47 151.706 0.957 19.340 386 2HB TYR 47 HB1 TYR 47 150.822 0.698 17.839 387 HD1 TYR 47 HD1 TYR 47 152.198 -0.859 20.817 388 HD2 TYR 47 HD2 TYR 47 150.397 -1.605 17.035 389 HE1 TYR 47 HE1 TYR 47 151.698 -3.162 21.517 390 HE2 TYR 47 HE2 TYR 47 149.893 -3.911 17.726 391 HH TYR 47 HH TYR 47 150.129 -4.961 20.944 392 H GLU 48 HN GLU 48 154.426 1.787 19.233 393 HA GLU 48 HA GLU 48 156.497 -0.164 19.519 394 1HB GLU 48 HB2 GLU 48 157.117 2.153 19.545 395 2HB GLU 48 HB1 GLU 48 156.015 2.480 20.873 396 1HG GLU 48 HG2 GLU 48 157.651 2.106 22.308 397 2HG GLU 48 HG1 GLU 48 157.772 0.444 21.733 398 H ASN 49 HN ASN 49 155.025 1.505 22.193 399 HA ASN 49 HA ASN 49 153.800 -0.769 23.369 400 1HB ASN 49 HB2 ASN 49 156.623 -0.226 24.002 401 2HB ASN 49 HB1 ASN 49 155.584 -0.402 25.414 402 1HD2 ASN 49 HD21 ASN 49 153.817 -2.279 24.699 403 2HD2 ASN 49 HD22 ASN 49 154.611 -3.772 24.352 404 H GLU 50 HN GLU 50 155.548 2.171 24.366 405 HA GLU 50 HA GLU 50 153.249 2.922 26.023 406 1HB GLU 50 HB2 GLU 50 155.660 2.874 26.914 407 2HB GLU 50 HB1 GLU 50 155.913 4.324 25.955 408 1HG GLU 50 HG2 GLU 50 153.880 5.264 27.200 409 2HG GLU 50 HG1 GLU 50 154.130 3.930 28.325 410 H ARG 51 HN ARG 51 153.110 3.108 23.170 411 HA ARG 51 HA ARG 51 152.314 4.533 21.585 412 1HB ARG 51 HB2 ARG 51 151.012 5.441 23.550 413 2HB ARG 51 HB1 ARG 51 152.272 6.654 23.734 414 1HG ARG 51 HG2 ARG 51 151.800 7.498 21.496 415 2HG ARG 51 HG1 ARG 51 150.546 6.272 21.296 416 1HD ARG 51 HD2 ARG 51 149.103 7.313 22.736 417 2HD ARG 51 HD1 ARG 51 150.400 8.058 23.667 418 HE ARG 51 HE ARG 51 149.057 9.159 21.392 419 1HH1 ARG 51 HH11 ARG 51 152.055 9.154 23.180 420 2HH1 ARG 51 HH12 ARG 51 152.521 10.733 22.645 421 1HH2 ARG 51 HH21 ARG 51 149.671 11.236 20.686 422 2HH2 ARG 51 HH22 ARG 51 151.169 11.916 21.231 423 H GLU 52 HN GLU 52 154.956 4.128 21.490 424 HA GLU 52 HA GLU 52 156.286 6.712 21.362 425 1HB GLU 52 HB2 GLU 52 157.147 3.922 21.580 426 2HB GLU 52 HB1 GLU 52 158.131 4.880 20.483 427 1HG GLU 52 HG2 GLU 52 157.536 6.147 23.064 428 2HG GLU 52 HG1 GLU 52 158.538 4.699 23.143 429 H ILE 53 HN ILE 53 154.705 4.529 19.296 430 HA ILE 53 HA ILE 53 155.418 6.173 17.017 431 HB ILE 53 HB ILE 53 157.034 4.592 16.575 432 1HG1 ILE 53 HG12 ILE 53 154.750 3.212 15.185 433 2HG1 ILE 53 HG11 ILE 53 155.243 4.833 14.727 434 1HG2 ILE 53 HG21 ILE 53 155.645 2.989 18.351 435 2HG2 ILE 53 HG22 ILE 53 157.159 2.604 17.538 436 3HG2 ILE 53 HG23 ILE 53 155.627 2.083 16.841 437 1HD1 ILE 53 HD11 ILE 53 157.127 2.497 14.796 438 2HD1 ILE 53 HD12 ILE 53 157.382 4.077 14.057 439 3HD1 ILE 53 HD13 ILE 53 156.205 2.959 13.368 440 H LYS 54 HN LYS 54 153.892 3.054 16.851 441 HA LYS 54 HA LYS 54 151.734 2.394 16.455 442 1HB LYS 54 HB2 LYS 54 151.194 4.265 18.149 443 2HB LYS 54 HB1 LYS 54 150.811 5.245 16.741 444 1HG LYS 54 HG2 LYS 54 148.746 4.436 17.012 445 2HG LYS 54 HG1 LYS 54 149.384 2.997 16.217 446 1HD LYS 54 HD2 LYS 54 148.774 1.862 18.038 447 2HD LYS 54 HD1 LYS 54 150.098 2.671 18.879 448 1HE LYS 54 HE2 LYS 54 147.420 3.987 18.622 449 2HE LYS 54 HE1 LYS 54 147.707 2.779 19.874 450 1HZ LYS 54 HZ1 LYS 54 148.237 5.417 20.102 451 2HZ LYS 54 HZ2 LYS 54 149.759 4.791 19.717 452 3HZ LYS 54 HZ3 LYS 54 148.921 4.203 21.063 453 H GLY 55 HN GLY 55 153.161 2.454 14.335 454 1HA GLY 55 HA2 GLY 55 152.273 4.343 12.337 455 2HA GLY 55 HA1 GLY 55 153.347 2.977 12.084 456 H TYR 56 HN TYR 56 152.259 2.417 10.171 457 HA TYR 56 HA TYR 56 150.246 0.496 10.506 458 1HB TYR 56 HB2 TYR 56 148.422 1.679 9.215 459 2HB TYR 56 HB1 TYR 56 148.667 2.219 10.868 460 HD1 TYR 56 HD1 TYR 56 149.329 4.470 11.346 461 HD2 TYR 56 HD2 TYR 56 149.183 3.106 7.315 462 HE1 TYR 56 HE1 TYR 56 149.486 6.790 10.559 463 HE2 TYR 56 HE2 TYR 56 149.343 5.423 6.522 464 HH TYR 56 HH TYR 56 148.831 7.708 7.392 465 H GLU 57 HN GLU 57 150.919 -0.914 9.054 466 HA GLU 57 HA GLU 57 152.016 0.016 6.522 467 1HB GLU 57 HB2 GLU 57 152.856 -1.958 8.168 468 2HB GLU 57 HB1 GLU 57 151.856 -2.883 7.057 469 1HG GLU 57 HG2 GLU 57 153.741 -0.988 5.828 470 2HG GLU 57 HG1 GLU 57 154.453 -2.370 6.655 471 H TYR 58 HN TYR 58 150.864 0.089 4.740 472 HA TYR 58 HA TYR 58 148.325 -1.405 4.651 473 1HB TYR 58 HB2 TYR 58 148.997 1.317 4.075 474 2HB TYR 58 HB1 TYR 58 148.455 0.558 2.584 475 HD1 TYR 58 HD1 TYR 58 146.166 0.005 2.248 476 HD2 TYR 58 HD2 TYR 58 147.484 1.392 6.047 477 HE1 TYR 58 HE1 TYR 58 143.827 0.309 2.943 478 HE2 TYR 58 HE2 TYR 58 145.148 1.698 6.755 479 HH TYR 58 HH TYR 58 142.496 1.409 4.521 480 H GLN 59 HN GLN 59 148.413 -3.182 3.451 481 HA GLN 59 HA GLN 59 150.176 -3.234 1.093 482 1HB GLN 59 HB2 GLN 59 148.949 -5.592 2.537 483 2HB GLN 59 HB1 GLN 59 150.164 -5.647 1.267 484 1HG GLN 59 HG2 GLN 59 151.268 -4.031 3.245 485 2HG GLN 59 HG1 GLN 59 150.486 -5.351 4.111 486 1HE2 GLN 59 HE21 GLN 59 152.102 -5.257 0.962 487 2HE2 GLN 59 HE22 GLN 59 153.283 -6.461 1.338 488 H LEU 60 HN LEU 60 148.947 -2.530 -0.596 489 HA LEU 60 HA LEU 60 146.337 -3.779 -0.936 490 1HB LEU 60 HB2 LEU 60 146.997 -1.071 -0.875 491 2HB LEU 60 HB1 LEU 60 146.695 -1.426 -2.564 492 HG LEU 60 HG LEU 60 144.642 -0.667 -1.650 493 1HD1 LEU 60 HD11 LEU 60 144.326 -3.642 -1.598 494 2HD1 LEU 60 HD12 LEU 60 144.645 -2.757 -3.089 495 3HD1 LEU 60 HD13 LEU 60 143.188 -2.415 -2.156 496 1HD2 LEU 60 HD21 LEU 60 144.022 -0.924 0.472 497 2HD2 LEU 60 HD22 LEU 60 145.590 -1.682 0.749 498 3HD2 LEU 60 HD23 LEU 60 144.180 -2.678 0.382 499 H TYR 61 HN TYR 61 145.690 -4.503 -2.983 500 HA TYR 61 HA TYR 61 147.924 -4.907 -4.856 501 1HB TYR 61 HB2 TYR 61 145.618 -6.615 -4.039 502 2HB TYR 61 HB1 TYR 61 146.205 -6.754 -5.694 503 HD1 TYR 61 HD1 TYR 61 147.998 -8.158 -6.163 504 HD2 TYR 61 HD2 TYR 61 147.393 -6.849 -2.161 505 HE1 TYR 61 HE1 TYR 61 149.783 -9.670 -5.405 506 HE2 TYR 61 HE2 TYR 61 149.177 -8.358 -1.392 507 HH TYR 61 HH TYR 61 151.371 -9.817 -3.464 508 H VAL 62 HN VAL 62 147.551 -2.847 -5.799 509 HA VAL 62 HA VAL 62 145.103 -2.001 -6.881 510 HB VAL 62 HB VAL 62 147.825 -1.252 -7.940 511 1HG1 VAL 62 HG11 VAL 62 146.844 0.531 -8.931 512 2HG1 VAL 62 HG12 VAL 62 145.604 0.684 -7.688 513 3HG1 VAL 62 HG13 VAL 62 145.452 -0.552 -8.937 514 1HG2 VAL 62 HG21 VAL 62 146.535 -0.637 -5.357 515 2HG2 VAL 62 HG22 VAL 62 147.276 0.720 -6.203 516 3HG2 VAL 62 HG23 VAL 62 148.243 -0.695 -5.789 517 H TYR 63 HN TYR 63 144.148 -3.682 -8.058 518 HA TYR 63 HA TYR 63 145.561 -4.780 -10.344 519 1HB TYR 63 HB2 TYR 63 143.971 -6.099 -8.814 520 2HB TYR 63 HB1 TYR 63 142.668 -5.272 -9.659 521 HD1 TYR 63 HD1 TYR 63 145.753 -7.239 -10.434 522 HD2 TYR 63 HD2 TYR 63 141.734 -6.324 -11.487 523 HE1 TYR 63 HE1 TYR 63 145.843 -8.927 -12.220 524 HE2 TYR 63 HE2 TYR 63 141.811 -8.011 -13.273 525 HH TYR 63 HH TYR 63 144.479 -9.223 -14.545 526 H ALA 64 HN ALA 64 145.795 -2.683 -11.384 527 HA ALA 64 HA ALA 64 143.519 -1.232 -12.280 528 1HB ALA 64 HB1 ALA 64 146.417 -1.025 -12.532 529 2HB ALA 64 HB2 ALA 64 145.196 0.237 -12.373 530 3HB ALA 64 HB3 ALA 64 145.538 -0.464 -13.955 531 H SER 65 HN SER 65 143.672 -0.684 -14.834 532 HA SER 65 HA SER 65 142.584 -2.967 -16.108 533 1HB SER 65 HB2 SER 65 142.279 -0.355 -16.541 534 2HB SER 65 HB1 SER 65 143.532 -0.663 -17.744 535 HG SER 65 HG SER 65 141.102 -2.116 -17.532 536 H ASP 66 HN ASP 66 145.603 -1.164 -16.675 537 HA ASP 66 HA ASP 66 146.642 -2.696 -18.701 538 1HB ASP 66 HB2 ASP 66 147.537 -0.582 -17.168 539 2HB ASP 66 HB1 ASP 66 148.692 -1.862 -16.814 540 H LYS 67 HN LYS 67 147.069 -3.106 -15.266 541 HA LYS 67 HA LYS 67 147.017 -5.883 -15.230 542 1HB LYS 67 HB2 LYS 67 149.650 -4.715 -15.875 543 2HB LYS 67 HB1 LYS 67 149.663 -5.926 -14.600 544 1HG LYS 67 HG2 LYS 67 148.065 -6.844 -16.792 545 2HG LYS 67 HG1 LYS 67 149.651 -6.337 -17.373 546 1HD LYS 67 HD2 LYS 67 150.664 -8.098 -16.442 547 2HD LYS 67 HD1 LYS 67 149.807 -7.885 -14.915 548 1HE LYS 67 HE2 LYS 67 147.807 -8.939 -16.001 549 2HE LYS 67 HE1 LYS 67 148.835 -9.315 -17.381 550 1HZ LYS 67 HZ1 LYS 67 149.841 -10.143 -14.783 551 2HZ LYS 67 HZ2 LYS 67 149.881 -10.951 -16.269 552 3HZ LYS 67 HZ3 LYS 67 148.471 -10.968 -15.337 553 H LEU 68 HN LEU 68 148.527 -6.633 -13.160 554 HA LEU 68 HA LEU 68 147.284 -5.362 -10.953 555 1HB LEU 68 HB2 LEU 68 148.961 -6.816 -9.634 556 2HB LEU 68 HB1 LEU 68 147.709 -7.603 -10.574 557 HG LEU 68 HG LEU 68 150.249 -7.188 -12.009 558 1HD1 LEU 68 HD11 LEU 68 150.176 -9.361 -9.948 559 2HD1 LEU 68 HD12 LEU 68 150.848 -7.774 -9.579 560 3HD1 LEU 68 HD13 LEU 68 151.548 -8.749 -10.871 561 1HD2 LEU 68 HD21 LEU 68 148.954 -8.549 -13.251 562 2HD2 LEU 68 HD22 LEU 68 148.029 -9.115 -11.860 563 3HD2 LEU 68 HD23 LEU 68 149.615 -9.806 -12.206 564 H PHE 69 HN PHE 69 148.564 -4.585 -9.019 565 HA PHE 69 HA PHE 69 151.147 -3.459 -9.431 566 1HB PHE 69 HB2 PHE 69 148.738 -1.764 -9.874 567 2HB PHE 69 HB1 PHE 69 150.094 -1.047 -9.010 568 HD1 PHE 69 HD1 PHE 69 152.452 -1.568 -10.188 569 HD2 PHE 69 HD2 PHE 69 148.671 -1.447 -12.137 570 HE1 PHE 69 HE1 PHE 69 153.576 -1.113 -12.330 571 HE2 PHE 69 HE2 PHE 69 149.786 -0.991 -14.282 572 HZ PHE 69 HZ PHE 69 152.242 -0.822 -14.380 573 H ARG 70 HN ARG 70 151.010 -4.901 -7.461 574 HA ARG 70 HA ARG 70 149.653 -4.135 -5.151 575 1HB ARG 70 HB2 ARG 70 150.622 -6.357 -5.417 576 2HB ARG 70 HB1 ARG 70 152.239 -5.667 -5.435 577 1HG ARG 70 HG2 ARG 70 151.785 -4.817 -3.111 578 2HG ARG 70 HG1 ARG 70 150.317 -5.797 -3.128 579 1HD ARG 70 HD2 ARG 70 152.105 -7.012 -2.042 580 2HD ARG 70 HD1 ARG 70 151.684 -7.796 -3.563 581 HE ARG 70 HE ARG 70 153.769 -7.282 -4.384 582 1HH1 ARG 70 HH11 ARG 70 153.230 -5.525 -1.414 583 2HH1 ARG 70 HH12 ARG 70 154.878 -5.010 -1.275 584 1HH2 ARG 70 HH21 ARG 70 155.935 -6.608 -4.200 585 2HH2 ARG 70 HH22 ARG 70 156.413 -5.623 -2.856 586 H ALA 71 HN ALA 71 149.950 -2.478 -3.786 587 HA ALA 71 HA ALA 71 152.566 -1.133 -3.840 588 1HB ALA 71 HB1 ALA 71 149.901 0.161 -3.292 589 2HB ALA 71 HB2 ALA 71 150.745 0.212 -4.840 590 3HB ALA 71 HB3 ALA 71 151.463 0.971 -3.419 591 H ASP 72 HN ASP 72 153.241 -0.058 -1.803 592 HA ASP 72 HA ASP 72 151.866 -1.222 0.535 593 1HB ASP 72 HB2 ASP 72 154.206 -2.288 -0.405 594 2HB ASP 72 HB1 ASP 72 154.799 -1.137 0.787 595 H ILE 73 HN ILE 73 151.890 -0.002 2.381 596 HA ILE 73 HA ILE 73 153.395 2.509 2.362 597 HB ILE 73 HB ILE 73 150.421 2.262 2.780 598 1HG1 ILE 73 HG12 ILE 73 150.739 4.378 1.184 599 2HG1 ILE 73 HG11 ILE 73 152.230 3.535 0.790 600 1HG2 ILE 73 HG21 ILE 73 152.334 4.291 3.807 601 2HG2 ILE 73 HG22 ILE 73 150.836 3.687 4.515 602 3HG2 ILE 73 HG23 ILE 73 150.779 4.854 3.195 603 1HD1 ILE 73 HD11 ILE 73 150.026 1.709 0.755 604 2HD1 ILE 73 HD12 ILE 73 151.153 2.139 -0.531 605 3HD1 ILE 73 HD13 ILE 73 149.700 3.103 -0.275 606 H SER 74 HN SER 74 154.757 1.739 3.959 607 HA SER 74 HA SER 74 153.598 0.860 6.486 608 1HB SER 74 HB2 SER 74 156.441 1.081 6.651 609 2HB SER 74 HB1 SER 74 155.463 -0.385 6.631 610 HG SER 74 HG SER 74 156.066 -0.720 4.651 611 H GLU 75 HN GLU 75 153.258 2.212 8.115 612 HA GLU 75 HA GLU 75 154.493 4.857 7.915 613 1HB GLU 75 HB2 GLU 75 151.907 4.356 7.987 614 2HB GLU 75 HB1 GLU 75 152.191 4.308 9.721 615 1HG GLU 75 HG2 GLU 75 153.417 6.587 8.449 616 2HG GLU 75 HG1 GLU 75 151.677 6.524 8.207 617 H ASP 76 HN ASP 76 155.287 5.896 9.703 618 HA ASP 76 HA ASP 76 155.746 4.362 12.103 619 1HB ASP 76 HB2 ASP 76 157.765 5.079 10.165 620 2HB ASP 76 HB1 ASP 76 158.112 5.822 11.723 621 H TYR 77 HN TYR 77 156.531 5.823 13.919 622 HA TYR 77 HA TYR 77 155.593 8.576 13.509 623 1HB TYR 77 HB2 TYR 77 154.476 6.546 15.274 624 2HB TYR 77 HB1 TYR 77 154.854 8.051 16.106 625 HD1 TYR 77 HD1 TYR 77 152.313 6.363 14.542 626 HD2 TYR 77 HD2 TYR 77 154.148 10.199 14.557 627 HE1 TYR 77 HE1 TYR 77 150.234 7.353 13.672 628 HE2 TYR 77 HE2 TYR 77 152.075 11.202 13.690 629 HH TYR 77 HH TYR 77 149.554 9.381 12.395 630 H LYS 78 HN LYS 78 158.118 6.670 14.477 631 HA LYS 78 HA LYS 78 159.098 8.019 16.749 632 1HB LYS 78 HB2 LYS 78 159.952 5.916 15.119 633 2HB LYS 78 HB1 LYS 78 161.197 7.144 14.929 634 1HG LYS 78 HG2 LYS 78 160.283 5.817 17.466 635 2HG LYS 78 HG1 LYS 78 161.869 5.725 16.700 636 1HD LYS 78 HD2 LYS 78 162.540 7.466 17.906 637 2HD LYS 78 HD1 LYS 78 161.299 8.463 17.149 638 1HE LYS 78 HE2 LYS 78 159.709 7.399 18.880 639 2HE LYS 78 HE1 LYS 78 161.186 6.945 19.730 640 1HZ LYS 78 HZ1 LYS 78 161.590 9.058 20.336 641 2HZ LYS 78 HZ2 LYS 78 159.927 9.260 20.092 642 3HZ LYS 78 HZ3 LYS 78 161.020 9.717 18.884 643 H THR 79 HN THR 79 159.044 8.678 13.373 644 HA THR 79 HA THR 79 159.929 11.409 13.813 645 HB THR 79 HB THR 79 161.251 11.117 11.560 646 HG1 THR 79 HG1 THR 79 160.681 8.927 11.269 647 1HG2 THR 79 HG21 THR 79 162.059 10.945 14.291 648 2HG2 THR 79 HG22 THR 79 162.931 11.600 12.904 649 3HG2 THR 79 HG23 THR 79 163.069 9.887 13.304 650 H ARG 80 HN ARG 80 157.512 9.684 13.102 651 HA ARG 80 HA ARG 80 155.594 9.964 11.932 652 1HB ARG 80 HB2 ARG 80 156.647 12.195 10.276 653 2HB ARG 80 HB1 ARG 80 155.054 11.974 10.982 654 1HG ARG 80 HG2 ARG 80 156.729 12.247 13.176 655 2HG ARG 80 HG1 ARG 80 157.348 13.413 12.005 656 1HD ARG 80 HD2 ARG 80 154.411 13.251 12.504 657 2HD ARG 80 HD1 ARG 80 155.440 14.080 13.671 658 HE ARG 80 HE ARG 80 154.726 14.980 11.034 659 1HH1 ARG 80 HH11 ARG 80 157.047 15.248 13.626 660 2HH1 ARG 80 HH12 ARG 80 157.580 16.826 13.152 661 1HH2 ARG 80 HH21 ARG 80 155.427 17.056 10.410 662 2HH2 ARG 80 HH22 ARG 80 156.662 17.851 11.327 663 H GLY 81 HN GLY 81 157.355 8.090 11.090 664 1HA GLY 81 HA2 GLY 81 158.207 8.189 8.447 665 2HA GLY 81 HA1 GLY 81 157.752 6.720 9.294 666 H ARG 82 HN ARG 82 157.251 6.654 6.741 667 HA ARG 82 HA ARG 82 154.660 5.976 6.393 668 1HB ARG 82 HB2 ARG 82 154.814 8.819 6.578 669 2HB ARG 82 HB1 ARG 82 154.419 8.415 4.914 670 1HG ARG 82 HG2 ARG 82 152.711 6.778 6.196 671 2HG ARG 82 HG1 ARG 82 152.830 8.089 7.371 672 1HD ARG 82 HD2 ARG 82 152.448 8.837 4.528 673 2HD ARG 82 HD1 ARG 82 151.075 8.119 5.369 674 HE ARG 82 HE ARG 82 151.889 10.036 7.081 675 1HH1 ARG 82 HH11 ARG 82 151.140 10.076 3.673 676 2HH1 ARG 82 HH12 ARG 82 150.604 11.722 3.683 677 1HH2 ARG 82 HH21 ARG 82 151.186 12.200 7.096 678 2HH2 ARG 82 HH22 ARG 82 150.632 12.929 5.625 679 H LYS 83 HN LYS 83 156.024 4.535 5.258 680 HA LYS 83 HA LYS 83 157.424 5.387 2.935 681 1HB LYS 83 HB2 LYS 83 157.218 2.941 4.542 682 2HB LYS 83 HB1 LYS 83 157.530 2.683 2.831 683 1HG LYS 83 HG2 LYS 83 159.189 4.761 4.042 684 2HG LYS 83 HG1 LYS 83 159.423 3.152 4.729 685 1HD LYS 83 HD2 LYS 83 159.397 2.543 2.103 686 2HD LYS 83 HD1 LYS 83 160.058 4.178 2.032 687 1HE LYS 83 HE2 LYS 83 161.710 3.456 3.797 688 2HE LYS 83 HE1 LYS 83 161.145 1.807 3.534 689 1HZ LYS 83 HZ1 LYS 83 161.662 2.563 1.035 690 2HZ LYS 83 HZ2 LYS 83 162.797 1.799 2.029 691 3HZ LYS 83 HZ3 LYS 83 162.821 3.482 1.858 692 H LEU 84 HN LEU 84 155.685 6.179 1.612 693 HA LEU 84 HA LEU 84 153.883 4.126 0.543 694 1HB LEU 84 HB2 LEU 84 153.850 6.985 -0.346 695 2HB LEU 84 HB1 LEU 84 152.528 5.837 -0.273 696 HG LEU 84 HG LEU 84 153.059 6.054 2.356 697 1HD1 LEU 84 HD11 LEU 84 154.764 7.928 1.420 698 2HD1 LEU 84 HD12 LEU 84 154.013 7.980 3.015 699 3HD1 LEU 84 HD13 LEU 84 153.318 8.904 1.683 700 1HD2 LEU 84 HD21 LEU 84 150.900 6.382 1.146 701 2HD2 LEU 84 HD22 LEU 84 151.382 8.052 0.849 702 3HD2 LEU 84 HD23 LEU 84 151.148 7.484 2.502 703 H LEU 85 HN LEU 85 154.820 2.950 -1.058 704 HA LEU 85 HA LEU 85 155.921 4.338 -3.339 705 1HB LEU 85 HB2 LEU 85 158.030 2.798 -3.076 706 2HB LEU 85 HB1 LEU 85 157.947 4.370 -2.305 707 HG LEU 85 HG LEU 85 156.898 2.187 -0.647 708 1HD1 LEU 85 HD11 LEU 85 159.858 2.265 -1.243 709 2HD1 LEU 85 HD12 LEU 85 158.747 1.048 -1.871 710 3HD1 LEU 85 HD13 LEU 85 159.017 1.182 -0.134 711 1HD2 LEU 85 HD21 LEU 85 159.151 3.998 0.094 712 2HD2 LEU 85 HD22 LEU 85 157.789 3.435 1.060 713 3HD2 LEU 85 HD23 LEU 85 157.550 4.694 -0.151 714 H ARG 86 HN ARG 86 156.366 1.075 -1.977 715 HA ARG 86 HA ARG 86 156.550 -0.587 -3.922 716 1HB ARG 86 HB2 ARG 86 155.164 -0.746 -1.438 717 2HB ARG 86 HB1 ARG 86 154.248 -1.646 -2.640 718 1HG ARG 86 HG2 ARG 86 155.628 -3.310 -2.009 719 2HG ARG 86 HG1 ARG 86 156.701 -2.560 -3.192 720 1HD ARG 86 HD2 ARG 86 157.195 -1.123 -0.896 721 2HD ARG 86 HD1 ARG 86 156.954 -2.763 -0.296 722 HE ARG 86 HE ARG 86 159.195 -1.790 -1.759 723 1HH1 ARG 86 HH11 ARG 86 157.225 -4.626 -1.240 724 2HH1 ARG 86 HH12 ARG 86 158.488 -5.733 -1.662 725 1HH2 ARG 86 HH21 ARG 86 160.856 -3.246 -2.315 726 2HH2 ARG 86 HH22 ARG 86 160.549 -4.949 -2.274 727 H PHE 87 HN PHE 87 155.709 -1.214 -5.770 728 HA PHE 87 HA PHE 87 152.969 -1.070 -6.474 729 1HB PHE 87 HB2 PHE 87 154.360 1.357 -6.756 730 2HB PHE 87 HB1 PHE 87 154.249 0.694 -8.382 731 HD1 PHE 87 HD1 PHE 87 152.370 1.981 -5.523 732 HD2 PHE 87 HD2 PHE 87 152.124 0.462 -9.490 733 HE1 PHE 87 HE1 PHE 87 150.056 2.796 -5.686 734 HE2 PHE 87 HE2 PHE 87 149.808 1.276 -9.661 735 HZ PHE 87 HZ PHE 87 148.772 2.443 -7.758 736 H ASN 88 HN ASN 88 153.834 -3.278 -6.812 737 HA ASN 88 HA ASN 88 155.252 -3.520 -9.383 738 1HB ASN 88 HB2 ASN 88 155.768 -4.711 -6.847 739 2HB ASN 88 HB1 ASN 88 155.288 -5.991 -7.956 740 1HD2 ASN 88 HD21 ASN 88 157.856 -5.625 -6.795 741 2HD2 ASN 88 HD22 ASN 88 158.974 -5.360 -8.086 742 H GLY 89 HN GLY 89 154.588 -5.079 -10.873 743 1HA GLY 89 HA2 GLY 89 152.574 -6.954 -10.598 744 2HA GLY 89 HA1 GLY 89 151.773 -5.453 -11.042 745 HA PRO 90 HA PRO 90 154.654 -6.419 -14.792 746 1HB PRO 90 HB2 PRO 90 155.790 -9.066 -14.240 747 2HB PRO 90 HB1 PRO 90 156.607 -7.576 -14.720 748 1HG PRO 90 HG2 PRO 90 156.853 -8.614 -12.244 749 2HG PRO 90 HG1 PRO 90 156.876 -6.866 -12.546 750 1HD PRO 90 HD2 PRO 90 154.642 -8.587 -11.532 751 2HD PRO 90 HD1 PRO 90 155.150 -6.971 -10.998 752 H VAL 91 HN VAL 91 154.010 -9.735 -13.657 753 HA VAL 91 HA VAL 91 151.750 -9.939 -15.489 754 HB VAL 91 HB VAL 91 153.694 -10.640 -16.826 755 1HG1 VAL 91 HG11 VAL 91 154.820 -12.796 -16.200 756 2HG1 VAL 91 HG12 VAL 91 154.073 -12.644 -14.611 757 3HG1 VAL 91 HG13 VAL 91 155.213 -11.420 -15.171 758 1HG2 VAL 91 HG21 VAL 91 152.000 -11.806 -17.728 759 2HG2 VAL 91 HG22 VAL 91 151.431 -12.383 -16.162 760 3HG2 VAL 91 HG23 VAL 91 152.774 -13.197 -16.967 Start of MODEL 3 1 1H GLY 1 HT1 GLY 1 152.302 -3.954 18.651 2 2H GLY 1 HT2 GLY 1 152.231 -5.642 18.575 3 3H GLY 1 HT3 GLY 1 150.840 -4.755 18.946 4 1HA GLY 1 HA1 GLY 1 150.903 -3.734 16.729 5 2HA GLY 1 HA2 GLY 1 152.287 -4.750 16.353 6 H GLU 2 HN GLU 2 149.269 -4.481 15.543 7 HA GLU 2 HA GLU 2 148.948 -7.122 14.668 8 1HB GLU 2 HB2 GLU 2 148.502 -7.290 17.220 9 2HB GLU 2 HB1 GLU 2 146.971 -6.510 16.844 10 1HG GLU 2 HG2 GLU 2 146.680 -8.386 15.114 11 2HG GLU 2 HG1 GLU 2 147.967 -9.201 16.003 12 H TRP 3 HN TRP 3 147.115 -7.396 13.345 13 HA TRP 3 HA TRP 3 144.914 -5.712 13.173 14 1HB TRP 3 HB2 TRP 3 147.124 -4.286 12.406 15 2HB TRP 3 HB1 TRP 3 146.549 -4.908 10.863 16 HD1 TRP 3 HD1 TRP 3 145.389 -2.876 9.791 17 HE1 TRP 3 HE1 TRP 3 143.514 -1.260 10.495 18 HE3 TRP 3 HE3 TRP 3 144.807 -4.371 14.646 19 HZ2 TRP 3 HZ2 TRP 3 141.991 -0.694 12.802 20 HZ3 TRP 3 HZ3 TRP 3 143.121 -3.239 16.034 21 HH2 TRP 3 HH2 TRP 3 141.742 -1.439 15.130 22 H GLU 4 HN GLU 4 147.166 -6.823 10.639 23 HA GLU 4 HA GLU 4 146.910 -8.283 8.913 24 1HB GLU 4 HB2 GLU 4 145.498 -9.534 11.184 25 2HB GLU 4 HB1 GLU 4 145.071 -10.162 9.598 26 1HG GLU 4 HG2 GLU 4 147.243 -10.895 9.171 27 2HG GLU 4 HG1 GLU 4 147.929 -9.892 10.446 28 H ILE 5 HN ILE 5 145.151 -9.373 7.463 29 HA ILE 5 HA ILE 5 143.639 -7.423 6.264 30 HB ILE 5 HB ILE 5 144.189 -9.576 5.206 31 1HG1 ILE 5 HG12 ILE 5 141.790 -10.002 4.274 32 2HG1 ILE 5 HG11 ILE 5 141.341 -8.625 5.274 33 1HG2 ILE 5 HG21 ILE 5 141.876 -10.917 6.489 34 2HG2 ILE 5 HG22 ILE 5 143.369 -10.789 7.416 35 3HG2 ILE 5 HG23 ILE 5 143.371 -11.598 5.849 36 1HD1 ILE 5 HD11 ILE 5 143.688 -8.152 3.608 37 2HD1 ILE 5 HD12 ILE 5 142.250 -7.163 3.859 38 3HD1 ILE 5 HD13 ILE 5 142.214 -8.493 2.702 39 H ILE 6 HN ILE 6 141.530 -6.724 6.364 40 HA ILE 6 HA ILE 6 139.876 -7.792 8.554 41 HB ILE 6 HB ILE 6 140.020 -4.870 7.825 42 1HG1 ILE 6 HG12 ILE 6 141.307 -6.306 10.157 43 2HG1 ILE 6 HG11 ILE 6 142.164 -5.629 8.776 44 1HG2 ILE 6 HG21 ILE 6 139.014 -4.902 10.284 45 2HG2 ILE 6 HG22 ILE 6 138.470 -6.494 9.758 46 3HG2 ILE 6 HG23 ILE 6 138.000 -5.058 8.849 47 1HD1 ILE 6 HD11 ILE 6 141.874 -3.473 9.485 48 2HD1 ILE 6 HD12 ILE 6 142.000 -4.322 11.027 49 3HD1 ILE 6 HD13 ILE 6 140.418 -3.854 10.404 50 H GLU 7 HN GLU 7 139.541 -5.363 5.959 51 HA GLU 7 HA GLU 7 137.020 -6.676 5.194 52 1HB GLU 7 HB2 GLU 7 137.871 -3.848 4.566 53 2HB GLU 7 HB1 GLU 7 136.280 -4.557 4.323 54 1HG GLU 7 HG2 GLU 7 137.123 -4.782 7.075 55 2HG GLU 7 HG1 GLU 7 137.152 -3.109 6.522 56 H ILE 8 HN ILE 8 136.461 -6.270 2.806 57 HA ILE 8 HA ILE 8 138.867 -6.587 1.139 58 HB ILE 8 HB ILE 8 136.329 -8.177 0.762 59 1HG1 ILE 8 HG12 ILE 8 138.898 -9.434 1.623 60 2HG1 ILE 8 HG11 ILE 8 137.922 -8.623 2.842 61 1HG2 ILE 8 HG21 ILE 8 138.183 -9.531 -0.586 62 2HG2 ILE 8 HG22 ILE 8 138.886 -7.919 -0.708 63 3HG2 ILE 8 HG23 ILE 8 137.256 -8.216 -1.309 64 1HD1 ILE 8 HD11 ILE 8 137.156 -10.776 2.987 65 2HD1 ILE 8 HD12 ILE 8 137.321 -11.066 1.255 66 3HD1 ILE 8 HD13 ILE 8 135.996 -10.073 1.859 67 H GLY 9 HN GLY 9 136.328 -4.647 1.718 68 1HA GLY 9 HA2 GLY 9 135.668 -4.170 -1.104 69 2HA GLY 9 HA1 GLY 9 134.782 -3.543 0.277 70 HA PRO 10 HA PRO 10 136.810 0.334 -0.287 71 1HB PRO 10 HB2 PRO 10 136.905 1.222 2.302 72 2HB PRO 10 HB1 PRO 10 135.449 1.265 1.298 73 1HG PRO 10 HG2 PRO 10 136.258 -0.726 3.381 74 2HG PRO 10 HG1 PRO 10 134.665 -0.005 3.077 75 1HD PRO 10 HD2 PRO 10 135.280 -2.489 2.248 76 2HD PRO 10 HD1 PRO 10 134.222 -1.422 1.303 77 H PHE 11 HN PHE 11 137.996 -1.754 2.305 78 HA PHE 11 HA PHE 11 140.403 -0.610 2.913 79 1HB PHE 11 HB2 PHE 11 139.628 -2.533 4.122 80 2HB PHE 11 HB1 PHE 11 139.679 -3.532 2.675 81 HD1 PHE 11 HD1 PHE 11 141.546 -2.200 5.459 82 HD2 PHE 11 HD2 PHE 11 141.873 -4.181 1.707 83 HE1 PHE 11 HE1 PHE 11 143.835 -2.895 6.030 84 HE2 PHE 11 HE2 PHE 11 144.163 -4.881 2.272 85 HZ PHE 11 HZ PHE 11 145.146 -4.239 4.436 86 H THR 12 HN THR 12 139.522 -2.324 0.012 87 HA THR 12 HA THR 12 142.268 -2.491 -0.911 88 HB THR 12 HB THR 12 140.605 -3.211 -3.013 89 HG1 THR 12 HG1 THR 12 138.972 -4.381 -2.155 90 1HG2 THR 12 HG21 THR 12 141.008 -5.590 -2.078 91 2HG2 THR 12 HG22 THR 12 142.039 -4.760 -0.912 92 3HG2 THR 12 HG23 THR 12 142.373 -4.627 -2.638 93 H GLN 13 HN GLN 13 139.265 -1.235 -2.379 94 HA GLN 13 HA GLN 13 140.383 0.269 -4.384 95 1HB GLN 13 HB2 GLN 13 138.345 1.565 -4.428 96 2HB GLN 13 HB1 GLN 13 137.952 -0.113 -4.078 97 1HG GLN 13 HG2 GLN 13 136.884 0.495 -2.248 98 2HG GLN 13 HG1 GLN 13 138.353 1.234 -1.612 99 1HE2 GLN 13 HE21 GLN 13 138.039 3.240 -1.005 100 2HE2 GLN 13 HE22 GLN 13 137.005 4.394 -1.770 101 H ASN 14 HN ASN 14 140.282 0.944 -0.982 102 HA ASN 14 HA ASN 14 140.689 3.662 -0.882 103 1HB ASN 14 HB2 ASN 14 141.180 1.375 0.868 104 2HB ASN 14 HB1 ASN 14 142.345 2.670 1.118 105 1HD2 ASN 14 HD21 ASN 14 141.566 3.214 3.126 106 2HD2 ASN 14 HD22 ASN 14 140.038 3.986 3.364 107 H LEU 15 HN LEU 15 143.309 1.235 -0.718 108 HA LEU 15 HA LEU 15 145.421 2.994 -1.056 109 1HB LEU 15 HB2 LEU 15 145.323 0.378 -0.686 110 2HB LEU 15 HB1 LEU 15 145.540 0.344 -2.424 111 HG LEU 15 HG LEU 15 147.718 0.187 -1.722 112 1HD1 LEU 15 HD11 LEU 15 148.833 2.354 -1.939 113 2HD1 LEU 15 HD12 LEU 15 147.279 3.170 -1.758 114 3HD1 LEU 15 HD13 LEU 15 147.578 2.141 -3.159 115 1HD2 LEU 15 HD21 LEU 15 147.251 0.284 0.649 116 2HD2 LEU 15 HD22 LEU 15 147.044 2.033 0.560 117 3HD2 LEU 15 HD23 LEU 15 148.626 1.317 0.260 118 H GLY 16 HN GLY 16 143.131 1.748 -3.355 119 1HA GLY 16 HA2 GLY 16 144.461 2.294 -5.758 120 2HA GLY 16 HA1 GLY 16 142.714 2.312 -5.543 121 H LYS 17 HN LYS 17 142.434 4.384 -3.710 122 HA LYS 17 HA LYS 17 142.530 6.647 -5.404 123 1HB LYS 17 HB2 LYS 17 141.100 6.107 -3.237 124 2HB LYS 17 HB1 LYS 17 142.406 6.968 -2.434 125 1HG LYS 17 HG2 LYS 17 141.679 8.545 -4.638 126 2HG LYS 17 HG1 LYS 17 140.172 8.005 -3.894 127 1HD LYS 17 HD2 LYS 17 141.674 8.695 -1.715 128 2HD LYS 17 HD1 LYS 17 142.190 9.885 -2.911 129 1HE LYS 17 HE2 LYS 17 140.287 10.681 -1.581 130 2HE LYS 17 HE1 LYS 17 139.887 10.539 -3.292 131 1HZ LYS 17 HZ1 LYS 17 138.416 8.902 -2.903 132 2HZ LYS 17 HZ2 LYS 17 138.371 9.556 -1.344 133 3HZ LYS 17 HZ3 LYS 17 139.331 8.200 -1.665 134 H PHE 18 HN PHE 18 144.444 5.756 -2.547 135 HA PHE 18 HA PHE 18 146.226 7.948 -2.753 136 1HB PHE 18 HB2 PHE 18 146.113 5.428 -1.178 137 2HB PHE 18 HB1 PHE 18 147.684 6.209 -1.333 138 HD1 PHE 18 HD1 PHE 18 144.455 6.282 0.257 139 HD2 PHE 18 HD2 PHE 18 147.967 8.552 -0.527 140 HE1 PHE 18 HE1 PHE 18 143.854 7.831 2.072 141 HE2 PHE 18 HE2 PHE 18 147.374 10.104 1.287 142 HZ PHE 18 HZ PHE 18 145.315 9.745 2.589 143 H ALA 19 HN ALA 19 145.891 5.111 -4.536 144 HA ALA 19 HA ALA 19 148.560 4.522 -5.209 145 1HB ALA 19 HB1 ALA 19 146.142 3.392 -5.774 146 2HB ALA 19 HB2 ALA 19 147.670 2.938 -6.531 147 3HB ALA 19 HB3 ALA 19 146.591 4.077 -7.336 148 H VAL 20 HN VAL 20 146.096 6.333 -7.054 149 HA VAL 20 HA VAL 20 147.854 7.277 -9.033 150 HB VAL 20 HB VAL 20 145.426 7.363 -9.320 151 1HG1 VAL 20 HG11 VAL 20 144.654 7.885 -7.136 152 2HG1 VAL 20 HG12 VAL 20 144.157 9.212 -8.186 153 3HG1 VAL 20 HG13 VAL 20 145.543 9.408 -7.115 154 1HG2 VAL 20 HG21 VAL 20 146.689 8.826 -10.725 155 2HG2 VAL 20 HG22 VAL 20 146.817 10.032 -9.445 156 3HG2 VAL 20 HG23 VAL 20 145.254 9.700 -10.191 157 H ASP 21 HN ASP 21 147.019 8.481 -5.847 158 HA ASP 21 HA ASP 21 148.461 10.958 -6.184 159 1HB ASP 21 HB2 ASP 21 147.102 9.622 -3.854 160 2HB ASP 21 HB1 ASP 21 148.082 11.068 -3.635 161 H GLU 22 HN GLU 22 149.294 7.753 -5.490 162 HA GLU 22 HA GLU 22 151.720 8.484 -4.026 163 1HB GLU 22 HB2 GLU 22 150.581 6.662 -3.016 164 2HB GLU 22 HB1 GLU 22 150.334 5.862 -4.561 165 1HG GLU 22 HG2 GLU 22 152.790 5.508 -4.700 166 2HG GLU 22 HG1 GLU 22 152.931 6.171 -3.073 167 H GLU 23 HN GLU 23 150.612 7.224 -7.095 168 HA GLU 23 HA GLU 23 152.904 6.139 -8.162 169 1HB GLU 23 HB2 GLU 23 150.519 7.493 -9.278 170 2HB GLU 23 HB1 GLU 23 151.909 7.375 -10.347 171 1HG GLU 23 HG2 GLU 23 151.595 4.844 -9.167 172 2HG GLU 23 HG1 GLU 23 149.987 5.380 -9.649 173 H ASN 24 HN ASN 24 152.131 9.489 -7.603 174 HA ASN 24 HA ASN 24 154.268 10.541 -9.201 175 1HB ASN 24 HB2 ASN 24 152.255 11.664 -7.309 176 2HB ASN 24 HB1 ASN 24 153.690 12.623 -7.653 177 1HD2 ASN 24 HD21 ASN 24 151.632 10.513 -9.625 178 2HD2 ASN 24 HD22 ASN 24 151.293 11.693 -10.839 179 H LYS 25 HN LYS 25 153.967 9.343 -5.968 180 HA LYS 25 HA LYS 25 156.216 10.710 -4.873 181 1HB LYS 25 HB2 LYS 25 154.339 8.625 -4.001 182 2HB LYS 25 HB1 LYS 25 155.956 8.457 -3.332 183 1HG LYS 25 HG2 LYS 25 155.776 10.890 -2.650 184 2HG LYS 25 HG1 LYS 25 154.060 10.767 -3.050 185 1HD LYS 25 HD2 LYS 25 153.749 9.030 -1.418 186 2HD LYS 25 HD1 LYS 25 155.484 8.954 -1.105 187 1HE LYS 25 HE2 LYS 25 155.088 11.537 -0.585 188 2HE LYS 25 HE1 LYS 25 153.469 10.942 -0.217 189 1HZ LYS 25 HZ1 LYS 25 155.971 10.501 1.190 190 2HZ LYS 25 HZ2 LYS 25 154.951 9.157 1.076 191 3HZ LYS 25 HZ3 LYS 25 154.390 10.585 1.788 192 H ILE 26 HN ILE 26 156.121 7.179 -4.856 193 HA ILE 26 HA ILE 26 158.821 6.771 -5.081 194 HB ILE 26 HB ILE 26 157.195 5.006 -4.534 195 1HG1 ILE 26 HG12 ILE 26 159.031 4.357 -6.848 196 2HG1 ILE 26 HG11 ILE 26 159.474 4.380 -5.144 197 1HG2 ILE 26 HG21 ILE 26 156.590 5.061 -7.483 198 2HG2 ILE 26 HG22 ILE 26 155.486 5.445 -6.163 199 3HG2 ILE 26 HG23 ILE 26 156.069 3.795 -6.374 200 1HD1 ILE 26 HD11 ILE 26 158.551 2.214 -6.645 201 2HD1 ILE 26 HD12 ILE 26 157.237 2.639 -5.548 202 3HD1 ILE 26 HD13 ILE 26 158.838 2.279 -4.906 203 H GLY 27 HN GLY 27 156.486 7.175 -7.706 204 1HA GLY 27 HA2 GLY 27 158.657 6.933 -9.667 205 2HA GLY 27 HA1 GLY 27 156.940 6.892 -10.031 206 H GLN 28 HN GLN 28 158.953 8.495 -11.319 207 HA GLN 28 HA GLN 28 158.743 11.189 -10.374 208 1HB GLN 28 HB2 GLN 28 159.667 10.072 -13.028 209 2HB GLN 28 HB1 GLN 28 159.794 11.763 -12.564 210 1HG GLN 28 HG2 GLN 28 161.885 11.045 -12.032 211 2HG GLN 28 HG1 GLN 28 161.066 10.767 -10.496 212 1HE2 GLN 28 HE21 GLN 28 161.633 9.091 -13.576 213 2HE2 GLN 28 HE22 GLN 28 161.977 7.552 -12.870 214 H TYR 29 HN TYR 29 157.177 9.286 -12.905 215 HA TYR 29 HA TYR 29 155.120 11.382 -13.103 216 1HB TYR 29 HB2 TYR 29 156.884 10.538 -15.160 217 2HB TYR 29 HB1 TYR 29 155.285 9.927 -15.568 218 HD1 TYR 29 HD1 TYR 29 153.570 11.386 -16.322 219 HD2 TYR 29 HD2 TYR 29 157.214 12.994 -14.824 220 HE1 TYR 29 HE1 TYR 29 152.933 13.605 -17.169 221 HE2 TYR 29 HE2 TYR 29 156.586 15.217 -15.667 222 HH TYR 29 HH TYR 29 154.675 15.886 -17.847 223 H GLY 30 HN GLY 30 153.260 10.600 -12.371 224 1HA GLY 30 HA2 GLY 30 152.802 7.725 -12.327 225 2HA GLY 30 HA1 GLY 30 151.813 8.951 -11.550 226 H ARG 31 HN ARG 31 150.619 6.891 -12.885 227 HA ARG 31 HA ARG 31 149.340 8.322 -15.095 228 1HB ARG 31 HB2 ARG 31 151.132 6.359 -15.649 229 2HB ARG 31 HB1 ARG 31 149.653 5.416 -15.520 230 1HG ARG 31 HG2 ARG 31 148.833 7.479 -17.084 231 2HG ARG 31 HG1 ARG 31 150.516 7.302 -17.587 232 1HD ARG 31 HD2 ARG 31 149.057 5.933 -18.968 233 2HD ARG 31 HD1 ARG 31 150.137 4.922 -18.009 234 HE ARG 31 HE ARG 31 147.938 5.020 -16.473 235 1HH1 ARG 31 HH11 ARG 31 148.386 4.310 -19.862 236 2HH1 ARG 31 HH12 ARG 31 147.014 3.257 -19.949 237 1HH2 ARG 31 HH21 ARG 31 146.136 3.639 -16.588 238 2HH2 ARG 31 HH22 ARG 31 145.736 2.875 -18.091 239 H LEU 32 HN LEU 32 147.384 6.806 -15.856 240 HA LEU 32 HA LEU 32 145.668 6.642 -13.575 241 1HB LEU 32 HB2 LEU 32 145.397 6.496 -16.489 242 2HB LEU 32 HB1 LEU 32 144.274 5.465 -15.626 243 HG LEU 32 HG LEU 32 144.584 8.422 -15.116 244 1HD1 LEU 32 HD11 LEU 32 142.171 7.297 -16.415 245 2HD1 LEU 32 HD12 LEU 32 143.620 7.480 -17.405 246 3HD1 LEU 32 HD13 LEU 32 142.923 8.883 -16.593 247 1HD2 LEU 32 HD21 LEU 32 142.282 6.672 -14.330 248 2HD2 LEU 32 HD22 LEU 32 142.739 8.255 -13.703 249 3HD2 LEU 32 HD23 LEU 32 143.703 6.835 -13.299 250 H THR 33 HN THR 33 145.017 4.910 -12.440 251 HA THR 33 HA THR 33 145.380 2.222 -13.445 252 HB THR 33 HB THR 33 147.589 2.806 -12.465 253 HG1 THR 33 HG1 THR 33 147.762 0.849 -11.688 254 1HG2 THR 33 HG21 THR 33 147.807 3.862 -10.544 255 2HG2 THR 33 HG22 THR 33 146.973 2.550 -9.713 256 3HG2 THR 33 HG23 THR 33 146.054 3.904 -10.368 257 H PHE 34 HN PHE 34 143.095 3.753 -12.757 258 HA PHE 34 HA PHE 34 142.205 2.531 -10.239 259 1HB PHE 34 HB2 PHE 34 141.992 5.120 -11.053 260 2HB PHE 34 HB1 PHE 34 140.432 4.481 -11.562 261 HD1 PHE 34 HD1 PHE 34 139.683 2.630 -9.514 262 HD2 PHE 34 HD2 PHE 34 141.713 6.351 -9.141 263 HE1 PHE 34 HE1 PHE 34 138.842 2.855 -7.212 264 HE2 PHE 34 HE2 PHE 34 140.879 6.582 -6.839 265 HZ PHE 34 HZ PHE 34 139.441 4.832 -5.870 266 H ASN 35 HN ASN 35 142.388 1.006 -12.725 267 HA ASN 35 HA ASN 35 139.764 0.743 -13.819 268 1HB ASN 35 HB2 ASN 35 142.186 -0.011 -14.696 269 2HB ASN 35 HB1 ASN 35 141.648 -1.540 -14.009 270 1HD2 ASN 35 HD21 ASN 35 140.013 -2.664 -14.975 271 2HD2 ASN 35 HD22 ASN 35 139.347 -2.236 -16.510 272 H LYS 36 HN LYS 36 141.671 -1.259 -11.563 273 HA LYS 36 HA LYS 36 139.302 -1.990 -10.123 274 1HB LYS 36 HB2 LYS 36 139.764 -3.556 -12.297 275 2HB LYS 36 HB1 LYS 36 140.673 -4.425 -11.070 276 1HG LYS 36 HG2 LYS 36 138.591 -4.367 -9.650 277 2HG LYS 36 HG1 LYS 36 137.739 -3.774 -11.079 278 1HD LYS 36 HD2 LYS 36 138.044 -5.768 -12.239 279 2HD LYS 36 HD1 LYS 36 139.392 -6.269 -11.217 280 1HE LYS 36 HE2 LYS 36 137.202 -7.494 -10.872 281 2HE LYS 36 HE1 LYS 36 137.963 -6.825 -9.428 282 1HZ LYS 36 HZ1 LYS 36 135.390 -6.429 -10.186 283 2HZ LYS 36 HZ2 LYS 36 136.140 -5.001 -10.694 284 3HZ LYS 36 HZ3 LYS 36 136.240 -5.478 -9.074 285 H VAL 37 HN VAL 37 140.578 -1.002 -8.472 286 HA VAL 37 HA VAL 37 143.061 -2.255 -7.668 287 HB VAL 37 HB VAL 37 141.504 -0.230 -6.071 288 1HG1 VAL 37 HG11 VAL 37 144.314 0.157 -6.011 289 2HG1 VAL 37 HG12 VAL 37 143.989 -1.552 -5.722 290 3HG1 VAL 37 HG13 VAL 37 143.239 -0.327 -4.700 291 1HG2 VAL 37 HG21 VAL 37 141.657 1.121 -7.857 292 2HG2 VAL 37 HG22 VAL 37 142.884 0.123 -8.637 293 3HG2 VAL 37 HG23 VAL 37 143.348 1.270 -7.380 294 H ILE 38 HN ILE 38 142.884 -4.246 -6.708 295 HA ILE 38 HA ILE 38 141.304 -4.389 -4.308 296 HB ILE 38 HB ILE 38 140.110 -6.475 -5.007 297 1HG1 ILE 38 HG12 ILE 38 140.506 -5.661 -7.853 298 2HG1 ILE 38 HG11 ILE 38 141.773 -6.611 -7.082 299 1HG2 ILE 38 HG21 ILE 38 139.156 -4.121 -4.989 300 2HG2 ILE 38 HG22 ILE 38 138.304 -5.321 -5.959 301 3HG2 ILE 38 HG23 ILE 38 139.359 -4.144 -6.741 302 1HD1 ILE 38 HD11 ILE 38 138.975 -7.368 -7.748 303 2HD1 ILE 38 HD12 ILE 38 139.790 -8.161 -6.400 304 3HD1 ILE 38 HD13 ILE 38 140.479 -8.247 -8.022 305 H LYS 39 HN LYS 39 141.545 -7.534 -5.164 306 HA LYS 39 HA LYS 39 142.970 -9.256 -4.796 307 1HB LYS 39 HB2 LYS 39 144.806 -7.070 -5.225 308 2HB LYS 39 HB1 LYS 39 145.415 -8.147 -3.977 309 1HG LYS 39 HG2 LYS 39 146.300 -9.116 -5.843 310 2HG LYS 39 HG1 LYS 39 144.781 -10.005 -5.716 311 1HD LYS 39 HD2 LYS 39 143.843 -8.932 -7.516 312 2HD LYS 39 HD1 LYS 39 144.833 -7.486 -7.304 313 1HE LYS 39 HE2 LYS 39 145.307 -9.054 -9.306 314 2HE LYS 39 HE1 LYS 39 146.662 -8.425 -8.371 315 1HZ LYS 39 HZ1 LYS 39 145.545 -10.965 -7.488 316 2HZ LYS 39 HZ2 LYS 39 147.157 -10.457 -7.557 317 3HZ LYS 39 HZ3 LYS 39 146.378 -10.988 -8.961 318 HA PRO 40 HA PRO 40 142.716 -9.995 -0.483 319 1HB PRO 40 HB2 PRO 40 145.144 -11.220 0.092 320 2HB PRO 40 HB1 PRO 40 143.711 -12.035 -0.539 321 1HG PRO 40 HG2 PRO 40 146.128 -11.054 -1.988 322 2HG PRO 40 HG1 PRO 40 145.177 -12.527 -2.253 323 1HD PRO 40 HD2 PRO 40 144.938 -10.399 -3.860 324 2HD PRO 40 HD1 PRO 40 143.533 -11.401 -3.443 325 H CYS 41 HN CYS 41 146.185 -9.312 -0.947 326 HA CYS 41 HA CYS 41 147.591 -7.811 0.031 327 1HB CYS 41 HB2 CYS 41 145.383 -6.017 0.898 328 2HB CYS 41 HB1 CYS 41 146.900 -5.631 0.094 329 HG CYS 41 HG CYS 41 144.281 -6.445 -1.329 330 H MET 42 HN MET 42 147.324 -6.137 2.240 331 HA MET 42 HA MET 42 146.112 -7.357 4.473 332 1HB MET 42 HB2 MET 42 148.513 -8.609 3.633 333 2HB MET 42 HB1 MET 42 148.880 -7.732 5.111 334 1HG MET 42 HG2 MET 42 146.842 -8.857 6.113 335 2HG MET 42 HG1 MET 42 146.853 -9.901 4.693 336 1HE MET 42 HE1 MET 42 149.047 -8.207 7.104 337 2HE MET 42 HE2 MET 42 150.551 -9.115 6.966 338 3HE MET 42 HE3 MET 42 149.401 -9.504 8.244 339 H LYS 43 HN LYS 43 146.691 -6.329 6.498 340 HA LYS 43 HA LYS 43 148.199 -3.817 6.214 341 1HB LYS 43 HB2 LYS 43 145.420 -3.963 6.377 342 2HB LYS 43 HB1 LYS 43 145.924 -3.571 8.015 343 1HG LYS 43 HG2 LYS 43 147.442 -1.858 6.523 344 2HG LYS 43 HG1 LYS 43 145.942 -1.934 5.598 345 1HD LYS 43 HD2 LYS 43 145.149 -0.410 7.026 346 2HD LYS 43 HD1 LYS 43 145.077 -1.713 8.212 347 1HE LYS 43 HE2 LYS 43 147.708 -0.927 8.326 348 2HE LYS 43 HE1 LYS 43 146.858 0.595 8.064 349 1HZ LYS 43 HZ1 LYS 43 146.699 0.492 10.300 350 2HZ LYS 43 HZ2 LYS 43 146.791 -1.196 10.361 351 3HZ LYS 43 HZ3 LYS 43 145.334 -0.443 9.948 352 H LYS 44 HN LYS 44 148.622 -2.838 8.456 353 HA LYS 44 HA LYS 44 148.493 -4.470 10.762 354 1HB LYS 44 HB2 LYS 44 150.899 -4.705 9.041 355 2HB LYS 44 HB1 LYS 44 151.180 -4.563 10.770 356 1HG LYS 44 HG2 LYS 44 149.267 -6.451 10.765 357 2HG LYS 44 HG1 LYS 44 150.037 -6.779 9.211 358 1HD LYS 44 HD2 LYS 44 151.637 -6.441 11.731 359 2HD LYS 44 HD1 LYS 44 150.944 -7.999 11.274 360 1HE LYS 44 HE2 LYS 44 152.121 -7.325 8.956 361 2HE LYS 44 HE1 LYS 44 153.189 -6.489 10.083 362 1HZ LYS 44 HZ1 LYS 44 152.592 -9.384 9.943 363 2HZ LYS 44 HZ2 LYS 44 153.313 -8.680 11.301 364 3HZ LYS 44 HZ3 LYS 44 154.093 -8.618 9.801 365 H THR 45 HN THR 45 150.317 -3.608 12.407 366 HA THR 45 HA THR 45 151.282 -1.025 12.124 367 HB THR 45 HB THR 45 148.968 -0.312 12.065 368 HG1 THR 45 HG1 THR 45 150.161 0.259 14.571 369 1HG2 THR 45 HG21 THR 45 148.056 -0.720 14.676 370 2HG2 THR 45 HG22 THR 45 148.598 -2.292 14.090 371 3HG2 THR 45 HG23 THR 45 147.394 -1.380 13.179 372 H ILE 46 HN ILE 46 152.271 -0.167 14.038 373 HA ILE 46 HA ILE 46 152.291 -1.916 16.380 374 HB ILE 46 HB ILE 46 154.848 -1.760 16.386 375 1HG1 ILE 46 HG12 ILE 46 154.694 -0.139 14.339 376 2HG1 ILE 46 HG11 ILE 46 156.009 -1.305 14.430 377 1HG2 ILE 46 HG21 ILE 46 154.067 -3.900 16.191 378 2HG2 ILE 46 HG22 ILE 46 154.928 -3.730 14.662 379 3HG2 ILE 46 HG23 ILE 46 153.173 -3.559 14.711 380 1HD1 ILE 46 HD11 ILE 46 154.731 -0.987 12.213 381 2HD1 ILE 46 HD12 ILE 46 153.494 -1.986 12.975 382 3HD1 ILE 46 HD13 ILE 46 155.123 -2.618 12.753 383 H TYR 47 HN TYR 47 151.821 -0.540 17.945 384 HA TYR 47 HA TYR 47 153.227 2.043 17.990 385 1HB TYR 47 HB2 TYR 47 151.304 2.877 19.366 386 2HB TYR 47 HB1 TYR 47 150.870 2.446 17.716 387 HD1 TYR 47 HD1 TYR 47 149.782 0.171 17.325 388 HD2 TYR 47 HD2 TYR 47 150.195 1.906 21.188 389 HE1 TYR 47 HE1 TYR 47 148.021 -1.319 18.175 390 HE2 TYR 47 HE2 TYR 47 148.435 0.420 22.049 391 HH TYR 47 HH TYR 47 147.370 -1.672 21.524 392 H GLU 48 HN GLU 48 154.023 2.811 19.979 393 HA GLU 48 HA GLU 48 154.916 0.743 21.733 394 1HB GLU 48 HB2 GLU 48 156.396 2.577 21.206 395 2HB GLU 48 HB1 GLU 48 155.248 3.732 21.868 396 1HG GLU 48 HG2 GLU 48 156.938 3.461 23.486 397 2HG GLU 48 HG1 GLU 48 155.532 2.581 24.083 398 H ASN 49 HN ASN 49 153.608 3.790 22.802 399 HA ASN 49 HA ASN 49 151.261 2.839 24.008 400 1HB ASN 49 HB2 ASN 49 153.371 1.861 25.394 401 2HB ASN 49 HB1 ASN 49 153.144 3.399 26.223 402 1HD2 ASN 49 HD21 ASN 49 150.911 1.035 24.805 403 2HD2 ASN 49 HD22 ASN 49 149.965 0.817 26.235 404 H GLU 50 HN GLU 50 153.965 5.039 24.710 405 HA GLU 50 HA GLU 50 152.051 7.206 25.184 406 1HB GLU 50 HB2 GLU 50 154.958 6.810 25.834 407 2HB GLU 50 HB1 GLU 50 154.262 8.424 25.821 408 1HG GLU 50 HG2 GLU 50 152.773 7.901 27.577 409 2HG GLU 50 HG1 GLU 50 153.110 6.175 27.444 410 H ARG 51 HN ARG 51 152.458 6.177 22.542 411 HA ARG 51 HA ARG 51 152.712 6.917 20.413 412 1HB ARG 51 HB2 ARG 51 152.758 9.524 21.909 413 2HB ARG 51 HB1 ARG 51 152.994 9.477 20.168 414 1HG ARG 51 HG2 ARG 51 150.758 9.764 20.175 415 2HG ARG 51 HG1 ARG 51 150.772 8.007 20.328 416 1HD ARG 51 HD2 ARG 51 150.269 8.073 22.592 417 2HD ARG 51 HD1 ARG 51 150.834 9.732 22.770 418 HE ARG 51 HE ARG 51 148.731 10.439 22.259 419 1HH1 ARG 51 HH11 ARG 51 149.109 7.183 21.058 420 2HH1 ARG 51 HH12 ARG 51 147.459 7.046 20.550 421 1HH2 ARG 51 HH21 ARG 51 146.561 10.258 21.597 422 2HH2 ARG 51 HH22 ARG 51 146.011 8.792 20.857 423 H GLU 52 HN GLU 52 154.905 5.716 21.335 424 HA GLU 52 HA GLU 52 157.182 7.479 20.884 425 1HB GLU 52 HB2 GLU 52 157.202 4.551 21.596 426 2HB GLU 52 HB1 GLU 52 158.571 5.650 21.642 427 1HG GLU 52 HG2 GLU 52 156.994 6.969 23.301 428 2HG GLU 52 HG1 GLU 52 156.300 5.363 23.524 429 H ILE 53 HN ILE 53 155.341 5.102 19.260 430 HA ILE 53 HA ILE 53 156.984 5.461 16.900 431 HB ILE 53 HB ILE 53 158.018 3.504 17.598 432 1HG1 ILE 53 HG12 ILE 53 155.802 2.354 15.910 433 2HG1 ILE 53 HG11 ILE 53 157.012 3.447 15.248 434 1HG2 ILE 53 HG21 ILE 53 155.728 3.084 19.112 435 2HG2 ILE 53 HG22 ILE 53 157.193 2.105 19.093 436 3HG2 ILE 53 HG23 ILE 53 155.840 1.684 18.047 437 1HD1 ILE 53 HD11 ILE 53 157.174 0.670 15.546 438 2HD1 ILE 53 HD12 ILE 53 158.300 1.360 16.714 439 3HD1 ILE 53 HD13 ILE 53 158.437 1.777 15.007 440 H LYS 54 HN LYS 54 154.578 2.994 17.321 441 HA LYS 54 HA LYS 54 152.523 2.650 16.408 442 1HB LYS 54 HB2 LYS 54 151.931 4.740 17.573 443 2HB LYS 54 HB1 LYS 54 152.443 5.656 16.162 444 1HG LYS 54 HG2 LYS 54 150.683 4.733 14.838 445 2HG LYS 54 HG1 LYS 54 150.247 3.602 16.121 446 1HD LYS 54 HD2 LYS 54 150.074 5.977 17.428 447 2HD LYS 54 HD1 LYS 54 149.585 6.448 15.800 448 1HE LYS 54 HE2 LYS 54 147.637 5.343 15.938 449 2HE LYS 54 HE1 LYS 54 148.373 3.955 16.739 450 1HZ LYS 54 HZ1 LYS 54 148.485 5.662 18.719 451 2HZ LYS 54 HZ2 LYS 54 147.095 4.746 18.423 452 3HZ LYS 54 HZ3 LYS 54 147.173 6.353 17.903 453 H GLY 55 HN GLY 55 154.076 1.794 14.729 454 1HA GLY 55 HA2 GLY 55 153.938 3.341 12.234 455 2HA GLY 55 HA1 GLY 55 154.978 1.957 12.518 456 H TYR 56 HN TYR 56 152.242 2.981 10.955 457 HA TYR 56 HA TYR 56 151.102 0.272 10.948 458 1HB TYR 56 HB2 TYR 56 149.086 1.529 9.888 459 2HB TYR 56 HB1 TYR 56 149.353 1.629 11.624 460 HD1 TYR 56 HD1 TYR 56 150.483 3.691 12.554 461 HD2 TYR 56 HD2 TYR 56 149.058 3.469 8.553 462 HE1 TYR 56 HE1 TYR 56 150.505 6.145 12.417 463 HE2 TYR 56 HE2 TYR 56 149.079 5.923 8.403 464 HH TYR 56 HH TYR 56 150.614 7.894 10.710 465 H GLU 57 HN GLU 57 151.213 -0.917 9.184 466 HA GLU 57 HA GLU 57 152.115 0.370 6.700 467 1HB GLU 57 HB2 GLU 57 152.972 -1.814 6.039 468 2HB GLU 57 HB1 GLU 57 153.623 -1.350 7.605 469 1HG GLU 57 HG2 GLU 57 151.476 -2.746 8.403 470 2HG GLU 57 HG1 GLU 57 151.818 -3.561 6.878 471 H TYR 58 HN TYR 58 150.972 0.198 4.863 472 HA TYR 58 HA TYR 58 148.498 -1.406 4.936 473 1HB TYR 58 HB2 TYR 58 148.520 1.294 5.036 474 2HB TYR 58 HB1 TYR 58 148.538 1.064 3.292 475 HD1 TYR 58 HD1 TYR 58 146.402 1.995 5.611 476 HD2 TYR 58 HD2 TYR 58 146.825 -1.256 2.899 477 HE1 TYR 58 HE1 TYR 58 143.965 1.667 5.635 478 HE2 TYR 58 HE2 TYR 58 144.389 -1.595 2.915 479 HH TYR 58 HH TYR 58 142.346 -0.260 3.387 480 H GLN 59 HN GLN 59 148.845 -3.046 3.568 481 HA GLN 59 HA GLN 59 150.245 -2.521 1.041 482 1HB GLN 59 HB2 GLN 59 149.534 -5.219 2.188 483 2HB GLN 59 HB1 GLN 59 150.685 -4.864 0.908 484 1HG GLN 59 HG2 GLN 59 152.285 -4.091 2.373 485 2HG GLN 59 HG1 GLN 59 151.103 -3.720 3.629 486 1HE2 GLN 59 HE21 GLN 59 152.166 -4.853 5.218 487 2HE2 GLN 59 HE22 GLN 59 152.260 -6.578 5.239 488 H LEU 60 HN LEU 60 149.236 -2.725 -0.891 489 HA LEU 60 HA LEU 60 146.663 -4.016 -1.036 490 1HB LEU 60 HB2 LEU 60 146.832 -1.265 -0.724 491 2HB LEU 60 HB1 LEU 60 146.556 -1.486 -2.441 492 HG LEU 60 HG LEU 60 144.483 -1.142 -1.114 493 1HD1 LEU 60 HD11 LEU 60 143.328 -2.342 -2.589 494 2HD1 LEU 60 HD12 LEU 60 144.076 -3.857 -2.090 495 3HD1 LEU 60 HD13 LEU 60 144.906 -2.798 -3.229 496 1HD2 LEU 60 HD21 LEU 60 144.929 -3.907 -0.037 497 2HD2 LEU 60 HD22 LEU 60 143.682 -2.743 0.410 498 3HD2 LEU 60 HD23 LEU 60 145.360 -2.456 0.865 499 H TYR 61 HN TYR 61 145.945 -4.479 -3.224 500 HA TYR 61 HA TYR 61 148.146 -4.339 -5.182 501 1HB TYR 61 HB2 TYR 61 146.500 -6.589 -4.258 502 2HB TYR 61 HB1 TYR 61 146.638 -6.471 -6.008 503 HD1 TYR 61 HD1 TYR 61 148.733 -6.916 -7.113 504 HD2 TYR 61 HD2 TYR 61 148.479 -6.971 -2.867 505 HE1 TYR 61 HE1 TYR 61 150.935 -8.005 -7.001 506 HE2 TYR 61 HE2 TYR 61 150.680 -8.059 -2.743 507 HH TYR 61 HH TYR 61 152.837 -8.128 -5.177 508 H VAL 62 HN VAL 62 147.629 -2.912 -6.694 509 HA VAL 62 HA VAL 62 144.845 -2.345 -7.277 510 HB VAL 62 HB VAL 62 147.289 -1.075 -8.509 511 1HG1 VAL 62 HG11 VAL 62 144.543 -0.829 -9.072 512 2HG1 VAL 62 HG12 VAL 62 145.871 0.153 -9.692 513 3HG1 VAL 62 HG13 VAL 62 145.018 0.646 -8.230 514 1HG2 VAL 62 HG21 VAL 62 147.708 -0.366 -6.417 515 2HG2 VAL 62 HG22 VAL 62 146.085 -0.762 -5.848 516 3HG2 VAL 62 HG23 VAL 62 146.372 0.746 -6.718 517 H TYR 63 HN TYR 63 143.904 -3.822 -8.590 518 HA TYR 63 HA TYR 63 145.366 -4.896 -10.864 519 1HB TYR 63 HB2 TYR 63 143.513 -6.052 -9.306 520 2HB TYR 63 HB1 TYR 63 142.448 -5.401 -10.547 521 HD1 TYR 63 HD1 TYR 63 143.098 -8.358 -9.810 522 HD2 TYR 63 HD2 TYR 63 144.515 -5.725 -12.837 523 HE1 TYR 63 HE1 TYR 63 143.594 -10.289 -11.251 524 HE2 TYR 63 HE2 TYR 63 145.015 -7.648 -14.284 525 HH TYR 63 HH TYR 63 145.098 -10.824 -13.164 526 H ALA 64 HN ALA 64 145.669 -2.796 -11.864 527 HA ALA 64 HA ALA 64 143.283 -1.536 -12.969 528 1HB ALA 64 HB1 ALA 64 145.171 0.053 -13.883 529 2HB ALA 64 HB2 ALA 64 146.115 -0.715 -12.607 530 3HB ALA 64 HB3 ALA 64 144.627 0.144 -12.209 531 H SER 65 HN SER 65 143.886 -0.524 -15.286 532 HA SER 65 HA SER 65 143.647 -2.611 -17.123 533 1HB SER 65 HB2 SER 65 144.269 -0.774 -18.826 534 2HB SER 65 HB1 SER 65 142.835 -0.516 -17.833 535 HG SER 65 HG SER 65 145.002 1.011 -18.027 536 H ASP 66 HN ASP 66 146.458 -1.174 -15.724 537 HA ASP 66 HA ASP 66 148.243 -2.187 -17.719 538 1HB ASP 66 HB2 ASP 66 148.403 -0.067 -16.035 539 2HB ASP 66 HB1 ASP 66 149.377 -1.253 -15.171 540 H LYS 67 HN LYS 67 146.529 -3.957 -15.945 541 HA LYS 67 HA LYS 67 146.790 -6.161 -15.355 542 1HB LYS 67 HB2 LYS 67 149.758 -5.678 -15.070 543 2HB LYS 67 HB1 LYS 67 148.929 -7.225 -15.130 544 1HG LYS 67 HG2 LYS 67 148.542 -5.446 -17.451 545 2HG LYS 67 HG1 LYS 67 150.152 -6.137 -17.237 546 1HD LYS 67 HD2 LYS 67 148.475 -8.280 -16.783 547 2HD LYS 67 HD1 LYS 67 147.668 -7.405 -18.085 548 1HE LYS 67 HE2 LYS 67 149.152 -8.140 -19.566 549 2HE LYS 67 HE1 LYS 67 150.490 -7.532 -18.593 550 1HZ LYS 67 HZ1 LYS 67 149.174 -10.182 -18.361 551 2HZ LYS 67 HZ2 LYS 67 150.313 -9.596 -17.257 552 3HZ LYS 67 HZ3 LYS 67 150.758 -9.868 -18.866 553 H LEU 68 HN LEU 68 148.094 -7.323 -13.341 554 HA LEU 68 HA LEU 68 146.955 -6.058 -11.065 555 1HB LEU 68 HB2 LEU 68 148.155 -7.931 -9.827 556 2HB LEU 68 HB1 LEU 68 146.940 -8.391 -11.004 557 HG LEU 68 HG LEU 68 149.671 -8.249 -12.082 558 1HD1 LEU 68 HD11 LEU 68 149.161 -10.678 -10.472 559 2HD1 LEU 68 HD12 LEU 68 149.676 -9.232 -9.607 560 3HD1 LEU 68 HD13 LEU 68 150.682 -9.894 -10.896 561 1HD2 LEU 68 HD21 LEU 68 147.194 -9.794 -12.402 562 2HD2 LEU 68 HD22 LEU 68 148.682 -10.718 -12.618 563 3HD2 LEU 68 HD23 LEU 68 148.382 -9.285 -13.603 564 H PHE 69 HN PHE 69 147.819 -4.236 -10.301 565 HA PHE 69 HA PHE 69 150.735 -4.026 -10.052 566 1HB PHE 69 HB2 PHE 69 148.506 -2.041 -10.227 567 2HB PHE 69 HB1 PHE 69 149.959 -1.580 -9.353 568 HD1 PHE 69 HD1 PHE 69 150.206 -3.866 -12.185 569 HD2 PHE 69 HD2 PHE 69 150.400 0.203 -10.948 570 HE1 PHE 69 HE1 PHE 69 151.293 -3.275 -14.311 571 HE2 PHE 69 HE2 PHE 69 151.486 0.799 -13.073 572 HZ PHE 69 HZ PHE 69 151.935 -0.940 -14.758 573 H ARG 70 HN ARG 70 150.929 -2.241 -7.924 574 HA ARG 70 HA ARG 70 149.427 -2.994 -5.682 575 1HB ARG 70 HB2 ARG 70 150.570 -5.128 -5.948 576 2HB ARG 70 HB1 ARG 70 152.129 -4.315 -5.956 577 1HG ARG 70 HG2 ARG 70 151.355 -3.467 -3.602 578 2HG ARG 70 HG1 ARG 70 150.284 -4.868 -3.685 579 1HD ARG 70 HD2 ARG 70 151.973 -6.145 -3.024 580 2HD ARG 70 HD1 ARG 70 152.807 -5.765 -4.530 581 HE ARG 70 HE ARG 70 153.147 -3.757 -2.509 582 1HH1 ARG 70 HH11 ARG 70 154.332 -6.808 -3.720 583 2HH1 ARG 70 HH12 ARG 70 155.911 -6.610 -3.038 584 1HH2 ARG 70 HH21 ARG 70 155.224 -3.495 -1.608 585 2HH2 ARG 70 HH22 ARG 70 156.417 -4.729 -1.838 586 H ALA 71 HN ALA 71 149.765 -1.660 -3.986 587 HA ALA 71 HA ALA 71 152.109 0.124 -4.089 588 1HB ALA 71 HB1 ALA 71 150.591 1.877 -3.098 589 2HB ALA 71 HB2 ALA 71 149.242 0.816 -3.504 590 3HB ALA 71 HB3 ALA 71 150.274 1.458 -4.781 591 H ASP 72 HN ASP 72 153.265 0.288 -2.153 592 HA ASP 72 HA ASP 72 151.946 -1.011 0.154 593 1HB ASP 72 HB2 ASP 72 154.209 -1.892 -1.046 594 2HB ASP 72 HB1 ASP 72 154.901 -0.810 0.160 595 H ILE 73 HN ILE 73 151.413 0.338 1.699 596 HA ILE 73 HA ILE 73 152.892 2.858 1.976 597 HB ILE 73 HB ILE 73 150.211 2.122 3.157 598 1HG1 ILE 73 HG12 ILE 73 150.796 3.952 0.823 599 2HG1 ILE 73 HG11 ILE 73 150.263 2.283 0.648 600 1HG2 ILE 73 HG21 ILE 73 151.977 4.489 3.352 601 2HG2 ILE 73 HG22 ILE 73 150.854 3.810 4.529 602 3HG2 ILE 73 HG23 ILE 73 150.246 4.788 3.195 603 1HD1 ILE 73 HD11 ILE 73 148.382 3.732 0.391 604 2HD1 ILE 73 HD12 ILE 73 148.744 4.547 1.912 605 3HD1 ILE 73 HD13 ILE 73 148.217 2.864 1.919 606 H SER 74 HN SER 74 153.950 3.367 3.802 607 HA SER 74 HA SER 74 153.638 1.678 6.164 608 1HB SER 74 HB2 SER 74 155.949 1.180 6.369 609 2HB SER 74 HB1 SER 74 155.562 0.846 4.681 610 HG SER 74 HG SER 74 156.641 2.615 4.062 611 H GLU 75 HN GLU 75 153.811 2.805 8.049 612 HA GLU 75 HA GLU 75 154.937 5.504 7.936 613 1HB GLU 75 HB2 GLU 75 152.418 5.058 9.484 614 2HB GLU 75 HB1 GLU 75 153.064 6.552 8.822 615 1HG GLU 75 HG2 GLU 75 152.589 5.187 6.549 616 2HG GLU 75 HG1 GLU 75 151.330 4.524 7.588 617 H ASP 76 HN ASP 76 156.638 4.017 8.974 618 HA ASP 76 HA ASP 76 156.015 3.453 11.738 619 1HB ASP 76 HB2 ASP 76 157.722 2.221 9.784 620 2HB ASP 76 HB1 ASP 76 158.647 2.623 11.227 621 H TYR 77 HN TYR 77 158.371 3.642 13.020 622 HA TYR 77 HA TYR 77 159.523 6.251 12.517 623 1HB TYR 77 HB2 TYR 77 157.976 5.702 15.051 624 2HB TYR 77 HB1 TYR 77 158.882 7.171 14.689 625 HD1 TYR 77 HD1 TYR 77 158.059 8.756 13.022 626 HD2 TYR 77 HD2 TYR 77 155.833 5.276 14.028 627 HE1 TYR 77 HE1 TYR 77 156.072 9.728 11.947 628 HE2 TYR 77 HE2 TYR 77 153.835 6.236 12.959 629 HH TYR 77 HH TYR 77 153.979 9.048 10.989 630 H LYS 78 HN LYS 78 159.506 3.231 14.233 631 HA LYS 78 HA LYS 78 161.744 3.721 15.910 632 1HB LYS 78 HB2 LYS 78 160.203 1.863 16.336 633 2HB LYS 78 HB1 LYS 78 160.661 1.115 14.812 634 1HG LYS 78 HG2 LYS 78 163.045 1.101 15.775 635 2HG LYS 78 HG1 LYS 78 162.258 1.385 17.328 636 1HD LYS 78 HD2 LYS 78 160.754 -0.649 16.446 637 2HD LYS 78 HD1 LYS 78 162.261 -1.023 15.606 638 1HE LYS 78 HE2 LYS 78 163.346 -1.554 17.514 639 2HE LYS 78 HE1 LYS 78 162.533 -0.300 18.448 640 1HZ LYS 78 HZ1 LYS 78 160.496 -1.840 18.198 641 2HZ LYS 78 HZ2 LYS 78 161.685 -2.233 19.336 642 3HZ LYS 78 HZ3 LYS 78 161.638 -3.041 17.852 643 H THR 79 HN THR 79 161.287 2.539 12.665 644 HA THR 79 HA THR 79 164.089 3.044 12.065 645 HB THR 79 HB THR 79 163.859 0.820 10.618 646 HG1 THR 79 HG1 THR 79 162.257 0.290 12.895 647 1HG2 THR 79 HG21 THR 79 164.453 0.597 13.552 648 2HG2 THR 79 HG22 THR 79 165.572 1.279 12.372 649 3HG2 THR 79 HG23 THR 79 165.073 -0.406 12.240 650 H ARG 80 HN ARG 80 161.269 4.087 11.491 651 HA ARG 80 HA ARG 80 161.674 4.454 8.660 652 1HB ARG 80 HB2 ARG 80 158.953 3.763 9.694 653 2HB ARG 80 HB1 ARG 80 159.472 3.869 8.024 654 1HG ARG 80 HG2 ARG 80 161.100 1.926 8.756 655 2HG ARG 80 HG1 ARG 80 159.862 1.675 9.989 656 1HD ARG 80 HD2 ARG 80 158.377 1.995 7.707 657 2HD ARG 80 HD1 ARG 80 159.797 1.136 7.115 658 HE ARG 80 HE ARG 80 157.747 0.117 8.876 659 1HH1 ARG 80 HH11 ARG 80 161.005 -0.292 7.690 660 2HH1 ARG 80 HH12 ARG 80 161.066 -1.979 8.075 661 1HH2 ARG 80 HH21 ARG 80 157.825 -2.099 9.381 662 2HH2 ARG 80 HH22 ARG 80 159.261 -3.005 9.035 663 H GLY 81 HN GLY 81 159.367 5.736 8.058 664 1HA GLY 81 HA2 GLY 81 159.075 7.951 9.949 665 2HA GLY 81 HA1 GLY 81 159.540 8.307 8.284 666 H ARG 82 HN ARG 82 158.133 7.420 6.580 667 HA ARG 82 HA ARG 82 155.779 6.259 6.632 668 1HB ARG 82 HB2 ARG 82 154.744 7.459 8.323 669 2HB ARG 82 HB1 ARG 82 155.437 8.987 7.801 670 1HG ARG 82 HG2 ARG 82 153.536 7.663 5.954 671 2HG ARG 82 HG1 ARG 82 152.878 8.361 7.435 672 1HD ARG 82 HD2 ARG 82 154.034 10.494 6.858 673 2HD ARG 82 HD1 ARG 82 154.489 9.773 5.315 674 HE ARG 82 HE ARG 82 152.386 10.212 4.561 675 1HH1 ARG 82 HH11 ARG 82 152.303 10.171 8.050 676 2HH1 ARG 82 HH12 ARG 82 150.645 10.658 8.140 677 1HH2 ARG 82 HH21 ARG 82 150.203 10.852 4.680 678 2HH2 ARG 82 HH22 ARG 82 149.453 11.044 6.228 679 H LYS 83 HN LYS 83 154.966 6.131 4.647 680 HA LYS 83 HA LYS 83 154.553 8.111 2.801 681 1HB LYS 83 HB2 LYS 83 156.567 7.689 1.254 682 2HB LYS 83 HB1 LYS 83 156.777 8.767 2.626 683 1HG LYS 83 HG2 LYS 83 158.267 7.418 3.622 684 2HG LYS 83 HG1 LYS 83 157.392 5.951 3.174 685 1HD LYS 83 HD2 LYS 83 159.129 5.627 1.778 686 2HD LYS 83 HD1 LYS 83 158.280 6.782 0.749 687 1HE LYS 83 HE2 LYS 83 159.602 8.603 1.674 688 2HE LYS 83 HE1 LYS 83 160.418 7.480 2.762 689 1HZ LYS 83 HZ1 LYS 83 161.686 6.643 1.099 690 2HZ LYS 83 HZ2 LYS 83 161.446 8.189 0.453 691 3HZ LYS 83 HZ3 LYS 83 160.514 6.889 -0.097 692 H LEU 84 HN LEU 84 153.987 7.412 0.719 693 HA LEU 84 HA LEU 84 153.526 4.511 0.507 694 1HB LEU 84 HB2 LEU 84 152.193 6.494 -1.289 695 2HB LEU 84 HB1 LEU 84 151.603 4.946 -0.714 696 HG LEU 84 HG LEU 84 151.512 6.151 1.607 697 1HD1 LEU 84 HD11 LEU 84 152.324 8.243 1.444 698 2HD1 LEU 84 HD12 LEU 84 150.700 8.608 0.862 699 3HD1 LEU 84 HD13 LEU 84 152.010 8.346 -0.288 700 1HD2 LEU 84 HD21 LEU 84 149.422 7.136 -0.258 701 2HD2 LEU 84 HD22 LEU 84 149.260 6.349 1.311 702 3HD2 LEU 84 HD23 LEU 84 149.654 5.393 -0.119 703 H LEU 85 HN LEU 85 154.370 3.387 -1.286 704 HA LEU 85 HA LEU 85 155.519 4.918 -3.468 705 1HB LEU 85 HB2 LEU 85 157.750 3.580 -2.935 706 2HB LEU 85 HB1 LEU 85 157.424 5.176 -2.286 707 HG LEU 85 HG LEU 85 156.610 2.763 -0.709 708 1HD1 LEU 85 HD11 LEU 85 159.152 2.881 -1.583 709 2HD1 LEU 85 HD12 LEU 85 158.693 2.247 -0.002 710 3HD1 LEU 85 HD13 LEU 85 159.275 3.905 -0.153 711 1HD2 LEU 85 HD21 LEU 85 155.912 4.505 0.525 712 2HD2 LEU 85 HD22 LEU 85 156.981 5.650 -0.285 713 3HD2 LEU 85 HD23 LEU 85 157.602 4.620 1.006 714 H ARG 86 HN ARG 86 156.362 1.721 -2.175 715 HA ARG 86 HA ARG 86 156.883 0.194 -4.185 716 1HB ARG 86 HB2 ARG 86 155.203 -0.315 -1.826 717 2HB ARG 86 HB1 ARG 86 155.094 -1.521 -3.100 718 1HG ARG 86 HG2 ARG 86 157.792 -0.640 -2.223 719 2HG ARG 86 HG1 ARG 86 156.867 -1.705 -1.163 720 1HD ARG 86 HD2 ARG 86 157.795 -3.341 -2.394 721 2HD ARG 86 HD1 ARG 86 156.523 -2.939 -3.548 722 HE ARG 86 HE ARG 86 158.518 -1.268 -4.253 723 1HH1 ARG 86 HH11 ARG 86 158.407 -4.712 -3.698 724 2HH1 ARG 86 HH12 ARG 86 159.668 -5.062 -4.831 725 1HH2 ARG 86 HH21 ARG 86 160.176 -1.726 -5.744 726 2HH2 ARG 86 HH22 ARG 86 160.674 -3.366 -5.993 727 H PHE 87 HN PHE 87 156.053 1.109 -6.137 728 HA PHE 87 HA PHE 87 153.269 0.347 -6.714 729 1HB PHE 87 HB2 PHE 87 154.440 2.811 -7.028 730 2HB PHE 87 HB1 PHE 87 154.579 2.127 -8.644 731 HD1 PHE 87 HD1 PHE 87 152.588 1.562 -9.931 732 HD2 PHE 87 HD2 PHE 87 152.306 3.369 -6.089 733 HE1 PHE 87 HE1 PHE 87 150.236 2.130 -10.376 734 HE2 PHE 87 HE2 PHE 87 149.953 3.941 -6.527 735 HZ PHE 87 HZ PHE 87 148.915 3.321 -8.672 736 H ASN 88 HN ASN 88 153.811 -1.812 -7.201 737 HA ASN 88 HA ASN 88 154.657 -2.189 -9.934 738 1HB ASN 88 HB2 ASN 88 156.606 -2.404 -7.954 739 2HB ASN 88 HB1 ASN 88 156.138 -4.070 -8.279 740 1HD2 ASN 88 HD21 ASN 88 158.127 -4.529 -9.209 741 2HD2 ASN 88 HD22 ASN 88 158.563 -3.952 -10.778 742 H GLY 89 HN GLY 89 154.787 -4.771 -10.269 743 1HA GLY 89 HA2 GLY 89 153.051 -6.333 -8.636 744 2HA GLY 89 HA1 GLY 89 152.207 -5.733 -10.054 745 HA PRO 90 HA PRO 90 155.971 -8.592 -11.546 746 1HB PRO 90 HB2 PRO 90 155.935 -10.327 -9.124 747 2HB PRO 90 HB1 PRO 90 157.296 -9.847 -10.144 748 1HG PRO 90 HG2 PRO 90 156.944 -8.743 -7.749 749 2HG PRO 90 HG1 PRO 90 157.501 -7.773 -9.126 750 1HD PRO 90 HD2 PRO 90 154.800 -7.892 -7.855 751 2HD PRO 90 HD1 PRO 90 155.661 -6.506 -8.556 752 H VAL 91 HN VAL 91 155.873 -11.108 -11.898 753 HA VAL 91 HA VAL 91 153.055 -11.743 -12.329 754 HB VAL 91 HB VAL 91 153.988 -13.630 -13.729 755 1HG1 VAL 91 HG11 VAL 91 153.175 -11.664 -14.810 756 2HG1 VAL 91 HG12 VAL 91 154.700 -12.105 -15.578 757 3HG1 VAL 91 HG13 VAL 91 154.647 -10.774 -14.422 758 1HG2 VAL 91 HG21 VAL 91 156.593 -12.144 -13.589 759 2HG2 VAL 91 HG22 VAL 91 156.263 -13.737 -14.269 760 3HG2 VAL 91 HG23 VAL 91 156.243 -13.504 -12.520 Start of MODEL 4 1 1H GLY 1 HT1 GLY 1 152.138 -4.156 16.595 2 2H GLY 1 HT2 GLY 1 150.707 -4.407 17.459 3 3H GLY 1 HT3 GLY 1 150.714 -3.374 16.119 4 1HA GLY 1 HA1 GLY 1 151.359 -5.325 14.718 5 2HA GLY 1 HA2 GLY 1 151.032 -6.321 16.129 6 H GLU 2 HN GLU 2 149.665 -4.450 13.557 7 HA GLU 2 HA GLU 2 146.997 -4.322 14.382 8 1HB GLU 2 HB2 GLU 2 148.470 -3.776 12.016 9 2HB GLU 2 HB1 GLU 2 147.083 -4.749 11.559 10 1HG GLU 2 HG2 GLU 2 146.684 -2.415 13.363 11 2HG GLU 2 HG1 GLU 2 146.934 -2.142 11.640 12 H TRP 3 HN TRP 3 145.509 -5.587 12.372 13 HA TRP 3 HA TRP 3 145.841 -8.410 13.133 14 1HB TRP 3 HB2 TRP 3 143.550 -6.627 13.221 15 2HB TRP 3 HB1 TRP 3 143.199 -8.093 12.310 16 HD1 TRP 3 HD1 TRP 3 144.699 -10.256 13.973 17 HE1 TRP 3 HE1 TRP 3 143.937 -10.845 16.362 18 HE3 TRP 3 HE3 TRP 3 142.141 -5.973 15.090 19 HZ2 TRP 3 HZ2 TRP 3 142.448 -9.652 18.442 20 HZ3 TRP 3 HZ3 TRP 3 141.076 -5.777 17.300 21 HH2 TRP 3 HH2 TRP 3 141.227 -7.579 18.940 22 H GLU 4 HN GLU 4 146.540 -6.580 10.593 23 HA GLU 4 HA GLU 4 146.867 -7.031 8.381 24 1HB GLU 4 HB2 GLU 4 145.768 -9.795 8.865 25 2HB GLU 4 HB1 GLU 4 146.897 -9.280 7.619 26 1HG GLU 4 HG2 GLU 4 148.636 -9.681 8.925 27 2HG GLU 4 HG1 GLU 4 147.954 -8.719 10.235 28 H ILE 5 HN ILE 5 145.441 -8.464 6.536 29 HA ILE 5 HA ILE 5 143.414 -6.856 5.742 30 HB ILE 5 HB ILE 5 144.314 -8.656 4.353 31 1HG1 ILE 5 HG12 ILE 5 142.247 -9.291 3.231 32 2HG1 ILE 5 HG11 ILE 5 141.316 -8.916 4.678 33 1HG2 ILE 5 HG21 ILE 5 144.277 -10.349 6.231 34 2HG2 ILE 5 HG22 ILE 5 143.781 -10.936 4.643 35 3HG2 ILE 5 HG23 ILE 5 142.565 -10.575 5.869 36 1HD1 ILE 5 HD11 ILE 5 141.520 -7.238 2.646 37 2HD1 ILE 5 HD12 ILE 5 142.970 -6.750 3.524 38 3HD1 ILE 5 HD13 ILE 5 141.394 -6.681 4.314 39 H ILE 6 HN ILE 6 141.376 -6.416 6.297 40 HA ILE 6 HA ILE 6 140.042 -8.208 8.215 41 HB ILE 6 HB ILE 6 138.787 -5.917 8.758 42 1HG1 ILE 6 HG12 ILE 6 140.386 -4.748 7.110 43 2HG1 ILE 6 HG11 ILE 6 140.148 -4.002 8.683 44 1HG2 ILE 6 HG21 ILE 6 141.164 -7.252 9.912 45 2HG2 ILE 6 HG22 ILE 6 139.550 -7.018 10.586 46 3HG2 ILE 6 HG23 ILE 6 140.704 -5.682 10.571 47 1HD1 ILE 6 HD11 ILE 6 142.423 -3.842 8.377 48 2HD1 ILE 6 HD12 ILE 6 142.540 -5.423 7.606 49 3HD1 ILE 6 HD13 ILE 6 142.285 -5.306 9.347 50 H GLU 7 HN GLU 7 139.438 -5.683 5.780 51 HA GLU 7 HA GLU 7 136.978 -7.126 5.038 52 1HB GLU 7 HB2 GLU 7 137.437 -4.143 4.868 53 2HB GLU 7 HB1 GLU 7 135.960 -4.995 4.444 54 1HG GLU 7 HG2 GLU 7 135.990 -5.803 6.892 55 2HG GLU 7 HG1 GLU 7 137.128 -4.480 7.146 56 H ILE 8 HN ILE 8 136.288 -5.973 2.736 57 HA ILE 8 HA ILE 8 138.646 -5.950 0.998 58 HB ILE 8 HB ILE 8 136.225 -7.613 0.321 59 1HG1 ILE 8 HG12 ILE 8 137.382 -8.536 2.308 60 2HG1 ILE 8 HG11 ILE 8 137.523 -9.588 0.902 61 1HG2 ILE 8 HG21 ILE 8 137.232 -7.195 -1.684 62 2HG2 ILE 8 HG22 ILE 8 138.139 -8.624 -1.188 63 3HG2 ILE 8 HG23 ILE 8 138.835 -7.018 -0.969 64 1HD1 ILE 8 HD11 ILE 8 139.709 -7.661 1.236 65 2HD1 ILE 8 HD12 ILE 8 139.751 -9.374 0.815 66 3HD1 ILE 8 HD13 ILE 8 139.577 -8.883 2.501 67 H GLY 9 HN GLY 9 136.537 -4.001 1.969 68 1HA GLY 9 HA2 GLY 9 135.407 -3.250 -0.650 69 2HA GLY 9 HA1 GLY 9 134.744 -2.763 0.902 70 HA PRO 10 HA PRO 10 136.818 1.113 0.251 71 1HB PRO 10 HB2 PRO 10 136.883 1.955 2.860 72 2HB PRO 10 HB1 PRO 10 135.464 2.082 1.818 73 1HG PRO 10 HG2 PRO 10 136.118 0.023 3.886 74 2HG PRO 10 HG1 PRO 10 134.569 0.815 3.544 75 1HD PRO 10 HD2 PRO 10 135.101 -1.679 2.694 76 2HD PRO 10 HD1 PRO 10 134.128 -0.551 1.727 77 H PHE 11 HN PHE 11 137.915 -1.279 2.529 78 HA PHE 11 HA PHE 11 140.316 -0.187 3.361 79 1HB PHE 11 HB2 PHE 11 139.375 -2.156 4.403 80 2HB PHE 11 HB1 PHE 11 139.544 -3.071 2.910 81 HD1 PHE 11 HD1 PHE 11 141.944 -3.378 2.016 82 HD2 PHE 11 HD2 PHE 11 141.029 -2.243 6.012 83 HE1 PHE 11 HE1 PHE 11 144.159 -4.165 2.740 84 HE2 PHE 11 HE2 PHE 11 143.244 -3.024 6.746 85 HZ PHE 11 HZ PHE 11 144.811 -3.988 5.108 86 H THR 12 HN THR 12 139.856 -2.527 0.691 87 HA THR 12 HA THR 12 142.538 -2.281 -0.192 88 HB THR 12 HB THR 12 140.605 -3.186 -2.201 89 HG1 THR 12 HG1 THR 12 140.165 -5.110 -0.973 90 1HG2 THR 12 HG21 THR 12 142.102 -5.309 -1.767 91 2HG2 THR 12 HG22 THR 12 143.161 -4.110 -1.026 92 3HG2 THR 12 HG23 THR 12 142.686 -3.941 -2.712 93 H GLN 13 HN GLN 13 139.499 -1.131 -1.652 94 HA GLN 13 HA GLN 13 140.639 0.256 -3.763 95 1HB GLN 13 HB2 GLN 13 138.559 1.412 -3.993 96 2HB GLN 13 HB1 GLN 13 138.211 -0.232 -3.476 97 1HG GLN 13 HG2 GLN 13 137.777 0.491 -1.245 98 2HG GLN 13 HG1 GLN 13 138.325 2.124 -1.614 99 1HE2 GLN 13 HE21 GLN 13 136.227 -0.053 -3.447 100 2HE2 GLN 13 HE22 GLN 13 134.853 0.994 -3.457 101 H ASN 14 HN ASN 14 140.678 1.033 -0.412 102 HA ASN 14 HA ASN 14 140.902 3.816 -0.566 103 1HB ASN 14 HB2 ASN 14 141.358 1.753 1.456 104 2HB ASN 14 HB1 ASN 14 142.456 3.120 1.611 105 1HD2 ASN 14 HD21 ASN 14 141.613 4.025 3.410 106 2HD2 ASN 14 HD22 ASN 14 140.019 4.686 3.505 107 H LEU 15 HN LEU 15 143.456 1.343 -0.266 108 HA LEU 15 HA LEU 15 145.678 2.965 -0.520 109 1HB LEU 15 HB2 LEU 15 145.290 0.293 -0.421 110 2HB LEU 15 HB1 LEU 15 145.745 0.463 -2.099 111 HG LEU 15 HG LEU 15 147.741 -0.030 -0.975 112 1HD1 LEU 15 HD11 LEU 15 148.083 1.766 -2.520 113 2HD1 LEU 15 HD12 LEU 15 149.066 2.070 -1.087 114 3HD1 LEU 15 HD13 LEU 15 147.559 2.955 -1.326 115 1HD2 LEU 15 HD21 LEU 15 147.711 0.169 1.242 116 2HD2 LEU 15 HD22 LEU 15 146.491 1.441 1.195 117 3HD2 LEU 15 HD23 LEU 15 148.194 1.846 0.992 118 H GLY 16 HN GLY 16 143.565 1.637 -3.000 119 1HA GLY 16 HA2 GLY 16 144.908 2.372 -5.305 120 2HA GLY 16 HA1 GLY 16 143.158 2.339 -5.161 121 H LYS 17 HN LYS 17 142.768 4.388 -3.303 122 HA LYS 17 HA LYS 17 142.798 6.658 -4.960 123 1HB LYS 17 HB2 LYS 17 141.490 6.021 -2.694 124 2HB LYS 17 HB1 LYS 17 142.724 7.078 -2.022 125 1HG LYS 17 HG2 LYS 17 142.002 8.910 -3.332 126 2HG LYS 17 HG1 LYS 17 140.972 7.878 -4.326 127 1HD LYS 17 HD2 LYS 17 139.672 7.360 -2.226 128 2HD LYS 17 HD1 LYS 17 140.588 8.647 -1.440 129 1HE LYS 17 HE2 LYS 17 139.266 9.277 -4.020 130 2HE LYS 17 HE1 LYS 17 138.233 9.074 -2.605 131 1HZ LYS 17 HZ1 LYS 17 140.577 10.758 -2.249 132 2HZ LYS 17 HZ2 LYS 17 139.002 10.955 -1.665 133 3HZ LYS 17 HZ3 LYS 17 139.369 11.377 -3.261 134 H PHE 18 HN PHE 18 144.748 5.930 -2.068 135 HA PHE 18 HA PHE 18 146.458 8.174 -2.404 136 1HB PHE 18 HB2 PHE 18 146.517 5.714 -0.694 137 2HB PHE 18 HB1 PHE 18 147.940 6.744 -0.787 138 HD1 PHE 18 HD1 PHE 18 148.062 7.720 1.314 139 HD2 PHE 18 HD2 PHE 18 144.359 7.727 -0.779 140 HE1 PHE 18 HE1 PHE 18 147.102 9.203 3.026 141 HE2 PHE 18 HE2 PHE 18 143.391 9.212 0.929 142 HZ PHE 18 HZ PHE 18 144.765 9.951 2.835 143 H ALA 19 HN ALA 19 146.244 5.240 -4.022 144 HA ALA 19 HA ALA 19 148.966 4.700 -4.551 145 1HB ALA 19 HB1 ALA 19 147.357 3.857 -6.746 146 2HB ALA 19 HB2 ALA 19 146.463 3.578 -5.253 147 3HB ALA 19 HB3 ALA 19 148.069 2.883 -5.460 148 H VAL 20 HN VAL 20 146.674 5.664 -7.088 149 HA VAL 20 HA VAL 20 148.499 6.735 -8.842 150 HB VAL 20 HB VAL 20 146.174 6.374 -9.466 151 1HG1 VAL 20 HG11 VAL 20 145.534 8.762 -7.737 152 2HG1 VAL 20 HG12 VAL 20 145.152 7.085 -7.349 153 3HG1 VAL 20 HG13 VAL 20 144.397 7.861 -8.740 154 1HG2 VAL 20 HG21 VAL 20 145.941 8.169 -10.936 155 2HG2 VAL 20 HG22 VAL 20 147.670 8.145 -10.587 156 3HG2 VAL 20 HG23 VAL 20 146.627 9.321 -9.789 157 H ASP 21 HN ASP 21 146.869 8.364 -6.150 158 HA ASP 21 HA ASP 21 147.818 10.960 -6.691 159 1HB ASP 21 HB2 ASP 21 146.631 9.567 -4.351 160 2HB ASP 21 HB1 ASP 21 147.531 11.042 -4.016 161 H GLU 22 HN GLU 22 149.318 8.183 -5.252 162 HA GLU 22 HA GLU 22 151.609 9.813 -4.415 163 1HB GLU 22 HB2 GLU 22 150.548 8.227 -2.768 164 2HB GLU 22 HB1 GLU 22 151.119 6.905 -3.778 165 1HG GLU 22 HG2 GLU 22 152.678 7.169 -2.021 166 2HG GLU 22 HG1 GLU 22 153.436 7.790 -3.482 167 H GLU 23 HN GLU 23 150.581 7.873 -6.963 168 HA GLU 23 HA GLU 23 152.744 6.353 -7.715 169 1HB GLU 23 HB2 GLU 23 150.472 6.684 -8.886 170 2HB GLU 23 HB1 GLU 23 151.238 8.036 -9.707 171 1HG GLU 23 HG2 GLU 23 152.269 5.212 -9.770 172 2HG GLU 23 HG1 GLU 23 151.228 5.923 -11.002 173 H ASN 24 HN ASN 24 152.352 9.800 -7.776 174 HA ASN 24 HA ASN 24 154.482 10.481 -9.484 175 1HB ASN 24 HB2 ASN 24 152.851 11.885 -7.428 176 2HB ASN 24 HB1 ASN 24 154.372 12.637 -7.900 177 1HD2 ASN 24 HD21 ASN 24 151.808 10.880 -9.611 178 2HD2 ASN 24 HD22 ASN 24 151.559 12.082 -10.827 179 H LYS 25 HN LYS 25 154.381 9.532 -6.130 180 HA LYS 25 HA LYS 25 156.947 10.522 -5.411 181 1HB LYS 25 HB2 LYS 25 154.821 9.054 -4.144 182 2HB LYS 25 HB1 LYS 25 156.361 8.290 -3.785 183 1HG LYS 25 HG2 LYS 25 156.594 11.134 -3.510 184 2HG LYS 25 HG1 LYS 25 155.234 10.537 -2.558 185 1HD LYS 25 HD2 LYS 25 156.748 8.832 -1.568 186 2HD LYS 25 HD1 LYS 25 158.093 9.578 -2.436 187 1HE LYS 25 HE2 LYS 25 157.948 11.554 -1.182 188 2HE LYS 25 HE1 LYS 25 156.331 11.165 -0.597 189 1HZ LYS 25 HZ1 LYS 25 157.441 10.517 1.224 190 2HZ LYS 25 HZ2 LYS 25 158.913 10.326 0.410 191 3HZ LYS 25 HZ3 LYS 25 157.746 9.103 0.348 192 H ILE 26 HN ILE 26 156.213 7.050 -5.241 193 HA ILE 26 HA ILE 26 158.766 6.148 -5.669 194 HB ILE 26 HB ILE 26 156.888 4.713 -4.968 195 1HG1 ILE 26 HG12 ILE 26 157.603 2.695 -6.128 196 2HG1 ILE 26 HG11 ILE 26 158.297 3.661 -7.427 197 1HG2 ILE 26 HG21 ILE 26 156.068 4.931 -7.852 198 2HG2 ILE 26 HG22 ILE 26 155.143 5.406 -6.428 199 3HG2 ILE 26 HG23 ILE 26 155.458 3.701 -6.746 200 1HD1 ILE 26 HD11 ILE 26 160.133 4.211 -6.218 201 2HD1 ILE 26 HD12 ILE 26 159.756 2.663 -5.461 202 3HD1 ILE 26 HD13 ILE 26 159.273 4.168 -4.679 203 H GLY 27 HN GLY 27 156.354 7.020 -8.090 204 1HA GLY 27 HA2 GLY 27 158.255 6.359 -10.233 205 2HA GLY 27 HA1 GLY 27 156.538 6.672 -10.444 206 H GLN 28 HN GLN 28 157.603 8.015 -12.217 207 HA GLN 28 HA GLN 28 158.438 10.637 -11.187 208 1HB GLN 28 HB2 GLN 28 159.051 9.094 -13.637 209 2HB GLN 28 HB1 GLN 28 158.870 10.830 -13.846 210 1HG GLN 28 HG2 GLN 28 160.484 10.566 -11.605 211 2HG GLN 28 HG1 GLN 28 161.053 9.320 -12.715 212 1HE2 GLN 28 HE21 GLN 28 161.438 12.448 -11.812 213 2HE2 GLN 28 HE22 GLN 28 162.143 13.086 -13.256 214 H TYR 29 HN TYR 29 156.382 9.200 -13.716 215 HA TYR 29 HA TYR 29 154.716 11.629 -13.622 216 1HB TYR 29 HB2 TYR 29 155.884 10.318 -15.815 217 2HB TYR 29 HB1 TYR 29 154.169 9.930 -15.899 218 HD1 TYR 29 HD1 TYR 29 152.901 11.336 -17.201 219 HD2 TYR 29 HD2 TYR 29 156.280 12.937 -15.171 220 HE1 TYR 29 HE1 TYR 29 152.451 13.538 -18.199 221 HE2 TYR 29 HE2 TYR 29 155.837 15.142 -16.161 222 HH TYR 29 HH TYR 29 152.997 16.011 -17.525 223 H GLY 30 HN GLY 30 152.675 11.457 -12.921 224 1HA GLY 30 HA2 GLY 30 151.642 8.746 -12.409 225 2HA GLY 30 HA1 GLY 30 151.154 10.198 -11.547 226 H ARG 31 HN ARG 31 149.383 8.316 -12.711 227 HA ARG 31 HA ARG 31 147.613 10.033 -14.051 228 1HB ARG 31 HB2 ARG 31 147.647 9.213 -16.299 229 2HB ARG 31 HB1 ARG 31 149.289 9.683 -15.885 230 1HG ARG 31 HG2 ARG 31 149.891 7.363 -15.524 231 2HG ARG 31 HG1 ARG 31 148.232 6.864 -15.857 232 1HD ARG 31 HD2 ARG 31 149.722 6.550 -17.794 233 2HD ARG 31 HD1 ARG 31 148.405 7.674 -18.127 234 HE ARG 31 HE ARG 31 150.712 9.066 -17.251 235 1HH1 ARG 31 HH11 ARG 31 149.399 7.399 -20.023 236 2HH1 ARG 31 HH12 ARG 31 150.327 8.307 -21.166 237 1HH2 ARG 31 HH21 ARG 31 151.933 10.264 -18.752 238 2HH2 ARG 31 HH22 ARG 31 151.767 9.938 -20.445 239 H LEU 32 HN LEU 32 146.294 7.977 -15.650 240 HA LEU 32 HA LEU 32 144.799 6.731 -13.580 241 1HB LEU 32 HB2 LEU 32 144.045 7.432 -15.946 242 2HB LEU 32 HB1 LEU 32 144.727 5.902 -16.466 243 HG LEU 32 HG LEU 32 142.831 5.757 -14.203 244 1HD1 LEU 32 HD11 LEU 32 141.699 6.077 -16.953 245 2HD1 LEU 32 HD12 LEU 32 141.940 7.478 -15.909 246 3HD1 LEU 32 HD13 LEU 32 140.884 6.163 -15.390 247 1HD2 LEU 32 HD21 LEU 32 144.061 3.940 -15.761 248 2HD2 LEU 32 HD22 LEU 32 142.543 4.126 -16.640 249 3HD2 LEU 32 HD23 LEU 32 142.528 3.648 -14.942 250 H THR 33 HN THR 33 145.902 5.291 -12.361 251 HA THR 33 HA THR 33 147.209 3.050 -13.756 252 HB THR 33 HB THR 33 148.093 3.102 -11.092 253 HG1 THR 33 HG1 THR 33 147.670 5.139 -10.637 254 1HG2 THR 33 HG21 THR 33 149.892 4.466 -12.893 255 2HG2 THR 33 HG22 THR 33 149.249 2.974 -13.578 256 3HG2 THR 33 HG23 THR 33 150.089 2.942 -12.028 257 H PHE 34 HN PHE 34 146.296 3.385 -10.355 258 HA PHE 34 HA PHE 34 145.330 0.764 -10.165 259 1HB PHE 34 HB2 PHE 34 145.100 3.190 -8.415 260 2HB PHE 34 HB1 PHE 34 144.241 1.709 -8.002 261 HD1 PHE 34 HD1 PHE 34 147.644 2.288 -9.412 262 HD2 PHE 34 HD2 PHE 34 145.314 0.737 -6.209 263 HE1 PHE 34 HE1 PHE 34 149.684 1.402 -8.362 264 HE2 PHE 34 HE2 PHE 34 147.349 -0.148 -5.152 265 HZ PHE 34 HZ PHE 34 149.537 0.184 -6.228 266 H ASN 35 HN ASN 35 143.841 0.424 -11.830 267 HA ASN 35 HA ASN 35 141.418 1.999 -11.945 268 1HB ASN 35 HB2 ASN 35 142.810 0.452 -13.777 269 2HB ASN 35 HB1 ASN 35 141.386 -0.521 -13.424 270 1HD2 ASN 35 HD21 ASN 35 140.669 -0.177 -15.555 271 2HD2 ASN 35 HD22 ASN 35 139.938 1.317 -16.022 272 H LYS 36 HN LYS 36 142.139 -1.455 -11.392 273 HA LYS 36 HA LYS 36 139.677 -1.596 -9.771 274 1HB LYS 36 HB2 LYS 36 140.627 -3.251 -11.919 275 2HB LYS 36 HB1 LYS 36 140.520 -4.212 -10.451 276 1HG LYS 36 HG2 LYS 36 138.161 -3.026 -10.286 277 2HG LYS 36 HG1 LYS 36 138.380 -2.916 -12.035 278 1HD LYS 36 HD2 LYS 36 139.110 -5.494 -11.559 279 2HD LYS 36 HD1 LYS 36 137.860 -5.254 -10.338 280 1HE LYS 36 HE2 LYS 36 136.535 -5.900 -12.067 281 2HE LYS 36 HE1 LYS 36 136.592 -4.171 -12.403 282 1HZ LYS 36 HZ1 LYS 36 138.316 -6.238 -13.660 283 2HZ LYS 36 HZ2 LYS 36 138.386 -4.579 -13.977 284 3HZ LYS 36 HZ3 LYS 36 137.007 -5.460 -14.396 285 H VAL 37 HN VAL 37 141.479 -0.615 -8.300 286 HA VAL 37 HA VAL 37 143.498 -2.192 -7.214 287 HB VAL 37 HB VAL 37 143.553 0.123 -6.763 288 1HG1 VAL 37 HG11 VAL 37 140.747 -0.272 -5.857 289 2HG1 VAL 37 HG12 VAL 37 141.433 0.964 -6.909 290 3HG1 VAL 37 HG13 VAL 37 141.692 1.047 -5.168 291 1HG2 VAL 37 HG21 VAL 37 143.868 0.229 -4.399 292 2HG2 VAL 37 HG22 VAL 37 144.326 -1.391 -4.925 293 3HG2 VAL 37 HG23 VAL 37 142.771 -1.127 -4.135 294 H ILE 38 HN ILE 38 143.213 -4.174 -6.387 295 HA ILE 38 HA ILE 38 141.593 -4.494 -4.055 296 HB ILE 38 HB ILE 38 140.352 -6.501 -5.030 297 1HG1 ILE 38 HG12 ILE 38 140.399 -5.189 -7.674 298 2HG1 ILE 38 HG11 ILE 38 141.880 -6.036 -7.237 299 1HG2 ILE 38 HG21 ILE 38 139.483 -4.131 -4.497 300 2HG2 ILE 38 HG22 ILE 38 138.492 -5.206 -5.482 301 3HG2 ILE 38 HG23 ILE 38 139.439 -3.930 -6.249 302 1HD1 ILE 38 HD11 ILE 38 140.956 -8.017 -7.613 303 2HD1 ILE 38 HD12 ILE 38 139.627 -7.140 -8.373 304 3HD1 ILE 38 HD13 ILE 38 139.518 -7.613 -6.678 305 H LYS 39 HN LYS 39 141.756 -7.510 -5.459 306 HA LYS 39 HA LYS 39 142.992 -9.354 -5.097 307 1HB LYS 39 HB2 LYS 39 144.898 -7.271 -5.868 308 2HB LYS 39 HB1 LYS 39 145.622 -8.622 -5.005 309 1HG LYS 39 HG2 LYS 39 145.730 -9.011 -7.376 310 2HG LYS 39 HG1 LYS 39 144.625 -10.169 -6.634 311 1HD LYS 39 HD2 LYS 39 142.779 -9.246 -7.617 312 2HD LYS 39 HD1 LYS 39 143.486 -7.630 -7.675 313 1HE LYS 39 HE2 LYS 39 143.190 -8.756 -9.902 314 2HE LYS 39 HE1 LYS 39 144.822 -8.188 -9.553 315 1HZ LYS 39 HZ1 LYS 39 144.883 -10.387 -10.506 316 2HZ LYS 39 HZ2 LYS 39 143.853 -10.984 -9.306 317 3HZ LYS 39 HZ3 LYS 39 145.408 -10.458 -8.898 318 HA PRO 40 HA PRO 40 143.875 -10.296 -0.926 319 1HB PRO 40 HB2 PRO 40 146.621 -11.135 -1.755 320 2HB PRO 40 HB1 PRO 40 145.423 -12.001 -0.785 321 1HG PRO 40 HG2 PRO 40 145.826 -12.654 -3.331 322 2HG PRO 40 HG1 PRO 40 144.193 -12.650 -2.640 323 1HD PRO 40 HD2 PRO 40 145.471 -10.702 -4.494 324 2HD PRO 40 HD1 PRO 40 143.775 -11.208 -4.379 325 H CYS 41 HN CYS 41 143.902 -8.086 -0.295 326 HA CYS 41 HA CYS 41 146.488 -6.755 -0.098 327 1HB CYS 41 HB2 CYS 41 145.177 -4.836 0.705 328 2HB CYS 41 HB1 CYS 41 144.554 -5.446 -0.821 329 HG CYS 41 HG CYS 41 142.766 -4.930 1.253 330 H MET 42 HN MET 42 147.023 -5.667 2.016 331 HA MET 42 HA MET 42 145.997 -6.892 4.421 332 1HB MET 42 HB2 MET 42 148.525 -7.768 3.189 333 2HB MET 42 HB1 MET 42 148.646 -7.359 4.895 334 1HG MET 42 HG2 MET 42 147.052 -8.989 5.497 335 2HG MET 42 HG1 MET 42 146.565 -9.237 3.822 336 1HE MET 42 HE1 MET 42 147.901 -12.432 3.411 337 2HE MET 42 HE2 MET 42 146.534 -11.454 3.942 338 3HE MET 42 HE3 MET 42 147.519 -12.307 5.130 339 H LYS 43 HN LYS 43 146.778 -5.883 6.359 340 HA LYS 43 HA LYS 43 148.459 -3.521 6.078 341 1HB LYS 43 HB2 LYS 43 146.196 -2.698 5.592 342 2HB LYS 43 HB1 LYS 43 145.624 -3.353 7.119 343 1HG LYS 43 HG2 LYS 43 147.905 -1.472 7.226 344 2HG LYS 43 HG1 LYS 43 146.322 -0.810 6.818 345 1HD LYS 43 HD2 LYS 43 145.434 -1.993 8.863 346 2HD LYS 43 HD1 LYS 43 147.112 -2.321 9.299 347 1HE LYS 43 HE2 LYS 43 147.553 -0.142 9.802 348 2HE LYS 43 HE1 LYS 43 146.391 0.478 8.631 349 1HZ LYS 43 HZ1 LYS 43 144.645 0.208 10.090 350 2HZ LYS 43 HZ2 LYS 43 145.888 0.684 11.134 351 3HZ LYS 43 HZ3 LYS 43 145.450 -0.946 11.029 352 H LYS 44 HN LYS 44 149.755 -3.329 7.792 353 HA LYS 44 HA LYS 44 148.948 -4.623 10.314 354 1HB LYS 44 HB2 LYS 44 151.274 -5.072 8.673 355 2HB LYS 44 HB1 LYS 44 151.763 -4.482 10.256 356 1HG LYS 44 HG2 LYS 44 150.289 -6.273 11.244 357 2HG LYS 44 HG1 LYS 44 150.149 -6.933 9.614 358 1HD LYS 44 HD2 LYS 44 151.967 -8.123 10.209 359 2HD LYS 44 HD1 LYS 44 152.832 -6.637 9.806 360 1HE LYS 44 HE2 LYS 44 153.666 -6.837 11.884 361 2HE LYS 44 HE1 LYS 44 152.123 -6.138 12.374 362 1HZ LYS 44 HZ1 LYS 44 153.108 -8.854 12.676 363 2HZ LYS 44 HZ2 LYS 44 151.477 -8.711 12.257 364 3HZ LYS 44 HZ3 LYS 44 152.057 -7.966 13.661 365 H THR 45 HN THR 45 150.747 -3.767 12.063 366 HA THR 45 HA THR 45 151.446 -1.058 11.822 367 HB THR 45 HB THR 45 148.913 -0.999 12.161 368 HG1 THR 45 HG1 THR 45 149.119 0.876 13.235 369 1HG2 THR 45 HG21 THR 45 148.215 -0.986 14.541 370 2HG2 THR 45 HG22 THR 45 149.747 -1.754 14.947 371 3HG2 THR 45 HG23 THR 45 148.594 -2.585 13.906 372 H ILE 46 HN ILE 46 152.775 -0.324 13.428 373 HA ILE 46 HA ILE 46 153.454 -2.256 15.549 374 HB ILE 46 HB ILE 46 155.381 -0.521 14.005 375 1HG1 ILE 46 HG12 ILE 46 156.216 -2.955 13.407 376 2HG1 ILE 46 HG11 ILE 46 154.536 -3.370 13.732 377 1HG2 ILE 46 HG21 ILE 46 157.117 -1.773 15.199 378 2HG2 ILE 46 HG22 ILE 46 155.869 -2.602 16.128 379 3HG2 ILE 46 HG23 ILE 46 156.085 -0.859 16.298 380 1HD1 ILE 46 HD11 ILE 46 155.317 -2.757 11.325 381 2HD1 ILE 46 HD12 ILE 46 155.136 -1.101 11.907 382 3HD1 ILE 46 HD13 ILE 46 153.757 -2.202 11.930 383 H TYR 47 HN TYR 47 152.348 -1.144 17.176 384 HA TYR 47 HA TYR 47 153.176 1.630 17.657 385 1HB TYR 47 HB2 TYR 47 151.247 1.835 19.101 386 2HB TYR 47 HB1 TYR 47 150.731 1.131 17.573 387 HD1 TYR 47 HD1 TYR 47 150.830 0.737 21.132 388 HD2 TYR 47 HD2 TYR 47 150.387 -1.392 17.475 389 HE1 TYR 47 HE1 TYR 47 149.813 -1.138 22.355 390 HE2 TYR 47 HE2 TYR 47 149.366 -3.272 18.687 391 HH TYR 47 HH TYR 47 149.545 -4.128 21.245 392 H GLU 48 HN GLU 48 153.978 2.289 19.670 393 HA GLU 48 HA GLU 48 155.561 0.313 21.003 394 1HB GLU 48 HB2 GLU 48 156.530 2.476 20.647 395 2HB GLU 48 HB1 GLU 48 155.198 3.262 21.480 396 1HG GLU 48 HG2 GLU 48 156.301 3.129 23.389 397 2HG GLU 48 HG1 GLU 48 156.341 1.373 23.257 398 H ASN 49 HN ASN 49 153.880 2.779 22.771 399 HA ASN 49 HA ASN 49 152.066 0.953 24.059 400 1HB ASN 49 HB2 ASN 49 154.359 2.165 25.621 401 2HB ASN 49 HB1 ASN 49 152.967 1.365 26.344 402 1HD2 ASN 49 HD21 ASN 49 152.556 -0.873 25.268 403 2HD2 ASN 49 HD22 ASN 49 153.951 -1.884 25.154 404 H GLU 50 HN GLU 50 153.708 4.062 24.602 405 HA GLU 50 HA GLU 50 151.095 5.288 25.147 406 1HB GLU 50 HB2 GLU 50 152.378 7.137 26.152 407 2HB GLU 50 HB1 GLU 50 152.748 5.596 26.914 408 1HG GLU 50 HG2 GLU 50 154.893 5.672 26.306 409 2HG GLU 50 HG1 GLU 50 154.515 6.263 24.689 410 H ARG 51 HN ARG 51 151.901 4.620 22.501 411 HA ARG 51 HA ARG 51 151.842 5.503 20.409 412 1HB ARG 51 HB2 ARG 51 150.878 7.759 22.077 413 2HB ARG 51 HB1 ARG 51 151.442 8.167 20.464 414 1HG ARG 51 HG2 ARG 51 149.475 7.563 19.659 415 2HG ARG 51 HG1 ARG 51 149.791 5.908 20.182 416 1HD ARG 51 HD2 ARG 51 149.024 7.022 22.519 417 2HD ARG 51 HD1 ARG 51 148.084 7.990 21.386 418 HE ARG 51 HE ARG 51 146.753 6.175 21.013 419 1HH1 ARG 51 HH11 ARG 51 149.742 5.079 22.444 420 2HH1 ARG 51 HH12 ARG 51 149.203 3.442 22.619 421 1HH2 ARG 51 HH21 ARG 51 146.045 4.023 21.240 422 2HH2 ARG 51 HH22 ARG 51 147.105 2.843 21.934 423 H GLU 52 HN GLU 52 154.275 4.993 21.264 424 HA GLU 52 HA GLU 52 155.936 7.361 20.952 425 1HB GLU 52 HB2 GLU 52 156.220 4.824 22.276 426 2HB GLU 52 HB1 GLU 52 157.571 5.078 21.180 427 1HG GLU 52 HG2 GLU 52 156.676 7.015 23.302 428 2HG GLU 52 HG1 GLU 52 158.017 5.882 23.456 429 H ILE 53 HN ILE 53 154.704 4.847 19.051 430 HA ILE 53 HA ILE 53 156.361 5.709 16.842 431 HB ILE 53 HB ILE 53 157.684 3.893 17.428 432 1HG1 ILE 53 HG12 ILE 53 155.728 2.862 15.363 433 2HG1 ILE 53 HG11 ILE 53 157.133 3.872 15.047 434 1HG2 ILE 53 HG21 ILE 53 155.811 1.708 17.523 435 2HG2 ILE 53 HG22 ILE 53 155.439 2.938 18.730 436 3HG2 ILE 53 HG23 ILE 53 157.038 2.201 18.690 437 1HD1 ILE 53 HD11 ILE 53 157.074 1.014 15.958 438 2HD1 ILE 53 HD12 ILE 53 158.532 2.005 15.995 439 3HD1 ILE 53 HD13 ILE 53 157.731 1.673 14.459 440 H LYS 54 HN LYS 54 154.317 2.895 17.046 441 HA LYS 54 HA LYS 54 152.351 2.325 16.049 442 1HB LYS 54 HB2 LYS 54 151.866 4.811 16.977 443 2HB LYS 54 HB1 LYS 54 151.668 5.096 15.254 444 1HG LYS 54 HG2 LYS 54 149.841 3.692 15.096 445 2HG LYS 54 HG1 LYS 54 150.269 2.804 16.561 446 1HD LYS 54 HD2 LYS 54 149.180 4.246 17.892 447 2HD LYS 54 HD1 LYS 54 149.770 5.653 17.003 448 1HE LYS 54 HE2 LYS 54 148.096 4.956 15.187 449 2HE LYS 54 HE1 LYS 54 147.379 3.934 16.431 450 1HZ LYS 54 HZ1 LYS 54 146.674 6.464 16.018 451 2HZ LYS 54 HZ2 LYS 54 147.869 6.692 17.192 452 3HZ LYS 54 HZ3 LYS 54 146.541 5.697 17.521 453 H GLY 55 HN GLY 55 154.236 1.680 14.482 454 1HA GLY 55 HA2 GLY 55 154.179 3.150 11.968 455 2HA GLY 55 HA1 GLY 55 155.152 1.731 12.321 456 H TYR 56 HN TYR 56 152.260 2.923 10.931 457 HA TYR 56 HA TYR 56 151.234 0.196 10.594 458 1HB TYR 56 HB2 TYR 56 149.113 1.250 9.907 459 2HB TYR 56 HB1 TYR 56 149.612 1.720 11.527 460 HD1 TYR 56 HD1 TYR 56 148.717 2.868 8.248 461 HD2 TYR 56 HD2 TYR 56 150.695 3.993 11.842 462 HE1 TYR 56 HE1 TYR 56 148.496 5.236 7.622 463 HE2 TYR 56 HE2 TYR 56 150.483 6.363 11.226 464 HH TYR 56 HH TYR 56 150.064 7.509 8.439 465 H GLU 57 HN GLU 57 151.656 -0.835 8.820 466 HA GLU 57 HA GLU 57 152.334 0.672 6.401 467 1HB GLU 57 HB2 GLU 57 152.720 -2.284 6.856 468 2HB GLU 57 HB1 GLU 57 153.478 -1.274 5.632 469 1HG GLU 57 HG2 GLU 57 154.443 -0.010 7.709 470 2HG GLU 57 HG1 GLU 57 154.094 -1.530 8.531 471 H TYR 58 HN TYR 58 151.078 0.631 4.644 472 HA TYR 58 HA TYR 58 148.757 -1.190 4.659 473 1HB TYR 58 HB2 TYR 58 148.767 1.587 4.679 474 2HB TYR 58 HB1 TYR 58 148.491 1.194 2.987 475 HD1 TYR 58 HD1 TYR 58 146.914 1.839 6.014 476 HD2 TYR 58 HD2 TYR 58 146.666 -0.750 2.650 477 HE1 TYR 58 HE1 TYR 58 144.537 1.439 6.505 478 HE2 TYR 58 HE2 TYR 58 144.291 -1.160 3.131 479 HH TYR 58 HH TYR 58 142.416 0.087 4.336 480 H GLN 59 HN GLN 59 149.806 -2.804 3.455 481 HA GLN 59 HA GLN 59 150.609 -2.067 0.723 482 1HB GLN 59 HB2 GLN 59 151.845 -4.168 0.664 483 2HB GLN 59 HB1 GLN 59 152.327 -3.218 2.062 484 1HG GLN 59 HG2 GLN 59 150.242 -4.822 2.970 485 2HG GLN 59 HG1 GLN 59 151.213 -5.868 1.933 486 1HE2 GLN 59 HE21 GLN 59 151.342 -3.691 4.692 487 2HE2 GLN 59 HE22 GLN 59 152.729 -4.410 5.429 488 H LEU 60 HN LEU 60 149.065 -2.376 -0.752 489 HA LEU 60 HA LEU 60 147.398 -4.751 -0.519 490 1HB LEU 60 HB2 LEU 60 146.266 -2.301 -1.772 491 2HB LEU 60 HB1 LEU 60 145.431 -3.642 -1.018 492 HG LEU 60 HG LEU 60 146.746 -1.282 0.303 493 1HD1 LEU 60 HD11 LEU 60 144.635 -0.762 1.075 494 2HD1 LEU 60 HD12 LEU 60 144.054 -2.418 0.912 495 3HD1 LEU 60 HD13 LEU 60 144.283 -1.419 -0.523 496 1HD2 LEU 60 HD21 LEU 60 145.639 -2.941 2.279 497 2HD2 LEU 60 HD22 LEU 60 147.332 -2.509 2.053 498 3HD2 LEU 60 HD23 LEU 60 146.686 -3.963 1.298 499 H TYR 61 HN TYR 61 146.151 -5.082 -2.746 500 HA TYR 61 HA TYR 61 148.199 -4.792 -4.845 501 1HB TYR 61 HB2 TYR 61 146.268 -6.976 -4.184 502 2HB TYR 61 HB1 TYR 61 146.762 -6.754 -5.859 503 HD1 TYR 61 HD1 TYR 61 148.070 -7.361 -2.439 504 HD2 TYR 61 HD2 TYR 61 148.818 -7.592 -6.620 505 HE1 TYR 61 HE1 TYR 61 150.111 -8.658 -1.995 506 HE2 TYR 61 HE2 TYR 61 150.862 -8.891 -6.189 507 HH TYR 61 HH TYR 61 151.836 -10.275 -4.478 508 H VAL 62 HN VAL 62 147.280 -4.628 -7.091 509 HA VAL 62 HA VAL 62 144.601 -3.496 -7.156 510 HB VAL 62 HB VAL 62 145.869 -1.530 -6.736 511 1HG1 VAL 62 HG11 VAL 62 147.644 -1.036 -8.700 512 2HG1 VAL 62 HG12 VAL 62 147.793 -2.788 -8.574 513 3HG1 VAL 62 HG13 VAL 62 148.069 -1.777 -7.157 514 1HG2 VAL 62 HG21 VAL 62 144.800 -0.322 -8.279 515 2HG2 VAL 62 HG22 VAL 62 144.312 -1.857 -8.997 516 3HG2 VAL 62 HG23 VAL 62 145.746 -1.022 -9.593 517 H TYR 63 HN TYR 63 143.553 -4.454 -8.731 518 HA TYR 63 HA TYR 63 144.974 -5.610 -10.981 519 1HB TYR 63 HB2 TYR 63 142.847 -6.538 -9.743 520 2HB TYR 63 HB1 TYR 63 141.984 -5.454 -10.827 521 HD1 TYR 63 HD1 TYR 63 145.005 -7.546 -11.446 522 HD2 TYR 63 HD2 TYR 63 140.915 -6.831 -12.369 523 HE1 TYR 63 HE1 TYR 63 145.117 -9.242 -13.221 524 HE2 TYR 63 HE2 TYR 63 141.013 -8.528 -14.147 525 HH TYR 63 HH TYR 63 143.981 -9.880 -15.232 526 H ALA 64 HN ALA 64 145.741 -3.318 -11.423 527 HA ALA 64 HA ALA 64 143.919 -1.441 -12.544 528 1HB ALA 64 HB1 ALA 64 146.223 -0.506 -13.437 529 2HB ALA 64 HB2 ALA 64 146.863 -1.641 -12.251 530 3HB ALA 64 HB3 ALA 64 145.756 -0.368 -11.744 531 H SER 65 HN SER 65 144.906 -0.487 -14.825 532 HA SER 65 HA SER 65 143.904 -2.268 -16.773 533 1HB SER 65 HB2 SER 65 144.798 -0.565 -18.407 534 2HB SER 65 HB1 SER 65 143.728 0.091 -17.167 535 HG SER 65 HG SER 65 145.386 1.084 -16.232 536 H ASP 66 HN ASP 66 147.218 -1.202 -16.052 537 HA ASP 66 HA ASP 66 148.533 -2.585 -18.037 538 1HB ASP 66 HB2 ASP 66 149.443 -0.876 -16.326 539 2HB ASP 66 HB1 ASP 66 149.725 -2.284 -15.306 540 H LYS 67 HN LYS 67 147.705 -3.629 -14.816 541 HA LYS 67 HA LYS 67 147.087 -6.237 -15.306 542 1HB LYS 67 HB2 LYS 67 149.275 -7.369 -14.506 543 2HB LYS 67 HB1 LYS 67 149.160 -6.856 -16.181 544 1HG LYS 67 HG2 LYS 67 150.769 -5.302 -15.959 545 2HG LYS 67 HG1 LYS 67 150.272 -4.866 -14.323 546 1HD LYS 67 HD2 LYS 67 151.589 -6.459 -13.349 547 2HD LYS 67 HD1 LYS 67 151.480 -7.549 -14.734 548 1HE LYS 67 HE2 LYS 67 152.891 -5.819 -15.977 549 2HE LYS 67 HE1 LYS 67 153.214 -5.120 -14.392 550 1HZ LYS 67 HZ1 LYS 67 153.630 -7.990 -14.668 551 2HZ LYS 67 HZ2 LYS 67 154.517 -6.848 -13.793 552 3HZ LYS 67 HZ3 LYS 67 154.736 -6.987 -15.464 553 H LEU 68 HN LEU 68 148.014 -7.692 -13.224 554 HA LEU 68 HA LEU 68 146.678 -6.537 -11.008 555 1HB LEU 68 HB2 LEU 68 147.536 -8.546 -9.780 556 2HB LEU 68 HB1 LEU 68 146.609 -8.897 -11.228 557 HG LEU 68 HG LEU 68 149.522 -8.727 -11.636 558 1HD1 LEU 68 HD11 LEU 68 148.489 -11.203 -10.315 559 2HD1 LEU 68 HD12 LEU 68 149.108 -9.864 -9.349 560 3HD1 LEU 68 HD13 LEU 68 150.152 -10.658 -10.527 561 1HD2 LEU 68 HD21 LEU 68 147.960 -11.107 -12.385 562 2HD2 LEU 68 HD22 LEU 68 149.085 -10.138 -13.337 563 3HD2 LEU 68 HD23 LEU 68 147.426 -9.585 -13.100 564 H PHE 69 HN PHE 69 148.040 -4.533 -11.052 565 HA PHE 69 HA PHE 69 150.726 -4.559 -10.191 566 1HB PHE 69 HB2 PHE 69 148.610 -2.555 -10.602 567 2HB PHE 69 HB1 PHE 69 149.788 -2.117 -9.372 568 HD1 PHE 69 HD1 PHE 69 151.443 -0.740 -10.137 569 HD2 PHE 69 HD2 PHE 69 149.904 -3.741 -12.731 570 HE1 PHE 69 HE1 PHE 69 153.007 -0.017 -11.893 571 HE2 PHE 69 HE2 PHE 69 151.463 -3.024 -14.493 572 HZ PHE 69 HZ PHE 69 153.017 -1.161 -14.075 573 H ARG 70 HN ARG 70 150.868 -2.824 -8.051 574 HA ARG 70 HA ARG 70 149.312 -3.486 -5.835 575 1HB ARG 70 HB2 ARG 70 150.308 -5.703 -6.048 576 2HB ARG 70 HB1 ARG 70 151.917 -5.000 -6.066 577 1HG ARG 70 HG2 ARG 70 151.013 -4.033 -3.724 578 2HG ARG 70 HG1 ARG 70 150.115 -5.550 -3.808 579 1HD ARG 70 HD2 ARG 70 151.984 -6.824 -3.615 580 2HD ARG 70 HD1 ARG 70 152.993 -5.666 -4.481 581 HE ARG 70 HE ARG 70 152.346 -4.482 -2.070 582 1HH1 ARG 70 HH11 ARG 70 154.025 -7.351 -3.132 583 2HH1 ARG 70 HH12 ARG 70 155.086 -7.388 -1.764 584 1HH2 ARG 70 HH21 ARG 70 153.738 -4.531 -0.269 585 2HH2 ARG 70 HH22 ARG 70 154.922 -5.789 -0.137 586 H ALA 71 HN ALA 71 149.886 -2.237 -4.019 587 HA ALA 71 HA ALA 71 152.331 -0.634 -4.336 588 1HB ALA 71 HB1 ALA 71 149.539 0.297 -4.090 589 2HB ALA 71 HB2 ALA 71 150.920 1.045 -4.891 590 3HB ALA 71 HB3 ALA 71 150.744 1.168 -3.142 591 H ASP 72 HN ASP 72 153.156 0.312 -2.312 592 HA ASP 72 HA ASP 72 152.103 -1.084 0.061 593 1HB ASP 72 HB2 ASP 72 154.170 -2.213 -0.971 594 2HB ASP 72 HB1 ASP 72 155.070 -0.809 -0.407 595 H ILE 73 HN ILE 73 151.866 0.182 1.776 596 HA ILE 73 HA ILE 73 153.229 2.793 1.778 597 HB ILE 73 HB ILE 73 150.541 2.219 3.020 598 1HG1 ILE 73 HG12 ILE 73 151.287 3.302 0.309 599 2HG1 ILE 73 HG11 ILE 73 150.139 2.031 0.703 600 1HG2 ILE 73 HG21 ILE 73 151.735 4.030 4.082 601 2HG2 ILE 73 HG22 ILE 73 150.399 4.683 3.136 602 3HG2 ILE 73 HG23 ILE 73 152.049 4.784 2.519 603 1HD1 ILE 73 HD11 ILE 73 148.640 3.651 0.294 604 2HD1 ILE 73 HD12 ILE 73 149.784 4.948 0.634 605 3HD1 ILE 73 HD13 ILE 73 148.985 4.107 1.962 606 H SER 74 HN SER 74 154.012 3.569 3.728 607 HA SER 74 HA SER 74 153.774 1.875 6.091 608 1HB SER 74 HB2 SER 74 156.244 1.922 6.439 609 2HB SER 74 HB1 SER 74 155.769 1.002 5.011 610 HG SER 74 HG SER 74 156.587 3.717 4.950 611 H GLU 75 HN GLU 75 153.727 3.022 7.955 612 HA GLU 75 HA GLU 75 154.601 5.820 7.860 613 1HB GLU 75 HB2 GLU 75 151.981 4.868 9.028 614 2HB GLU 75 HB1 GLU 75 152.592 6.517 9.081 615 1HG GLU 75 HG2 GLU 75 152.049 5.046 6.520 616 2HG GLU 75 HG1 GLU 75 150.853 6.050 7.334 617 H ASP 76 HN ASP 76 156.396 4.492 8.916 618 HA ASP 76 HA ASP 76 155.975 3.637 11.595 619 1HB ASP 76 HB2 ASP 76 158.167 3.582 9.650 620 2HB ASP 76 HB1 ASP 76 158.690 3.779 11.321 621 H TYR 77 HN TYR 77 158.025 4.454 13.076 622 HA TYR 77 HA TYR 77 158.160 7.365 12.993 623 1HB TYR 77 HB2 TYR 77 156.359 6.025 14.692 624 2HB TYR 77 HB1 TYR 77 157.685 6.564 15.718 625 HD1 TYR 77 HD1 TYR 77 154.590 7.473 14.466 626 HD2 TYR 77 HD2 TYR 77 158.473 9.079 15.126 627 HE1 TYR 77 HE1 TYR 77 153.639 9.742 14.490 628 HE2 TYR 77 HE2 TYR 77 157.535 11.353 15.154 629 HH TYR 77 HH TYR 77 155.532 12.530 14.281 630 H LYS 78 HN LYS 78 159.187 4.362 14.561 631 HA LYS 78 HA LYS 78 161.383 5.407 15.970 632 1HB LYS 78 HB2 LYS 78 160.325 3.065 16.144 633 2HB LYS 78 HB1 LYS 78 161.323 2.647 14.757 634 1HG LYS 78 HG2 LYS 78 162.864 2.069 16.256 635 2HG LYS 78 HG1 LYS 78 163.134 3.803 16.454 636 1HD LYS 78 HD2 LYS 78 162.704 3.383 18.622 637 2HD LYS 78 HD1 LYS 78 161.016 3.419 18.105 638 1HE LYS 78 HE2 LYS 78 160.778 1.161 18.260 639 2HE LYS 78 HE1 LYS 78 162.462 0.845 17.845 640 1HZ LYS 78 HZ1 LYS 78 162.051 0.276 20.135 641 2HZ LYS 78 HZ2 LYS 78 161.454 1.824 20.462 642 3HZ LYS 78 HZ3 LYS 78 163.087 1.611 20.073 643 H THR 79 HN THR 79 161.181 3.813 12.817 644 HA THR 79 HA THR 79 163.817 4.877 12.105 645 HB THR 79 HB THR 79 162.242 3.090 10.296 646 HG1 THR 79 HG1 THR 79 163.496 2.305 12.702 647 1HG2 THR 79 HG21 THR 79 164.684 2.063 10.287 648 2HG2 THR 79 HG22 THR 79 165.093 3.706 10.780 649 3HG2 THR 79 HG23 THR 79 164.227 3.428 9.268 650 H ARG 80 HN ARG 80 160.843 6.004 12.152 651 HA ARG 80 HA ARG 80 159.524 7.391 10.934 652 1HB ARG 80 HB2 ARG 80 160.623 9.361 10.142 653 2HB ARG 80 HB1 ARG 80 161.459 8.813 11.587 654 1HG ARG 80 HG2 ARG 80 163.380 8.455 10.494 655 2HG ARG 80 HG1 ARG 80 162.571 7.781 9.079 656 1HD ARG 80 HD2 ARG 80 161.924 10.079 8.414 657 2HD ARG 80 HD1 ARG 80 162.866 10.699 9.770 658 HE ARG 80 HE ARG 80 164.738 10.432 8.505 659 1HH1 ARG 80 HH11 ARG 80 162.251 8.350 7.215 660 2HH1 ARG 80 HH12 ARG 80 163.211 7.827 5.871 661 1HH2 ARG 80 HH21 ARG 80 166.001 9.747 6.740 662 2HH2 ARG 80 HH22 ARG 80 165.339 8.621 5.600 663 H GLY 81 HN GLY 81 159.492 5.090 9.641 664 1HA GLY 81 HA2 GLY 81 160.238 5.503 6.854 665 2HA GLY 81 HA1 GLY 81 159.551 4.039 7.544 666 H ARG 82 HN ARG 82 158.467 7.434 7.463 667 HA ARG 82 HA ARG 82 155.801 6.534 6.747 668 1HB ARG 82 HB2 ARG 82 156.973 8.955 7.932 669 2HB ARG 82 HB1 ARG 82 155.650 9.262 6.816 670 1HG ARG 82 HG2 ARG 82 154.167 7.883 8.100 671 2HG ARG 82 HG1 ARG 82 155.487 7.368 9.149 672 1HD ARG 82 HD2 ARG 82 155.500 9.313 10.317 673 2HD ARG 82 HD1 ARG 82 155.033 10.281 8.919 674 HE ARG 82 HE ARG 82 152.943 8.565 9.903 675 1HH1 ARG 82 HH11 ARG 82 154.470 11.689 10.215 676 2HH1 ARG 82 HH12 ARG 82 153.070 12.442 10.901 677 1HH2 ARG 82 HH21 ARG 82 151.102 9.557 10.803 678 2HH2 ARG 82 HH22 ARG 82 151.159 11.234 11.232 679 H LYS 83 HN LYS 83 155.430 6.145 4.656 680 HA LYS 83 HA LYS 83 155.346 8.071 2.707 681 1HB LYS 83 HB2 LYS 83 157.390 7.209 1.306 682 2HB LYS 83 HB1 LYS 83 157.597 8.472 2.510 683 1HG LYS 83 HG2 LYS 83 159.195 7.246 3.427 684 2HG LYS 83 HG1 LYS 83 157.968 6.069 3.893 685 1HD LYS 83 HD2 LYS 83 158.581 4.609 2.292 686 2HD LYS 83 HD1 LYS 83 158.869 5.879 1.100 687 1HE LYS 83 HE2 LYS 83 161.033 5.358 1.394 688 2HE LYS 83 HE1 LYS 83 160.891 6.326 2.861 689 1HZ LYS 83 HZ1 LYS 83 161.098 3.437 2.554 690 2HZ LYS 83 HZ2 LYS 83 160.068 3.988 3.778 691 3HZ LYS 83 HZ3 LYS 83 161.697 4.441 3.776 692 H LEU 84 HN LEU 84 154.301 7.376 0.959 693 HA LEU 84 HA LEU 84 153.895 4.479 0.659 694 1HB LEU 84 HB2 LEU 84 152.076 5.618 -1.026 695 2HB LEU 84 HB1 LEU 84 151.742 5.142 0.625 696 HG LEU 84 HG LEU 84 152.699 7.915 -0.012 697 1HD1 LEU 84 HD11 LEU 84 150.481 6.984 -1.202 698 2HD1 LEU 84 HD12 LEU 84 150.664 8.648 -0.648 699 3HD1 LEU 84 HD13 LEU 84 149.808 7.475 0.353 700 1HD2 LEU 84 HD21 LEU 84 152.059 8.442 2.114 701 2HD2 LEU 84 HD22 LEU 84 152.504 6.752 2.350 702 3HD2 LEU 84 HD23 LEU 84 150.809 7.199 2.165 703 H LEU 85 HN LEU 85 154.481 3.462 -1.273 704 HA LEU 85 HA LEU 85 155.350 5.129 -3.500 705 1HB LEU 85 HB2 LEU 85 157.551 3.667 -3.409 706 2HB LEU 85 HB1 LEU 85 157.404 5.188 -2.549 707 HG LEU 85 HG LEU 85 156.776 2.567 -1.203 708 1HD1 LEU 85 HD11 LEU 85 159.179 2.990 -0.243 709 2HD1 LEU 85 HD12 LEU 85 159.429 3.810 -1.783 710 3HD1 LEU 85 HD13 LEU 85 158.963 2.109 -1.755 711 1HD2 LEU 85 HD21 LEU 85 157.767 4.161 0.691 712 2HD2 LEU 85 HD22 LEU 85 156.064 4.155 0.252 713 3HD2 LEU 85 HD23 LEU 85 157.135 5.397 -0.396 714 H ARG 86 HN ARG 86 156.177 1.783 -2.608 715 HA ARG 86 HA ARG 86 156.315 0.407 -4.760 716 1HB ARG 86 HB2 ARG 86 154.953 -0.199 -2.252 717 2HB ARG 86 HB1 ARG 86 154.413 -1.202 -3.592 718 1HG ARG 86 HG2 ARG 86 157.094 -1.312 -3.928 719 2HG ARG 86 HG1 ARG 86 156.985 -1.150 -2.174 720 1HD ARG 86 HD2 ARG 86 155.097 -3.011 -2.563 721 2HD ARG 86 HD1 ARG 86 156.139 -3.367 -3.939 722 HE ARG 86 HE ARG 86 157.505 -3.119 -1.404 723 1HH1 ARG 86 HH11 ARG 86 155.938 -5.284 -3.653 724 2HH1 ARG 86 HH12 ARG 86 156.757 -6.689 -3.059 725 1HH2 ARG 86 HH21 ARG 86 158.579 -4.965 -0.625 726 2HH2 ARG 86 HH22 ARG 86 158.256 -6.509 -1.341 727 H PHE 87 HN PHE 87 155.403 0.047 -6.634 728 HA PHE 87 HA PHE 87 152.522 0.316 -6.986 729 1HB PHE 87 HB2 PHE 87 154.320 2.381 -7.680 730 2HB PHE 87 HB1 PHE 87 153.844 1.622 -9.192 731 HD1 PHE 87 HD1 PHE 87 152.036 2.522 -10.257 732 HD2 PHE 87 HD2 PHE 87 152.238 2.743 -6.013 733 HE1 PHE 87 HE1 PHE 87 149.931 3.795 -10.228 734 HE2 PHE 87 HE2 PHE 87 150.135 4.015 -5.976 735 HZ PHE 87 HZ PHE 87 148.977 4.543 -8.086 736 H ASN 88 HN ASN 88 153.890 -2.032 -6.976 737 HA ASN 88 HA ASN 88 153.482 -2.955 -9.691 738 1HB ASN 88 HB2 ASN 88 155.970 -2.224 -9.307 739 2HB ASN 88 HB1 ASN 88 156.081 -3.745 -8.427 740 1HD2 ASN 88 HD21 ASN 88 155.552 -2.253 -11.525 741 2HD2 ASN 88 HD22 ASN 88 155.811 -3.673 -12.476 742 H GLY 89 HN GLY 89 152.665 -4.978 -9.739 743 1HA GLY 89 HA2 GLY 89 152.628 -6.447 -7.178 744 2HA GLY 89 HA1 GLY 89 151.329 -6.489 -8.358 745 HA PRO 90 HA PRO 90 155.201 -9.472 -9.283 746 1HB PRO 90 HB2 PRO 90 154.190 -11.158 -7.046 747 2HB PRO 90 HB1 PRO 90 155.848 -10.892 -7.595 748 1HG PRO 90 HG2 PRO 90 154.952 -9.732 -5.372 749 2HG PRO 90 HG1 PRO 90 156.033 -8.866 -6.481 750 1HD PRO 90 HD2 PRO 90 153.086 -8.577 -6.090 751 2HD PRO 90 HD1 PRO 90 154.307 -7.335 -6.435 752 H VAL 91 HN VAL 91 154.837 -11.947 -9.734 753 HA VAL 91 HA VAL 91 152.019 -12.474 -10.354 754 HB VAL 91 HB VAL 91 153.023 -11.536 -12.391 755 1HG1 VAL 91 HG11 VAL 91 154.743 -12.987 -13.572 756 2HG1 VAL 91 HG12 VAL 91 155.005 -13.760 -12.010 757 3HG1 VAL 91 HG13 VAL 91 155.314 -12.035 -12.202 758 1HG2 VAL 91 HG21 VAL 91 151.920 -12.965 -13.744 759 2HG2 VAL 91 HG22 VAL 91 151.439 -13.706 -12.218 760 3HG2 VAL 91 HG23 VAL 91 152.786 -14.377 -13.138 Start of MODEL 5 1 1H GLY 1 HT1 GLY 1 152.658 -4.130 18.110 2 2H GLY 1 HT2 GLY 1 151.462 -5.217 17.614 3 3H GLY 1 HT3 GLY 1 151.294 -3.567 17.285 4 1HA GLY 1 HA1 GLY 1 152.581 -3.631 15.477 5 2HA GLY 1 HA2 GLY 1 153.730 -4.710 16.257 6 H GLU 2 HN GLU 2 150.322 -4.853 15.205 7 HA GLU 2 HA GLU 2 150.732 -6.792 13.223 8 1HB GLU 2 HB2 GLU 2 151.180 -8.043 15.492 9 2HB GLU 2 HB1 GLU 2 149.425 -8.078 15.588 10 1HG GLU 2 HG2 GLU 2 149.289 -9.275 13.504 11 2HG GLU 2 HG1 GLU 2 151.032 -9.141 13.276 12 H TRP 3 HN TRP 3 148.739 -7.560 12.279 13 HA TRP 3 HA TRP 3 146.182 -6.958 13.236 14 1HB TRP 3 HB2 TRP 3 147.546 -4.664 12.296 15 2HB TRP 3 HB1 TRP 3 146.331 -5.061 11.085 16 HD1 TRP 3 HD1 TRP 3 145.786 -5.598 14.855 17 HE1 TRP 3 HE1 TRP 3 143.850 -4.080 15.616 18 HE3 TRP 3 HE3 TRP 3 145.053 -2.983 10.524 19 HZ2 TRP 3 HZ2 TRP 3 142.229 -2.045 14.524 20 HZ3 TRP 3 HZ3 TRP 3 143.290 -1.268 10.465 21 HH2 TRP 3 HH2 TRP 3 141.907 -0.811 12.423 22 H GLU 4 HN GLU 4 148.252 -7.231 10.401 23 HA GLU 4 HA GLU 4 147.932 -8.150 8.337 24 1HB GLU 4 HB2 GLU 4 147.353 -10.442 8.378 25 2HB GLU 4 HB1 GLU 4 148.109 -10.107 9.926 26 1HG GLU 4 HG2 GLU 4 145.199 -9.814 9.938 27 2HG GLU 4 HG1 GLU 4 145.764 -11.440 9.565 28 H ILE 5 HN ILE 5 145.979 -9.595 7.126 29 HA ILE 5 HA ILE 5 144.227 -7.695 6.176 30 HB ILE 5 HB ILE 5 144.719 -9.776 4.985 31 1HG1 ILE 5 HG12 ILE 5 142.441 -10.249 4.169 32 2HG1 ILE 5 HG11 ILE 5 141.769 -9.422 5.571 33 1HG2 ILE 5 HG21 ILE 5 143.536 -11.857 5.635 34 2HG2 ILE 5 HG22 ILE 5 143.039 -11.064 7.129 35 3HG2 ILE 5 HG23 ILE 5 144.750 -11.341 6.805 36 1HD1 ILE 5 HD11 ILE 5 141.867 -7.494 4.500 37 2HD1 ILE 5 HD12 ILE 5 142.480 -8.337 3.077 38 3HD1 ILE 5 HD13 ILE 5 143.605 -7.683 4.266 39 H ILE 6 HN ILE 6 142.053 -7.219 6.514 40 HA ILE 6 HA ILE 6 140.722 -8.448 8.816 41 HB ILE 6 HB ILE 6 140.853 -5.453 8.474 42 1HG1 ILE 6 HG12 ILE 6 142.259 -7.111 10.571 43 2HG1 ILE 6 HG11 ILE 6 143.050 -6.518 9.113 44 1HG2 ILE 6 HG21 ILE 6 140.097 -6.702 11.035 45 2HG2 ILE 6 HG22 ILE 6 138.946 -6.885 9.712 46 3HG2 ILE 6 HG23 ILE 6 139.446 -5.276 10.228 47 1HD1 ILE 6 HD11 ILE 6 142.932 -5.224 11.520 48 2HD1 ILE 6 HD12 ILE 6 141.666 -4.428 10.585 49 3HD1 ILE 6 HD13 ILE 6 143.316 -4.484 9.966 50 H GLU 7 HN GLU 7 140.161 -5.691 6.617 51 HA GLU 7 HA GLU 7 137.514 -6.821 6.021 52 1HB GLU 7 HB2 GLU 7 138.494 -4.001 5.549 53 2HB GLU 7 HB1 GLU 7 136.844 -4.584 5.370 54 1HG GLU 7 HG2 GLU 7 136.428 -4.110 7.485 55 2HG GLU 7 HG1 GLU 7 137.716 -5.198 8.000 56 H ILE 8 HN ILE 8 136.720 -6.159 3.744 57 HA ILE 8 HA ILE 8 138.887 -6.374 1.778 58 HB ILE 8 HB ILE 8 137.967 -8.646 2.236 59 1HG1 ILE 8 HG12 ILE 8 137.829 -9.317 -0.057 60 2HG1 ILE 8 HG11 ILE 8 137.284 -7.722 -0.558 61 1HG2 ILE 8 HG21 ILE 8 135.434 -7.483 1.093 62 2HG2 ILE 8 HG22 ILE 8 135.679 -8.066 2.741 63 3HG2 ILE 8 HG23 ILE 8 135.725 -9.198 1.389 64 1HD1 ILE 8 HD11 ILE 8 139.672 -8.307 -1.081 65 2HD1 ILE 8 HD12 ILE 8 139.985 -8.208 0.652 66 3HD1 ILE 8 HD13 ILE 8 139.420 -6.786 -0.225 67 H GLY 9 HN GLY 9 136.571 -4.451 2.781 68 1HA GLY 9 HA2 GLY 9 135.404 -3.912 0.136 69 2HA GLY 9 HA1 GLY 9 134.764 -3.334 1.664 70 HA PRO 10 HA PRO 10 136.653 0.564 0.772 71 1HB PRO 10 HB2 PRO 10 136.952 1.507 3.325 72 2HB PRO 10 HB1 PRO 10 135.420 1.517 2.446 73 1HG PRO 10 HG2 PRO 10 136.418 -0.422 4.494 74 2HG PRO 10 HG1 PRO 10 134.798 0.278 4.308 75 1HD PRO 10 HD2 PRO 10 135.372 -2.220 3.484 76 2HD PRO 10 HD1 PRO 10 134.225 -1.183 2.609 77 H PHE 11 HN PHE 11 138.098 -1.595 3.138 78 HA PHE 11 HA PHE 11 140.524 -0.361 3.570 79 1HB PHE 11 HB2 PHE 11 139.763 -2.346 4.801 80 2HB PHE 11 HB1 PHE 11 139.979 -3.326 3.355 81 HD1 PHE 11 HD1 PHE 11 142.374 -3.334 2.339 82 HD2 PHE 11 HD2 PHE 11 141.473 -2.196 6.339 83 HE1 PHE 11 HE1 PHE 11 144.705 -3.781 2.986 84 HE2 PHE 11 HE2 PHE 11 143.804 -2.640 6.994 85 HZ PHE 11 HZ PHE 11 145.421 -3.434 5.314 86 H THR 12 HN THR 12 139.625 -2.603 0.970 87 HA THR 12 HA THR 12 142.193 -2.615 -0.241 88 HB THR 12 HB THR 12 140.388 -3.329 -2.211 89 HG1 THR 12 HG1 THR 12 138.902 -4.665 -1.061 90 1HG2 THR 12 HG21 THR 12 141.405 -5.304 -2.087 91 2HG2 THR 12 HG22 THR 12 140.952 -5.525 -0.399 92 3HG2 THR 12 HG23 THR 12 142.381 -4.581 -0.811 93 H GLN 13 HN GLN 13 139.113 -1.238 -1.428 94 HA GLN 13 HA GLN 13 140.139 0.208 -3.542 95 1HB GLN 13 HB2 GLN 13 138.148 1.577 -3.443 96 2HB GLN 13 HB1 GLN 13 137.726 -0.090 -3.081 97 1HG GLN 13 HG2 GLN 13 136.823 0.514 -1.162 98 2HG GLN 13 HG1 GLN 13 138.337 1.257 -0.645 99 1HE2 GLN 13 HE21 GLN 13 138.717 3.417 -1.946 100 2HE2 GLN 13 HE22 GLN 13 137.379 4.508 -1.902 101 H ASN 14 HN ASN 14 140.365 0.854 -0.146 102 HA ASN 14 HA ASN 14 140.847 3.565 -0.067 103 1HB ASN 14 HB2 ASN 14 141.250 1.316 1.663 104 2HB ASN 14 HB1 ASN 14 142.689 2.330 1.716 105 1HD2 ASN 14 HD21 ASN 14 139.640 1.848 2.950 106 2HD2 ASN 14 HD22 ASN 14 139.403 3.388 3.697 107 H LEU 15 HN LEU 15 143.390 1.051 -0.187 108 HA LEU 15 HA LEU 15 145.538 2.712 -0.686 109 1HB LEU 15 HB2 LEU 15 145.360 0.091 -0.411 110 2HB LEU 15 HB1 LEU 15 145.355 0.118 -2.163 111 HG LEU 15 HG LEU 15 147.595 -0.210 -1.672 112 1HD1 LEU 15 HD11 LEU 15 147.262 1.743 -3.160 113 2HD1 LEU 15 HD12 LEU 15 148.779 1.784 -2.262 114 3HD1 LEU 15 HD13 LEU 15 147.425 2.795 -1.754 115 1HD2 LEU 15 HD21 LEU 15 148.786 1.104 0.102 116 2HD2 LEU 15 HD22 LEU 15 147.560 -0.019 0.693 117 3HD2 LEU 15 HD23 LEU 15 147.210 1.708 0.613 118 H GLY 16 HN GLY 16 143.021 1.580 -2.829 119 1HA GLY 16 HA2 GLY 16 144.142 2.236 -5.307 120 2HA GLY 16 HA1 GLY 16 142.421 2.244 -4.947 121 H LYS 17 HN LYS 17 142.354 4.270 -3.007 122 HA LYS 17 HA LYS 17 142.245 6.566 -4.644 123 1HB LYS 17 HB2 LYS 17 140.857 6.260 -2.629 124 2HB LYS 17 HB1 LYS 17 142.295 6.393 -1.625 125 1HG LYS 17 HG2 LYS 17 142.463 8.688 -3.041 126 2HG LYS 17 HG1 LYS 17 140.712 8.479 -2.952 127 1HD LYS 17 HD2 LYS 17 142.153 8.003 -0.433 128 2HD LYS 17 HD1 LYS 17 142.223 9.662 -1.030 129 1HE LYS 17 HE2 LYS 17 140.044 10.034 -0.613 130 2HE LYS 17 HE1 LYS 17 139.564 8.428 -1.160 131 1HZ LYS 17 HZ1 LYS 17 139.698 7.590 0.909 132 2HZ LYS 17 HZ2 LYS 17 139.481 9.199 1.379 133 3HZ LYS 17 HZ3 LYS 17 141.034 8.531 1.343 134 H PHE 18 HN PHE 18 144.411 5.860 -1.898 135 HA PHE 18 HA PHE 18 146.142 8.040 -2.472 136 1HB PHE 18 HB2 PHE 18 145.866 6.054 -0.417 137 2HB PHE 18 HB1 PHE 18 147.549 6.135 -0.928 138 HD1 PHE 18 HD1 PHE 18 147.959 8.927 -1.530 139 HD2 PHE 18 HD2 PHE 18 145.694 7.144 1.601 140 HE1 PHE 18 HE1 PHE 18 148.280 10.942 -0.156 141 HE2 PHE 18 HE2 PHE 18 146.012 9.156 2.981 142 HZ PHE 18 HZ PHE 18 147.305 11.058 2.104 143 H ALA 19 HN ALA 19 145.765 5.055 -3.942 144 HA ALA 19 HA ALA 19 148.442 4.397 -4.568 145 1HB ALA 19 HB1 ALA 19 145.777 3.515 -5.406 146 2HB ALA 19 HB2 ALA 19 147.238 2.579 -5.092 147 3HB ALA 19 HB3 ALA 19 147.014 3.368 -6.654 148 H VAL 20 HN VAL 20 145.921 5.995 -6.523 149 HA VAL 20 HA VAL 20 147.717 6.688 -8.620 150 HB VAL 20 HB VAL 20 145.299 6.468 -9.000 151 1HG1 VAL 20 HG11 VAL 20 143.701 7.663 -7.946 152 2HG1 VAL 20 HG12 VAL 20 144.685 9.124 -7.879 153 3HG1 VAL 20 HG13 VAL 20 144.944 7.832 -6.708 154 1HG2 VAL 20 HG21 VAL 20 146.982 8.232 -10.170 155 2HG2 VAL 20 HG22 VAL 20 145.688 9.312 -9.651 156 3HG2 VAL 20 HG23 VAL 20 145.326 7.944 -10.703 157 H ASP 21 HN ASP 21 146.625 8.294 -5.699 158 HA ASP 21 HA ASP 21 147.630 10.874 -6.382 159 1HB ASP 21 HB2 ASP 21 145.905 10.106 -4.529 160 2HB ASP 21 HB1 ASP 21 147.354 10.016 -3.532 161 H GLU 22 HN GLU 22 149.007 8.025 -4.899 162 HA GLU 22 HA GLU 22 151.488 9.507 -4.373 163 1HB GLU 22 HB2 GLU 22 150.136 7.750 -2.757 164 2HB GLU 22 HB1 GLU 22 151.377 6.723 -3.462 165 1HG GLU 22 HG2 GLU 22 152.911 7.568 -2.114 166 2HG GLU 22 HG1 GLU 22 152.536 9.206 -2.644 167 H GLU 23 HN GLU 23 150.103 7.518 -6.681 168 HA GLU 23 HA GLU 23 152.081 5.738 -7.432 169 1HB GLU 23 HB2 GLU 23 149.920 5.732 -8.516 170 2HB GLU 23 HB1 GLU 23 150.189 7.348 -9.155 171 1HG GLU 23 HG2 GLU 23 152.116 5.215 -9.892 172 2HG GLU 23 HG1 GLU 23 150.515 5.188 -10.630 173 H ASN 24 HN ASN 24 151.972 9.183 -7.715 174 HA ASN 24 HA ASN 24 153.988 9.493 -9.686 175 1HB ASN 24 HB2 ASN 24 152.630 11.281 -7.712 176 2HB ASN 24 HB1 ASN 24 154.098 11.852 -8.501 177 1HD2 ASN 24 HD21 ASN 24 151.254 9.993 -9.538 178 2HD2 ASN 24 HD22 ASN 24 150.886 10.995 -10.897 179 H LYS 25 HN LYS 25 154.121 8.656 -6.364 180 HA LYS 25 HA LYS 25 156.714 9.743 -5.823 181 1HB LYS 25 HB2 LYS 25 154.683 8.319 -4.355 182 2HB LYS 25 HB1 LYS 25 156.257 7.598 -4.058 183 1HG LYS 25 HG2 LYS 25 156.836 10.238 -3.819 184 2HG LYS 25 HG1 LYS 25 155.177 10.187 -3.218 185 1HD LYS 25 HD2 LYS 25 155.742 8.600 -1.544 186 2HD LYS 25 HD1 LYS 25 157.325 8.304 -2.265 187 1HE LYS 25 HE2 LYS 25 156.597 11.049 -1.335 188 2HE LYS 25 HE1 LYS 25 157.114 9.834 -0.166 189 1HZ LYS 25 HZ1 LYS 25 158.731 10.331 -2.576 190 2HZ LYS 25 HZ2 LYS 25 159.214 9.734 -1.069 191 3HZ LYS 25 HZ3 LYS 25 158.855 11.378 -1.252 192 H ILE 26 HN ILE 26 155.954 6.287 -5.497 193 HA ILE 26 HA ILE 26 158.430 5.264 -5.917 194 HB ILE 26 HB ILE 26 156.421 3.947 -5.321 195 1HG1 ILE 26 HG12 ILE 26 158.602 2.926 -6.111 196 2HG1 ILE 26 HG11 ILE 26 157.184 1.896 -6.246 197 1HG2 ILE 26 HG21 ILE 26 154.776 3.331 -6.806 198 2HG2 ILE 26 HG22 ILE 26 155.788 3.620 -8.220 199 3HG2 ILE 26 HG23 ILE 26 155.124 4.981 -7.317 200 1HD1 ILE 26 HD11 ILE 26 157.317 3.168 -8.697 201 2HD1 ILE 26 HD12 ILE 26 157.821 1.519 -8.333 202 3HD1 ILE 26 HD13 ILE 26 158.999 2.832 -8.289 203 H GLY 27 HN GLY 27 156.162 6.274 -8.431 204 1HA GLY 27 HA2 GLY 27 158.098 5.514 -10.499 205 2HA GLY 27 HA1 GLY 27 156.423 5.968 -10.774 206 H GLN 28 HN GLN 28 158.772 6.971 -12.123 207 HA GLN 28 HA GLN 28 159.398 9.572 -11.143 208 1HB GLN 28 HB2 GLN 28 159.925 8.057 -13.659 209 2HB GLN 28 HB1 GLN 28 160.148 9.800 -13.672 210 1HG GLN 28 HG2 GLN 28 161.964 9.723 -12.324 211 2HG GLN 28 HG1 GLN 28 161.394 8.302 -11.449 212 1HE2 GLN 28 HE21 GLN 28 163.867 9.228 -13.150 213 2HE2 GLN 28 HE22 GLN 28 164.240 7.801 -14.050 214 H TYR 29 HN TYR 29 157.303 8.379 -13.752 215 HA TYR 29 HA TYR 29 156.008 11.025 -13.816 216 1HB TYR 29 HB2 TYR 29 157.188 9.874 -15.915 217 2HB TYR 29 HB1 TYR 29 155.617 9.088 -16.045 218 HD1 TYR 29 HD1 TYR 29 157.495 11.894 -16.992 219 HD2 TYR 29 HD2 TYR 29 153.554 10.738 -15.888 220 HE1 TYR 29 HE1 TYR 29 156.601 13.884 -18.127 221 HE2 TYR 29 HE2 TYR 29 152.646 12.724 -17.021 222 HH TYR 29 HH TYR 29 154.121 14.419 -19.226 223 H GLY 30 HN GLY 30 153.780 11.161 -13.716 224 1HA GLY 30 HA2 GLY 30 152.461 8.749 -12.690 225 2HA GLY 30 HA1 GLY 30 151.900 10.401 -12.471 226 H ARG 31 HN ARG 31 150.574 7.924 -13.521 227 HA ARG 31 HA ARG 31 149.363 9.205 -15.835 228 1HB ARG 31 HB2 ARG 31 149.585 7.297 -17.286 229 2HB ARG 31 HB1 ARG 31 151.185 7.758 -16.727 230 1HG ARG 31 HG2 ARG 31 151.301 5.923 -15.245 231 2HG ARG 31 HG1 ARG 31 149.583 5.569 -15.435 232 1HD ARG 31 HD2 ARG 31 149.898 4.821 -17.666 233 2HD ARG 31 HD1 ARG 31 151.549 5.442 -17.710 234 HE ARG 31 HE ARG 31 151.118 3.449 -15.684 235 1HH1 ARG 31 HH11 ARG 31 151.903 3.990 -19.042 236 2HH1 ARG 31 HH12 ARG 31 152.718 2.472 -19.226 237 1HH2 ARG 31 HH21 ARG 31 152.190 1.453 -15.924 238 2HH2 ARG 31 HH22 ARG 31 152.881 1.032 -17.457 239 H LEU 32 HN LEU 32 147.768 7.069 -16.667 240 HA LEU 32 HA LEU 32 145.729 7.135 -14.690 241 1HB LEU 32 HB2 LEU 32 145.373 7.018 -17.173 242 2HB LEU 32 HB1 LEU 32 145.881 5.341 -17.109 243 HG LEU 32 HG LEU 32 143.653 6.156 -15.319 244 1HD1 LEU 32 HD11 LEU 32 143.572 6.292 -18.269 245 2HD1 LEU 32 HD12 LEU 32 142.604 7.141 -17.064 246 3HD1 LEU 32 HD13 LEU 32 142.230 5.469 -17.477 247 1HD2 LEU 32 HD21 LEU 32 144.852 3.805 -15.830 248 2HD2 LEU 32 HD22 LEU 32 143.562 3.756 -17.031 249 3HD2 LEU 32 HD23 LEU 32 143.170 3.952 -15.323 250 H THR 33 HN THR 33 145.221 5.727 -13.128 251 HA THR 33 HA THR 33 146.197 2.994 -13.191 252 HB THR 33 HB THR 33 146.985 4.878 -10.953 253 HG1 THR 33 HG1 THR 33 148.693 3.579 -12.794 254 1HG2 THR 33 HG21 THR 33 148.578 2.707 -10.697 255 2HG2 THR 33 HG22 THR 33 147.058 1.963 -11.193 256 3HG2 THR 33 HG23 THR 33 147.111 2.995 -9.764 257 H PHE 34 HN PHE 34 143.616 4.578 -13.057 258 HA PHE 34 HA PHE 34 142.568 3.574 -10.504 259 1HB PHE 34 HB2 PHE 34 142.282 6.040 -11.508 260 2HB PHE 34 HB1 PHE 34 140.885 5.278 -12.263 261 HD1 PHE 34 HD1 PHE 34 142.390 6.365 -9.124 262 HD2 PHE 34 HD2 PHE 34 139.035 4.462 -10.925 263 HE1 PHE 34 HE1 PHE 34 141.117 6.639 -7.037 264 HE2 PHE 34 HE2 PHE 34 137.757 4.735 -8.841 265 HZ PHE 34 HZ PHE 34 138.798 5.825 -6.892 266 H ASN 35 HN ASN 35 142.812 1.426 -11.715 267 HA ASN 35 HA ASN 35 140.512 0.895 -13.452 268 1HB ASN 35 HB2 ASN 35 143.203 -0.084 -13.369 269 2HB ASN 35 HB1 ASN 35 142.100 -1.439 -13.153 270 1HD2 ASN 35 HD21 ASN 35 141.524 -2.387 -14.955 271 2HD2 ASN 35 HD22 ASN 35 141.392 -1.642 -16.509 272 H LYS 36 HN LYS 36 142.151 -1.272 -11.166 273 HA LYS 36 HA LYS 36 139.739 -1.471 -9.547 274 1HB LYS 36 HB2 LYS 36 140.901 -3.776 -11.107 275 2HB LYS 36 HB1 LYS 36 139.840 -4.001 -9.724 276 1HG LYS 36 HG2 LYS 36 138.200 -3.999 -11.235 277 2HG LYS 36 HG1 LYS 36 138.406 -2.246 -11.231 278 1HD LYS 36 HD2 LYS 36 139.752 -2.299 -13.171 279 2HD LYS 36 HD1 LYS 36 139.970 -4.047 -13.062 280 1HE LYS 36 HE2 LYS 36 137.282 -2.765 -13.484 281 2HE LYS 36 HE1 LYS 36 138.342 -3.214 -14.820 282 1HZ LYS 36 HZ1 LYS 36 137.479 -5.142 -12.741 283 2HZ LYS 36 HZ2 LYS 36 138.204 -5.479 -14.231 284 3HZ LYS 36 HZ3 LYS 36 136.616 -4.897 -14.175 285 H VAL 37 HN VAL 37 140.853 -0.729 -7.771 286 HA VAL 37 HA VAL 37 143.304 -2.094 -6.973 287 HB VAL 37 HB VAL 37 141.893 0.340 -5.885 288 1HG1 VAL 37 HG11 VAL 37 144.297 0.358 -4.638 289 2HG1 VAL 37 HG12 VAL 37 143.938 -1.368 -4.643 290 3HG1 VAL 37 HG13 VAL 37 142.804 -0.232 -3.911 291 1HG2 VAL 37 HG21 VAL 37 144.610 0.782 -6.589 292 2HG2 VAL 37 HG22 VAL 37 143.157 1.453 -7.328 293 3HG2 VAL 37 HG23 VAL 37 143.827 -0.065 -7.922 294 H ILE 38 HN ILE 38 142.756 -4.081 -6.148 295 HA ILE 38 HA ILE 38 141.516 -4.076 -3.560 296 HB ILE 38 HB ILE 38 139.816 -5.828 -4.159 297 1HG1 ILE 38 HG12 ILE 38 139.860 -4.872 -6.975 298 2HG1 ILE 38 HG11 ILE 38 141.093 -6.041 -6.513 299 1HG2 ILE 38 HG21 ILE 38 139.411 -3.311 -3.884 300 2HG2 ILE 38 HG22 ILE 38 138.160 -4.276 -4.664 301 3HG2 ILE 38 HG23 ILE 38 139.249 -3.289 -5.638 302 1HD1 ILE 38 HD11 ILE 38 138.551 -6.904 -5.537 303 2HD1 ILE 38 HD12 ILE 38 139.636 -7.691 -6.682 304 3HD1 ILE 38 HD13 ILE 38 138.438 -6.533 -7.258 305 H LYS 39 HN LYS 39 140.961 -7.130 -4.625 306 HA LYS 39 HA LYS 39 142.004 -9.124 -4.505 307 1HB LYS 39 HB2 LYS 39 144.115 -7.326 -5.414 308 2HB LYS 39 HB1 LYS 39 144.726 -8.717 -4.528 309 1HG LYS 39 HG2 LYS 39 144.716 -9.497 -6.687 310 2HG LYS 39 HG1 LYS 39 143.159 -10.074 -6.091 311 1HD LYS 39 HD2 LYS 39 142.017 -8.806 -7.539 312 2HD LYS 39 HD1 LYS 39 143.024 -7.391 -7.226 313 1HE LYS 39 HE2 LYS 39 143.188 -8.108 -9.557 314 2HE LYS 39 HE1 LYS 39 144.734 -8.260 -8.726 315 1HZ LYS 39 HZ1 LYS 39 143.668 -10.687 -8.337 316 2HZ LYS 39 HZ2 LYS 39 144.711 -10.304 -9.611 317 3HZ LYS 39 HZ3 LYS 39 143.039 -10.309 -9.861 318 HA PRO 40 HA PRO 40 143.026 -10.240 -0.399 319 1HB PRO 40 HB2 PRO 40 145.638 -11.309 -1.380 320 2HB PRO 40 HB1 PRO 40 144.421 -12.079 -0.355 321 1HG PRO 40 HG2 PRO 40 144.626 -12.730 -2.924 322 2HG PRO 40 HG1 PRO 40 143.037 -12.585 -2.149 323 1HD PRO 40 HD2 PRO 40 144.396 -10.738 -4.049 324 2HD PRO 40 HD1 PRO 40 142.668 -11.084 -3.851 325 H CYS 41 HN CYS 41 143.295 -8.032 0.242 326 HA CYS 41 HA CYS 41 145.927 -6.853 0.212 327 1HB CYS 41 HB2 CYS 41 144.833 -5.018 1.483 328 2HB CYS 41 HB1 CYS 41 144.024 -5.394 -0.033 329 HG CYS 41 HG CYS 41 142.124 -5.212 1.616 330 H MET 42 HN MET 42 146.372 -5.680 2.530 331 HA MET 42 HA MET 42 145.907 -7.138 4.878 332 1HB MET 42 HB2 MET 42 147.247 -8.879 3.794 333 2HB MET 42 HB1 MET 42 148.556 -7.732 3.546 334 1HG MET 42 HG2 MET 42 148.687 -7.479 6.031 335 2HG MET 42 HG1 MET 42 147.537 -8.809 6.160 336 1HE MET 42 HE1 MET 42 148.079 -11.145 4.662 337 2HE MET 42 HE2 MET 42 149.706 -11.534 4.104 338 3HE MET 42 HE3 MET 42 148.795 -10.239 3.329 339 H LYS 43 HN LYS 43 146.870 -6.187 6.697 340 HA LYS 43 HA LYS 43 148.559 -3.833 6.180 341 1HB LYS 43 HB2 LYS 43 145.870 -3.855 7.178 342 2HB LYS 43 HB1 LYS 43 146.942 -3.280 8.446 343 1HG LYS 43 HG2 LYS 43 147.495 -2.090 5.843 344 2HG LYS 43 HG1 LYS 43 145.870 -1.758 6.441 345 1HD LYS 43 HD2 LYS 43 148.077 -1.468 8.387 346 2HD LYS 43 HD1 LYS 43 148.015 -0.275 7.088 347 1HE LYS 43 HE2 LYS 43 146.520 0.818 8.326 348 2HE LYS 43 HE1 LYS 43 145.387 -0.476 7.932 349 1HZ LYS 43 HZ1 LYS 43 145.283 -0.642 10.160 350 2HZ LYS 43 HZ2 LYS 43 146.801 0.061 10.413 351 3HZ LYS 43 HZ3 LYS 43 146.687 -1.569 9.975 352 H LYS 44 HN LYS 44 149.370 -2.957 8.419 353 HA LYS 44 HA LYS 44 149.767 -4.903 10.480 354 1HB LYS 44 HB2 LYS 44 151.807 -4.532 8.372 355 2HB LYS 44 HB1 LYS 44 152.407 -4.526 10.024 356 1HG LYS 44 HG2 LYS 44 152.234 -6.731 10.175 357 2HG LYS 44 HG1 LYS 44 150.557 -6.696 9.623 358 1HD LYS 44 HD2 LYS 44 151.259 -7.693 7.756 359 2HD LYS 44 HD1 LYS 44 152.057 -6.177 7.337 360 1HE LYS 44 HE2 LYS 44 153.221 -8.601 8.677 361 2HE LYS 44 HE1 LYS 44 153.725 -7.830 7.175 362 1HZ LYS 44 HZ1 LYS 44 154.071 -5.827 8.880 363 2HZ LYS 44 HZ2 LYS 44 155.284 -6.949 8.514 364 3HZ LYS 44 HZ3 LYS 44 154.361 -7.129 9.921 365 H THR 45 HN THR 45 148.917 -3.165 11.701 366 HA THR 45 HA THR 45 150.200 -0.640 11.788 367 HB THR 45 HB THR 45 148.291 -1.758 13.830 368 HG1 THR 45 HG1 THR 45 147.301 -2.001 11.856 369 1HG2 THR 45 HG21 THR 45 147.818 0.958 13.147 370 2HG2 THR 45 HG22 THR 45 149.518 0.764 13.576 371 3HG2 THR 45 HG23 THR 45 148.262 0.265 14.707 372 H ILE 46 HN ILE 46 151.430 0.261 13.476 373 HA ILE 46 HA ILE 46 152.452 -1.599 15.505 374 HB ILE 46 HB ILE 46 154.214 0.099 13.732 375 1HG1 ILE 46 HG12 ILE 46 155.198 -2.361 13.453 376 2HG1 ILE 46 HG11 ILE 46 153.536 -2.799 13.833 377 1HG2 ILE 46 HG21 ILE 46 154.984 -1.706 16.023 378 2HG2 ILE 46 HG22 ILE 46 154.990 0.058 16.062 379 3HG2 ILE 46 HG23 ILE 46 156.089 -0.805 14.985 380 1HD1 ILE 46 HD11 ILE 46 154.537 -1.165 11.529 381 2HD1 ILE 46 HD12 ILE 46 152.836 -1.249 11.982 382 3HD1 ILE 46 HD13 ILE 46 153.689 -2.711 11.490 383 H TYR 47 HN TYR 47 151.192 -0.416 17.000 384 HA TYR 47 HA TYR 47 152.095 2.341 17.478 385 1HB TYR 47 HB2 TYR 47 150.024 2.651 18.756 386 2HB TYR 47 HB1 TYR 47 149.676 2.109 17.118 387 HD1 TYR 47 HD1 TYR 47 149.057 -0.299 16.738 388 HD2 TYR 47 HD2 TYR 47 149.322 1.396 20.632 389 HE1 TYR 47 HE1 TYR 47 147.723 -2.161 17.632 390 HE2 TYR 47 HE2 TYR 47 147.990 -0.462 21.538 391 HH TYR 47 HH TYR 47 146.098 -2.291 19.999 392 H GLU 48 HN GLU 48 152.872 2.968 19.457 393 HA GLU 48 HA GLU 48 154.012 0.905 21.067 394 1HB GLU 48 HB2 GLU 48 155.261 2.938 20.675 395 2HB GLU 48 HB1 GLU 48 153.985 3.894 21.413 396 1HG GLU 48 HG2 GLU 48 155.650 3.735 23.045 397 2HG GLU 48 HG1 GLU 48 154.423 2.567 23.533 398 H ASN 49 HN ASN 49 152.336 3.693 22.314 399 HA ASN 49 HA ASN 49 150.187 2.286 23.506 400 1HB ASN 49 HB2 ASN 49 152.578 1.997 24.897 401 2HB ASN 49 HB1 ASN 49 151.740 3.282 25.763 402 1HD2 ASN 49 HD21 ASN 49 150.903 0.196 24.214 403 2HD2 ASN 49 HD22 ASN 49 149.946 -0.395 25.525 404 H GLU 50 HN GLU 50 152.337 5.015 24.302 405 HA GLU 50 HA GLU 50 149.981 6.730 24.596 406 1HB GLU 50 HB2 GLU 50 152.779 6.810 25.612 407 2HB GLU 50 HB1 GLU 50 151.974 8.348 25.333 408 1HG GLU 50 HG2 GLU 50 150.231 6.571 26.754 409 2HG GLU 50 HG1 GLU 50 151.785 6.689 27.578 410 H ARG 51 HN ARG 51 150.779 5.862 22.003 411 HA ARG 51 HA ARG 51 151.029 6.683 19.901 412 1HB ARG 51 HB2 ARG 51 150.298 9.085 21.480 413 2HB ARG 51 HB1 ARG 51 151.015 9.377 19.903 414 1HG ARG 51 HG2 ARG 51 149.288 7.961 18.878 415 2HG ARG 51 HG1 ARG 51 148.551 7.744 20.467 416 1HD ARG 51 HD2 ARG 51 148.981 10.419 19.149 417 2HD ARG 51 HD1 ARG 51 147.477 9.504 19.058 418 HE ARG 51 HE ARG 51 147.908 9.684 21.714 419 1HH1 ARG 51 HH11 ARG 51 147.861 12.063 19.162 420 2HH1 ARG 51 HH12 ARG 51 147.313 13.341 20.193 421 1HH2 ARG 51 HH21 ARG 51 147.187 11.363 23.072 422 2HH2 ARG 51 HH22 ARG 51 146.931 12.945 22.414 423 H GLU 52 HN GLU 52 153.327 5.867 20.990 424 HA GLU 52 HA GLU 52 155.296 7.992 20.695 425 1HB GLU 52 HB2 GLU 52 155.364 5.218 21.789 426 2HB GLU 52 HB1 GLU 52 156.867 5.956 21.254 427 1HG GLU 52 HG2 GLU 52 155.194 7.610 23.020 428 2HG GLU 52 HG1 GLU 52 155.881 6.160 23.750 429 H ILE 53 HN ILE 53 153.945 5.443 18.893 430 HA ILE 53 HA ILE 53 155.798 6.007 16.725 431 HB ILE 53 HB ILE 53 156.838 4.063 17.424 432 1HG1 ILE 53 HG12 ILE 53 154.766 3.095 15.450 433 2HG1 ILE 53 HG11 ILE 53 156.240 3.961 15.037 434 1HG2 ILE 53 HG21 ILE 53 154.598 2.226 17.659 435 2HG2 ILE 53 HG22 ILE 53 154.562 3.539 18.835 436 3HG2 ILE 53 HG23 ILE 53 155.973 2.491 18.730 437 1HD1 ILE 53 HD11 ILE 53 156.399 1.413 16.577 438 2HD1 ILE 53 HD12 ILE 53 157.582 2.153 15.500 439 3HD1 ILE 53 HD13 ILE 53 156.144 1.381 14.831 440 H LYS 54 HN LYS 54 153.319 3.581 17.081 441 HA LYS 54 HA LYS 54 151.419 3.128 15.916 442 1HB LYS 54 HB2 LYS 54 151.374 5.955 16.558 443 2HB LYS 54 HB1 LYS 54 150.474 5.619 15.087 444 1HG LYS 54 HG2 LYS 54 149.217 3.870 16.329 445 2HG LYS 54 HG1 LYS 54 150.041 4.392 17.799 446 1HD LYS 54 HD2 LYS 54 149.150 6.752 17.095 447 2HD LYS 54 HD1 LYS 54 147.985 5.810 16.164 448 1HE LYS 54 HE2 LYS 54 148.218 4.733 18.812 449 2HE LYS 54 HE1 LYS 54 147.893 6.464 18.899 450 1HZ LYS 54 HZ1 LYS 54 146.302 4.818 17.063 451 2HZ LYS 54 HZ2 LYS 54 145.871 6.228 17.891 452 3HZ LYS 54 HZ3 LYS 54 145.953 4.754 18.718 453 H GLY 55 HN GLY 55 153.129 2.346 14.309 454 1HA GLY 55 HA2 GLY 55 153.067 3.927 11.835 455 2HA GLY 55 HA1 GLY 55 154.170 2.602 12.165 456 H TYR 56 HN TYR 56 151.652 3.456 10.309 457 HA TYR 56 HA TYR 56 150.440 0.786 10.334 458 1HB TYR 56 HB2 TYR 56 148.666 1.887 8.898 459 2HB TYR 56 HB1 TYR 56 148.768 2.452 10.561 460 HD1 TYR 56 HD1 TYR 56 149.803 4.669 11.043 461 HD2 TYR 56 HD2 TYR 56 149.038 3.357 7.068 462 HE1 TYR 56 HE1 TYR 56 149.997 6.987 10.248 463 HE2 TYR 56 HE2 TYR 56 149.233 5.672 6.263 464 HH TYR 56 HH TYR 56 149.225 8.347 8.332 465 H GLU 57 HN GLU 57 151.534 -0.538 9.024 466 HA GLU 57 HA GLU 57 152.523 0.454 6.460 467 1HB GLU 57 HB2 GLU 57 154.177 -0.816 7.542 468 2HB GLU 57 HB1 GLU 57 153.026 -2.034 8.069 469 1HG GLU 57 HG2 GLU 57 153.213 -3.213 6.176 470 2HG GLU 57 HG1 GLU 57 153.271 -1.772 5.163 471 H TYR 58 HN TYR 58 151.287 0.303 4.735 472 HA TYR 58 HA TYR 58 149.058 -1.594 4.749 473 1HB TYR 58 HB2 TYR 58 149.377 1.081 3.832 474 2HB TYR 58 HB1 TYR 58 149.003 0.074 2.438 475 HD1 TYR 58 HD1 TYR 58 147.752 1.453 5.573 476 HD2 TYR 58 HD2 TYR 58 146.873 -1.134 2.312 477 HE1 TYR 58 HE1 TYR 58 145.376 1.476 6.203 478 HE2 TYR 58 HE2 TYR 58 144.494 -1.117 2.933 479 HH TYR 58 HH TYR 58 142.920 0.196 4.164 480 H GLN 59 HN GLN 59 148.573 -2.924 3.009 481 HA GLN 59 HA GLN 59 150.543 -3.311 0.903 482 1HB GLN 59 HB2 GLN 59 149.699 -5.620 2.664 483 2HB GLN 59 HB1 GLN 59 150.861 -5.659 1.345 484 1HG GLN 59 HG2 GLN 59 152.160 -3.931 2.764 485 2HG GLN 59 HG1 GLN 59 151.155 -4.518 4.087 486 1HE2 GLN 59 HE21 GLN 59 154.078 -4.728 3.461 487 2HE2 GLN 59 HE22 GLN 59 154.431 -6.414 3.589 488 H LEU 60 HN LEU 60 148.871 -2.601 -0.459 489 HA LEU 60 HA LEU 60 146.522 -4.303 -0.609 490 1HB LEU 60 HB2 LEU 60 146.745 -1.565 -0.516 491 2HB LEU 60 HB1 LEU 60 146.485 -1.875 -2.221 492 HG LEU 60 HG LEU 60 144.375 -1.417 -1.158 493 1HD1 LEU 60 HD11 LEU 60 143.139 -3.187 -1.998 494 2HD1 LEU 60 HD12 LEU 60 144.362 -4.378 -1.559 495 3HD1 LEU 60 HD13 LEU 60 144.649 -3.278 -2.904 496 1HD2 LEU 60 HD21 LEU 60 143.725 -3.436 0.518 497 2HD2 LEU 60 HD22 LEU 60 144.332 -1.868 1.042 498 3HD2 LEU 60 HD23 LEU 60 145.435 -3.235 0.891 499 H TYR 61 HN TYR 61 145.807 -5.169 -2.589 500 HA TYR 61 HA TYR 61 147.925 -5.415 -4.598 501 1HB TYR 61 HB2 TYR 61 145.537 -7.039 -3.833 502 2HB TYR 61 HB1 TYR 61 146.105 -7.130 -5.497 503 HD1 TYR 61 HD1 TYR 61 147.346 -9.031 -5.880 504 HD2 TYR 61 HD2 TYR 61 147.774 -7.036 -2.147 505 HE1 TYR 61 HE1 TYR 61 149.047 -10.673 -5.205 506 HE2 TYR 61 HE2 TYR 61 149.478 -8.673 -1.462 507 HH TYR 61 HH TYR 61 151.002 -10.249 -2.403 508 H VAL 62 HN VAL 62 147.507 -3.181 -5.193 509 HA VAL 62 HA VAL 62 145.058 -2.304 -6.252 510 HB VAL 62 HB VAL 62 146.429 -0.471 -7.286 511 1HG1 VAL 62 HG11 VAL 62 146.108 0.550 -5.341 512 2HG1 VAL 62 HG12 VAL 62 147.483 -0.295 -4.635 513 3HG1 VAL 62 HG13 VAL 62 145.879 -1.022 -4.574 514 1HG2 VAL 62 HG21 VAL 62 148.694 -2.000 -6.010 515 2HG2 VAL 62 HG22 VAL 62 148.805 -0.334 -6.568 516 3HG2 VAL 62 HG23 VAL 62 148.491 -1.629 -7.719 517 H TYR 63 HN TYR 63 144.426 -4.064 -7.695 518 HA TYR 63 HA TYR 63 145.994 -4.683 -9.992 519 1HB TYR 63 HB2 TYR 63 144.401 -6.327 -9.425 520 2HB TYR 63 HB1 TYR 63 143.108 -5.149 -9.260 521 HD1 TYR 63 HD1 TYR 63 145.398 -5.208 -12.149 522 HD2 TYR 63 HD2 TYR 63 141.560 -6.308 -10.680 523 HE1 TYR 63 HE1 TYR 63 144.669 -5.703 -14.443 524 HE2 TYR 63 HE2 TYR 63 140.820 -6.805 -12.971 525 HH TYR 63 HH TYR 63 142.981 -7.041 -15.589 526 H ALA 64 HN ALA 64 146.618 -2.591 -10.764 527 HA ALA 64 HA ALA 64 144.820 -1.533 -12.736 528 1HB ALA 64 HB1 ALA 64 143.714 -0.098 -11.461 529 2HB ALA 64 HB2 ALA 64 145.218 0.804 -11.287 530 3HB ALA 64 HB3 ALA 64 144.769 -0.402 -10.084 531 H SER 65 HN SER 65 145.846 1.035 -12.986 532 HA SER 65 HA SER 65 147.628 2.250 -13.750 533 1HB SER 65 HB2 SER 65 149.739 1.921 -12.893 534 2HB SER 65 HB1 SER 65 148.796 1.008 -11.719 535 HG SER 65 HG SER 65 150.372 0.056 -13.851 536 H ASP 66 HN ASP 66 147.099 -1.016 -14.570 537 HA ASP 66 HA ASP 66 147.038 -0.934 -17.197 538 1HB ASP 66 HB2 ASP 66 149.139 0.047 -17.567 539 2HB ASP 66 HB1 ASP 66 149.920 -0.957 -16.351 540 H LYS 67 HN LYS 67 147.921 -2.596 -14.360 541 HA LYS 67 HA LYS 67 146.673 -4.988 -15.197 542 1HB LYS 67 HB2 LYS 67 149.592 -4.798 -15.585 543 2HB LYS 67 HB1 LYS 67 149.036 -6.252 -14.768 544 1HG LYS 67 HG2 LYS 67 147.397 -5.702 -17.066 545 2HG LYS 67 HG1 LYS 67 149.102 -5.755 -17.516 546 1HD LYS 67 HD2 LYS 67 148.957 -7.977 -17.513 547 2HD LYS 67 HD1 LYS 67 148.727 -7.906 -15.765 548 1HE LYS 67 HE2 LYS 67 146.521 -8.340 -15.910 549 2HE LYS 67 HE1 LYS 67 146.320 -7.357 -17.361 550 1HZ LYS 67 HZ1 LYS 67 146.800 -10.189 -17.110 551 2HZ LYS 67 HZ2 LYS 67 147.767 -9.433 -18.273 552 3HZ LYS 67 HZ3 LYS 67 146.083 -9.319 -18.372 553 H LEU 68 HN LEU 68 147.562 -6.873 -13.588 554 HA LEU 68 HA LEU 68 146.739 -6.057 -11.018 555 1HB LEU 68 HB2 LEU 68 147.422 -8.319 -10.306 556 2HB LEU 68 HB1 LEU 68 146.410 -8.328 -11.737 557 HG LEU 68 HG LEU 68 148.893 -8.318 -12.858 558 1HD1 LEU 68 HD11 LEU 68 149.310 -10.384 -10.806 559 2HD1 LEU 68 HD12 LEU 68 149.540 -8.720 -10.272 560 3HD1 LEU 68 HD13 LEU 68 150.475 -9.345 -11.631 561 1HD2 LEU 68 HD21 LEU 68 147.842 -10.975 -12.109 562 2HD2 LEU 68 HD22 LEU 68 148.270 -10.326 -13.692 563 3HD2 LEU 68 HD23 LEU 68 146.730 -9.894 -12.949 564 H PHE 69 HN PHE 69 147.892 -4.738 -9.733 565 HA PHE 69 HA PHE 69 150.660 -5.461 -9.197 566 1HB PHE 69 HB2 PHE 69 151.611 -3.455 -9.816 567 2HB PHE 69 HB1 PHE 69 150.377 -3.645 -11.049 568 HD1 PHE 69 HD1 PHE 69 148.244 -2.415 -10.791 569 HD2 PHE 69 HD2 PHE 69 151.675 -1.549 -8.458 570 HE1 PHE 69 HE1 PHE 69 147.330 -0.186 -10.303 571 HE2 PHE 69 HE2 PHE 69 150.775 0.683 -7.961 572 HZ PHE 69 HZ PHE 69 148.598 1.372 -8.876 573 H ARG 70 HN ARG 70 151.406 -4.892 -7.160 574 HA ARG 70 HA ARG 70 149.316 -4.137 -5.310 575 1HB ARG 70 HB2 ARG 70 150.081 -6.213 -4.653 576 2HB ARG 70 HB1 ARG 70 151.739 -5.857 -5.109 577 1HG ARG 70 HG2 ARG 70 150.685 -4.234 -2.898 578 2HG ARG 70 HG1 ARG 70 150.835 -5.960 -2.566 579 1HD ARG 70 HD2 ARG 70 153.095 -4.496 -3.857 580 2HD ARG 70 HD1 ARG 70 152.845 -4.353 -2.117 581 HE ARG 70 HE ARG 70 152.818 -6.997 -2.421 582 1HH1 ARG 70 HH11 ARG 70 155.006 -4.600 -3.713 583 2HH1 ARG 70 HH12 ARG 70 156.358 -5.681 -3.756 584 1HH2 ARG 70 HH21 ARG 70 154.597 -8.413 -2.475 585 2HH2 ARG 70 HH22 ARG 70 156.127 -7.843 -3.054 586 H ALA 71 HN ALA 71 149.588 -2.612 -3.712 587 HA ALA 71 HA ALA 71 151.902 -0.816 -4.016 588 1HB ALA 71 HB1 ALA 71 150.386 0.966 -3.131 589 2HB ALA 71 HB2 ALA 71 149.054 -0.181 -3.271 590 3HB ALA 71 HB3 ALA 71 149.924 0.339 -4.714 591 H ASP 72 HN ASP 72 153.116 -0.369 -2.148 592 HA ASP 72 HA ASP 72 151.947 -1.474 0.334 593 1HB ASP 72 HB2 ASP 72 154.046 -2.616 -0.942 594 2HB ASP 72 HB1 ASP 72 154.897 -1.496 0.116 595 H ILE 73 HN ILE 73 151.812 -0.120 1.958 596 HA ILE 73 HA ILE 73 153.443 2.331 1.894 597 HB ILE 73 HB ILE 73 151.023 2.246 3.610 598 1HG1 ILE 73 HG12 ILE 73 150.828 2.647 0.618 599 2HG1 ILE 73 HG11 ILE 73 150.251 1.222 1.476 600 1HG2 ILE 73 HG21 ILE 73 152.591 4.248 2.062 601 2HG2 ILE 73 HG22 ILE 73 152.075 4.277 3.748 602 3HG2 ILE 73 HG23 ILE 73 150.911 4.602 2.463 603 1HD1 ILE 73 HD11 ILE 73 148.490 2.353 2.437 604 2HD1 ILE 73 HD12 ILE 73 148.594 3.107 0.846 605 3HD1 ILE 73 HD13 ILE 73 149.266 3.927 2.255 606 H SER 74 HN SER 74 154.224 3.133 3.903 607 HA SER 74 HA SER 74 154.018 1.507 6.266 608 1HB SER 74 HB2 SER 74 156.622 1.393 6.366 609 2HB SER 74 HB1 SER 74 155.758 0.205 5.390 610 HG SER 74 HG SER 74 156.711 2.625 4.285 611 H GLU 75 HN GLU 75 153.520 3.124 7.625 612 HA GLU 75 HA GLU 75 155.258 5.498 7.618 613 1HB GLU 75 HB2 GLU 75 152.454 5.581 8.662 614 2HB GLU 75 HB1 GLU 75 153.448 6.898 8.055 615 1HG GLU 75 HG2 GLU 75 153.216 5.399 5.826 616 2HG GLU 75 HG1 GLU 75 151.688 5.031 6.621 617 H ASP 76 HN ASP 76 156.643 4.411 9.176 618 HA ASP 76 HA ASP 76 155.382 4.201 11.795 619 1HB ASP 76 HB2 ASP 76 157.829 2.726 10.847 620 2HB ASP 76 HB1 ASP 76 157.063 2.550 12.420 621 H TYR 77 HN TYR 77 157.381 4.125 13.486 622 HA TYR 77 HA TYR 77 159.146 6.399 12.988 623 1HB TYR 77 HB2 TYR 77 157.280 7.438 14.091 624 2HB TYR 77 HB1 TYR 77 157.194 6.152 15.287 625 HD1 TYR 77 HD1 TYR 77 158.656 6.136 17.200 626 HD2 TYR 77 HD2 TYR 77 159.042 9.139 14.212 627 HE1 TYR 77 HE1 TYR 77 160.099 7.440 18.706 628 HE2 TYR 77 HE2 TYR 77 160.487 10.452 15.708 629 HH TYR 77 HH TYR 77 161.898 10.158 17.631 630 H LYS 78 HN LYS 78 160.834 6.553 14.747 631 HA LYS 78 HA LYS 78 162.392 5.642 16.157 632 1HB LYS 78 HB2 LYS 78 160.090 4.127 16.764 633 2HB LYS 78 HB1 LYS 78 161.372 2.956 16.496 634 1HG LYS 78 HG2 LYS 78 162.344 5.111 18.119 635 2HG LYS 78 HG1 LYS 78 160.859 4.452 18.808 636 1HD LYS 78 HD2 LYS 78 161.820 2.204 18.734 637 2HD LYS 78 HD1 LYS 78 163.302 2.857 18.032 638 1HE LYS 78 HE2 LYS 78 163.913 2.770 20.233 639 2HE LYS 78 HE1 LYS 78 163.235 4.396 20.169 640 1HZ LYS 78 HZ1 LYS 78 162.305 2.071 21.590 641 2HZ LYS 78 HZ2 LYS 78 161.080 2.867 20.737 642 3HZ LYS 78 HZ3 LYS 78 161.999 3.711 21.879 643 H THR 79 HN THR 79 163.320 5.794 13.923 644 HA THR 79 HA THR 79 164.896 4.932 12.490 645 HB THR 79 HB THR 79 164.326 2.145 13.478 646 HG1 THR 79 HG1 THR 79 165.979 4.079 14.727 647 1HG2 THR 79 HG21 THR 79 166.482 3.457 11.985 648 2HG2 THR 79 HG22 THR 79 165.943 1.777 11.976 649 3HG2 THR 79 HG23 THR 79 167.006 2.355 13.259 650 H ARG 80 HN ARG 80 162.096 5.260 12.020 651 HA ARG 80 HA ARG 80 161.621 3.326 9.911 652 1HB ARG 80 HB2 ARG 80 159.597 4.832 11.532 653 2HB ARG 80 HB1 ARG 80 159.240 3.679 10.253 654 1HG ARG 80 HG2 ARG 80 160.789 2.924 12.713 655 2HG ARG 80 HG1 ARG 80 159.026 2.854 12.642 656 1HD ARG 80 HD2 ARG 80 159.036 1.165 11.041 657 2HD ARG 80 HD1 ARG 80 160.692 1.512 10.547 658 HE ARG 80 HE ARG 80 161.444 0.136 12.216 659 1HH1 ARG 80 HH11 ARG 80 158.079 0.870 12.784 660 2HH1 ARG 80 HH12 ARG 80 157.919 -0.270 14.077 661 1HH2 ARG 80 HH21 ARG 80 161.234 -1.365 13.915 662 2HH2 ARG 80 HH22 ARG 80 159.710 -1.540 14.719 663 H GLY 81 HN GLY 81 159.786 4.351 8.457 664 1HA GLY 81 HA2 GLY 81 160.647 7.079 7.735 665 2HA GLY 81 HA1 GLY 81 160.389 5.831 6.518 666 H ARG 82 HN ARG 82 158.651 6.596 5.427 667 HA ARG 82 HA ARG 82 156.109 6.158 6.276 668 1HB ARG 82 HB2 ARG 82 156.203 7.779 7.994 669 2HB ARG 82 HB1 ARG 82 157.004 8.949 6.958 670 1HG ARG 82 HG2 ARG 82 155.006 9.393 5.766 671 2HG ARG 82 HG1 ARG 82 154.190 8.003 6.485 672 1HD ARG 82 HD2 ARG 82 153.344 9.513 7.914 673 2HD ARG 82 HD1 ARG 82 154.918 9.398 8.700 674 HE ARG 82 HE ARG 82 155.137 11.326 6.715 675 1HH1 ARG 82 HH11 ARG 82 153.347 10.846 9.672 676 2HH1 ARG 82 HH12 ARG 82 153.229 12.538 10.023 677 1HH2 ARG 82 HH21 ARG 82 154.983 13.552 7.175 678 2HH2 ARG 82 HH22 ARG 82 154.157 14.075 8.605 679 H LYS 83 HN LYS 83 155.350 5.750 4.290 680 HA LYS 83 HA LYS 83 154.584 7.627 2.463 681 1HB LYS 83 HB2 LYS 83 156.407 7.234 0.657 682 2HB LYS 83 HB1 LYS 83 156.685 8.426 1.920 683 1HG LYS 83 HG2 LYS 83 158.408 7.289 2.787 684 2HG LYS 83 HG1 LYS 83 157.613 5.727 2.580 685 1HD LYS 83 HD2 LYS 83 159.147 5.391 0.976 686 2HD LYS 83 HD1 LYS 83 158.114 6.432 -0.004 687 1HE LYS 83 HE2 LYS 83 159.634 8.068 -0.047 688 2HE LYS 83 HE1 LYS 83 159.937 7.942 1.684 689 1HZ LYS 83 HZ1 LYS 83 161.817 7.396 0.029 690 2HZ LYS 83 HZ2 LYS 83 161.026 5.913 -0.151 691 3HZ LYS 83 HZ3 LYS 83 161.591 6.390 1.371 692 H LEU 84 HN LEU 84 153.929 6.851 0.397 693 HA LEU 84 HA LEU 84 153.535 3.932 0.330 694 1HB LEU 84 HB2 LEU 84 151.490 5.349 0.389 695 2HB LEU 84 HB1 LEU 84 152.003 6.115 -1.099 696 HG LEU 84 HG LEU 84 151.675 3.151 -1.067 697 1HD1 LEU 84 HD11 LEU 84 149.639 4.658 -0.094 698 2HD1 LEU 84 HD12 LEU 84 149.434 3.138 -0.962 699 3HD1 LEU 84 HD13 LEU 84 149.280 4.670 -1.820 700 1HD2 LEU 84 HD21 LEU 84 152.350 5.009 -2.979 701 2HD2 LEU 84 HD22 LEU 84 150.640 4.715 -3.294 702 3HD2 LEU 84 HD23 LEU 84 151.780 3.369 -3.284 703 H LEU 85 HN LEU 85 154.283 2.779 -1.468 704 HA LEU 85 HA LEU 85 155.230 4.241 -3.798 705 1HB LEU 85 HB2 LEU 85 157.531 2.995 -3.350 706 2HB LEU 85 HB1 LEU 85 157.197 4.606 -2.740 707 HG LEU 85 HG LEU 85 156.544 2.233 -1.029 708 1HD1 LEU 85 HD11 LEU 85 158.757 2.142 -0.144 709 2HD1 LEU 85 HD12 LEU 85 159.276 3.510 -1.129 710 3HD1 LEU 85 HD13 LEU 85 158.888 1.970 -1.895 711 1HD2 LEU 85 HD21 LEU 85 157.620 4.208 0.530 712 2HD2 LEU 85 HD22 LEU 85 155.901 3.980 0.216 713 3HD2 LEU 85 HD23 LEU 85 156.824 5.138 -0.741 714 H ARG 86 HN ARG 86 156.109 1.128 -2.305 715 HA ARG 86 HA ARG 86 156.626 -0.570 -4.148 716 1HB ARG 86 HB2 ARG 86 155.294 -0.827 -1.704 717 2HB ARG 86 HB1 ARG 86 154.354 -1.781 -2.843 718 1HG ARG 86 HG2 ARG 86 155.811 -3.404 -2.370 719 2HG ARG 86 HG1 ARG 86 156.895 -2.538 -3.461 720 1HD ARG 86 HD2 ARG 86 158.179 -1.735 -1.769 721 2HD ARG 86 HD1 ARG 86 156.823 -1.628 -0.647 722 HE ARG 86 HE ARG 86 157.288 -3.756 0.073 723 1HH1 ARG 86 HH11 ARG 86 159.032 -3.149 -2.889 724 2HH1 ARG 86 HH12 ARG 86 159.967 -4.601 -2.783 725 1HH2 ARG 86 HH21 ARG 86 158.519 -5.667 0.214 726 2HH2 ARG 86 HH22 ARG 86 159.676 -6.032 -1.022 727 H PHE 87 HN PHE 87 156.037 -0.023 -6.233 728 HA PHE 87 HA PHE 87 153.212 -0.481 -6.935 729 1HB PHE 87 HB2 PHE 87 155.078 1.595 -7.686 730 2HB PHE 87 HB1 PHE 87 154.499 0.748 -9.115 731 HD1 PHE 87 HD1 PHE 87 152.876 1.978 -10.159 732 HD2 PHE 87 HD2 PHE 87 152.864 1.755 -5.909 733 HE1 PHE 87 HE1 PHE 87 150.796 3.290 -10.099 734 HE2 PHE 87 HE2 PHE 87 150.784 3.066 -5.842 735 HZ PHE 87 HZ PHE 87 149.748 3.835 -7.939 736 H ASN 88 HN ASN 88 153.660 -2.778 -6.967 737 HA ASN 88 HA ASN 88 155.595 -4.047 -8.491 738 1HB ASN 88 HB2 ASN 88 153.582 -4.899 -6.888 739 2HB ASN 88 HB1 ASN 88 152.938 -5.344 -8.466 740 1HD2 ASN 88 HD21 ASN 88 156.198 -5.336 -7.061 741 2HD2 ASN 88 HD22 ASN 88 156.535 -6.995 -7.408 742 H GLY 89 HN GLY 89 154.684 -5.648 -10.372 743 1HA GLY 89 HA2 GLY 89 153.191 -4.051 -12.326 744 2HA GLY 89 HA1 GLY 89 154.815 -4.570 -12.748 745 HA PRO 90 HA PRO 90 152.633 -7.963 -14.730 746 1HB PRO 90 HB2 PRO 90 155.379 -9.118 -14.637 747 2HB PRO 90 HB1 PRO 90 154.257 -8.990 -15.998 748 1HG PRO 90 HG2 PRO 90 156.352 -7.359 -15.810 749 2HG PRO 90 HG1 PRO 90 154.785 -6.764 -16.392 750 1HD PRO 90 HD2 PRO 90 156.095 -6.379 -13.738 751 2HD PRO 90 HD1 PRO 90 155.085 -5.258 -14.673 752 H VAL 91 HN VAL 91 152.924 -10.503 -14.451 753 HA VAL 91 HA VAL 91 152.126 -11.107 -11.817 754 HB VAL 91 HB VAL 91 153.118 -13.091 -13.864 755 1HG1 VAL 91 HG11 VAL 91 152.795 -14.385 -12.026 756 2HG1 VAL 91 HG12 VAL 91 151.128 -14.339 -12.602 757 3HG1 VAL 91 HG13 VAL 91 151.642 -13.263 -11.301 758 1HG2 VAL 91 HG21 VAL 91 150.477 -11.684 -13.613 759 2HG2 VAL 91 HG22 VAL 91 150.620 -13.257 -14.399 760 3HG2 VAL 91 HG23 VAL 91 151.500 -11.869 -15.037 Start of MODEL 6 1 1H GLY 1 HT1 GLY 1 154.582 -5.728 16.023 2 2H GLY 1 HT2 GLY 1 156.083 -5.892 15.260 3 3H GLY 1 HT3 GLY 1 155.253 -7.264 15.797 4 1HA GLY 1 HA1 GLY 1 154.114 -5.445 13.765 5 2HA GLY 1 HA2 GLY 1 155.168 -6.779 13.325 6 H GLU 2 HN GLU 2 152.126 -6.028 13.157 7 HA GLU 2 HA GLU 2 151.225 -8.745 13.236 8 1HB GLU 2 HB2 GLU 2 150.686 -6.967 15.497 9 2HB GLU 2 HB1 GLU 2 149.225 -7.656 14.800 10 1HG GLU 2 HG2 GLU 2 151.441 -9.539 15.266 11 2HG GLU 2 HG1 GLU 2 150.687 -8.853 16.704 12 H TRP 3 HN TRP 3 149.482 -9.071 11.930 13 HA TRP 3 HA TRP 3 148.585 -6.769 10.390 14 1HB TRP 3 HB2 TRP 3 147.487 -8.548 8.960 15 2HB TRP 3 HB1 TRP 3 149.245 -8.624 9.049 16 HD1 TRP 3 HD1 TRP 3 146.107 -10.481 10.239 17 HE1 TRP 3 HE1 TRP 3 146.787 -12.857 10.954 18 HE3 TRP 3 HE3 TRP 3 151.187 -10.013 9.892 19 HZ2 TRP 3 HZ2 TRP 3 149.161 -14.338 11.322 20 HZ3 TRP 3 HZ3 TRP 3 152.590 -11.957 10.443 21 HH2 TRP 3 HH2 TRP 3 151.597 -14.074 11.144 22 H GLU 4 HN GLU 4 146.508 -6.028 10.300 23 HA GLU 4 HA GLU 4 144.462 -7.424 11.858 24 1HB GLU 4 HB2 GLU 4 145.550 -5.704 13.310 25 2HB GLU 4 HB1 GLU 4 145.020 -4.472 12.172 26 1HG GLU 4 HG2 GLU 4 142.756 -6.018 12.848 27 2HG GLU 4 HG1 GLU 4 143.602 -5.633 14.346 28 H ILE 5 HN ILE 5 144.193 -7.743 9.346 29 HA ILE 5 HA ILE 5 143.271 -5.805 7.643 30 HB ILE 5 HB ILE 5 143.646 -8.136 6.965 31 1HG1 ILE 5 HG12 ILE 5 140.783 -7.584 6.287 32 2HG1 ILE 5 HG11 ILE 5 142.020 -6.432 5.793 33 1HG2 ILE 5 HG21 ILE 5 142.133 -9.892 7.462 34 2HG2 ILE 5 HG22 ILE 5 140.978 -8.782 8.198 35 3HG2 ILE 5 HG23 ILE 5 142.518 -9.110 8.995 36 1HD1 ILE 5 HD11 ILE 5 142.986 -7.899 4.317 37 2HD1 ILE 5 HD12 ILE 5 141.280 -8.332 4.188 38 3HD1 ILE 5 HD13 ILE 5 142.371 -9.320 5.160 39 H ILE 6 HN ILE 6 141.120 -5.160 6.991 40 HA ILE 6 HA ILE 6 139.181 -5.286 9.208 41 HB ILE 6 HB ILE 6 138.425 -3.016 7.949 42 1HG1 ILE 6 HG12 ILE 6 141.417 -2.748 7.978 43 2HG1 ILE 6 HG11 ILE 6 140.593 -3.318 6.532 44 1HG2 ILE 6 HG21 ILE 6 138.938 -2.009 9.909 45 2HG2 ILE 6 HG22 ILE 6 140.573 -2.670 9.952 46 3HG2 ILE 6 HG23 ILE 6 139.200 -3.678 10.413 47 1HD1 ILE 6 HD11 ILE 6 139.775 -0.772 7.869 48 2HD1 ILE 6 HD12 ILE 6 139.509 -1.292 6.205 49 3HD1 ILE 6 HD13 ILE 6 141.125 -0.824 6.736 50 H GLU 7 HN GLU 7 138.923 -3.999 5.908 51 HA GLU 7 HA GLU 7 136.773 -5.951 5.405 52 1HB GLU 7 HB2 GLU 7 136.857 -3.044 4.578 53 2HB GLU 7 HB1 GLU 7 135.602 -4.190 4.128 54 1HG GLU 7 HG2 GLU 7 136.248 -3.509 6.979 55 2HG GLU 7 HG1 GLU 7 135.052 -2.636 6.022 56 H ILE 8 HN ILE 8 136.197 -5.461 2.826 57 HA ILE 8 HA ILE 8 138.743 -5.686 1.374 58 HB ILE 8 HB ILE 8 137.774 -7.448 -0.047 59 1HG1 ILE 8 HG12 ILE 8 135.376 -6.799 0.466 60 2HG1 ILE 8 HG11 ILE 8 135.712 -8.526 0.462 61 1HG2 ILE 8 HG21 ILE 8 138.355 -7.764 2.817 62 2HG2 ILE 8 HG22 ILE 8 139.084 -8.545 1.413 63 3HG2 ILE 8 HG23 ILE 8 137.551 -9.135 2.052 64 1HD1 ILE 8 HD11 ILE 8 136.095 -7.582 3.102 65 2HD1 ILE 8 HD12 ILE 8 134.862 -8.683 2.492 66 3HD1 ILE 8 HD13 ILE 8 134.561 -6.946 2.508 67 H GLY 9 HN GLY 9 136.158 -3.827 1.744 68 1HA GLY 9 HA2 GLY 9 135.633 -3.419 -1.119 69 2HA GLY 9 HA1 GLY 9 134.645 -2.807 0.200 70 HA PRO 10 HA PRO 10 136.667 1.094 -0.104 71 1HB PRO 10 HB2 PRO 10 136.786 1.895 2.494 72 2HB PRO 10 HB1 PRO 10 135.289 1.886 1.555 73 1HG PRO 10 HG2 PRO 10 136.295 -0.120 3.535 74 2HG PRO 10 HG1 PRO 10 134.658 0.530 3.334 75 1HD PRO 10 HD2 PRO 10 135.374 -1.896 2.384 76 2HD PRO 10 HD1 PRO 10 134.183 -0.868 1.559 77 H PHE 11 HN PHE 11 137.922 -0.983 2.491 78 HA PHE 11 HA PHE 11 140.348 0.166 2.997 79 1HB PHE 11 HB2 PHE 11 139.596 -1.737 4.263 80 2HB PHE 11 HB1 PHE 11 139.610 -2.761 2.836 81 HD1 PHE 11 HD1 PHE 11 140.922 -4.353 4.224 82 HD2 PHE 11 HD2 PHE 11 142.413 -0.504 3.190 83 HE1 PHE 11 HE1 PHE 11 143.200 -5.092 4.778 84 HE2 PHE 11 HE2 PHE 11 144.697 -1.240 3.739 85 HZ PHE 11 HZ PHE 11 145.090 -3.535 4.535 86 H THR 12 HN THR 12 139.621 -2.170 0.416 87 HA THR 12 HA THR 12 142.244 -2.121 -0.680 88 HB THR 12 HB THR 12 140.454 -2.878 -2.709 89 HG1 THR 12 HG1 THR 12 139.121 -4.359 -1.565 90 1HG2 THR 12 HG21 THR 12 141.131 -5.169 -2.193 91 2HG2 THR 12 HG22 THR 12 141.869 -4.601 -0.697 92 3HG2 THR 12 HG23 THR 12 142.503 -4.065 -2.251 93 H GLN 13 HN GLN 13 139.172 -0.809 -1.919 94 HA GLN 13 HA GLN 13 140.143 0.608 -4.069 95 1HB GLN 13 HB2 GLN 13 137.761 0.328 -3.626 96 2HB GLN 13 HB1 GLN 13 137.881 1.367 -2.213 97 1HG GLN 13 HG2 GLN 13 138.734 3.143 -3.890 98 2HG GLN 13 HG1 GLN 13 138.008 2.094 -5.107 99 1HE2 GLN 13 HE21 GLN 13 137.394 4.830 -3.846 100 2HE2 GLN 13 HE22 GLN 13 135.699 4.744 -3.522 101 H ASN 14 HN ASN 14 140.416 1.348 -0.682 102 HA ASN 14 HA ASN 14 140.893 4.070 -0.746 103 1HB ASN 14 HB2 ASN 14 140.942 2.151 1.205 104 2HB ASN 14 HB1 ASN 14 142.648 2.570 1.083 105 1HD2 ASN 14 HD21 ASN 14 143.282 4.729 1.475 106 2HD2 ASN 14 HD22 ASN 14 142.298 5.784 2.427 107 H LEU 15 HN LEU 15 143.420 1.527 -0.716 108 HA LEU 15 HA LEU 15 145.574 3.167 -1.257 109 1HB LEU 15 HB2 LEU 15 145.914 0.825 -0.762 110 2HB LEU 15 HB1 LEU 15 145.072 0.351 -2.226 111 HG LEU 15 HG LEU 15 147.650 0.237 -2.196 112 1HD1 LEU 15 HD11 LEU 15 146.808 1.818 -4.539 113 2HD1 LEU 15 HD12 LEU 15 145.870 0.367 -4.188 114 3HD1 LEU 15 HD13 LEU 15 147.609 0.251 -4.451 115 1HD2 LEU 15 HD21 LEU 15 147.741 3.002 -3.161 116 2HD2 LEU 15 HD22 LEU 15 148.890 2.104 -2.172 117 3HD2 LEU 15 HD23 LEU 15 147.474 2.839 -1.425 118 H GLY 16 HN GLY 16 143.046 2.016 -3.370 119 1HA GLY 16 HA2 GLY 16 144.139 2.525 -5.877 120 2HA GLY 16 HA1 GLY 16 142.435 2.706 -5.480 121 H LYS 17 HN LYS 17 142.555 4.776 -3.623 122 HA LYS 17 HA LYS 17 142.657 7.039 -5.301 123 1HB LYS 17 HB2 LYS 17 141.486 6.619 -2.968 124 2HB LYS 17 HB1 LYS 17 142.972 7.317 -2.340 125 1HG LYS 17 HG2 LYS 17 141.475 9.107 -2.518 126 2HG LYS 17 HG1 LYS 17 142.546 9.265 -3.912 127 1HD LYS 17 HD2 LYS 17 140.621 9.468 -5.063 128 2HD LYS 17 HD1 LYS 17 140.589 7.708 -4.951 129 1HE LYS 17 HE2 LYS 17 138.439 8.630 -4.307 130 2HE LYS 17 HE1 LYS 17 139.222 7.873 -2.920 131 1HZ LYS 17 HZ1 LYS 17 139.537 10.762 -3.401 132 2HZ LYS 17 HZ2 LYS 17 139.654 9.905 -1.948 133 3HZ LYS 17 HZ3 LYS 17 138.139 10.176 -2.648 134 H PHE 18 HN PHE 18 144.833 6.021 -2.672 135 HA PHE 18 HA PHE 18 146.774 8.018 -3.169 136 1HB PHE 18 HB2 PHE 18 146.859 5.405 -1.674 137 2HB PHE 18 HB1 PHE 18 148.276 6.438 -1.819 138 HD1 PHE 18 HD1 PHE 18 144.867 6.201 -0.459 139 HD2 PHE 18 HD2 PHE 18 148.502 8.411 -0.522 140 HE1 PHE 18 HE1 PHE 18 144.102 7.502 1.484 141 HE2 PHE 18 HE2 PHE 18 147.745 9.718 1.421 142 HZ PHE 18 HZ PHE 18 145.542 9.263 2.427 143 H ALA 19 HN ALA 19 145.998 5.144 -4.769 144 HA ALA 19 HA ALA 19 148.471 4.281 -5.737 145 1HB ALA 19 HB1 ALA 19 145.948 4.132 -7.353 146 2HB ALA 19 HB2 ALA 19 146.187 3.144 -5.913 147 3HB ALA 19 HB3 ALA 19 147.287 2.986 -7.282 148 H VAL 20 HN VAL 20 146.045 6.158 -7.566 149 HA VAL 20 HA VAL 20 147.830 6.907 -9.611 150 HB VAL 20 HB VAL 20 145.389 6.997 -9.888 151 1HG1 VAL 20 HG11 VAL 20 145.436 8.383 -7.474 152 2HG1 VAL 20 HG12 VAL 20 144.032 8.071 -8.493 153 3HG1 VAL 20 HG13 VAL 20 144.933 9.575 -8.672 154 1HG2 VAL 20 HG21 VAL 20 145.299 8.965 -11.218 155 2HG2 VAL 20 HG22 VAL 20 146.962 8.378 -11.284 156 3HG2 VAL 20 HG23 VAL 20 146.550 9.751 -10.256 157 H ASP 21 HN ASP 21 147.158 8.274 -6.477 158 HA ASP 21 HA ASP 21 148.477 10.776 -7.031 159 1HB ASP 21 HB2 ASP 21 147.099 9.536 -4.721 160 2HB ASP 21 HB1 ASP 21 148.355 10.709 -4.333 161 H GLU 22 HN GLU 22 149.443 7.627 -6.034 162 HA GLU 22 HA GLU 22 152.027 8.644 -5.080 163 1HB GLU 22 HB2 GLU 22 150.606 6.023 -4.683 164 2HB GLU 22 HB1 GLU 22 152.319 6.203 -4.345 165 1HG GLU 22 HG2 GLU 22 150.529 6.492 -2.459 166 2HG GLU 22 HG1 GLU 22 151.974 7.496 -2.509 167 H GLU 23 HN GLU 23 150.533 6.974 -7.697 168 HA GLU 23 HA GLU 23 152.518 5.366 -8.702 169 1HB GLU 23 HB2 GLU 23 150.177 6.687 -9.741 170 2HB GLU 23 HB1 GLU 23 151.464 6.722 -10.940 171 1HG GLU 23 HG2 GLU 23 151.363 4.118 -9.802 172 2HG GLU 23 HG1 GLU 23 149.731 4.593 -10.271 173 H ASN 24 HN ASN 24 152.374 8.838 -8.626 174 HA ASN 24 HA ASN 24 154.642 9.164 -10.401 175 1HB ASN 24 HB2 ASN 24 152.734 10.974 -9.013 176 2HB ASN 24 HB1 ASN 24 154.324 11.624 -9.394 177 1HD2 ASN 24 HD21 ASN 24 151.498 10.055 -10.783 178 2HD2 ASN 24 HD22 ASN 24 151.681 10.719 -12.367 179 H LYS 25 HN LYS 25 154.028 8.942 -6.989 180 HA LYS 25 HA LYS 25 156.283 10.240 -5.980 181 1HB LYS 25 HB2 LYS 25 154.303 8.332 -4.978 182 2HB LYS 25 HB1 LYS 25 155.876 8.158 -4.214 183 1HG LYS 25 HG2 LYS 25 155.368 10.908 -4.275 184 2HG LYS 25 HG1 LYS 25 153.851 10.146 -3.793 185 1HD LYS 25 HD2 LYS 25 155.142 10.626 -1.819 186 2HD LYS 25 HD1 LYS 25 155.101 8.878 -2.060 187 1HE LYS 25 HE2 LYS 25 157.327 9.119 -3.234 188 2HE LYS 25 HE1 LYS 25 157.363 10.779 -2.636 189 1HZ LYS 25 HZ1 LYS 25 156.861 9.495 -0.382 190 2HZ LYS 25 HZ2 LYS 25 158.434 9.782 -0.934 191 3HZ LYS 25 HZ3 LYS 25 157.711 8.274 -1.190 192 H ILE 26 HN ILE 26 156.161 6.732 -5.521 193 HA ILE 26 HA ILE 26 158.894 6.368 -5.574 194 HB ILE 26 HB ILE 26 157.081 4.730 -4.846 195 1HG1 ILE 26 HG12 ILE 26 159.483 3.780 -6.411 196 2HG1 ILE 26 HG11 ILE 26 159.436 4.190 -4.700 197 1HG2 ILE 26 HG21 ILE 26 156.501 2.992 -6.513 198 2HG2 ILE 26 HG22 ILE 26 157.194 4.017 -7.766 199 3HG2 ILE 26 HG23 ILE 26 155.790 4.571 -6.854 200 1HD1 ILE 26 HD11 ILE 26 157.476 2.206 -5.168 201 2HD1 ILE 26 HD12 ILE 26 158.959 2.091 -4.222 202 3HD1 ILE 26 HD13 ILE 26 158.975 1.688 -5.939 203 H GLY 27 HN GLY 27 156.617 6.268 -8.270 204 1HA GLY 27 HA2 GLY 27 158.699 5.515 -10.148 205 2HA GLY 27 HA1 GLY 27 157.009 5.818 -10.526 206 H GLN 28 HN GLN 28 158.449 6.852 -12.346 207 HA GLN 28 HA GLN 28 159.272 9.562 -11.635 208 1HB GLN 28 HB2 GLN 28 160.405 7.767 -13.314 209 2HB GLN 28 HB1 GLN 28 159.417 8.673 -14.451 210 1HG GLN 28 HG2 GLN 28 160.496 10.750 -13.330 211 2HG GLN 28 HG1 GLN 28 161.714 9.594 -12.790 212 1HE2 GLN 28 HE21 GLN 28 163.215 10.796 -14.069 213 2HE2 GLN 28 HE22 GLN 28 163.309 10.537 -15.775 214 H TYR 29 HN TYR 29 157.027 7.893 -13.816 215 HA TYR 29 HA TYR 29 155.358 10.301 -13.827 216 1HB TYR 29 HB2 TYR 29 156.906 9.625 -16.004 217 2HB TYR 29 HB1 TYR 29 155.355 8.894 -16.398 218 HD1 TYR 29 HD1 TYR 29 153.774 10.189 -17.479 219 HD2 TYR 29 HD2 TYR 29 156.764 12.122 -15.149 220 HE1 TYR 29 HE1 TYR 29 152.929 12.375 -18.220 221 HE2 TYR 29 HE2 TYR 29 155.926 14.315 -15.884 222 HH TYR 29 HH TYR 29 153.084 14.899 -17.056 223 H GLY 30 HN GLY 30 153.378 9.791 -13.180 224 1HA GLY 30 HA2 GLY 30 152.539 7.030 -13.067 225 2HA GLY 30 HA1 GLY 30 151.647 8.419 -12.466 226 H ARG 31 HN ARG 31 150.023 6.783 -13.548 227 HA ARG 31 HA ARG 31 149.107 8.088 -15.924 228 1HB ARG 31 HB2 ARG 31 149.204 6.254 -17.451 229 2HB ARG 31 HB1 ARG 31 150.818 6.472 -16.798 230 1HG ARG 31 HG2 ARG 31 150.830 4.464 -15.788 231 2HG ARG 31 HG1 ARG 31 149.123 4.548 -15.353 232 1HD ARG 31 HD2 ARG 31 150.237 3.917 -18.084 233 2HD ARG 31 HD1 ARG 31 149.534 2.761 -16.958 234 HE ARG 31 HE ARG 31 147.404 3.656 -17.391 235 1HH1 ARG 31 HH11 ARG 31 149.891 5.233 -19.277 236 2HH1 ARG 31 HH12 ARG 31 148.773 5.899 -20.417 237 1HH2 ARG 31 HH21 ARG 31 145.941 4.537 -18.889 238 2HH2 ARG 31 HH22 ARG 31 146.532 5.507 -20.198 239 H LEU 32 HN LEU 32 147.380 5.986 -16.810 240 HA LEU 32 HA LEU 32 145.320 6.241 -14.833 241 1HB LEU 32 HB2 LEU 32 145.233 6.078 -17.490 242 2HB LEU 32 HB1 LEU 32 145.025 4.374 -17.129 243 HG LEU 32 HG LEU 32 143.271 6.500 -15.918 244 1HD1 LEU 32 HD11 LEU 32 141.607 5.800 -17.651 245 2HD1 LEU 32 HD12 LEU 32 142.924 4.985 -18.496 246 3HD1 LEU 32 HD13 LEU 32 142.972 6.734 -18.267 247 1HD2 LEU 32 HD21 LEU 32 141.788 4.270 -16.055 248 2HD2 LEU 32 HD22 LEU 32 142.808 4.670 -14.672 249 3HD2 LEU 32 HD23 LEU 32 143.391 3.550 -15.903 250 H THR 33 HN THR 33 145.734 5.093 -13.010 251 HA THR 33 HA THR 33 146.003 2.175 -13.322 252 HB THR 33 HB THR 33 147.037 3.556 -10.880 253 HG1 THR 33 HG1 THR 33 148.490 4.559 -11.978 254 1HG2 THR 33 HG21 THR 33 148.496 1.756 -10.683 255 2HG2 THR 33 HG22 THR 33 148.291 1.284 -12.368 256 3HG2 THR 33 HG23 THR 33 146.982 1.028 -11.216 257 H PHE 34 HN PHE 34 143.616 3.929 -12.988 258 HA PHE 34 HA PHE 34 142.667 3.013 -10.364 259 1HB PHE 34 HB2 PHE 34 142.497 5.499 -11.484 260 2HB PHE 34 HB1 PHE 34 140.935 4.818 -11.919 261 HD1 PHE 34 HD1 PHE 34 142.774 6.483 -9.419 262 HD2 PHE 34 HD2 PHE 34 139.608 3.697 -9.982 263 HE1 PHE 34 HE1 PHE 34 141.936 6.988 -7.164 264 HE2 PHE 34 HE2 PHE 34 138.761 4.198 -7.727 265 HZ PHE 34 HZ PHE 34 139.925 5.845 -6.315 266 H ASN 35 HN ASN 35 142.893 1.305 -12.763 267 HA ASN 35 HA ASN 35 140.292 0.906 -13.844 268 1HB ASN 35 HB2 ASN 35 142.519 0.180 -14.862 269 2HB ASN 35 HB1 ASN 35 142.474 -1.173 -13.736 270 1HD2 ASN 35 HD21 ASN 35 140.911 -2.773 -13.989 271 2HD2 ASN 35 HD22 ASN 35 140.031 -2.966 -15.464 272 H LYS 36 HN LYS 36 142.181 -1.312 -11.768 273 HA LYS 36 HA LYS 36 139.788 -1.799 -10.169 274 1HB LYS 36 HB2 LYS 36 141.152 -3.819 -11.896 275 2HB LYS 36 HB1 LYS 36 140.470 -4.339 -10.363 276 1HG LYS 36 HG2 LYS 36 138.313 -3.214 -11.149 277 2HG LYS 36 HG1 LYS 36 139.063 -3.192 -12.746 278 1HD LYS 36 HD2 LYS 36 139.493 -5.722 -12.262 279 2HD LYS 36 HD1 LYS 36 138.191 -5.521 -11.089 280 1HE LYS 36 HE2 LYS 36 137.152 -4.299 -13.296 281 2HE LYS 36 HE1 LYS 36 138.101 -5.598 -14.018 282 1HZ LYS 36 HZ1 LYS 36 136.912 -7.022 -12.219 283 2HZ LYS 36 HZ2 LYS 36 136.103 -6.628 -13.652 284 3HZ LYS 36 HZ3 LYS 36 135.775 -5.769 -12.232 285 H VAL 37 HN VAL 37 141.130 -0.580 -8.667 286 HA VAL 37 HA VAL 37 143.541 -1.843 -7.676 287 HB VAL 37 HB VAL 37 142.123 0.489 -6.408 288 1HG1 VAL 37 HG11 VAL 37 144.455 -0.944 -5.781 289 2HG1 VAL 37 HG12 VAL 37 143.876 0.552 -5.051 290 3HG1 VAL 37 HG13 VAL 37 144.984 0.613 -6.419 291 1HG2 VAL 37 HG21 VAL 37 143.444 0.360 -9.005 292 2HG2 VAL 37 HG22 VAL 37 144.115 1.595 -7.939 293 3HG2 VAL 37 HG23 VAL 37 142.395 1.604 -8.327 294 H ILE 38 HN ILE 38 143.126 -3.713 -6.588 295 HA ILE 38 HA ILE 38 141.842 -3.500 -4.031 296 HB ILE 38 HB ILE 38 140.355 -5.583 -4.628 297 1HG1 ILE 38 HG12 ILE 38 140.105 -4.192 -7.266 298 2HG1 ILE 38 HG11 ILE 38 141.377 -5.390 -7.056 299 1HG2 ILE 38 HG21 ILE 38 138.881 -3.406 -5.731 300 2HG2 ILE 38 HG22 ILE 38 139.894 -2.808 -4.421 301 3HG2 ILE 38 HG23 ILE 38 138.765 -4.127 -4.127 302 1HD1 ILE 38 HD11 ILE 38 138.439 -5.873 -6.627 303 2HD1 ILE 38 HD12 ILE 38 139.726 -7.071 -6.482 304 3HD1 ILE 38 HD13 ILE 38 139.366 -6.347 -8.050 305 H LYS 39 HN LYS 39 141.681 -6.636 -5.457 306 HA LYS 39 HA LYS 39 142.840 -8.549 -5.162 307 1HB LYS 39 HB2 LYS 39 145.043 -6.528 -5.220 308 2HB LYS 39 HB1 LYS 39 145.405 -8.223 -4.919 309 1HG LYS 39 HG2 LYS 39 143.943 -7.181 -7.336 310 2HG LYS 39 HG1 LYS 39 145.666 -7.550 -7.282 311 1HD LYS 39 HD2 LYS 39 145.321 -9.776 -7.385 312 2HD LYS 39 HD1 LYS 39 143.896 -9.705 -6.345 313 1HE LYS 39 HE2 LYS 39 143.783 -8.629 -9.134 314 2HE LYS 39 HE1 LYS 39 143.631 -10.362 -8.847 315 1HZ LYS 39 HZ1 LYS 39 141.784 -9.858 -7.316 316 2HZ LYS 39 HZ2 LYS 39 141.464 -9.371 -8.905 317 3HZ LYS 39 HZ3 LYS 39 141.894 -8.223 -7.740 318 HA PRO 40 HA PRO 40 143.005 -9.618 -0.917 319 1HB PRO 40 HB2 PRO 40 145.498 -11.129 -1.539 320 2HB PRO 40 HB1 PRO 40 144.018 -11.676 -0.742 321 1HG PRO 40 HG2 PRO 40 144.526 -12.358 -3.261 322 2HG PRO 40 HG1 PRO 40 142.880 -11.945 -2.746 323 1HD PRO 40 HD2 PRO 40 144.839 -10.334 -4.322 324 2HD PRO 40 HD1 PRO 40 143.073 -10.427 -4.471 325 H CYS 41 HN CYS 41 143.573 -7.450 -0.291 326 HA CYS 41 HA CYS 41 146.373 -6.798 0.060 327 1HB CYS 41 HB2 CYS 41 145.617 -4.647 0.769 328 2HB CYS 41 HB1 CYS 41 144.614 -5.127 -0.595 329 HG CYS 41 HG CYS 41 142.624 -5.423 0.957 330 H MET 42 HN MET 42 146.446 -5.428 2.405 331 HA MET 42 HA MET 42 145.388 -6.457 4.706 332 1HB MET 42 HB2 MET 42 147.186 -8.350 3.484 333 2HB MET 42 HB1 MET 42 147.827 -7.836 5.038 334 1HG MET 42 HG2 MET 42 146.276 -8.956 6.184 335 2HG MET 42 HG1 MET 42 144.978 -8.454 5.102 336 1HE MET 42 HE1 MET 42 145.874 -11.536 6.563 337 2HE MET 42 HE2 MET 42 147.513 -11.051 6.131 338 3HE MET 42 HE3 MET 42 146.806 -12.499 5.416 339 H LYS 43 HN LYS 43 145.956 -5.077 6.263 340 HA LYS 43 HA LYS 43 148.399 -3.487 5.892 341 1HB LYS 43 HB2 LYS 43 147.339 -1.926 7.530 342 2HB LYS 43 HB1 LYS 43 146.417 -2.139 6.048 343 1HG LYS 43 HG2 LYS 43 144.685 -3.126 7.104 344 2HG LYS 43 HG1 LYS 43 145.721 -3.935 8.281 345 1HD LYS 43 HD2 LYS 43 145.179 -0.971 8.310 346 2HD LYS 43 HD1 LYS 43 144.212 -2.142 9.209 347 1HE LYS 43 HE2 LYS 43 146.705 -2.863 9.967 348 2HE LYS 43 HE1 LYS 43 146.929 -1.131 9.722 349 1HZ LYS 43 HZ1 LYS 43 144.710 -1.061 11.114 350 2HZ LYS 43 HZ2 LYS 43 146.226 -1.126 11.864 351 3HZ LYS 43 HZ3 LYS 43 145.302 -2.533 11.702 352 H LYS 44 HN LYS 44 150.060 -3.610 7.308 353 HA LYS 44 HA LYS 44 149.671 -5.312 9.679 354 1HB LYS 44 HB2 LYS 44 152.126 -5.715 9.568 355 2HB LYS 44 HB1 LYS 44 151.248 -6.306 8.165 356 1HG LYS 44 HG2 LYS 44 151.911 -4.191 6.985 357 2HG LYS 44 HG1 LYS 44 152.964 -3.846 8.357 358 1HD LYS 44 HD2 LYS 44 153.777 -6.326 7.860 359 2HD LYS 44 HD1 LYS 44 153.207 -5.915 6.241 360 1HE LYS 44 HE2 LYS 44 154.690 -4.063 6.098 361 2HE LYS 44 HE1 LYS 44 155.096 -4.175 7.810 362 1HZ LYS 44 HZ1 LYS 44 156.883 -5.113 6.613 363 2HZ LYS 44 HZ2 LYS 44 155.859 -6.048 5.644 364 3HZ LYS 44 HZ3 LYS 44 156.041 -6.418 7.285 365 H THR 45 HN THR 45 149.237 -3.960 11.317 366 HA THR 45 HA THR 45 150.385 -1.402 11.604 367 HB THR 45 HB THR 45 148.887 -3.110 13.592 368 HG1 THR 45 HG1 THR 45 147.578 -2.617 11.885 369 1HG2 THR 45 HG21 THR 45 150.134 -1.324 14.724 370 2HG2 THR 45 HG22 THR 45 148.389 -1.091 14.804 371 3HG2 THR 45 HG23 THR 45 149.353 -0.140 13.676 372 H ILE 46 HN ILE 46 151.702 -0.680 13.431 373 HA ILE 46 HA ILE 46 153.319 -2.735 14.735 374 HB ILE 46 HB ILE 46 155.371 -1.184 14.163 375 1HG1 ILE 46 HG12 ILE 46 153.860 0.372 12.827 376 2HG1 ILE 46 HG11 ILE 46 155.336 -0.153 12.029 377 1HG2 ILE 46 HG21 ILE 46 154.216 -3.534 12.850 378 2HG2 ILE 46 HG22 ILE 46 155.827 -3.279 13.519 379 3HG2 ILE 46 HG23 ILE 46 155.439 -2.683 11.905 380 1HD1 ILE 46 HD11 ILE 46 152.514 -0.753 11.390 381 2HD1 ILE 46 HD12 ILE 46 153.694 -2.029 11.101 382 3HD1 ILE 46 HD13 ILE 46 153.886 -0.458 10.324 383 H TYR 47 HN TYR 47 152.646 -2.145 16.752 384 HA TYR 47 HA TYR 47 152.922 0.682 17.475 385 1HB TYR 47 HB2 TYR 47 151.400 0.247 19.310 386 2HB TYR 47 HB1 TYR 47 150.696 -0.344 17.808 387 HD1 TYR 47 HD1 TYR 47 151.699 -1.189 21.145 388 HD2 TYR 47 HD2 TYR 47 150.827 -2.834 17.319 389 HE1 TYR 47 HE1 TYR 47 151.377 -3.399 22.175 390 HE2 TYR 47 HE2 TYR 47 150.503 -5.048 18.338 391 HH TYR 47 HH TYR 47 150.289 -5.495 21.735 392 H GLU 48 HN GLU 48 153.638 1.263 19.548 393 HA GLU 48 HA GLU 48 156.157 0.173 20.209 394 1HB GLU 48 HB2 GLU 48 156.082 2.019 21.824 395 2HB GLU 48 HB1 GLU 48 155.547 2.525 20.224 396 1HG GLU 48 HG2 GLU 48 153.396 1.535 21.960 397 2HG GLU 48 HG1 GLU 48 154.175 2.995 22.528 398 H ASN 49 HN ASN 49 155.237 1.181 23.061 399 HA ASN 49 HA ASN 49 153.846 -1.090 24.170 400 1HB ASN 49 HB2 ASN 49 156.528 -1.464 23.940 401 2HB ASN 49 HB1 ASN 49 156.457 -0.660 25.504 402 1HD2 ASN 49 HD21 ASN 49 154.349 -3.004 23.880 403 2HD2 ASN 49 HD22 ASN 49 154.380 -4.171 25.155 404 H GLU 50 HN GLU 50 155.896 1.717 24.774 405 HA GLU 50 HA GLU 50 153.990 2.634 26.824 406 1HB GLU 50 HB2 GLU 50 156.146 1.981 27.843 407 2HB GLU 50 HB1 GLU 50 156.984 3.088 26.765 408 1HG GLU 50 HG2 GLU 50 156.775 4.642 28.323 409 2HG GLU 50 HG1 GLU 50 155.041 4.640 28.010 410 H ARG 51 HN ARG 51 153.691 3.121 24.142 411 HA ARG 51 HA ARG 51 153.173 4.803 22.706 412 1HB ARG 51 HB2 ARG 51 152.829 5.974 25.099 413 2HB ARG 51 HB1 ARG 51 154.145 6.967 24.489 414 1HG ARG 51 HG2 ARG 51 152.714 7.237 22.384 415 2HG ARG 51 HG1 ARG 51 151.391 6.613 23.370 416 1HD ARG 51 HD2 ARG 51 151.493 8.433 24.851 417 2HD ARG 51 HD1 ARG 51 153.088 8.921 24.273 418 HE ARG 51 HE ARG 51 151.549 9.192 22.076 419 1HH1 ARG 51 HH11 ARG 51 151.203 10.335 25.356 420 2HH1 ARG 51 HH12 ARG 51 150.323 11.754 24.901 421 1HH2 ARG 51 HH21 ARG 51 150.392 11.058 21.476 422 2HH2 ARG 51 HH22 ARG 51 149.860 12.165 22.698 423 H GLU 52 HN GLU 52 155.199 3.784 21.656 424 HA GLU 52 HA GLU 52 157.181 5.946 21.330 425 1HB GLU 52 HB2 GLU 52 157.645 3.079 21.967 426 2HB GLU 52 HB1 GLU 52 158.783 3.876 20.889 427 1HG GLU 52 HG2 GLU 52 159.832 4.423 22.785 428 2HG GLU 52 HG1 GLU 52 158.616 5.697 22.876 429 H ILE 53 HN ILE 53 154.848 4.359 19.718 430 HA ILE 53 HA ILE 53 155.752 5.152 17.197 431 HB ILE 53 HB ILE 53 157.296 3.255 17.527 432 1HG1 ILE 53 HG12 ILE 53 155.340 3.198 15.246 433 2HG1 ILE 53 HG11 ILE 53 156.955 3.891 15.292 434 1HG2 ILE 53 HG21 ILE 53 154.912 1.903 18.268 435 2HG2 ILE 53 HG22 ILE 53 156.588 1.387 18.430 436 3HG2 ILE 53 HG23 ILE 53 155.697 1.042 16.948 437 1HD1 ILE 53 HD11 ILE 53 156.800 1.819 13.966 438 2HD1 ILE 53 HD12 ILE 53 156.370 0.945 15.438 439 3HD1 ILE 53 HD13 ILE 53 157.951 1.714 15.298 440 H LYS 54 HN LYS 54 154.228 2.287 16.449 441 HA LYS 54 HA LYS 54 152.023 1.589 16.361 442 1HB LYS 54 HB2 LYS 54 151.590 3.487 18.161 443 2HB LYS 54 HB1 LYS 54 150.906 4.307 16.764 444 1HG LYS 54 HG2 LYS 54 149.205 2.775 16.529 445 2HG LYS 54 HG1 LYS 54 150.090 1.508 17.382 446 1HD LYS 54 HD2 LYS 54 148.268 2.323 18.760 447 2HD LYS 54 HD1 LYS 54 149.816 2.763 19.484 448 1HE LYS 54 HE2 LYS 54 149.606 5.011 18.488 449 2HE LYS 54 HE1 LYS 54 148.025 4.560 17.850 450 1HZ LYS 54 HZ1 LYS 54 148.476 4.215 20.717 451 2HZ LYS 54 HZ2 LYS 54 147.069 4.661 19.890 452 3HZ LYS 54 HZ3 LYS 54 148.298 5.796 20.143 453 H GLY 55 HN GLY 55 153.089 1.545 14.238 454 1HA GLY 55 HA2 GLY 55 151.903 3.518 12.392 455 2HA GLY 55 HA1 GLY 55 153.352 2.580 12.054 456 H TYR 56 HN TYR 56 151.714 2.409 10.079 457 HA TYR 56 HA TYR 56 150.732 -0.298 10.227 458 1HB TYR 56 HB2 TYR 56 148.473 0.283 9.376 459 2HB TYR 56 HB1 TYR 56 148.768 0.889 11.002 460 HD1 TYR 56 HD1 TYR 56 147.940 1.751 7.603 461 HD2 TYR 56 HD2 TYR 56 149.303 3.328 11.313 462 HE1 TYR 56 HE1 TYR 56 147.324 4.012 6.861 463 HE2 TYR 56 HE2 TYR 56 148.689 5.594 10.582 464 HH TYR 56 HH TYR 56 146.884 6.524 8.787 465 H GLU 57 HN GLU 57 151.511 -1.234 8.469 466 HA GLU 57 HA GLU 57 152.102 0.373 6.110 467 1HB GLU 57 HB2 GLU 57 152.944 -2.286 7.130 468 2HB GLU 57 HB1 GLU 57 152.914 -2.078 5.385 469 1HG GLU 57 HG2 GLU 57 154.590 -0.512 5.401 470 2HG GLU 57 HG1 GLU 57 154.275 -0.037 7.070 471 H TYR 58 HN TYR 58 150.390 0.749 4.893 472 HA TYR 58 HA TYR 58 148.225 -1.096 4.581 473 1HB TYR 58 HB2 TYR 58 148.677 1.649 4.117 474 2HB TYR 58 HB1 TYR 58 148.284 0.959 2.549 475 HD1 TYR 58 HD1 TYR 58 146.132 1.673 2.087 476 HD2 TYR 58 HD2 TYR 58 146.987 0.064 5.932 477 HE1 TYR 58 HE1 TYR 58 143.741 1.761 2.648 478 HE2 TYR 58 HE2 TYR 58 144.595 0.146 6.503 479 HH TYR 58 HH TYR 58 142.166 1.164 4.131 480 H GLN 59 HN GLN 59 149.342 -2.977 3.753 481 HA GLN 59 HA GLN 59 150.634 -2.822 1.178 482 1HB GLN 59 HB2 GLN 59 149.719 -5.346 2.550 483 2HB GLN 59 HB1 GLN 59 151.024 -5.155 1.388 484 1HG GLN 59 HG2 GLN 59 152.416 -4.102 2.967 485 2HG GLN 59 HG1 GLN 59 151.083 -3.865 4.095 486 1HE2 GLN 59 HE21 GLN 59 153.730 -5.704 3.427 487 2HE2 GLN 59 HE22 GLN 59 153.342 -7.111 4.349 488 H LEU 60 HN LEU 60 149.305 -2.293 -0.482 489 HA LEU 60 HA LEU 60 146.869 -3.865 -0.780 490 1HB LEU 60 HB2 LEU 60 147.271 -1.014 -0.793 491 2HB LEU 60 HB1 LEU 60 146.554 -1.543 -2.303 492 HG LEU 60 HG LEU 60 144.854 -0.866 -0.676 493 1HD1 LEU 60 HD11 LEU 60 143.781 -3.320 -0.569 494 2HD1 LEU 60 HD12 LEU 60 145.026 -3.584 -1.788 495 3HD1 LEU 60 HD13 LEU 60 143.811 -2.329 -2.026 496 1HD2 LEU 60 HD21 LEU 60 144.559 -2.671 1.224 497 2HD2 LEU 60 HD22 LEU 60 145.592 -1.260 1.447 498 3HD2 LEU 60 HD23 LEU 60 146.306 -2.818 1.031 499 H TYR 61 HN TYR 61 146.256 -4.542 -2.887 500 HA TYR 61 HA TYR 61 148.484 -4.469 -4.811 501 1HB TYR 61 HB2 TYR 61 146.555 -6.592 -4.025 502 2HB TYR 61 HB1 TYR 61 147.060 -6.540 -5.712 503 HD1 TYR 61 HD1 TYR 61 149.176 -7.357 -6.365 504 HD2 TYR 61 HD2 TYR 61 148.307 -6.826 -2.235 505 HE1 TYR 61 HE1 TYR 61 151.237 -8.566 -5.783 506 HE2 TYR 61 HE2 TYR 61 150.367 -8.031 -1.640 507 HH TYR 61 HH TYR 61 152.488 -8.634 -2.584 508 H VAL 62 HN VAL 62 148.028 -2.801 -6.129 509 HA VAL 62 HA VAL 62 145.331 -2.232 -6.962 510 HB VAL 62 HB VAL 62 146.848 -0.378 -6.559 511 1HG1 VAL 62 HG11 VAL 62 148.933 -0.220 -7.351 512 2HG1 VAL 62 HG12 VAL 62 148.453 -0.712 -8.974 513 3HG1 VAL 62 HG13 VAL 62 148.764 -1.932 -7.741 514 1HG2 VAL 62 HG21 VAL 62 145.939 0.891 -8.172 515 2HG2 VAL 62 HG22 VAL 62 145.123 -0.598 -8.648 516 3HG2 VAL 62 HG23 VAL 62 146.602 -0.100 -9.470 517 H TYR 63 HN TYR 63 144.507 -3.767 -8.280 518 HA TYR 63 HA TYR 63 146.069 -4.798 -10.500 519 1HB TYR 63 HB2 TYR 63 144.510 -6.252 -9.181 520 2HB TYR 63 HB1 TYR 63 143.164 -5.321 -9.825 521 HD1 TYR 63 HD1 TYR 63 146.129 -7.256 -11.012 522 HD2 TYR 63 HD2 TYR 63 142.100 -6.097 -11.725 523 HE1 TYR 63 HE1 TYR 63 146.062 -8.730 -12.979 524 HE2 TYR 63 HE2 TYR 63 142.020 -7.568 -13.695 525 HH TYR 63 HH TYR 63 144.825 -8.999 -15.035 526 H ALA 64 HN ALA 64 146.351 -2.724 -11.542 527 HA ALA 64 HA ALA 64 144.038 -1.360 -12.585 528 1HB ALA 64 HB1 ALA 64 146.422 -0.497 -13.875 529 2HB ALA 64 HB2 ALA 64 146.762 -0.727 -12.161 530 3HB ALA 64 HB3 ALA 64 145.452 0.342 -12.664 531 H SER 65 HN SER 65 144.249 -0.699 -15.024 532 HA SER 65 HA SER 65 143.670 -2.979 -16.549 533 1HB SER 65 HB2 SER 65 143.224 -0.334 -16.885 534 2HB SER 65 HB1 SER 65 144.559 -0.563 -18.015 535 HG SER 65 HG SER 65 142.314 -0.923 -18.800 536 H ASP 66 HN ASP 66 146.600 -1.000 -16.342 537 HA ASP 66 HA ASP 66 148.058 -2.112 -18.390 538 1HB ASP 66 HB2 ASP 66 148.980 -1.036 -15.734 539 2HB ASP 66 HB1 ASP 66 150.085 -1.472 -17.034 540 H LYS 67 HN LYS 67 147.806 -3.167 -15.081 541 HA LYS 67 HA LYS 67 147.886 -5.880 -15.509 542 1HB LYS 67 HB2 LYS 67 150.555 -4.634 -15.577 543 2HB LYS 67 HB1 LYS 67 150.419 -6.020 -14.504 544 1HG LYS 67 HG2 LYS 67 149.149 -6.665 -16.961 545 2HG LYS 67 HG1 LYS 67 150.737 -5.985 -17.312 546 1HD LYS 67 HD2 LYS 67 150.390 -8.098 -15.211 547 2HD LYS 67 HD1 LYS 67 150.539 -8.529 -16.917 548 1HE LYS 67 HE2 LYS 67 152.746 -8.503 -16.561 549 2HE LYS 67 HE1 LYS 67 152.596 -6.746 -16.561 550 1HZ LYS 67 HZ1 LYS 67 152.293 -6.833 -14.148 551 2HZ LYS 67 HZ2 LYS 67 153.782 -7.489 -14.614 552 3HZ LYS 67 HZ3 LYS 67 152.508 -8.510 -14.173 553 H LEU 68 HN LEU 68 149.104 -6.986 -13.414 554 HA LEU 68 HA LEU 68 147.619 -5.928 -11.180 555 1HB LEU 68 HB2 LEU 68 147.902 -8.389 -11.771 556 2HB LEU 68 HB1 LEU 68 149.535 -8.251 -11.150 557 HG LEU 68 HG LEU 68 147.380 -7.339 -9.338 558 1HD1 LEU 68 HD11 LEU 68 147.310 -9.912 -8.672 559 2HD1 LEU 68 HD12 LEU 68 147.547 -10.095 -10.410 560 3HD1 LEU 68 HD13 LEU 68 146.159 -9.194 -9.799 561 1HD2 LEU 68 HD21 LEU 68 148.856 -8.736 -7.774 562 2HD2 LEU 68 HD22 LEU 68 149.533 -7.251 -8.440 563 3HD2 LEU 68 HD23 LEU 68 149.985 -8.809 -9.127 564 H PHE 69 HN PHE 69 148.392 -4.445 -9.833 565 HA PHE 69 HA PHE 69 151.306 -4.330 -9.401 566 1HB PHE 69 HB2 PHE 69 149.330 -2.200 -9.983 567 2HB PHE 69 HB1 PHE 69 150.547 -1.820 -8.770 568 HD1 PHE 69 HD1 PHE 69 153.010 -2.669 -9.549 569 HD2 PHE 69 HD2 PHE 69 149.810 -1.528 -12.111 570 HE1 PHE 69 HE1 PHE 69 154.626 -2.154 -11.333 571 HE2 PHE 69 HE2 PHE 69 151.418 -1.014 -13.898 572 HZ PHE 69 HZ PHE 69 153.830 -1.326 -13.512 573 H ARG 70 HN ARG 70 151.559 -2.706 -7.328 574 HA ARG 70 HA ARG 70 149.724 -3.169 -5.227 575 1HB ARG 70 HB2 ARG 70 150.723 -5.383 -5.247 576 2HB ARG 70 HB1 ARG 70 152.335 -4.686 -5.208 577 1HG ARG 70 HG2 ARG 70 151.316 -3.601 -2.972 578 2HG ARG 70 HG1 ARG 70 150.394 -5.104 -3.033 579 1HD ARG 70 HD2 ARG 70 152.229 -6.406 -2.696 580 2HD ARG 70 HD1 ARG 70 153.312 -5.280 -3.514 581 HE ARG 70 HE ARG 70 152.293 -4.298 -1.009 582 1HH1 ARG 70 HH11 ARG 70 154.794 -6.195 -2.538 583 2HH1 ARG 70 HH12 ARG 70 155.927 -5.968 -1.249 584 1HH2 ARG 70 HH21 ARG 70 153.784 -4.001 0.688 585 2HH2 ARG 70 HH22 ARG 70 155.355 -4.723 0.583 586 H ALA 71 HN ALA 71 149.941 -1.620 -3.703 587 HA ALA 71 HA ALA 71 152.412 -0.013 -3.768 588 1HB ALA 71 HB1 ALA 71 150.799 1.798 -2.831 589 2HB ALA 71 HB2 ALA 71 149.546 0.780 -3.541 590 3HB ALA 71 HB3 ALA 71 150.819 1.452 -4.561 591 H ASP 72 HN ASP 72 153.375 0.579 -1.787 592 HA ASP 72 HA ASP 72 152.089 -0.666 0.565 593 1HB ASP 72 HB2 ASP 72 154.278 -1.695 -0.286 594 2HB ASP 72 HB1 ASP 72 155.062 -0.228 0.292 595 H ILE 73 HN ILE 73 151.340 0.788 1.921 596 HA ILE 73 HA ILE 73 152.692 3.396 2.130 597 HB ILE 73 HB ILE 73 149.855 2.754 2.931 598 1HG1 ILE 73 HG12 ILE 73 149.505 4.317 0.810 599 2HG1 ILE 73 HG11 ILE 73 151.050 3.614 0.341 600 1HG2 ILE 73 HG21 ILE 73 151.585 5.027 3.315 601 2HG2 ILE 73 HG22 ILE 73 149.979 4.712 3.971 602 3HG2 ILE 73 HG23 ILE 73 150.150 5.474 2.389 603 1HD1 ILE 73 HD11 ILE 73 148.409 2.464 0.289 604 2HD1 ILE 73 HD12 ILE 73 149.558 1.449 1.158 605 3HD1 ILE 73 HD13 ILE 73 149.893 1.935 -0.502 606 H SER 74 HN SER 74 154.104 3.169 3.763 607 HA SER 74 HA SER 74 153.200 1.909 6.248 608 1HB SER 74 HB2 SER 74 155.457 1.579 6.815 609 2HB SER 74 HB1 SER 74 155.423 1.303 5.075 610 HG SER 74 HG SER 74 156.769 2.889 4.874 611 H GLU 75 HN GLU 75 152.556 3.133 7.882 612 HA GLU 75 HA GLU 75 153.538 5.906 8.028 613 1HB GLU 75 HB2 GLU 75 150.843 5.047 9.053 614 2HB GLU 75 HB1 GLU 75 151.414 6.674 8.716 615 1HG GLU 75 HG2 GLU 75 151.538 5.169 6.309 616 2HG GLU 75 HG1 GLU 75 149.952 4.928 7.039 617 H ASP 76 HN ASP 76 155.224 4.927 9.408 618 HA ASP 76 HA ASP 76 154.241 4.272 12.060 619 1HB ASP 76 HB2 ASP 76 156.974 3.576 11.028 620 2HB ASP 76 HB1 ASP 76 156.143 2.908 12.428 621 H TYR 77 HN TYR 77 156.080 4.656 13.747 622 HA TYR 77 HA TYR 77 156.803 7.483 13.513 623 1HB TYR 77 HB2 TYR 77 155.484 6.197 15.507 624 2HB TYR 77 HB1 TYR 77 157.134 6.108 16.110 625 HD1 TYR 77 HD1 TYR 77 154.599 7.692 17.120 626 HD2 TYR 77 HD2 TYR 77 158.079 8.763 14.920 627 HE1 TYR 77 HE1 TYR 77 154.405 9.999 17.950 628 HE2 TYR 77 HE2 TYR 77 157.895 11.073 15.744 629 HH TYR 77 HH TYR 77 156.195 12.581 16.638 630 H LYS 78 HN LYS 78 158.765 7.076 15.801 631 HA LYS 78 HA LYS 78 161.011 6.783 16.041 632 1HB LYS 78 HB2 LYS 78 160.482 4.391 15.814 633 2HB LYS 78 HB1 LYS 78 160.560 4.532 14.063 634 1HG LYS 78 HG2 LYS 78 162.814 4.506 14.023 635 2HG LYS 78 HG1 LYS 78 162.959 5.409 15.533 636 1HD LYS 78 HD2 LYS 78 162.093 2.526 15.381 637 2HD LYS 78 HD1 LYS 78 163.762 3.035 15.639 638 1HE LYS 78 HE2 LYS 78 163.392 3.427 17.799 639 2HE LYS 78 HE1 LYS 78 161.959 4.391 17.444 640 1HZ LYS 78 HZ1 LYS 78 161.347 2.515 18.780 641 2HZ LYS 78 HZ2 LYS 78 162.083 1.436 17.706 642 3HZ LYS 78 HZ3 LYS 78 160.707 2.297 17.229 643 H THR 79 HN THR 79 160.499 8.848 14.680 644 HA THR 79 HA THR 79 161.740 10.345 13.404 645 HB THR 79 HB THR 79 162.664 8.123 11.597 646 HG1 THR 79 HG1 THR 79 163.687 8.860 14.119 647 1HG2 THR 79 HG21 THR 79 164.032 10.681 12.383 648 2HG2 THR 79 HG22 THR 79 163.050 10.484 10.932 649 3HG2 THR 79 HG23 THR 79 164.524 9.536 11.134 650 H ARG 80 HN ARG 80 159.094 8.880 13.072 651 HA ARG 80 HA ARG 80 157.288 8.899 11.702 652 1HB ARG 80 HB2 ARG 80 157.674 11.317 11.873 653 2HB ARG 80 HB1 ARG 80 158.743 11.249 10.480 654 1HG ARG 80 HG2 ARG 80 156.877 11.884 9.394 655 2HG ARG 80 HG1 ARG 80 156.557 10.148 9.400 656 1HD ARG 80 HD2 ARG 80 154.561 11.090 10.154 657 2HD ARG 80 HD1 ARG 80 155.368 10.572 11.631 658 HE ARG 80 HE ARG 80 155.011 13.328 10.708 659 1HH1 ARG 80 HH11 ARG 80 156.174 11.116 13.156 660 2HH1 ARG 80 HH12 ARG 80 156.328 12.345 14.362 661 1HH2 ARG 80 HH21 ARG 80 155.218 14.936 12.299 662 2HH2 ARG 80 HH22 ARG 80 155.787 14.510 13.879 663 H GLY 81 HN GLY 81 157.508 6.965 10.656 664 1HA GLY 81 HA2 GLY 81 159.013 6.926 8.135 665 2HA GLY 81 HA1 GLY 81 158.421 5.516 9.003 666 H ARG 82 HN ARG 82 156.675 8.458 8.106 667 HA ARG 82 HA ARG 82 154.568 6.858 6.940 668 1HB ARG 82 HB2 ARG 82 154.824 9.519 8.042 669 2HB ARG 82 HB1 ARG 82 153.999 9.562 6.489 670 1HG ARG 82 HG2 ARG 82 152.545 7.674 7.442 671 2HG ARG 82 HG1 ARG 82 153.192 8.165 9.008 672 1HD ARG 82 HD2 ARG 82 151.569 9.803 7.072 673 2HD ARG 82 HD1 ARG 82 151.137 9.318 8.711 674 HE ARG 82 HE ARG 82 153.503 10.961 8.526 675 1HH1 ARG 82 HH11 ARG 82 150.029 10.932 8.870 676 2HH1 ARG 82 HH12 ARG 82 149.968 12.488 9.629 677 1HH2 ARG 82 HH21 ARG 82 153.423 13.004 9.527 678 2HH2 ARG 82 HH22 ARG 82 151.894 13.664 10.002 679 H LYS 83 HN LYS 83 154.471 6.318 4.851 680 HA LYS 83 HA LYS 83 154.959 8.124 2.775 681 1HB LYS 83 HB2 LYS 83 157.007 7.076 1.802 682 2HB LYS 83 HB1 LYS 83 157.281 7.976 3.288 683 1HG LYS 83 HG2 LYS 83 157.832 6.125 4.474 684 2HG LYS 83 HG1 LYS 83 156.749 5.079 3.554 685 1HD LYS 83 HD2 LYS 83 158.364 4.497 2.116 686 2HD LYS 83 HD1 LYS 83 158.927 6.160 1.947 687 1HE LYS 83 HE2 LYS 83 159.514 4.726 4.484 688 2HE LYS 83 HE1 LYS 83 160.431 4.281 3.046 689 1HZ LYS 83 HZ1 LYS 83 160.417 6.808 4.532 690 2HZ LYS 83 HZ2 LYS 83 160.716 6.858 2.867 691 3HZ LYS 83 HZ3 LYS 83 161.721 5.949 3.879 692 H LEU 84 HN LEU 84 154.692 7.293 0.693 693 HA LEU 84 HA LEU 84 153.721 4.527 0.499 694 1HB LEU 84 HB2 LEU 84 152.235 5.911 -1.383 695 2HB LEU 84 HB1 LEU 84 151.646 5.289 0.139 696 HG LEU 84 HG LEU 84 150.971 7.617 -0.244 697 1HD1 LEU 84 HD11 LEU 84 150.975 7.922 1.950 698 2HD1 LEU 84 HD12 LEU 84 152.726 8.134 1.985 699 3HD1 LEU 84 HD13 LEU 84 152.031 6.516 2.077 700 1HD2 LEU 84 HD21 LEU 84 153.554 7.946 -1.195 701 2HD2 LEU 84 HD22 LEU 84 153.532 8.838 0.326 702 3HD2 LEU 84 HD23 LEU 84 152.356 9.212 -0.933 703 H LEU 85 HN LEU 85 154.435 3.455 -1.364 704 HA LEU 85 HA LEU 85 155.399 4.864 -3.653 705 1HB LEU 85 HB2 LEU 85 157.823 3.988 -3.170 706 2HB LEU 85 HB1 LEU 85 157.278 5.532 -2.537 707 HG LEU 85 HG LEU 85 156.712 3.310 -0.725 708 1HD1 LEU 85 HD11 LEU 85 159.612 3.994 -1.198 709 2HD1 LEU 85 HD12 LEU 85 158.834 2.535 -1.811 710 3HD1 LEU 85 HD13 LEU 85 158.950 2.808 -0.073 711 1HD2 LEU 85 HD21 LEU 85 158.510 5.426 0.165 712 2HD2 LEU 85 HD22 LEU 85 156.932 4.942 0.788 713 3HD2 LEU 85 HD23 LEU 85 157.039 6.047 -0.581 714 H ARG 86 HN ARG 86 156.410 1.948 -1.852 715 HA ARG 86 HA ARG 86 157.176 0.217 -3.672 716 1HB ARG 86 HB2 ARG 86 156.419 -0.095 -1.145 717 2HB ARG 86 HB1 ARG 86 155.045 -0.876 -1.915 718 1HG ARG 86 HG2 ARG 86 156.250 -2.663 -2.560 719 2HG ARG 86 HG1 ARG 86 157.688 -1.701 -2.906 720 1HD ARG 86 HD2 ARG 86 157.160 -1.663 -0.091 721 2HD ARG 86 HD1 ARG 86 157.185 -3.330 -0.663 722 HE ARG 86 HE ARG 86 159.391 -1.752 -1.613 723 1HH1 ARG 86 HH11 ARG 86 158.212 -3.730 1.010 724 2HH1 ARG 86 HH12 ARG 86 159.795 -4.146 1.574 725 1HH2 ARG 86 HH21 ARG 86 161.474 -2.298 -0.873 726 2HH2 ARG 86 HH22 ARG 86 161.647 -3.332 0.506 727 H PHE 87 HN PHE 87 156.294 0.751 -5.724 728 HA PHE 87 HA PHE 87 153.546 -0.166 -6.186 729 1HB PHE 87 HB2 PHE 87 154.806 2.142 -7.011 730 2HB PHE 87 HB1 PHE 87 154.910 1.120 -8.437 731 HD1 PHE 87 HD1 PHE 87 152.817 3.221 -6.439 732 HD2 PHE 87 HD2 PHE 87 152.776 0.119 -9.354 733 HE1 PHE 87 HE1 PHE 87 150.487 3.782 -6.997 734 HE2 PHE 87 HE2 PHE 87 150.446 0.675 -9.918 735 HZ PHE 87 HZ PHE 87 149.299 2.510 -8.740 736 H ASN 88 HN ASN 88 154.497 -2.383 -5.941 737 HA ASN 88 HA ASN 88 155.207 -3.388 -8.588 738 1HB ASN 88 HB2 ASN 88 156.972 -3.428 -6.224 739 2HB ASN 88 HB1 ASN 88 156.820 -4.968 -7.066 740 1HD2 ASN 88 HD21 ASN 88 158.816 -2.550 -6.812 741 2HD2 ASN 88 HD22 ASN 88 159.397 -2.395 -8.432 742 H GLY 89 HN GLY 89 153.611 -4.770 -9.009 743 1HA GLY 89 HA2 GLY 89 152.710 -6.553 -6.828 744 2HA GLY 89 HA1 GLY 89 151.656 -5.968 -8.106 745 HA PRO 90 HA PRO 90 154.477 -9.405 -9.964 746 1HB PRO 90 HB2 PRO 90 155.659 -11.097 -8.249 747 2HB PRO 90 HB1 PRO 90 156.400 -9.551 -8.682 748 1HG PRO 90 HG2 PRO 90 154.848 -10.288 -6.231 749 2HG PRO 90 HG1 PRO 90 156.333 -9.330 -6.369 750 1HD PRO 90 HD2 PRO 90 153.831 -8.242 -6.097 751 2HD PRO 90 HD1 PRO 90 155.191 -7.413 -6.875 752 H VAL 91 HN VAL 91 151.819 -9.495 -9.570 753 HA VAL 91 HA VAL 91 149.963 -10.800 -9.263 754 HB VAL 91 HB VAL 91 151.038 -11.744 -11.297 755 1HG1 VAL 91 HG11 VAL 91 152.175 -13.729 -9.336 756 2HG1 VAL 91 HG12 VAL 91 153.063 -12.649 -10.412 757 3HG1 VAL 91 HG13 VAL 91 152.122 -13.981 -11.082 758 1HG2 VAL 91 HG21 VAL 91 149.847 -14.143 -10.108 759 2HG2 VAL 91 HG22 VAL 91 149.353 -13.207 -11.520 760 3HG2 VAL 91 HG23 VAL 91 148.893 -12.674 -9.902 Start of MODEL 7 1 1H GLY 1 HT1 GLY 1 152.698 -6.721 17.681 2 2H GLY 1 HT2 GLY 1 151.418 -7.188 18.684 3 3H GLY 1 HT3 GLY 1 151.938 -5.578 18.672 4 1HA GLY 1 HA1 GLY 1 149.844 -6.483 17.279 5 2HA GLY 1 HA2 GLY 1 150.766 -5.047 16.862 6 H GLU 2 HN GLU 2 151.231 -4.967 14.779 7 HA GLU 2 HA GLU 2 151.844 -5.556 12.671 8 1HB GLU 2 HB2 GLU 2 153.010 -7.974 14.063 9 2HB GLU 2 HB1 GLU 2 153.337 -7.509 12.400 10 1HG GLU 2 HG2 GLU 2 154.714 -5.811 12.994 11 2HG GLU 2 HG1 GLU 2 153.841 -5.478 14.490 12 H TRP 3 HN TRP 3 151.013 -6.651 10.910 13 HA TRP 3 HA TRP 3 149.534 -7.907 9.722 14 1HB TRP 3 HB2 TRP 3 150.865 -9.761 10.817 15 2HB TRP 3 HB1 TRP 3 149.592 -9.856 12.029 16 HD1 TRP 3 HD1 TRP 3 146.995 -10.171 10.743 17 HE1 TRP 3 HE1 TRP 3 146.430 -11.921 8.943 18 HE3 TRP 3 HE3 TRP 3 151.723 -11.178 9.075 19 HZ2 TRP 3 HZ2 TRP 3 147.805 -13.518 7.064 20 HZ3 TRP 3 HZ3 TRP 3 152.012 -12.830 7.274 21 HH2 TRP 3 HH2 TRP 3 150.092 -13.976 6.291 22 H GLU 4 HN GLU 4 147.784 -6.540 9.775 23 HA GLU 4 HA GLU 4 145.635 -7.332 11.600 24 1HB GLU 4 HB2 GLU 4 146.979 -5.137 12.234 25 2HB GLU 4 HB1 GLU 4 145.942 -4.422 11.007 26 1HG GLU 4 HG2 GLU 4 145.045 -4.184 13.280 27 2HG GLU 4 HG1 GLU 4 143.972 -5.088 12.213 28 H ILE 5 HN ILE 5 145.593 -8.304 9.170 29 HA ILE 5 HA ILE 5 144.117 -6.549 7.425 30 HB ILE 5 HB ILE 5 144.801 -9.358 6.740 31 1HG1 ILE 5 HG12 ILE 5 146.893 -8.206 5.679 32 2HG1 ILE 5 HG11 ILE 5 146.662 -7.048 6.979 33 1HG2 ILE 5 HG21 ILE 5 144.842 -8.480 4.484 34 2HG2 ILE 5 HG22 ILE 5 144.528 -6.860 5.111 35 3HG2 ILE 5 HG23 ILE 5 143.311 -8.125 5.285 36 1HD1 ILE 5 HD11 ILE 5 147.635 -8.414 8.417 37 2HD1 ILE 5 HD12 ILE 5 148.025 -9.478 7.066 38 3HD1 ILE 5 HD13 ILE 5 146.542 -9.728 7.987 39 H ILE 6 HN ILE 6 141.966 -6.928 6.817 40 HA ILE 6 HA ILE 6 140.621 -9.332 7.653 41 HB ILE 6 HB ILE 6 138.848 -7.737 8.861 42 1HG1 ILE 6 HG12 ILE 6 141.239 -6.560 10.124 43 2HG1 ILE 6 HG11 ILE 6 140.877 -5.936 8.519 44 1HG2 ILE 6 HG21 ILE 6 141.073 -8.519 10.630 45 2HG2 ILE 6 HG22 ILE 6 140.412 -9.788 9.599 46 3HG2 ILE 6 HG23 ILE 6 139.357 -8.919 10.714 47 1HD1 ILE 6 HD11 ILE 6 139.569 -5.432 11.045 48 2HD1 ILE 6 HD12 ILE 6 138.430 -5.929 9.794 49 3HD1 ILE 6 HD13 ILE 6 139.484 -4.540 9.527 50 H GLU 7 HN GLU 7 139.434 -6.007 7.176 51 HA GLU 7 HA GLU 7 137.327 -6.821 5.494 52 1HB GLU 7 HB2 GLU 7 138.461 -4.044 5.442 53 2HB GLU 7 HB1 GLU 7 136.791 -4.558 5.253 54 1HG GLU 7 HG2 GLU 7 137.165 -5.415 7.731 55 2HG GLU 7 HG1 GLU 7 138.387 -4.144 7.716 56 H ILE 8 HN ILE 8 136.977 -5.974 3.276 57 HA ILE 8 HA ILE 8 139.388 -5.764 1.644 58 HB ILE 8 HB ILE 8 137.256 -7.767 0.921 59 1HG1 ILE 8 HG12 ILE 8 139.328 -9.351 1.482 60 2HG1 ILE 8 HG11 ILE 8 139.686 -8.058 2.621 61 1HG2 ILE 8 HG21 ILE 8 139.390 -8.558 -0.430 62 2HG2 ILE 8 HG22 ILE 8 139.821 -6.857 -0.259 63 3HG2 ILE 8 HG23 ILE 8 138.309 -7.309 -1.044 64 1HD1 ILE 8 HD11 ILE 8 138.221 -10.114 3.310 65 2HD1 ILE 8 HD12 ILE 8 136.934 -9.175 2.554 66 3HD1 ILE 8 HD13 ILE 8 137.847 -8.495 3.901 67 H GLY 9 HN GLY 9 136.733 -4.276 2.436 68 1HA GLY 9 HA2 GLY 9 135.720 -3.765 -0.271 69 2HA GLY 9 HA1 GLY 9 134.943 -3.274 1.228 70 HA PRO 10 HA PRO 10 136.487 0.809 0.401 71 1HB PRO 10 HB2 PRO 10 136.507 1.737 2.996 72 2HB PRO 10 HB1 PRO 10 135.071 1.690 1.968 73 1HG PRO 10 HG2 PRO 10 135.948 -0.228 4.089 74 2HG PRO 10 HG1 PRO 10 134.321 0.379 3.728 75 1HD PRO 10 HD2 PRO 10 135.112 -2.068 2.957 76 2HD PRO 10 HD1 PRO 10 134.036 -1.078 1.948 77 H PHE 11 HN PHE 11 137.832 -1.218 2.924 78 HA PHE 11 HA PHE 11 140.164 0.119 3.538 79 1HB PHE 11 HB2 PHE 11 139.468 -1.791 4.814 80 2HB PHE 11 HB1 PHE 11 139.544 -2.834 3.402 81 HD1 PHE 11 HD1 PHE 11 141.935 -3.014 2.299 82 HD2 PHE 11 HD2 PHE 11 141.190 -1.834 6.319 83 HE1 PHE 11 HE1 PHE 11 144.221 -3.679 2.914 84 HE2 PHE 11 HE2 PHE 11 143.477 -2.494 6.938 85 HZ PHE 11 HZ PHE 11 144.992 -3.422 5.231 86 H THR 12 HN THR 12 139.319 -1.686 0.688 87 HA THR 12 HA THR 12 142.063 -1.764 -0.271 88 HB THR 12 HB THR 12 140.365 -2.594 -2.331 89 HG1 THR 12 HG1 THR 12 139.032 -4.112 -1.204 90 1HG2 THR 12 HG21 THR 12 141.116 -4.790 -0.626 91 2HG2 THR 12 HG22 THR 12 142.455 -3.669 -0.870 92 3HG2 THR 12 HG23 THR 12 141.646 -4.395 -2.258 93 H GLN 13 HN GLN 13 138.991 -0.723 -1.755 94 HA GLN 13 HA GLN 13 139.885 0.751 -3.836 95 1HB GLN 13 HB2 GLN 13 137.517 0.415 -3.360 96 2HB GLN 13 HB1 GLN 13 137.620 1.499 -1.979 97 1HG GLN 13 HG2 GLN 13 138.086 3.369 -3.433 98 2HG GLN 13 HG1 GLN 13 138.111 2.302 -4.838 99 1HE2 GLN 13 HE21 GLN 13 136.324 4.543 -3.405 100 2HE2 GLN 13 HE22 GLN 13 134.733 4.014 -3.824 101 H ASN 14 HN ASN 14 139.955 1.719 -0.465 102 HA ASN 14 HA ASN 14 140.475 4.423 -0.711 103 1HB ASN 14 HB2 ASN 14 140.724 2.396 1.339 104 2HB ASN 14 HB1 ASN 14 142.066 3.532 1.425 105 1HD2 ASN 14 HD21 ASN 14 141.738 5.260 2.611 106 2HD2 ASN 14 HD22 ASN 14 140.206 5.957 3.000 107 H LEU 15 HN LEU 15 142.897 1.844 -0.281 108 HA LEU 15 HA LEU 15 145.173 3.341 -0.666 109 1HB LEU 15 HB2 LEU 15 144.475 0.490 -1.195 110 2HB LEU 15 HB1 LEU 15 145.997 1.095 -1.819 111 HG LEU 15 HG LEU 15 146.554 0.124 0.232 112 1HD1 LEU 15 HD11 LEU 15 146.118 2.980 1.047 113 2HD1 LEU 15 HD12 LEU 15 147.355 2.496 -0.112 114 3HD1 LEU 15 HD13 LEU 15 147.405 1.880 1.539 115 1HD2 LEU 15 HD21 LEU 15 144.991 -0.325 1.732 116 2HD2 LEU 15 HD22 LEU 15 143.867 0.771 0.932 117 3HD2 LEU 15 HD23 LEU 15 144.949 1.379 2.183 118 H GLY 16 HN GLY 16 142.835 2.245 -2.996 119 1HA GLY 16 HA2 GLY 16 144.322 2.586 -5.358 120 2HA GLY 16 HA1 GLY 16 142.571 2.687 -5.232 121 H LYS 17 HN LYS 17 142.417 4.873 -3.432 122 HA LYS 17 HA LYS 17 142.562 7.029 -5.245 123 1HB LYS 17 HB2 LYS 17 141.614 6.574 -2.575 124 2HB LYS 17 HB1 LYS 17 142.545 8.063 -2.605 125 1HG LYS 17 HG2 LYS 17 141.149 8.806 -4.539 126 2HG LYS 17 HG1 LYS 17 140.141 7.380 -4.277 127 1HD LYS 17 HD2 LYS 17 140.221 8.404 -1.774 128 2HD LYS 17 HD1 LYS 17 140.327 9.881 -2.733 129 1HE LYS 17 HE2 LYS 17 138.345 8.836 -4.059 130 2HE LYS 17 HE1 LYS 17 138.136 7.850 -2.613 131 1HZ LYS 17 HZ1 LYS 17 138.428 10.723 -2.216 132 2HZ LYS 17 HZ2 LYS 17 137.446 9.613 -1.400 133 3HZ LYS 17 HZ3 LYS 17 136.980 10.200 -2.916 134 H PHE 18 HN PHE 18 144.447 6.455 -2.271 135 HA PHE 18 HA PHE 18 146.349 8.486 -2.873 136 1HB PHE 18 HB2 PHE 18 146.704 6.178 -0.959 137 2HB PHE 18 HB1 PHE 18 147.544 7.725 -0.930 138 HD1 PHE 18 HD1 PHE 18 146.381 9.754 -0.210 139 HD2 PHE 18 HD2 PHE 18 144.506 5.937 -0.061 140 HE1 PHE 18 HE1 PHE 18 144.665 10.662 1.303 141 HE2 PHE 18 HE2 PHE 18 142.785 6.837 1.452 142 HZ PHE 18 HZ PHE 18 142.863 9.203 2.135 143 H ALA 19 HN ALA 19 145.907 5.407 -4.109 144 HA ALA 19 HA ALA 19 148.573 4.537 -4.445 145 1HB ALA 19 HB1 ALA 19 147.216 3.426 -6.550 146 2HB ALA 19 HB2 ALA 19 145.929 3.741 -5.388 147 3HB ALA 19 HB3 ALA 19 147.312 2.753 -4.923 148 H VAL 20 HN VAL 20 146.414 5.546 -7.082 149 HA VAL 20 HA VAL 20 148.448 6.123 -8.897 150 HB VAL 20 HB VAL 20 146.103 5.792 -9.556 151 1HG1 VAL 20 HG11 VAL 20 144.524 7.704 -9.356 152 2HG1 VAL 20 HG12 VAL 20 145.688 8.498 -8.295 153 3HG1 VAL 20 HG13 VAL 20 144.954 6.971 -7.811 154 1HG2 VAL 20 HG21 VAL 20 146.074 8.126 -10.947 155 2HG2 VAL 20 HG22 VAL 20 147.035 6.713 -11.381 156 3HG2 VAL 20 HG23 VAL 20 147.769 8.030 -10.468 157 H ASP 21 HN ASP 21 146.923 8.148 -6.456 158 HA ASP 21 HA ASP 21 147.937 10.625 -7.365 159 1HB ASP 21 HB2 ASP 21 146.955 9.662 -4.683 160 2HB ASP 21 HB1 ASP 21 147.549 11.304 -4.918 161 H GLU 22 HN GLU 22 149.329 8.076 -5.407 162 HA GLU 22 HA GLU 22 151.692 9.761 -4.947 163 1HB GLU 22 HB2 GLU 22 150.317 8.180 -3.177 164 2HB GLU 22 HB1 GLU 22 151.660 7.143 -3.636 165 1HG GLU 22 HG2 GLU 22 153.113 8.331 -2.446 166 2HG GLU 22 HG1 GLU 22 152.509 9.859 -3.085 167 H GLU 23 HN GLU 23 150.584 7.405 -7.033 168 HA GLU 23 HA GLU 23 152.686 5.642 -7.384 169 1HB GLU 23 HB2 GLU 23 150.638 5.353 -8.614 170 2HB GLU 23 HB1 GLU 23 150.846 6.898 -9.426 171 1HG GLU 23 HG2 GLU 23 152.817 6.016 -10.579 172 2HG GLU 23 HG1 GLU 23 152.584 4.465 -9.780 173 H ASN 24 HN ASN 24 152.467 9.008 -8.144 174 HA ASN 24 HA ASN 24 154.631 9.132 -9.982 175 1HB ASN 24 HB2 ASN 24 152.994 11.105 -8.450 176 2HB ASN 24 HB1 ASN 24 154.510 11.648 -9.162 177 1HD2 ASN 24 HD21 ASN 24 151.916 9.460 -10.195 178 2HD2 ASN 24 HD22 ASN 24 151.645 10.224 -11.720 179 H LYS 25 HN LYS 25 154.588 8.540 -6.678 180 HA LYS 25 HA LYS 25 156.983 9.974 -5.989 181 1HB LYS 25 HB2 LYS 25 155.330 9.575 -4.271 182 2HB LYS 25 HB1 LYS 25 155.421 7.840 -4.525 183 1HG LYS 25 HG2 LYS 25 157.381 7.635 -3.382 184 2HG LYS 25 HG1 LYS 25 157.916 9.267 -3.785 185 1HD LYS 25 HD2 LYS 25 155.695 9.758 -2.272 186 2HD LYS 25 HD1 LYS 25 156.339 8.305 -1.508 187 1HE LYS 25 HE2 LYS 25 158.414 10.245 -2.120 188 2HE LYS 25 HE1 LYS 25 157.169 10.908 -1.064 189 1HZ LYS 25 HZ1 LYS 25 157.741 8.378 -0.098 190 2HZ LYS 25 HZ2 LYS 25 158.158 9.861 0.601 191 3HZ LYS 25 HZ3 LYS 25 159.239 9.085 -0.442 192 H ILE 26 HN ILE 26 156.601 6.527 -5.284 193 HA ILE 26 HA ILE 26 159.212 5.796 -5.529 194 HB ILE 26 HB ILE 26 157.416 4.319 -4.698 195 1HG1 ILE 26 HG12 ILE 26 158.301 2.199 -5.750 196 2HG1 ILE 26 HG11 ILE 26 159.225 3.217 -6.852 197 1HG2 ILE 26 HG21 ILE 26 155.690 4.593 -6.284 198 2HG2 ILE 26 HG22 ILE 26 156.218 2.917 -6.421 199 3HG2 ILE 26 HG23 ILE 26 156.736 4.104 -7.617 200 1HD1 ILE 26 HD11 ILE 26 159.661 2.618 -4.005 201 2HD1 ILE 26 HD12 ILE 26 159.994 4.273 -4.515 202 3HD1 ILE 26 HD13 ILE 26 160.821 2.925 -5.297 203 H GLY 27 HN GLY 27 156.919 6.286 -8.133 204 1HA GLY 27 HA2 GLY 27 158.869 5.304 -10.094 205 2HA GLY 27 HA1 GLY 27 157.179 5.658 -10.413 206 H GLN 28 HN GLN 28 159.029 6.572 -12.154 207 HA GLN 28 HA GLN 28 159.502 9.384 -11.476 208 1HB GLN 28 HB2 GLN 28 160.928 7.425 -13.008 209 2HB GLN 28 HB1 GLN 28 160.520 8.777 -14.054 210 1HG GLN 28 HG2 GLN 28 161.606 9.495 -11.418 211 2HG GLN 28 HG1 GLN 28 162.717 8.669 -12.508 212 1HE2 GLN 28 HE21 GLN 28 164.016 10.215 -13.239 213 2HE2 GLN 28 HE22 GLN 28 163.503 11.687 -13.981 214 H TYR 29 HN TYR 29 157.738 7.312 -13.678 215 HA TYR 29 HA TYR 29 156.323 9.689 -14.686 216 1HB TYR 29 HB2 TYR 29 157.748 7.636 -16.181 217 2HB TYR 29 HB1 TYR 29 156.069 7.776 -16.690 218 HD1 TYR 29 HD1 TYR 29 155.486 10.593 -16.499 219 HD2 TYR 29 HD2 TYR 29 159.077 8.685 -17.756 220 HE1 TYR 29 HE1 TYR 29 156.057 12.567 -17.849 221 HE2 TYR 29 HE2 TYR 29 159.656 10.655 -19.108 222 HH TYR 29 HH TYR 29 157.597 12.913 -20.047 223 H GLY 30 HN GLY 30 154.395 9.612 -13.712 224 1HA GLY 30 HA2 GLY 30 153.134 7.129 -12.996 225 2HA GLY 30 HA1 GLY 30 152.466 8.739 -12.779 226 H ARG 31 HN ARG 31 150.874 6.646 -13.587 227 HA ARG 31 HA ARG 31 149.932 7.651 -16.128 228 1HB ARG 31 HB2 ARG 31 151.576 5.378 -16.108 229 2HB ARG 31 HB1 ARG 31 149.941 4.762 -16.299 230 1HG ARG 31 HG2 ARG 31 149.865 6.740 -18.097 231 2HG ARG 31 HG1 ARG 31 151.592 6.376 -18.139 232 1HD ARG 31 HD2 ARG 31 150.409 3.884 -18.169 233 2HD ARG 31 HD1 ARG 31 149.334 4.856 -19.172 234 HE ARG 31 HE ARG 31 151.792 5.475 -20.116 235 1HH1 ARG 31 HH11 ARG 31 150.142 2.453 -19.552 236 2HH1 ARG 31 HH12 ARG 31 150.960 1.623 -20.833 237 1HH2 ARG 31 HH21 ARG 31 152.870 4.387 -21.800 238 2HH2 ARG 31 HH22 ARG 31 152.510 2.722 -22.109 239 H LEU 32 HN LEU 32 147.982 5.977 -16.778 240 HA LEU 32 HA LEU 32 146.055 6.371 -14.725 241 1HB LEU 32 HB2 LEU 32 146.025 5.041 -17.411 242 2HB LEU 32 HB1 LEU 32 144.654 4.874 -16.330 243 HG LEU 32 HG LEU 32 145.105 7.603 -16.348 244 1HD1 LEU 32 HD11 LEU 32 146.489 7.884 -18.127 245 2HD1 LEU 32 HD12 LEU 32 144.949 7.848 -18.986 246 3HD1 LEU 32 HD13 LEU 32 145.955 6.402 -18.921 247 1HD2 LEU 32 HD21 LEU 32 142.907 7.073 -16.433 248 2HD2 LEU 32 HD22 LEU 32 143.161 5.722 -17.538 249 3HD2 LEU 32 HD23 LEU 32 143.143 7.374 -18.154 250 H THR 33 HN THR 33 145.625 5.121 -13.041 251 HA THR 33 HA THR 33 145.872 2.229 -13.257 252 HB THR 33 HB THR 33 147.084 3.354 -10.799 253 HG1 THR 33 HG1 THR 33 148.435 4.517 -11.898 254 1HG2 THR 33 HG21 THR 33 146.951 0.923 -11.245 255 2HG2 THR 33 HG22 THR 33 148.591 1.514 -10.983 256 3HG2 THR 33 HG23 THR 33 148.033 1.157 -12.617 257 H PHE 34 HN PHE 34 143.716 4.233 -12.906 258 HA PHE 34 HA PHE 34 142.737 3.502 -10.236 259 1HB PHE 34 HB2 PHE 34 142.824 5.959 -11.405 260 2HB PHE 34 HB1 PHE 34 141.191 5.450 -11.822 261 HD1 PHE 34 HD1 PHE 34 142.573 7.561 -9.759 262 HD2 PHE 34 HD2 PHE 34 140.402 3.913 -9.463 263 HE1 PHE 34 HE1 PHE 34 141.806 8.204 -7.511 264 HE2 PHE 34 HE2 PHE 34 139.630 4.550 -7.217 265 HZ PHE 34 HZ PHE 34 140.331 6.699 -6.237 266 H ASN 35 HN ASN 35 142.705 1.715 -12.595 267 HA ASN 35 HA ASN 35 140.037 1.591 -13.583 268 1HB ASN 35 HB2 ASN 35 142.236 0.585 -14.564 269 2HB ASN 35 HB1 ASN 35 141.858 -0.790 -13.530 270 1HD2 ASN 35 HD21 ASN 35 140.671 1.212 -16.158 271 2HD2 ASN 35 HD22 ASN 35 139.604 0.028 -16.825 272 H LYS 36 HN LYS 36 141.800 -0.598 -11.364 273 HA LYS 36 HA LYS 36 139.458 -0.845 -9.692 274 1HB LYS 36 HB2 LYS 36 139.453 -2.543 -11.768 275 2HB LYS 36 HB1 LYS 36 140.441 -3.475 -10.651 276 1HG LYS 36 HG2 LYS 36 138.704 -3.526 -9.028 277 2HG LYS 36 HG1 LYS 36 137.740 -2.362 -9.940 278 1HD LYS 36 HD2 LYS 36 138.085 -4.288 -11.806 279 2HD LYS 36 HD1 LYS 36 138.087 -5.262 -10.333 280 1HE LYS 36 HE2 LYS 36 135.973 -3.192 -10.807 281 2HE LYS 36 HE1 LYS 36 135.841 -4.796 -11.527 282 1HZ LYS 36 HZ1 LYS 36 135.861 -5.789 -9.379 283 2HZ LYS 36 HZ2 LYS 36 134.707 -4.553 -9.349 284 3HZ LYS 36 HZ3 LYS 36 136.216 -4.319 -8.621 285 H VAL 37 HN VAL 37 140.900 -0.017 -8.123 286 HA VAL 37 HA VAL 37 143.253 -1.568 -7.427 287 HB VAL 37 HB VAL 37 142.133 0.738 -5.848 288 1HG1 VAL 37 HG11 VAL 37 144.274 -0.945 -5.406 289 2HG1 VAL 37 HG12 VAL 37 144.020 0.634 -4.667 290 3HG1 VAL 37 HG13 VAL 37 145.015 0.489 -6.114 291 1HG2 VAL 37 HG21 VAL 37 142.307 1.856 -7.828 292 2HG2 VAL 37 HG22 VAL 37 143.526 0.756 -8.472 293 3HG2 VAL 37 HG23 VAL 37 143.980 1.982 -7.287 294 H ILE 38 HN ILE 38 142.706 -3.507 -6.510 295 HA ILE 38 HA ILE 38 141.543 -3.396 -3.881 296 HB ILE 38 HB ILE 38 139.820 -5.179 -4.428 297 1HG1 ILE 38 HG12 ILE 38 139.724 -4.134 -7.206 298 2HG1 ILE 38 HG11 ILE 38 140.994 -5.302 -6.850 299 1HG2 ILE 38 HG21 ILE 38 139.528 -2.598 -4.128 300 2HG2 ILE 38 HG22 ILE 38 138.182 -3.595 -4.677 301 3HG2 ILE 38 HG23 ILE 38 139.116 -2.655 -5.842 302 1HD1 ILE 38 HD11 ILE 38 139.299 -6.881 -6.055 303 2HD1 ILE 38 HD12 ILE 38 139.037 -6.408 -7.733 304 3HD1 ILE 38 HD13 ILE 38 138.039 -5.712 -6.455 305 H LYS 39 HN LYS 39 140.940 -6.478 -4.957 306 HA LYS 39 HA LYS 39 141.989 -8.475 -4.845 307 1HB LYS 39 HB2 LYS 39 144.130 -6.675 -5.626 308 2HB LYS 39 HB1 LYS 39 144.719 -8.011 -4.647 309 1HG LYS 39 HG2 LYS 39 144.838 -9.070 -6.617 310 2HG LYS 39 HG1 LYS 39 143.112 -9.335 -6.359 311 1HD LYS 39 HD2 LYS 39 142.780 -7.100 -7.566 312 2HD LYS 39 HD1 LYS 39 144.458 -7.277 -8.081 313 1HE LYS 39 HE2 LYS 39 143.788 -8.587 -9.744 314 2HE LYS 39 HE1 LYS 39 143.179 -9.748 -8.564 315 1HZ LYS 39 HZ1 LYS 39 141.605 -7.410 -9.483 316 2HZ LYS 39 HZ2 LYS 39 141.054 -8.753 -8.615 317 3HZ LYS 39 HZ3 LYS 39 141.522 -8.925 -10.230 318 HA PRO 40 HA PRO 40 142.645 -9.464 -0.636 319 1HB PRO 40 HB2 PRO 40 144.838 -11.167 -0.739 320 2HB PRO 40 HB1 PRO 40 143.158 -11.643 -1.005 321 1HG PRO 40 HG2 PRO 40 145.289 -11.011 -2.999 322 2HG PRO 40 HG1 PRO 40 144.038 -12.266 -3.052 323 1HD PRO 40 HD2 PRO 40 143.807 -10.024 -4.486 324 2HD PRO 40 HD1 PRO 40 142.390 -10.770 -3.718 325 H CYS 41 HN CYS 41 143.319 -7.284 -0.144 326 HA CYS 41 HA CYS 41 146.073 -6.546 -0.144 327 1HB CYS 41 HB2 CYS 41 145.196 -4.713 1.464 328 2HB CYS 41 HB1 CYS 41 144.654 -4.708 -0.207 329 HG CYS 41 HG CYS 41 142.492 -4.432 0.993 330 H MET 42 HN MET 42 146.939 -5.626 2.086 331 HA MET 42 HA MET 42 146.368 -7.159 4.431 332 1HB MET 42 HB2 MET 42 148.668 -7.946 2.665 333 2HB MET 42 HB1 MET 42 148.807 -8.121 4.408 334 1HG MET 42 HG2 MET 42 146.527 -9.379 4.157 335 2HG MET 42 HG1 MET 42 147.058 -9.570 2.487 336 1HE MET 42 HE1 MET 42 150.198 -11.696 2.679 337 2HE MET 42 HE2 MET 42 149.586 -10.182 2.009 338 3HE MET 42 HE3 MET 42 148.671 -11.677 1.795 339 H LYS 43 HN LYS 43 146.584 -5.520 5.851 340 HA LYS 43 HA LYS 43 148.869 -3.695 5.563 341 1HB LYS 43 HB2 LYS 43 147.667 -2.142 6.966 342 2HB LYS 43 HB1 LYS 43 146.616 -2.668 5.662 343 1HG LYS 43 HG2 LYS 43 145.251 -3.881 7.071 344 2HG LYS 43 HG1 LYS 43 146.508 -4.070 8.294 345 1HD LYS 43 HD2 LYS 43 145.175 -1.453 7.613 346 2HD LYS 43 HD1 LYS 43 144.687 -2.501 8.945 347 1HE LYS 43 HE2 LYS 43 147.541 -1.946 8.945 348 2HE LYS 43 HE1 LYS 43 146.569 -0.480 9.054 349 1HZ LYS 43 HZ1 LYS 43 145.327 -2.051 10.815 350 2HZ LYS 43 HZ2 LYS 43 146.571 -0.982 11.228 351 3HZ LYS 43 HZ3 LYS 43 146.912 -2.619 10.979 352 H LYS 44 HN LYS 44 149.594 -2.809 7.814 353 HA LYS 44 HA LYS 44 149.712 -4.943 9.810 354 1HB LYS 44 HB2 LYS 44 152.119 -3.613 8.559 355 2HB LYS 44 HB1 LYS 44 152.187 -4.555 10.040 356 1HG LYS 44 HG2 LYS 44 150.983 -6.339 8.452 357 2HG LYS 44 HG1 LYS 44 151.895 -5.437 7.240 358 1HD LYS 44 HD2 LYS 44 153.456 -6.068 9.624 359 2HD LYS 44 HD1 LYS 44 152.863 -7.501 8.781 360 1HE LYS 44 HE2 LYS 44 153.755 -5.922 6.723 361 2HE LYS 44 HE1 LYS 44 154.918 -5.571 8.002 362 1HZ LYS 44 HZ1 LYS 44 155.412 -7.892 8.201 363 2HZ LYS 44 HZ2 LYS 44 155.563 -7.455 6.573 364 3HZ LYS 44 HZ3 LYS 44 154.198 -8.306 7.095 365 H THR 45 HN THR 45 151.301 -3.933 11.670 366 HA THR 45 HA THR 45 150.999 -1.158 12.102 367 HB THR 45 HB THR 45 149.299 -3.010 13.772 368 HG1 THR 45 HG1 THR 45 148.655 -1.070 11.820 369 1HG2 THR 45 HG21 THR 45 148.380 -0.829 14.660 370 2HG2 THR 45 HG22 THR 45 149.824 -0.068 13.991 371 3HG2 THR 45 HG23 THR 45 149.978 -1.309 15.235 372 H ILE 46 HN ILE 46 152.306 -0.406 13.750 373 HA ILE 46 HA ILE 46 153.568 -2.400 15.490 374 HB ILE 46 HB ILE 46 155.791 -1.157 15.059 375 1HG1 ILE 46 HG12 ILE 46 154.520 0.537 13.562 376 2HG1 ILE 46 HG11 ILE 46 156.099 -0.033 13.035 377 1HG2 ILE 46 HG21 ILE 46 155.377 -3.505 14.531 378 2HG2 ILE 46 HG22 ILE 46 156.386 -2.736 13.305 379 3HG2 ILE 46 HG23 ILE 46 154.679 -3.036 12.981 380 1HD1 ILE 46 HD11 ILE 46 155.259 -1.092 11.240 381 2HD1 ILE 46 HD12 ILE 46 153.940 0.058 11.456 382 3HD1 ILE 46 HD13 ILE 46 153.789 -1.585 12.078 383 H TYR 47 HN TYR 47 152.698 -1.584 17.331 384 HA TYR 47 HA TYR 47 153.224 1.245 17.932 385 1HB TYR 47 HB2 TYR 47 151.437 1.092 19.592 386 2HB TYR 47 HB1 TYR 47 150.850 0.603 18.007 387 HD1 TYR 47 HD1 TYR 47 151.319 -0.372 21.437 388 HD2 TYR 47 HD2 TYR 47 150.592 -1.860 17.517 389 HE1 TYR 47 HE1 TYR 47 150.518 -2.491 22.396 390 HE2 TYR 47 HE2 TYR 47 149.789 -3.982 18.465 391 HH TYR 47 HH TYR 47 150.245 -4.829 21.727 392 H GLU 48 HN GLU 48 154.058 1.829 19.974 393 HA GLU 48 HA GLU 48 155.953 -0.057 21.005 394 1HB GLU 48 HB2 GLU 48 156.616 2.255 20.780 395 2HB GLU 48 HB1 GLU 48 155.305 2.765 21.833 396 1HG GLU 48 HG2 GLU 48 156.444 2.276 23.699 397 2HG GLU 48 HG1 GLU 48 157.122 0.797 23.021 398 H ASN 49 HN ASN 49 153.946 2.035 22.943 399 HA ASN 49 HA ASN 49 152.412 0.006 24.174 400 1HB ASN 49 HB2 ASN 49 155.075 0.502 25.284 401 2HB ASN 49 HB1 ASN 49 153.789 0.684 26.473 402 1HD2 ASN 49 HD21 ASN 49 151.989 -1.181 25.724 403 2HD2 ASN 49 HD22 ASN 49 152.673 -2.762 25.847 404 H GLU 50 HN GLU 50 154.082 3.004 25.141 405 HA GLU 50 HA GLU 50 151.534 4.051 26.135 406 1HB GLU 50 HB2 GLU 50 153.760 4.084 27.468 407 2HB GLU 50 HB1 GLU 50 154.193 5.424 26.418 408 1HG GLU 50 HG2 GLU 50 153.316 6.488 28.263 409 2HG GLU 50 HG1 GLU 50 151.941 6.437 27.161 410 H ARG 51 HN ARG 51 151.946 3.811 23.327 411 HA ARG 51 HA ARG 51 151.581 4.990 21.420 412 1HB ARG 51 HB2 ARG 51 149.890 6.175 22.786 413 2HB ARG 51 HB1 ARG 51 151.120 7.330 23.280 414 1HG ARG 51 HG2 ARG 51 151.228 8.310 21.186 415 2HG ARG 51 HG1 ARG 51 150.533 6.902 20.381 416 1HD ARG 51 HD2 ARG 51 148.705 8.251 20.357 417 2HD ARG 51 HD1 ARG 51 148.470 7.514 21.940 418 HE ARG 51 HE ARG 51 149.236 10.255 21.379 419 1HH1 ARG 51 HH11 ARG 51 148.943 7.734 23.779 420 2HH1 ARG 51 HH12 ARG 51 148.912 8.839 25.111 421 1HH2 ARG 51 HH21 ARG 51 149.200 11.703 23.130 422 2HH2 ARG 51 HH22 ARG 51 149.059 11.090 24.745 423 H GLU 52 HN GLU 52 154.154 4.543 21.865 424 HA GLU 52 HA GLU 52 155.576 7.083 21.666 425 1HB GLU 52 HB2 GLU 52 156.752 4.310 21.741 426 2HB GLU 52 HB1 GLU 52 157.608 5.827 21.971 427 1HG GLU 52 HG2 GLU 52 155.657 5.927 23.899 428 2HG GLU 52 HG1 GLU 52 156.103 4.222 23.870 429 H ILE 53 HN ILE 53 154.442 4.547 19.698 430 HA ILE 53 HA ILE 53 155.595 5.848 17.377 431 HB ILE 53 HB ILE 53 157.237 4.227 17.542 432 1HG1 ILE 53 HG12 ILE 53 155.294 2.651 15.878 433 2HG1 ILE 53 HG11 ILE 53 155.868 4.225 15.336 434 1HG2 ILE 53 HG21 ILE 53 155.785 1.759 17.803 435 2HG2 ILE 53 HG22 ILE 53 155.414 2.855 19.133 436 3HG2 ILE 53 HG23 ILE 53 157.087 2.415 18.797 437 1HD1 ILE 53 HD11 ILE 53 158.127 2.732 16.126 438 2HD1 ILE 53 HD12 ILE 53 157.663 3.250 14.504 439 3HD1 ILE 53 HD13 ILE 53 157.122 1.688 15.120 440 H LYS 54 HN LYS 54 154.091 2.720 17.392 441 HA LYS 54 HA LYS 54 152.084 1.939 16.659 442 1HB LYS 54 HB2 LYS 54 151.256 3.874 18.136 443 2HB LYS 54 HB1 LYS 54 151.016 4.742 16.626 444 1HG LYS 54 HG2 LYS 54 149.529 2.941 15.854 445 2HG LYS 54 HG1 LYS 54 149.730 2.137 17.412 446 1HD LYS 54 HD2 LYS 54 147.705 3.329 17.581 447 2HD LYS 54 HD1 LYS 54 148.891 4.294 18.462 448 1HE LYS 54 HE2 LYS 54 148.657 4.937 15.607 449 2HE LYS 54 HE1 LYS 54 147.204 5.257 16.554 450 1HZ LYS 54 HZ1 LYS 54 149.710 6.161 17.717 451 2HZ LYS 54 HZ2 LYS 54 148.197 6.917 17.680 452 3HZ LYS 54 HZ3 LYS 54 149.206 6.981 16.324 453 H GLY 55 HN GLY 55 153.827 2.021 14.743 454 1HA GLY 55 HA2 GLY 55 152.983 3.674 12.517 455 2HA GLY 55 HA1 GLY 55 154.227 2.427 12.475 456 H TYR 56 HN TYR 56 152.408 2.657 10.408 457 HA TYR 56 HA TYR 56 151.107 0.070 10.646 458 1HB TYR 56 HB2 TYR 56 148.994 1.080 9.578 459 2HB TYR 56 HB1 TYR 56 149.245 1.325 11.302 460 HD1 TYR 56 HD1 TYR 56 148.281 2.895 8.358 461 HD2 TYR 56 HD2 TYR 56 150.639 3.577 11.834 462 HE1 TYR 56 HE1 TYR 56 148.032 5.320 8.046 463 HE2 TYR 56 HE2 TYR 56 150.396 6.004 11.528 464 HH TYR 56 HH TYR 56 149.318 7.403 8.701 465 H GLU 57 HN GLU 57 151.487 -1.086 8.896 466 HA GLU 57 HA GLU 57 152.392 0.281 6.475 467 1HB GLU 57 HB2 GLU 57 152.437 -2.697 6.850 468 2HB GLU 57 HB1 GLU 57 153.480 -1.694 5.853 469 1HG GLU 57 HG2 GLU 57 154.103 -0.725 8.276 470 2HG GLU 57 HG1 GLU 57 153.672 -2.377 8.713 471 H TYR 58 HN TYR 58 151.192 0.393 4.694 472 HA TYR 58 HA TYR 58 148.689 -1.157 4.628 473 1HB TYR 58 HB2 TYR 58 149.175 1.607 4.340 474 2HB TYR 58 HB1 TYR 58 148.728 1.021 2.742 475 HD1 TYR 58 HD1 TYR 58 146.739 -1.012 3.265 476 HD2 TYR 58 HD2 TYR 58 147.352 2.712 5.232 477 HE1 TYR 58 HE1 TYR 58 144.365 -0.962 3.905 478 HE2 TYR 58 HE2 TYR 58 144.980 2.766 5.881 479 HH TYR 58 HH TYR 58 142.665 0.590 4.567 480 H GLN 59 HN GLN 59 148.955 -2.915 3.383 481 HA GLN 59 HA GLN 59 150.409 -2.605 0.840 482 1HB GLN 59 HB2 GLN 59 150.920 -4.419 2.779 483 2HB GLN 59 HB1 GLN 59 149.757 -5.322 1.820 484 1HG GLN 59 HG2 GLN 59 151.127 -5.344 -0.054 485 2HG GLN 59 HG1 GLN 59 152.097 -3.990 0.523 486 1HE2 GLN 59 HE21 GLN 59 153.009 -4.582 2.862 487 2HE2 GLN 59 HE22 GLN 59 153.873 -6.077 2.899 488 H LEU 60 HN LEU 60 149.295 -2.789 -1.016 489 HA LEU 60 HA LEU 60 146.811 -4.248 -1.059 490 1HB LEU 60 HB2 LEU 60 146.739 -1.539 -0.700 491 2HB LEU 60 HB1 LEU 60 146.588 -1.678 -2.441 492 HG LEU 60 HG LEU 60 144.771 -3.538 -1.535 493 1HD1 LEU 60 HD11 LEU 60 143.973 -1.215 0.069 494 2HD1 LEU 60 HD12 LEU 60 145.322 -2.138 0.726 495 3HD1 LEU 60 HD13 LEU 60 143.787 -2.936 0.393 496 1HD2 LEU 60 HD21 LEU 60 143.175 -1.438 -1.940 497 2HD2 LEU 60 HD22 LEU 60 143.976 -2.302 -3.251 498 3HD2 LEU 60 HD23 LEU 60 144.664 -0.800 -2.637 499 H TYR 61 HN TYR 61 145.925 -4.476 -3.295 500 HA TYR 61 HA TYR 61 148.129 -4.526 -5.249 501 1HB TYR 61 HB2 TYR 61 145.915 -6.484 -4.718 502 2HB TYR 61 HB1 TYR 61 146.732 -6.442 -6.277 503 HD1 TYR 61 HD1 TYR 61 148.985 -7.258 -6.514 504 HD2 TYR 61 HD2 TYR 61 147.126 -7.150 -2.690 505 HE1 TYR 61 HE1 TYR 61 150.771 -8.687 -5.613 506 HE2 TYR 61 HE2 TYR 61 148.908 -8.576 -1.776 507 HH TYR 61 HH TYR 61 150.572 -10.138 -2.502 508 H VAL 62 HN VAL 62 147.690 -2.585 -6.227 509 HA VAL 62 HA VAL 62 145.084 -1.764 -6.992 510 HB VAL 62 HB VAL 62 146.829 -0.121 -6.612 511 1HG1 VAL 62 HG11 VAL 62 148.258 -0.596 -9.126 512 2HG1 VAL 62 HG12 VAL 62 148.498 -1.835 -7.896 513 3HG1 VAL 62 HG13 VAL 62 148.871 -0.150 -7.534 514 1HG2 VAL 62 HG21 VAL 62 145.651 1.173 -7.977 515 2HG2 VAL 62 HG22 VAL 62 145.176 -0.222 -8.946 516 3HG2 VAL 62 HG23 VAL 62 146.664 0.645 -9.318 517 H TYR 63 HN TYR 63 144.169 -3.464 -8.193 518 HA TYR 63 HA TYR 63 145.452 -4.441 -10.575 519 1HB TYR 63 HB2 TYR 63 143.833 -5.772 -9.168 520 2HB TYR 63 HB1 TYR 63 142.548 -4.752 -9.803 521 HD1 TYR 63 HD1 TYR 63 141.451 -5.381 -11.751 522 HD2 TYR 63 HD2 TYR 63 145.305 -6.991 -10.942 523 HE1 TYR 63 HE1 TYR 63 141.238 -6.856 -13.706 524 HE2 TYR 63 HE2 TYR 63 145.102 -8.470 -12.895 525 HH TYR 63 HH TYR 63 143.811 -8.475 -15.076 526 H ALA 64 HN ALA 64 145.846 -2.473 -11.702 527 HA ALA 64 HA ALA 64 143.562 -0.917 -12.584 528 1HB ALA 64 HB1 ALA 64 145.230 0.572 -12.249 529 2HB ALA 64 HB2 ALA 64 145.581 0.186 -13.935 530 3HB ALA 64 HB3 ALA 64 146.496 -0.592 -12.643 531 H SER 65 HN SER 65 143.913 -0.176 -15.047 532 HA SER 65 HA SER 65 143.090 -2.370 -16.604 533 1HB SER 65 HB2 SER 65 144.201 -0.035 -18.044 534 2HB SER 65 HB1 SER 65 142.634 -0.826 -18.214 535 HG SER 65 HG SER 65 142.303 1.190 -17.321 536 H ASP 66 HN ASP 66 146.193 -0.696 -16.347 537 HA ASP 66 HA ASP 66 147.555 -1.874 -18.418 538 1HB ASP 66 HB2 ASP 66 149.615 -1.566 -16.923 539 2HB ASP 66 HB1 ASP 66 148.674 -0.130 -17.316 540 H LYS 67 HN LYS 67 147.358 -2.990 -15.112 541 HA LYS 67 HA LYS 67 147.083 -5.695 -15.653 542 1HB LYS 67 HB2 LYS 67 149.272 -6.627 -15.296 543 2HB LYS 67 HB1 LYS 67 149.371 -5.472 -16.615 544 1HG LYS 67 HG2 LYS 67 151.050 -4.487 -15.568 545 2HG LYS 67 HG1 LYS 67 149.933 -4.021 -14.286 546 1HD LYS 67 HD2 LYS 67 150.726 -5.576 -12.865 547 2HD LYS 67 HD1 LYS 67 150.866 -6.798 -14.130 548 1HE LYS 67 HE2 LYS 67 152.804 -4.589 -13.472 549 2HE LYS 67 HE1 LYS 67 153.064 -6.328 -13.340 550 1HZ LYS 67 HZ1 LYS 67 152.541 -6.230 -15.887 551 2HZ LYS 67 HZ2 LYS 67 154.095 -5.895 -15.310 552 3HZ LYS 67 HZ3 LYS 67 153.057 -4.626 -15.725 553 H LEU 68 HN LEU 68 148.345 -6.951 -13.610 554 HA LEU 68 HA LEU 68 146.938 -5.903 -11.322 555 1HB LEU 68 HB2 LEU 68 146.823 -8.253 -11.625 556 2HB LEU 68 HB1 LEU 68 148.559 -8.391 -11.817 557 HG LEU 68 HG LEU 68 148.806 -7.734 -9.409 558 1HD1 LEU 68 HD11 LEU 68 146.852 -7.898 -7.965 559 2HD1 LEU 68 HD12 LEU 68 145.820 -8.143 -9.373 560 3HD1 LEU 68 HD13 LEU 68 146.655 -6.605 -9.148 561 1HD2 LEU 68 HD21 LEU 68 147.083 -10.140 -9.415 562 2HD2 LEU 68 HD22 LEU 68 148.700 -9.902 -8.750 563 3HD2 LEU 68 HD23 LEU 68 148.486 -10.150 -10.484 564 H PHE 69 HN PHE 69 148.014 -4.021 -10.734 565 HA PHE 69 HA PHE 69 150.857 -4.135 -10.135 566 1HB PHE 69 HB2 PHE 69 148.824 -1.993 -10.429 567 2HB PHE 69 HB1 PHE 69 150.134 -1.677 -9.297 568 HD1 PHE 69 HD1 PHE 69 150.438 -3.660 -12.399 569 HD2 PHE 69 HD2 PHE 69 151.221 0.051 -10.468 570 HE1 PHE 69 HE1 PHE 69 151.897 -3.000 -14.267 571 HE2 PHE 69 HE2 PHE 69 152.681 0.716 -12.332 572 HZ PHE 69 HZ PHE 69 153.019 -0.809 -14.235 573 H ARG 70 HN ARG 70 151.679 -3.472 -8.030 574 HA ARG 70 HA ARG 70 149.841 -3.943 -5.841 575 1HB ARG 70 HB2 ARG 70 151.114 -5.998 -6.213 576 2HB ARG 70 HB1 ARG 70 152.616 -5.094 -6.081 577 1HG ARG 70 HG2 ARG 70 151.645 -4.442 -3.731 578 2HG ARG 70 HG1 ARG 70 150.702 -5.915 -3.958 579 1HD ARG 70 HD2 ARG 70 152.457 -7.086 -3.264 580 2HD ARG 70 HD1 ARG 70 153.332 -6.556 -4.699 581 HE ARG 70 HE ARG 70 153.488 -4.542 -2.757 582 1HH1 ARG 70 HH11 ARG 70 154.641 -7.787 -3.325 583 2HH1 ARG 70 HH12 ARG 70 156.080 -7.573 -2.384 584 1HH2 ARG 70 HH21 ARG 70 155.379 -4.260 -1.521 585 2HH2 ARG 70 HH22 ARG 70 156.499 -5.572 -1.360 586 H ALA 71 HN ALA 71 149.922 -2.460 -4.259 587 HA ALA 71 HA ALA 71 152.223 -0.630 -4.267 588 1HB ALA 71 HB1 ALA 71 149.788 0.164 -4.829 589 2HB ALA 71 HB2 ALA 71 150.857 1.162 -3.842 590 3HB ALA 71 HB3 ALA 71 149.618 0.171 -3.074 591 H ASP 72 HN ASP 72 153.093 0.089 -2.270 592 HA ASP 72 HA ASP 72 152.108 -1.355 0.098 593 1HB ASP 72 HB2 ASP 72 154.248 -2.329 -1.162 594 2HB ASP 72 HB1 ASP 72 155.060 -1.079 -0.222 595 H ILE 73 HN ILE 73 152.191 -0.221 1.975 596 HA ILE 73 HA ILE 73 153.575 2.369 1.941 597 HB ILE 73 HB ILE 73 150.936 2.163 3.325 598 1HG1 ILE 73 HG12 ILE 73 151.355 2.582 0.365 599 2HG1 ILE 73 HG11 ILE 73 150.290 1.427 1.152 600 1HG2 ILE 73 HG21 ILE 73 152.212 4.490 1.910 601 2HG2 ILE 73 HG22 ILE 73 152.553 4.080 3.591 602 3HG2 ILE 73 HG23 ILE 73 150.914 4.520 3.105 603 1HD1 ILE 73 HD11 ILE 73 148.816 3.177 1.856 604 2HD1 ILE 73 HD12 ILE 73 149.109 3.333 0.124 605 3HD1 ILE 73 HD13 ILE 73 149.926 4.407 1.257 606 H SER 74 HN SER 74 154.256 3.147 3.931 607 HA SER 74 HA SER 74 153.918 1.439 6.276 608 1HB SER 74 HB2 SER 74 156.491 1.916 6.654 609 2HB SER 74 HB1 SER 74 155.974 0.553 5.662 610 HG SER 74 HG SER 74 156.608 3.118 4.628 611 H GLU 75 HN GLU 75 153.636 2.639 8.115 612 HA GLU 75 HA GLU 75 154.290 5.500 7.897 613 1HB GLU 75 HB2 GLU 75 151.846 4.126 8.961 614 2HB GLU 75 HB1 GLU 75 152.308 5.700 9.590 615 1HG GLU 75 HG2 GLU 75 150.628 5.750 7.753 616 2HG GLU 75 HG1 GLU 75 152.070 6.718 7.466 617 H ASP 76 HN ASP 76 156.347 4.525 8.873 618 HA ASP 76 HA ASP 76 156.300 3.641 11.551 619 1HB ASP 76 HB2 ASP 76 158.487 4.605 9.729 620 2HB ASP 76 HB1 ASP 76 158.808 4.218 11.418 621 H TYR 77 HN TYR 77 156.607 4.758 13.450 622 HA TYR 77 HA TYR 77 156.601 7.693 13.208 623 1HB TYR 77 HB2 TYR 77 154.544 6.514 14.176 624 2HB TYR 77 HB1 TYR 77 155.548 6.178 15.582 625 HD1 TYR 77 HD1 TYR 77 156.487 8.097 16.900 626 HD2 TYR 77 HD2 TYR 77 153.579 8.647 13.844 627 HE1 TYR 77 HE1 TYR 77 155.961 10.320 17.809 628 HE2 TYR 77 HE2 TYR 77 153.045 10.872 14.744 629 HH TYR 77 HH TYR 77 153.264 11.989 17.144 630 H LYS 78 HN LYS 78 158.419 5.059 14.254 631 HA LYS 78 HA LYS 78 159.720 6.274 16.498 632 1HB LYS 78 HB2 LYS 78 161.393 4.439 16.181 633 2HB LYS 78 HB1 LYS 78 159.738 3.868 16.342 634 1HG LYS 78 HG2 LYS 78 159.579 3.472 13.987 635 2HG LYS 78 HG1 LYS 78 161.145 4.235 13.707 636 1HD LYS 78 HD2 LYS 78 162.215 2.472 15.061 637 2HD LYS 78 HD1 LYS 78 160.643 1.696 15.259 638 1HE LYS 78 HE2 LYS 78 161.875 0.600 13.492 639 2HE LYS 78 HE1 LYS 78 160.485 1.446 12.813 640 1HZ LYS 78 HZ1 LYS 78 163.193 2.640 12.881 641 2HZ LYS 78 HZ2 LYS 78 161.858 3.141 11.973 642 3HZ LYS 78 HZ3 LYS 78 162.651 1.699 11.587 643 H THR 79 HN THR 79 160.298 5.949 13.071 644 HA THR 79 HA THR 79 162.372 8.026 13.244 645 HB THR 79 HB THR 79 162.358 5.820 11.182 646 HG1 THR 79 HG1 THR 79 162.904 4.622 12.835 647 1HG2 THR 79 HG21 THR 79 163.899 8.172 11.475 648 2HG2 THR 79 HG22 THR 79 164.063 6.887 10.278 649 3HG2 THR 79 HG23 THR 79 164.945 6.790 11.803 650 H ARG 80 HN ARG 80 159.382 7.866 12.688 651 HA ARG 80 HA ARG 80 157.823 8.687 11.256 652 1HB ARG 80 HB2 ARG 80 158.313 10.898 10.345 653 2HB ARG 80 HB1 ARG 80 158.876 10.756 12.003 654 1HG ARG 80 HG2 ARG 80 161.110 10.744 11.379 655 2HG ARG 80 HG1 ARG 80 160.747 10.281 9.718 656 1HD ARG 80 HD2 ARG 80 159.525 12.548 9.590 657 2HD ARG 80 HD1 ARG 80 160.446 12.952 11.038 658 HE ARG 80 HE ARG 80 162.362 12.083 9.367 659 1HH1 ARG 80 HH11 ARG 80 159.778 14.395 8.955 660 2HH1 ARG 80 HH12 ARG 80 160.649 15.348 7.802 661 1HH2 ARG 80 HH21 ARG 80 163.506 13.335 7.850 662 2HH2 ARG 80 HH22 ARG 80 162.764 14.747 7.173 663 H GLY 81 HN GLY 81 158.505 6.543 10.094 664 1HA GLY 81 HA2 GLY 81 159.592 7.057 7.432 665 2HA GLY 81 HA1 GLY 81 159.242 5.481 8.125 666 H ARG 82 HN ARG 82 157.127 8.314 7.864 667 HA ARG 82 HA ARG 82 155.012 6.701 6.772 668 1HB ARG 82 HB2 ARG 82 155.319 9.558 7.593 669 2HB ARG 82 HB1 ARG 82 153.990 9.131 6.524 670 1HG ARG 82 HG2 ARG 82 152.872 8.770 8.425 671 2HG ARG 82 HG1 ARG 82 153.739 7.234 8.446 672 1HD ARG 82 HD2 ARG 82 154.444 7.870 10.472 673 2HD ARG 82 HD1 ARG 82 155.549 8.927 9.595 674 HE ARG 82 HE ARG 82 154.411 10.684 10.476 675 1HH1 ARG 82 HH11 ARG 82 152.230 7.962 10.338 676 2HH1 ARG 82 HH12 ARG 82 150.920 8.815 11.083 677 1HH2 ARG 82 HH21 ARG 82 152.689 11.806 11.456 678 2HH2 ARG 82 HH22 ARG 82 151.180 10.996 11.717 679 H LYS 83 HN LYS 83 154.775 6.234 4.663 680 HA LYS 83 HA LYS 83 154.948 8.141 2.633 681 1HB LYS 83 HB2 LYS 83 156.990 7.324 1.451 682 2HB LYS 83 HB1 LYS 83 157.306 8.187 2.949 683 1HG LYS 83 HG2 LYS 83 158.092 6.343 4.015 684 2HG LYS 83 HG1 LYS 83 157.060 5.240 3.103 685 1HD LYS 83 HD2 LYS 83 159.024 4.717 2.100 686 2HD LYS 83 HD1 LYS 83 158.623 6.124 1.113 687 1HE LYS 83 HE2 LYS 83 160.940 6.208 1.884 688 2HE LYS 83 HE1 LYS 83 159.994 7.539 2.548 689 1HZ LYS 83 HZ1 LYS 83 160.382 5.035 4.066 690 2HZ LYS 83 HZ2 LYS 83 159.965 6.568 4.644 691 3HZ LYS 83 HZ3 LYS 83 161.541 6.268 4.108 692 H LEU 84 HN LEU 84 154.351 7.464 0.635 693 HA LEU 84 HA LEU 84 153.486 4.653 0.402 694 1HB LEU 84 HB2 LEU 84 151.822 6.691 0.336 695 2HB LEU 84 HB1 LEU 84 152.416 6.873 -1.301 696 HG LEU 84 HG LEU 84 151.326 4.250 -0.358 697 1HD1 LEU 84 HD11 LEU 84 149.650 6.001 0.124 698 2HD1 LEU 84 HD12 LEU 84 149.133 4.871 -1.130 699 3HD1 LEU 84 HD13 LEU 84 149.708 6.479 -1.573 700 1HD2 LEU 84 HD21 LEU 84 152.025 3.721 -2.406 701 2HD2 LEU 84 HD22 LEU 84 152.252 5.411 -2.857 702 3HD2 LEU 84 HD23 LEU 84 150.657 4.667 -2.991 703 H LEU 85 HN LEU 85 154.316 3.469 -1.318 704 HA LEU 85 HA LEU 85 155.618 4.924 -3.479 705 1HB LEU 85 HB2 LEU 85 157.614 3.215 -3.025 706 2HB LEU 85 HB1 LEU 85 157.556 4.828 -2.341 707 HG LEU 85 HG LEU 85 156.484 2.447 -0.842 708 1HD1 LEU 85 HD11 LEU 85 159.280 3.556 -0.649 709 2HD1 LEU 85 HD12 LEU 85 158.860 2.072 -1.502 710 3HD1 LEU 85 HD13 LEU 85 158.605 2.192 0.239 711 1HD2 LEU 85 HD21 LEU 85 157.447 4.172 0.986 712 2HD2 LEU 85 HD22 LEU 85 155.790 4.211 0.389 713 3HD2 LEU 85 HD23 LEU 85 156.997 5.303 -0.290 714 H ARG 86 HN ARG 86 156.127 1.560 -2.465 715 HA ARG 86 HA ARG 86 156.262 0.208 -4.678 716 1HB ARG 86 HB2 ARG 86 155.305 -0.443 -2.106 717 2HB ARG 86 HB1 ARG 86 154.195 -1.178 -3.253 718 1HG ARG 86 HG2 ARG 86 155.883 -2.770 -2.757 719 2HG ARG 86 HG1 ARG 86 156.160 -2.192 -4.401 720 1HD ARG 86 HD2 ARG 86 158.148 -1.306 -3.877 721 2HD ARG 86 HD1 ARG 86 157.554 -0.636 -2.358 722 HE ARG 86 HE ARG 86 157.724 -3.242 -1.774 723 1HH1 ARG 86 HH11 ARG 86 159.997 -1.072 -3.302 724 2HH1 ARG 86 HH12 ARG 86 161.387 -1.927 -2.727 725 1HH2 ARG 86 HH21 ARG 86 159.555 -4.363 -1.019 726 2HH2 ARG 86 HH22 ARG 86 161.138 -3.795 -1.432 727 H PHE 87 HN PHE 87 155.186 -0.394 -6.457 728 HA PHE 87 HA PHE 87 152.352 -0.200 -6.734 729 1HB PHE 87 HB2 PHE 87 153.608 2.204 -7.052 730 2HB PHE 87 HB1 PHE 87 153.608 1.597 -8.704 731 HD1 PHE 87 HD1 PHE 87 151.148 1.428 -5.906 732 HD2 PHE 87 HD2 PHE 87 151.940 2.593 -9.921 733 HE1 PHE 87 HE1 PHE 87 148.808 2.140 -6.157 734 HE2 PHE 87 HE2 PHE 87 149.599 3.311 -10.177 735 HZ PHE 87 HZ PHE 87 148.030 3.084 -8.295 736 H ASN 88 HN ASN 88 153.974 -2.334 -7.086 737 HA ASN 88 HA ASN 88 153.584 -2.912 -9.902 738 1HB ASN 88 HB2 ASN 88 155.891 -3.823 -10.156 739 2HB ASN 88 HB1 ASN 88 155.853 -2.076 -9.945 740 1HD2 ASN 88 HD21 ASN 88 158.170 -3.345 -9.515 741 2HD2 ASN 88 HD22 ASN 88 158.542 -3.395 -7.828 742 H GLY 89 HN GLY 89 152.719 -4.872 -10.095 743 1HA GLY 89 HA2 GLY 89 152.824 -6.667 -7.783 744 2HA GLY 89 HA1 GLY 89 151.677 -6.759 -9.109 745 HA PRO 90 HA PRO 90 155.902 -9.275 -9.691 746 1HB PRO 90 HB2 PRO 90 154.569 -11.376 -8.062 747 2HB PRO 90 HB1 PRO 90 156.276 -10.929 -8.143 748 1HG PRO 90 HG2 PRO 90 154.790 -10.240 -6.044 749 2HG PRO 90 HG1 PRO 90 156.012 -9.135 -6.699 750 1HD PRO 90 HD2 PRO 90 153.040 -9.073 -7.001 751 2HD PRO 90 HD1 PRO 90 154.184 -7.728 -6.815 752 H VAL 91 HN VAL 91 152.486 -10.055 -9.546 753 HA VAL 91 HA VAL 91 151.088 -11.069 -11.032 754 HB VAL 91 HB VAL 91 153.403 -11.081 -12.971 755 1HG1 VAL 91 HG11 VAL 91 151.940 -11.668 -14.579 756 2HG1 VAL 91 HG12 VAL 91 150.634 -10.703 -13.890 757 3HG1 VAL 91 HG13 VAL 91 151.001 -12.295 -13.224 758 1HG2 VAL 91 HG21 VAL 91 151.955 -8.958 -13.737 759 2HG2 VAL 91 HG22 VAL 91 153.330 -8.843 -12.638 760 3HG2 VAL 91 HG23 VAL 91 151.688 -8.881 -11.995 Start of MODEL 8 1 1H GLY 1 HT1 GLY 1 147.466 -3.817 17.015 2 2H GLY 1 HT2 GLY 1 147.047 -5.361 16.471 3 3H GLY 1 HT3 GLY 1 147.456 -4.155 15.357 4 1HA GLY 1 HA1 GLY 1 149.719 -4.093 16.209 5 2HA GLY 1 HA2 GLY 1 149.293 -5.351 17.360 6 H GLU 2 HN GLU 2 151.316 -5.325 15.219 7 HA GLU 2 HA GLU 2 152.185 -6.749 13.674 8 1HB GLU 2 HB2 GLU 2 150.121 -8.487 14.990 9 2HB GLU 2 HB1 GLU 2 151.054 -9.086 13.626 10 1HG GLU 2 HG2 GLU 2 153.076 -8.943 14.802 11 2HG GLU 2 HG1 GLU 2 152.369 -7.927 16.058 12 H TRP 3 HN TRP 3 151.370 -8.360 11.793 13 HA TRP 3 HA TRP 3 149.636 -6.697 10.159 14 1HB TRP 3 HB2 TRP 3 150.316 -8.327 8.345 15 2HB TRP 3 HB1 TRP 3 151.629 -7.403 9.066 16 HD1 TRP 3 HD1 TRP 3 150.251 -10.954 8.810 17 HE1 TRP 3 HE1 TRP 3 152.037 -12.599 9.662 18 HE3 TRP 3 HE3 TRP 3 153.628 -7.595 10.666 19 HZ2 TRP 3 HZ2 TRP 3 154.547 -12.488 10.950 20 HZ3 TRP 3 HZ3 TRP 3 155.697 -8.447 11.693 21 HH2 TRP 3 HH2 TRP 3 156.144 -10.842 11.832 22 H GLU 4 HN GLU 4 147.585 -7.148 9.655 23 HA GLU 4 HA GLU 4 146.533 -9.786 9.514 24 1HB GLU 4 HB2 GLU 4 146.187 -8.240 12.027 25 2HB GLU 4 HB1 GLU 4 144.777 -9.095 11.416 26 1HG GLU 4 HG2 GLU 4 146.705 -11.007 11.231 27 2HG GLU 4 HG1 GLU 4 147.208 -10.122 12.671 28 H ILE 5 HN ILE 5 145.280 -9.543 7.789 29 HA ILE 5 HA ILE 5 144.249 -7.204 6.775 30 HB ILE 5 HB ILE 5 144.393 -9.296 5.493 31 1HG1 ILE 5 HG12 ILE 5 142.176 -9.101 4.334 32 2HG1 ILE 5 HG11 ILE 5 141.647 -8.034 5.630 33 1HG2 ILE 5 HG21 ILE 5 142.645 -11.005 5.735 34 2HG2 ILE 5 HG22 ILE 5 142.017 -10.147 7.141 35 3HG2 ILE 5 HG23 ILE 5 143.632 -10.853 7.187 36 1HD1 ILE 5 HD11 ILE 5 142.372 -6.394 4.310 37 2HD1 ILE 5 HD12 ILE 5 143.340 -7.491 3.324 38 3HD1 ILE 5 HD13 ILE 5 143.986 -6.868 4.842 39 H ILE 6 HN ILE 6 142.176 -6.252 6.759 40 HA ILE 6 HA ILE 6 140.509 -6.958 9.086 41 HB ILE 6 HB ILE 6 140.758 -4.225 7.828 42 1HG1 ILE 6 HG12 ILE 6 141.853 -3.851 10.215 43 2HG1 ILE 6 HG11 ILE 6 142.248 -5.556 10.044 44 1HG2 ILE 6 HG21 ILE 6 138.629 -4.934 9.073 45 2HG2 ILE 6 HG22 ILE 6 139.404 -3.422 9.549 46 3HG2 ILE 6 HG23 ILE 6 139.627 -4.873 10.526 47 1HD1 ILE 6 HD11 ILE 6 144.113 -4.639 9.139 48 2HD1 ILE 6 HD12 ILE 6 143.262 -3.210 8.552 49 3HD1 ILE 6 HD13 ILE 6 143.118 -4.740 7.686 50 H GLU 7 HN GLU 7 140.011 -4.915 6.207 51 HA GLU 7 HA GLU 7 137.558 -6.457 5.665 52 1HB GLU 7 HB2 GLU 7 138.001 -3.563 4.933 53 2HB GLU 7 HB1 GLU 7 136.493 -4.465 4.892 54 1HG GLU 7 HG2 GLU 7 137.994 -3.983 7.442 55 2HG GLU 7 HG1 GLU 7 136.824 -2.829 6.802 56 H ILE 8 HN ILE 8 136.820 -6.140 3.309 57 HA ILE 8 HA ILE 8 139.159 -6.228 1.520 58 HB ILE 8 HB ILE 8 138.347 -8.507 1.959 59 1HG1 ILE 8 HG12 ILE 8 137.538 -7.855 -0.858 60 2HG1 ILE 8 HG11 ILE 8 139.205 -7.613 -0.341 61 1HG2 ILE 8 HG21 ILE 8 135.869 -7.451 2.058 62 2HG2 ILE 8 HG22 ILE 8 136.200 -9.167 1.816 63 3HG2 ILE 8 HG23 ILE 8 135.860 -8.131 0.430 64 1HD1 ILE 8 HD11 ILE 8 138.534 -9.833 -1.465 65 2HD1 ILE 8 HD12 ILE 8 137.851 -10.236 0.111 66 3HD1 ILE 8 HD13 ILE 8 139.571 -9.873 -0.038 67 H GLY 9 HN GLY 9 136.409 -4.571 2.215 68 1HA GLY 9 HA2 GLY 9 135.595 -4.136 -0.560 69 2HA GLY 9 HA1 GLY 9 134.772 -3.527 0.867 70 HA PRO 10 HA PRO 10 136.509 0.443 -0.064 71 1HB PRO 10 HB2 PRO 10 136.533 1.486 2.483 72 2HB PRO 10 HB1 PRO 10 135.105 1.435 1.443 73 1HG PRO 10 HG2 PRO 10 135.907 -0.409 3.658 74 2HG PRO 10 HG1 PRO 10 134.302 0.233 3.256 75 1HD PRO 10 HD2 PRO 10 135.021 -2.272 2.603 76 2HD PRO 10 HD1 PRO 10 133.980 -1.296 1.545 77 H PHE 11 HN PHE 11 137.792 -1.551 2.519 78 HA PHE 11 HA PHE 11 140.114 -0.274 3.203 79 1HB PHE 11 HB2 PHE 11 139.404 -2.295 4.319 80 2HB PHE 11 HB1 PHE 11 139.597 -3.231 2.843 81 HD1 PHE 11 HD1 PHE 11 142.038 -3.218 1.843 82 HD2 PHE 11 HD2 PHE 11 141.068 -2.348 5.894 83 HE1 PHE 11 HE1 PHE 11 144.332 -3.784 2.509 84 HE2 PHE 11 HE2 PHE 11 143.367 -2.917 6.567 85 HZ PHE 11 HZ PHE 11 144.999 -3.636 4.867 86 H THR 12 HN THR 12 139.761 -2.680 0.601 87 HA THR 12 HA THR 12 142.369 -2.419 -0.407 88 HB THR 12 HB THR 12 140.765 -3.206 -2.546 89 HG1 THR 12 HG1 THR 12 139.332 -4.692 -1.536 90 1HG2 THR 12 HG21 THR 12 141.393 -5.419 -0.798 91 2HG2 THR 12 HG22 THR 12 142.762 -4.329 -1.015 92 3HG2 THR 12 HG23 THR 12 141.983 -5.056 -2.418 93 H GLN 13 HN GLN 13 139.307 -1.141 -1.712 94 HA GLN 13 HA GLN 13 140.364 0.351 -3.793 95 1HB GLN 13 HB2 GLN 13 137.939 -0.102 -3.393 96 2HB GLN 13 HB1 GLN 13 137.965 1.107 -2.116 97 1HG GLN 13 HG2 GLN 13 138.863 2.679 -3.973 98 2HG GLN 13 HG1 GLN 13 138.192 1.472 -5.068 99 1HE2 GLN 13 HE21 GLN 13 136.857 3.318 -5.727 100 2HE2 GLN 13 HE22 GLN 13 135.402 3.636 -4.851 101 H ASN 14 HN ASN 14 140.299 1.017 -0.384 102 HA ASN 14 HA ASN 14 140.657 3.752 -0.326 103 1HB ASN 14 HB2 ASN 14 140.808 1.625 1.513 104 2HB ASN 14 HB1 ASN 14 142.342 2.478 1.645 105 1HD2 ASN 14 HD21 ASN 14 138.922 3.350 1.215 106 2HD2 ASN 14 HD22 ASN 14 138.902 4.560 2.448 107 H LEU 15 HN LEU 15 143.314 1.385 -0.014 108 HA LEU 15 HA LEU 15 145.396 3.168 -0.367 109 1HB LEU 15 HB2 LEU 15 145.220 0.464 -0.054 110 2HB LEU 15 HB1 LEU 15 145.778 0.579 -1.712 111 HG LEU 15 HG LEU 15 147.274 2.286 0.141 112 1HD1 LEU 15 HD11 LEU 15 148.105 -0.511 0.411 113 2HD1 LEU 15 HD12 LEU 15 146.608 -0.102 1.249 114 3HD1 LEU 15 HD13 LEU 15 148.087 0.791 1.597 115 1HD2 LEU 15 HD21 LEU 15 147.742 0.518 -2.185 116 2HD2 LEU 15 HD22 LEU 15 149.089 0.751 -1.070 117 3HD2 LEU 15 HD23 LEU 15 148.341 2.143 -1.854 118 H GLY 16 HN GLY 16 143.180 1.842 -2.681 119 1HA GLY 16 HA2 GLY 16 144.579 2.328 -5.061 120 2HA GLY 16 HA1 GLY 16 142.830 2.278 -4.901 121 H LYS 17 HN LYS 17 142.408 4.445 -3.173 122 HA LYS 17 HA LYS 17 142.445 6.583 -5.011 123 1HB LYS 17 HB2 LYS 17 141.288 7.791 -3.430 124 2HB LYS 17 HB1 LYS 17 140.978 6.159 -2.867 125 1HG LYS 17 HG2 LYS 17 142.738 6.393 -1.193 126 2HG LYS 17 HG1 LYS 17 143.067 8.029 -1.767 127 1HD LYS 17 HD2 LYS 17 140.271 7.393 -1.015 128 2HD LYS 17 HD1 LYS 17 141.448 7.519 0.295 129 1HE LYS 17 HE2 LYS 17 141.687 9.671 -1.649 130 2HE LYS 17 HE1 LYS 17 140.096 9.611 -0.895 131 1HZ LYS 17 HZ1 LYS 17 141.677 9.302 1.228 132 2HZ LYS 17 HZ2 LYS 17 141.119 10.805 0.689 133 3HZ LYS 17 HZ3 LYS 17 142.667 10.276 0.264 134 H PHE 18 HN PHE 18 144.413 5.988 -2.111 135 HA PHE 18 HA PHE 18 146.093 8.252 -2.566 136 1HB PHE 18 HB2 PHE 18 146.283 5.875 -0.723 137 2HB PHE 18 HB1 PHE 18 147.551 7.092 -0.810 138 HD1 PHE 18 HD1 PHE 18 144.649 6.125 0.865 139 HD2 PHE 18 HD2 PHE 18 146.670 9.581 -0.579 140 HE1 PHE 18 HE1 PHE 18 143.415 7.516 2.475 141 HE2 PHE 18 HE2 PHE 18 145.440 10.978 1.029 142 HZ PHE 18 HZ PHE 18 143.809 9.946 2.560 143 H ALA 19 HN ALA 19 145.879 5.215 -3.968 144 HA ALA 19 HA ALA 19 148.574 4.572 -4.442 145 1HB ALA 19 HB1 ALA 19 146.129 3.432 -5.044 146 2HB ALA 19 HB2 ALA 19 147.711 2.805 -5.499 147 3HB ALA 19 HB3 ALA 19 146.806 3.820 -6.622 148 H VAL 20 HN VAL 20 146.206 6.113 -6.621 149 HA VAL 20 HA VAL 20 148.144 6.844 -8.559 150 HB VAL 20 HB VAL 20 145.453 8.145 -8.122 151 1HG1 VAL 20 HG11 VAL 20 145.577 8.645 -10.506 152 2HG1 VAL 20 HG12 VAL 20 147.160 7.872 -10.594 153 3HG1 VAL 20 HG13 VAL 20 146.948 9.343 -9.642 154 1HG2 VAL 20 HG21 VAL 20 144.387 6.388 -9.029 155 2HG2 VAL 20 HG22 VAL 20 145.811 5.478 -8.524 156 3HG2 VAL 20 HG23 VAL 20 145.685 6.069 -10.181 157 H ASP 21 HN ASP 21 146.809 8.436 -5.728 158 HA ASP 21 HA ASP 21 147.837 11.019 -6.280 159 1HB ASP 21 HB2 ASP 21 146.085 10.111 -4.478 160 2HB ASP 21 HB1 ASP 21 147.518 10.134 -3.456 161 H GLU 22 HN GLU 22 149.197 8.154 -4.791 162 HA GLU 22 HA GLU 22 151.645 9.650 -4.150 163 1HB GLU 22 HB2 GLU 22 150.471 7.100 -3.103 164 2HB GLU 22 HB1 GLU 22 152.194 7.408 -2.943 165 1HG GLU 22 HG2 GLU 22 150.706 8.034 -0.985 166 2HG GLU 22 HG1 GLU 22 151.859 9.243 -1.543 167 H GLU 23 HN GLU 23 150.411 7.715 -6.572 168 HA GLU 23 HA GLU 23 152.487 5.957 -7.174 169 1HB GLU 23 HB2 GLU 23 150.083 6.591 -8.321 170 2HB GLU 23 HB1 GLU 23 151.220 7.202 -9.514 171 1HG GLU 23 HG2 GLU 23 151.211 4.401 -8.419 172 2HG GLU 23 HG1 GLU 23 150.494 4.892 -9.953 173 H ASN 24 HN ASN 24 152.334 9.384 -7.440 174 HA ASN 24 HA ASN 24 154.516 9.565 -9.335 175 1HB ASN 24 HB2 ASN 24 152.665 11.475 -8.015 176 2HB ASN 24 HB1 ASN 24 154.240 12.097 -8.495 177 1HD2 ASN 24 HD21 ASN 24 151.470 10.277 -9.720 178 2HD2 ASN 24 HD22 ASN 24 151.562 10.882 -11.334 179 H LYS 25 HN LYS 25 154.650 8.528 -6.350 180 HA LYS 25 HA LYS 25 156.818 10.269 -5.436 181 1HB LYS 25 HB2 LYS 25 154.770 8.844 -4.096 182 2HB LYS 25 HB1 LYS 25 156.294 8.109 -3.620 183 1HG LYS 25 HG2 LYS 25 156.271 11.043 -3.590 184 2HG LYS 25 HG1 LYS 25 155.191 10.268 -2.428 185 1HD LYS 25 HD2 LYS 25 156.999 9.041 -1.459 186 2HD LYS 25 HD1 LYS 25 158.103 9.557 -2.737 187 1HE LYS 25 HE2 LYS 25 157.856 11.886 -1.975 188 2HE LYS 25 HE1 LYS 25 156.807 11.333 -0.671 189 1HZ LYS 25 HZ1 LYS 25 159.406 10.044 -0.859 190 2HZ LYS 25 HZ2 LYS 25 158.540 10.541 0.506 191 3HZ LYS 25 HZ3 LYS 25 159.422 11.670 -0.393 192 H ILE 26 HN ILE 26 156.443 6.764 -4.969 193 HA ILE 26 HA ILE 26 159.111 6.125 -5.019 194 HB ILE 26 HB ILE 26 157.307 4.567 -4.370 195 1HG1 ILE 26 HG12 ILE 26 159.213 3.519 -6.469 196 2HG1 ILE 26 HG11 ILE 26 159.566 3.722 -4.755 197 1HG2 ILE 26 HG21 ILE 26 156.250 3.202 -6.180 198 2HG2 ILE 26 HG22 ILE 26 156.855 4.386 -7.337 199 3HG2 ILE 26 HG23 ILE 26 155.703 4.878 -6.097 200 1HD1 ILE 26 HD11 ILE 26 157.337 1.953 -5.676 201 2HD1 ILE 26 HD12 ILE 26 158.210 1.939 -4.143 202 3HD1 ILE 26 HD13 ILE 26 159.004 1.382 -5.617 203 H GLY 27 HN GLY 27 156.925 6.483 -7.765 204 1HA GLY 27 HA2 GLY 27 159.119 5.819 -9.599 205 2HA GLY 27 HA1 GLY 27 157.419 5.924 -10.031 206 H GLN 28 HN GLN 28 158.916 7.149 -11.748 207 HA GLN 28 HA GLN 28 159.250 9.947 -10.964 208 1HB GLN 28 HB2 GLN 28 160.108 8.360 -13.377 209 2HB GLN 28 HB1 GLN 28 160.206 10.115 -13.336 210 1HG GLN 28 HG2 GLN 28 161.437 9.423 -11.002 211 2HG GLN 28 HG1 GLN 28 161.903 8.104 -12.074 212 1HE2 GLN 28 HE21 GLN 28 163.973 9.380 -11.369 213 2HE2 GLN 28 HE22 GLN 28 164.523 10.540 -12.524 214 H TYR 29 HN TYR 29 157.429 7.920 -13.205 215 HA TYR 29 HA TYR 29 155.688 10.230 -13.767 216 1HB TYR 29 HB2 TYR 29 157.122 9.244 -15.694 217 2HB TYR 29 HB1 TYR 29 155.973 7.912 -15.657 218 HD1 TYR 29 HD1 TYR 29 153.474 8.523 -15.893 219 HD2 TYR 29 HD2 TYR 29 156.646 11.163 -16.926 220 HE1 TYR 29 HE1 TYR 29 151.934 9.810 -17.313 221 HE2 TYR 29 HE2 TYR 29 155.115 12.458 -18.348 222 HH TYR 29 HH TYR 29 151.986 11.334 -19.180 223 H GLY 30 HN GLY 30 153.645 10.020 -13.125 224 1HA GLY 30 HA2 GLY 30 152.756 7.450 -12.089 225 2HA GLY 30 HA1 GLY 30 151.938 8.992 -11.891 226 H ARG 31 HN ARG 31 150.663 6.566 -12.582 227 HA ARG 31 HA ARG 31 149.570 7.337 -15.190 228 1HB ARG 31 HB2 ARG 31 151.117 5.009 -14.718 229 2HB ARG 31 HB1 ARG 31 149.452 4.486 -14.938 230 1HG ARG 31 HG2 ARG 31 150.150 6.451 -16.916 231 2HG ARG 31 HG1 ARG 31 151.316 5.126 -16.917 232 1HD ARG 31 HD2 ARG 31 149.633 3.516 -17.310 233 2HD ARG 31 HD1 ARG 31 148.347 4.662 -16.938 234 HE ARG 31 HE ARG 31 149.593 5.778 -19.071 235 1HH1 ARG 31 HH11 ARG 31 148.227 2.624 -18.460 236 2HH1 ARG 31 HH12 ARG 31 147.796 2.352 -20.114 237 1HH2 ARG 31 HH21 ARG 31 149.029 5.421 -21.249 238 2HH2 ARG 31 HH22 ARG 31 148.252 3.939 -21.699 239 H LEU 32 HN LEU 32 147.511 5.850 -15.577 240 HA LEU 32 HA LEU 32 145.810 6.331 -13.273 241 1HB LEU 32 HB2 LEU 32 145.399 6.703 -15.914 242 2HB LEU 32 HB1 LEU 32 144.685 5.112 -15.721 243 HG LEU 32 HG LEU 32 143.460 6.307 -13.687 244 1HD1 LEU 32 HD11 LEU 32 144.504 8.502 -15.375 245 2HD1 LEU 32 HD12 LEU 32 144.145 8.466 -13.649 246 3HD1 LEU 32 HD13 LEU 32 142.836 8.636 -14.819 247 1HD2 LEU 32 HD21 LEU 32 141.705 7.023 -15.493 248 2HD2 LEU 32 HD22 LEU 32 142.083 5.320 -15.237 249 3HD2 LEU 32 HD23 LEU 32 142.804 6.188 -16.592 250 H THR 33 HN THR 33 145.840 4.786 -11.768 251 HA THR 33 HA THR 33 145.561 1.988 -12.654 252 HB THR 33 HB THR 33 147.742 2.406 -11.592 253 HG1 THR 33 HG1 THR 33 147.509 0.482 -10.839 254 1HG2 THR 33 HG21 THR 33 146.777 2.681 -8.880 255 2HG2 THR 33 HG22 THR 33 146.391 4.086 -9.876 256 3HG2 THR 33 HG23 THR 33 148.063 3.546 -9.720 257 H PHE 34 HN PHE 34 143.359 3.696 -12.300 258 HA PHE 34 HA PHE 34 142.221 2.833 -9.733 259 1HB PHE 34 HB2 PHE 34 142.252 5.319 -10.784 260 2HB PHE 34 HB1 PHE 34 140.721 4.738 -11.430 261 HD1 PHE 34 HD1 PHE 34 142.541 4.545 -8.172 262 HD2 PHE 34 HD2 PHE 34 138.887 5.331 -10.207 263 HE1 PHE 34 HE1 PHE 34 141.453 5.034 -6.021 264 HE2 PHE 34 HE2 PHE 34 137.792 5.824 -8.058 265 HZ PHE 34 HZ PHE 34 139.076 5.675 -5.961 266 H ASN 35 HN ASN 35 142.435 1.359 -12.484 267 HA ASN 35 HA ASN 35 139.806 1.034 -13.439 268 1HB ASN 35 HB2 ASN 35 142.084 0.299 -14.472 269 2HB ASN 35 HB1 ASN 35 141.822 -1.185 -13.561 270 1HD2 ASN 35 HD21 ASN 35 140.562 0.888 -16.080 271 2HD2 ASN 35 HD22 ASN 35 139.574 -0.309 -16.837 272 H LYS 36 HN LYS 36 141.723 -1.181 -11.388 273 HA LYS 36 HA LYS 36 139.370 -1.777 -9.806 274 1HB LYS 36 HB2 LYS 36 140.485 -3.646 -11.815 275 2HB LYS 36 HB1 LYS 36 140.112 -4.337 -10.241 276 1HG LYS 36 HG2 LYS 36 137.816 -3.481 -10.431 277 2HG LYS 36 HG1 LYS 36 138.201 -2.856 -12.035 278 1HD LYS 36 HD2 LYS 36 137.127 -4.930 -12.390 279 2HD LYS 36 HD1 LYS 36 138.846 -5.229 -12.651 280 1HE LYS 36 HE2 LYS 36 138.148 -7.032 -11.341 281 2HE LYS 36 HE1 LYS 36 138.903 -5.932 -10.189 282 1HZ LYS 36 HZ1 LYS 36 136.944 -6.524 -9.150 283 2HZ LYS 36 HZ2 LYS 36 136.041 -6.517 -10.581 284 3HZ LYS 36 HZ3 LYS 36 136.523 -5.055 -9.878 285 H VAL 37 HN VAL 37 140.825 -0.699 -8.290 286 HA VAL 37 HA VAL 37 143.246 -2.077 -7.522 287 HB VAL 37 HB VAL 37 141.859 0.275 -6.231 288 1HG1 VAL 37 HG11 VAL 37 144.463 0.458 -5.504 289 2HG1 VAL 37 HG12 VAL 37 144.237 -1.290 -5.500 290 3HG1 VAL 37 HG13 VAL 37 143.201 -0.264 -4.508 291 1HG2 VAL 37 HG21 VAL 37 143.746 0.011 -8.479 292 2HG2 VAL 37 HG22 VAL 37 144.110 1.282 -7.312 293 3HG2 VAL 37 HG23 VAL 37 142.552 1.263 -8.139 294 H ILE 38 HN ILE 38 142.851 -4.033 -6.600 295 HA ILE 38 HA ILE 38 141.715 -4.022 -3.964 296 HB ILE 38 HB ILE 38 140.122 -5.931 -4.489 297 1HG1 ILE 38 HG12 ILE 38 140.256 -4.830 -7.299 298 2HG1 ILE 38 HG11 ILE 38 141.135 -6.274 -6.806 299 1HG2 ILE 38 HG21 ILE 38 139.628 -3.387 -4.162 300 2HG2 ILE 38 HG22 ILE 38 138.357 -4.480 -4.709 301 3HG2 ILE 38 HG23 ILE 38 139.202 -3.457 -5.872 302 1HD1 ILE 38 HD11 ILE 38 138.499 -6.093 -7.724 303 2HD1 ILE 38 HD12 ILE 38 138.396 -6.493 -6.010 304 3HD1 ILE 38 HD13 ILE 38 139.332 -7.516 -7.100 305 H LYS 39 HN LYS 39 141.334 -7.142 -5.035 306 HA LYS 39 HA LYS 39 142.538 -9.047 -4.925 307 1HB LYS 39 HB2 LYS 39 144.438 -7.089 -5.919 308 2HB LYS 39 HB1 LYS 39 145.226 -8.354 -4.986 309 1HG LYS 39 HG2 LYS 39 145.267 -9.365 -7.004 310 2HG LYS 39 HG1 LYS 39 143.658 -9.886 -6.498 311 1HD LYS 39 HD2 LYS 39 143.186 -7.425 -7.644 312 2HD LYS 39 HD1 LYS 39 144.454 -8.107 -8.665 313 1HE LYS 39 HE2 LYS 39 142.326 -8.737 -9.573 314 2HE LYS 39 HE1 LYS 39 143.086 -10.171 -8.882 315 1HZ LYS 39 HZ1 LYS 39 140.581 -9.503 -8.394 316 2HZ LYS 39 HZ2 LYS 39 141.320 -8.654 -7.132 317 3HZ LYS 39 HZ3 LYS 39 141.538 -10.326 -7.266 318 HA PRO 40 HA PRO 40 143.794 -10.062 -0.859 319 1HB PRO 40 HB2 PRO 40 146.466 -10.915 -1.876 320 2HB PRO 40 HB1 PRO 40 145.314 -11.792 -0.862 321 1HG PRO 40 HG2 PRO 40 145.568 -12.391 -3.440 322 2HG PRO 40 HG1 PRO 40 143.973 -12.379 -2.664 323 1HD PRO 40 HD2 PRO 40 145.200 -10.386 -4.514 324 2HD PRO 40 HD1 PRO 40 143.507 -10.900 -4.367 325 H CYS 41 HN CYS 41 143.897 -7.839 -0.221 326 HA CYS 41 HA CYS 41 146.460 -6.489 -0.256 327 1HB CYS 41 HB2 CYS 41 145.214 -4.711 1.000 328 2HB CYS 41 HB1 CYS 41 144.522 -5.116 -0.565 329 HG CYS 41 HG CYS 41 142.539 -5.020 1.018 330 H MET 42 HN MET 42 146.746 -5.246 2.087 331 HA MET 42 HA MET 42 146.457 -7.067 4.307 332 1HB MET 42 HB2 MET 42 148.711 -7.388 2.763 333 2HB MET 42 HB1 MET 42 149.274 -6.311 4.033 334 1HG MET 42 HG2 MET 42 149.165 -7.899 5.614 335 2HG MET 42 HG1 MET 42 147.689 -8.603 4.954 336 1HE MET 42 HE1 MET 42 149.614 -11.092 5.824 337 2HE MET 42 HE2 MET 42 150.444 -9.590 6.229 338 3HE MET 42 HE3 MET 42 151.252 -10.802 5.237 339 H LYS 43 HN LYS 43 147.568 -6.144 6.305 340 HA LYS 43 HA LYS 43 148.034 -3.291 6.312 341 1HB LYS 43 HB2 LYS 43 145.665 -3.166 6.412 342 2HB LYS 43 HB1 LYS 43 145.559 -4.505 7.540 343 1HG LYS 43 HG2 LYS 43 145.184 -2.781 8.965 344 2HG LYS 43 HG1 LYS 43 146.941 -2.844 9.074 345 1HD LYS 43 HD2 LYS 43 147.197 -1.003 7.616 346 2HD LYS 43 HD1 LYS 43 145.514 -1.092 7.092 347 1HE LYS 43 HE2 LYS 43 146.158 0.754 8.749 348 2HE LYS 43 HE1 LYS 43 144.718 -0.201 9.096 349 1HZ LYS 43 HZ1 LYS 43 146.638 0.253 10.871 350 2HZ LYS 43 HZ2 LYS 43 147.206 -1.200 10.214 351 3HZ LYS 43 HZ3 LYS 43 145.661 -1.129 10.900 352 H LYS 44 HN LYS 44 149.067 -2.587 8.189 353 HA LYS 44 HA LYS 44 149.547 -4.561 10.298 354 1HB LYS 44 HB2 LYS 44 151.408 -4.290 8.387 355 2HB LYS 44 HB1 LYS 44 151.894 -2.959 9.428 356 1HG LYS 44 HG2 LYS 44 152.124 -4.480 11.305 357 2HG LYS 44 HG1 LYS 44 151.576 -5.823 10.300 358 1HD LYS 44 HD2 LYS 44 153.592 -6.083 9.362 359 2HD LYS 44 HD1 LYS 44 153.801 -4.347 9.128 360 1HE LYS 44 HE2 LYS 44 154.035 -4.604 11.844 361 2HE LYS 44 HE1 LYS 44 154.780 -6.092 11.262 362 1HZ LYS 44 HZ1 LYS 44 156.576 -4.764 11.111 363 2HZ LYS 44 HZ2 LYS 44 155.671 -3.340 10.989 364 3HZ LYS 44 HZ3 LYS 44 155.893 -4.320 9.627 365 H THR 45 HN THR 45 150.627 -3.523 12.224 366 HA THR 45 HA THR 45 150.568 -0.711 12.477 367 HB THR 45 HB THR 45 148.420 -2.242 13.942 368 HG1 THR 45 HG1 THR 45 148.291 -0.465 11.746 369 1HG2 THR 45 HG21 THR 45 147.642 -0.187 14.799 370 2HG2 THR 45 HG22 THR 45 148.769 0.736 13.805 371 3HG2 THR 45 HG23 THR 45 149.371 -0.252 15.137 372 H ILE 46 HN ILE 46 151.904 -0.081 14.067 373 HA ILE 46 HA ILE 46 152.393 -1.901 16.313 374 HB ILE 46 HB ILE 46 154.909 -1.157 16.038 375 1HG1 ILE 46 HG12 ILE 46 154.147 0.099 13.869 376 2HG1 ILE 46 HG11 ILE 46 155.679 -0.767 13.888 377 1HG2 ILE 46 HG21 ILE 46 153.396 -3.463 14.973 378 2HG2 ILE 46 HG22 ILE 46 154.676 -3.401 16.185 379 3HG2 ILE 46 HG23 ILE 46 155.080 -3.304 14.470 380 1HD1 ILE 46 HD11 ILE 46 154.612 -2.659 12.770 381 2HD1 ILE 46 HD12 ILE 46 154.475 -1.170 11.831 382 3HD1 ILE 46 HD13 ILE 46 153.089 -1.773 12.739 383 H TYR 47 HN TYR 47 151.491 -0.555 17.775 384 HA TYR 47 HA TYR 47 152.590 2.163 17.990 385 1HB TYR 47 HB2 TYR 47 150.618 2.750 19.265 386 2HB TYR 47 HB1 TYR 47 150.123 1.979 17.762 387 HD1 TYR 47 HD1 TYR 47 149.481 -0.490 17.847 388 HD2 TYR 47 HD2 TYR 47 149.881 1.923 21.328 389 HE1 TYR 47 HE1 TYR 47 148.128 -2.105 19.116 390 HE2 TYR 47 HE2 TYR 47 148.531 0.315 22.606 391 HH TYR 47 HH TYR 47 146.625 -1.982 21.241 392 H GLU 48 HN GLU 48 153.339 2.956 19.957 393 HA GLU 48 HA GLU 48 154.586 1.002 21.625 394 1HB GLU 48 HB2 GLU 48 155.728 3.086 21.066 395 2HB GLU 48 HB1 GLU 48 154.475 3.998 21.892 396 1HG GLU 48 HG2 GLU 48 156.129 3.947 23.476 397 2HG GLU 48 HG1 GLU 48 155.155 2.556 23.946 398 H ASN 49 HN ASN 49 152.738 3.779 22.648 399 HA ASN 49 HA ASN 49 150.700 2.417 24.003 400 1HB ASN 49 HB2 ASN 49 153.141 2.257 25.363 401 2HB ASN 49 HB1 ASN 49 152.241 3.515 26.203 402 1HD2 ASN 49 HD21 ASN 49 151.969 0.213 24.984 403 2HD2 ASN 49 HD22 ASN 49 150.891 -0.340 26.217 404 H GLU 50 HN GLU 50 152.832 5.201 24.657 405 HA GLU 50 HA GLU 50 150.458 6.900 24.907 406 1HB GLU 50 HB2 GLU 50 153.287 7.108 25.856 407 2HB GLU 50 HB1 GLU 50 152.352 8.580 25.633 408 1HG GLU 50 HG2 GLU 50 150.660 7.747 27.177 409 2HG GLU 50 HG1 GLU 50 151.588 6.264 27.397 410 H ARG 51 HN ARG 51 151.259 5.969 22.334 411 HA ARG 51 HA ARG 51 151.449 6.760 20.210 412 1HB ARG 51 HB2 ARG 51 151.402 9.529 21.417 413 2HB ARG 51 HB1 ARG 51 151.028 9.088 19.756 414 1HG ARG 51 HG2 ARG 51 148.976 8.179 20.322 415 2HG ARG 51 HG1 ARG 51 149.428 7.956 22.012 416 1HD ARG 51 HD2 ARG 51 149.532 10.742 21.172 417 2HD ARG 51 HD1 ARG 51 147.929 10.032 20.982 418 HE ARG 51 HE ARG 51 148.630 9.277 23.476 419 1HH1 ARG 51 HH11 ARG 51 148.599 12.366 21.854 420 2HH1 ARG 51 HH12 ARG 51 148.297 13.265 23.303 421 1HH2 ARG 51 HH21 ARG 51 148.231 10.457 25.384 422 2HH2 ARG 51 HH22 ARG 51 148.085 12.182 25.306 423 H GLU 52 HN GLU 52 153.747 5.925 21.350 424 HA GLU 52 HA GLU 52 155.783 7.955 20.963 425 1HB GLU 52 HB2 GLU 52 155.578 5.550 22.475 426 2HB GLU 52 HB1 GLU 52 156.948 5.395 21.383 427 1HG GLU 52 HG2 GLU 52 157.948 7.388 22.261 428 2HG GLU 52 HG1 GLU 52 156.521 7.723 23.240 429 H ILE 53 HN ILE 53 154.324 5.407 19.236 430 HA ILE 53 HA ILE 53 156.052 5.943 16.969 431 HB ILE 53 HB ILE 53 157.234 4.081 17.656 432 1HG1 ILE 53 HG12 ILE 53 155.134 2.715 15.986 433 2HG1 ILE 53 HG11 ILE 53 156.245 3.894 15.306 434 1HG2 ILE 53 HG21 ILE 53 155.005 3.490 19.190 435 2HG2 ILE 53 HG22 ILE 53 156.534 2.615 19.156 436 3HG2 ILE 53 HG23 ILE 53 155.198 2.097 18.128 437 1HD1 ILE 53 HD11 ILE 53 156.871 1.473 15.039 438 2HD1 ILE 53 HD12 ILE 53 157.172 1.450 16.777 439 3HD1 ILE 53 HD13 ILE 53 158.109 2.520 15.733 440 H LYS 54 HN LYS 54 153.814 3.308 17.363 441 HA LYS 54 HA LYS 54 151.809 2.806 16.409 442 1HB LYS 54 HB2 LYS 54 151.353 5.224 17.307 443 2HB LYS 54 HB1 LYS 54 151.406 5.660 15.603 444 1HG LYS 54 HG2 LYS 54 149.480 4.523 15.109 445 2HG LYS 54 HG1 LYS 54 149.674 3.394 16.451 446 1HD LYS 54 HD2 LYS 54 149.125 6.314 16.896 447 2HD LYS 54 HD1 LYS 54 147.824 5.149 16.642 448 1HE LYS 54 HE2 LYS 54 148.614 3.850 18.556 449 2HE LYS 54 HE1 LYS 54 149.920 5.008 18.807 450 1HZ LYS 54 HZ1 LYS 54 147.941 6.683 18.914 451 2HZ LYS 54 HZ2 LYS 54 148.367 5.772 20.273 452 3HZ LYS 54 HZ3 LYS 54 147.049 5.306 19.322 453 H GLY 55 HN GLY 55 153.697 2.045 14.871 454 1HA GLY 55 HA2 GLY 55 153.640 3.354 12.286 455 2HA GLY 55 HA1 GLY 55 154.571 1.928 12.708 456 H TYR 56 HN TYR 56 151.905 3.081 11.044 457 HA TYR 56 HA TYR 56 150.707 0.396 10.963 458 1HB TYR 56 HB2 TYR 56 148.639 1.497 10.196 459 2HB TYR 56 HB1 TYR 56 149.157 2.108 11.763 460 HD1 TYR 56 HD1 TYR 56 150.306 4.346 11.875 461 HD2 TYR 56 HD2 TYR 56 148.397 2.943 8.342 462 HE1 TYR 56 HE1 TYR 56 150.242 6.643 11.006 463 HE2 TYR 56 HE2 TYR 56 148.329 5.237 7.461 464 HH TYR 56 HH TYR 56 150.115 7.762 8.768 465 H GLU 57 HN GLU 57 151.221 -0.725 9.212 466 HA GLU 57 HA GLU 57 152.032 0.684 6.787 467 1HB GLU 57 HB2 GLU 57 152.213 -2.210 7.615 468 2HB GLU 57 HB1 GLU 57 152.620 -1.654 5.998 469 1HG GLU 57 HG2 GLU 57 154.621 -0.953 6.640 470 2HG GLU 57 HG1 GLU 57 153.954 -0.089 8.025 471 H TYR 58 HN TYR 58 151.082 0.311 4.761 472 HA TYR 58 HA TYR 58 148.480 -1.057 4.799 473 1HB TYR 58 HB2 TYR 58 148.569 1.610 4.996 474 2HB TYR 58 HB1 TYR 58 148.689 1.475 3.249 475 HD1 TYR 58 HD1 TYR 58 146.621 2.218 2.470 476 HD2 TYR 58 HD2 TYR 58 146.750 -0.622 5.630 477 HE1 TYR 58 HE1 TYR 58 144.179 1.961 2.330 478 HE2 TYR 58 HE2 TYR 58 144.310 -0.886 5.501 479 HH TYR 58 HH TYR 58 142.370 0.242 4.711 480 H GLN 59 HN GLN 59 148.774 -2.683 3.411 481 HA GLN 59 HA GLN 59 150.209 -2.168 0.898 482 1HB GLN 59 HB2 GLN 59 149.424 -4.886 1.928 483 2HB GLN 59 HB1 GLN 59 150.675 -4.479 0.761 484 1HG GLN 59 HG2 GLN 59 152.084 -3.597 2.456 485 2HG GLN 59 HG1 GLN 59 150.794 -3.677 3.655 486 1HE2 GLN 59 HE21 GLN 59 151.669 -5.044 5.099 487 2HE2 GLN 59 HE22 GLN 59 152.131 -6.672 4.753 488 H LEU 60 HN LEU 60 149.287 -2.784 -1.097 489 HA LEU 60 HA LEU 60 146.612 -3.805 -1.170 490 1HB LEU 60 HB2 LEU 60 146.976 -1.040 -1.100 491 2HB LEU 60 HB1 LEU 60 146.662 -1.406 -2.782 492 HG LEU 60 HG LEU 60 144.581 -0.854 -1.780 493 1HD1 LEU 60 HD11 LEU 60 144.657 -3.853 -1.908 494 2HD1 LEU 60 HD12 LEU 60 144.624 -2.802 -3.321 495 3HD1 LEU 60 HD13 LEU 60 143.274 -2.799 -2.189 496 1HD2 LEU 60 HD21 LEU 60 143.921 -1.363 0.307 497 2HD2 LEU 60 HD22 LEU 60 145.636 -1.679 0.567 498 3HD2 LEU 60 HD23 LEU 60 144.538 -3.012 0.212 499 H TYR 61 HN TYR 61 145.958 -4.553 -3.208 500 HA TYR 61 HA TYR 61 148.140 -4.743 -5.174 501 1HB TYR 61 HB2 TYR 61 145.847 -6.561 -4.482 502 2HB TYR 61 HB1 TYR 61 146.672 -6.699 -6.031 503 HD1 TYR 61 HD1 TYR 61 148.392 -8.231 -6.166 504 HD2 TYR 61 HD2 TYR 61 147.509 -6.480 -2.392 505 HE1 TYR 61 HE1 TYR 61 150.103 -9.650 -5.115 506 HE2 TYR 61 HE2 TYR 61 149.220 -7.892 -1.329 507 HH TYR 61 HH TYR 61 151.257 -9.116 -1.974 508 H VAL 62 HN VAL 62 147.711 -2.797 -6.235 509 HA VAL 62 HA VAL 62 145.105 -2.066 -7.101 510 HB VAL 62 HB VAL 62 146.250 -0.331 -8.449 511 1HG1 VAL 62 HG11 VAL 62 146.110 0.840 -6.572 512 2HG1 VAL 62 HG12 VAL 62 147.692 0.236 -6.082 513 3HG1 VAL 62 HG13 VAL 62 146.233 -0.637 -5.617 514 1HG2 VAL 62 HG21 VAL 62 148.884 -0.728 -7.320 515 2HG2 VAL 62 HG22 VAL 62 148.407 -0.431 -8.991 516 3HG2 VAL 62 HG23 VAL 62 148.408 -2.073 -8.353 517 H TYR 63 HN TYR 63 144.292 -3.841 -8.269 518 HA TYR 63 HA TYR 63 145.648 -4.744 -10.651 519 1HB TYR 63 HB2 TYR 63 144.166 -6.219 -9.243 520 2HB TYR 63 HB1 TYR 63 142.790 -5.290 -9.821 521 HD1 TYR 63 HD1 TYR 63 145.203 -7.876 -10.613 522 HD2 TYR 63 HD2 TYR 63 142.145 -5.388 -12.213 523 HE1 TYR 63 HE1 TYR 63 145.046 -9.342 -12.582 524 HE2 TYR 63 HE2 TYR 63 141.981 -6.847 -14.186 525 HH TYR 63 HH TYR 63 144.292 -9.295 -14.860 526 H ALA 64 HN ALA 64 145.867 -2.679 -11.682 527 HA ALA 64 HA ALA 64 143.484 -1.276 -12.516 528 1HB ALA 64 HB1 ALA 64 145.134 0.188 -13.717 529 2HB ALA 64 HB2 ALA 64 146.410 -0.822 -13.037 530 3HB ALA 64 HB3 ALA 64 145.340 0.088 -11.970 531 H SER 65 HN SER 65 143.730 -0.467 -14.967 532 HA SER 65 HA SER 65 142.953 -2.637 -16.562 533 1HB SER 65 HB2 SER 65 143.563 -0.815 -18.442 534 2HB SER 65 HB1 SER 65 142.110 -0.705 -17.448 535 HG SER 65 HG SER 65 144.589 0.553 -16.874 536 H ASP 66 HN ASP 66 146.042 -0.931 -16.304 537 HA ASP 66 HA ASP 66 147.393 -2.064 -18.412 538 1HB ASP 66 HB2 ASP 66 148.051 -0.390 -16.327 539 2HB ASP 66 HB1 ASP 66 149.064 -1.802 -16.039 540 H LYS 67 HN LYS 67 147.305 -3.191 -15.106 541 HA LYS 67 HA LYS 67 147.072 -5.908 -15.673 542 1HB LYS 67 HB2 LYS 67 149.825 -4.854 -15.725 543 2HB LYS 67 HB1 LYS 67 149.600 -6.287 -14.735 544 1HG LYS 67 HG2 LYS 67 148.289 -6.564 -17.291 545 2HG LYS 67 HG1 LYS 67 150.002 -6.187 -17.479 546 1HD LYS 67 HD2 LYS 67 150.483 -8.315 -17.043 547 2HD LYS 67 HD1 LYS 67 149.817 -8.110 -15.423 548 1HE LYS 67 HE2 LYS 67 148.307 -8.946 -17.896 549 2HE LYS 67 HE1 LYS 67 148.749 -9.980 -16.537 550 1HZ LYS 67 HZ1 LYS 67 147.417 -8.090 -15.257 551 2HZ LYS 67 HZ2 LYS 67 146.663 -9.461 -15.899 552 3HZ LYS 67 HZ3 LYS 67 146.625 -8.001 -16.750 553 H LEU 68 HN LEU 68 148.239 -7.189 -13.646 554 HA LEU 68 HA LEU 68 146.857 -6.133 -11.351 555 1HB LEU 68 HB2 LEU 68 147.516 -8.211 -10.256 556 2HB LEU 68 HB1 LEU 68 146.791 -8.517 -11.822 557 HG LEU 68 HG LEU 68 149.617 -8.316 -12.173 558 1HD1 LEU 68 HD11 LEU 68 150.296 -8.993 -10.127 559 2HD1 LEU 68 HD12 LEU 68 149.900 -10.583 -10.780 560 3HD1 LEU 68 HD13 LEU 68 148.748 -9.745 -9.739 561 1HD2 LEU 68 HD21 LEU 68 147.436 -10.260 -12.632 562 2HD2 LEU 68 HD22 LEU 68 149.080 -10.897 -12.612 563 3HD2 LEU 68 HD23 LEU 68 148.643 -9.620 -13.748 564 H PHE 69 HN PHE 69 147.959 -4.279 -10.731 565 HA PHE 69 HA PHE 69 150.788 -4.519 -10.049 566 1HB PHE 69 HB2 PHE 69 148.906 -2.227 -10.441 567 2HB PHE 69 HB1 PHE 69 150.347 -1.990 -9.458 568 HD1 PHE 69 HD1 PHE 69 149.339 -3.366 -12.773 569 HD2 PHE 69 HD2 PHE 69 152.281 -1.304 -10.493 570 HE1 PHE 69 HE1 PHE 69 150.664 -3.009 -14.814 571 HE2 PHE 69 HE2 PHE 69 153.612 -0.942 -12.529 572 HZ PHE 69 HZ PHE 69 152.803 -1.795 -14.695 573 H ARG 70 HN ARG 70 151.433 -3.360 -7.951 574 HA ARG 70 HA ARG 70 149.514 -3.533 -5.838 575 1HB ARG 70 HB2 ARG 70 150.264 -5.842 -5.965 576 2HB ARG 70 HB1 ARG 70 151.941 -5.324 -5.888 577 1HG ARG 70 HG2 ARG 70 151.178 -4.257 -3.615 578 2HG ARG 70 HG1 ARG 70 149.895 -5.462 -3.735 579 1HD ARG 70 HD2 ARG 70 151.874 -6.243 -2.457 580 2HD ARG 70 HD1 ARG 70 151.498 -7.242 -3.860 581 HE ARG 70 HE ARG 70 153.491 -6.620 -4.810 582 1HH1 ARG 70 HH11 ARG 70 152.827 -4.550 -2.078 583 2HH1 ARG 70 HH12 ARG 70 154.401 -3.829 -2.084 584 1HH2 ARG 70 HH21 ARG 70 155.561 -5.671 -4.819 585 2HH2 ARG 70 HH22 ARG 70 155.951 -4.463 -3.641 586 H ALA 71 HN ALA 71 149.901 -2.086 -4.274 587 HA ALA 71 HA ALA 71 152.519 -0.743 -4.307 588 1HB ALA 71 HB1 ALA 71 150.737 0.737 -5.030 589 2HB ALA 71 HB2 ALA 71 151.348 1.255 -3.460 590 3HB ALA 71 HB3 ALA 71 149.820 0.381 -3.566 591 H ASP 72 HN ASP 72 153.174 0.232 -2.154 592 HA ASP 72 HA ASP 72 152.032 -1.266 0.103 593 1HB ASP 72 HB2 ASP 72 154.351 -2.122 -1.077 594 2HB ASP 72 HB1 ASP 72 154.969 -1.073 0.194 595 H ILE 73 HN ILE 73 151.913 -0.136 1.951 596 HA ILE 73 HA ILE 73 153.252 2.487 2.031 597 HB ILE 73 HB ILE 73 150.603 1.842 3.317 598 1HG1 ILE 73 HG12 ILE 73 151.181 3.274 0.714 599 2HG1 ILE 73 HG11 ILE 73 150.357 1.729 0.894 600 1HG2 ILE 73 HG21 ILE 73 152.175 4.380 2.945 601 2HG2 ILE 73 HG22 ILE 73 151.677 3.620 4.456 602 3HG2 ILE 73 HG23 ILE 73 150.472 4.360 3.403 603 1HD1 ILE 73 HD11 ILE 73 148.436 2.714 1.735 604 2HD1 ILE 73 HD12 ILE 73 148.963 3.848 0.492 605 3HD1 ILE 73 HD13 ILE 73 149.277 4.194 2.193 606 H SER 74 HN SER 74 153.793 3.289 4.132 607 HA SER 74 HA SER 74 153.647 1.599 6.437 608 1HB SER 74 HB2 SER 74 156.184 1.483 6.672 609 2HB SER 74 HB1 SER 74 155.470 0.414 5.464 610 HG SER 74 HG SER 74 156.371 2.981 4.732 611 H GLU 75 HN GLU 75 153.542 2.909 8.168 612 HA GLU 75 HA GLU 75 154.959 5.475 8.065 613 1HB GLU 75 HB2 GLU 75 152.260 5.335 9.344 614 2HB GLU 75 HB1 GLU 75 153.114 6.732 8.705 615 1HG GLU 75 HG2 GLU 75 152.694 5.108 6.494 616 2HG GLU 75 HG1 GLU 75 151.205 4.981 7.429 617 H ASP 76 HN ASP 76 156.488 4.159 9.398 618 HA ASP 76 HA ASP 76 155.484 3.815 12.103 619 1HB ASP 76 HB2 ASP 76 157.909 2.547 10.856 620 2HB ASP 76 HB1 ASP 76 157.298 2.231 12.475 621 H TYR 77 HN TYR 77 157.557 3.802 13.669 622 HA TYR 77 HA TYR 77 159.111 6.231 13.151 623 1HB TYR 77 HB2 TYR 77 157.168 5.736 15.343 624 2HB TYR 77 HB1 TYR 77 158.675 6.528 15.792 625 HD1 TYR 77 HD1 TYR 77 155.545 7.392 15.462 626 HD2 TYR 77 HD2 TYR 77 159.197 8.210 13.439 627 HE1 TYR 77 HE1 TYR 77 154.631 9.542 14.692 628 HE2 TYR 77 HE2 TYR 77 158.294 10.362 12.664 629 HH TYR 77 HH TYR 77 156.532 11.985 13.379 630 H LYS 78 HN LYS 78 160.990 6.436 14.601 631 HA LYS 78 HA LYS 78 162.747 5.628 15.859 632 1HB LYS 78 HB2 LYS 78 160.857 4.023 16.828 633 2HB LYS 78 HB1 LYS 78 161.702 2.828 15.854 634 1HG LYS 78 HG2 LYS 78 163.807 3.454 17.039 635 2HG LYS 78 HG1 LYS 78 162.837 4.479 18.101 636 1HD LYS 78 HD2 LYS 78 162.301 2.725 19.358 637 2HD LYS 78 HD1 LYS 78 161.645 1.882 17.954 638 1HE LYS 78 HE2 LYS 78 163.300 0.435 18.689 639 2HE LYS 78 HE1 LYS 78 164.116 1.345 17.417 640 1HZ LYS 78 HZ1 LYS 78 164.311 1.890 20.332 641 2HZ LYS 78 HZ2 LYS 78 165.099 2.759 19.112 642 3HZ LYS 78 HZ3 LYS 78 165.498 1.138 19.387 643 H THR 79 HN THR 79 163.507 6.105 13.625 644 HA THR 79 HA THR 79 164.950 5.589 11.928 645 HB THR 79 HB THR 79 164.953 2.720 12.871 646 HG1 THR 79 HG1 THR 79 165.450 3.903 14.678 647 1HG2 THR 79 HG21 THR 79 167.382 2.933 12.172 648 2HG2 THR 79 HG22 THR 79 166.900 4.418 11.351 649 3HG2 THR 79 HG23 THR 79 166.176 2.878 10.886 650 H ARG 80 HN ARG 80 161.986 5.166 12.015 651 HA ARG 80 HA ARG 80 161.532 3.208 9.964 652 1HB ARG 80 HB2 ARG 80 159.698 4.825 11.690 653 2HB ARG 80 HB1 ARG 80 159.138 3.737 10.427 654 1HG ARG 80 HG2 ARG 80 160.872 2.865 12.724 655 2HG ARG 80 HG1 ARG 80 159.113 2.784 12.741 656 1HD ARG 80 HD2 ARG 80 159.044 1.034 11.305 657 2HD ARG 80 HD1 ARG 80 160.456 1.578 10.405 658 HE ARG 80 HE ARG 80 160.466 -0.002 12.875 659 1HH1 ARG 80 HH11 ARG 80 162.230 1.411 10.204 660 2HH1 ARG 80 HH12 ARG 80 163.661 0.490 10.507 661 1HH2 ARG 80 HH21 ARG 80 162.351 -1.207 13.263 662 2HH2 ARG 80 HH22 ARG 80 163.731 -0.995 12.239 663 H GLY 81 HN GLY 81 159.475 4.093 8.616 664 1HA GLY 81 HA2 GLY 81 160.090 6.745 7.554 665 2HA GLY 81 HA1 GLY 81 160.187 5.377 6.452 666 H ARG 82 HN ARG 82 158.313 7.825 6.953 667 HA ARG 82 HA ARG 82 155.818 6.287 6.820 668 1HB ARG 82 HB2 ARG 82 155.696 7.728 8.696 669 2HB ARG 82 HB1 ARG 82 156.387 9.074 7.804 670 1HG ARG 82 HG2 ARG 82 153.873 8.055 6.694 671 2HG ARG 82 HG1 ARG 82 153.742 8.733 8.318 672 1HD ARG 82 HD2 ARG 82 154.291 10.840 7.634 673 2HD ARG 82 HD1 ARG 82 155.299 10.262 6.309 674 HE ARG 82 HE ARG 82 153.456 10.258 4.936 675 1HH1 ARG 82 HH11 ARG 82 152.429 10.684 8.246 676 2HH1 ARG 82 HH12 ARG 82 150.800 11.089 7.818 677 1HH2 ARG 82 HH21 ARG 82 151.316 10.789 4.374 678 2HH2 ARG 82 HH22 ARG 82 150.168 11.148 5.621 679 H LYS 83 HN LYS 83 155.139 6.028 4.785 680 HA LYS 83 HA LYS 83 154.367 8.050 3.101 681 1HB LYS 83 HB2 LYS 83 156.240 7.830 1.338 682 2HB LYS 83 HB1 LYS 83 156.493 8.892 2.716 683 1HG LYS 83 HG2 LYS 83 158.236 7.710 3.436 684 2HG LYS 83 HG1 LYS 83 157.387 6.178 3.231 685 1HD LYS 83 HD2 LYS 83 158.857 5.806 1.576 686 2HD LYS 83 HD1 LYS 83 157.858 6.919 0.641 687 1HE LYS 83 HE2 LYS 83 159.285 8.780 1.324 688 2HE LYS 83 HE1 LYS 83 160.274 7.678 2.281 689 1HZ LYS 83 HZ1 LYS 83 160.195 8.075 -0.600 690 2HZ LYS 83 HZ2 LYS 83 160.390 6.480 -0.075 691 3HZ LYS 83 HZ3 LYS 83 161.495 7.667 0.402 692 H LEU 84 HN LEU 84 153.847 7.425 0.929 693 HA LEU 84 HA LEU 84 153.417 4.524 0.674 694 1HB LEU 84 HB2 LEU 84 152.066 6.663 -0.960 695 2HB LEU 84 HB1 LEU 84 151.560 5.004 -0.724 696 HG LEU 84 HG LEU 84 151.183 5.629 1.727 697 1HD1 LEU 84 HD11 LEU 84 150.517 8.235 1.625 698 2HD1 LEU 84 HD12 LEU 84 151.933 8.233 0.573 699 3HD1 LEU 84 HD13 LEU 84 152.063 7.641 2.229 700 1HD2 LEU 84 HD21 LEU 84 149.526 5.559 -0.394 701 2HD2 LEU 84 HD22 LEU 84 149.295 7.228 0.129 702 3HD2 LEU 84 HD23 LEU 84 148.996 5.903 1.252 703 H LEU 85 HN LEU 85 154.323 3.448 -1.071 704 HA LEU 85 HA LEU 85 155.532 5.043 -3.192 705 1HB LEU 85 HB2 LEU 85 157.609 3.397 -2.702 706 2HB LEU 85 HB1 LEU 85 157.477 5.028 -2.073 707 HG LEU 85 HG LEU 85 156.485 2.640 -0.524 708 1HD1 LEU 85 HD11 LEU 85 158.776 2.151 -0.856 709 2HD1 LEU 85 HD12 LEU 85 158.666 2.894 0.740 710 3HD1 LEU 85 HD13 LEU 85 159.248 3.836 -0.633 711 1HD2 LEU 85 HD21 LEU 85 155.691 4.323 0.722 712 2HD2 LEU 85 HD22 LEU 85 156.689 5.528 -0.087 713 3HD2 LEU 85 HD23 LEU 85 157.362 4.565 1.228 714 H ARG 86 HN ARG 86 156.189 1.704 -2.196 715 HA ARG 86 HA ARG 86 156.485 0.319 -4.344 716 1HB ARG 86 HB2 ARG 86 155.170 -0.278 -1.880 717 2HB ARG 86 HB1 ARG 86 154.342 -1.125 -3.179 718 1HG ARG 86 HG2 ARG 86 155.946 -2.645 -2.517 719 2HG ARG 86 HG1 ARG 86 156.711 -1.856 -3.899 720 1HD ARG 86 HD2 ARG 86 158.433 -1.749 -2.409 721 2HD ARG 86 HD1 ARG 86 157.616 -0.237 -2.016 722 HE ARG 86 HE ARG 86 157.262 -1.077 0.064 723 1HH1 ARG 86 HH11 ARG 86 157.582 -3.765 -2.140 724 2HH1 ARG 86 HH12 ARG 86 157.441 -4.962 -0.896 725 1HH2 ARG 86 HH21 ARG 86 157.078 -2.650 1.701 726 2HH2 ARG 86 HH22 ARG 86 157.155 -4.329 1.285 727 H PHE 87 HN PHE 87 155.652 -0.109 -6.271 728 HA PHE 87 HA PHE 87 152.866 -0.120 -6.851 729 1HB PHE 87 HB2 PHE 87 154.062 2.416 -6.870 730 2HB PHE 87 HB1 PHE 87 153.952 1.954 -8.564 731 HD1 PHE 87 HD1 PHE 87 151.740 1.397 -9.544 732 HD2 PHE 87 HD2 PHE 87 152.149 3.019 -5.632 733 HE1 PHE 87 HE1 PHE 87 149.363 2.037 -9.565 734 HE2 PHE 87 HE2 PHE 87 149.774 3.661 -5.645 735 HZ PHE 87 HZ PHE 87 148.378 3.169 -7.616 736 H ASN 88 HN ASN 88 153.648 -2.187 -7.603 737 HA ASN 88 HA ASN 88 154.522 -2.055 -10.377 738 1HB ASN 88 HB2 ASN 88 156.225 -2.946 -8.187 739 2HB ASN 88 HB1 ASN 88 156.015 -4.195 -9.412 740 1HD2 ASN 88 HD21 ASN 88 156.554 -3.667 -11.605 741 2HD2 ASN 88 HD22 ASN 88 157.761 -2.474 -11.932 742 H GLY 89 HN GLY 89 154.230 -4.093 -11.526 743 1HA GLY 89 HA2 GLY 89 152.264 -5.858 -10.203 744 2HA GLY 89 HA1 GLY 89 152.048 -5.297 -11.853 745 HA PRO 90 HA PRO 90 155.628 -8.627 -11.631 746 1HB PRO 90 HB2 PRO 90 155.013 -10.633 -9.891 747 2HB PRO 90 HB1 PRO 90 156.040 -9.259 -9.467 748 1HG PRO 90 HG2 PRO 90 153.136 -9.700 -8.894 749 2HG PRO 90 HG1 PRO 90 154.402 -9.054 -7.831 750 1HD PRO 90 HD2 PRO 90 152.632 -7.456 -9.095 751 2HD PRO 90 HD1 PRO 90 154.306 -6.952 -8.786 752 H VAL 91 HN VAL 91 155.179 -9.573 -13.514 753 HA VAL 91 HA VAL 91 152.617 -10.816 -14.010 754 HB VAL 91 HB VAL 91 155.033 -10.745 -15.820 755 1HG1 VAL 91 HG11 VAL 91 153.374 -12.411 -16.448 756 2HG1 VAL 91 HG12 VAL 91 153.388 -11.083 -17.606 757 3HG1 VAL 91 HG13 VAL 91 152.106 -11.187 -16.400 758 1HG2 VAL 91 HG21 VAL 91 153.770 -8.532 -14.905 759 2HG2 VAL 91 HG22 VAL 91 152.795 -8.903 -16.326 760 3HG2 VAL 91 HG23 VAL 91 154.533 -8.652 -16.490 Start of MODEL 9 1 1H GLY 1 HT1 GLY 1 150.502 -4.479 16.689 2 2H GLY 1 HT2 GLY 1 149.161 -3.760 17.428 3 3H GLY 1 HT3 GLY 1 149.355 -3.660 15.750 4 1HA GLY 1 HA1 GLY 1 148.590 -5.993 17.386 5 2HA GLY 1 HA2 GLY 1 147.749 -5.302 16.007 6 H GLU 2 HN GLU 2 150.284 -5.025 14.494 7 HA GLU 2 HA GLU 2 151.472 -6.193 12.947 8 1HB GLU 2 HB2 GLU 2 152.231 -7.242 15.253 9 2HB GLU 2 HB1 GLU 2 151.398 -8.658 14.629 10 1HG GLU 2 HG2 GLU 2 153.157 -7.489 12.653 11 2HG GLU 2 HG1 GLU 2 154.015 -7.915 14.133 12 H TRP 3 HN TRP 3 150.226 -6.502 11.203 13 HA TRP 3 HA TRP 3 148.852 -7.507 9.691 14 1HB TRP 3 HB2 TRP 3 150.419 -9.409 10.137 15 2HB TRP 3 HB1 TRP 3 149.288 -9.999 11.351 16 HD1 TRP 3 HD1 TRP 3 147.864 -8.608 8.111 17 HE1 TRP 3 HE1 TRP 3 146.861 -10.542 6.741 18 HE3 TRP 3 HE3 TRP 3 149.557 -12.545 10.899 19 HZ2 TRP 3 HZ2 TRP 3 146.793 -13.362 6.830 20 HZ3 TRP 3 HZ3 TRP 3 148.980 -14.829 10.189 21 HH2 TRP 3 HH2 TRP 3 147.625 -15.227 8.196 22 H GLU 4 HN GLU 4 146.997 -6.349 10.267 23 HA GLU 4 HA GLU 4 145.074 -7.869 11.904 24 1HB GLU 4 HB2 GLU 4 145.741 -4.962 11.889 25 2HB GLU 4 HB1 GLU 4 144.071 -5.427 12.190 26 1HG GLU 4 HG2 GLU 4 146.426 -6.461 13.750 27 2HG GLU 4 HG1 GLU 4 145.426 -5.095 14.239 28 H ILE 5 HN ILE 5 145.228 -8.401 9.240 29 HA ILE 5 HA ILE 5 143.621 -6.848 7.568 30 HB ILE 5 HB ILE 5 145.118 -8.608 6.728 31 1HG1 ILE 5 HG12 ILE 5 143.627 -9.493 5.000 32 2HG1 ILE 5 HG11 ILE 5 142.224 -9.082 5.980 33 1HG2 ILE 5 HG21 ILE 5 144.131 -10.186 8.663 34 2HG2 ILE 5 HG22 ILE 5 144.949 -10.802 7.227 35 3HG2 ILE 5 HG23 ILE 5 143.188 -10.765 7.289 36 1HD1 ILE 5 HD11 ILE 5 143.876 -6.771 5.592 37 2HD1 ILE 5 HD12 ILE 5 142.188 -7.033 5.155 38 3HD1 ILE 5 HD13 ILE 5 143.471 -7.513 4.044 39 H ILE 6 HN ILE 6 141.472 -6.532 7.516 40 HA ILE 6 HA ILE 6 139.736 -8.561 8.745 41 HB ILE 6 HB ILE 6 139.420 -5.587 9.166 42 1HG1 ILE 6 HG12 ILE 6 139.977 -7.578 11.337 43 2HG1 ILE 6 HG11 ILE 6 141.308 -6.920 10.392 44 1HG2 ILE 6 HG21 ILE 6 137.615 -6.186 10.675 45 2HG2 ILE 6 HG22 ILE 6 137.869 -7.896 10.326 46 3HG2 ILE 6 HG23 ILE 6 137.296 -6.813 9.058 47 1HD1 ILE 6 HD11 ILE 6 141.346 -5.209 11.789 48 2HD1 ILE 6 HD12 ILE 6 139.861 -5.748 12.572 49 3HD1 ILE 6 HD13 ILE 6 139.781 -4.714 11.146 50 H GLU 7 HN GLU 7 139.036 -5.370 7.332 51 HA GLU 7 HA GLU 7 136.901 -6.458 5.773 52 1HB GLU 7 HB2 GLU 7 138.149 -3.706 5.704 53 2HB GLU 7 HB1 GLU 7 136.637 -4.162 4.928 54 1HG GLU 7 HG2 GLU 7 136.067 -4.922 7.417 55 2HG GLU 7 HG1 GLU 7 137.231 -3.649 7.776 56 H ILE 8 HN ILE 8 136.745 -5.730 3.392 57 HA ILE 8 HA ILE 8 139.243 -5.825 1.931 58 HB ILE 8 HB ILE 8 138.542 -7.775 0.555 59 1HG1 ILE 8 HG12 ILE 8 136.903 -9.325 1.925 60 2HG1 ILE 8 HG11 ILE 8 136.331 -7.791 2.574 61 1HG2 ILE 8 HG21 ILE 8 139.267 -9.463 2.140 62 2HG2 ILE 8 HG22 ILE 8 138.904 -8.384 3.487 63 3HG2 ILE 8 HG23 ILE 8 140.199 -7.981 2.358 64 1HD1 ILE 8 HD11 ILE 8 135.381 -8.973 0.336 65 2HD1 ILE 8 HD12 ILE 8 136.575 -7.869 -0.343 66 3HD1 ILE 8 HD13 ILE 8 135.279 -7.245 0.677 67 H GLY 9 HN GLY 9 136.759 -4.126 2.279 68 1HA GLY 9 HA2 GLY 9 135.852 -4.095 -0.529 69 2HA GLY 9 HA1 GLY 9 134.942 -3.441 0.825 70 HA PRO 10 HA PRO 10 136.531 0.547 -0.240 71 1HB PRO 10 HB2 PRO 10 136.423 1.767 2.200 72 2HB PRO 10 HB1 PRO 10 135.002 1.490 1.188 73 1HG PRO 10 HG2 PRO 10 136.003 -0.089 3.526 74 2HG PRO 10 HG1 PRO 10 134.342 0.381 3.122 75 1HD PRO 10 HD2 PRO 10 135.285 -2.096 2.630 76 2HD PRO 10 HD1 PRO 10 134.108 -1.306 1.559 77 H PHE 11 HN PHE 11 137.857 -1.206 2.495 78 HA PHE 11 HA PHE 11 140.107 0.274 3.071 79 1HB PHE 11 HB2 PHE 11 139.447 -1.590 4.451 80 2HB PHE 11 HB1 PHE 11 139.691 -2.718 3.124 81 HD1 PHE 11 HD1 PHE 11 141.130 -1.234 5.992 82 HD2 PHE 11 HD2 PHE 11 142.096 -2.893 2.196 83 HE1 PHE 11 HE1 PHE 11 143.435 -1.630 6.757 84 HE2 PHE 11 HE2 PHE 11 144.403 -3.294 2.953 85 HZ PHE 11 HZ PHE 11 145.074 -2.661 5.235 86 H THR 12 HN THR 12 139.589 -2.097 0.512 87 HA THR 12 HA THR 12 142.305 -2.035 -0.405 88 HB THR 12 HB THR 12 140.701 -2.993 -2.486 89 HG1 THR 12 HG1 THR 12 139.722 -4.063 -0.068 90 1HG2 THR 12 HG21 THR 12 142.696 -3.991 -0.780 91 2HG2 THR 12 HG22 THR 12 142.091 -4.694 -2.279 92 3HG2 THR 12 HG23 THR 12 141.360 -5.142 -0.738 93 H GLN 13 HN GLN 13 139.237 -0.915 -1.842 94 HA GLN 13 HA GLN 13 140.261 0.444 -4.014 95 1HB GLN 13 HB2 GLN 13 137.837 0.040 -3.520 96 2HB GLN 13 HB1 GLN 13 137.906 1.353 -2.353 97 1HG GLN 13 HG2 GLN 13 137.757 2.916 -3.932 98 2HG GLN 13 HG1 GLN 13 138.917 2.099 -4.979 99 1HE2 GLN 13 HE21 GLN 13 138.191 0.661 -6.521 100 2HE2 GLN 13 HE22 GLN 13 136.527 0.536 -6.970 101 H ASN 14 HN ASN 14 140.278 1.328 -0.659 102 HA ASN 14 HA ASN 14 140.644 4.058 -0.775 103 1HB ASN 14 HB2 ASN 14 140.791 2.074 1.192 104 2HB ASN 14 HB1 ASN 14 142.372 2.847 1.221 105 1HD2 ASN 14 HD21 ASN 14 142.161 3.921 3.115 106 2HD2 ASN 14 HD22 ASN 14 141.017 5.189 3.386 107 H LEU 15 HN LEU 15 143.291 1.676 -0.439 108 HA LEU 15 HA LEU 15 145.372 3.428 -0.933 109 1HB LEU 15 HB2 LEU 15 145.173 0.725 -0.516 110 2HB LEU 15 HB1 LEU 15 145.747 0.797 -2.172 111 HG LEU 15 HG LEU 15 147.289 2.619 -0.597 112 1HD1 LEU 15 HD11 LEU 15 147.186 1.592 1.403 113 2HD1 LEU 15 HD12 LEU 15 148.339 0.482 0.663 114 3HD1 LEU 15 HD13 LEU 15 146.625 0.069 0.715 115 1HD2 LEU 15 HD21 LEU 15 148.594 0.144 -1.398 116 2HD2 LEU 15 HD22 LEU 15 148.910 1.805 -1.895 117 3HD2 LEU 15 HD23 LEU 15 147.649 0.871 -2.697 118 H GLY 16 HN GLY 16 143.077 2.007 -3.118 119 1HA GLY 16 HA2 GLY 16 144.399 2.379 -5.564 120 2HA GLY 16 HA1 GLY 16 142.652 2.406 -5.343 121 H LYS 17 HN LYS 17 142.405 4.594 -3.625 122 HA LYS 17 HA LYS 17 142.455 6.747 -5.459 123 1HB LYS 17 HB2 LYS 17 142.319 6.996 -2.452 124 2HB LYS 17 HB1 LYS 17 141.679 8.113 -3.650 125 1HG LYS 17 HG2 LYS 17 140.349 5.851 -4.308 126 2HG LYS 17 HG1 LYS 17 140.534 5.638 -2.566 127 1HD LYS 17 HD2 LYS 17 139.603 7.936 -2.263 128 2HD LYS 17 HD1 LYS 17 139.276 7.976 -3.997 129 1HE LYS 17 HE2 LYS 17 138.271 5.626 -2.510 130 2HE LYS 17 HE1 LYS 17 137.482 7.167 -2.174 131 1HZ LYS 17 HZ1 LYS 17 136.252 6.534 -3.939 132 2HZ LYS 17 HZ2 LYS 17 137.467 5.566 -4.605 133 3HZ LYS 17 HZ3 LYS 17 137.515 7.243 -4.813 134 H PHE 18 HN PHE 18 144.434 6.023 -2.600 135 HA PHE 18 HA PHE 18 146.217 8.196 -2.961 136 1HB PHE 18 HB2 PHE 18 146.531 5.610 -1.427 137 2HB PHE 18 HB1 PHE 18 147.667 6.953 -1.345 138 HD1 PHE 18 HD1 PHE 18 146.192 9.306 -1.042 139 HD2 PHE 18 HD2 PHE 18 145.258 5.437 0.462 140 HE1 PHE 18 HE1 PHE 18 144.854 10.333 0.750 141 HE2 PHE 18 HE2 PHE 18 143.917 6.455 2.258 142 HZ PHE 18 HZ PHE 18 143.714 8.906 2.403 143 H ALA 19 HN ALA 19 145.843 5.256 -4.568 144 HA ALA 19 HA ALA 19 148.495 4.632 -5.264 145 1HB ALA 19 HB1 ALA 19 146.124 3.414 -5.659 146 2HB ALA 19 HB2 ALA 19 147.598 2.995 -6.534 147 3HB ALA 19 HB3 ALA 19 146.409 4.070 -7.272 148 H VAL 20 HN VAL 20 145.991 6.277 -7.202 149 HA VAL 20 HA VAL 20 147.761 7.108 -9.235 150 HB VAL 20 HB VAL 20 145.328 7.016 -9.563 151 1HG1 VAL 20 HG11 VAL 20 144.625 7.813 -7.369 152 2HG1 VAL 20 HG12 VAL 20 143.881 8.766 -8.653 153 3HG1 VAL 20 HG13 VAL 20 145.243 9.421 -7.744 154 1HG2 VAL 20 HG21 VAL 20 146.458 8.333 -11.153 155 2HG2 VAL 20 HG22 VAL 20 146.693 9.656 -10.011 156 3HG2 VAL 20 HG23 VAL 20 145.082 9.308 -10.638 157 H ASP 21 HN ASP 21 146.924 8.453 -6.133 158 HA ASP 21 HA ASP 21 148.097 11.033 -6.696 159 1HB ASP 21 HB2 ASP 21 146.154 10.592 -5.096 160 2HB ASP 21 HB1 ASP 21 147.360 9.963 -3.976 161 H GLU 22 HN GLU 22 149.185 7.978 -5.532 162 HA GLU 22 HA GLU 22 151.636 9.182 -4.455 163 1HB GLU 22 HB2 GLU 22 152.013 7.188 -3.249 164 2HB GLU 22 HB1 GLU 22 150.294 7.515 -3.087 165 1HG GLU 22 HG2 GLU 22 149.979 5.915 -5.044 166 2HG GLU 22 HG1 GLU 22 151.649 5.431 -4.761 167 H GLU 23 HN GLU 23 150.421 7.352 -7.111 168 HA GLU 23 HA GLU 23 152.599 5.906 -7.975 169 1HB GLU 23 HB2 GLU 23 150.160 6.408 -9.002 170 2HB GLU 23 HB1 GLU 23 151.134 7.409 -10.069 171 1HG GLU 23 HG2 GLU 23 151.686 4.499 -9.558 172 2HG GLU 23 HG1 GLU 23 150.685 5.090 -10.885 173 H ASN 24 HN ASN 24 152.091 9.353 -8.068 174 HA ASN 24 HA ASN 24 154.292 9.878 -9.846 175 1HB ASN 24 HB2 ASN 24 152.919 11.865 -8.036 176 2HB ASN 24 HB1 ASN 24 153.796 12.190 -9.527 177 1HD2 ASN 24 HD21 ASN 24 152.715 10.126 -11.095 178 2HD2 ASN 24 HD22 ASN 24 151.055 10.492 -11.398 179 H LYS 25 HN LYS 25 153.913 9.377 -6.459 180 HA LYS 25 HA LYS 25 156.171 10.859 -5.576 181 1HB LYS 25 HB2 LYS 25 154.161 9.160 -4.402 182 2HB LYS 25 HB1 LYS 25 155.747 8.732 -3.777 183 1HG LYS 25 HG2 LYS 25 155.796 11.460 -3.644 184 2HG LYS 25 HG1 LYS 25 154.106 11.094 -3.286 185 1HD LYS 25 HD2 LYS 25 154.853 9.501 -1.553 186 2HD LYS 25 HD1 LYS 25 156.526 9.959 -1.882 187 1HE LYS 25 HE2 LYS 25 156.256 12.081 -0.992 188 2HE LYS 25 HE1 LYS 25 154.504 12.052 -1.193 189 1HZ LYS 25 HZ1 LYS 25 154.774 11.756 1.065 190 2HZ LYS 25 HZ2 LYS 25 156.149 10.784 0.898 191 3HZ LYS 25 HZ3 LYS 25 154.622 10.158 0.529 192 H ILE 26 HN ILE 26 155.941 7.345 -5.147 193 HA ILE 26 HA ILE 26 158.618 6.803 -5.091 194 HB ILE 26 HB ILE 26 156.767 5.188 -4.607 195 1HG1 ILE 26 HG12 ILE 26 159.211 4.573 -4.848 196 2HG1 ILE 26 HG11 ILE 26 158.071 3.255 -5.084 197 1HG2 ILE 26 HG21 ILE 26 155.869 3.828 -6.408 198 2HG2 ILE 26 HG22 ILE 26 156.771 4.773 -7.592 199 3HG2 ILE 26 HG23 ILE 26 155.480 5.531 -6.659 200 1HD1 ILE 26 HD11 ILE 26 158.456 4.284 -7.628 201 2HD1 ILE 26 HD12 ILE 26 159.157 2.811 -6.961 202 3HD1 ILE 26 HD13 ILE 26 160.053 4.328 -6.882 203 H GLY 27 HN GLY 27 156.552 6.989 -7.966 204 1HA GLY 27 HA2 GLY 27 158.903 6.557 -9.669 205 2HA GLY 27 HA1 GLY 27 157.228 6.507 -10.198 206 H GLN 28 HN GLN 28 158.515 7.876 -11.881 207 HA GLN 28 HA GLN 28 158.608 10.687 -11.055 208 1HB GLN 28 HB2 GLN 28 160.005 9.072 -13.074 209 2HB GLN 28 HB1 GLN 28 159.487 10.650 -13.652 210 1HG GLN 28 HG2 GLN 28 160.629 11.663 -11.679 211 2HG GLN 28 HG1 GLN 28 161.270 10.064 -11.302 212 1HE2 GLN 28 HE21 GLN 28 161.855 12.916 -12.882 213 2HE2 GLN 28 HE22 GLN 28 163.123 12.396 -13.933 214 H TYR 29 HN TYR 29 157.554 8.854 -13.934 215 HA TYR 29 HA TYR 29 155.635 10.928 -14.582 216 1HB TYR 29 HB2 TYR 29 156.961 9.816 -16.358 217 2HB TYR 29 HB1 TYR 29 156.171 8.293 -15.968 218 HD1 TYR 29 HD1 TYR 29 154.626 7.676 -17.555 219 HD2 TYR 29 HD2 TYR 29 154.998 11.797 -16.566 220 HE1 TYR 29 HE1 TYR 29 152.813 8.212 -19.129 221 HE2 TYR 29 HE2 TYR 29 153.186 12.344 -18.136 222 HH TYR 29 HH TYR 29 152.197 11.231 -20.268 223 H GLY 30 HN GLY 30 153.433 10.768 -14.468 224 1HA GLY 30 HA2 GLY 30 152.397 8.767 -12.648 225 2HA GLY 30 HA1 GLY 30 151.518 10.138 -13.306 226 H ARG 31 HN ARG 31 150.212 7.790 -13.149 227 HA ARG 31 HA ARG 31 149.558 7.284 -15.886 228 1HB ARG 31 HB2 ARG 31 151.592 5.812 -15.402 229 2HB ARG 31 HB1 ARG 31 150.536 4.894 -14.337 230 1HG ARG 31 HG2 ARG 31 149.331 5.284 -16.935 231 2HG ARG 31 HG1 ARG 31 150.913 4.513 -17.060 232 1HD ARG 31 HD2 ARG 31 149.471 3.334 -14.893 233 2HD ARG 31 HD1 ARG 31 148.445 3.346 -16.327 234 HE ARG 31 HE ARG 31 149.835 1.803 -17.303 235 1HH1 ARG 31 HH11 ARG 31 151.398 3.125 -14.474 236 2HH1 ARG 31 HH12 ARG 31 152.695 1.978 -14.502 237 1HH2 ARG 31 HH21 ARG 31 151.543 0.295 -17.337 238 2HH2 ARG 31 HH22 ARG 31 152.777 0.373 -16.128 239 H LEU 32 HN LEU 32 147.643 5.993 -16.129 240 HA LEU 32 HA LEU 32 145.879 6.248 -13.854 241 1HB LEU 32 HB2 LEU 32 145.603 6.160 -16.698 242 2HB LEU 32 HB1 LEU 32 144.595 4.905 -16.002 243 HG LEU 32 HG LEU 32 144.411 7.596 -14.768 244 1HD1 LEU 32 HD11 LEU 32 144.400 7.584 -17.460 245 2HD1 LEU 32 HD12 LEU 32 143.427 8.681 -16.480 246 3HD1 LEU 32 HD13 LEU 32 142.706 7.213 -17.139 247 1HD2 LEU 32 HD21 LEU 32 142.274 5.641 -15.590 248 2HD2 LEU 32 HD22 LEU 32 142.141 6.972 -14.441 249 3HD2 LEU 32 HD23 LEU 32 143.127 5.562 -14.047 250 H THR 33 HN THR 33 145.124 4.648 -12.589 251 HA THR 33 HA THR 33 145.400 1.870 -13.388 252 HB THR 33 HB THR 33 147.575 2.444 -12.344 253 HG1 THR 33 HG1 THR 33 145.852 0.629 -11.049 254 1HG2 THR 33 HG21 THR 33 147.764 3.622 -10.491 255 2HG2 THR 33 HG22 THR 33 146.768 2.462 -9.614 256 3HG2 THR 33 HG23 THR 33 146.012 3.813 -10.458 257 H PHE 34 HN PHE 34 143.090 3.363 -13.027 258 HA PHE 34 HA PHE 34 142.062 2.486 -10.418 259 1HB PHE 34 HB2 PHE 34 141.850 4.929 -11.594 260 2HB PHE 34 HB1 PHE 34 140.344 4.182 -12.112 261 HD1 PHE 34 HD1 PHE 34 138.509 4.273 -10.724 262 HD2 PHE 34 HD2 PHE 34 142.394 4.726 -9.051 263 HE1 PHE 34 HE1 PHE 34 137.503 4.779 -8.535 264 HE2 PHE 34 HE2 PHE 34 141.397 5.231 -6.860 265 HZ PHE 34 HZ PHE 34 138.949 5.259 -6.600 266 H ASN 35 HN ASN 35 142.437 0.774 -12.862 267 HA ASN 35 HA ASN 35 139.850 0.232 -13.923 268 1HB ASN 35 HB2 ASN 35 142.115 -0.351 -14.962 269 2HB ASN 35 HB1 ASN 35 142.144 -1.722 -13.857 270 1HD2 ASN 35 HD21 ASN 35 139.947 -0.161 -16.162 271 2HD2 ASN 35 HD22 ASN 35 139.349 -1.629 -16.848 272 H LYS 36 HN LYS 36 141.906 -1.723 -11.746 273 HA LYS 36 HA LYS 36 139.556 -2.432 -10.183 274 1HB LYS 36 HB2 LYS 36 140.907 -4.267 -12.044 275 2HB LYS 36 HB1 LYS 36 140.680 -4.912 -10.423 276 1HG LYS 36 HG2 LYS 36 138.299 -4.522 -10.566 277 2HG LYS 36 HG1 LYS 36 138.493 -3.771 -12.151 278 1HD LYS 36 HD2 LYS 36 138.803 -5.762 -13.208 279 2HD LYS 36 HD1 LYS 36 139.587 -6.502 -11.811 280 1HE LYS 36 HE2 LYS 36 136.715 -5.817 -11.556 281 2HE LYS 36 HE1 LYS 36 137.131 -7.170 -12.607 282 1HZ LYS 36 HZ1 LYS 36 138.176 -6.971 -9.848 283 2HZ LYS 36 HZ2 LYS 36 138.082 -8.337 -10.841 284 3HZ LYS 36 HZ3 LYS 36 136.674 -7.676 -10.177 285 H VAL 37 HN VAL 37 140.749 -1.129 -8.652 286 HA VAL 37 HA VAL 37 143.262 -2.213 -7.669 287 HB VAL 37 HB VAL 37 141.722 0.135 -6.566 288 1HG1 VAL 37 HG11 VAL 37 144.538 0.404 -6.343 289 2HG1 VAL 37 HG12 VAL 37 144.096 -1.199 -5.754 290 3HG1 VAL 37 HG13 VAL 37 143.342 0.235 -5.057 291 1HG2 VAL 37 HG21 VAL 37 143.897 1.067 -8.069 292 2HG2 VAL 37 HG22 VAL 37 142.181 1.252 -8.432 293 3HG2 VAL 37 HG23 VAL 37 143.079 -0.117 -9.089 294 H ILE 38 HN ILE 38 142.867 -4.100 -6.562 295 HA ILE 38 HA ILE 38 141.671 -3.825 -3.975 296 HB ILE 38 HB ILE 38 140.113 -5.846 -4.393 297 1HG1 ILE 38 HG12 ILE 38 140.092 -4.719 -7.191 298 2HG1 ILE 38 HG11 ILE 38 141.064 -6.125 -6.763 299 1HG2 ILE 38 HG21 ILE 38 139.667 -3.223 -4.139 300 2HG2 ILE 38 HG22 ILE 38 138.377 -4.402 -4.386 301 3HG2 ILE 38 HG23 ILE 38 138.999 -3.476 -5.752 302 1HD1 ILE 38 HD11 ILE 38 138.750 -6.497 -7.791 303 2HD1 ILE 38 HD12 ILE 38 138.127 -6.051 -6.202 304 3HD1 ILE 38 HD13 ILE 38 139.195 -7.444 -6.370 305 H LYS 39 HN LYS 39 141.343 -7.037 -5.015 306 HA LYS 39 HA LYS 39 142.542 -8.934 -4.730 307 1HB LYS 39 HB2 LYS 39 144.558 -6.961 -5.408 308 2HB LYS 39 HB1 LYS 39 145.194 -8.185 -4.318 309 1HG LYS 39 HG2 LYS 39 145.632 -9.153 -6.335 310 2HG LYS 39 HG1 LYS 39 144.044 -9.837 -5.991 311 1HD LYS 39 HD2 LYS 39 143.506 -7.431 -7.278 312 2HD LYS 39 HD1 LYS 39 144.884 -8.103 -8.150 313 1HE LYS 39 HE2 LYS 39 142.925 -8.922 -9.213 314 2HE LYS 39 HE1 LYS 39 143.612 -10.261 -8.297 315 1HZ LYS 39 HZ1 LYS 39 141.067 -9.672 -8.179 316 2HZ LYS 39 HZ2 LYS 39 141.595 -8.603 -6.981 317 3HZ LYS 39 HZ3 LYS 39 141.898 -10.259 -6.826 318 HA PRO 40 HA PRO 40 142.987 -9.673 -0.428 319 1HB PRO 40 HB2 PRO 40 145.292 -11.192 -0.261 320 2HB PRO 40 HB1 PRO 40 143.697 -11.820 -0.681 321 1HG PRO 40 HG2 PRO 40 145.967 -11.057 -2.466 322 2HG PRO 40 HG1 PRO 40 144.852 -12.430 -2.593 323 1HD PRO 40 HD2 PRO 40 144.572 -10.258 -4.133 324 2HD PRO 40 HD1 PRO 40 143.160 -11.133 -3.506 325 H CYS 41 HN CYS 41 143.443 -7.411 -0.033 326 HA CYS 41 HA CYS 41 146.133 -6.458 0.147 327 1HB CYS 41 HB2 CYS 41 145.077 -4.499 1.272 328 2HB CYS 41 HB1 CYS 41 144.334 -4.900 -0.273 329 HG CYS 41 HG CYS 41 142.314 -4.617 1.164 330 H MET 42 HN MET 42 146.373 -5.161 2.507 331 HA MET 42 HA MET 42 145.707 -6.578 4.826 332 1HB MET 42 HB2 MET 42 147.905 -7.701 3.314 333 2HB MET 42 HB1 MET 42 148.441 -7.185 4.907 334 1HG MET 42 HG2 MET 42 147.192 -8.738 5.987 335 2HG MET 42 HG1 MET 42 145.935 -8.751 4.753 336 1HE MET 42 HE1 MET 42 150.045 -10.701 4.325 337 2HE MET 42 HE2 MET 42 149.661 -9.111 4.985 338 3HE MET 42 HE3 MET 42 149.693 -9.356 3.238 339 H LYS 43 HN LYS 43 146.669 -5.708 6.724 340 HA LYS 43 HA LYS 43 148.326 -3.311 6.315 341 1HB LYS 43 HB2 LYS 43 145.627 -3.271 7.040 342 2HB LYS 43 HB1 LYS 43 146.492 -3.023 8.549 343 1HG LYS 43 HG2 LYS 43 147.424 -1.427 6.256 344 2HG LYS 43 HG1 LYS 43 145.816 -1.042 6.870 345 1HD LYS 43 HD2 LYS 43 147.874 -1.408 8.936 346 2HD LYS 43 HD1 LYS 43 148.134 -0.028 7.866 347 1HE LYS 43 HE2 LYS 43 146.768 1.045 9.288 348 2HE LYS 43 HE1 LYS 43 145.485 0.216 8.406 349 1HZ LYS 43 HZ1 LYS 43 144.928 -0.463 10.462 350 2HZ LYS 43 HZ2 LYS 43 146.480 -0.241 11.094 351 3HZ LYS 43 HZ3 LYS 43 146.124 -1.635 10.205 352 H LYS 44 HN LYS 44 149.830 -2.895 7.936 353 HA LYS 44 HA LYS 44 149.934 -4.828 10.151 354 1HB LYS 44 HB2 LYS 44 151.692 -4.756 7.965 355 2HB LYS 44 HB1 LYS 44 152.582 -4.036 9.298 356 1HG LYS 44 HG2 LYS 44 152.291 -5.991 10.639 357 2HG LYS 44 HG1 LYS 44 151.182 -6.694 9.462 358 1HD LYS 44 HD2 LYS 44 153.303 -7.748 9.173 359 2HD LYS 44 HD1 LYS 44 153.061 -6.661 7.804 360 1HE LYS 44 HE2 LYS 44 154.401 -5.421 10.090 361 2HE LYS 44 HE1 LYS 44 155.298 -6.759 9.375 362 1HZ LYS 44 HZ1 LYS 44 156.021 -5.136 8.014 363 2HZ LYS 44 HZ2 LYS 44 154.673 -4.146 8.270 364 3HZ LYS 44 HZ3 LYS 44 154.575 -5.443 7.188 365 H THR 45 HN THR 45 149.121 -3.219 11.553 366 HA THR 45 HA THR 45 150.682 -0.828 11.896 367 HB THR 45 HB THR 45 148.357 -0.393 11.891 368 HG1 THR 45 HG1 THR 45 149.229 0.826 13.476 369 1HG2 THR 45 HG21 THR 45 148.100 -2.587 13.927 370 2HG2 THR 45 HG22 THR 45 147.407 -2.533 12.306 371 3HG2 THR 45 HG23 THR 45 146.825 -1.426 13.550 372 H ILE 46 HN ILE 46 151.893 -0.331 13.678 373 HA ILE 46 HA ILE 46 151.921 -2.249 15.894 374 HB ILE 46 HB ILE 46 154.527 -1.885 15.848 375 1HG1 ILE 46 HG12 ILE 46 154.138 -0.455 13.686 376 2HG1 ILE 46 HG11 ILE 46 155.527 -1.531 13.790 377 1HG2 ILE 46 HG21 ILE 46 154.586 -3.987 14.288 378 2HG2 ILE 46 HG22 ILE 46 152.832 -3.892 14.451 379 3HG2 ILE 46 HG23 ILE 46 153.845 -4.067 15.885 380 1HD1 ILE 46 HD11 ILE 46 152.930 -2.122 12.392 381 2HD1 ILE 46 HD12 ILE 46 154.312 -3.211 12.503 382 3HD1 ILE 46 HD13 ILE 46 154.457 -1.689 11.626 383 H TYR 47 HN TYR 47 151.248 -0.933 17.444 384 HA TYR 47 HA TYR 47 152.626 1.641 17.780 385 1HB TYR 47 HB2 TYR 47 150.645 2.242 19.221 386 2HB TYR 47 HB1 TYR 47 150.279 2.006 17.516 387 HD1 TYR 47 HD1 TYR 47 149.786 0.744 20.900 388 HD2 TYR 47 HD2 TYR 47 149.026 0.031 16.774 389 HE1 TYR 47 HE1 TYR 47 148.062 -0.900 21.508 390 HE2 TYR 47 HE2 TYR 47 147.299 -1.615 17.371 391 HH TYR 47 HH TYR 47 146.792 -3.110 19.371 392 H GLU 48 HN GLU 48 153.356 2.261 19.844 393 HA GLU 48 HA GLU 48 154.279 0.077 21.445 394 1HB GLU 48 HB2 GLU 48 155.660 2.086 20.988 395 2HB GLU 48 HB1 GLU 48 154.547 3.030 21.966 396 1HG GLU 48 HG2 GLU 48 156.085 2.607 23.558 397 2HG GLU 48 HG1 GLU 48 155.137 1.132 23.740 398 H ASN 49 HN ASN 49 152.810 3.031 22.584 399 HA ASN 49 HA ASN 49 150.507 1.963 23.734 400 1HB ASN 49 HB2 ASN 49 152.725 1.102 25.140 401 2HB ASN 49 HB1 ASN 49 152.192 2.501 26.068 402 1HD2 ASN 49 HD21 ASN 49 150.410 0.041 24.243 403 2HD2 ASN 49 HD22 ASN 49 149.436 -0.483 25.571 404 H GLU 50 HN GLU 50 153.107 4.200 24.705 405 HA GLU 50 HA GLU 50 151.097 6.290 25.125 406 1HB GLU 50 HB2 GLU 50 153.022 5.636 26.791 407 2HB GLU 50 HB1 GLU 50 154.007 6.640 25.740 408 1HG GLU 50 HG2 GLU 50 152.094 8.381 26.100 409 2HG GLU 50 HG1 GLU 50 151.758 7.407 27.530 410 H ARG 51 HN ARG 51 151.736 5.473 22.470 411 HA ARG 51 HA ARG 51 152.119 6.400 20.429 412 1HB ARG 51 HB2 ARG 51 152.619 9.038 21.795 413 2HB ARG 51 HB1 ARG 51 152.018 8.753 20.168 414 1HG ARG 51 HG2 ARG 51 149.896 8.129 20.938 415 2HG ARG 51 HG1 ARG 51 150.470 7.910 22.593 416 1HD ARG 51 HD2 ARG 51 149.191 9.964 22.411 417 2HD ARG 51 HD1 ARG 51 150.882 10.323 22.755 418 HE ARG 51 HE ARG 51 150.216 10.360 19.953 419 1HH1 ARG 51 HH11 ARG 51 150.377 12.232 22.896 420 2HH1 ARG 51 HH12 ARG 51 150.492 13.749 22.071 421 1HH2 ARG 51 HH21 ARG 51 150.368 12.355 18.869 422 2HH2 ARG 51 HH22 ARG 51 150.486 13.821 19.784 423 H GLU 52 HN GLU 52 154.199 5.047 21.416 424 HA GLU 52 HA GLU 52 156.566 6.730 21.227 425 1HB GLU 52 HB2 GLU 52 155.927 4.285 22.562 426 2HB GLU 52 HB1 GLU 52 157.303 4.011 21.503 427 1HG GLU 52 HG2 GLU 52 157.829 6.433 22.784 428 2HG GLU 52 HG1 GLU 52 157.173 5.373 24.031 429 H ILE 53 HN ILE 53 154.720 4.603 19.312 430 HA ILE 53 HA ILE 53 156.548 4.996 17.108 431 HB ILE 53 HB ILE 53 157.474 2.969 17.722 432 1HG1 ILE 53 HG12 ILE 53 155.309 1.915 15.920 433 2HG1 ILE 53 HG11 ILE 53 156.493 3.076 15.331 434 1HG2 ILE 53 HG21 ILE 53 155.104 2.556 19.117 435 2HG2 ILE 53 HG22 ILE 53 156.541 1.535 19.118 436 3HG2 ILE 53 HG23 ILE 53 155.226 1.203 17.994 437 1HD1 ILE 53 HD11 ILE 53 158.217 1.378 16.282 438 2HD1 ILE 53 HD12 ILE 53 157.436 1.075 14.729 439 3HD1 ILE 53 HD13 ILE 53 156.868 0.246 16.178 440 H LYS 54 HN LYS 54 154.032 2.603 17.236 441 HA LYS 54 HA LYS 54 152.018 2.397 16.192 442 1HB LYS 54 HB2 LYS 54 151.863 4.829 17.287 443 2HB LYS 54 HB1 LYS 54 151.822 5.300 15.594 444 1HG LYS 54 HG2 LYS 54 149.667 4.828 15.516 445 2HG LYS 54 HG1 LYS 54 150.019 3.146 15.918 446 1HD LYS 54 HD2 LYS 54 148.545 3.810 17.599 447 2HD LYS 54 HD1 LYS 54 150.131 3.980 18.355 448 1HE LYS 54 HE2 LYS 54 148.583 6.221 17.058 449 2HE LYS 54 HE1 LYS 54 148.631 5.899 18.791 450 1HZ LYS 54 HZ1 LYS 54 150.859 6.758 17.040 451 2HZ LYS 54 HZ2 LYS 54 151.111 6.146 18.597 452 3HZ LYS 54 HZ3 LYS 54 150.218 7.565 18.382 453 H GLY 55 HN GLY 55 153.691 1.513 14.599 454 1HA GLY 55 HA2 GLY 55 153.777 3.119 12.140 455 2HA GLY 55 HA1 GLY 55 154.767 1.707 12.470 456 H TYR 56 HN TYR 56 152.240 2.819 10.680 457 HA TYR 56 HA TYR 56 151.072 0.130 10.464 458 1HB TYR 56 HB2 TYR 56 149.047 1.269 9.537 459 2HB TYR 56 HB1 TYR 56 149.388 1.659 11.219 460 HD1 TYR 56 HD1 TYR 56 150.508 3.869 11.742 461 HD2 TYR 56 HD2 TYR 56 148.902 2.966 7.907 462 HE1 TYR 56 HE1 TYR 56 150.455 6.266 11.206 463 HE2 TYR 56 HE2 TYR 56 148.847 5.363 7.361 464 HH TYR 56 HH TYR 56 150.408 7.726 9.289 465 H GLU 57 HN GLU 57 151.747 -0.925 8.755 466 HA GLU 57 HA GLU 57 152.525 0.574 6.354 467 1HB GLU 57 HB2 GLU 57 153.108 -2.290 7.130 468 2HB GLU 57 HB1 GLU 57 153.685 -1.492 5.674 469 1HG GLU 57 HG2 GLU 57 154.845 0.161 7.163 470 2HG GLU 57 HG1 GLU 57 154.422 -0.880 8.522 471 H TYR 58 HN TYR 58 150.900 0.822 4.990 472 HA TYR 58 HA TYR 58 148.741 -1.074 4.802 473 1HB TYR 58 HB2 TYR 58 149.154 1.646 4.129 474 2HB TYR 58 HB1 TYR 58 148.755 0.813 2.632 475 HD1 TYR 58 HD1 TYR 58 147.487 2.190 5.689 476 HD2 TYR 58 HD2 TYR 58 146.616 -0.559 2.561 477 HE1 TYR 58 HE1 TYR 58 145.105 2.267 6.293 478 HE2 TYR 58 HE2 TYR 58 144.231 -0.485 3.154 479 HH TYR 58 HH TYR 58 142.654 0.800 4.310 480 H GLN 59 HN GLN 59 148.318 -2.504 3.176 481 HA GLN 59 HA GLN 59 150.273 -2.723 0.991 482 1HB GLN 59 HB2 GLN 59 149.945 -4.546 3.164 483 2HB GLN 59 HB1 GLN 59 149.384 -5.338 1.699 484 1HG GLN 59 HG2 GLN 59 151.519 -4.854 0.618 485 2HG GLN 59 HG1 GLN 59 152.081 -4.061 2.090 486 1HE2 GLN 59 HE21 GLN 59 153.600 -5.329 2.900 487 2HE2 GLN 59 HE22 GLN 59 153.452 -7.027 3.187 488 H LEU 60 HN LEU 60 149.052 -2.243 -0.762 489 HA LEU 60 HA LEU 60 146.514 -3.648 -1.025 490 1HB LEU 60 HB2 LEU 60 146.915 -0.896 -0.982 491 2HB LEU 60 HB1 LEU 60 146.649 -1.281 -2.668 492 HG LEU 60 HG LEU 60 144.537 -0.710 -1.742 493 1HD1 LEU 60 HD11 LEU 60 143.248 -2.587 -2.261 494 2HD1 LEU 60 HD12 LEU 60 144.507 -3.704 -1.737 495 3HD1 LEU 60 HD13 LEU 60 144.722 -2.767 -3.213 496 1HD2 LEU 60 HD21 LEU 60 145.590 -1.721 0.638 497 2HD2 LEU 60 HD22 LEU 60 144.217 -2.761 0.256 498 3HD2 LEU 60 HD23 LEU 60 143.993 -1.017 0.390 499 H TYR 61 HN TYR 61 145.992 -4.577 -2.976 500 HA TYR 61 HA TYR 61 148.202 -4.716 -4.916 501 1HB TYR 61 HB2 TYR 61 146.196 -6.673 -3.933 502 2HB TYR 61 HB1 TYR 61 146.656 -6.792 -5.628 503 HD1 TYR 61 HD1 TYR 61 147.641 -7.410 -2.209 504 HD2 TYR 61 HD2 TYR 61 149.057 -7.196 -6.215 505 HE1 TYR 61 HE1 TYR 61 149.654 -8.660 -1.557 506 HE2 TYR 61 HE2 TYR 61 151.075 -8.447 -5.574 507 HH TYR 61 HH TYR 61 151.365 -10.078 -2.618 508 H VAL 62 HN VAL 62 147.610 -2.837 -6.035 509 HA VAL 62 HA VAL 62 144.978 -2.425 -7.029 510 HB VAL 62 HB VAL 62 146.287 -0.482 -6.695 511 1HG1 VAL 62 HG11 VAL 62 148.505 -1.054 -6.727 512 2HG1 VAL 62 HG12 VAL 62 148.367 -0.197 -8.263 513 3HG1 VAL 62 HG13 VAL 62 148.362 -1.959 -8.232 514 1HG2 VAL 62 HG21 VAL 62 145.779 0.655 -8.595 515 2HG2 VAL 62 HG22 VAL 62 144.918 -0.843 -8.951 516 3HG2 VAL 62 HG23 VAL 62 146.513 -0.555 -9.648 517 H TYR 63 HN TYR 63 144.212 -4.017 -8.321 518 HA TYR 63 HA TYR 63 145.839 -5.052 -10.497 519 1HB TYR 63 HB2 TYR 63 144.299 -6.509 -9.133 520 2HB TYR 63 HB1 TYR 63 142.944 -5.678 -9.886 521 HD1 TYR 63 HD1 TYR 63 145.575 -8.150 -10.333 522 HD2 TYR 63 HD2 TYR 63 142.480 -5.981 -12.286 523 HE1 TYR 63 HE1 TYR 63 145.663 -9.730 -12.217 524 HE2 TYR 63 HE2 TYR 63 142.561 -7.552 -14.174 525 HH TYR 63 HH TYR 63 144.930 -9.423 -14.912 526 H ALA 64 HN ALA 64 146.045 -2.986 -11.585 527 HA ALA 64 HA ALA 64 143.708 -1.726 -12.676 528 1HB ALA 64 HB1 ALA 64 145.120 -0.021 -12.780 529 2HB ALA 64 HB2 ALA 64 145.997 -0.846 -14.068 530 3HB ALA 64 HB3 ALA 64 146.473 -1.080 -12.386 531 H SER 65 HN SER 65 143.871 -1.177 -15.146 532 HA SER 65 HA SER 65 143.328 -3.557 -16.544 533 1HB SER 65 HB2 SER 65 143.126 -2.138 -18.526 534 2HB SER 65 HB1 SER 65 142.347 -1.368 -17.144 535 HG SER 65 HG SER 65 144.006 0.055 -16.991 536 H ASP 66 HN ASP 66 146.186 -1.486 -16.436 537 HA ASP 66 HA ASP 66 147.618 -2.613 -18.512 538 1HB ASP 66 HB2 ASP 66 148.095 -0.589 -16.815 539 2HB ASP 66 HB1 ASP 66 149.163 -1.807 -16.126 540 H LYS 67 HN LYS 67 147.311 -3.603 -15.207 541 HA LYS 67 HA LYS 67 147.626 -6.292 -15.527 542 1HB LYS 67 HB2 LYS 67 150.198 -4.887 -15.631 543 2HB LYS 67 HB1 LYS 67 150.151 -6.185 -14.447 544 1HG LYS 67 HG2 LYS 67 148.980 -7.290 -16.695 545 2HG LYS 67 HG1 LYS 67 150.298 -6.305 -17.333 546 1HD LYS 67 HD2 LYS 67 151.841 -7.743 -16.598 547 2HD LYS 67 HD1 LYS 67 151.117 -7.807 -14.992 548 1HE LYS 67 HE2 LYS 67 150.493 -9.891 -15.452 549 2HE LYS 67 HE1 LYS 67 149.359 -9.223 -16.625 550 1HZ LYS 67 HZ1 LYS 67 152.150 -9.642 -17.428 551 2HZ LYS 67 HZ2 LYS 67 150.744 -9.690 -18.367 552 3HZ LYS 67 HZ3 LYS 67 151.120 -10.981 -17.340 553 H LEU 68 HN LEU 68 148.895 -7.231 -13.364 554 HA LEU 68 HA LEU 68 147.307 -6.152 -11.194 555 1HB LEU 68 HB2 LEU 68 148.208 -8.113 -9.935 556 2HB LEU 68 HB1 LEU 68 147.315 -8.527 -11.386 557 HG LEU 68 HG LEU 68 150.222 -8.262 -11.765 558 1HD1 LEU 68 HD11 LEU 68 149.067 -10.092 -9.749 559 2HD1 LEU 68 HD12 LEU 68 150.677 -9.378 -9.848 560 3HD1 LEU 68 HD13 LEU 68 150.265 -10.766 -10.854 561 1HD2 LEU 68 HD21 LEU 68 148.286 -9.147 -13.313 562 2HD2 LEU 68 HD22 LEU 68 148.599 -10.658 -12.458 563 3HD2 LEU 68 HD23 LEU 68 149.895 -9.871 -13.359 564 H PHE 69 HN PHE 69 148.153 -4.337 -10.327 565 HA PHE 69 HA PHE 69 151.021 -4.309 -9.691 566 1HB PHE 69 HB2 PHE 69 149.007 -2.171 -10.241 567 2HB PHE 69 HB1 PHE 69 150.379 -1.791 -9.204 568 HD1 PHE 69 HD1 PHE 69 149.650 -3.391 -12.494 569 HD2 PHE 69 HD2 PHE 69 152.287 -0.977 -10.186 570 HE1 PHE 69 HE1 PHE 69 151.045 -3.017 -14.486 571 HE2 PHE 69 HE2 PHE 69 153.686 -0.597 -12.174 572 HZ PHE 69 HZ PHE 69 153.065 -1.618 -14.328 573 H ARG 70 HN ARG 70 151.459 -2.893 -7.642 574 HA ARG 70 HA ARG 70 149.537 -3.151 -5.554 575 1HB ARG 70 HB2 ARG 70 150.452 -5.410 -5.564 576 2HB ARG 70 HB1 ARG 70 152.084 -4.767 -5.466 577 1HG ARG 70 HG2 ARG 70 151.129 -3.650 -3.269 578 2HG ARG 70 HG1 ARG 70 150.006 -5.006 -3.364 579 1HD ARG 70 HD2 ARG 70 151.915 -5.604 -1.999 580 2HD ARG 70 HD1 ARG 70 151.911 -6.555 -3.484 581 HE ARG 70 HE ARG 70 153.501 -4.461 -4.104 582 1HH1 ARG 70 HH11 ARG 70 153.477 -6.724 -1.447 583 2HH1 ARG 70 HH12 ARG 70 155.191 -6.658 -1.213 584 1HH2 ARG 70 HH21 ARG 70 155.755 -4.372 -3.797 585 2HH2 ARG 70 HH22 ARG 70 156.485 -5.323 -2.546 586 H ALA 71 HN ALA 71 149.865 -1.674 -3.954 587 HA ALA 71 HA ALA 71 152.414 -0.201 -4.023 588 1HB ALA 71 HB1 ALA 71 149.612 0.861 -3.767 589 2HB ALA 71 HB2 ALA 71 150.828 1.265 -4.981 590 3HB ALA 71 HB3 ALA 71 151.031 1.806 -3.313 591 H ASP 72 HN ASP 72 152.950 0.936 -1.935 592 HA ASP 72 HA ASP 72 151.605 -0.311 0.362 593 1HB ASP 72 HB2 ASP 72 154.192 -1.078 -0.600 594 2HB ASP 72 HB1 ASP 72 154.381 -0.314 0.973 595 H ILE 73 HN ILE 73 151.463 0.959 2.122 596 HA ILE 73 HA ILE 73 152.913 3.526 2.087 597 HB ILE 73 HB ILE 73 150.123 3.028 3.141 598 1HG1 ILE 73 HG12 ILE 73 149.737 4.881 1.292 599 2HG1 ILE 73 HG11 ILE 73 151.202 4.180 0.609 600 1HG2 ILE 73 HG21 ILE 73 150.752 4.722 4.508 601 2HG2 ILE 73 HG22 ILE 73 150.345 5.694 3.095 602 3HG2 ILE 73 HG23 ILE 73 152.026 5.273 3.421 603 1HD1 ILE 73 HD11 ILE 73 149.627 2.938 -0.451 604 2HD1 ILE 73 HD12 ILE 73 148.495 3.019 0.900 605 3HD1 ILE 73 HD13 ILE 73 149.885 1.936 0.976 606 H SER 74 HN SER 74 154.484 3.262 3.547 607 HA SER 74 HA SER 74 153.825 1.950 6.090 608 1HB SER 74 HB2 SER 74 156.379 1.948 6.358 609 2HB SER 74 HB1 SER 74 155.702 0.877 5.131 610 HG SER 74 HG SER 74 156.589 3.492 4.525 611 H GLU 75 HN GLU 75 153.914 3.021 7.981 612 HA GLU 75 HA GLU 75 155.133 5.670 8.085 613 1HB GLU 75 HB2 GLU 75 152.427 5.343 9.312 614 2HB GLU 75 HB1 GLU 75 153.236 6.811 8.786 615 1HG GLU 75 HG2 GLU 75 152.931 5.593 6.416 616 2HG GLU 75 HG1 GLU 75 151.548 4.922 7.277 617 H ASP 76 HN ASP 76 156.662 4.210 9.292 618 HA ASP 76 HA ASP 76 155.631 3.628 11.951 619 1HB ASP 76 HB2 ASP 76 158.008 2.374 10.604 620 2HB ASP 76 HB1 ASP 76 157.329 1.911 12.158 621 H TYR 77 HN TYR 77 157.737 3.288 13.449 622 HA TYR 77 HA TYR 77 159.425 5.672 13.247 623 1HB TYR 77 HB2 TYR 77 157.558 4.933 15.475 624 2HB TYR 77 HB1 TYR 77 159.043 5.804 15.840 625 HD1 TYR 77 HD1 TYR 77 159.043 8.122 15.745 626 HD2 TYR 77 HD2 TYR 77 156.053 5.973 13.617 627 HE1 TYR 77 HE1 TYR 77 157.937 10.243 15.170 628 HE2 TYR 77 HE2 TYR 77 154.939 8.086 13.033 629 HH TYR 77 HH TYR 77 155.747 11.057 14.508 630 H LYS 78 HN LYS 78 161.244 5.557 14.878 631 HA LYS 78 HA LYS 78 162.951 4.472 15.952 632 1HB LYS 78 HB2 LYS 78 160.858 2.861 16.602 633 2HB LYS 78 HB1 LYS 78 161.840 1.744 15.665 634 1HG LYS 78 HG2 LYS 78 163.700 2.036 17.136 635 2HG LYS 78 HG1 LYS 78 162.881 3.347 17.989 636 1HD LYS 78 HD2 LYS 78 161.225 1.827 18.844 637 2HD LYS 78 HD1 LYS 78 161.875 0.506 17.870 638 1HE LYS 78 HE2 LYS 78 164.080 1.304 19.253 639 2HE LYS 78 HE1 LYS 78 162.800 1.603 20.429 640 1HZ LYS 78 HZ1 LYS 78 162.732 -0.954 19.033 641 2HZ LYS 78 HZ2 LYS 78 162.356 -0.588 20.641 642 3HZ LYS 78 HZ3 LYS 78 163.971 -0.742 20.165 643 H THR 79 HN THR 79 163.693 5.146 13.745 644 HA THR 79 HA THR 79 165.187 4.708 12.059 645 HB THR 79 HB THR 79 164.884 1.743 12.391 646 HG1 THR 79 HG1 THR 79 166.193 3.502 14.171 647 1HG2 THR 79 HG21 THR 79 167.570 2.679 12.309 648 2HG2 THR 79 HG22 THR 79 166.658 3.414 10.991 649 3HG2 THR 79 HG23 THR 79 166.708 1.658 11.157 650 H ARG 80 HN ARG 80 162.251 4.752 11.956 651 HA ARG 80 HA ARG 80 161.744 3.280 9.514 652 1HB ARG 80 HB2 ARG 80 159.793 4.367 11.514 653 2HB ARG 80 HB1 ARG 80 159.384 3.440 10.077 654 1HG ARG 80 HG2 ARG 80 161.045 2.418 12.373 655 2HG ARG 80 HG1 ARG 80 159.325 2.101 12.148 656 1HD ARG 80 HD2 ARG 80 161.397 1.401 10.085 657 2HD ARG 80 HD1 ARG 80 160.920 0.294 11.368 658 HE ARG 80 HE ARG 80 158.714 0.237 10.426 659 1HH1 ARG 80 HH11 ARG 80 161.117 1.791 8.411 660 2HH1 ARG 80 HH12 ARG 80 160.201 1.587 6.960 661 1HH2 ARG 80 HH21 ARG 80 157.523 -0.025 8.511 662 2HH2 ARG 80 HH22 ARG 80 158.167 0.560 7.014 663 H GLY 81 HN GLY 81 159.760 4.454 8.402 664 1HA GLY 81 HA2 GLY 81 160.462 7.307 8.132 665 2HA GLY 81 HA1 GLY 81 160.188 6.286 6.723 666 H ARG 82 HN ARG 82 158.361 7.165 5.884 667 HA ARG 82 HA ARG 82 155.907 6.424 6.778 668 1HB ARG 82 HB2 ARG 82 155.951 7.690 8.740 669 2HB ARG 82 HB1 ARG 82 156.760 9.042 7.962 670 1HG ARG 82 HG2 ARG 82 154.695 9.576 6.757 671 2HG ARG 82 HG1 ARG 82 153.889 8.223 7.551 672 1HD ARG 82 HD2 ARG 82 153.512 9.424 9.389 673 2HD ARG 82 HD1 ARG 82 155.194 9.944 9.471 674 HE ARG 82 HE ARG 82 154.611 11.916 8.455 675 1HH1 ARG 82 HH11 ARG 82 151.964 9.659 8.179 676 2HH1 ARG 82 HH12 ARG 82 150.850 10.845 7.587 677 1HH2 ARG 82 HH21 ARG 82 153.147 13.477 7.676 678 2HH2 ARG 82 HH22 ARG 82 151.522 13.012 7.300 679 H LYS 83 HN LYS 83 155.028 6.324 4.797 680 HA LYS 83 HA LYS 83 154.068 8.470 3.399 681 1HB LYS 83 HB2 LYS 83 155.771 8.484 1.438 682 2HB LYS 83 HB1 LYS 83 156.098 9.444 2.874 683 1HG LYS 83 HG2 LYS 83 157.904 8.233 3.427 684 2HG LYS 83 HG1 LYS 83 157.152 6.707 2.960 685 1HD LYS 83 HD2 LYS 83 158.617 6.770 1.254 686 2HD LYS 83 HD1 LYS 83 157.467 7.901 0.541 687 1HE LYS 83 HE2 LYS 83 158.871 9.631 0.754 688 2HE LYS 83 HE1 LYS 83 159.337 9.165 2.389 689 1HZ LYS 83 HZ1 LYS 83 160.350 7.645 0.081 690 2HZ LYS 83 HZ2 LYS 83 161.029 7.828 1.618 691 3HZ LYS 83 HZ3 LYS 83 161.083 9.107 0.513 692 H LEU 84 HN LEU 84 153.651 8.059 1.042 693 HA LEU 84 HA LEU 84 153.046 5.207 0.630 694 1HB LEU 84 HB2 LEU 84 151.540 6.409 -1.235 695 2HB LEU 84 HB1 LEU 84 150.980 6.131 0.401 696 HG LEU 84 HG LEU 84 152.284 8.720 -0.392 697 1HD1 LEU 84 HD11 LEU 84 149.647 9.316 -0.299 698 2HD1 LEU 84 HD12 LEU 84 149.600 7.718 -1.044 699 3HD1 LEU 84 HD13 LEU 84 150.545 9.010 -1.785 700 1HD2 LEU 84 HD21 LEU 84 150.373 9.161 1.544 701 2HD2 LEU 84 HD22 LEU 84 152.108 9.008 1.818 702 3HD2 LEU 84 HD23 LEU 84 151.059 7.603 2.003 703 H LEU 85 HN LEU 85 154.007 4.167 -1.079 704 HA LEU 85 HA LEU 85 155.093 5.734 -3.275 705 1HB LEU 85 HB2 LEU 85 157.333 4.391 -2.791 706 2HB LEU 85 HB1 LEU 85 157.018 5.983 -2.124 707 HG LEU 85 HG LEU 85 156.272 3.518 -0.576 708 1HD1 LEU 85 HD11 LEU 85 158.556 3.100 -1.046 709 2HD1 LEU 85 HD12 LEU 85 158.509 3.807 0.569 710 3HD1 LEU 85 HD13 LEU 85 158.993 4.792 -0.811 711 1HD2 LEU 85 HD21 LEU 85 155.493 5.171 0.719 712 2HD2 LEU 85 HD22 LEU 85 156.427 6.407 -0.122 713 3HD2 LEU 85 HD23 LEU 85 157.180 5.443 1.149 714 H ARG 86 HN ARG 86 155.900 2.517 -1.985 715 HA ARG 86 HA ARG 86 156.385 1.001 -4.025 716 1HB ARG 86 HB2 ARG 86 154.788 0.503 -1.620 717 2HB ARG 86 HB1 ARG 86 154.496 -0.646 -2.918 718 1HG ARG 86 HG2 ARG 86 157.229 -0.481 -2.879 719 2HG ARG 86 HG1 ARG 86 156.808 -0.331 -1.172 720 1HD ARG 86 HD2 ARG 86 155.426 -2.377 -1.382 721 2HD ARG 86 HD1 ARG 86 155.974 -2.541 -3.050 722 HE ARG 86 HE ARG 86 157.908 -3.446 -2.256 723 1HH1 ARG 86 HH11 ARG 86 156.439 -1.593 0.310 724 2HH1 ARG 86 HH12 ARG 86 157.612 -2.066 1.493 725 1HH2 ARG 86 HH21 ARG 86 159.451 -4.071 -0.701 726 2HH2 ARG 86 HH22 ARG 86 159.322 -3.473 0.919 727 H PHE 87 HN PHE 87 155.590 0.217 -5.874 728 HA PHE 87 HA PHE 87 152.797 0.165 -6.496 729 1HB PHE 87 HB2 PHE 87 153.974 2.613 -6.879 730 2HB PHE 87 HB1 PHE 87 154.157 1.873 -8.465 731 HD1 PHE 87 HD1 PHE 87 152.056 0.898 -9.556 732 HD2 PHE 87 HD2 PHE 87 151.968 3.579 -6.252 733 HE1 PHE 87 HE1 PHE 87 149.722 1.469 -10.085 734 HE2 PHE 87 HE2 PHE 87 149.637 4.152 -6.777 735 HZ PHE 87 HZ PHE 87 148.510 3.098 -8.692 736 H ASN 88 HN ASN 88 154.410 -1.938 -6.492 737 HA ASN 88 HA ASN 88 154.941 -2.448 -9.344 738 1HB ASN 88 HB2 ASN 88 156.753 -2.624 -7.115 739 2HB ASN 88 HB1 ASN 88 156.534 -4.219 -7.827 740 1HD2 ASN 88 HD21 ASN 88 157.809 -4.702 -9.453 741 2HD2 ASN 88 HD22 ASN 88 158.621 -3.577 -10.482 742 H GLY 89 HN GLY 89 154.678 -4.656 -10.035 743 1HA GLY 89 HA2 GLY 89 153.562 -6.653 -8.354 744 2HA GLY 89 HA1 GLY 89 152.291 -5.829 -9.243 745 HA PRO 90 HA PRO 90 154.878 -7.744 -12.790 746 1HB PRO 90 HB2 PRO 90 157.212 -8.999 -12.189 747 2HB PRO 90 HB1 PRO 90 157.113 -7.272 -12.553 748 1HG PRO 90 HG2 PRO 90 157.254 -8.642 -9.895 749 2HG PRO 90 HG1 PRO 90 158.107 -7.189 -10.452 750 1HD PRO 90 HD2 PRO 90 155.909 -7.067 -8.881 751 2HD PRO 90 HD1 PRO 90 156.280 -5.826 -10.096 752 H VAL 91 HN VAL 91 155.116 -9.473 -9.718 753 HA VAL 91 HA VAL 91 153.703 -11.728 -10.900 754 HB VAL 91 HB VAL 91 155.302 -13.341 -9.795 755 1HG1 VAL 91 HG11 VAL 91 156.341 -13.651 -11.773 756 2HG1 VAL 91 HG12 VAL 91 156.901 -11.980 -11.864 757 3HG1 VAL 91 HG13 VAL 91 155.242 -12.382 -12.311 758 1HG2 VAL 91 HG21 VAL 91 157.658 -12.437 -9.574 759 2HG2 VAL 91 HG22 VAL 91 156.518 -11.958 -8.314 760 3HG2 VAL 91 HG23 VAL 91 156.940 -10.826 -9.599 Start of MODEL 10 1 1H GLY 1 HT1 GLY 1 153.715 -7.132 11.911 2 2H GLY 1 HT2 GLY 1 152.194 -7.866 11.826 3 3H GLY 1 HT3 GLY 1 153.246 -8.246 13.096 4 1HA GLY 1 HA1 GLY 1 153.047 -6.086 14.039 5 2HA GLY 1 HA2 GLY 1 152.145 -5.532 12.636 6 H GLU 2 HN GLU 2 150.266 -4.960 13.624 7 HA GLU 2 HA GLU 2 148.761 -7.139 14.915 8 1HB GLU 2 HB2 GLU 2 149.137 -4.297 15.745 9 2HB GLU 2 HB1 GLU 2 147.590 -5.066 16.074 10 1HG GLU 2 HG2 GLU 2 149.374 -6.941 16.959 11 2HG GLU 2 HG1 GLU 2 150.180 -5.426 17.362 12 H TRP 3 HN TRP 3 146.308 -6.206 15.085 13 HA TRP 3 HA TRP 3 144.375 -5.768 13.966 14 1HB TRP 3 HB2 TRP 3 146.192 -4.153 12.172 15 2HB TRP 3 HB1 TRP 3 144.437 -4.143 12.080 16 HD1 TRP 3 HD1 TRP 3 145.652 -1.421 12.560 17 HE1 TRP 3 HE1 TRP 3 145.415 -0.159 14.786 18 HE3 TRP 3 HE3 TRP 3 144.650 -5.382 15.665 19 HZ2 TRP 3 HZ2 TRP 3 144.879 -0.750 17.485 20 HZ3 TRP 3 HZ3 TRP 3 144.290 -4.934 18.050 21 HH2 TRP 3 HH2 TRP 3 144.403 -2.665 18.942 22 H GLU 4 HN GLU 4 146.696 -5.920 11.260 23 HA GLU 4 HA GLU 4 146.863 -7.335 9.484 24 1HB GLU 4 HB2 GLU 4 145.832 -9.021 11.634 25 2HB GLU 4 HB1 GLU 4 145.336 -9.582 10.045 26 1HG GLU 4 HG2 GLU 4 147.712 -9.538 9.344 27 2HG GLU 4 HG1 GLU 4 148.151 -9.122 11.001 28 H ILE 5 HN ILE 5 145.296 -8.794 7.999 29 HA ILE 5 HA ILE 5 143.552 -7.120 6.732 30 HB ILE 5 HB ILE 5 144.341 -9.248 5.782 31 1HG1 ILE 5 HG12 ILE 5 142.067 -9.962 4.814 32 2HG1 ILE 5 HG11 ILE 5 141.378 -8.703 5.834 33 1HG2 ILE 5 HG21 ILE 5 142.205 -10.838 7.030 34 2HG2 ILE 5 HG22 ILE 5 143.543 -10.397 8.092 35 3HG2 ILE 5 HG23 ILE 5 143.856 -11.286 6.600 36 1HD1 ILE 5 HD11 ILE 5 142.244 -8.366 3.279 37 2HD1 ILE 5 HD12 ILE 5 143.636 -7.813 4.210 38 3HD1 ILE 5 HD13 ILE 5 142.054 -7.075 4.466 39 H ILE 6 HN ILE 6 141.521 -6.405 7.029 40 HA ILE 6 HA ILE 6 139.913 -7.680 9.146 41 HB ILE 6 HB ILE 6 138.918 -5.369 9.507 42 1HG1 ILE 6 HG12 ILE 6 141.444 -4.564 8.044 43 2HG1 ILE 6 HG11 ILE 6 139.799 -4.323 7.466 44 1HG2 ILE 6 HG21 ILE 6 141.517 -6.415 10.378 45 2HG2 ILE 6 HG22 ILE 6 140.135 -5.868 11.326 46 3HG2 ILE 6 HG23 ILE 6 141.273 -4.694 10.669 47 1HD1 ILE 6 HD11 ILE 6 141.052 -2.355 8.550 48 2HD1 ILE 6 HD12 ILE 6 140.671 -3.159 10.074 49 3HD1 ILE 6 HD13 ILE 6 139.371 -2.647 8.998 50 H GLU 7 HN GLU 7 139.823 -5.785 6.148 51 HA GLU 7 HA GLU 7 137.252 -7.056 5.527 52 1HB GLU 7 HB2 GLU 7 137.765 -4.155 4.904 53 2HB GLU 7 HB1 GLU 7 136.245 -5.033 4.818 54 1HG GLU 7 HG2 GLU 7 136.535 -5.340 7.359 55 2HG GLU 7 HG1 GLU 7 137.710 -4.032 7.224 56 H ILE 8 HN ILE 8 136.664 -6.673 3.163 57 HA ILE 8 HA ILE 8 139.091 -6.673 1.495 58 HB ILE 8 HB ILE 8 136.718 -8.484 1.050 59 1HG1 ILE 8 HG12 ILE 8 139.314 -9.681 1.762 60 2HG1 ILE 8 HG11 ILE 8 138.540 -8.788 3.067 61 1HG2 ILE 8 HG21 ILE 8 138.749 -9.583 -0.324 62 2HG2 ILE 8 HG22 ILE 8 139.196 -7.880 -0.430 63 3HG2 ILE 8 HG23 ILE 8 137.622 -8.416 -1.017 64 1HD1 ILE 8 HD11 ILE 8 138.010 -11.406 2.183 65 2HD1 ILE 8 HD12 ILE 8 136.591 -10.429 1.804 66 3HD1 ILE 8 HD13 ILE 8 137.199 -10.497 3.459 67 H GLY 9 HN GLY 9 136.364 -5.020 2.129 68 1HA GLY 9 HA2 GLY 9 135.673 -4.499 -0.677 69 2HA GLY 9 HA1 GLY 9 134.727 -4.012 0.721 70 HA PRO 10 HA PRO 10 136.370 0.061 0.300 71 1HB PRO 10 HB2 PRO 10 136.369 0.858 2.923 72 2HB PRO 10 HB1 PRO 10 134.926 0.814 1.906 73 1HG PRO 10 HG2 PRO 10 135.883 -1.173 3.926 74 2HG PRO 10 HG1 PRO 10 134.237 -0.590 3.621 75 1HD PRO 10 HD2 PRO 10 135.088 -2.978 2.719 76 2HD PRO 10 HD1 PRO 10 133.947 -1.979 1.794 77 H PHE 11 HN PHE 11 137.758 -2.062 2.744 78 HA PHE 11 HA PHE 11 140.056 -0.663 3.370 79 1HB PHE 11 HB2 PHE 11 139.449 -2.575 4.667 80 2HB PHE 11 HB1 PHE 11 139.511 -3.627 3.260 81 HD1 PHE 11 HD1 PHE 11 141.615 -1.548 5.494 82 HD2 PHE 11 HD2 PHE 11 141.474 -4.749 2.694 83 HE1 PHE 11 HE1 PHE 11 143.952 -2.107 6.022 84 HE2 PHE 11 HE2 PHE 11 143.810 -5.316 3.217 85 HZ PHE 11 HZ PHE 11 145.052 -3.995 4.882 86 H THR 12 HN THR 12 139.234 -2.319 0.458 87 HA THR 12 HA THR 12 142.006 -2.438 -0.434 88 HB THR 12 HB THR 12 140.268 -3.173 -2.536 89 HG1 THR 12 HG1 THR 12 138.553 -3.729 -1.456 90 1HG2 THR 12 HG21 THR 12 141.352 -5.174 -2.502 91 2HG2 THR 12 HG22 THR 12 141.414 -5.238 -0.741 92 3HG2 THR 12 HG23 THR 12 142.509 -4.174 -1.624 93 H GLN 13 HN GLN 13 138.965 -1.228 -1.868 94 HA GLN 13 HA GLN 13 140.027 0.285 -3.894 95 1HB GLN 13 HB2 GLN 13 137.972 1.734 -3.648 96 2HB GLN 13 HB1 GLN 13 137.670 0.008 -3.800 97 1HG GLN 13 HG2 GLN 13 137.270 -0.186 -1.443 98 2HG GLN 13 HG1 GLN 13 137.734 1.496 -1.187 99 1HE2 GLN 13 HE21 GLN 13 135.178 -0.488 -1.344 100 2HE2 GLN 13 HE22 GLN 13 133.956 0.616 -1.865 101 H ASN 14 HN ASN 14 139.967 0.996 -0.491 102 HA ASN 14 HA ASN 14 140.356 3.728 -0.475 103 1HB ASN 14 HB2 ASN 14 140.636 1.558 1.383 104 2HB ASN 14 HB1 ASN 14 142.006 2.648 1.561 105 1HD2 ASN 14 HD21 ASN 14 141.616 4.828 2.104 106 2HD2 ASN 14 HD22 ASN 14 140.147 5.304 2.879 107 H LEU 15 HN LEU 15 142.967 1.302 -0.184 108 HA LEU 15 HA LEU 15 145.089 3.046 -0.509 109 1HB LEU 15 HB2 LEU 15 144.982 0.440 -0.076 110 2HB LEU 15 HB1 LEU 15 145.244 0.365 -1.809 111 HG LEU 15 HG LEU 15 147.347 0.168 -0.565 112 1HD1 LEU 15 HD11 LEU 15 148.579 1.481 -1.984 113 2HD1 LEU 15 HD12 LEU 15 147.482 2.855 -1.840 114 3HD1 LEU 15 HD13 LEU 15 147.024 1.460 -2.818 115 1HD2 LEU 15 HD21 LEU 15 147.335 2.998 0.254 116 2HD2 LEU 15 HD22 LEU 15 148.032 1.586 1.049 117 3HD2 LEU 15 HD23 LEU 15 146.305 1.918 1.194 118 H GLY 16 HN GLY 16 142.871 1.759 -2.854 119 1HA GLY 16 HA2 GLY 16 144.303 2.280 -5.216 120 2HA GLY 16 HA1 GLY 16 142.550 2.238 -5.078 121 H LYS 17 HN LYS 17 142.202 4.350 -3.240 122 HA LYS 17 HA LYS 17 142.147 6.568 -4.964 123 1HB LYS 17 HB2 LYS 17 141.115 5.962 -2.470 124 2HB LYS 17 HB1 LYS 17 142.250 7.260 -2.121 125 1HG LYS 17 HG2 LYS 17 140.931 8.806 -3.034 126 2HG LYS 17 HG1 LYS 17 140.581 7.804 -4.443 127 1HD LYS 17 HD2 LYS 17 138.511 7.654 -3.598 128 2HD LYS 17 HD1 LYS 17 139.211 6.512 -2.450 129 1HE LYS 17 HE2 LYS 17 138.449 7.889 -0.863 130 2HE LYS 17 HE1 LYS 17 139.786 8.946 -1.313 131 1HZ LYS 17 HZ1 LYS 17 136.975 9.094 -2.243 132 2HZ LYS 17 HZ2 LYS 17 138.231 9.970 -2.963 133 3HZ LYS 17 HZ3 LYS 17 137.830 10.244 -1.344 134 H PHE 18 HN PHE 18 144.287 5.853 -2.215 135 HA PHE 18 HA PHE 18 146.003 8.079 -2.728 136 1HB PHE 18 HB2 PHE 18 146.039 5.742 -0.866 137 2HB PHE 18 HB1 PHE 18 147.533 6.635 -1.126 138 HD1 PHE 18 HD1 PHE 18 147.007 9.341 -1.124 139 HD2 PHE 18 HD2 PHE 18 144.929 6.322 1.040 140 HE1 PHE 18 HE1 PHE 18 146.287 11.022 0.522 141 HE2 PHE 18 HE2 PHE 18 144.205 7.998 2.690 142 HZ PHE 18 HZ PHE 18 144.883 10.352 2.432 143 H ALA 19 HN ALA 19 145.625 5.093 -4.196 144 HA ALA 19 HA ALA 19 148.279 4.378 -4.798 145 1HB ALA 19 HB1 ALA 19 145.948 3.845 -6.618 146 2HB ALA 19 HB2 ALA 19 146.164 2.983 -5.095 147 3HB ALA 19 HB3 ALA 19 147.388 2.863 -6.357 148 H VAL 20 HN VAL 20 145.912 5.738 -7.089 149 HA VAL 20 HA VAL 20 147.909 6.595 -8.906 150 HB VAL 20 HB VAL 20 145.617 6.089 -9.620 151 1HG1 VAL 20 HG11 VAL 20 143.868 7.870 -9.237 152 2HG1 VAL 20 HG12 VAL 20 144.932 8.523 -7.991 153 3HG1 VAL 20 HG13 VAL 20 144.289 6.888 -7.835 154 1HG2 VAL 20 HG21 VAL 20 146.153 7.330 -11.382 155 2HG2 VAL 20 HG22 VAL 20 147.164 8.372 -10.382 156 3HG2 VAL 20 HG23 VAL 20 145.450 8.734 -10.581 157 H ASP 21 HN ASP 21 146.417 8.091 -6.141 158 HA ASP 21 HA ASP 21 147.115 10.777 -6.851 159 1HB ASP 21 HB2 ASP 21 145.955 9.417 -4.476 160 2HB ASP 21 HB1 ASP 21 146.726 10.979 -4.212 161 H GLU 22 HN GLU 22 148.647 8.218 -4.976 162 HA GLU 22 HA GLU 22 150.863 10.048 -4.374 163 1HB GLU 22 HB2 GLU 22 149.536 8.224 -2.757 164 2HB GLU 22 HB1 GLU 22 151.053 7.422 -3.139 165 1HG GLU 22 HG2 GLU 22 151.121 8.758 -1.065 166 2HG GLU 22 HG1 GLU 22 152.315 9.254 -2.261 167 H GLU 23 HN GLU 23 150.025 7.676 -6.581 168 HA GLU 23 HA GLU 23 152.334 6.143 -6.866 169 1HB GLU 23 HB2 GLU 23 150.337 5.596 -8.107 170 2HB GLU 23 HB1 GLU 23 150.385 7.135 -8.955 171 1HG GLU 23 HG2 GLU 23 152.502 6.437 -10.019 172 2HG GLU 23 HG1 GLU 23 152.348 4.870 -9.227 173 H ASN 24 HN ASN 24 151.767 9.468 -7.554 174 HA ASN 24 HA ASN 24 153.831 9.862 -9.461 175 1HB ASN 24 HB2 ASN 24 152.190 11.666 -7.713 176 2HB ASN 24 HB1 ASN 24 153.550 12.315 -8.623 177 1HD2 ASN 24 HD21 ASN 24 150.848 10.082 -9.191 178 2HD2 ASN 24 HD22 ASN 24 150.376 10.771 -10.703 179 H LYS 25 HN LYS 25 153.990 9.171 -6.165 180 HA LYS 25 HA LYS 25 156.253 10.787 -5.498 181 1HB LYS 25 HB2 LYS 25 154.694 8.636 -4.176 182 2HB LYS 25 HB1 LYS 25 156.346 8.864 -3.626 183 1HG LYS 25 HG2 LYS 25 155.625 11.383 -3.505 184 2HG LYS 25 HG1 LYS 25 154.006 10.685 -3.410 185 1HD LYS 25 HD2 LYS 25 154.574 10.798 -1.182 186 2HD LYS 25 HD1 LYS 25 155.096 9.160 -1.583 187 1HE LYS 25 HE2 LYS 25 157.027 11.410 -1.889 188 2HE LYS 25 HE1 LYS 25 156.674 10.803 -0.272 189 1HZ LYS 25 HZ1 LYS 25 157.168 8.523 -1.301 190 2HZ LYS 25 HZ2 LYS 25 158.473 9.540 -0.949 191 3HZ LYS 25 HZ3 LYS 25 157.923 9.393 -2.542 192 H ILE 26 HN ILE 26 156.413 7.307 -4.974 193 HA ILE 26 HA ILE 26 159.074 6.994 -5.497 194 HB ILE 26 HB ILE 26 157.624 5.255 -4.517 195 1HG1 ILE 26 HG12 ILE 26 158.630 3.332 -6.062 196 2HG1 ILE 26 HG11 ILE 26 159.546 4.685 -6.720 197 1HG2 ILE 26 HG21 ILE 26 156.634 5.016 -7.339 198 2HG2 ILE 26 HG22 ILE 26 155.705 5.238 -5.857 199 3HG2 ILE 26 HG23 ILE 26 156.495 3.695 -6.182 200 1HD1 ILE 26 HD11 ILE 26 160.992 4.275 -5.084 201 2HD1 ILE 26 HD12 ILE 26 159.838 3.279 -4.197 202 3HD1 ILE 26 HD13 ILE 26 159.812 5.033 -4.016 203 H GLY 27 HN GLY 27 156.474 7.211 -7.826 204 1HA GLY 27 HA2 GLY 27 158.262 6.469 -10.018 205 2HA GLY 27 HA1 GLY 27 156.531 6.739 -10.141 206 H GLN 28 HN GLN 28 158.394 7.805 -11.943 207 HA GLN 28 HA GLN 28 158.890 10.559 -11.253 208 1HB GLN 28 HB2 GLN 28 160.062 8.824 -13.002 209 2HB GLN 28 HB1 GLN 28 159.060 9.777 -14.089 210 1HG GLN 28 HG2 GLN 28 160.118 11.808 -13.371 211 2HG GLN 28 HG1 GLN 28 161.024 10.942 -12.131 212 1HE2 GLN 28 HE21 GLN 28 162.403 9.126 -13.006 213 2HE2 GLN 28 HE22 GLN 28 163.283 9.451 -14.455 214 H TYR 29 HN TYR 29 156.914 8.938 -13.744 215 HA TYR 29 HA TYR 29 155.136 11.290 -13.718 216 1HB TYR 29 HB2 TYR 29 156.575 10.374 -15.868 217 2HB TYR 29 HB1 TYR 29 155.020 9.583 -16.108 218 HD1 TYR 29 HD1 TYR 29 156.009 12.972 -14.873 219 HD2 TYR 29 HD2 TYR 29 153.796 10.701 -17.707 220 HE1 TYR 29 HE1 TYR 29 155.109 15.054 -15.826 221 HE2 TYR 29 HE2 TYR 29 152.889 12.775 -18.671 222 HH TYR 29 HH TYR 29 154.145 15.851 -17.923 223 H GLY 30 HN GLY 30 153.291 10.832 -12.720 224 1HA GLY 30 HA2 GLY 30 152.383 8.220 -12.168 225 2HA GLY 30 HA1 GLY 30 151.443 9.690 -11.979 226 H ARG 31 HN ARG 31 150.108 7.498 -12.733 227 HA ARG 31 HA ARG 31 149.135 8.245 -15.338 228 1HB ARG 31 HB2 ARG 31 151.113 6.441 -15.456 229 2HB ARG 31 HB1 ARG 31 149.769 5.349 -15.156 230 1HG ARG 31 HG2 ARG 31 148.918 7.117 -17.167 231 2HG ARG 31 HG1 ARG 31 150.557 6.621 -17.591 232 1HD ARG 31 HD2 ARG 31 149.781 4.241 -17.132 233 2HD ARG 31 HD1 ARG 31 148.142 4.891 -17.119 234 HE ARG 31 HE ARG 31 149.785 4.407 -19.407 235 1HH1 ARG 31 HH11 ARG 31 147.226 6.423 -18.155 236 2HH1 ARG 31 HH12 ARG 31 146.579 6.788 -19.718 237 1HH2 ARG 31 HH21 ARG 31 148.935 4.889 -21.465 238 2HH2 ARG 31 HH22 ARG 31 147.548 5.917 -21.597 239 H LEU 32 HN LEU 32 147.418 6.359 -15.972 240 HA LEU 32 HA LEU 32 145.500 6.446 -13.829 241 1HB LEU 32 HB2 LEU 32 145.266 6.516 -16.517 242 2HB LEU 32 HB1 LEU 32 144.940 4.818 -16.234 243 HG LEU 32 HG LEU 32 143.459 6.730 -14.528 244 1HD1 LEU 32 HD11 LEU 32 142.158 7.683 -16.105 245 2HD1 LEU 32 HD12 LEU 32 142.262 6.292 -17.187 246 3HD1 LEU 32 HD13 LEU 32 143.588 7.453 -17.111 247 1HD2 LEU 32 HD21 LEU 32 143.319 4.132 -14.696 248 2HD2 LEU 32 HD22 LEU 32 142.312 4.470 -16.104 249 3HD2 LEU 32 HD23 LEU 32 141.847 5.085 -14.518 250 H THR 33 HN THR 33 144.894 4.846 -12.492 251 HA THR 33 HA THR 33 145.589 2.087 -13.055 252 HB THR 33 HB THR 33 147.602 3.035 -11.938 253 HG1 THR 33 HG1 THR 33 147.821 1.332 -10.581 254 1HG2 THR 33 HG21 THR 33 145.678 4.145 -10.141 255 2HG2 THR 33 HG22 THR 33 147.416 4.428 -10.239 256 3HG2 THR 33 HG23 THR 33 146.792 3.097 -9.264 257 H PHE 34 HN PHE 34 143.117 3.537 -12.799 258 HA PHE 34 HA PHE 34 142.048 2.493 -10.269 259 1HB PHE 34 HB2 PHE 34 141.652 4.934 -11.649 260 2HB PHE 34 HB1 PHE 34 140.125 4.061 -11.702 261 HD1 PHE 34 HD1 PHE 34 139.238 3.138 -9.473 262 HD2 PHE 34 HD2 PHE 34 142.247 6.132 -9.761 263 HE1 PHE 34 HE1 PHE 34 138.755 3.837 -7.165 264 HE2 PHE 34 HE2 PHE 34 141.771 6.838 -7.452 265 HZ PHE 34 HZ PHE 34 140.023 5.690 -6.151 266 H ASN 35 HN ASN 35 142.591 0.898 -12.750 267 HA ASN 35 HA ASN 35 140.101 0.282 -13.969 268 1HB ASN 35 HB2 ASN 35 142.843 -0.710 -14.080 269 2HB ASN 35 HB1 ASN 35 141.653 -1.994 -14.251 270 1HD2 ASN 35 HD21 ASN 35 141.872 1.379 -15.338 271 2HD2 ASN 35 HD22 ASN 35 141.548 1.041 -17.001 272 H LYS 36 HN LYS 36 142.035 -1.489 -11.547 273 HA LYS 36 HA LYS 36 139.644 -2.328 -10.177 274 1HB LYS 36 HB2 LYS 36 141.165 -4.175 -11.944 275 2HB LYS 36 HB1 LYS 36 140.621 -4.808 -10.395 276 1HG LYS 36 HG2 LYS 36 138.324 -3.795 -11.124 277 2HG LYS 36 HG1 LYS 36 139.026 -3.901 -12.740 278 1HD LYS 36 HD2 LYS 36 138.218 -5.999 -12.713 279 2HD LYS 36 HD1 LYS 36 139.639 -6.351 -11.727 280 1HE LYS 36 HE2 LYS 36 138.434 -6.525 -9.808 281 2HE LYS 36 HE1 LYS 36 137.247 -5.325 -10.318 282 1HZ LYS 36 HZ1 LYS 36 137.411 -8.083 -11.401 283 2HZ LYS 36 HZ2 LYS 36 136.214 -6.937 -11.734 284 3HZ LYS 36 HZ3 LYS 36 136.344 -7.597 -10.182 285 H VAL 37 HN VAL 37 141.210 -0.823 -8.910 286 HA VAL 37 HA VAL 37 143.534 -2.001 -7.745 287 HB VAL 37 HB VAL 37 141.976 0.262 -6.529 288 1HG1 VAL 37 HG11 VAL 37 144.697 0.805 -6.476 289 2HG1 VAL 37 HG12 VAL 37 144.585 -0.922 -6.145 290 3HG1 VAL 37 HG13 VAL 37 143.708 0.225 -5.137 291 1HG2 VAL 37 HG21 VAL 37 142.106 1.335 -8.488 292 2HG2 VAL 37 HG22 VAL 37 143.273 0.190 -9.148 293 3HG2 VAL 37 HG23 VAL 37 143.819 1.508 -8.112 294 H ILE 38 HN ILE 38 143.195 -3.871 -6.570 295 HA ILE 38 HA ILE 38 141.838 -3.582 -4.068 296 HB ILE 38 HB ILE 38 140.367 -5.668 -4.532 297 1HG1 ILE 38 HG12 ILE 38 140.150 -4.625 -7.309 298 2HG1 ILE 38 HG11 ILE 38 141.528 -5.660 -6.954 299 1HG2 ILE 38 HG21 ILE 38 139.843 -3.030 -4.371 300 2HG2 ILE 38 HG22 ILE 38 138.609 -4.272 -4.571 301 3HG2 ILE 38 HG23 ILE 38 139.206 -3.387 -5.975 302 1HD1 ILE 38 HD11 ILE 38 138.781 -6.525 -6.182 303 2HD1 ILE 38 HD12 ILE 38 140.207 -7.500 -6.541 304 3HD1 ILE 38 HD13 ILE 38 139.336 -6.697 -7.848 305 H LYS 39 HN LYS 39 141.656 -6.814 -5.084 306 HA LYS 39 HA LYS 39 142.888 -8.678 -4.728 307 1HB LYS 39 HB2 LYS 39 144.930 -6.658 -5.093 308 2HB LYS 39 HB1 LYS 39 145.434 -7.875 -3.927 309 1HG LYS 39 HG2 LYS 39 146.156 -8.901 -5.801 310 2HG LYS 39 HG1 LYS 39 144.493 -9.494 -5.817 311 1HD LYS 39 HD2 LYS 39 144.126 -7.218 -7.155 312 2HD LYS 39 HD1 LYS 39 145.822 -7.493 -7.559 313 1HE LYS 39 HE2 LYS 39 144.314 -8.469 -9.227 314 2HE LYS 39 HE1 LYS 39 145.283 -9.699 -8.417 315 1HZ LYS 39 HZ1 LYS 39 143.468 -10.474 -7.242 316 2HZ LYS 39 HZ2 LYS 39 142.785 -10.108 -8.745 317 3HZ LYS 39 HZ3 LYS 39 142.578 -9.049 -7.443 318 HA PRO 40 HA PRO 40 142.894 -9.837 -0.503 319 1HB PRO 40 HB2 PRO 40 145.872 -10.132 -0.585 320 2HB PRO 40 HB1 PRO 40 144.652 -11.233 0.064 321 1HG PRO 40 HG2 PRO 40 145.770 -11.696 -2.306 322 2HG PRO 40 HG1 PRO 40 144.050 -12.017 -2.032 323 1HD PRO 40 HD2 PRO 40 145.344 -9.832 -3.568 324 2HD PRO 40 HD1 PRO 40 143.757 -10.591 -3.799 325 H CYS 41 HN CYS 41 146.043 -8.180 -0.838 326 HA CYS 41 HA CYS 41 146.974 -6.437 0.299 327 1HB CYS 41 HB2 CYS 41 145.206 -5.096 -0.637 328 2HB CYS 41 HB1 CYS 41 144.060 -5.676 0.565 329 HG CYS 41 HG CYS 41 144.740 -3.399 1.431 330 H MET 42 HN MET 42 147.369 -5.573 2.454 331 HA MET 42 HA MET 42 145.947 -6.688 4.696 332 1HB MET 42 HB2 MET 42 148.493 -7.856 3.753 333 2HB MET 42 HB1 MET 42 148.405 -7.529 5.479 334 1HG MET 42 HG2 MET 42 147.019 -9.230 5.850 335 2HG MET 42 HG1 MET 42 146.027 -8.850 4.445 336 1HE MET 42 HE1 MET 42 147.899 -11.010 6.208 337 2HE MET 42 HE2 MET 42 149.202 -11.721 5.258 338 3HE MET 42 HE3 MET 42 147.580 -12.408 5.181 339 H LYS 43 HN LYS 43 146.326 -5.593 6.593 340 HA LYS 43 HA LYS 43 148.272 -3.377 6.470 341 1HB LYS 43 HB2 LYS 43 145.471 -3.200 6.635 342 2HB LYS 43 HB1 LYS 43 146.056 -2.838 8.252 343 1HG LYS 43 HG2 LYS 43 147.718 -1.278 6.920 344 2HG LYS 43 HG1 LYS 43 146.430 -1.345 5.716 345 1HD LYS 43 HD2 LYS 43 145.238 0.132 6.875 346 2HD LYS 43 HD1 LYS 43 145.267 -0.922 8.290 347 1HE LYS 43 HE2 LYS 43 147.523 0.933 7.559 348 2HE LYS 43 HE1 LYS 43 146.200 1.394 8.629 349 1HZ LYS 43 HZ1 LYS 43 147.536 0.593 10.216 350 2HZ LYS 43 HZ2 LYS 43 148.474 -0.312 9.138 351 3HZ LYS 43 HZ3 LYS 43 147.005 -0.931 9.706 352 H LYS 44 HN LYS 44 149.434 -2.938 8.349 353 HA LYS 44 HA LYS 44 148.852 -4.518 10.735 354 1HB LYS 44 HB2 LYS 44 151.390 -4.676 9.134 355 2HB LYS 44 HB1 LYS 44 151.378 -5.039 10.854 356 1HG LYS 44 HG2 LYS 44 150.246 -6.986 10.578 357 2HG LYS 44 HG1 LYS 44 149.364 -6.402 9.164 358 1HD LYS 44 HD2 LYS 44 152.236 -6.590 8.710 359 2HD LYS 44 HD1 LYS 44 151.508 -8.137 9.142 360 1HE LYS 44 HE2 LYS 44 151.550 -7.701 6.699 361 2HE LYS 44 HE1 LYS 44 149.932 -7.968 7.344 362 1HZ LYS 44 HZ1 LYS 44 150.542 -5.945 5.750 363 2HZ LYS 44 HZ2 LYS 44 150.839 -5.207 7.243 364 3HZ LYS 44 HZ3 LYS 44 149.314 -5.859 6.911 365 H THR 45 HN THR 45 148.475 -2.810 12.048 366 HA THR 45 HA THR 45 150.241 -0.547 12.057 367 HB THR 45 HB THR 45 147.855 -1.053 13.825 368 HG1 THR 45 HG1 THR 45 146.746 0.237 12.275 369 1HG2 THR 45 HG21 THR 45 148.729 0.786 14.801 370 2HG2 THR 45 HG22 THR 45 147.856 1.579 13.488 371 3HG2 THR 45 HG23 THR 45 149.591 1.290 13.347 372 H ILE 46 HN ILE 46 151.443 0.166 13.863 373 HA ILE 46 HA ILE 46 151.658 -1.668 16.134 374 HB ILE 46 HB ILE 46 154.238 -1.345 15.942 375 1HG1 ILE 46 HG12 ILE 46 153.774 0.095 13.799 376 2HG1 ILE 46 HG11 ILE 46 155.162 -0.987 13.848 377 1HG2 ILE 46 HG21 ILE 46 152.622 -3.327 14.361 378 2HG2 ILE 46 HG22 ILE 46 153.267 -3.505 15.993 379 3HG2 ILE 46 HG23 ILE 46 154.362 -3.470 14.611 380 1HD1 ILE 46 HD11 ILE 46 153.652 -0.939 11.758 381 2HD1 ILE 46 HD12 ILE 46 152.563 -1.930 12.728 382 3HD1 ILE 46 HD13 ILE 46 154.199 -2.491 12.390 383 H TYR 47 HN TYR 47 151.034 -0.250 17.634 384 HA TYR 47 HA TYR 47 152.459 2.319 17.778 385 1HB TYR 47 HB2 TYR 47 150.554 3.145 19.105 386 2HB TYR 47 HB1 TYR 47 150.049 2.588 17.514 387 HD1 TYR 47 HD1 TYR 47 148.309 1.043 17.324 388 HD2 TYR 47 HD2 TYR 47 150.288 1.485 21.062 389 HE1 TYR 47 HE1 TYR 47 146.646 -0.436 18.370 390 HE2 TYR 47 HE2 TYR 47 148.632 0.007 22.121 391 HH TYR 47 HH TYR 47 146.360 -1.825 20.285 392 H GLU 48 HN GLU 48 153.210 3.079 19.777 393 HA GLU 48 HA GLU 48 154.157 1.011 21.517 394 1HB GLU 48 HB2 GLU 48 155.643 2.829 20.965 395 2HB GLU 48 HB1 GLU 48 154.497 4.001 21.599 396 1HG GLU 48 HG2 GLU 48 155.306 3.795 23.649 397 2HG GLU 48 HG1 GLU 48 155.157 2.040 23.600 398 H ASN 49 HN ASN 49 152.831 4.069 22.531 399 HA ASN 49 HA ASN 49 150.530 3.091 23.815 400 1HB ASN 49 HB2 ASN 49 152.794 2.382 25.208 401 2HB ASN 49 HB1 ASN 49 152.321 3.882 26.002 402 1HD2 ASN 49 HD21 ASN 49 150.465 1.223 24.567 403 2HD2 ASN 49 HD22 ASN 49 149.543 0.875 25.986 404 H GLU 50 HN GLU 50 153.101 5.439 24.598 405 HA GLU 50 HA GLU 50 151.059 7.535 24.765 406 1HB GLU 50 HB2 GLU 50 153.943 7.477 25.670 407 2HB GLU 50 HB1 GLU 50 152.898 8.885 25.796 408 1HG GLU 50 HG2 GLU 50 152.384 8.138 27.819 409 2HG GLU 50 HG1 GLU 50 151.414 6.916 26.999 410 H ARG 51 HN ARG 51 151.764 6.537 22.209 411 HA ARG 51 HA ARG 51 152.169 7.336 20.117 412 1HB ARG 51 HB2 ARG 51 152.759 10.017 21.371 413 2HB ARG 51 HB1 ARG 51 152.257 9.691 19.718 414 1HG ARG 51 HG2 ARG 51 150.095 8.812 20.675 415 2HG ARG 51 HG1 ARG 51 150.615 9.482 22.224 416 1HD ARG 51 HD2 ARG 51 150.886 11.693 21.045 417 2HD ARG 51 HD1 ARG 51 150.085 10.963 19.655 418 HE ARG 51 HE ARG 51 148.084 11.121 20.762 419 1HH1 ARG 51 HH11 ARG 51 150.686 11.648 23.027 420 2HH1 ARG 51 HH12 ARG 51 149.636 12.147 24.310 421 1HH2 ARG 51 HH21 ARG 51 146.700 11.777 22.450 422 2HH2 ARG 51 HH22 ARG 51 147.373 12.221 23.982 423 H GLU 52 HN GLU 52 154.161 5.930 21.145 424 HA GLU 52 HA GLU 52 156.626 7.460 20.892 425 1HB GLU 52 HB2 GLU 52 155.877 5.302 22.487 426 2HB GLU 52 HB1 GLU 52 156.985 4.616 21.308 427 1HG GLU 52 HG2 GLU 52 157.581 7.007 23.033 428 2HG GLU 52 HG1 GLU 52 158.091 5.356 23.383 429 H ILE 53 HN ILE 53 154.640 5.378 19.083 430 HA ILE 53 HA ILE 53 156.439 5.555 16.836 431 HB ILE 53 HB ILE 53 157.338 3.551 17.564 432 1HG1 ILE 53 HG12 ILE 53 155.110 2.445 15.871 433 2HG1 ILE 53 HG11 ILE 53 156.331 3.516 15.191 434 1HG2 ILE 53 HG21 ILE 53 155.056 1.860 17.996 435 2HG2 ILE 53 HG22 ILE 53 154.999 3.280 19.037 436 3HG2 ILE 53 HG23 ILE 53 156.411 2.224 19.063 437 1HD1 ILE 53 HD11 ILE 53 157.648 1.770 14.895 438 2HD1 ILE 53 HD12 ILE 53 156.462 0.717 15.667 439 3HD1 ILE 53 HD13 ILE 53 157.694 1.522 16.641 440 H LYS 54 HN LYS 54 153.876 3.237 17.191 441 HA LYS 54 HA LYS 54 151.835 3.002 16.211 442 1HB LYS 54 HB2 LYS 54 151.518 5.294 17.279 443 2HB LYS 54 HB1 LYS 54 151.857 5.965 15.690 444 1HG LYS 54 HG2 LYS 54 149.911 5.086 14.766 445 2HG LYS 54 HG1 LYS 54 149.710 3.916 16.074 446 1HD LYS 54 HD2 LYS 54 149.431 6.910 16.335 447 2HD LYS 54 HD1 LYS 54 148.096 5.762 16.235 448 1HE LYS 54 HE2 LYS 54 149.536 4.697 18.268 449 2HE LYS 54 HE1 LYS 54 149.872 6.413 18.488 450 1HZ LYS 54 HZ1 LYS 54 147.327 4.973 18.706 451 2HZ LYS 54 HZ2 LYS 54 147.295 6.586 18.200 452 3HZ LYS 54 HZ3 LYS 54 147.967 6.183 19.698 453 H GLY 55 HN GLY 55 153.544 2.074 14.629 454 1HA GLY 55 HA2 GLY 55 153.557 3.521 12.090 455 2HA GLY 55 HA1 GLY 55 154.478 2.074 12.456 456 H TYR 56 HN TYR 56 152.178 3.122 10.502 457 HA TYR 56 HA TYR 56 150.703 0.579 10.602 458 1HB TYR 56 HB2 TYR 56 148.869 1.834 9.394 459 2HB TYR 56 HB1 TYR 56 149.140 2.312 11.065 460 HD1 TYR 56 HD1 TYR 56 148.881 3.432 7.695 461 HD2 TYR 56 HD2 TYR 56 150.601 4.396 11.463 462 HE1 TYR 56 HE1 TYR 56 149.127 5.770 6.977 463 HE2 TYR 56 HE2 TYR 56 150.854 6.737 10.756 464 HH TYR 56 HH TYR 56 151.017 8.022 8.665 465 H GLU 57 HN GLU 57 151.332 -0.744 9.043 466 HA GLU 57 HA GLU 57 152.370 0.373 6.544 467 1HB GLU 57 HB2 GLU 57 153.209 -1.918 6.116 468 2HB GLU 57 HB1 GLU 57 153.832 -1.233 7.610 469 1HG GLU 57 HG2 GLU 57 151.519 -2.583 8.357 470 2HG GLU 57 HG1 GLU 57 152.299 -3.634 7.178 471 H TYR 58 HN TYR 58 151.298 0.213 4.677 472 HA TYR 58 HA TYR 58 148.851 -1.435 4.637 473 1HB TYR 58 HB2 TYR 58 148.945 1.281 4.487 474 2HB TYR 58 HB1 TYR 58 149.008 0.856 2.781 475 HD1 TYR 58 HD1 TYR 58 147.244 -1.273 2.344 476 HD2 TYR 58 HD2 TYR 58 146.841 1.881 5.168 477 HE1 TYR 58 HE1 TYR 58 144.804 -1.577 2.325 478 HE2 TYR 58 HE2 TYR 58 144.399 1.586 5.160 479 HH TYR 58 HH TYR 58 142.812 -0.585 2.909 480 H GLN 59 HN GLN 59 149.452 -3.214 3.526 481 HA GLN 59 HA GLN 59 150.920 -2.876 1.006 482 1HB GLN 59 HB2 GLN 59 151.803 -4.496 2.686 483 2HB GLN 59 HB1 GLN 59 150.318 -5.424 2.523 484 1HG GLN 59 HG2 GLN 59 151.088 -5.255 -0.060 485 2HG GLN 59 HG1 GLN 59 152.652 -5.258 0.753 486 1HE2 GLN 59 HE21 GLN 59 149.545 -6.909 1.237 487 2HE2 GLN 59 HE22 GLN 59 150.212 -8.500 1.332 488 H LEU 60 HN LEU 60 149.500 -2.460 -0.598 489 HA LEU 60 HA LEU 60 147.181 -4.205 -0.824 490 1HB LEU 60 HB2 LEU 60 146.863 -1.681 -0.346 491 2HB LEU 60 HB1 LEU 60 147.274 -1.476 -2.036 492 HG LEU 60 HG LEU 60 145.240 -3.486 -1.804 493 1HD1 LEU 60 HD11 LEU 60 143.848 -2.746 -0.254 494 2HD1 LEU 60 HD12 LEU 60 143.798 -1.159 -1.021 495 3HD1 LEU 60 HD13 LEU 60 145.018 -1.508 0.201 496 1HD2 LEU 60 HD21 LEU 60 144.302 -1.011 -2.896 497 2HD2 LEU 60 HD22 LEU 60 144.687 -2.520 -3.723 498 3HD2 LEU 60 HD23 LEU 60 145.948 -1.317 -3.454 499 H TYR 61 HN TYR 61 146.390 -4.558 -3.066 500 HA TYR 61 HA TYR 61 148.605 -4.446 -5.004 501 1HB TYR 61 HB2 TYR 61 146.829 -6.719 -4.244 502 2HB TYR 61 HB1 TYR 61 147.419 -6.620 -5.898 503 HD1 TYR 61 HD1 TYR 61 148.526 -6.732 -2.356 504 HD2 TYR 61 HD2 TYR 61 149.587 -7.363 -6.428 505 HE1 TYR 61 HE1 TYR 61 150.631 -7.778 -1.638 506 HE2 TYR 61 HE2 TYR 61 151.697 -8.411 -5.721 507 HH TYR 61 HH TYR 61 152.309 -9.310 -2.481 508 H VAL 62 HN VAL 62 147.999 -2.861 -6.317 509 HA VAL 62 HA VAL 62 145.230 -2.469 -7.023 510 HB VAL 62 HB VAL 62 146.588 -0.507 -6.630 511 1HG1 VAL 62 HG11 VAL 62 148.207 -0.611 -9.036 512 2HG1 VAL 62 HG12 VAL 62 148.596 -1.912 -7.912 513 3HG1 VAL 62 HG13 VAL 62 148.669 -0.234 -7.377 514 1HG2 VAL 62 HG21 VAL 62 145.595 0.718 -8.235 515 2HG2 VAL 62 HG22 VAL 62 144.869 -0.820 -8.699 516 3HG2 VAL 62 HG23 VAL 62 146.301 -0.233 -9.541 517 H TYR 63 HN TYR 63 144.485 -4.049 -8.358 518 HA TYR 63 HA TYR 63 146.052 -4.931 -10.629 519 1HB TYR 63 HB2 TYR 63 144.555 -6.492 -9.413 520 2HB TYR 63 HB1 TYR 63 143.170 -5.536 -9.922 521 HD1 TYR 63 HD1 TYR 63 142.050 -6.117 -11.867 522 HD2 TYR 63 HD2 TYR 63 146.070 -7.407 -11.342 523 HE1 TYR 63 HE1 TYR 63 141.888 -7.443 -13.931 524 HE2 TYR 63 HE2 TYR 63 145.920 -8.734 -13.405 525 HH TYR 63 HH TYR 63 144.508 -8.651 -15.551 526 H ALA 64 HN ALA 64 146.317 -2.881 -11.678 527 HA ALA 64 HA ALA 64 143.927 -1.589 -12.715 528 1HB ALA 64 HB1 ALA 64 146.829 -0.831 -12.982 529 2HB ALA 64 HB2 ALA 64 145.679 -0.180 -11.812 530 3HB ALA 64 HB3 ALA 64 145.460 0.135 -13.533 531 H SER 65 HN SER 65 144.427 -0.628 -15.070 532 HA SER 65 HA SER 65 144.029 -2.745 -16.854 533 1HB SER 65 HB2 SER 65 143.744 -0.021 -16.975 534 2HB SER 65 HB1 SER 65 145.102 -0.288 -18.065 535 HG SER 65 HG SER 65 143.814 -1.238 -19.440 536 H ASP 66 HN ASP 66 146.944 -1.255 -15.720 537 HA ASP 66 HA ASP 66 148.565 -2.316 -17.819 538 1HB ASP 66 HB2 ASP 66 149.098 -0.689 -15.367 539 2HB ASP 66 HB1 ASP 66 150.433 -1.467 -16.212 540 H LYS 67 HN LYS 67 146.994 -4.043 -15.856 541 HA LYS 67 HA LYS 67 147.326 -6.270 -15.336 542 1HB LYS 67 HB2 LYS 67 150.284 -5.743 -15.053 543 2HB LYS 67 HB1 LYS 67 149.473 -7.297 -15.174 544 1HG LYS 67 HG2 LYS 67 148.735 -5.943 -17.487 545 2HG LYS 67 HG1 LYS 67 150.442 -5.556 -17.261 546 1HD LYS 67 HD2 LYS 67 150.367 -8.244 -16.720 547 2HD LYS 67 HD1 LYS 67 149.166 -8.082 -18.002 548 1HE LYS 67 HE2 LYS 67 151.187 -6.540 -18.965 549 2HE LYS 67 HE1 LYS 67 152.087 -7.780 -18.092 550 1HZ LYS 67 HZ1 LYS 67 151.411 -9.398 -19.507 551 2HZ LYS 67 HZ2 LYS 67 151.320 -8.097 -20.583 552 3HZ LYS 67 HZ3 LYS 67 149.918 -8.672 -19.833 553 H LEU 68 HN LEU 68 148.710 -7.385 -13.331 554 HA LEU 68 HA LEU 68 147.568 -6.138 -11.044 555 1HB LEU 68 HB2 LEU 68 148.606 -7.976 -9.788 556 2HB LEU 68 HB1 LEU 68 147.705 -8.542 -11.181 557 HG LEU 68 HG LEU 68 150.590 -8.093 -11.632 558 1HD1 LEU 68 HD11 LEU 68 151.134 -9.130 -9.697 559 2HD1 LEU 68 HD12 LEU 68 150.776 -10.569 -10.651 560 3HD1 LEU 68 HD13 LEU 68 149.564 -9.918 -9.547 561 1HD2 LEU 68 HD21 LEU 68 149.729 -9.093 -13.462 562 2HD2 LEU 68 HD22 LEU 68 148.406 -9.840 -12.566 563 3HD2 LEU 68 HD23 LEU 68 150.016 -10.562 -12.530 564 H PHE 69 HN PHE 69 148.432 -4.836 -9.558 565 HA PHE 69 HA PHE 69 151.340 -4.401 -9.582 566 1HB PHE 69 HB2 PHE 69 149.144 -2.374 -9.772 567 2HB PHE 69 HB1 PHE 69 150.640 -1.946 -8.951 568 HD1 PHE 69 HD1 PHE 69 152.701 -1.695 -10.176 569 HD2 PHE 69 HD2 PHE 69 149.098 -2.800 -12.150 570 HE1 PHE 69 HE1 PHE 69 153.737 -1.182 -12.347 571 HE2 PHE 69 HE2 PHE 69 150.128 -2.292 -14.321 572 HZ PHE 69 HZ PHE 69 152.451 -1.481 -14.425 573 H ARG 70 HN ARG 70 151.949 -3.064 -7.529 574 HA ARG 70 HA ARG 70 150.274 -3.674 -5.277 575 1HB ARG 70 HB2 ARG 70 151.640 -5.670 -5.448 576 2HB ARG 70 HB1 ARG 70 153.100 -4.692 -5.517 577 1HG ARG 70 HG2 ARG 70 151.443 -4.212 -3.151 578 2HG ARG 70 HG1 ARG 70 152.093 -5.847 -3.271 579 1HD ARG 70 HD2 ARG 70 153.756 -3.352 -3.551 580 2HD ARG 70 HD1 ARG 70 153.536 -4.214 -2.032 581 HE ARG 70 HE ARG 70 154.791 -6.013 -2.891 582 1HH1 ARG 70 HH11 ARG 70 154.598 -3.342 -5.141 583 2HH1 ARG 70 HH12 ARG 70 155.939 -3.890 -6.089 584 1HH2 ARG 70 HH21 ARG 70 156.545 -6.727 -4.142 585 2HH2 ARG 70 HH22 ARG 70 157.042 -5.810 -5.524 586 H ALA 71 HN ALA 71 150.267 -2.092 -3.824 587 HA ALA 71 HA ALA 71 152.468 -0.148 -3.918 588 1HB ALA 71 HB1 ALA 71 150.846 1.572 -3.240 589 2HB ALA 71 HB2 ALA 71 149.560 0.366 -3.313 590 3HB ALA 71 HB3 ALA 71 150.418 0.832 -4.783 591 H ASP 72 HN ASP 72 153.273 0.663 -1.929 592 HA ASP 72 HA ASP 72 152.151 -0.693 0.439 593 1HB ASP 72 HB2 ASP 72 154.441 -1.561 -0.633 594 2HB ASP 72 HB1 ASP 72 155.092 -0.265 0.365 595 H ILE 73 HN ILE 73 151.607 0.644 1.973 596 HA ILE 73 HA ILE 73 152.878 3.299 2.104 597 HB ILE 73 HB ILE 73 150.267 2.626 3.427 598 1HG1 ILE 73 HG12 ILE 73 150.135 2.059 0.982 599 2HG1 ILE 73 HG11 ILE 73 149.033 3.333 1.492 600 1HG2 ILE 73 HG21 ILE 73 150.204 5.231 2.576 601 2HG2 ILE 73 HG22 ILE 73 151.904 4.995 2.979 602 3HG2 ILE 73 HG23 ILE 73 150.661 4.687 4.190 603 1HD1 ILE 73 HD11 ILE 73 149.848 4.649 -0.080 604 2HD1 ILE 73 HD12 ILE 73 150.975 3.381 -0.565 605 3HD1 ILE 73 HD13 ILE 73 151.443 4.557 0.665 606 H SER 74 HN SER 74 154.487 3.112 3.562 607 HA SER 74 HA SER 74 153.836 1.804 6.123 608 1HB SER 74 HB2 SER 74 156.058 1.052 6.320 609 2HB SER 74 HB1 SER 74 155.668 0.789 4.620 610 HG SER 74 HG SER 74 156.638 2.996 4.353 611 H GLU 75 HN GLU 75 153.866 3.018 7.896 612 HA GLU 75 HA GLU 75 155.483 5.460 7.935 613 1HB GLU 75 HB2 GLU 75 152.674 5.459 9.011 614 2HB GLU 75 HB1 GLU 75 153.721 6.836 8.708 615 1HG GLU 75 HG2 GLU 75 153.182 5.324 6.294 616 2HG GLU 75 HG1 GLU 75 151.710 5.896 7.071 617 H ASP 76 HN ASP 76 156.820 3.928 9.265 618 HA ASP 76 HA ASP 76 155.676 3.639 11.928 619 1HB ASP 76 HB2 ASP 76 157.811 1.972 10.632 620 2HB ASP 76 HB1 ASP 76 157.200 1.744 12.267 621 H TYR 77 HN TYR 77 157.630 3.173 13.528 622 HA TYR 77 HA TYR 77 159.690 5.218 13.148 623 1HB TYR 77 HB2 TYR 77 157.594 5.116 15.236 624 2HB TYR 77 HB1 TYR 77 159.224 5.434 15.820 625 HD1 TYR 77 HD1 TYR 77 156.346 7.033 15.039 626 HD2 TYR 77 HD2 TYR 77 160.472 7.173 14.019 627 HE1 TYR 77 HE1 TYR 77 156.105 9.399 14.411 628 HE2 TYR 77 HE2 TYR 77 160.245 9.539 13.389 629 HH TYR 77 HH TYR 77 158.046 11.481 14.299 630 H LYS 78 HN LYS 78 161.357 4.992 14.990 631 HA LYS 78 HA LYS 78 162.875 3.748 16.172 632 1HB LYS 78 HB2 LYS 78 160.536 2.472 16.764 633 2HB LYS 78 HB1 LYS 78 161.426 1.180 15.972 634 1HG LYS 78 HG2 LYS 78 162.336 0.788 17.963 635 2HG LYS 78 HG1 LYS 78 163.289 2.247 17.692 636 1HD LYS 78 HD2 LYS 78 161.876 3.559 19.002 637 2HD LYS 78 HD1 LYS 78 160.544 2.406 18.887 638 1HE LYS 78 HE2 LYS 78 163.133 1.918 20.358 639 2HE LYS 78 HE1 LYS 78 161.627 2.436 21.115 640 1HZ LYS 78 HZ1 LYS 78 162.392 -0.176 20.107 641 2HZ LYS 78 HZ2 LYS 78 160.799 0.288 19.785 642 3HZ LYS 78 HZ3 LYS 78 161.356 0.234 21.381 643 H THR 79 HN THR 79 163.702 4.195 13.875 644 HA THR 79 HA THR 79 165.210 3.459 12.309 645 HB THR 79 HB THR 79 164.571 0.579 12.821 646 HG1 THR 79 HG1 THR 79 164.953 0.937 14.861 647 1HG2 THR 79 HG21 THR 79 167.174 0.580 12.757 648 2HG2 THR 79 HG22 THR 79 166.954 2.137 11.958 649 3HG2 THR 79 HG23 THR 79 166.244 0.681 11.262 650 H ARG 80 HN ARG 80 162.283 3.795 12.102 651 HA ARG 80 HA ARG 80 161.695 2.213 9.749 652 1HB ARG 80 HB2 ARG 80 159.973 3.450 11.845 653 2HB ARG 80 HB1 ARG 80 159.317 3.060 10.262 654 1HG ARG 80 HG2 ARG 80 159.123 1.359 12.230 655 2HG ARG 80 HG1 ARG 80 159.474 0.794 10.597 656 1HD ARG 80 HD2 ARG 80 161.774 0.511 11.098 657 2HD ARG 80 HD1 ARG 80 161.621 1.390 12.617 658 HE ARG 80 HE ARG 80 159.958 -0.680 12.996 659 1HH1 ARG 80 HH11 ARG 80 163.252 -0.531 11.849 660 2HH1 ARG 80 HH12 ARG 80 163.672 -2.090 12.477 661 1HH2 ARG 80 HH21 ARG 80 160.511 -2.726 13.823 662 2HH2 ARG 80 HH22 ARG 80 162.116 -3.335 13.597 663 H GLY 81 HN GLY 81 159.949 3.489 8.430 664 1HA GLY 81 HA2 GLY 81 161.045 6.185 7.937 665 2HA GLY 81 HA1 GLY 81 160.573 5.096 6.636 666 H ARG 82 HN ARG 82 158.994 6.437 5.780 667 HA ARG 82 HA ARG 82 156.427 6.116 6.672 668 1HB ARG 82 HB2 ARG 82 156.815 7.399 8.617 669 2HB ARG 82 HB1 ARG 82 157.700 8.625 7.727 670 1HG ARG 82 HG2 ARG 82 155.174 8.640 6.574 671 2HG ARG 82 HG1 ARG 82 154.871 8.418 8.297 672 1HD ARG 82 HD2 ARG 82 155.128 10.617 8.519 673 2HD ARG 82 HD1 ARG 82 156.843 10.369 8.193 674 HE ARG 82 HE ARG 82 155.345 10.580 5.785 675 1HH1 ARG 82 HH11 ARG 82 156.717 12.471 8.377 676 2HH1 ARG 82 HH12 ARG 82 156.878 13.903 7.415 677 1HH2 ARG 82 HH21 ARG 82 155.556 12.463 4.518 678 2HH2 ARG 82 HH22 ARG 82 156.220 13.898 5.225 679 H LYS 83 HN LYS 83 155.643 6.059 4.657 680 HA LYS 83 HA LYS 83 154.976 8.263 3.191 681 1HB LYS 83 HB2 LYS 83 156.727 8.037 1.282 682 2HB LYS 83 HB1 LYS 83 157.120 8.990 2.705 683 1HG LYS 83 HG2 LYS 83 158.748 7.587 3.358 684 2HG LYS 83 HG1 LYS 83 157.855 6.148 2.861 685 1HD LYS 83 HD2 LYS 83 159.361 6.033 1.202 686 2HD LYS 83 HD1 LYS 83 158.410 7.320 0.459 687 1HE LYS 83 HE2 LYS 83 160.440 8.332 0.390 688 2HE LYS 83 HE1 LYS 83 159.969 8.815 2.019 689 1HZ LYS 83 HZ1 LYS 83 161.125 6.523 2.579 690 2HZ LYS 83 HZ2 LYS 83 162.006 7.962 2.463 691 3HZ LYS 83 HZ3 LYS 83 161.979 6.880 1.163 692 H LEU 84 HN LEU 84 154.456 7.849 0.890 693 HA LEU 84 HA LEU 84 153.643 5.045 0.510 694 1HB LEU 84 HB2 LEU 84 152.577 7.405 -1.019 695 2HB LEU 84 HB1 LEU 84 151.846 5.826 -0.814 696 HG LEU 84 HG LEU 84 151.723 6.495 1.706 697 1HD1 LEU 84 HD11 LEU 84 152.487 9.012 0.370 698 2HD1 LEU 84 HD12 LEU 84 152.758 8.474 2.027 699 3HD1 LEU 84 HD13 LEU 84 151.183 9.114 1.554 700 1HD2 LEU 84 HD21 LEU 84 149.982 7.025 -0.574 701 2HD2 LEU 84 HD22 LEU 84 149.645 8.052 0.819 702 3HD2 LEU 84 HD23 LEU 84 149.615 6.297 0.990 703 H LEU 85 HN LEU 85 154.581 3.908 -1.133 704 HA LEU 85 HA LEU 85 155.751 5.376 -3.364 705 1HB LEU 85 HB2 LEU 85 157.831 3.762 -2.904 706 2HB LEU 85 HB1 LEU 85 157.721 5.396 -2.275 707 HG LEU 85 HG LEU 85 156.739 3.057 -0.661 708 1HD1 LEU 85 HD11 LEU 85 158.869 2.768 0.320 709 2HD1 LEU 85 HD12 LEU 85 159.524 4.186 -0.498 710 3HD1 LEU 85 HD13 LEU 85 159.134 2.737 -1.424 711 1HD2 LEU 85 HD21 LEU 85 157.781 4.898 1.041 712 2HD2 LEU 85 HD22 LEU 85 156.091 4.837 0.548 713 3HD2 LEU 85 HD23 LEU 85 157.205 5.935 -0.265 714 H ARG 86 HN ARG 86 156.312 2.075 -2.168 715 HA ARG 86 HA ARG 86 156.525 0.591 -4.289 716 1HB ARG 86 HB2 ARG 86 155.023 0.140 -1.799 717 2HB ARG 86 HB1 ARG 86 154.640 -0.970 -3.108 718 1HG ARG 86 HG2 ARG 86 157.500 -0.574 -2.761 719 2HG ARG 86 HG1 ARG 86 156.712 -1.210 -1.317 720 1HD ARG 86 HD2 ARG 86 155.587 -2.698 -3.335 721 2HD ARG 86 HD1 ARG 86 157.249 -2.491 -3.885 722 HE ARG 86 HE ARG 86 156.383 -4.211 -1.842 723 1HH1 ARG 86 HH11 ARG 86 158.947 -1.941 -2.526 724 2HH1 ARG 86 HH12 ARG 86 160.088 -2.728 -1.489 725 1HH2 ARG 86 HH21 ARG 86 157.885 -5.247 -0.482 726 2HH2 ARG 86 HH22 ARG 86 159.487 -4.606 -0.330 727 H PHE 87 HN PHE 87 155.560 0.051 -6.133 728 HA PHE 87 HA PHE 87 152.743 0.122 -6.547 729 1HB PHE 87 HB2 PHE 87 153.916 2.600 -6.715 730 2HB PHE 87 HB1 PHE 87 153.958 2.063 -8.390 731 HD1 PHE 87 HD1 PHE 87 151.619 2.305 -5.500 732 HD2 PHE 87 HD2 PHE 87 152.124 2.442 -9.724 733 HE1 PHE 87 HE1 PHE 87 149.262 2.961 -5.757 734 HE2 PHE 87 HE2 PHE 87 149.768 3.098 -9.990 735 HZ PHE 87 HZ PHE 87 148.333 3.359 -8.005 736 H ASN 88 HN ASN 88 154.552 -1.880 -6.905 737 HA ASN 88 HA ASN 88 154.600 -2.154 -9.834 738 1HB ASN 88 HB2 ASN 88 156.883 -1.785 -8.563 739 2HB ASN 88 HB1 ASN 88 156.706 -3.497 -8.193 740 1HD2 ASN 88 HD21 ASN 88 157.546 -4.851 -9.597 741 2HD2 ASN 88 HD22 ASN 88 157.882 -4.518 -11.259 742 H GLY 89 HN GLY 89 154.756 -4.469 -10.532 743 1HA GLY 89 HA2 GLY 89 153.915 -6.484 -8.649 744 2HA GLY 89 HA1 GLY 89 152.639 -5.978 -9.747 745 HA PRO 90 HA PRO 90 155.790 -9.026 -11.742 746 1HB PRO 90 HB2 PRO 90 154.817 -11.451 -11.039 747 2HB PRO 90 HB1 PRO 90 156.040 -10.604 -10.085 748 1HG PRO 90 HG2 PRO 90 153.083 -10.787 -9.645 749 2HG PRO 90 HG1 PRO 90 154.402 -10.917 -8.464 750 1HD PRO 90 HD2 PRO 90 152.952 -8.648 -8.809 751 2HD PRO 90 HD1 PRO 90 154.655 -8.635 -8.307 752 H VAL 91 HN VAL 91 155.029 -11.051 -13.164 753 HA VAL 91 HA VAL 91 153.178 -10.053 -15.023 754 HB VAL 91 HB VAL 91 153.275 -12.297 -16.068 755 1HG1 VAL 91 HG11 VAL 91 154.974 -10.678 -16.627 756 2HG1 VAL 91 HG12 VAL 91 155.709 -12.278 -16.523 757 3HG1 VAL 91 HG13 VAL 91 155.917 -11.125 -15.206 758 1HG2 VAL 91 HG21 VAL 91 155.127 -13.782 -14.903 759 2HG2 VAL 91 HG22 VAL 91 153.425 -13.909 -14.457 760 3HG2 VAL 91 HG23 VAL 91 154.531 -12.967 -13.458 Start of MODEL 11 1 1H GLY 1 HT1 GLY 1 153.947 -6.341 11.830 2 2H GLY 1 HT2 GLY 1 155.198 -5.328 12.350 3 3H GLY 1 HT3 GLY 1 153.614 -4.742 12.273 4 1HA GLY 1 HA1 GLY 1 154.872 -6.470 14.269 5 2HA GLY 1 HA2 GLY 1 153.739 -5.145 14.495 6 H GLU 2 HN GLU 2 151.516 -5.631 13.394 7 HA GLU 2 HA GLU 2 150.761 -8.430 13.557 8 1HB GLU 2 HB2 GLU 2 150.634 -7.325 15.891 9 2HB GLU 2 HB1 GLU 2 149.237 -6.471 15.249 10 1HG GLU 2 HG2 GLU 2 148.288 -8.737 14.662 11 2HG GLU 2 HG1 GLU 2 149.584 -9.426 15.637 12 H TRP 3 HN TRP 3 149.879 -8.578 11.593 13 HA TRP 3 HA TRP 3 148.595 -6.558 10.170 14 1HB TRP 3 HB2 TRP 3 147.399 -8.741 9.106 15 2HB TRP 3 HB1 TRP 3 149.032 -8.230 8.700 16 HD1 TRP 3 HD1 TRP 3 150.842 -10.021 8.960 17 HE1 TRP 3 HE1 TRP 3 151.022 -12.298 10.147 18 HE3 TRP 3 HE3 TRP 3 146.358 -10.017 11.418 19 HZ2 TRP 3 HZ2 TRP 3 149.472 -13.882 11.892 20 HZ3 TRP 3 HZ3 TRP 3 145.783 -11.952 12.826 21 HH2 TRP 3 HH2 TRP 3 147.308 -13.845 13.055 22 H GLU 4 HN GLU 4 146.324 -6.336 9.589 23 HA GLU 4 HA GLU 4 144.404 -7.443 11.478 24 1HB GLU 4 HB2 GLU 4 145.475 -5.042 12.100 25 2HB GLU 4 HB1 GLU 4 144.138 -4.523 11.084 26 1HG GLU 4 HG2 GLU 4 142.676 -4.871 12.707 27 2HG GLU 4 HG1 GLU 4 143.260 -6.515 12.960 28 H ILE 5 HN ILE 5 144.631 -8.086 8.835 29 HA ILE 5 HA ILE 5 143.053 -6.538 7.107 30 HB ILE 5 HB ILE 5 144.647 -8.210 6.284 31 1HG1 ILE 5 HG12 ILE 5 143.239 -9.154 4.512 32 2HG1 ILE 5 HG11 ILE 5 141.795 -8.812 5.460 33 1HG2 ILE 5 HG21 ILE 5 142.888 -10.510 6.674 34 2HG2 ILE 5 HG22 ILE 5 143.565 -9.867 8.171 35 3HG2 ILE 5 HG23 ILE 5 144.636 -10.369 6.863 36 1HD1 ILE 5 HD11 ILE 5 143.486 -6.479 5.002 37 2HD1 ILE 5 HD12 ILE 5 141.743 -6.680 4.815 38 3HD1 ILE 5 HD13 ILE 5 142.835 -7.202 3.531 39 H ILE 6 HN ILE 6 140.885 -6.591 6.622 40 HA ILE 6 HA ILE 6 139.114 -8.640 7.386 41 HB ILE 6 HB ILE 6 139.676 -7.678 9.637 42 1HG1 ILE 6 HG12 ILE 6 136.838 -7.737 8.604 43 2HG1 ILE 6 HG11 ILE 6 137.731 -9.044 9.376 44 1HG2 ILE 6 HG21 ILE 6 138.679 -5.585 10.279 45 2HG2 ILE 6 HG22 ILE 6 137.983 -5.383 8.671 46 3HG2 ILE 6 HG23 ILE 6 139.733 -5.324 8.887 47 1HD1 ILE 6 HD11 ILE 6 136.950 -6.486 10.753 48 2HD1 ILE 6 HD12 ILE 6 137.660 -7.924 11.488 49 3HD1 ILE 6 HD13 ILE 6 136.028 -7.987 10.826 50 H GLU 7 HN GLU 7 139.427 -5.164 6.811 51 HA GLU 7 HA GLU 7 136.856 -4.567 6.007 52 1HB GLU 7 HB2 GLU 7 139.525 -3.479 5.153 53 2HB GLU 7 HB1 GLU 7 138.030 -2.853 4.471 54 1HG GLU 7 HG2 GLU 7 137.826 -2.960 7.327 55 2HG GLU 7 HG1 GLU 7 139.289 -2.095 6.856 56 H ILE 8 HN ILE 8 139.348 -4.721 3.501 57 HA ILE 8 HA ILE 8 139.465 -5.867 1.525 58 HB ILE 8 HB ILE 8 136.821 -7.166 2.173 59 1HG1 ILE 8 HG12 ILE 8 139.631 -8.133 2.760 60 2HG1 ILE 8 HG11 ILE 8 138.435 -7.644 3.957 61 1HG2 ILE 8 HG21 ILE 8 137.465 -7.272 -0.169 62 2HG2 ILE 8 HG22 ILE 8 137.575 -8.865 0.578 63 3HG2 ILE 8 HG23 ILE 8 139.039 -7.929 0.278 64 1HD1 ILE 8 HD11 ILE 8 137.535 -9.664 3.982 65 2HD1 ILE 8 HD12 ILE 8 138.891 -10.201 2.989 66 3HD1 ILE 8 HD13 ILE 8 137.387 -9.690 2.225 67 H GLY 9 HN GLY 9 136.690 -4.046 2.498 68 1HA GLY 9 HA2 GLY 9 135.703 -3.744 -0.218 69 2HA GLY 9 HA1 GLY 9 135.019 -3.015 1.228 70 HA PRO 10 HA PRO 10 136.757 0.834 -0.084 71 1HB PRO 10 HB2 PRO 10 137.038 2.057 2.350 72 2HB PRO 10 HB1 PRO 10 135.496 1.914 1.499 73 1HG PRO 10 HG2 PRO 10 136.595 0.244 3.727 74 2HG PRO 10 HG1 PRO 10 134.947 0.857 3.494 75 1HD PRO 10 HD2 PRO 10 135.611 -1.690 2.930 76 2HD PRO 10 HD1 PRO 10 134.411 -0.799 1.969 77 H PHE 11 HN PHE 11 138.264 -1.017 2.490 78 HA PHE 11 HA PHE 11 140.666 0.281 2.804 79 1HB PHE 11 HB2 PHE 11 139.926 -1.660 4.148 80 2HB PHE 11 HB1 PHE 11 140.222 -2.711 2.767 81 HD1 PHE 11 HD1 PHE 11 141.571 -1.409 5.729 82 HD2 PHE 11 HD2 PHE 11 142.655 -2.607 1.793 83 HE1 PHE 11 HE1 PHE 11 143.899 -1.703 6.464 84 HE2 PHE 11 HE2 PHE 11 144.985 -2.905 2.521 85 HZ PHE 11 HZ PHE 11 145.610 -2.452 4.859 86 H THR 12 HN THR 12 139.688 -1.996 0.302 87 HA THR 12 HA THR 12 142.253 -2.126 -0.942 88 HB THR 12 HB THR 12 140.430 -2.924 -2.841 89 HG1 THR 12 HG1 THR 12 138.881 -4.116 -1.651 90 1HG2 THR 12 HG21 THR 12 142.330 -4.155 -1.220 91 2HG2 THR 12 HG22 THR 12 141.495 -4.846 -2.612 92 3HG2 THR 12 HG23 THR 12 140.841 -5.072 -0.991 93 H GLN 13 HN GLN 13 139.147 -0.787 -2.079 94 HA GLN 13 HA GLN 13 140.064 0.558 -4.298 95 1HB GLN 13 HB2 GLN 13 137.699 0.344 -3.799 96 2HB GLN 13 HB1 GLN 13 137.871 1.374 -2.384 97 1HG GLN 13 HG2 GLN 13 137.992 3.290 -3.617 98 2HG GLN 13 HG1 GLN 13 138.669 2.473 -5.025 99 1HE2 GLN 13 HE21 GLN 13 136.586 4.319 -5.170 100 2HE2 GLN 13 HE22 GLN 13 135.159 3.501 -5.699 101 H ASN 14 HN ASN 14 140.446 1.385 -0.948 102 HA ASN 14 HA ASN 14 140.991 4.093 -1.094 103 1HB ASN 14 HB2 ASN 14 141.267 2.011 0.834 104 2HB ASN 14 HB1 ASN 14 142.782 2.909 0.792 105 1HD2 ASN 14 HD21 ASN 14 141.991 3.349 3.034 106 2HD2 ASN 14 HD22 ASN 14 141.001 4.746 3.262 107 H LEU 15 HN LEU 15 143.454 1.493 -1.008 108 HA LEU 15 HA LEU 15 145.639 3.065 -1.628 109 1HB LEU 15 HB2 LEU 15 145.390 0.468 -1.153 110 2HB LEU 15 HB1 LEU 15 145.453 0.376 -2.904 111 HG LEU 15 HG LEU 15 147.670 0.051 -2.257 112 1HD1 LEU 15 HD11 LEU 15 148.898 2.007 -2.972 113 2HD1 LEU 15 HD12 LEU 15 147.478 3.020 -2.719 114 3HD1 LEU 15 HD13 LEU 15 147.468 1.788 -3.980 115 1HD2 LEU 15 HD21 LEU 15 148.777 1.659 -0.612 116 2HD2 LEU 15 HD22 LEU 15 147.646 0.473 0.041 117 3HD2 LEU 15 HD23 LEU 15 147.136 2.146 -0.182 118 H GLY 16 HN GLY 16 143.031 1.976 -3.656 119 1HA GLY 16 HA2 GLY 16 144.170 2.318 -6.193 120 2HA GLY 16 HA1 GLY 16 142.465 2.534 -5.815 121 H LYS 17 HN LYS 17 142.558 4.675 -4.058 122 HA LYS 17 HA LYS 17 142.856 6.857 -5.873 123 1HB LYS 17 HB2 LYS 17 141.206 6.764 -3.979 124 2HB LYS 17 HB1 LYS 17 142.549 6.981 -2.867 125 1HG LYS 17 HG2 LYS 17 142.142 9.160 -3.039 126 2HG LYS 17 HG1 LYS 17 142.883 9.054 -4.637 127 1HD LYS 17 HD2 LYS 17 140.353 8.252 -5.191 128 2HD LYS 17 HD1 LYS 17 140.061 9.391 -3.874 129 1HE LYS 17 HE2 LYS 17 141.181 11.145 -5.055 130 2HE LYS 17 HE1 LYS 17 141.729 10.025 -6.301 131 1HZ LYS 17 HZ1 LYS 17 139.888 11.182 -7.180 132 2HZ LYS 17 HZ2 LYS 17 138.960 10.945 -5.787 133 3HZ LYS 17 HZ3 LYS 17 139.317 9.636 -6.796 134 H PHE 18 HN PHE 18 144.570 5.965 -2.885 135 HA PHE 18 HA PHE 18 146.562 7.924 -3.070 136 1HB PHE 18 HB2 PHE 18 146.550 5.229 -1.713 137 2HB PHE 18 HB1 PHE 18 147.870 6.382 -1.551 138 HD1 PHE 18 HD1 PHE 18 144.666 5.371 -0.354 139 HD2 PHE 18 HD2 PHE 18 147.336 8.675 -0.599 140 HE1 PHE 18 HE1 PHE 18 143.470 6.469 1.493 141 HE2 PHE 18 HE2 PHE 18 146.144 9.780 1.248 142 HZ PHE 18 HZ PHE 18 144.209 8.677 2.298 143 H ALA 19 HN ALA 19 146.067 5.055 -4.820 144 HA ALA 19 HA ALA 19 148.703 4.378 -5.530 145 1HB ALA 19 HB1 ALA 19 146.033 3.620 -6.349 146 2HB ALA 19 HB2 ALA 19 147.520 2.677 -6.353 147 3HB ALA 19 HB3 ALA 19 147.130 3.711 -7.726 148 H VAL 20 HN VAL 20 146.255 6.208 -7.384 149 HA VAL 20 HA VAL 20 147.931 7.034 -9.451 150 HB VAL 20 HB VAL 20 145.508 7.358 -9.546 151 1HG1 VAL 20 HG11 VAL 20 144.795 9.600 -8.279 152 2HG1 VAL 20 HG12 VAL 20 146.019 9.016 -7.152 153 3HG1 VAL 20 HG13 VAL 20 144.637 7.999 -7.560 154 1HG2 VAL 20 HG21 VAL 20 145.840 10.082 -9.940 155 2HG2 VAL 20 HG22 VAL 20 146.098 8.807 -11.130 156 3HG2 VAL 20 HG23 VAL 20 147.453 9.411 -10.177 157 H ASP 21 HN ASP 21 147.586 8.210 -6.188 158 HA ASP 21 HA ASP 21 149.216 10.562 -6.662 159 1HB ASP 21 HB2 ASP 21 147.326 9.877 -4.754 160 2HB ASP 21 HB1 ASP 21 148.845 9.783 -3.869 161 H GLU 22 HN GLU 22 149.634 7.272 -5.696 162 HA GLU 22 HA GLU 22 152.154 7.583 -4.391 163 1HB GLU 22 HB2 GLU 22 150.392 5.619 -4.310 164 2HB GLU 22 HB1 GLU 22 151.333 5.004 -5.659 165 1HG GLU 22 HG2 GLU 22 153.189 4.625 -4.369 166 2HG GLU 22 HG1 GLU 22 152.740 5.843 -3.178 167 H GLU 23 HN GLU 23 151.144 6.590 -7.647 168 HA GLU 23 HA GLU 23 153.560 5.850 -8.731 169 1HB GLU 23 HB2 GLU 23 151.193 7.268 -9.928 170 2HB GLU 23 HB1 GLU 23 152.605 6.883 -10.902 171 1HG GLU 23 HG2 GLU 23 152.294 4.484 -10.103 172 2HG GLU 23 HG1 GLU 23 150.704 5.003 -9.547 173 H ASN 24 HN ASN 24 152.335 9.069 -8.088 174 HA ASN 24 HA ASN 24 154.424 10.456 -9.457 175 1HB ASN 24 HB2 ASN 24 152.265 11.232 -7.528 176 2HB ASN 24 HB1 ASN 24 153.565 12.369 -7.875 177 1HD2 ASN 24 HD21 ASN 24 151.295 10.228 -9.564 178 2HD2 ASN 24 HD22 ASN 24 150.956 11.325 -10.854 179 H LYS 25 HN LYS 25 154.045 9.103 -6.272 180 HA LYS 25 HA LYS 25 156.246 10.554 -5.121 181 1HB LYS 25 HB2 LYS 25 154.282 8.555 -4.206 182 2HB LYS 25 HB1 LYS 25 155.853 8.467 -3.421 183 1HG LYS 25 HG2 LYS 25 155.523 10.356 -2.267 184 2HG LYS 25 HG1 LYS 25 154.757 11.174 -3.630 185 1HD LYS 25 HD2 LYS 25 152.659 10.182 -3.168 186 2HD LYS 25 HD1 LYS 25 153.372 9.028 -2.040 187 1HE LYS 25 HE2 LYS 25 153.849 11.842 -1.369 188 2HE LYS 25 HE1 LYS 25 152.153 11.361 -1.332 189 1HZ LYS 25 HZ1 LYS 25 153.907 11.009 0.685 190 2HZ LYS 25 HZ2 LYS 25 153.932 9.488 -0.052 191 3HZ LYS 25 HZ3 LYS 25 152.469 10.138 0.495 192 H ILE 26 HN ILE 26 156.049 7.041 -4.827 193 HA ILE 26 HA ILE 26 158.740 6.549 -4.922 194 HB ILE 26 HB ILE 26 157.063 4.864 -4.297 195 1HG1 ILE 26 HG12 ILE 26 158.156 2.912 -5.434 196 2HG1 ILE 26 HG11 ILE 26 158.988 4.057 -6.483 197 1HG2 ILE 26 HG21 ILE 26 156.076 3.507 -6.215 198 2HG2 ILE 26 HG22 ILE 26 156.463 4.890 -7.235 199 3HG2 ILE 26 HG23 ILE 26 155.352 5.080 -5.880 200 1HD1 ILE 26 HD11 ILE 26 159.544 4.994 -3.956 201 2HD1 ILE 26 HD12 ILE 26 160.612 4.025 -4.971 202 3HD1 ILE 26 HD13 ILE 26 159.588 3.241 -3.768 203 H GLY 27 HN GLY 27 156.547 6.993 -7.629 204 1HA GLY 27 HA2 GLY 27 158.717 6.398 -9.517 205 2HA GLY 27 HA1 GLY 27 157.014 6.540 -9.923 206 H GLN 28 HN GLN 28 158.281 7.854 -11.642 207 HA GLN 28 HA GLN 28 158.790 10.589 -10.725 208 1HB GLN 28 HB2 GLN 28 159.206 9.494 -13.505 209 2HB GLN 28 HB1 GLN 28 159.885 10.961 -12.813 210 1HG GLN 28 HG2 GLN 28 160.707 8.861 -11.146 211 2HG GLN 28 HG1 GLN 28 160.923 8.295 -12.801 212 1HE2 GLN 28 HE21 GLN 28 161.649 10.471 -14.161 213 2HE2 GLN 28 HE22 GLN 28 163.127 11.126 -13.552 214 H TYR 29 HN TYR 29 157.049 8.952 -13.375 215 HA TYR 29 HA TYR 29 155.007 11.065 -13.210 216 1HB TYR 29 HB2 TYR 29 156.755 10.665 -15.360 217 2HB TYR 29 HB1 TYR 29 155.230 9.956 -15.881 218 HD1 TYR 29 HD1 TYR 29 153.239 11.702 -14.664 219 HD2 TYR 29 HD2 TYR 29 156.962 12.689 -16.471 220 HE1 TYR 29 HE1 TYR 29 152.379 13.943 -15.198 221 HE2 TYR 29 HE2 TYR 29 156.113 14.933 -17.010 222 HH TYR 29 HH TYR 29 154.100 16.471 -15.836 223 H GLY 30 HN GLY 30 153.202 10.144 -12.499 224 1HA GLY 30 HA2 GLY 30 152.693 7.323 -13.008 225 2HA GLY 30 HA1 GLY 30 151.772 8.374 -11.943 226 H ARG 31 HN ARG 31 150.238 6.824 -13.336 227 HA ARG 31 HA ARG 31 148.968 8.615 -15.241 228 1HB ARG 31 HB2 ARG 31 150.374 6.159 -16.004 229 2HB ARG 31 HB1 ARG 31 148.712 6.218 -16.574 230 1HG ARG 31 HG2 ARG 31 149.553 8.695 -17.243 231 2HG ARG 31 HG1 ARG 31 151.053 7.780 -17.403 232 1HD ARG 31 HD2 ARG 31 148.618 6.570 -18.568 233 2HD ARG 31 HD1 ARG 31 149.253 8.003 -19.375 234 HE ARG 31 HE ARG 31 150.334 5.395 -19.480 235 1HH1 ARG 31 HH11 ARG 31 151.301 8.744 -19.298 236 2HH1 ARG 31 HH12 ARG 31 152.818 8.478 -20.086 237 1HH2 ARG 31 HH21 ARG 31 152.332 5.044 -20.517 238 2HH2 ARG 31 HH22 ARG 31 153.405 6.378 -20.777 239 H LEU 32 HN LEU 32 146.971 7.069 -16.186 240 HA LEU 32 HA LEU 32 145.270 6.804 -13.925 241 1HB LEU 32 HB2 LEU 32 145.005 6.384 -16.860 242 2HB LEU 32 HB1 LEU 32 143.803 5.648 -15.817 243 HG LEU 32 HG LEU 32 144.435 8.563 -15.538 244 1HD1 LEU 32 HD11 LEU 32 143.251 9.204 -17.350 245 2HD1 LEU 32 HD12 LEU 32 142.174 7.809 -17.277 246 3HD1 LEU 32 HD13 LEU 32 143.786 7.644 -17.973 247 1HD2 LEU 32 HD21 LEU 32 142.543 8.654 -14.310 248 2HD2 LEU 32 HD22 LEU 32 142.863 6.933 -14.088 249 3HD2 LEU 32 HD23 LEU 32 141.708 7.465 -15.308 250 H THR 33 HN THR 33 145.506 5.193 -12.517 251 HA THR 33 HA THR 33 145.678 2.452 -13.566 252 HB THR 33 HB THR 33 147.896 3.145 -12.734 253 HG1 THR 33 HG1 THR 33 148.156 1.223 -11.946 254 1HG2 THR 33 HG21 THR 33 146.686 4.588 -10.837 255 2HG2 THR 33 HG22 THR 33 148.344 4.001 -10.706 256 3HG2 THR 33 HG23 THR 33 147.032 3.122 -9.920 257 H PHE 34 HN PHE 34 143.387 3.996 -12.683 258 HA PHE 34 HA PHE 34 142.679 2.635 -10.178 259 1HB PHE 34 HB2 PHE 34 142.449 5.119 -10.267 260 2HB PHE 34 HB1 PHE 34 141.245 4.925 -11.536 261 HD1 PHE 34 HD1 PHE 34 141.910 3.458 -8.165 262 HD2 PHE 34 HD2 PHE 34 139.081 5.165 -10.847 263 HE1 PHE 34 HE1 PHE 34 140.154 3.224 -6.455 264 HE2 PHE 34 HE2 PHE 34 137.321 4.937 -9.142 265 HZ PHE 34 HZ PHE 34 137.857 3.966 -6.943 266 H ASN 35 HN ASN 35 142.729 1.210 -12.674 267 HA ASN 35 HA ASN 35 140.109 0.983 -13.750 268 1HB ASN 35 HB2 ASN 35 142.555 0.127 -14.556 269 2HB ASN 35 HB1 ASN 35 141.882 -1.375 -13.931 270 1HD2 ASN 35 HD21 ASN 35 140.085 -2.280 -14.924 271 2HD2 ASN 35 HD22 ASN 35 139.569 -1.800 -16.502 272 H LYS 36 HN LYS 36 141.961 -1.114 -11.539 273 HA LYS 36 HA LYS 36 139.566 -1.779 -10.088 274 1HB LYS 36 HB2 LYS 36 140.549 -3.528 -12.182 275 2HB LYS 36 HB1 LYS 36 140.556 -4.340 -10.623 276 1HG LYS 36 HG2 LYS 36 138.099 -2.883 -11.021 277 2HG LYS 36 HG1 LYS 36 138.396 -4.013 -12.342 278 1HD LYS 36 HD2 LYS 36 138.389 -5.860 -10.930 279 2HD LYS 36 HD1 LYS 36 138.720 -4.886 -9.496 280 1HE LYS 36 HE2 LYS 36 136.146 -4.889 -11.069 281 2HE LYS 36 HE1 LYS 36 136.410 -5.704 -9.528 282 1HZ LYS 36 HZ1 LYS 36 135.590 -3.800 -8.703 283 2HZ LYS 36 HZ2 LYS 36 135.962 -2.895 -10.082 284 3HZ LYS 36 HZ3 LYS 36 137.160 -3.212 -8.931 285 H VAL 37 HN VAL 37 141.197 -0.566 -8.712 286 HA VAL 37 HA VAL 37 143.473 -2.057 -7.774 287 HB VAL 37 HB VAL 37 142.265 0.372 -6.460 288 1HG1 VAL 37 HG11 VAL 37 145.161 0.090 -6.520 289 2HG1 VAL 37 HG12 VAL 37 144.355 -1.249 -5.703 290 3HG1 VAL 37 HG13 VAL 37 144.081 0.405 -5.164 291 1HG2 VAL 37 HG21 VAL 37 143.569 0.140 -9.056 292 2HG2 VAL 37 HG22 VAL 37 144.366 1.289 -7.983 293 3HG2 VAL 37 HG23 VAL 37 142.655 1.479 -8.362 294 H ILE 38 HN ILE 38 142.777 -3.964 -6.827 295 HA ILE 38 HA ILE 38 141.615 -3.664 -4.198 296 HB ILE 38 HB ILE 38 139.922 -5.522 -4.695 297 1HG1 ILE 38 HG12 ILE 38 139.862 -4.504 -7.493 298 2HG1 ILE 38 HG11 ILE 38 141.091 -5.701 -7.097 299 1HG2 ILE 38 HG21 ILE 38 139.687 -2.836 -4.589 300 2HG2 ILE 38 HG22 ILE 38 138.326 -3.941 -4.771 301 3HG2 ILE 38 HG23 ILE 38 139.022 -3.157 -6.190 302 1HD1 ILE 38 HD11 ILE 38 139.118 -6.763 -8.001 303 2HD1 ILE 38 HD12 ILE 38 138.121 -6.024 -6.747 304 3HD1 ILE 38 HD13 ILE 38 139.342 -7.220 -6.313 305 H LYS 39 HN LYS 39 141.093 -6.817 -5.270 306 HA LYS 39 HA LYS 39 142.143 -8.796 -4.983 307 1HB LYS 39 HB2 LYS 39 144.314 -6.973 -5.686 308 2HB LYS 39 HB1 LYS 39 144.846 -8.340 -4.714 309 1HG LYS 39 HG2 LYS 39 145.089 -9.042 -6.927 310 2HG LYS 39 HG1 LYS 39 143.595 -9.803 -6.377 311 1HD LYS 39 HD2 LYS 39 142.260 -8.225 -7.544 312 2HD LYS 39 HD1 LYS 39 143.651 -7.188 -7.867 313 1HE LYS 39 HE2 LYS 39 143.191 -8.329 -9.887 314 2HE LYS 39 HE1 LYS 39 144.615 -9.104 -9.195 315 1HZ LYS 39 HZ1 LYS 39 141.950 -10.166 -9.618 316 2HZ LYS 39 HZ2 LYS 39 142.667 -10.589 -8.147 317 3HZ LYS 39 HZ3 LYS 39 143.444 -10.961 -9.601 318 HA PRO 40 HA PRO 40 142.647 -9.667 -0.728 319 1HB PRO 40 HB2 PRO 40 145.002 -11.175 -0.687 320 2HB PRO 40 HB1 PRO 40 143.373 -11.799 -0.953 321 1HG PRO 40 HG2 PRO 40 145.486 -11.110 -2.940 322 2HG PRO 40 HG1 PRO 40 144.310 -12.438 -2.962 323 1HD PRO 40 HD2 PRO 40 143.981 -10.278 -4.499 324 2HD PRO 40 HD1 PRO 40 142.593 -11.068 -3.723 325 H CYS 41 HN CYS 41 143.096 -7.451 -0.220 326 HA CYS 41 HA CYS 41 145.790 -6.486 -0.076 327 1HB CYS 41 HB2 CYS 41 144.815 -4.533 1.012 328 2HB CYS 41 HB1 CYS 41 143.866 -4.983 -0.399 329 HG CYS 41 HG CYS 41 142.170 -4.518 1.450 330 H MET 42 HN MET 42 146.067 -5.265 2.319 331 HA MET 42 HA MET 42 145.459 -6.773 4.600 332 1HB MET 42 HB2 MET 42 147.105 -8.283 3.218 333 2HB MET 42 HB1 MET 42 148.330 -7.209 3.879 334 1HG MET 42 HG2 MET 42 146.721 -7.930 6.046 335 2HG MET 42 HG1 MET 42 146.958 -9.407 5.117 336 1HE MET 42 HE1 MET 42 150.518 -10.341 5.442 337 2HE MET 42 HE2 MET 42 150.068 -9.370 4.039 338 3HE MET 42 HE3 MET 42 148.941 -10.564 4.684 339 H LYS 43 HN LYS 43 146.097 -5.748 6.453 340 HA LYS 43 HA LYS 43 147.799 -3.356 6.124 341 1HB LYS 43 HB2 LYS 43 145.154 -3.311 6.733 342 2HB LYS 43 HB1 LYS 43 145.845 -3.398 8.345 343 1HG LYS 43 HG2 LYS 43 147.380 -1.460 7.316 344 2HG LYS 43 HG1 LYS 43 145.912 -1.211 6.369 345 1HD LYS 43 HD2 LYS 43 144.867 -0.281 8.104 346 2HD LYS 43 HD1 LYS 43 145.275 -1.642 9.150 347 1HE LYS 43 HE2 LYS 43 147.569 0.052 8.609 348 2HE LYS 43 HE1 LYS 43 146.242 0.948 9.348 349 1HZ LYS 43 HZ1 LYS 43 148.029 -0.411 10.748 350 2HZ LYS 43 HZ2 LYS 43 146.875 -1.630 10.536 351 3HZ LYS 43 HZ3 LYS 43 146.440 -0.172 11.277 352 H LYS 44 HN LYS 44 148.621 -2.602 8.370 353 HA LYS 44 HA LYS 44 149.035 -4.642 10.346 354 1HB LYS 44 HB2 LYS 44 150.779 -4.746 8.227 355 2HB LYS 44 HB1 LYS 44 151.653 -3.737 9.371 356 1HG LYS 44 HG2 LYS 44 152.163 -5.477 10.655 357 2HG LYS 44 HG1 LYS 44 150.496 -6.059 10.655 358 1HD LYS 44 HD2 LYS 44 150.896 -7.555 9.024 359 2HD LYS 44 HD1 LYS 44 151.912 -6.435 8.113 360 1HE LYS 44 HE2 LYS 44 153.364 -8.154 8.765 361 2HE LYS 44 HE1 LYS 44 153.677 -6.850 9.910 362 1HZ LYS 44 HZ1 LYS 44 153.233 -9.356 10.645 363 2HZ LYS 44 HZ2 LYS 44 151.644 -8.779 10.684 364 3HZ LYS 44 HZ3 LYS 44 152.838 -8.029 11.619 365 H THR 45 HN THR 45 150.745 -3.803 12.006 366 HA THR 45 HA THR 45 151.209 -1.033 12.111 367 HB THR 45 HB THR 45 149.036 -0.571 12.702 368 HG1 THR 45 HG1 THR 45 150.094 0.274 14.393 369 1HG2 THR 45 HG21 THR 45 148.171 -2.278 14.698 370 2HG2 THR 45 HG22 THR 45 148.932 -3.333 13.508 371 3HG2 THR 45 HG23 THR 45 147.633 -2.244 13.018 372 H ILE 46 HN ILE 46 152.550 -0.399 13.769 373 HA ILE 46 HA ILE 46 153.478 -2.493 15.612 374 HB ILE 46 HB ILE 46 155.270 -0.650 14.027 375 1HG1 ILE 46 HG12 ILE 46 156.068 -3.080 13.279 376 2HG1 ILE 46 HG11 ILE 46 154.389 -3.467 13.645 377 1HG2 ILE 46 HG21 ILE 46 156.903 -1.122 15.450 378 2HG2 ILE 46 HG22 ILE 46 156.599 -2.854 15.306 379 3HG2 ILE 46 HG23 ILE 46 155.710 -1.897 16.494 380 1HD1 ILE 46 HD11 ILE 46 153.579 -2.178 11.942 381 2HD1 ILE 46 HD12 ILE 46 155.099 -2.744 11.248 382 3HD1 ILE 46 HD13 ILE 46 154.990 -1.118 11.926 383 H TYR 47 HN TYR 47 152.375 -1.439 17.301 384 HA TYR 47 HA TYR 47 153.346 1.253 17.959 385 1HB TYR 47 HB2 TYR 47 151.424 1.338 19.541 386 2HB TYR 47 HB1 TYR 47 150.927 1.105 17.867 387 HD1 TYR 47 HD1 TYR 47 149.860 -0.933 17.161 388 HD2 TYR 47 HD2 TYR 47 151.244 -0.498 21.161 389 HE1 TYR 47 HE1 TYR 47 148.578 -2.926 17.815 390 HE2 TYR 47 HE2 TYR 47 149.967 -2.491 21.825 391 HH TYR 47 HH TYR 47 148.708 -4.678 19.653 392 H GLU 48 HN GLU 48 154.217 1.702 19.999 393 HA GLU 48 HA GLU 48 155.634 -0.464 21.194 394 1HB GLU 48 HB2 GLU 48 156.361 2.007 20.940 395 2HB GLU 48 HB1 GLU 48 155.441 2.258 22.415 396 1HG GLU 48 HG2 GLU 48 157.312 1.751 23.493 397 2HG GLU 48 HG1 GLU 48 156.990 0.081 23.032 398 H ASN 49 HN ASN 49 153.633 1.933 22.760 399 HA ASN 49 HA ASN 49 151.796 0.199 23.954 400 1HB ASN 49 HB2 ASN 49 154.281 -0.090 25.139 401 2HB ASN 49 HB1 ASN 49 153.457 1.037 26.212 402 1HD2 ASN 49 HD21 ASN 49 152.607 -1.878 24.365 403 2HD2 ASN 49 HD22 ASN 49 151.807 -2.677 25.672 404 H GLU 50 HN GLU 50 153.773 2.998 24.919 405 HA GLU 50 HA GLU 50 151.321 4.440 25.622 406 1HB GLU 50 HB2 GLU 50 154.139 5.379 26.124 407 2HB GLU 50 HB1 GLU 50 152.662 5.897 26.924 408 1HG GLU 50 HG2 GLU 50 153.145 4.470 28.543 409 2HG GLU 50 HG1 GLU 50 152.792 3.167 27.407 410 H ARG 51 HN ARG 51 152.080 3.950 22.876 411 HA ARG 51 HA ARG 51 152.060 5.050 20.888 412 1HB ARG 51 HB2 ARG 51 151.851 7.662 22.370 413 2HB ARG 51 HB1 ARG 51 151.249 7.263 20.767 414 1HG ARG 51 HG2 ARG 51 149.634 5.696 21.846 415 2HG ARG 51 HG1 ARG 51 150.162 6.323 23.409 416 1HD ARG 51 HD2 ARG 51 148.161 7.474 22.751 417 2HD ARG 51 HD1 ARG 51 149.515 8.597 22.657 418 HE ARG 51 HE ARG 51 147.956 7.538 20.446 419 1HH1 ARG 51 HH11 ARG 51 150.796 9.308 21.453 420 2HH1 ARG 51 HH12 ARG 51 151.020 10.063 19.913 421 1HH2 ARG 51 HH21 ARG 51 148.259 8.527 18.422 422 2HH2 ARG 51 HH22 ARG 51 149.583 9.620 18.193 423 H GLU 52 HN GLU 52 154.496 4.334 21.820 424 HA GLU 52 HA GLU 52 156.271 6.619 21.671 425 1HB GLU 52 HB2 GLU 52 157.089 3.728 21.813 426 2HB GLU 52 HB1 GLU 52 158.036 5.138 22.262 427 1HG GLU 52 HG2 GLU 52 155.561 4.980 23.756 428 2HG GLU 52 HG1 GLU 52 156.549 3.533 23.949 429 H ILE 53 HN ILE 53 154.997 4.241 19.594 430 HA ILE 53 HA ILE 53 156.586 5.310 17.413 431 HB ILE 53 HB ILE 53 157.884 3.417 17.779 432 1HG1 ILE 53 HG12 ILE 53 155.819 2.657 15.701 433 2HG1 ILE 53 HG11 ILE 53 157.283 3.591 15.431 434 1HG2 ILE 53 HG21 ILE 53 157.238 1.647 18.928 435 2HG2 ILE 53 HG22 ILE 53 155.971 1.268 17.762 436 3HG2 ILE 53 HG23 ILE 53 155.654 2.403 19.073 437 1HD1 ILE 53 HD11 ILE 53 158.624 1.629 16.016 438 2HD1 ILE 53 HD12 ILE 53 157.552 1.321 14.651 439 3HD1 ILE 53 HD13 ILE 53 157.144 0.700 16.250 440 H LYS 54 HN LYS 54 154.494 2.530 17.414 441 HA LYS 54 HA LYS 54 152.491 2.080 16.438 442 1HB LYS 54 HB2 LYS 54 152.038 4.399 17.695 443 2HB LYS 54 HB1 LYS 54 151.825 4.948 16.039 444 1HG LYS 54 HG2 LYS 54 149.776 4.119 16.005 445 2HG LYS 54 HG1 LYS 54 150.401 2.508 16.362 446 1HD LYS 54 HD2 LYS 54 150.045 2.731 18.633 447 2HD LYS 54 HD1 LYS 54 150.098 4.493 18.573 448 1HE LYS 54 HE2 LYS 54 147.885 2.760 17.479 449 2HE LYS 54 HE1 LYS 54 147.830 3.659 18.996 450 1HZ LYS 54 HZ1 LYS 54 148.454 5.609 17.313 451 2HZ LYS 54 HZ2 LYS 54 146.857 5.187 17.681 452 3HZ LYS 54 HZ3 LYS 54 147.577 4.615 16.262 453 H GLY 55 HN GLY 55 154.078 1.473 14.669 454 1HA GLY 55 HA2 GLY 55 153.781 3.253 12.326 455 2HA GLY 55 HA1 GLY 55 154.995 1.991 12.482 456 H TYR 56 HN TYR 56 152.213 2.782 10.900 457 HA TYR 56 HA TYR 56 151.444 -0.049 10.673 458 1HB TYR 56 HB2 TYR 56 149.216 0.962 9.827 459 2HB TYR 56 HB1 TYR 56 149.552 0.952 11.554 460 HD1 TYR 56 HD1 TYR 56 149.108 3.037 8.591 461 HD2 TYR 56 HD2 TYR 56 150.114 3.035 12.726 462 HE1 TYR 56 HE1 TYR 56 148.727 5.463 8.680 463 HE2 TYR 56 HE2 TYR 56 149.735 5.462 12.823 464 HH TYR 56 HH TYR 56 148.063 7.151 10.668 465 H GLU 57 HN GLU 57 151.372 -1.022 8.785 466 HA GLU 57 HA GLU 57 152.129 0.561 6.425 467 1HB GLU 57 HB2 GLU 57 153.136 -1.438 5.517 468 2HB GLU 57 HB1 GLU 57 153.759 -1.170 7.138 469 1HG GLU 57 HG2 GLU 57 151.622 -2.790 7.622 470 2HG GLU 57 HG1 GLU 57 152.193 -3.388 6.066 471 H TYR 58 HN TYR 58 150.919 0.513 4.633 472 HA TYR 58 HA TYR 58 148.420 -1.055 4.730 473 1HB TYR 58 HB2 TYR 58 148.783 1.670 4.457 474 2HB TYR 58 HB1 TYR 58 148.564 1.148 2.794 475 HD1 TYR 58 HD1 TYR 58 146.423 0.633 1.966 476 HD2 TYR 58 HD2 TYR 58 146.994 1.114 6.153 477 HE1 TYR 58 HE1 TYR 58 143.985 0.632 2.290 478 HE2 TYR 58 HE2 TYR 58 144.557 1.111 6.492 479 HH TYR 58 HH TYR 58 142.341 1.344 3.868 480 H GLN 59 HN GLN 59 148.672 -2.859 3.527 481 HA GLN 59 HA GLN 59 150.147 -2.678 0.995 482 1HB GLN 59 HB2 GLN 59 150.190 -4.581 3.027 483 2HB GLN 59 HB1 GLN 59 149.263 -5.345 1.744 484 1HG GLN 59 HG2 GLN 59 151.049 -5.568 0.405 485 2HG GLN 59 HG1 GLN 59 151.730 -4.011 0.878 486 1HE2 GLN 59 HE21 GLN 59 152.223 -7.239 0.962 487 2HE2 GLN 59 HE22 GLN 59 153.270 -7.347 2.331 488 H LEU 60 HN LEU 60 149.108 -2.787 -0.918 489 HA LEU 60 HA LEU 60 146.477 -3.974 -1.038 490 1HB LEU 60 HB2 LEU 60 146.770 -1.236 -0.845 491 2HB LEU 60 HB1 LEU 60 146.584 -1.500 -2.567 492 HG LEU 60 HG LEU 60 144.425 -1.047 -1.704 493 1HD1 LEU 60 HD11 LEU 60 143.209 -2.891 -2.439 494 2HD1 LEU 60 HD12 LEU 60 144.434 -4.032 -1.888 495 3HD1 LEU 60 HD13 LEU 60 144.747 -3.013 -3.290 496 1HD2 LEU 60 HD21 LEU 60 145.351 -2.677 0.550 497 2HD2 LEU 60 HD22 LEU 60 143.668 -2.937 0.089 498 3HD2 LEU 60 HD23 LEU 60 144.227 -1.319 0.513 499 H TYR 61 HN TYR 61 145.843 -4.717 -3.090 500 HA TYR 61 HA TYR 61 148.053 -4.899 -5.017 501 1HB TYR 61 HB2 TYR 61 145.768 -6.669 -4.289 502 2HB TYR 61 HB1 TYR 61 146.370 -6.734 -5.944 503 HD1 TYR 61 HD1 TYR 61 148.174 -8.113 -6.448 504 HD2 TYR 61 HD2 TYR 61 147.537 -6.942 -2.407 505 HE1 TYR 61 HE1 TYR 61 149.969 -9.633 -5.729 506 HE2 TYR 61 HE2 TYR 61 149.332 -8.457 -1.678 507 HH TYR 61 HH TYR 61 150.501 -10.428 -2.444 508 H VAL 62 HN VAL 62 147.838 -3.094 -6.257 509 HA VAL 62 HA VAL 62 145.285 -2.160 -7.165 510 HB VAL 62 HB VAL 62 147.042 -0.557 -6.702 511 1HG1 VAL 62 HG11 VAL 62 148.657 -1.090 -9.074 512 2HG1 VAL 62 HG12 VAL 62 148.742 -2.364 -7.859 513 3HG1 VAL 62 HG13 VAL 62 149.151 -0.705 -7.426 514 1HG2 VAL 62 HG21 VAL 62 146.271 0.831 -8.270 515 2HG2 VAL 62 HG22 VAL 62 145.413 -0.559 -8.933 516 3HG2 VAL 62 HG23 VAL 62 146.994 -0.112 -9.572 517 H TYR 63 HN TYR 63 144.385 -3.824 -8.414 518 HA TYR 63 HA TYR 63 145.845 -4.759 -10.753 519 1HB TYR 63 HB2 TYR 63 144.418 -6.332 -9.486 520 2HB TYR 63 HB1 TYR 63 143.010 -5.348 -9.867 521 HD1 TYR 63 HD1 TYR 63 145.376 -7.815 -11.112 522 HD2 TYR 63 HD2 TYR 63 142.130 -5.277 -12.167 523 HE1 TYR 63 HE1 TYR 63 145.055 -9.099 -13.184 524 HE2 TYR 63 HE2 TYR 63 141.798 -6.552 -14.242 525 HH TYR 63 HH TYR 63 143.440 -8.067 -15.754 526 H ALA 64 HN ALA 64 146.086 -2.821 -11.926 527 HA ALA 64 HA ALA 64 143.576 -1.667 -12.953 528 1HB ALA 64 HB1 ALA 64 146.011 -0.468 -11.972 529 2HB ALA 64 HB2 ALA 64 144.439 0.268 -12.290 530 3HB ALA 64 HB3 ALA 64 145.617 0.104 -13.593 531 H SER 65 HN SER 65 144.403 -0.301 -15.105 532 HA SER 65 HA SER 65 144.319 -2.066 -17.193 533 1HB SER 65 HB2 SER 65 144.396 0.660 -16.977 534 2HB SER 65 HB1 SER 65 145.929 0.327 -17.783 535 HG SER 65 HG SER 65 144.578 -1.029 -19.236 536 H ASP 66 HN ASP 66 147.096 -1.134 -15.325 537 HA ASP 66 HA ASP 66 148.973 -2.229 -17.178 538 1HB ASP 66 HB2 ASP 66 149.392 -1.255 -14.354 539 2HB ASP 66 HB1 ASP 66 150.665 -1.649 -15.504 540 H LYS 67 HN LYS 67 146.862 -3.957 -15.993 541 HA LYS 67 HA LYS 67 146.694 -6.154 -15.448 542 1HB LYS 67 HB2 LYS 67 149.462 -5.899 -16.181 543 2HB LYS 67 HB1 LYS 67 149.315 -6.996 -14.816 544 1HG LYS 67 HG2 LYS 67 147.275 -7.642 -16.677 545 2HG LYS 67 HG1 LYS 67 148.795 -7.487 -17.560 546 1HD LYS 67 HD2 LYS 67 149.732 -9.281 -16.528 547 2HD LYS 67 HD1 LYS 67 148.881 -8.988 -15.009 548 1HE LYS 67 HE2 LYS 67 147.482 -9.970 -17.483 549 2HE LYS 67 HE1 LYS 67 148.225 -11.068 -16.321 550 1HZ LYS 67 HZ1 LYS 67 146.130 -10.968 -15.483 551 2HZ LYS 67 HZ2 LYS 67 145.842 -9.397 -16.040 552 3HZ LYS 67 HZ3 LYS 67 146.788 -9.643 -14.660 553 H LEU 68 HN LEU 68 147.933 -7.706 -13.592 554 HA LEU 68 HA LEU 68 146.941 -6.609 -11.171 555 1HB LEU 68 HB2 LEU 68 147.670 -8.676 -10.144 556 2HB LEU 68 HB1 LEU 68 146.868 -9.003 -11.667 557 HG LEU 68 HG LEU 68 149.601 -8.788 -12.288 558 1HD1 LEU 68 HD11 LEU 68 150.138 -10.888 -10.674 559 2HD1 LEU 68 HD12 LEU 68 149.152 -9.893 -9.602 560 3HD1 LEU 68 HD13 LEU 68 150.612 -9.223 -10.331 561 1HD2 LEU 68 HD21 LEU 68 147.539 -10.380 -12.951 562 2HD2 LEU 68 HD22 LEU 68 148.445 -11.475 -11.907 563 3HD2 LEU 68 HD23 LEU 68 149.220 -10.759 -13.320 564 H PHE 69 HN PHE 69 147.922 -5.095 -10.038 565 HA PHE 69 HA PHE 69 150.837 -5.273 -9.661 566 1HB PHE 69 HB2 PHE 69 149.115 -2.891 -10.259 567 2HB PHE 69 HB1 PHE 69 150.584 -2.683 -9.319 568 HD1 PHE 69 HD1 PHE 69 151.625 -5.225 -11.243 569 HD2 PHE 69 HD2 PHE 69 150.340 -1.194 -11.721 570 HE1 PHE 69 HE1 PHE 69 152.918 -5.064 -13.325 571 HE2 PHE 69 HE2 PHE 69 151.633 -1.029 -13.806 572 HZ PHE 69 HZ PHE 69 152.923 -2.966 -14.611 573 H ARG 70 HN ARG 70 151.402 -3.726 -7.663 574 HA ARG 70 HA ARG 70 149.433 -3.730 -5.613 575 1HB ARG 70 HB2 ARG 70 150.122 -6.071 -5.537 576 2HB ARG 70 HB1 ARG 70 151.801 -5.576 -5.362 577 1HG ARG 70 HG2 ARG 70 150.816 -4.297 -3.262 578 2HG ARG 70 HG1 ARG 70 149.598 -5.569 -3.378 579 1HD ARG 70 HD2 ARG 70 151.390 -6.242 -1.884 580 2HD ARG 70 HD1 ARG 70 151.372 -7.260 -3.325 581 HE ARG 70 HE ARG 70 153.151 -5.258 -3.895 582 1HH1 ARG 70 HH11 ARG 70 152.845 -7.666 -1.388 583 2HH1 ARG 70 HH12 ARG 70 154.551 -7.798 -1.132 584 1HH2 ARG 70 HH21 ARG 70 155.397 -5.428 -3.558 585 2HH2 ARG 70 HH22 ARG 70 156.002 -6.527 -2.363 586 H ALA 71 HN ALA 71 149.806 -2.202 -4.127 587 HA ALA 71 HA ALA 71 152.452 -0.910 -4.185 588 1HB ALA 71 HB1 ALA 71 151.078 1.064 -3.198 589 2HB ALA 71 HB2 ALA 71 149.689 0.196 -3.854 590 3HB ALA 71 HB3 ALA 71 150.984 0.728 -4.928 591 H ASP 72 HN ASP 72 153.110 0.123 -2.060 592 HA ASP 72 HA ASP 72 151.884 -1.243 0.227 593 1HB ASP 72 HB2 ASP 72 154.077 -2.348 -0.825 594 2HB ASP 72 HB1 ASP 72 154.861 -1.139 0.186 595 H ILE 73 HN ILE 73 151.461 0.160 1.761 596 HA ILE 73 HA ILE 73 152.958 2.686 1.848 597 HB ILE 73 HB ILE 73 150.436 2.219 3.398 598 1HG1 ILE 73 HG12 ILE 73 150.584 3.022 0.483 599 2HG1 ILE 73 HG11 ILE 73 149.878 1.540 1.117 600 1HG2 ILE 73 HG21 ILE 73 151.873 4.233 3.738 601 2HG2 ILE 73 HG22 ILE 73 150.211 4.592 3.268 602 3HG2 ILE 73 HG23 ILE 73 151.509 4.705 2.078 603 1HD1 ILE 73 HD11 ILE 73 148.748 3.957 2.291 604 2HD1 ILE 73 HD12 ILE 73 147.948 2.543 1.603 605 3HD1 ILE 73 HD13 ILE 73 148.517 3.834 0.546 606 H SER 74 HN SER 74 153.859 3.406 3.782 607 HA SER 74 HA SER 74 153.663 1.687 6.125 608 1HB SER 74 HB2 SER 74 155.963 1.220 6.322 609 2HB SER 74 HB1 SER 74 155.623 0.941 4.615 610 HG SER 74 HG SER 74 156.336 3.191 4.322 611 H GLU 75 HN GLU 75 153.883 2.728 8.012 612 HA GLU 75 HA GLU 75 154.894 5.463 7.988 613 1HB GLU 75 HB2 GLU 75 152.691 6.074 7.819 614 2HB GLU 75 HB1 GLU 75 152.100 4.572 8.493 615 1HG GLU 75 HG2 GLU 75 152.246 5.326 10.635 616 2HG GLU 75 HG1 GLU 75 153.510 6.493 10.255 617 H ASP 76 HN ASP 76 156.451 5.419 9.593 618 HA ASP 76 HA ASP 76 155.774 3.952 12.010 619 1HB ASP 76 HB2 ASP 76 158.458 3.919 10.647 620 2HB ASP 76 HB1 ASP 76 158.109 3.183 12.206 621 H TYR 77 HN TYR 77 157.752 4.404 13.640 622 HA TYR 77 HA TYR 77 158.278 7.285 13.691 623 1HB TYR 77 HB2 TYR 77 156.616 5.737 15.552 624 2HB TYR 77 HB1 TYR 77 157.856 6.705 16.346 625 HD1 TYR 77 HD1 TYR 77 157.156 8.770 17.062 626 HD2 TYR 77 HD2 TYR 77 155.421 7.141 13.537 627 HE1 TYR 77 HE1 TYR 77 155.733 10.766 16.848 628 HE2 TYR 77 HE2 TYR 77 153.995 9.132 13.311 629 HH TYR 77 HH TYR 77 153.074 10.957 15.163 630 H LYS 78 HN LYS 78 159.952 7.815 15.384 631 HA LYS 78 HA LYS 78 161.945 7.459 16.460 632 1HB LYS 78 HB2 LYS 78 160.732 5.098 16.943 633 2HB LYS 78 HB1 LYS 78 162.040 4.543 15.907 634 1HG LYS 78 HG2 LYS 78 162.774 4.358 18.155 635 2HG LYS 78 HG1 LYS 78 163.637 5.715 17.429 636 1HD LYS 78 HD2 LYS 78 161.575 7.062 18.418 637 2HD LYS 78 HD1 LYS 78 161.544 5.696 19.536 638 1HE LYS 78 HE2 LYS 78 164.190 6.898 19.028 639 2HE LYS 78 HE1 LYS 78 163.042 7.907 19.906 640 1HZ LYS 78 HZ1 LYS 78 162.937 6.419 21.650 641 2HZ LYS 78 HZ2 LYS 78 164.569 6.326 21.214 642 3HZ LYS 78 HZ3 LYS 78 163.495 5.113 20.728 643 H THR 79 HN THR 79 162.359 8.570 14.348 644 HA THR 79 HA THR 79 163.957 8.949 12.739 645 HB THR 79 HB THR 79 164.845 6.097 12.681 646 HG1 THR 79 HG1 THR 79 165.256 7.896 14.820 647 1HG2 THR 79 HG21 THR 79 166.066 8.756 12.225 648 2HG2 THR 79 HG22 THR 79 166.237 7.254 11.316 649 3HG2 THR 79 HG23 THR 79 167.093 7.462 12.844 650 H ARG 80 HN ARG 80 161.226 7.741 12.504 651 HA ARG 80 HA ARG 80 161.407 6.601 9.844 652 1HB ARG 80 HB2 ARG 80 159.132 6.429 11.792 653 2HB ARG 80 HB1 ARG 80 159.236 5.606 10.245 654 1HG ARG 80 HG2 ARG 80 161.288 5.135 12.373 655 2HG ARG 80 HG1 ARG 80 159.742 4.287 12.397 656 1HD ARG 80 HD2 ARG 80 160.408 2.880 10.807 657 2HD ARG 80 HD1 ARG 80 160.922 4.208 9.766 658 HE ARG 80 HE ARG 80 162.810 3.784 11.830 659 1HH1 ARG 80 HH11 ARG 80 161.670 2.393 8.838 660 2HH1 ARG 80 HH12 ARG 80 163.184 1.638 8.467 661 1HH2 ARG 80 HH21 ARG 80 164.802 2.792 11.343 662 2HH2 ARG 80 HH22 ARG 80 164.961 1.864 9.889 663 H GLY 81 HN GLY 81 158.945 6.950 8.922 664 1HA GLY 81 HA2 GLY 81 158.244 9.775 9.183 665 2HA GLY 81 HA1 GLY 81 158.693 9.183 7.588 666 H ARG 82 HN ARG 82 157.163 8.365 6.355 667 HA ARG 82 HA ARG 82 155.226 6.622 6.715 668 1HB ARG 82 HB2 ARG 82 154.027 7.455 8.469 669 2HB ARG 82 HB1 ARG 82 154.469 9.113 8.123 670 1HG ARG 82 HG2 ARG 82 152.026 8.513 7.936 671 2HG ARG 82 HG1 ARG 82 152.733 9.372 6.575 672 1HD ARG 82 HD2 ARG 82 153.059 6.663 5.980 673 2HD ARG 82 HD1 ARG 82 151.443 6.793 6.669 674 HE ARG 82 HE ARG 82 152.202 7.590 4.097 675 1HH1 ARG 82 HH11 ARG 82 150.304 8.731 6.795 676 2HH1 ARG 82 HH12 ARG 82 149.244 9.676 5.806 677 1HH2 ARG 82 HH21 ARG 82 150.805 8.829 2.798 678 2HH2 ARG 82 HH22 ARG 82 149.526 9.730 3.539 679 H LYS 83 HN LYS 83 154.708 6.218 4.694 680 HA LYS 83 HA LYS 83 153.566 8.125 2.966 681 1HB LYS 83 HB2 LYS 83 155.465 8.133 1.278 682 2HB LYS 83 HB1 LYS 83 155.660 9.137 2.709 683 1HG LYS 83 HG2 LYS 83 157.469 8.024 3.366 684 2HG LYS 83 HG1 LYS 83 156.705 6.457 3.094 685 1HD LYS 83 HD2 LYS 83 158.220 6.255 1.444 686 2HD LYS 83 HD1 LYS 83 157.120 7.299 0.541 687 1HE LYS 83 HE2 LYS 83 158.423 9.250 1.544 688 2HE LYS 83 HE1 LYS 83 159.627 8.053 2.015 689 1HZ LYS 83 HZ1 LYS 83 159.636 9.332 -0.323 690 2HZ LYS 83 HZ2 LYS 83 158.777 7.940 -0.754 691 3HZ LYS 83 HZ3 LYS 83 160.326 7.805 -0.089 692 H LEU 84 HN LEU 84 153.192 7.406 0.795 693 HA LEU 84 HA LEU 84 153.001 4.476 0.616 694 1HB LEU 84 HB2 LEU 84 151.574 5.965 -1.439 695 2HB LEU 84 HB1 LEU 84 150.982 4.735 -0.342 696 HG LEU 84 HG LEU 84 151.186 6.905 1.320 697 1HD1 LEU 84 HD11 LEU 84 150.821 8.867 0.290 698 2HD1 LEU 84 HD12 LEU 84 149.783 8.146 -0.941 699 3HD1 LEU 84 HD13 LEU 84 151.538 8.059 -1.104 700 1HD2 LEU 84 HD21 LEU 84 149.008 5.569 -0.176 701 2HD2 LEU 84 HD22 LEU 84 148.629 7.100 0.615 702 3HD2 LEU 84 HD23 LEU 84 149.250 5.748 1.561 703 H LEU 85 HN LEU 85 154.031 3.410 -1.072 704 HA LEU 85 HA LEU 85 155.209 5.027 -3.202 705 1HB LEU 85 HB2 LEU 85 157.388 3.577 -2.571 706 2HB LEU 85 HB1 LEU 85 157.095 5.209 -2.000 707 HG LEU 85 HG LEU 85 156.218 2.801 -0.414 708 1HD1 LEU 85 HD11 LEU 85 158.262 2.748 0.735 709 2HD1 LEU 85 HD12 LEU 85 158.793 4.283 0.047 710 3HD1 LEU 85 HD13 LEU 85 158.719 2.841 -0.965 711 1HD2 LEU 85 HD21 LEU 85 155.274 4.458 0.760 712 2HD2 LEU 85 HD22 LEU 85 156.202 5.706 -0.068 713 3HD2 LEU 85 HD23 LEU 85 156.906 4.842 1.300 714 H ARG 86 HN ARG 86 155.999 1.778 -2.011 715 HA ARG 86 HA ARG 86 156.498 0.364 -4.146 716 1HB ARG 86 HB2 ARG 86 154.922 -0.300 -1.742 717 2HB ARG 86 HB1 ARG 86 154.786 -1.437 -3.078 718 1HG ARG 86 HG2 ARG 86 157.520 -0.860 -2.813 719 2HG ARG 86 HG1 ARG 86 156.901 -1.103 -1.179 720 1HD ARG 86 HD2 ARG 86 157.297 -3.273 -1.662 721 2HD ARG 86 HD1 ARG 86 155.710 -3.161 -2.422 722 HE ARG 86 HE ARG 86 157.318 -2.483 -4.443 723 1HH1 ARG 86 HH11 ARG 86 157.485 -5.133 -2.175 724 2HH1 ARG 86 HH12 ARG 86 158.283 -6.195 -3.286 725 1HH2 ARG 86 HH21 ARG 86 158.366 -3.880 -5.901 726 2HH2 ARG 86 HH22 ARG 86 158.784 -5.485 -5.401 727 H PHE 87 HN PHE 87 155.592 -0.579 -5.923 728 HA PHE 87 HA PHE 87 152.770 -0.533 -6.425 729 1HB PHE 87 HB2 PHE 87 153.993 1.834 -6.975 730 2HB PHE 87 HB1 PHE 87 154.176 1.004 -8.517 731 HD1 PHE 87 HD1 PHE 87 152.295 0.575 -9.924 732 HD2 PHE 87 HD2 PHE 87 151.769 2.321 -6.079 733 HE1 PHE 87 HE1 PHE 87 149.981 1.167 -10.514 734 HE2 PHE 87 HE2 PHE 87 149.454 2.915 -6.661 735 HZ PHE 87 HZ PHE 87 148.557 2.338 -8.882 736 H ASN 88 HN ASN 88 154.271 -2.709 -6.363 737 HA ASN 88 HA ASN 88 154.391 -3.521 -9.172 738 1HB ASN 88 HB2 ASN 88 156.711 -2.938 -8.287 739 2HB ASN 88 HB1 ASN 88 156.547 -4.334 -7.224 740 1HD2 ASN 88 HD21 ASN 88 156.036 -6.406 -8.314 741 2HD2 ASN 88 HD22 ASN 88 156.788 -6.718 -9.839 742 H GLY 89 HN GLY 89 153.163 -5.259 -9.451 743 1HA GLY 89 HA2 GLY 89 152.595 -6.954 -7.111 744 2HA GLY 89 HA1 GLY 89 151.553 -6.786 -8.515 745 HA PRO 90 HA PRO 90 154.778 -10.317 -8.996 746 1HB PRO 90 HB2 PRO 90 153.757 -12.380 -7.600 747 2HB PRO 90 HB1 PRO 90 154.844 -11.196 -6.863 748 1HG PRO 90 HG2 PRO 90 151.860 -11.376 -6.717 749 2HG PRO 90 HG1 PRO 90 153.023 -11.024 -5.426 750 1HD PRO 90 HD2 PRO 90 151.593 -9.097 -6.729 751 2HD PRO 90 HD1 PRO 90 153.192 -8.812 -6.014 752 H VAL 91 HN VAL 91 154.280 -10.811 -11.052 753 HA VAL 91 HA VAL 91 151.612 -11.552 -11.843 754 HB VAL 91 HB VAL 91 153.041 -10.212 -13.332 755 1HG1 VAL 91 HG11 VAL 91 155.067 -11.850 -12.619 756 2HG1 VAL 91 HG12 VAL 91 155.090 -10.811 -14.044 757 3HG1 VAL 91 HG13 VAL 91 154.654 -12.513 -14.202 758 1HG2 VAL 91 HG21 VAL 91 151.510 -11.100 -14.718 759 2HG2 VAL 91 HG22 VAL 91 151.765 -12.738 -14.117 760 3HG2 VAL 91 HG23 VAL 91 152.866 -12.056 -15.313 Start of MODEL 12 1 1H GLY 1 HT1 GLY 1 153.760 -3.086 14.668 2 2H GLY 1 HT2 GLY 1 155.322 -3.468 14.146 3 3H GLY 1 HT3 GLY 1 154.400 -4.624 14.966 4 1HA GLY 1 HA1 GLY 1 153.205 -3.540 12.551 5 2HA GLY 1 HA2 GLY 1 154.630 -4.539 12.317 6 H GLU 2 HN GLU 2 151.326 -4.465 13.457 7 HA GLU 2 HA GLU 2 150.885 -7.167 12.719 8 1HB GLU 2 HB2 GLU 2 151.505 -6.568 15.559 9 2HB GLU 2 HB1 GLU 2 150.160 -7.660 15.255 10 1HG GLU 2 HG2 GLU 2 152.108 -8.639 13.598 11 2HG GLU 2 HG1 GLU 2 153.027 -8.097 15.002 12 H TRP 3 HN TRP 3 148.809 -7.368 12.188 13 HA TRP 3 HA TRP 3 146.631 -6.415 13.671 14 1HB TRP 3 HB2 TRP 3 147.637 -4.235 12.747 15 2HB TRP 3 HB1 TRP 3 147.036 -4.770 11.181 16 HD1 TRP 3 HD1 TRP 3 144.737 -3.826 10.614 17 HE1 TRP 3 HE1 TRP 3 142.695 -2.994 11.942 18 HE3 TRP 3 HE3 TRP 3 146.411 -4.766 15.351 19 HZ2 TRP 3 HZ2 TRP 3 141.898 -2.768 14.639 20 HZ3 TRP 3 HZ3 TRP 3 144.948 -4.212 17.252 21 HH2 TRP 3 HH2 TRP 3 142.739 -3.233 16.901 22 H GLU 4 HN GLU 4 147.857 -7.150 10.443 23 HA GLU 4 HA GLU 4 147.119 -8.556 8.817 24 1HB GLU 4 HB2 GLU 4 145.346 -9.584 11.037 25 2HB GLU 4 HB1 GLU 4 145.472 -10.331 9.452 26 1HG GLU 4 HG2 GLU 4 148.079 -9.940 10.606 27 2HG GLU 4 HG1 GLU 4 147.034 -10.845 11.698 28 H ILE 5 HN ILE 5 145.342 -8.930 7.342 29 HA ILE 5 HA ILE 5 143.864 -6.662 6.798 30 HB ILE 5 HB ILE 5 144.374 -8.346 5.104 31 1HG1 ILE 5 HG12 ILE 5 142.142 -8.406 3.995 32 2HG1 ILE 5 HG11 ILE 5 141.416 -7.845 5.498 33 1HG2 ILE 5 HG21 ILE 5 142.855 -10.064 6.934 34 2HG2 ILE 5 HG22 ILE 5 144.140 -10.468 5.798 35 3HG2 ILE 5 HG23 ILE 5 142.483 -10.287 5.226 36 1HD1 ILE 5 HD11 ILE 5 143.445 -6.023 4.960 37 2HD1 ILE 5 HD12 ILE 5 141.710 -5.783 4.758 38 3HD1 ILE 5 HD13 ILE 5 142.686 -6.346 3.402 39 H ILE 6 HN ILE 6 141.696 -6.114 6.998 40 HA ILE 6 HA ILE 6 140.105 -7.737 8.869 41 HB ILE 6 HB ILE 6 139.162 -5.545 9.731 42 1HG1 ILE 6 HG12 ILE 6 141.677 -4.474 8.429 43 2HG1 ILE 6 HG11 ILE 6 140.026 -4.098 7.946 44 1HG2 ILE 6 HG21 ILE 6 142.005 -5.573 10.515 45 2HG2 ILE 6 HG22 ILE 6 141.143 -7.106 10.653 46 3HG2 ILE 6 HG23 ILE 6 140.550 -5.680 11.506 47 1HD1 ILE 6 HD11 ILE 6 141.324 -3.388 10.564 48 2HD1 ILE 6 HD12 ILE 6 139.648 -3.053 10.133 49 3HD1 ILE 6 HD13 ILE 6 140.958 -2.288 9.235 50 H GLU 7 HN GLU 7 140.095 -5.259 6.345 51 HA GLU 7 HA GLU 7 137.327 -6.020 5.690 52 1HB GLU 7 HB2 GLU 7 138.802 -3.424 5.513 53 2HB GLU 7 HB1 GLU 7 137.500 -3.741 4.376 54 1HG GLU 7 HG2 GLU 7 137.288 -3.720 7.377 55 2HG GLU 7 HG1 GLU 7 136.678 -2.492 6.268 56 H ILE 8 HN ILE 8 137.008 -5.231 3.184 57 HA ILE 8 HA ILE 8 139.242 -6.171 1.567 58 HB ILE 8 HB ILE 8 137.921 -8.190 2.158 59 1HG1 ILE 8 HG12 ILE 8 139.215 -7.858 -0.020 60 2HG1 ILE 8 HG11 ILE 8 138.014 -9.143 -0.001 61 1HG2 ILE 8 HG21 ILE 8 135.719 -7.213 2.321 62 2HG2 ILE 8 HG22 ILE 8 135.712 -8.509 1.125 63 3HG2 ILE 8 HG23 ILE 8 135.732 -6.825 0.601 64 1HD1 ILE 8 HD11 ILE 8 136.686 -6.844 -0.909 65 2HD1 ILE 8 HD12 ILE 8 137.140 -8.275 -1.834 66 3HD1 ILE 8 HD13 ILE 8 138.237 -6.896 -1.747 67 H GLY 9 HN GLY 9 136.066 -4.686 1.773 68 1HA GLY 9 HA2 GLY 9 135.846 -4.012 -0.983 69 2HA GLY 9 HA1 GLY 9 134.925 -3.301 0.333 70 HA PRO 10 HA PRO 10 136.999 0.524 -0.498 71 1HB PRO 10 HB2 PRO 10 136.950 1.525 2.094 72 2HB PRO 10 HB1 PRO 10 135.644 1.685 0.913 73 1HG PRO 10 HG2 PRO 10 135.954 -0.271 3.147 74 2HG PRO 10 HG1 PRO 10 134.493 0.549 2.565 75 1HD PRO 10 HD2 PRO 10 134.987 -2.013 1.960 76 2HD PRO 10 HD1 PRO 10 134.229 -0.918 0.784 77 H PHE 11 HN PHE 11 137.988 -1.647 2.044 78 HA PHE 11 HA PHE 11 140.316 -0.559 2.975 79 1HB PHE 11 HB2 PHE 11 139.266 -2.692 3.729 80 2HB PHE 11 HB1 PHE 11 139.904 -3.474 2.289 81 HD1 PHE 11 HD1 PHE 11 140.557 -2.486 5.658 82 HD2 PHE 11 HD2 PHE 11 142.407 -3.532 1.976 83 HE1 PHE 11 HE1 PHE 11 142.651 -2.982 6.856 84 HE2 PHE 11 HE2 PHE 11 144.502 -4.035 3.164 85 HZ PHE 11 HZ PHE 11 144.627 -3.759 5.605 86 H THR 12 HN THR 12 140.143 -2.840 0.226 87 HA THR 12 HA THR 12 142.833 -2.418 -0.540 88 HB THR 12 HB THR 12 141.185 -3.269 -2.754 89 HG1 THR 12 HG1 THR 12 140.880 -4.790 -0.388 90 1HG2 THR 12 HG21 THR 12 143.518 -4.187 -1.280 91 2HG2 THR 12 HG22 THR 12 143.119 -4.340 -2.991 92 3HG2 THR 12 HG23 THR 12 142.470 -5.495 -1.826 93 H GLN 13 HN GLN 13 139.781 -1.283 -1.962 94 HA GLN 13 HA GLN 13 140.831 0.266 -3.996 95 1HB GLN 13 HB2 GLN 13 138.708 0.985 -4.335 96 2HB GLN 13 HB1 GLN 13 138.348 -0.331 -3.231 97 1HG GLN 13 HG2 GLN 13 137.097 1.359 -2.334 98 2HG GLN 13 HG1 GLN 13 138.585 1.514 -1.404 99 1HE2 GLN 13 HE21 GLN 13 137.209 2.654 -4.471 100 2HE2 GLN 13 HE22 GLN 13 137.761 4.283 -4.309 101 H ASN 14 HN ASN 14 140.821 0.895 -0.595 102 HA ASN 14 HA ASN 14 141.042 3.671 -0.614 103 1HB ASN 14 HB2 ASN 14 140.656 2.246 1.418 104 2HB ASN 14 HB1 ASN 14 142.361 1.809 1.365 105 1HD2 ASN 14 HD21 ASN 14 140.520 3.439 3.203 106 2HD2 ASN 14 HD22 ASN 14 141.438 4.869 3.512 107 H LEU 15 HN LEU 15 143.712 1.310 -0.239 108 HA LEU 15 HA LEU 15 145.826 3.063 -0.452 109 1HB LEU 15 HB2 LEU 15 145.809 0.481 -0.166 110 2HB LEU 15 HB1 LEU 15 145.906 0.439 -1.912 111 HG LEU 15 HG LEU 15 147.948 1.394 0.067 112 1HD1 LEU 15 HD11 LEU 15 148.702 -0.642 -0.423 113 2HD1 LEU 15 HD12 LEU 15 149.182 0.037 -1.978 114 3HD1 LEU 15 HD13 LEU 15 147.637 -0.799 -1.821 115 1HD2 LEU 15 HD21 LEU 15 147.845 3.228 -1.459 116 2HD2 LEU 15 HD22 LEU 15 147.786 2.141 -2.847 117 3HD2 LEU 15 HD23 LEU 15 149.256 2.257 -1.878 118 H GLY 16 HN GLY 16 143.790 1.723 -2.970 119 1HA GLY 16 HA2 GLY 16 145.154 2.465 -5.259 120 2HA GLY 16 HA1 GLY 16 143.403 2.440 -5.121 121 H LYS 17 HN LYS 17 142.947 4.469 -3.301 122 HA LYS 17 HA LYS 17 143.019 6.748 -4.931 123 1HB LYS 17 HB2 LYS 17 142.583 6.393 -1.970 124 2HB LYS 17 HB1 LYS 17 142.514 7.974 -2.735 125 1HG LYS 17 HG2 LYS 17 140.817 6.772 -4.336 126 2HG LYS 17 HG1 LYS 17 140.650 5.669 -2.967 127 1HD LYS 17 HD2 LYS 17 139.834 7.344 -1.563 128 2HD LYS 17 HD1 LYS 17 140.466 8.637 -2.584 129 1HE LYS 17 HE2 LYS 17 138.833 7.957 -4.339 130 2HE LYS 17 HE1 LYS 17 138.145 6.812 -3.189 131 1HZ LYS 17 HZ1 LYS 17 137.297 8.492 -1.889 132 2HZ LYS 17 HZ2 LYS 17 137.107 9.148 -3.437 133 3HZ LYS 17 HZ3 LYS 17 138.391 9.653 -2.456 134 H PHE 18 HN PHE 18 144.928 6.035 -2.009 135 HA PHE 18 HA PHE 18 146.635 8.271 -2.313 136 1HB PHE 18 HB2 PHE 18 146.715 5.783 -0.646 137 2HB PHE 18 HB1 PHE 18 148.124 6.836 -0.715 138 HD1 PHE 18 HD1 PHE 18 148.319 8.373 0.965 139 HD2 PHE 18 HD2 PHE 18 144.431 7.168 -0.275 140 HE1 PHE 18 HE1 PHE 18 147.325 9.815 2.695 141 HE2 PHE 18 HE2 PHE 18 143.428 8.608 1.451 142 HZ PHE 18 HZ PHE 18 144.877 9.933 2.938 143 H ALA 19 HN ALA 19 146.533 5.227 -3.813 144 HA ALA 19 HA ALA 19 149.226 4.756 -4.393 145 1HB ALA 19 HB1 ALA 19 146.723 3.664 -5.162 146 2HB ALA 19 HB2 ALA 19 148.328 2.955 -5.326 147 3HB ALA 19 HB3 ALA 19 147.665 3.945 -6.626 148 H VAL 20 HN VAL 20 146.990 5.743 -6.969 149 HA VAL 20 HA VAL 20 148.854 6.843 -8.660 150 HB VAL 20 HB VAL 20 146.519 6.484 -9.310 151 1HG1 VAL 20 HG11 VAL 20 144.766 8.033 -8.660 152 2HG1 VAL 20 HG12 VAL 20 145.907 8.934 -7.659 153 3HG1 VAL 20 HG13 VAL 20 145.474 7.277 -7.232 154 1HG2 VAL 20 HG21 VAL 20 146.480 8.127 -10.896 155 2HG2 VAL 20 HG22 VAL 20 148.140 8.305 -10.329 156 3HG2 VAL 20 HG23 VAL 20 146.888 9.402 -9.746 157 H ASP 21 HN ASP 21 147.302 8.352 -5.880 158 HA ASP 21 HA ASP 21 148.219 10.990 -6.396 159 1HB ASP 21 HB2 ASP 21 146.382 10.123 -4.742 160 2HB ASP 21 HB1 ASP 21 147.727 9.977 -3.615 161 H GLU 22 HN GLU 22 149.639 8.192 -4.872 162 HA GLU 22 HA GLU 22 151.948 9.769 -4.004 163 1HB GLU 22 HB2 GLU 22 150.922 7.042 -3.315 164 2HB GLU 22 HB1 GLU 22 152.616 7.426 -3.056 165 1HG GLU 22 HG2 GLU 22 151.053 7.721 -1.090 166 2HG GLU 22 HG1 GLU 22 152.127 9.065 -1.470 167 H GLU 23 HN GLU 23 150.935 7.887 -6.614 168 HA GLU 23 HA GLU 23 153.091 6.389 -7.405 169 1HB GLU 23 HB2 GLU 23 150.836 6.766 -8.583 170 2HB GLU 23 HB1 GLU 23 151.601 8.157 -9.336 171 1HG GLU 23 HG2 GLU 23 152.618 5.334 -9.536 172 2HG GLU 23 HG1 GLU 23 151.612 6.131 -10.744 173 H ASN 24 HN ASN 24 152.706 9.847 -7.430 174 HA ASN 24 HA ASN 24 154.820 10.588 -9.091 175 1HB ASN 24 HB2 ASN 24 153.308 11.893 -6.880 176 2HB ASN 24 HB1 ASN 24 154.803 12.654 -7.414 177 1HD2 ASN 24 HD21 ASN 24 152.020 11.062 -8.947 178 2HD2 ASN 24 HD22 ASN 24 151.744 12.301 -10.119 179 H LYS 25 HN LYS 25 154.832 9.383 -5.827 180 HA LYS 25 HA LYS 25 157.421 10.319 -5.114 181 1HB LYS 25 HB2 LYS 25 155.501 8.329 -3.992 182 2HB LYS 25 HB1 LYS 25 157.171 8.277 -3.448 183 1HG LYS 25 HG2 LYS 25 156.746 10.875 -3.123 184 2HG LYS 25 HG1 LYS 25 155.079 10.316 -2.970 185 1HD LYS 25 HD2 LYS 25 156.182 8.545 -1.358 186 2HD LYS 25 HD1 LYS 25 157.437 9.781 -1.230 187 1HE LYS 25 HE2 LYS 25 155.829 11.406 -0.479 188 2HE LYS 25 HE1 LYS 25 154.500 10.281 -0.760 189 1HZ LYS 25 HZ1 LYS 25 155.885 8.824 0.902 190 2HZ LYS 25 HZ2 LYS 25 154.812 10.004 1.464 191 3HZ LYS 25 HZ3 LYS 25 156.471 10.330 1.406 192 H ILE 26 HN ILE 26 156.849 6.846 -4.982 193 HA ILE 26 HA ILE 26 159.365 6.056 -5.688 194 HB ILE 26 HB ILE 26 157.648 4.521 -4.835 195 1HG1 ILE 26 HG12 ILE 26 158.171 2.586 -6.405 196 2HG1 ILE 26 HG11 ILE 26 159.015 3.754 -7.416 197 1HG2 ILE 26 HG21 ILE 26 156.171 3.479 -6.718 198 2HG2 ILE 26 HG22 ILE 26 156.414 5.038 -7.502 199 3HG2 ILE 26 HG23 ILE 26 155.663 4.961 -5.908 200 1HD1 ILE 26 HD11 ILE 26 159.820 3.849 -4.619 201 2HD1 ILE 26 HD12 ILE 26 160.799 3.775 -6.085 202 3HD1 ILE 26 HD13 ILE 26 160.127 2.298 -5.397 203 H GLY 27 HN GLY 27 156.797 7.083 -7.826 204 1HA GLY 27 HA2 GLY 27 158.396 6.345 -10.175 205 2HA GLY 27 HA1 GLY 27 156.702 6.807 -10.191 206 H GLN 28 HN GLN 28 157.838 8.060 -12.052 207 HA GLN 28 HA GLN 28 158.888 10.610 -11.037 208 1HB GLN 28 HB2 GLN 28 159.192 9.133 -13.620 209 2HB GLN 28 HB1 GLN 28 159.355 10.884 -13.617 210 1HG GLN 28 HG2 GLN 28 160.888 9.396 -11.574 211 2HG GLN 28 HG1 GLN 28 161.408 9.227 -13.250 212 1HE2 GLN 28 HE21 GLN 28 162.384 10.914 -14.265 213 2HE2 GLN 28 HE22 GLN 28 162.806 12.395 -13.477 214 H TYR 29 HN TYR 29 156.873 9.530 -13.778 215 HA TYR 29 HA TYR 29 155.292 11.988 -13.490 216 1HB TYR 29 HB2 TYR 29 155.986 10.220 -15.779 217 2HB TYR 29 HB1 TYR 29 154.405 10.994 -15.814 218 HD1 TYR 29 HD1 TYR 29 154.927 13.615 -14.651 219 HD2 TYR 29 HD2 TYR 29 157.299 11.325 -17.340 220 HE1 TYR 29 HE1 TYR 29 155.953 15.684 -15.497 221 HE2 TYR 29 HE2 TYR 29 158.333 13.387 -18.193 222 HH TYR 29 HH TYR 29 158.196 16.289 -16.647 223 H GLY 30 HN GLY 30 153.401 11.841 -12.491 224 1HA GLY 30 HA2 GLY 30 152.208 9.261 -11.967 225 2HA GLY 30 HA1 GLY 30 151.630 10.816 -11.391 226 H ARG 31 HN ARG 31 150.007 8.718 -12.419 227 HA ARG 31 HA ARG 31 148.336 10.163 -14.142 228 1HB ARG 31 HB2 ARG 31 150.455 8.678 -15.447 229 2HB ARG 31 HB1 ARG 31 148.879 8.084 -15.945 230 1HG ARG 31 HG2 ARG 31 149.058 10.993 -15.921 231 2HG ARG 31 HG1 ARG 31 150.203 10.224 -17.021 232 1HD ARG 31 HD2 ARG 31 147.361 9.323 -17.014 233 2HD ARG 31 HD1 ARG 31 147.779 10.835 -17.815 234 HE ARG 31 HE ARG 31 149.577 9.075 -18.818 235 1HH1 ARG 31 HH11 ARG 31 146.096 9.066 -18.565 236 2HH1 ARG 31 HH12 ARG 31 145.871 8.115 -19.994 237 1HH2 ARG 31 HH21 ARG 31 149.281 7.824 -20.698 238 2HH2 ARG 31 HH22 ARG 31 147.678 7.409 -21.205 239 H LEU 32 HN LEU 32 147.034 8.093 -15.502 240 HA LEU 32 HA LEU 32 145.561 6.911 -13.378 241 1HB LEU 32 HB2 LEU 32 145.097 7.428 -16.045 242 2HB LEU 32 HB1 LEU 32 145.222 5.680 -16.012 243 HG LEU 32 HG LEU 32 143.381 7.222 -14.191 244 1HD1 LEU 32 HD11 LEU 32 141.738 7.251 -15.733 245 2HD1 LEU 32 HD12 LEU 32 142.268 5.746 -16.485 246 3HD1 LEU 32 HD13 LEU 32 143.091 7.260 -16.862 247 1HD2 LEU 32 HD21 LEU 32 143.461 5.174 -13.227 248 2HD2 LEU 32 HD22 LEU 32 143.973 4.372 -14.712 249 3HD2 LEU 32 HD23 LEU 32 142.279 4.804 -14.482 250 H THR 33 HN THR 33 145.588 4.863 -12.565 251 HA THR 33 HA THR 33 147.127 2.760 -13.794 252 HB THR 33 HB THR 33 148.080 4.118 -11.267 253 HG1 THR 33 HG1 THR 33 149.404 4.953 -12.627 254 1HG2 THR 33 HG21 THR 33 149.346 2.391 -10.613 255 2HG2 THR 33 HG22 THR 33 149.607 1.814 -12.258 256 3HG2 THR 33 HG23 THR 33 148.102 1.439 -11.421 257 H PHE 34 HN PHE 34 146.553 3.281 -10.344 258 HA PHE 34 HA PHE 34 145.438 0.767 -9.922 259 1HB PHE 34 HB2 PHE 34 145.447 3.316 -8.344 260 2HB PHE 34 HB1 PHE 34 144.510 1.938 -7.783 261 HD1 PHE 34 HD1 PHE 34 145.557 0.760 -6.115 262 HD2 PHE 34 HD2 PHE 34 147.916 2.420 -9.240 263 HE1 PHE 34 HE1 PHE 34 147.575 -0.188 -5.085 264 HE2 PHE 34 HE2 PHE 34 149.942 1.471 -8.216 265 HZ PHE 34 HZ PHE 34 149.769 0.167 -6.137 266 H ASN 35 HN ASN 35 143.857 0.434 -11.524 267 HA ASN 35 HA ASN 35 141.472 2.089 -11.503 268 1HB ASN 35 HB2 ASN 35 142.726 0.751 -13.506 269 2HB ASN 35 HB1 ASN 35 141.473 -0.410 -13.078 270 1HD2 ASN 35 HD21 ASN 35 141.676 3.124 -13.356 271 2HD2 ASN 35 HD22 ASN 35 140.277 3.295 -14.355 272 H LYS 36 HN LYS 36 142.101 -1.418 -11.213 273 HA LYS 36 HA LYS 36 139.713 -1.596 -9.493 274 1HB LYS 36 HB2 LYS 36 140.188 -2.987 -11.774 275 2HB LYS 36 HB1 LYS 36 140.868 -4.086 -10.583 276 1HG LYS 36 HG2 LYS 36 138.841 -4.505 -9.603 277 2HG LYS 36 HG1 LYS 36 138.155 -2.961 -10.110 278 1HD LYS 36 HD2 LYS 36 138.909 -4.724 -12.325 279 2HD LYS 36 HD1 LYS 36 137.640 -5.375 -11.284 280 1HE LYS 36 HE2 LYS 36 137.404 -2.541 -12.127 281 2HE LYS 36 HE1 LYS 36 137.121 -3.777 -13.351 282 1HZ LYS 36 HZ1 LYS 36 135.564 -4.798 -11.634 283 2HZ LYS 36 HZ2 LYS 36 135.041 -3.395 -12.421 284 3HZ LYS 36 HZ3 LYS 36 135.639 -3.306 -10.841 285 H VAL 37 HN VAL 37 141.251 -0.769 -7.836 286 HA VAL 37 HA VAL 37 143.414 -2.290 -6.881 287 HB VAL 37 HB VAL 37 141.718 -0.526 -5.159 288 1HG1 VAL 37 HG11 VAL 37 143.905 0.018 -4.135 289 2HG1 VAL 37 HG12 VAL 37 144.662 -1.159 -5.207 290 3HG1 VAL 37 HG13 VAL 37 143.483 -1.689 -4.006 291 1HG2 VAL 37 HG21 VAL 37 143.814 0.993 -6.263 292 2HG2 VAL 37 HG22 VAL 37 142.081 1.222 -6.472 293 3HG2 VAL 37 HG23 VAL 37 142.982 0.215 -7.605 294 H ILE 38 HN ILE 38 143.197 -4.370 -6.245 295 HA ILE 38 HA ILE 38 141.502 -4.920 -4.002 296 HB ILE 38 HB ILE 38 140.310 -6.820 -5.063 297 1HG1 ILE 38 HG12 ILE 38 140.863 -5.682 -7.759 298 2HG1 ILE 38 HG11 ILE 38 142.114 -6.690 -7.039 299 1HG2 ILE 38 HG21 ILE 38 139.348 -4.516 -4.787 300 2HG2 ILE 38 HG22 ILE 38 138.598 -5.509 -6.036 301 3HG2 ILE 38 HG23 ILE 38 139.734 -4.236 -6.486 302 1HD1 ILE 38 HD11 ILE 38 140.626 -8.547 -6.893 303 2HD1 ILE 38 HD12 ILE 38 140.541 -7.898 -8.531 304 3HD1 ILE 38 HD13 ILE 38 139.254 -7.549 -7.377 305 H LYS 39 HN LYS 39 141.722 -7.888 -5.184 306 HA LYS 39 HA LYS 39 143.010 -9.694 -4.854 307 1HB LYS 39 HB2 LYS 39 144.807 -7.680 -5.888 308 2HB LYS 39 HB1 LYS 39 145.651 -8.798 -4.827 309 1HG LYS 39 HG2 LYS 39 145.718 -9.501 -7.172 310 2HG LYS 39 HG1 LYS 39 144.901 -10.678 -6.142 311 1HD LYS 39 HD2 LYS 39 142.778 -10.070 -6.948 312 2HD LYS 39 HD1 LYS 39 143.386 -8.576 -7.662 313 1HE LYS 39 HE2 LYS 39 143.300 -9.809 -9.558 314 2HE LYS 39 HE1 LYS 39 144.889 -10.334 -9.004 315 1HZ LYS 39 HZ1 LYS 39 143.988 -12.360 -9.274 316 2HZ LYS 39 HZ2 LYS 39 142.395 -11.808 -9.144 317 3HZ LYS 39 HZ3 LYS 39 143.312 -12.076 -7.748 318 HA PRO 40 HA PRO 40 143.911 -10.472 -0.667 319 1HB PRO 40 HB2 PRO 40 146.613 -11.416 -1.532 320 2HB PRO 40 HB1 PRO 40 145.429 -12.205 -0.482 321 1HG PRO 40 HG2 PRO 40 145.725 -12.988 -3.006 322 2HG PRO 40 HG1 PRO 40 144.117 -12.903 -2.263 323 1HD PRO 40 HD2 PRO 40 145.383 -11.089 -4.254 324 2HD PRO 40 HD1 PRO 40 143.676 -11.526 -4.047 325 H CYS 41 HN CYS 41 144.012 -8.229 -0.132 326 HA CYS 41 HA CYS 41 146.671 -7.026 0.024 327 1HB CYS 41 HB2 CYS 41 145.447 -4.987 0.708 328 2HB CYS 41 HB1 CYS 41 144.894 -5.614 -0.839 329 HG CYS 41 HG CYS 41 142.905 -4.902 0.798 330 H MET 42 HN MET 42 146.661 -5.507 2.225 331 HA MET 42 HA MET 42 145.663 -6.645 4.584 332 1HB MET 42 HB2 MET 42 147.612 -8.250 3.563 333 2HB MET 42 HB1 MET 42 148.556 -7.205 4.613 334 1HG MET 42 HG2 MET 42 146.598 -7.807 6.306 335 2HG MET 42 HG1 MET 42 146.524 -9.242 5.287 336 1HE MET 42 HE1 MET 42 149.067 -10.011 4.355 337 2HE MET 42 HE2 MET 42 148.420 -11.249 5.432 338 3HE MET 42 HE3 MET 42 150.092 -10.716 5.605 339 H LYS 43 HN LYS 43 146.990 -5.882 6.556 340 HA LYS 43 HA LYS 43 148.617 -3.530 6.163 341 1HB LYS 43 HB2 LYS 43 146.272 -2.686 5.919 342 2HB LYS 43 HB1 LYS 43 145.946 -3.243 7.554 343 1HG LYS 43 HG2 LYS 43 148.086 -1.737 8.055 344 2HG LYS 43 HG1 LYS 43 147.497 -0.910 6.613 345 1HD LYS 43 HD2 LYS 43 145.943 0.113 7.829 346 2HD LYS 43 HD1 LYS 43 145.268 -1.448 8.294 347 1HE LYS 43 HE2 LYS 43 147.476 0.057 9.689 348 2HE LYS 43 HE1 LYS 43 145.829 -0.179 10.272 349 1HZ LYS 43 HZ1 LYS 43 147.950 -2.224 9.954 350 2HZ LYS 43 HZ2 LYS 43 146.326 -2.622 10.212 351 3HZ LYS 43 HZ3 LYS 43 147.177 -1.743 11.379 352 H LYS 44 HN LYS 44 149.680 -2.880 8.111 353 HA LYS 44 HA LYS 44 149.125 -4.456 10.507 354 1HB LYS 44 HB2 LYS 44 151.646 -4.872 10.712 355 2HB LYS 44 HB1 LYS 44 150.743 -5.866 9.580 356 1HG LYS 44 HG2 LYS 44 151.512 -3.824 7.973 357 2HG LYS 44 HG1 LYS 44 152.868 -3.909 9.098 358 1HD LYS 44 HD2 LYS 44 153.443 -5.365 7.346 359 2HD LYS 44 HD1 LYS 44 152.869 -6.419 8.640 360 1HE LYS 44 HE2 LYS 44 151.144 -7.154 7.421 361 2HE LYS 44 HE1 LYS 44 150.741 -5.534 6.856 362 1HZ LYS 44 HZ1 LYS 44 152.695 -5.780 5.306 363 2HZ LYS 44 HZ2 LYS 44 151.354 -6.752 4.962 364 3HZ LYS 44 HZ3 LYS 44 152.714 -7.423 5.713 365 H THR 45 HN THR 45 148.721 -2.875 11.908 366 HA THR 45 HA THR 45 149.880 -0.320 11.850 367 HB THR 45 HB THR 45 148.457 -1.712 14.120 368 HG1 THR 45 HG1 THR 45 147.399 0.058 12.180 369 1HG2 THR 45 HG21 THR 45 149.591 0.283 14.908 370 2HG2 THR 45 HG22 THR 45 147.844 0.515 14.882 371 3HG2 THR 45 HG23 THR 45 148.844 1.227 13.618 372 H ILE 46 HN ILE 46 151.142 0.645 13.670 373 HA ILE 46 HA ILE 46 152.878 -1.266 15.050 374 HB ILE 46 HB ILE 46 154.112 1.123 13.708 375 1HG1 ILE 46 HG12 ILE 46 154.976 -0.860 12.134 376 2HG1 ILE 46 HG11 ILE 46 153.384 -1.504 12.523 377 1HG2 ILE 46 HG21 ILE 46 155.099 -0.385 15.640 378 2HG2 ILE 46 HG22 ILE 46 156.116 0.240 14.343 379 3HG2 ILE 46 HG23 ILE 46 155.531 -1.421 14.280 380 1HD1 ILE 46 HD11 ILE 46 153.673 1.302 11.554 381 2HD1 ILE 46 HD12 ILE 46 152.289 0.214 11.448 382 3HD1 ILE 46 HD13 ILE 46 153.697 -0.046 10.418 383 H TYR 47 HN TYR 47 151.460 -0.517 16.792 384 HA TYR 47 HA TYR 47 152.150 2.170 17.747 385 1HB TYR 47 HB2 TYR 47 150.164 2.061 19.141 386 2HB TYR 47 HB1 TYR 47 149.732 1.683 17.477 387 HD1 TYR 47 HD1 TYR 47 149.683 0.559 20.879 388 HD2 TYR 47 HD2 TYR 47 149.429 -0.761 16.844 389 HE1 TYR 47 HE1 TYR 47 148.641 -1.536 21.637 390 HE2 TYR 47 HE2 TYR 47 148.387 -2.859 17.589 391 HH TYR 47 HH TYR 47 147.202 -3.304 20.741 392 H GLU 48 HN GLU 48 153.784 2.194 19.139 393 HA GLU 48 HA GLU 48 154.974 0.095 20.404 394 1HB GLU 48 HB2 GLU 48 155.988 2.288 20.325 395 2HB GLU 48 HB1 GLU 48 154.745 2.929 21.390 396 1HG GLU 48 HG2 GLU 48 156.579 2.631 22.779 397 2HG GLU 48 HG1 GLU 48 155.581 1.212 23.092 398 H ASN 49 HN ASN 49 153.172 2.372 22.335 399 HA ASN 49 HA ASN 49 151.356 0.522 23.453 400 1HB ASN 49 HB2 ASN 49 153.807 0.043 24.459 401 2HB ASN 49 HB1 ASN 49 153.285 1.307 25.569 402 1HD2 ASN 49 HD21 ASN 49 151.615 -1.386 23.972 403 2HD2 ASN 49 HD22 ASN 49 150.985 -2.079 25.423 404 H GLU 50 HN GLU 50 153.322 3.277 24.569 405 HA GLU 50 HA GLU 50 150.864 4.624 25.422 406 1HB GLU 50 HB2 GLU 50 153.773 5.194 26.016 407 2HB GLU 50 HB1 GLU 50 152.442 6.205 26.564 408 1HG GLU 50 HG2 GLU 50 152.366 4.952 28.384 409 2HG GLU 50 HG1 GLU 50 151.742 3.647 27.376 410 H ARG 51 HN ARG 51 151.477 4.379 22.643 411 HA ARG 51 HA ARG 51 151.337 5.653 20.762 412 1HB ARG 51 HB2 ARG 51 151.366 8.109 22.512 413 2HB ARG 51 HB1 ARG 51 150.699 7.942 20.893 414 1HG ARG 51 HG2 ARG 51 149.577 6.244 23.057 415 2HG ARG 51 HG1 ARG 51 149.164 7.958 23.030 416 1HD ARG 51 HD2 ARG 51 147.854 7.737 21.219 417 2HD ARG 51 HD1 ARG 51 148.971 6.626 20.427 418 HE ARG 51 HE ARG 51 147.771 4.867 21.269 419 1HH1 ARG 51 HH11 ARG 51 146.836 7.783 22.943 420 2HH1 ARG 51 HH12 ARG 51 145.509 7.034 23.766 421 1HH2 ARG 51 HH21 ARG 51 146.026 3.880 22.352 422 2HH2 ARG 51 HH22 ARG 51 145.050 4.819 23.432 423 H GLU 52 HN GLU 52 153.727 4.719 21.104 424 HA GLU 52 HA GLU 52 155.666 6.876 21.205 425 1HB GLU 52 HB2 GLU 52 155.818 4.359 22.151 426 2HB GLU 52 HB1 GLU 52 156.571 4.137 20.577 427 1HG GLU 52 HG2 GLU 52 157.436 6.282 22.488 428 2HG GLU 52 HG1 GLU 52 158.103 4.650 22.523 429 H ILE 53 HN ILE 53 154.135 4.819 18.907 430 HA ILE 53 HA ILE 53 155.371 6.343 16.782 431 HB ILE 53 HB ILE 53 155.735 4.226 15.426 432 1HG1 ILE 53 HG12 ILE 53 155.976 2.926 18.133 433 2HG1 ILE 53 HG11 ILE 53 154.515 2.793 17.165 434 1HG2 ILE 53 HG21 ILE 53 157.452 5.737 16.668 435 2HG2 ILE 53 HG22 ILE 53 157.950 4.186 15.996 436 3HG2 ILE 53 HG23 ILE 53 157.629 4.334 17.721 437 1HD1 ILE 53 HD11 ILE 53 155.881 0.863 16.811 438 2HD1 ILE 53 HD12 ILE 53 157.266 1.873 16.397 439 3HD1 ILE 53 HD13 ILE 53 155.856 1.835 15.339 440 H LYS 54 HN LYS 54 153.145 3.726 17.443 441 HA LYS 54 HA LYS 54 151.166 3.104 16.465 442 1HB LYS 54 HB2 LYS 54 150.620 5.155 17.827 443 2HB LYS 54 HB1 LYS 54 150.697 6.077 16.332 444 1HG LYS 54 HG2 LYS 54 148.693 5.360 15.638 445 2HG LYS 54 HG1 LYS 54 148.968 3.716 16.216 446 1HD LYS 54 HD2 LYS 54 147.357 4.303 17.700 447 2HD LYS 54 HD1 LYS 54 148.742 4.966 18.571 448 1HE LYS 54 HE2 LYS 54 148.302 7.160 17.759 449 2HE LYS 54 HE1 LYS 54 147.095 6.561 16.621 450 1HZ LYS 54 HZ1 LYS 54 146.101 5.690 18.938 451 2HZ LYS 54 HZ2 LYS 54 145.682 7.170 18.236 452 3HZ LYS 54 HZ3 LYS 54 146.855 7.114 19.455 453 H GLY 55 HN GLY 55 152.995 2.871 14.576 454 1HA GLY 55 HA2 GLY 55 152.326 4.451 12.233 455 2HA GLY 55 HA1 GLY 55 153.490 3.135 12.305 456 H TYR 56 HN TYR 56 152.138 3.023 10.124 457 HA TYR 56 HA TYR 56 150.566 0.652 10.412 458 1HB TYR 56 HB2 TYR 56 148.558 1.675 9.182 459 2HB TYR 56 HB1 TYR 56 148.717 1.990 10.904 460 HD1 TYR 56 HD1 TYR 56 149.783 4.238 11.592 461 HD2 TYR 56 HD2 TYR 56 148.332 3.441 7.671 462 HE1 TYR 56 HE1 TYR 56 149.625 6.652 11.167 463 HE2 TYR 56 HE2 TYR 56 148.171 5.856 7.236 464 HH TYR 56 HH TYR 56 149.670 8.147 9.000 465 H GLU 57 HN GLU 57 151.198 -0.586 8.830 466 HA GLU 57 HA GLU 57 152.113 0.621 6.327 467 1HB GLU 57 HB2 GLU 57 152.408 -2.232 7.277 468 2HB GLU 57 HB1 GLU 57 153.180 -1.516 5.870 469 1HG GLU 57 HG2 GLU 57 154.780 -0.512 7.088 470 2HG GLU 57 HG1 GLU 57 153.691 -0.159 8.428 471 H TYR 58 HN TYR 58 151.034 0.420 4.476 472 HA TYR 58 HA TYR 58 148.716 -1.404 4.431 473 1HB TYR 58 HB2 TYR 58 148.774 1.408 4.179 474 2HB TYR 58 HB1 TYR 58 148.437 0.782 2.570 475 HD1 TYR 58 HD1 TYR 58 147.126 1.363 5.886 476 HD2 TYR 58 HD2 TYR 58 146.451 -0.689 2.226 477 HE1 TYR 58 HE1 TYR 58 144.769 1.040 6.509 478 HE2 TYR 58 HE2 TYR 58 144.093 -1.022 2.837 479 HH TYR 58 HH TYR 58 142.415 -0.104 4.276 480 H GLN 59 HN GLN 59 149.662 -3.096 3.332 481 HA GLN 59 HA GLN 59 150.775 -2.516 0.668 482 1HB GLN 59 HB2 GLN 59 152.198 -3.788 2.318 483 2HB GLN 59 HB1 GLN 59 151.015 -5.086 2.239 484 1HG GLN 59 HG2 GLN 59 151.439 -5.290 -0.178 485 2HG GLN 59 HG1 GLN 59 152.677 -4.041 -0.043 486 1HE2 GLN 59 HE21 GLN 59 153.643 -6.175 -1.072 487 2HE2 GLN 59 HE22 GLN 59 154.519 -7.152 0.051 488 H LEU 60 HN LEU 60 149.087 -2.538 -0.741 489 HA LEU 60 HA LEU 60 147.370 -4.890 -0.689 490 1HB LEU 60 HB2 LEU 60 146.269 -2.404 -1.848 491 2HB LEU 60 HB1 LEU 60 145.448 -3.704 -1.012 492 HG LEU 60 HG LEU 60 146.930 -1.376 0.187 493 1HD1 LEU 60 HD11 LEU 60 144.181 -2.336 0.861 494 2HD1 LEU 60 HD12 LEU 60 144.460 -1.334 -0.563 495 3HD1 LEU 60 HD13 LEU 60 144.876 -0.726 1.038 496 1HD2 LEU 60 HD21 LEU 60 147.446 -2.546 1.996 497 2HD2 LEU 60 HD22 LEU 60 146.830 -4.006 1.228 498 3HD2 LEU 60 HD23 LEU 60 145.755 -3.000 2.195 499 H TYR 61 HN TYR 61 146.186 -5.221 -2.854 500 HA TYR 61 HA TYR 61 148.164 -4.844 -5.000 501 1HB TYR 61 HB2 TYR 61 146.031 -6.924 -4.565 502 2HB TYR 61 HB1 TYR 61 146.913 -6.766 -6.079 503 HD1 TYR 61 HD1 TYR 61 147.376 -7.363 -2.437 504 HD2 TYR 61 HD2 TYR 61 148.984 -7.828 -6.349 505 HE1 TYR 61 HE1 TYR 61 149.151 -8.802 -1.529 506 HE2 TYR 61 HE2 TYR 61 150.763 -9.271 -5.451 507 HH TYR 61 HH TYR 61 150.698 -10.490 -2.239 508 H VAL 62 HN VAL 62 147.086 -4.744 -7.256 509 HA VAL 62 HA VAL 62 144.467 -3.513 -7.221 510 HB VAL 62 HB VAL 62 145.896 -1.603 -6.746 511 1HG1 VAL 62 HG11 VAL 62 147.696 -0.929 -8.074 512 2HG1 VAL 62 HG12 VAL 62 147.219 -1.969 -9.410 513 3HG1 VAL 62 HG13 VAL 62 147.897 -2.675 -7.943 514 1HG2 VAL 62 HG21 VAL 62 145.227 -1.133 -9.593 515 2HG2 VAL 62 HG22 VAL 62 144.822 -0.186 -8.162 516 3HG2 VAL 62 HG23 VAL 62 143.915 -1.651 -8.538 517 H TYR 63 HN TYR 63 143.466 -4.681 -8.715 518 HA TYR 63 HA TYR 63 144.830 -5.627 -11.081 519 1HB TYR 63 HB2 TYR 63 142.593 -6.465 -9.734 520 2HB TYR 63 HB1 TYR 63 141.877 -5.623 -11.101 521 HD1 TYR 63 HD1 TYR 63 141.575 -8.555 -10.572 522 HD2 TYR 63 HD2 TYR 63 144.460 -6.417 -12.855 523 HE1 TYR 63 HE1 TYR 63 141.928 -10.541 -11.976 524 HE2 TYR 63 HE2 TYR 63 144.821 -8.397 -14.264 525 HH TYR 63 HH TYR 63 144.395 -11.153 -13.709 526 H ALA 64 HN ALA 64 145.548 -3.378 -11.569 527 HA ALA 64 HA ALA 64 143.762 -1.355 -12.343 528 1HB ALA 64 HB1 ALA 64 145.857 -0.559 -11.891 529 2HB ALA 64 HB2 ALA 64 145.874 -0.558 -13.655 530 3HB ALA 64 HB3 ALA 64 146.663 -1.860 -12.765 531 H SER 65 HN SER 65 144.247 -0.366 -14.708 532 HA SER 65 HA SER 65 142.942 -2.236 -16.498 533 1HB SER 65 HB2 SER 65 143.493 0.709 -16.532 534 2HB SER 65 HB1 SER 65 143.085 -0.112 -18.037 535 HG SER 65 HG SER 65 141.151 0.446 -17.242 536 H ASP 66 HN ASP 66 145.101 -3.490 -16.305 537 HA ASP 66 HA ASP 66 146.310 -3.565 -18.777 538 1HB ASP 66 HB2 ASP 66 147.346 -1.403 -17.992 539 2HB ASP 66 HB1 ASP 66 148.166 -2.334 -16.744 540 H LYS 67 HN LYS 67 146.582 -4.149 -15.389 541 HA LYS 67 HA LYS 67 146.790 -6.902 -15.563 542 1HB LYS 67 HB2 LYS 67 149.207 -7.201 -14.887 543 2HB LYS 67 HB1 LYS 67 148.942 -6.727 -16.560 544 1HG LYS 67 HG2 LYS 67 149.775 -4.603 -16.232 545 2HG LYS 67 HG1 LYS 67 149.470 -4.639 -14.494 546 1HD LYS 67 HD2 LYS 67 151.855 -4.797 -14.948 547 2HD LYS 67 HD1 LYS 67 151.263 -6.294 -14.224 548 1HE LYS 67 HE2 LYS 67 152.438 -7.224 -15.918 549 2HE LYS 67 HE1 LYS 67 150.951 -6.907 -16.810 550 1HZ LYS 67 HZ1 LYS 67 153.117 -4.904 -16.705 551 2HZ LYS 67 HZ2 LYS 67 151.871 -5.057 -17.839 552 3HZ LYS 67 HZ3 LYS 67 153.151 -6.163 -17.835 553 H LEU 68 HN LEU 68 148.051 -7.750 -13.421 554 HA LEU 68 HA LEU 68 146.672 -6.396 -11.253 555 1HB LEU 68 HB2 LEU 68 146.552 -8.868 -11.562 556 2HB LEU 68 HB1 LEU 68 148.265 -8.958 -11.205 557 HG LEU 68 HG LEU 68 146.678 -9.529 -9.313 558 1HD1 LEU 68 HD11 LEU 68 148.273 -7.329 -8.246 559 2HD1 LEU 68 HD12 LEU 68 149.167 -8.409 -9.315 560 3HD1 LEU 68 HD13 LEU 68 148.339 -9.057 -7.898 561 1HD2 LEU 68 HD21 LEU 68 145.284 -8.014 -8.405 562 2HD2 LEU 68 HD22 LEU 68 145.398 -7.245 -9.987 563 3HD2 LEU 68 HD23 LEU 68 146.406 -6.676 -8.657 564 H PHE 69 HN PHE 69 147.707 -4.739 -10.365 565 HA PHE 69 HA PHE 69 150.617 -4.894 -9.997 566 1HB PHE 69 HB2 PHE 69 148.679 -2.657 -10.339 567 2HB PHE 69 HB1 PHE 69 150.112 -2.352 -9.365 568 HD1 PHE 69 HD1 PHE 69 148.989 -1.511 -12.312 569 HD2 PHE 69 HD2 PHE 69 152.162 -3.887 -10.766 570 HE1 PHE 69 HE1 PHE 69 150.282 -1.115 -14.368 571 HE2 PHE 69 HE2 PHE 69 153.462 -3.496 -12.818 572 HZ PHE 69 HZ PHE 69 152.523 -2.106 -14.621 573 H ARG 70 HN ARG 70 151.043 -3.181 -7.934 574 HA ARG 70 HA ARG 70 149.371 -3.572 -5.712 575 1HB ARG 70 HB2 ARG 70 150.127 -5.861 -5.792 576 2HB ARG 70 HB1 ARG 70 151.801 -5.348 -5.921 577 1HG ARG 70 HG2 ARG 70 151.265 -4.209 -3.598 578 2HG ARG 70 HG1 ARG 70 150.021 -5.457 -3.549 579 1HD ARG 70 HD2 ARG 70 152.248 -6.047 -2.500 580 2HD ARG 70 HD1 ARG 70 151.608 -7.191 -3.679 581 HE ARG 70 HE ARG 70 153.398 -6.742 -5.034 582 1HH1 ARG 70 HH11 ARG 70 153.194 -4.271 -2.581 583 2HH1 ARG 70 HH12 ARG 70 154.718 -3.560 -2.994 584 1HH2 ARG 70 HH21 ARG 70 155.400 -5.810 -5.581 585 2HH2 ARG 70 HH22 ARG 70 155.971 -4.433 -4.697 586 H ALA 71 HN ALA 71 149.955 -2.280 -3.987 587 HA ALA 71 HA ALA 71 152.533 -0.881 -4.244 588 1HB ALA 71 HB1 ALA 71 151.203 0.858 -4.878 589 2HB ALA 71 HB2 ALA 71 151.089 1.057 -3.130 590 3HB ALA 71 HB3 ALA 71 149.796 0.241 -4.011 591 H ASP 72 HN ASP 72 153.284 0.126 -2.157 592 HA ASP 72 HA ASP 72 152.106 -1.260 0.158 593 1HB ASP 72 HB2 ASP 72 154.215 -2.404 -0.868 594 2HB ASP 72 HB1 ASP 72 155.096 -1.086 -0.104 595 H ILE 73 HN ILE 73 151.713 0.084 1.752 596 HA ILE 73 HA ILE 73 153.188 2.628 1.868 597 HB ILE 73 HB ILE 73 150.590 2.178 3.299 598 1HG1 ILE 73 HG12 ILE 73 150.879 3.069 0.421 599 2HG1 ILE 73 HG11 ILE 73 150.163 1.556 0.958 600 1HG2 ILE 73 HG21 ILE 73 151.915 4.154 3.836 601 2HG2 ILE 73 HG22 ILE 73 150.399 4.599 3.055 602 3HG2 ILE 73 HG23 ILE 73 151.906 4.630 2.139 603 1HD1 ILE 73 HD11 ILE 73 149.049 4.132 1.953 604 2HD1 ILE 73 HD12 ILE 73 148.254 2.577 1.716 605 3HD1 ILE 73 HD13 ILE 73 148.659 3.579 0.324 606 H SER 74 HN SER 74 153.872 3.397 3.903 607 HA SER 74 HA SER 74 153.599 1.678 6.217 608 1HB SER 74 HB2 SER 74 156.019 1.451 6.581 609 2HB SER 74 HB1 SER 74 155.547 0.707 5.054 610 HG SER 74 HG SER 74 156.406 2.419 3.956 611 H GLU 75 HN GLU 75 153.392 2.920 7.994 612 HA GLU 75 HA GLU 75 154.447 5.667 7.848 613 1HB GLU 75 HB2 GLU 75 151.852 4.623 8.970 614 2HB GLU 75 HB1 GLU 75 152.510 6.176 9.462 615 1HG GLU 75 HG2 GLU 75 150.786 6.268 7.663 616 2HG GLU 75 HG1 GLU 75 152.311 7.054 7.275 617 H ASP 76 HN ASP 76 156.352 4.436 8.830 618 HA ASP 76 HA ASP 76 156.029 3.697 11.582 619 1HB ASP 76 HB2 ASP 76 157.738 2.867 9.574 620 2HB ASP 76 HB1 ASP 76 158.775 3.831 10.620 621 H TYR 77 HN TYR 77 156.915 4.761 13.355 622 HA TYR 77 HA TYR 77 157.946 7.468 12.790 623 1HB TYR 77 HB2 TYR 77 155.610 6.956 14.053 624 2HB TYR 77 HB1 TYR 77 156.706 6.978 15.430 625 HD1 TYR 77 HD1 TYR 77 156.651 9.008 12.298 626 HD2 TYR 77 HD2 TYR 77 156.391 8.983 16.544 627 HE1 TYR 77 HE1 TYR 77 156.589 11.465 12.301 628 HE2 TYR 77 HE2 TYR 77 156.326 11.441 16.560 629 HH TYR 77 HH TYR 77 155.532 13.276 14.650 630 H LYS 78 HN LYS 78 158.734 4.471 14.044 631 HA LYS 78 HA LYS 78 160.488 5.362 16.152 632 1HB LYS 78 HB2 LYS 78 159.487 3.142 16.303 633 2HB LYS 78 HB1 LYS 78 160.199 2.684 14.763 634 1HG LYS 78 HG2 LYS 78 161.808 1.767 16.011 635 2HG LYS 78 HG1 LYS 78 162.402 3.419 16.189 636 1HD LYS 78 HD2 LYS 78 161.142 3.665 18.261 637 2HD LYS 78 HD1 LYS 78 160.491 2.035 18.072 638 1HE LYS 78 HE2 LYS 78 162.219 1.376 19.326 639 2HE LYS 78 HE1 LYS 78 163.200 1.630 17.884 640 1HZ LYS 78 HZ1 LYS 78 162.750 4.029 19.406 641 2HZ LYS 78 HZ2 LYS 78 164.191 3.396 18.788 642 3HZ LYS 78 HZ3 LYS 78 163.590 2.840 20.267 643 H THR 79 HN THR 79 160.723 4.247 12.837 644 HA THR 79 HA THR 79 163.472 5.288 12.705 645 HB THR 79 HB THR 79 162.577 3.378 10.625 646 HG1 THR 79 HG1 THR 79 163.125 2.534 13.275 647 1HG2 THR 79 HG21 THR 79 165.086 3.478 12.280 648 2HG2 THR 79 HG22 THR 79 164.876 4.234 10.700 649 3HG2 THR 79 HG23 THR 79 164.798 2.479 10.856 650 H ARG 80 HN ARG 80 160.756 6.510 12.333 651 HA ARG 80 HA ARG 80 159.531 7.737 10.847 652 1HB ARG 80 HB2 ARG 80 161.090 9.407 9.603 653 2HB ARG 80 HB1 ARG 80 160.979 9.458 11.355 654 1HG ARG 80 HG2 ARG 80 163.117 7.839 10.051 655 2HG ARG 80 HG1 ARG 80 163.290 9.587 10.192 656 1HD ARG 80 HD2 ARG 80 162.475 8.861 12.706 657 2HD ARG 80 HD1 ARG 80 163.498 7.509 12.233 658 HE ARG 80 HE ARG 80 165.286 9.118 11.854 659 1HH1 ARG 80 HH11 ARG 80 162.563 10.209 13.765 660 2HH1 ARG 80 HH12 ARG 80 163.466 11.454 14.553 661 1HH2 ARG 80 HH21 ARG 80 166.460 10.758 12.897 662 2HH2 ARG 80 HH22 ARG 80 165.673 11.768 14.063 663 H GLY 81 HN GLY 81 159.222 5.543 9.714 664 1HA GLY 81 HA2 GLY 81 160.256 5.697 6.957 665 2HA GLY 81 HA1 GLY 81 159.669 4.231 7.730 666 H ARG 82 HN ARG 82 158.246 7.476 7.564 667 HA ARG 82 HA ARG 82 155.724 6.310 6.739 668 1HB ARG 82 HB2 ARG 82 155.953 8.123 8.502 669 2HB ARG 82 HB1 ARG 82 156.316 9.230 7.184 670 1HG ARG 82 HG2 ARG 82 153.953 7.822 6.506 671 2HG ARG 82 HG1 ARG 82 153.787 8.400 8.165 672 1HD ARG 82 HD2 ARG 82 154.173 10.649 7.512 673 2HD ARG 82 HD1 ARG 82 154.698 10.159 5.901 674 HE ARG 82 HE ARG 82 151.993 9.407 6.529 675 1HH1 ARG 82 HH11 ARG 82 154.051 11.922 5.254 676 2HH1 ARG 82 HH12 ARG 82 152.784 12.666 4.339 677 1HH2 ARG 82 HH21 ARG 82 150.326 10.386 5.326 678 2HH2 ARG 82 HH22 ARG 82 150.670 11.795 4.378 679 H LYS 83 HN LYS 83 155.313 5.982 4.645 680 HA LYS 83 HA LYS 83 155.225 7.921 2.710 681 1HB LYS 83 HB2 LYS 83 157.264 7.231 1.311 682 2HB LYS 83 HB1 LYS 83 157.520 8.319 2.668 683 1HG LYS 83 HG2 LYS 83 158.821 6.858 3.743 684 2HG LYS 83 HG1 LYS 83 157.762 5.496 3.373 685 1HD LYS 83 HD2 LYS 83 159.421 4.823 2.021 686 2HD LYS 83 HD1 LYS 83 158.828 6.070 0.922 687 1HE LYS 83 HE2 LYS 83 160.803 6.780 3.048 688 2HE LYS 83 HE1 LYS 83 161.355 5.984 1.575 689 1HZ LYS 83 HZ1 LYS 83 159.594 8.288 1.259 690 2HZ LYS 83 HZ2 LYS 83 160.912 7.797 0.320 691 3HZ LYS 83 HZ3 LYS 83 161.171 8.600 1.786 692 H LEU 84 HN LEU 84 154.523 7.241 0.734 693 HA LEU 84 HA LEU 84 153.930 4.366 0.498 694 1HB LEU 84 HB2 LEU 84 152.018 6.009 0.495 695 2HB LEU 84 HB1 LEU 84 152.672 6.673 -0.989 696 HG LEU 84 HG LEU 84 152.019 3.760 -0.845 697 1HD1 LEU 84 HD11 LEU 84 150.065 5.105 0.006 698 2HD1 LEU 84 HD12 LEU 84 149.755 4.124 -1.425 699 3HD1 LEU 84 HD13 LEU 84 150.000 5.863 -1.585 700 1HD2 LEU 84 HD21 LEU 84 151.330 5.125 -3.268 701 2HD2 LEU 84 HD22 LEU 84 152.499 3.831 -3.007 702 3HD2 LEU 84 HD23 LEU 84 152.989 5.513 -2.810 703 H LEU 85 HN LEU 85 154.666 3.248 -1.333 704 HA LEU 85 HA LEU 85 155.913 4.795 -3.457 705 1HB LEU 85 HB2 LEU 85 157.967 3.132 -3.051 706 2HB LEU 85 HB1 LEU 85 157.870 4.738 -2.353 707 HG LEU 85 HG LEU 85 156.858 2.330 -0.855 708 1HD1 LEU 85 HD11 LEU 85 159.655 3.197 -1.337 709 2HD1 LEU 85 HD12 LEU 85 159.002 1.588 -1.030 710 3HD1 LEU 85 HD13 LEU 85 159.224 2.721 0.304 711 1HD2 LEU 85 HD21 LEU 85 156.201 4.040 0.451 712 2HD2 LEU 85 HD22 LEU 85 157.304 5.186 -0.309 713 3HD2 LEU 85 HD23 LEU 85 157.892 4.093 0.943 714 H ARG 86 HN ARG 86 156.401 1.419 -2.422 715 HA ARG 86 HA ARG 86 156.628 0.091 -4.662 716 1HB ARG 86 HB2 ARG 86 154.821 -0.659 -2.380 717 2HB ARG 86 HB1 ARG 86 155.170 -1.762 -3.701 718 1HG ARG 86 HG2 ARG 86 157.594 -0.637 -2.627 719 2HG ARG 86 HG1 ARG 86 156.632 -1.397 -1.359 720 1HD ARG 86 HD2 ARG 86 156.903 -2.902 -3.886 721 2HD ARG 86 HD1 ARG 86 158.365 -2.735 -2.917 722 HE ARG 86 HE ARG 86 156.052 -3.608 -1.437 723 1HH1 ARG 86 HH11 ARG 86 158.802 -4.611 -3.337 724 2HH1 ARG 86 HH12 ARG 86 158.848 -6.202 -2.657 725 1HH2 ARG 86 HH21 ARG 86 156.112 -5.699 -0.541 726 2HH2 ARG 86 HH22 ARG 86 157.321 -6.821 -1.070 727 H PHE 87 HN PHE 87 155.687 -0.194 -6.546 728 HA PHE 87 HA PHE 87 152.798 0.144 -6.837 729 1HB PHE 87 HB2 PHE 87 154.662 2.154 -7.533 730 2HB PHE 87 HB1 PHE 87 154.125 1.441 -9.046 731 HD1 PHE 87 HD1 PHE 87 152.444 2.595 -10.063 732 HD2 PHE 87 HD2 PHE 87 152.518 2.413 -5.813 733 HE1 PHE 87 HE1 PHE 87 150.399 3.959 -9.974 734 HE2 PHE 87 HE2 PHE 87 150.471 3.774 -5.714 735 HZ PHE 87 HZ PHE 87 149.410 4.550 -7.798 736 H ASN 88 HN ASN 88 154.051 -2.261 -6.896 737 HA ASN 88 HA ASN 88 153.606 -3.091 -9.639 738 1HB ASN 88 HB2 ASN 88 156.267 -3.347 -8.257 739 2HB ASN 88 HB1 ASN 88 155.784 -4.476 -9.521 740 1HD2 ASN 88 HD21 ASN 88 157.817 -2.202 -9.218 741 2HD2 ASN 88 HD22 ASN 88 157.622 -1.298 -10.677 742 H GLY 89 HN GLY 89 153.148 -5.314 -9.858 743 1HA GLY 89 HA2 GLY 89 153.231 -7.027 -7.529 744 2HA GLY 89 HA1 GLY 89 151.613 -6.541 -8.013 745 HA PRO 90 HA PRO 90 153.681 -10.166 -10.611 746 1HB PRO 90 HB2 PRO 90 152.095 -11.865 -8.756 747 2HB PRO 90 HB1 PRO 90 153.681 -12.161 -9.475 748 1HG PRO 90 HG2 PRO 90 153.457 -11.478 -6.911 749 2HG PRO 90 HG1 PRO 90 154.783 -10.851 -7.909 750 1HD PRO 90 HD2 PRO 90 152.285 -9.487 -6.997 751 2HD PRO 90 HD1 PRO 90 153.926 -8.835 -7.183 752 H VAL 91 HN VAL 91 152.082 -12.161 -11.345 753 HA VAL 91 HA VAL 91 149.389 -11.084 -11.760 754 HB VAL 91 HB VAL 91 149.556 -11.813 -14.191 755 1HG1 VAL 91 HG11 VAL 91 151.412 -9.545 -13.912 756 2HG1 VAL 91 HG12 VAL 91 149.895 -9.405 -13.024 757 3HG1 VAL 91 HG13 VAL 91 149.875 -9.658 -14.769 758 1HG2 VAL 91 HG21 VAL 91 152.455 -11.288 -14.143 759 2HG2 VAL 91 HG22 VAL 91 151.517 -12.395 -15.144 760 3HG2 VAL 91 HG23 VAL 91 151.948 -12.848 -13.496 Start of MODEL 13 1 1H GLY 1 HT1 GLY 1 154.861 -3.763 16.155 2 2H GLY 1 HT2 GLY 1 153.324 -3.422 16.773 3 3H GLY 1 HT3 GLY 1 154.324 -2.161 16.252 4 1HA GLY 1 HA1 GLY 1 152.514 -2.728 14.670 5 2HA GLY 1 HA2 GLY 1 154.134 -2.788 13.995 6 H GLU 2 HN GLU 2 151.923 -4.115 12.867 7 HA GLU 2 HA GLU 2 152.985 -6.792 12.801 8 1HB GLU 2 HB2 GLU 2 150.976 -6.316 14.638 9 2HB GLU 2 HB1 GLU 2 150.103 -6.960 13.256 10 1HG GLU 2 HG2 GLU 2 152.208 -8.681 13.440 11 2HG GLU 2 HG1 GLU 2 151.902 -8.289 15.131 12 H TRP 3 HN TRP 3 150.579 -7.944 11.636 13 HA TRP 3 HA TRP 3 149.939 -6.313 9.330 14 1HB TRP 3 HB2 TRP 3 151.534 -8.866 9.087 15 2HB TRP 3 HB1 TRP 3 150.697 -8.104 7.737 16 HD1 TRP 3 HD1 TRP 3 151.614 -5.601 7.029 17 HE1 TRP 3 HE1 TRP 3 154.000 -4.641 7.147 18 HE3 TRP 3 HE3 TRP 3 153.658 -8.908 10.348 19 HZ2 TRP 3 HZ2 TRP 3 156.427 -5.210 8.471 20 HZ3 TRP 3 HZ3 TRP 3 156.018 -8.631 10.989 21 HH2 TRP 3 HH2 TRP 3 157.374 -6.820 10.068 22 H GLU 4 HN GLU 4 147.755 -6.510 9.950 23 HA GLU 4 HA GLU 4 146.603 -9.132 9.355 24 1HB GLU 4 HB2 GLU 4 146.937 -8.272 11.980 25 2HB GLU 4 HB1 GLU 4 145.249 -7.925 11.625 26 1HG GLU 4 HG2 GLU 4 145.215 -10.355 10.711 27 2HG GLU 4 HG1 GLU 4 146.671 -10.548 11.685 28 H ILE 5 HN ILE 5 145.102 -8.849 7.873 29 HA ILE 5 HA ILE 5 143.956 -6.320 7.305 30 HB ILE 5 HB ILE 5 144.448 -7.956 5.535 31 1HG1 ILE 5 HG12 ILE 5 141.468 -7.550 5.571 32 2HG1 ILE 5 HG11 ILE 5 142.566 -6.180 5.432 33 1HG2 ILE 5 HG21 ILE 5 143.853 -9.977 6.801 34 2HG2 ILE 5 HG22 ILE 5 143.067 -9.919 5.223 35 3HG2 ILE 5 HG23 ILE 5 142.150 -9.534 6.679 36 1HD1 ILE 5 HD11 ILE 5 141.847 -6.831 3.249 37 2HD1 ILE 5 HD12 ILE 5 142.322 -8.503 3.543 38 3HD1 ILE 5 HD13 ILE 5 143.552 -7.245 3.428 39 H ILE 6 HN ILE 6 141.572 -5.974 7.145 40 HA ILE 6 HA ILE 6 140.103 -7.477 9.204 41 HB ILE 6 HB ILE 6 138.880 -5.142 9.506 42 1HG1 ILE 6 HG12 ILE 6 141.595 -4.000 9.384 43 2HG1 ILE 6 HG11 ILE 6 140.864 -4.326 7.818 44 1HG2 ILE 6 HG21 ILE 6 140.323 -6.687 11.082 45 2HG2 ILE 6 HG22 ILE 6 139.851 -5.059 11.569 46 3HG2 ILE 6 HG23 ILE 6 141.472 -5.357 10.941 47 1HD1 ILE 6 HD11 ILE 6 139.342 -2.685 8.039 48 2HD1 ILE 6 HD12 ILE 6 140.543 -2.036 9.155 49 3HD1 ILE 6 HD13 ILE 6 139.160 -2.938 9.774 50 H GLU 7 HN GLU 7 139.427 -4.925 6.781 51 HA GLU 7 HA GLU 7 137.049 -6.464 5.994 52 1HB GLU 7 HB2 GLU 7 137.646 -3.541 5.518 53 2HB GLU 7 HB1 GLU 7 136.149 -4.372 5.123 54 1HG GLU 7 HG2 GLU 7 135.688 -4.747 7.456 55 2HG GLU 7 HG1 GLU 7 137.244 -4.050 7.906 56 H ILE 8 HN ILE 8 136.404 -6.008 3.626 57 HA ILE 8 HA ILE 8 138.805 -6.189 1.924 58 HB ILE 8 HB ILE 8 136.248 -7.714 1.446 59 1HG1 ILE 8 HG12 ILE 8 138.146 -9.599 2.019 60 2HG1 ILE 8 HG11 ILE 8 138.577 -8.317 3.146 61 1HG2 ILE 8 HG21 ILE 8 137.409 -7.371 -0.587 62 2HG2 ILE 8 HG22 ILE 8 137.770 -9.021 -0.079 63 3HG2 ILE 8 HG23 ILE 8 138.965 -7.745 0.157 64 1HD1 ILE 8 HD11 ILE 8 137.082 -9.319 4.472 65 2HD1 ILE 8 HD12 ILE 8 136.271 -10.121 3.126 66 3HD1 ILE 8 HD13 ILE 8 135.899 -8.440 3.505 67 H GLY 9 HN GLY 9 135.842 -4.613 2.490 68 1HA GLY 9 HA2 GLY 9 135.257 -3.914 -0.233 69 2HA GLY 9 HA1 GLY 9 134.524 -3.217 1.202 70 HA PRO 10 HA PRO 10 136.680 0.529 0.191 71 1HB PRO 10 HB2 PRO 10 136.782 1.594 2.737 72 2HB PRO 10 HB1 PRO 10 135.393 1.717 1.655 73 1HG PRO 10 HG2 PRO 10 135.877 -0.184 3.908 74 2HG PRO 10 HG1 PRO 10 134.380 0.644 3.440 75 1HD PRO 10 HD2 PRO 10 134.804 -1.938 2.844 76 2HD PRO 10 HD1 PRO 10 133.938 -0.860 1.730 77 H PHE 11 HN PHE 11 137.702 -1.609 2.760 78 HA PHE 11 HA PHE 11 140.108 -0.616 3.562 79 1HB PHE 11 HB2 PHE 11 139.067 -2.687 4.415 80 2HB PHE 11 HB1 PHE 11 139.498 -3.508 2.920 81 HD1 PHE 11 HD1 PHE 11 140.440 -2.929 6.226 82 HD2 PHE 11 HD2 PHE 11 142.079 -3.403 2.329 83 HE1 PHE 11 HE1 PHE 11 142.595 -3.588 7.215 84 HE2 PHE 11 HE2 PHE 11 144.236 -4.057 3.312 85 HZ PHE 11 HZ PHE 11 144.491 -4.159 5.754 86 H THR 12 HN THR 12 139.534 -2.632 0.693 87 HA THR 12 HA THR 12 142.257 -2.441 -0.190 88 HB THR 12 HB THR 12 140.694 -3.263 -2.354 89 HG1 THR 12 HG1 THR 12 139.299 -4.787 -1.397 90 1HG2 THR 12 HG21 THR 12 142.769 -4.295 -0.940 91 2HG2 THR 12 HG22 THR 12 141.906 -5.129 -2.232 92 3HG2 THR 12 HG23 THR 12 141.467 -5.419 -0.551 93 H GLN 13 HN GLN 13 139.171 -1.264 -1.531 94 HA GLN 13 HA GLN 13 140.127 0.216 -3.633 95 1HB GLN 13 HB2 GLN 13 137.760 -0.163 -3.259 96 2HB GLN 13 HB1 GLN 13 137.795 0.851 -1.825 97 1HG GLN 13 HG2 GLN 13 137.074 2.456 -3.196 98 2HG GLN 13 HG1 GLN 13 138.757 2.556 -3.709 99 1HE2 GLN 13 HE21 GLN 13 139.011 2.572 -5.813 100 2HE2 GLN 13 HE22 GLN 13 137.996 1.793 -6.974 101 H ASN 14 HN ASN 14 139.982 1.164 -0.230 102 HA ASN 14 HA ASN 14 140.495 3.856 -0.419 103 1HB ASN 14 HB2 ASN 14 140.880 1.789 1.617 104 2HB ASN 14 HB1 ASN 14 142.035 3.111 1.752 105 1HD2 ASN 14 HD21 ASN 14 138.605 2.351 1.578 106 2HD2 ASN 14 HD22 ASN 14 138.066 3.742 2.450 107 H LEU 15 HN LEU 15 143.006 1.333 -0.023 108 HA LEU 15 HA LEU 15 145.193 2.991 -0.393 109 1HB LEU 15 HB2 LEU 15 144.853 0.295 -0.040 110 2HB LEU 15 HB1 LEU 15 145.461 0.365 -1.682 111 HG LEU 15 HG LEU 15 147.201 0.041 0.109 112 1HD1 LEU 15 HD11 LEU 15 147.719 2.583 -1.377 113 2HD1 LEU 15 HD12 LEU 15 147.507 1.062 -2.245 114 3HD1 LEU 15 HD13 LEU 15 148.805 1.229 -1.061 115 1HD2 LEU 15 HD21 LEU 15 146.804 2.968 0.664 116 2HD2 LEU 15 HD22 LEU 15 147.849 1.824 1.505 117 3HD2 LEU 15 HD23 LEU 15 146.097 1.705 1.671 118 H GLY 16 HN GLY 16 142.879 1.784 -2.671 119 1HA GLY 16 HA2 GLY 16 144.269 2.099 -5.078 120 2HA GLY 16 HA1 GLY 16 142.529 2.285 -4.886 121 H LYS 17 HN LYS 17 142.497 4.453 -3.095 122 HA LYS 17 HA LYS 17 142.735 6.632 -4.877 123 1HB LYS 17 HB2 LYS 17 142.391 6.447 -1.888 124 2HB LYS 17 HB1 LYS 17 142.527 7.999 -2.701 125 1HG LYS 17 HG2 LYS 17 140.602 6.904 -4.197 126 2HG LYS 17 HG1 LYS 17 140.306 6.055 -2.679 127 1HD LYS 17 HD2 LYS 17 140.626 8.586 -1.780 128 2HD LYS 17 HD1 LYS 17 139.927 8.894 -3.371 129 1HE LYS 17 HE2 LYS 17 138.080 8.733 -1.942 130 2HE LYS 17 HE1 LYS 17 138.162 7.160 -2.733 131 1HZ LYS 17 HZ1 LYS 17 137.960 6.465 -0.609 132 2HZ LYS 17 HZ2 LYS 17 138.643 7.863 0.051 133 3HZ LYS 17 HZ3 LYS 17 139.640 6.666 -0.605 134 H PHE 18 HN PHE 18 144.710 5.611 -2.109 135 HA PHE 18 HA PHE 18 146.708 7.596 -2.484 136 1HB PHE 18 HB2 PHE 18 146.341 5.211 -0.774 137 2HB PHE 18 HB1 PHE 18 148.010 5.672 -1.091 138 HD1 PHE 18 HD1 PHE 18 148.030 8.521 -1.081 139 HD2 PHE 18 HD2 PHE 18 145.754 5.865 1.343 140 HE1 PHE 18 HE1 PHE 18 147.891 10.245 0.669 141 HE2 PHE 18 HE2 PHE 18 145.610 7.584 3.097 142 HZ PHE 18 HZ PHE 18 146.679 9.777 2.762 143 H ALA 19 HN ALA 19 145.955 4.759 -4.128 144 HA ALA 19 HA ALA 19 148.488 3.822 -4.903 145 1HB ALA 19 HB1 ALA 19 146.072 3.671 -6.676 146 2HB ALA 19 HB2 ALA 19 146.181 2.720 -5.196 147 3HB ALA 19 HB3 ALA 19 147.374 2.499 -6.475 148 H VAL 20 HN VAL 20 146.174 5.770 -6.802 149 HA VAL 20 HA VAL 20 147.947 6.451 -8.853 150 HB VAL 20 HB VAL 20 145.520 6.784 -9.037 151 1HG1 VAL 20 HG11 VAL 20 145.057 7.557 -6.781 152 2HG1 VAL 20 HG12 VAL 20 144.446 8.712 -7.966 153 3HG1 VAL 20 HG13 VAL 20 145.941 9.051 -7.094 154 1HG2 VAL 20 HG21 VAL 20 147.217 9.243 -9.416 155 2HG2 VAL 20 HG22 VAL 20 145.578 9.077 -10.050 156 3HG2 VAL 20 HG23 VAL 20 146.852 7.988 -10.602 157 H ASP 21 HN ASP 21 147.284 7.983 -5.747 158 HA ASP 21 HA ASP 21 148.927 10.271 -6.236 159 1HB ASP 21 HB2 ASP 21 147.723 9.081 -3.741 160 2HB ASP 21 HB1 ASP 21 148.755 10.507 -3.694 161 H GLU 22 HN GLU 22 149.520 7.028 -5.247 162 HA GLU 22 HA GLU 22 152.095 7.615 -4.050 163 1HB GLU 22 HB2 GLU 22 150.806 5.831 -3.062 164 2HB GLU 22 HB1 GLU 22 150.650 5.022 -4.614 165 1HG GLU 22 HG2 GLU 22 153.050 4.593 -4.639 166 2HG GLU 22 HG1 GLU 22 153.217 5.417 -3.091 167 H GLU 23 HN GLU 23 150.795 6.340 -7.054 168 HA GLU 23 HA GLU 23 153.036 5.233 -8.213 169 1HB GLU 23 HB2 GLU 23 150.549 5.590 -9.071 170 2HB GLU 23 HB1 GLU 23 151.285 6.946 -9.914 171 1HG GLU 23 HG2 GLU 23 152.618 4.308 -10.130 172 2HG GLU 23 HG1 GLU 23 151.097 4.538 -10.992 173 H ASN 24 HN ASN 24 152.316 8.579 -7.633 174 HA ASN 24 HA ASN 24 154.200 9.680 -9.458 175 1HB ASN 24 HB2 ASN 24 152.578 10.708 -7.179 176 2HB ASN 24 HB1 ASN 24 153.958 11.669 -7.703 177 1HD2 ASN 24 HD21 ASN 24 151.170 9.936 -9.047 178 2HD2 ASN 24 HD22 ASN 24 150.802 11.115 -10.255 179 H LYS 25 HN LYS 25 154.389 8.535 -6.152 180 HA LYS 25 HA LYS 25 156.911 9.708 -5.555 181 1HB LYS 25 HB2 LYS 25 155.000 7.993 -4.230 182 2HB LYS 25 HB1 LYS 25 156.634 7.393 -3.982 183 1HG LYS 25 HG2 LYS 25 156.149 10.292 -3.584 184 2HG LYS 25 HG1 LYS 25 155.531 9.169 -2.370 185 1HD LYS 25 HD2 LYS 25 158.326 8.780 -3.281 186 2HD LYS 25 HD1 LYS 25 157.996 10.189 -2.269 187 1HE LYS 25 HE2 LYS 25 156.940 8.697 -0.606 188 2HE LYS 25 HE1 LYS 25 157.375 7.312 -1.604 189 1HZ LYS 25 HZ1 LYS 25 159.613 7.590 -1.157 190 2HZ LYS 25 HZ2 LYS 25 158.905 7.973 0.330 191 3HZ LYS 25 HZ3 LYS 25 159.443 9.208 -0.694 192 H ILE 26 HN ILE 26 156.432 6.198 -5.509 193 HA ILE 26 HA ILE 26 159.014 5.495 -6.117 194 HB ILE 26 HB ILE 26 157.232 3.950 -5.339 195 1HG1 ILE 26 HG12 ILE 26 158.112 1.988 -6.428 196 2HG1 ILE 26 HG11 ILE 26 158.639 2.940 -7.811 197 1HG2 ILE 26 HG21 ILE 26 156.361 4.066 -8.211 198 2HG2 ILE 26 HG22 ILE 26 155.425 4.503 -6.781 199 3HG2 ILE 26 HG23 ILE 26 155.853 2.817 -7.073 200 1HD1 ILE 26 HD11 ILE 26 160.228 2.189 -5.761 201 2HD1 ILE 26 HD12 ILE 26 159.740 3.800 -5.234 202 3HD1 ILE 26 HD13 ILE 26 160.529 3.583 -6.797 203 H GLY 27 HN GLY 27 156.410 6.313 -8.339 204 1HA GLY 27 HA2 GLY 27 158.177 5.778 -10.623 205 2HA GLY 27 HA1 GLY 27 156.441 6.038 -10.708 206 H GLN 28 HN GLN 28 159.208 7.357 -11.642 207 HA GLN 28 HA GLN 28 159.148 10.026 -10.814 208 1HB GLN 28 HB2 GLN 28 160.097 8.825 -13.421 209 2HB GLN 28 HB1 GLN 28 160.409 10.482 -12.926 210 1HG GLN 28 HG2 GLN 28 161.196 8.693 -10.837 211 2HG GLN 28 HG1 GLN 28 161.924 8.190 -12.360 212 1HE2 GLN 28 HE21 GLN 28 161.361 11.087 -10.401 213 2HE2 GLN 28 HE22 GLN 28 162.876 11.836 -10.761 214 H TYR 29 HN TYR 29 157.266 8.316 -13.198 215 HA TYR 29 HA TYR 29 155.800 10.808 -13.760 216 1HB TYR 29 HB2 TYR 29 157.256 9.518 -15.633 217 2HB TYR 29 HB1 TYR 29 155.729 8.660 -15.802 218 HD1 TYR 29 HD1 TYR 29 153.605 10.203 -16.004 219 HD2 TYR 29 HD2 TYR 29 157.580 11.471 -16.831 220 HE1 TYR 29 HE1 TYR 29 152.725 12.035 -17.386 221 HE2 TYR 29 HE2 TYR 29 156.711 13.307 -18.215 222 HH TYR 29 HH TYR 29 153.559 13.459 -19.303 223 H GLY 30 HN GLY 30 153.794 10.737 -13.004 224 1HA GLY 30 HA2 GLY 30 152.606 8.204 -12.246 225 2HA GLY 30 HA1 GLY 30 151.942 9.801 -11.943 226 H ARG 31 HN ARG 31 150.294 7.776 -12.749 227 HA ARG 31 HA ARG 31 149.173 8.890 -15.136 228 1HB ARG 31 HB2 ARG 31 150.974 6.725 -15.442 229 2HB ARG 31 HB1 ARG 31 149.361 6.089 -15.724 230 1HG ARG 31 HG2 ARG 31 149.476 8.519 -17.110 231 2HG ARG 31 HG1 ARG 31 151.008 7.705 -17.427 232 1HD ARG 31 HD2 ARG 31 150.030 6.035 -18.598 233 2HD ARG 31 HD1 ARG 31 148.593 6.017 -17.577 234 HE ARG 31 HE ARG 31 147.576 7.400 -19.077 235 1HH1 ARG 31 HH11 ARG 31 151.026 7.608 -19.557 236 2HH1 ARG 31 HH12 ARG 31 150.897 8.608 -20.964 237 1HH2 ARG 31 HH21 ARG 31 147.403 8.716 -20.930 238 2HH2 ARG 31 HH22 ARG 31 148.840 9.237 -21.743 239 H LEU 32 HN LEU 32 147.300 7.222 -15.874 240 HA LEU 32 HA LEU 32 145.522 7.132 -13.655 241 1HB LEU 32 HB2 LEU 32 145.321 6.143 -16.490 242 2HB LEU 32 HB1 LEU 32 144.025 5.920 -15.330 243 HG LEU 32 HG LEU 32 144.243 8.525 -15.038 244 1HD1 LEU 32 HD11 LEU 32 145.438 8.040 -17.760 245 2HD1 LEU 32 HD12 LEU 32 146.182 8.876 -16.396 246 3HD1 LEU 32 HD13 LEU 32 144.794 9.589 -17.217 247 1HD2 LEU 32 HD21 LEU 32 142.979 7.370 -17.518 248 2HD2 LEU 32 HD22 LEU 32 142.489 8.819 -16.640 249 3HD2 LEU 32 HD23 LEU 32 142.294 7.231 -15.899 250 H THR 33 HN THR 33 144.811 5.442 -12.442 251 HA THR 33 HA THR 33 145.408 2.712 -13.086 252 HB THR 33 HB THR 33 146.653 3.576 -10.515 253 HG1 THR 33 HG1 THR 33 147.870 4.889 -11.637 254 1HG2 THR 33 HG21 THR 33 147.279 1.442 -12.533 255 2HG2 THR 33 HG22 THR 33 146.643 1.235 -10.901 256 3HG2 THR 33 HG23 THR 33 148.293 1.811 -11.138 257 H PHE 34 HN PHE 34 143.072 4.264 -12.489 258 HA PHE 34 HA PHE 34 142.267 3.212 -9.867 259 1HB PHE 34 HB2 PHE 34 141.986 5.729 -10.807 260 2HB PHE 34 HB1 PHE 34 140.454 5.038 -11.329 261 HD1 PHE 34 HD1 PHE 34 138.687 5.283 -9.898 262 HD2 PHE 34 HD2 PHE 34 142.615 5.034 -8.283 263 HE1 PHE 34 HE1 PHE 34 137.773 5.602 -7.637 264 HE2 PHE 34 HE2 PHE 34 141.709 5.352 -6.018 265 HZ PHE 34 HZ PHE 34 139.284 5.636 -5.692 266 H ASN 35 HN ASN 35 142.432 1.584 -12.335 267 HA ASN 35 HA ASN 35 139.811 1.154 -13.332 268 1HB ASN 35 HB2 ASN 35 142.084 0.446 -14.349 269 2HB ASN 35 HB1 ASN 35 141.939 -0.968 -13.310 270 1HD2 ASN 35 HD21 ASN 35 140.870 -2.646 -14.075 271 2HD2 ASN 35 HD22 ASN 35 139.804 -2.635 -15.434 272 H LYS 36 HN LYS 36 141.775 -1.034 -11.292 273 HA LYS 36 HA LYS 36 139.475 -1.526 -9.588 274 1HB LYS 36 HB2 LYS 36 140.360 -3.399 -11.664 275 2HB LYS 36 HB1 LYS 36 140.247 -4.122 -10.065 276 1HG LYS 36 HG2 LYS 36 137.913 -3.121 -9.949 277 2HG LYS 36 HG1 LYS 36 138.080 -2.819 -11.679 278 1HD LYS 36 HD2 LYS 36 138.786 -5.540 -10.813 279 2HD LYS 36 HD1 LYS 36 137.088 -5.106 -10.607 280 1HE LYS 36 HE2 LYS 36 136.709 -4.983 -12.838 281 2HE LYS 36 HE1 LYS 36 138.326 -4.375 -13.187 282 1HZ LYS 36 HZ1 LYS 36 138.164 -7.121 -12.247 283 2HZ LYS 36 HZ2 LYS 36 139.144 -6.443 -13.446 284 3HZ LYS 36 HZ3 LYS 36 137.534 -6.830 -13.791 285 H VAL 37 HN VAL 37 140.708 -0.722 -7.888 286 HA VAL 37 HA VAL 37 143.242 -2.035 -7.281 287 HB VAL 37 HB VAL 37 141.959 0.142 -5.649 288 1HG1 VAL 37 HG11 VAL 37 143.850 0.136 -4.472 289 2HG1 VAL 37 HG12 VAL 37 144.845 0.142 -5.928 290 3HG1 VAL 37 HG13 VAL 37 144.241 -1.383 -5.280 291 1HG2 VAL 37 HG21 VAL 37 142.113 1.482 -7.431 292 2HG2 VAL 37 HG22 VAL 37 143.068 0.313 -8.339 293 3HG2 VAL 37 HG23 VAL 37 143.859 1.397 -7.194 294 H ILE 38 HN ILE 38 142.862 -4.022 -6.405 295 HA ILE 38 HA ILE 38 141.707 -4.071 -3.773 296 HB ILE 38 HB ILE 38 140.149 -5.996 -4.371 297 1HG1 ILE 38 HG12 ILE 38 139.965 -4.828 -7.105 298 2HG1 ILE 38 HG11 ILE 38 141.287 -5.950 -6.794 299 1HG2 ILE 38 HG21 ILE 38 138.375 -4.559 -4.513 300 2HG2 ILE 38 HG22 ILE 38 139.183 -3.501 -5.671 301 3HG2 ILE 38 HG23 ILE 38 139.636 -3.454 -3.968 302 1HD1 ILE 38 HD11 ILE 38 138.808 -6.998 -5.784 303 2HD1 ILE 38 HD12 ILE 38 139.929 -7.686 -6.959 304 3HD1 ILE 38 HD13 ILE 38 138.669 -6.573 -7.490 305 H LYS 39 HN LYS 39 141.377 -7.164 -4.988 306 HA LYS 39 HA LYS 39 142.580 -9.072 -4.904 307 1HB LYS 39 HB2 LYS 39 144.539 -7.074 -5.688 308 2HB LYS 39 HB1 LYS 39 145.265 -8.382 -4.764 309 1HG LYS 39 HG2 LYS 39 145.428 -9.344 -6.785 310 2HG LYS 39 HG1 LYS 39 143.759 -9.815 -6.457 311 1HD LYS 39 HD2 LYS 39 143.170 -7.545 -7.568 312 2HD LYS 39 HD1 LYS 39 144.801 -7.641 -8.231 313 1HE LYS 39 HE2 LYS 39 142.803 -9.874 -8.491 314 2HE LYS 39 HE1 LYS 39 142.936 -8.573 -9.673 315 1HZ LYS 39 HZ1 LYS 39 145.477 -9.345 -9.486 316 2HZ LYS 39 HZ2 LYS 39 144.393 -9.978 -10.618 317 3HZ LYS 39 HZ3 LYS 39 144.704 -10.820 -9.185 318 HA PRO 40 HA PRO 40 143.435 -10.145 -0.747 319 1HB PRO 40 HB2 PRO 40 145.889 -11.473 -0.975 320 2HB PRO 40 HB1 PRO 40 144.292 -12.206 -1.140 321 1HG PRO 40 HG2 PRO 40 146.178 -11.273 -3.251 322 2HG PRO 40 HG1 PRO 40 145.088 -12.673 -3.253 323 1HD PRO 40 HD2 PRO 40 144.502 -10.462 -4.636 324 2HD PRO 40 HD1 PRO 40 143.233 -11.380 -3.798 325 H CYS 41 HN CYS 41 143.769 -7.941 -0.145 326 HA CYS 41 HA CYS 41 146.495 -6.941 -0.046 327 1HB CYS 41 HB2 CYS 41 145.502 -4.880 0.761 328 2HB CYS 41 HB1 CYS 41 144.601 -5.457 -0.636 329 HG CYS 41 HG CYS 41 142.861 -4.757 1.108 330 H MET 42 HN MET 42 146.589 -5.520 2.258 331 HA MET 42 HA MET 42 145.800 -6.827 4.603 332 1HB MET 42 HB2 MET 42 147.654 -8.365 3.388 333 2HB MET 42 HB1 MET 42 148.710 -7.310 4.317 334 1HG MET 42 HG2 MET 42 147.063 -7.936 6.269 335 2HG MET 42 HG1 MET 42 146.748 -9.339 5.247 336 1HE MET 42 HE1 MET 42 148.919 -11.461 5.002 337 2HE MET 42 HE2 MET 42 147.464 -11.194 5.963 338 3HE MET 42 HE3 MET 42 148.974 -11.645 6.754 339 H LYS 43 HN LYS 43 145.972 -5.388 6.197 340 HA LYS 43 HA LYS 43 148.151 -3.424 6.129 341 1HB LYS 43 HB2 LYS 43 146.082 -2.429 5.123 342 2HB LYS 43 HB1 LYS 43 145.269 -2.687 6.660 343 1HG LYS 43 HG2 LYS 43 147.805 -1.186 6.762 344 2HG LYS 43 HG1 LYS 43 146.439 -0.385 5.983 345 1HD LYS 43 HD2 LYS 43 145.165 -0.392 7.922 346 2HD LYS 43 HD1 LYS 43 146.090 -1.708 8.645 347 1HE LYS 43 HE2 LYS 43 148.054 0.015 8.548 348 2HE LYS 43 HE1 LYS 43 146.752 1.198 8.448 349 1HZ LYS 43 HZ1 LYS 43 147.730 0.374 10.742 350 2HZ LYS 43 HZ2 LYS 43 146.559 -0.829 10.542 351 3HZ LYS 43 HZ3 LYS 43 146.101 0.799 10.568 352 H LYS 44 HN LYS 44 148.483 -2.333 8.185 353 HA LYS 44 HA LYS 44 147.180 -3.226 10.550 354 1HB LYS 44 HB2 LYS 44 148.862 -5.097 9.740 355 2HB LYS 44 HB1 LYS 44 150.035 -4.054 10.526 356 1HG LYS 44 HG2 LYS 44 149.162 -5.865 11.976 357 2HG LYS 44 HG1 LYS 44 148.909 -4.245 12.625 358 1HD LYS 44 HD2 LYS 44 146.691 -5.141 10.971 359 2HD LYS 44 HD1 LYS 44 146.994 -6.223 12.330 360 1HE LYS 44 HE2 LYS 44 147.193 -3.717 13.460 361 2HE LYS 44 HE1 LYS 44 145.885 -3.530 12.293 362 1HZ LYS 44 HZ1 LYS 44 146.049 -5.439 14.550 363 2HZ LYS 44 HZ2 LYS 44 144.918 -5.607 13.302 364 3HZ LYS 44 HZ3 LYS 44 144.893 -4.232 14.286 365 H THR 45 HN THR 45 148.126 -2.217 12.485 366 HA THR 45 HA THR 45 149.397 0.272 11.786 367 HB THR 45 HB THR 45 148.803 0.518 14.431 368 HG1 THR 45 HG1 THR 45 147.305 -0.822 14.982 369 1HG2 THR 45 HG21 THR 45 147.358 2.089 13.782 370 2HG2 THR 45 HG22 THR 45 146.474 0.986 12.727 371 3HG2 THR 45 HG23 THR 45 147.968 1.736 12.165 372 H ILE 46 HN ILE 46 150.830 1.178 13.644 373 HA ILE 46 HA ILE 46 152.625 -0.908 14.666 374 HB ILE 46 HB ILE 46 153.810 1.614 13.582 375 1HG1 ILE 46 HG12 ILE 46 152.448 0.662 11.741 376 2HG1 ILE 46 HG11 ILE 46 154.176 0.587 11.409 377 1HG2 ILE 46 HG21 ILE 46 154.886 -0.376 14.998 378 2HG2 ILE 46 HG22 ILE 46 155.794 0.553 13.804 379 3HG2 ILE 46 HG23 ILE 46 155.129 -1.023 13.375 380 1HD1 ILE 46 HD11 ILE 46 154.176 -1.642 11.317 381 2HD1 ILE 46 HD12 ILE 46 152.433 -1.467 11.106 382 3HD1 ILE 46 HD13 ILE 46 153.099 -1.800 12.703 383 H TYR 47 HN TYR 47 150.900 0.078 16.373 384 HA TYR 47 HA TYR 47 151.990 2.453 17.657 385 1HB TYR 47 HB2 TYR 47 150.046 2.358 19.104 386 2HB TYR 47 HB1 TYR 47 149.534 2.178 17.430 387 HD1 TYR 47 HD1 TYR 47 149.865 0.515 20.671 388 HD2 TYR 47 HD2 TYR 47 148.656 0.057 16.617 389 HE1 TYR 47 HE1 TYR 47 148.685 -1.559 21.264 390 HE2 TYR 47 HE2 TYR 47 147.473 -2.019 17.199 391 HH TYR 47 HH TYR 47 146.802 -2.926 20.371 392 H GLU 48 HN GLU 48 153.003 2.499 19.614 393 HA GLU 48 HA GLU 48 154.264 0.082 20.463 394 1HB GLU 48 HB2 GLU 48 155.499 2.165 20.513 395 2HB GLU 48 HB1 GLU 48 154.331 2.856 21.629 396 1HG GLU 48 HG2 GLU 48 156.346 2.203 22.793 397 2HG GLU 48 HG1 GLU 48 154.982 1.221 23.323 398 H ASN 49 HN ASN 49 152.762 2.411 22.577 399 HA ASN 49 HA ASN 49 150.719 0.724 23.561 400 1HB ASN 49 HB2 ASN 49 153.373 0.505 24.822 401 2HB ASN 49 HB1 ASN 49 152.049 0.785 25.950 402 1HD2 ASN 49 HD21 ASN 49 149.998 -0.578 24.880 403 2HD2 ASN 49 HD22 ASN 49 150.361 -2.265 24.802 404 H GLU 50 HN GLU 50 153.034 3.159 24.737 405 HA GLU 50 HA GLU 50 150.800 4.698 25.846 406 1HB GLU 50 HB2 GLU 50 153.170 4.097 26.982 407 2HB GLU 50 HB1 GLU 50 153.597 5.619 26.215 408 1HG GLU 50 HG2 GLU 50 151.440 6.501 27.352 409 2HG GLU 50 HG1 GLU 50 151.620 5.085 28.385 410 H ARG 51 HN ARG 51 151.233 4.530 23.004 411 HA ARG 51 HA ARG 51 151.180 5.877 21.175 412 1HB ARG 51 HB2 ARG 51 149.717 7.294 22.570 413 2HB ARG 51 HB1 ARG 51 151.133 8.127 23.196 414 1HG ARG 51 HG2 ARG 51 151.406 8.338 20.453 415 2HG ARG 51 HG1 ARG 51 149.673 8.537 20.727 416 1HD ARG 51 HD2 ARG 51 151.212 10.017 22.672 417 2HD ARG 51 HD1 ARG 51 151.667 10.467 21.030 418 HE ARG 51 HE ARG 51 148.969 10.525 20.946 419 1HH1 ARG 51 HH11 ARG 51 151.308 11.962 23.102 420 2HH1 ARG 51 HH12 ARG 51 150.317 13.336 23.461 421 1HH2 ARG 51 HH21 ARG 51 147.665 12.331 21.418 422 2HH2 ARG 51 HH22 ARG 51 148.248 13.546 22.507 423 H GLU 52 HN GLU 52 153.628 4.892 21.805 424 HA GLU 52 HA GLU 52 155.533 7.077 21.803 425 1HB GLU 52 HB2 GLU 52 155.815 4.093 21.918 426 2HB GLU 52 HB1 GLU 52 157.206 5.129 21.639 427 1HG GLU 52 HG2 GLU 52 156.993 6.153 23.751 428 2HG GLU 52 HG1 GLU 52 155.386 5.472 23.999 429 H ILE 53 HN ILE 53 153.996 5.019 19.547 430 HA ILE 53 HA ILE 53 155.527 6.275 17.416 431 HB ILE 53 HB ILE 53 156.674 4.285 17.388 432 1HG1 ILE 53 HG12 ILE 53 154.353 3.810 15.509 433 2HG1 ILE 53 HG11 ILE 53 155.803 4.734 15.152 434 1HG2 ILE 53 HG21 ILE 53 154.900 2.147 17.381 435 2HG2 ILE 53 HG22 ILE 53 154.326 3.236 18.640 436 3HG2 ILE 53 HG23 ILE 53 155.984 2.643 18.678 437 1HD1 ILE 53 HD11 ILE 53 157.147 2.724 15.339 438 2HD1 ILE 53 HD12 ILE 53 155.856 2.510 14.157 439 3HD1 ILE 53 HD13 ILE 53 155.712 1.789 15.760 440 H LYS 54 HN LYS 54 153.209 3.703 17.096 441 HA LYS 54 HA LYS 54 151.050 3.634 16.345 442 1HB LYS 54 HB2 LYS 54 151.043 5.984 17.646 443 2HB LYS 54 HB1 LYS 54 150.786 6.567 16.007 444 1HG LYS 54 HG2 LYS 54 148.703 5.709 15.880 445 2HG LYS 54 HG1 LYS 54 149.103 4.301 16.866 446 1HD LYS 54 HD2 LYS 54 148.506 5.323 18.786 447 2HD LYS 54 HD1 LYS 54 149.182 6.873 18.286 448 1HE LYS 54 HE2 LYS 54 147.244 7.340 16.937 449 2HE LYS 54 HE1 LYS 54 146.594 5.731 17.245 450 1HZ LYS 54 HZ1 LYS 54 146.881 6.625 19.730 451 2HZ LYS 54 HZ2 LYS 54 145.462 6.829 18.832 452 3HZ LYS 54 HZ3 LYS 54 146.584 8.090 18.939 453 H GLY 55 HN GLY 55 152.854 3.074 14.534 454 1HA GLY 55 HA2 GLY 55 152.631 4.810 12.210 455 2HA GLY 55 HA1 GLY 55 153.546 3.311 12.311 456 H TYR 56 HN TYR 56 152.620 2.800 10.216 457 HA TYR 56 HA TYR 56 150.474 1.021 10.401 458 1HB TYR 56 HB2 TYR 56 148.796 2.242 9.004 459 2HB TYR 56 HB1 TYR 56 149.011 2.909 10.618 460 HD1 TYR 56 HD1 TYR 56 150.295 5.026 10.909 461 HD2 TYR 56 HD2 TYR 56 149.266 3.530 7.063 462 HE1 TYR 56 HE1 TYR 56 150.725 7.243 9.939 463 HE2 TYR 56 HE2 TYR 56 149.694 5.743 6.080 464 HH TYR 56 HH TYR 56 151.087 8.355 7.960 465 H GLU 57 HN GLU 57 151.073 -0.449 8.996 466 HA GLU 57 HA GLU 57 152.377 0.403 6.507 467 1HB GLU 57 HB2 GLU 57 152.277 -2.418 7.552 468 2HB GLU 57 HB1 GLU 57 153.399 -1.727 6.389 469 1HG GLU 57 HG2 GLU 57 154.462 -0.431 8.116 470 2HG GLU 57 HG1 GLU 57 153.273 -0.974 9.299 471 H TYR 58 HN TYR 58 151.257 0.376 4.698 472 HA TYR 58 HA TYR 58 148.873 -1.349 4.565 473 1HB TYR 58 HB2 TYR 58 148.971 1.382 4.351 474 2HB TYR 58 HB1 TYR 58 149.004 0.881 2.665 475 HD1 TYR 58 HD1 TYR 58 147.303 -1.565 2.819 476 HD2 TYR 58 HD2 TYR 58 146.819 2.274 4.589 477 HE1 TYR 58 HE1 TYR 58 144.869 -1.904 2.876 478 HE2 TYR 58 HE2 TYR 58 144.383 1.945 4.651 479 HH TYR 58 HH TYR 58 142.848 -0.760 3.080 480 H GLN 59 HN GLN 59 149.081 -3.018 3.272 481 HA GLN 59 HA GLN 59 150.707 -2.748 0.829 482 1HB GLN 59 HB2 GLN 59 150.311 -5.130 2.644 483 2HB GLN 59 HB1 GLN 59 150.965 -5.274 1.019 484 1HG GLN 59 HG2 GLN 59 152.964 -4.415 1.595 485 2HG GLN 59 HG1 GLN 59 152.268 -3.291 2.763 486 1HE2 GLN 59 HE21 GLN 59 153.501 -3.711 4.504 487 2HE2 GLN 59 HE22 GLN 59 153.596 -5.248 5.289 488 H LEU 60 HN LEU 60 149.414 -2.671 -0.914 489 HA LEU 60 HA LEU 60 147.084 -4.410 -0.949 490 1HB LEU 60 HB2 LEU 60 146.920 -1.686 -0.695 491 2HB LEU 60 HB1 LEU 60 146.701 -1.922 -2.417 492 HG LEU 60 HG LEU 60 145.029 -3.818 -1.283 493 1HD1 LEU 60 HD11 LEU 60 144.004 -1.492 0.091 494 2HD1 LEU 60 HD12 LEU 60 145.560 -2.001 0.747 495 3HD1 LEU 60 HD13 LEU 60 144.219 -3.144 0.673 496 1HD2 LEU 60 HD21 LEU 60 144.646 -2.363 -3.262 497 2HD2 LEU 60 HD22 LEU 60 144.259 -1.044 -2.159 498 3HD2 LEU 60 HD23 LEU 60 143.254 -2.491 -2.188 499 H TYR 61 HN TYR 61 146.172 -4.799 -3.120 500 HA TYR 61 HA TYR 61 148.305 -4.820 -5.155 501 1HB TYR 61 HB2 TYR 61 146.258 -6.844 -4.361 502 2HB TYR 61 HB1 TYR 61 146.786 -6.793 -6.040 503 HD1 TYR 61 HD1 TYR 61 148.865 -7.718 -6.684 504 HD2 TYR 61 HD2 TYR 61 147.961 -7.235 -2.555 505 HE1 TYR 61 HE1 TYR 61 150.840 -9.063 -6.100 506 HE2 TYR 61 HE2 TYR 61 149.933 -8.578 -1.960 507 HH TYR 61 HH TYR 61 151.400 -10.224 -2.919 508 H VAL 62 HN VAL 62 147.752 -2.915 -6.174 509 HA VAL 62 HA VAL 62 145.056 -2.282 -6.863 510 HB VAL 62 HB VAL 62 146.650 -0.499 -6.462 511 1HG1 VAL 62 HG11 VAL 62 148.338 -2.047 -8.128 512 2HG1 VAL 62 HG12 VAL 62 148.728 -0.586 -7.223 513 3HG1 VAL 62 HG13 VAL 62 148.138 -0.467 -8.881 514 1HG2 VAL 62 HG21 VAL 62 144.802 -0.575 -8.481 515 2HG2 VAL 62 HG22 VAL 62 146.245 0.006 -9.311 516 3HG2 VAL 62 HG23 VAL 62 145.627 0.874 -7.905 517 H TYR 63 HN TYR 63 144.143 -3.813 -8.175 518 HA TYR 63 HA TYR 63 145.506 -4.747 -10.544 519 1HB TYR 63 HB2 TYR 63 143.899 -6.155 -9.205 520 2HB TYR 63 HB1 TYR 63 142.598 -5.138 -9.808 521 HD1 TYR 63 HD1 TYR 63 141.851 -5.303 -12.104 522 HD2 TYR 63 HD2 TYR 63 145.067 -7.702 -10.689 523 HE1 TYR 63 HE1 TYR 63 141.671 -6.715 -14.109 524 HE2 TYR 63 HE2 TYR 63 144.896 -9.121 -12.690 525 HH TYR 63 HH TYR 63 144.031 -8.850 -15.072 526 H ALA 64 HN ALA 64 145.853 -2.576 -11.410 527 HA ALA 64 HA ALA 64 143.570 -1.083 -12.327 528 1HB ALA 64 HB1 ALA 64 145.009 0.602 -12.472 529 2HB ALA 64 HB2 ALA 64 146.069 -0.306 -13.550 530 3HB ALA 64 HB3 ALA 64 146.225 -0.483 -11.802 531 H SER 65 HN SER 65 143.837 -0.243 -14.734 532 HA SER 65 HA SER 65 143.073 -2.336 -16.411 533 1HB SER 65 HB2 SER 65 142.480 -0.002 -16.862 534 2HB SER 65 HB1 SER 65 144.173 0.380 -17.176 535 HG SER 65 HG SER 65 142.916 -0.022 -19.089 536 H ASP 66 HN ASP 66 146.216 -0.813 -15.938 537 HA ASP 66 HA ASP 66 147.610 -1.934 -18.036 538 1HB ASP 66 HB2 ASP 66 148.293 -0.243 -16.090 539 2HB ASP 66 HB1 ASP 66 149.016 -1.710 -15.439 540 H LYS 67 HN LYS 67 147.396 -3.120 -14.754 541 HA LYS 67 HA LYS 67 147.031 -5.811 -15.384 542 1HB LYS 67 HB2 LYS 67 149.831 -4.891 -15.376 543 2HB LYS 67 HB1 LYS 67 149.526 -6.328 -14.411 544 1HG LYS 67 HG2 LYS 67 148.217 -6.563 -16.950 545 2HG LYS 67 HG1 LYS 67 149.920 -6.164 -17.178 546 1HD LYS 67 HD2 LYS 67 150.634 -8.074 -16.000 547 2HD LYS 67 HD1 LYS 67 149.033 -8.347 -15.311 548 1HE LYS 67 HE2 LYS 67 148.873 -8.350 -18.175 549 2HE LYS 67 HE1 LYS 67 150.129 -9.470 -17.648 550 1HZ LYS 67 HZ1 LYS 67 148.223 -10.132 -15.957 551 2HZ LYS 67 HZ2 LYS 67 148.347 -10.831 -17.492 552 3HZ LYS 67 HZ3 LYS 67 147.246 -9.577 -17.221 553 H LEU 68 HN LEU 68 148.111 -7.188 -13.367 554 HA LEU 68 HA LEU 68 146.693 -6.199 -11.085 555 1HB LEU 68 HB2 LEU 68 147.516 -8.273 -9.994 556 2HB LEU 68 HB1 LEU 68 146.664 -8.556 -11.499 557 HG LEU 68 HG LEU 68 149.591 -8.308 -11.754 558 1HD1 LEU 68 HD11 LEU 68 148.298 -10.444 -10.106 559 2HD1 LEU 68 HD12 LEU 68 149.790 -9.547 -9.807 560 3HD1 LEU 68 HD13 LEU 68 149.742 -10.791 -11.058 561 1HD2 LEU 68 HD21 LEU 68 147.572 -9.110 -13.367 562 2HD2 LEU 68 HD22 LEU 68 148.130 -10.662 -12.741 563 3HD2 LEU 68 HD23 LEU 68 149.257 -9.589 -13.572 564 H PHE 69 HN PHE 69 148.000 -4.190 -10.940 565 HA PHE 69 HA PHE 69 150.720 -4.333 -10.091 566 1HB PHE 69 HB2 PHE 69 148.690 -2.199 -10.439 567 2HB PHE 69 HB1 PHE 69 150.000 -1.864 -9.311 568 HD1 PHE 69 HD1 PHE 69 149.904 -3.667 -12.574 569 HD2 PHE 69 HD2 PHE 69 151.487 -0.429 -10.311 570 HE1 PHE 69 HE1 PHE 69 151.368 -3.071 -14.458 571 HE2 PHE 69 HE2 PHE 69 152.955 0.173 -12.191 572 HZ PHE 69 HZ PHE 69 152.896 -1.148 -14.270 573 H ARG 70 HN ARG 70 151.363 -3.210 -7.979 574 HA ARG 70 HA ARG 70 149.580 -3.598 -5.783 575 1HB ARG 70 HB2 ARG 70 150.457 -5.853 -6.037 576 2HB ARG 70 HB1 ARG 70 152.103 -5.234 -6.039 577 1HG ARG 70 HG2 ARG 70 151.220 -4.272 -3.674 578 2HG ARG 70 HG1 ARG 70 150.280 -5.761 -3.798 579 1HD ARG 70 HD2 ARG 70 152.225 -7.091 -3.956 580 2HD ARG 70 HD1 ARG 70 153.251 -5.688 -4.245 581 HE ARG 70 HE ARG 70 151.911 -5.633 -1.704 582 1HH1 ARG 70 HH11 ARG 70 154.723 -6.769 -3.431 583 2HH1 ARG 70 HH12 ARG 70 155.701 -6.894 -2.008 584 1HH2 ARG 70 HH21 ARG 70 153.195 -5.798 0.169 585 2HH2 ARG 70 HH22 ARG 70 154.834 -6.344 0.037 586 H ALA 71 HN ALA 71 150.000 -2.209 -4.145 587 HA ALA 71 HA ALA 71 152.541 -0.743 -4.300 588 1HB ALA 71 HB1 ALA 71 150.034 0.447 -3.179 589 2HB ALA 71 HB2 ALA 71 150.380 0.492 -4.907 590 3HB ALA 71 HB3 ALA 71 151.480 1.267 -3.768 591 H ASP 72 HN ASP 72 153.434 0.094 -2.280 592 HA ASP 72 HA ASP 72 152.351 -1.294 0.089 593 1HB ASP 72 HB2 ASP 72 154.365 -2.485 -1.046 594 2HB ASP 72 HB1 ASP 72 155.324 -1.181 -0.352 595 H ILE 73 HN ILE 73 152.451 -0.195 1.957 596 HA ILE 73 HA ILE 73 153.972 2.317 2.067 597 HB ILE 73 HB ILE 73 151.139 2.092 3.080 598 1HG1 ILE 73 HG12 ILE 73 151.916 3.605 0.600 599 2HG1 ILE 73 HG11 ILE 73 151.468 1.905 0.512 600 1HG2 ILE 73 HG21 ILE 73 152.547 4.637 2.427 601 2HG2 ILE 73 HG22 ILE 73 152.902 3.811 3.942 602 3HG2 ILE 73 HG23 ILE 73 151.256 4.331 3.587 603 1HD1 ILE 73 HD11 ILE 73 149.803 4.256 0.798 604 2HD1 ILE 73 HD12 ILE 73 149.441 3.019 2.001 605 3HD1 ILE 73 HD13 ILE 73 149.382 2.623 0.283 606 H SER 74 HN SER 74 154.659 2.919 4.145 607 HA SER 74 HA SER 74 153.848 1.437 6.470 608 1HB SER 74 HB2 SER 74 156.247 0.694 6.951 609 2HB SER 74 HB1 SER 74 155.371 -0.218 5.722 610 HG SER 74 HG SER 74 157.581 1.412 5.480 611 H GLU 75 HN GLU 75 153.971 2.730 8.206 612 HA GLU 75 HA GLU 75 155.886 4.964 8.115 613 1HB GLU 75 HB2 GLU 75 153.125 5.120 9.321 614 2HB GLU 75 HB1 GLU 75 154.266 6.438 9.089 615 1HG GLU 75 HG2 GLU 75 153.904 5.374 6.551 616 2HG GLU 75 HG1 GLU 75 152.299 5.358 7.278 617 H ASP 76 HN ASP 76 156.533 5.798 10.197 618 HA ASP 76 HA ASP 76 155.955 4.267 12.534 619 1HB ASP 76 HB2 ASP 76 158.374 3.794 10.983 620 2HB ASP 76 HB1 ASP 76 158.722 4.229 12.653 621 H TYR 77 HN TYR 77 157.538 5.109 14.382 622 HA TYR 77 HA TYR 77 157.920 8.000 14.031 623 1HB TYR 77 HB2 TYR 77 155.891 6.778 15.585 624 2HB TYR 77 HB1 TYR 77 157.051 7.480 16.709 625 HD1 TYR 77 HD1 TYR 77 157.441 9.895 16.740 626 HD2 TYR 77 HD2 TYR 77 154.545 8.165 14.149 627 HE1 TYR 77 HE1 TYR 77 156.452 12.117 16.371 628 HE2 TYR 77 HE2 TYR 77 153.549 10.383 13.771 629 HH TYR 77 HH TYR 77 155.074 13.245 14.585 630 H LYS 78 HN LYS 78 158.827 5.042 15.656 631 HA LYS 78 HA LYS 78 160.690 6.118 17.478 632 1HB LYS 78 HB2 LYS 78 159.714 3.610 16.967 633 2HB LYS 78 HB1 LYS 78 161.351 3.482 16.337 634 1HG LYS 78 HG2 LYS 78 162.316 3.873 18.417 635 2HG LYS 78 HG1 LYS 78 160.837 4.579 19.074 636 1HD LYS 78 HD2 LYS 78 159.780 2.297 18.793 637 2HD LYS 78 HD1 LYS 78 161.403 1.684 18.472 638 1HE LYS 78 HE2 LYS 78 162.126 2.584 20.663 639 2HE LYS 78 HE1 LYS 78 160.460 3.066 20.981 640 1HZ LYS 78 HZ1 LYS 78 161.183 0.267 20.356 641 2HZ LYS 78 HZ2 LYS 78 159.769 0.850 21.077 642 3HZ LYS 78 HZ3 LYS 78 161.224 0.868 21.939 643 H THR 79 HN THR 79 160.901 5.006 14.167 644 HA THR 79 HA THR 79 163.497 6.358 13.908 645 HB THR 79 HB THR 79 164.066 4.630 12.170 646 HG1 THR 79 HG1 THR 79 161.804 3.933 11.984 647 1HG2 THR 79 HG21 THR 79 164.534 4.485 14.808 648 2HG2 THR 79 HG22 THR 79 165.098 3.289 13.640 649 3HG2 THR 79 HG23 THR 79 163.628 2.992 14.568 650 H ARG 80 HN ARG 80 160.480 6.846 13.329 651 HA ARG 80 HA ARG 80 159.148 7.694 11.681 652 1HB ARG 80 HB2 ARG 80 160.088 9.627 10.534 653 2HB ARG 80 HB1 ARG 80 160.575 9.610 12.222 654 1HG ARG 80 HG2 ARG 80 162.409 8.384 10.238 655 2HG ARG 80 HG1 ARG 80 162.273 10.142 10.277 656 1HD ARG 80 HD2 ARG 80 162.592 8.777 12.881 657 2HD ARG 80 HD1 ARG 80 163.991 8.771 11.809 658 HE ARG 80 HE ARG 80 162.877 11.026 13.208 659 1HH1 ARG 80 HH11 ARG 80 164.840 10.008 10.510 660 2HH1 ARG 80 HH12 ARG 80 165.686 11.515 10.395 661 1HH2 ARG 80 HH21 ARG 80 163.986 13.008 13.059 662 2HH2 ARG 80 HH22 ARG 80 165.201 13.219 11.842 663 H GLY 81 HN GLY 81 159.708 5.244 10.921 664 1HA GLY 81 HA2 GLY 81 160.965 5.121 8.335 665 2HA GLY 81 HA1 GLY 81 160.117 3.815 9.149 666 H ARG 82 HN ARG 82 159.413 6.963 7.636 667 HA ARG 82 HA ARG 82 156.752 6.137 6.919 668 1HB ARG 82 HB2 ARG 82 158.383 8.604 6.663 669 2HB ARG 82 HB1 ARG 82 157.102 8.382 5.479 670 1HG ARG 82 HG2 ARG 82 155.451 8.228 7.228 671 2HG ARG 82 HG1 ARG 82 156.708 8.300 8.464 672 1HD ARG 82 HD2 ARG 82 157.082 10.535 6.781 673 2HD ARG 82 HD1 ARG 82 155.357 10.441 7.131 674 HE ARG 82 HE ARG 82 155.794 10.929 9.339 675 1HH1 ARG 82 HH11 ARG 82 158.794 10.290 7.670 676 2HH1 ARG 82 HH12 ARG 82 159.781 10.880 8.965 677 1HH2 ARG 82 HH21 ARG 82 157.093 11.701 11.040 678 2HH2 ARG 82 HH22 ARG 82 158.817 11.679 10.876 679 H LYS 83 HN LYS 83 156.005 5.568 4.871 680 HA LYS 83 HA LYS 83 157.746 5.637 2.622 681 1HB LYS 83 HB2 LYS 83 157.319 3.131 4.138 682 2HB LYS 83 HB1 LYS 83 157.269 3.014 2.384 683 1HG LYS 83 HG2 LYS 83 159.529 4.574 3.077 684 2HG LYS 83 HG1 LYS 83 159.528 3.136 4.100 685 1HD LYS 83 HD2 LYS 83 158.879 2.131 1.619 686 2HD LYS 83 HD1 LYS 83 160.038 3.404 1.238 687 1HE LYS 83 HE2 LYS 83 161.620 2.432 2.840 688 2HE LYS 83 HE1 LYS 83 160.462 1.151 3.198 689 1HZ LYS 83 HZ1 LYS 83 161.808 1.657 0.601 690 2HZ LYS 83 HZ2 LYS 83 160.581 0.515 0.827 691 3HZ LYS 83 HZ3 LYS 83 162.055 0.340 1.635 692 H LEU 84 HN LEU 84 156.792 4.862 0.675 693 HA LEU 84 HA LEU 84 154.223 3.941 0.254 694 1HB LEU 84 HB2 LEU 84 153.490 6.027 1.363 695 2HB LEU 84 HB1 LEU 84 154.387 6.964 0.184 696 HG LEU 84 HG LEU 84 152.560 5.191 -1.163 697 1HD1 LEU 84 HD11 LEU 84 151.193 7.160 0.647 698 2HD1 LEU 84 HD12 LEU 84 151.379 5.457 1.070 699 3HD1 LEU 84 HD13 LEU 84 150.470 5.914 -0.368 700 1HD2 LEU 84 HD21 LEU 84 151.769 7.323 -2.119 701 2HD2 LEU 84 HD22 LEU 84 153.525 7.159 -2.177 702 3HD2 LEU 84 HD23 LEU 84 152.775 8.191 -0.959 703 H LEU 85 HN LEU 85 155.411 2.901 -1.381 704 HA LEU 85 HA LEU 85 155.973 4.561 -3.722 705 1HB LEU 85 HB2 LEU 85 158.079 2.977 -3.901 706 2HB LEU 85 HB1 LEU 85 158.129 4.486 -3.006 707 HG LEU 85 HG LEU 85 157.289 2.129 -1.441 708 1HD1 LEU 85 HD11 LEU 85 159.495 1.207 -1.216 709 2HD1 LEU 85 HD12 LEU 85 160.167 2.423 -2.302 710 3HD1 LEU 85 HD13 LEU 85 159.058 1.201 -2.924 711 1HD2 LEU 85 HD21 LEU 85 158.031 4.687 -0.890 712 2HD2 LEU 85 HD22 LEU 85 159.539 3.819 -0.597 713 3HD2 LEU 85 HD23 LEU 85 158.073 3.357 0.268 714 H ARG 86 HN ARG 86 156.533 1.178 -2.757 715 HA ARG 86 HA ARG 86 156.447 -0.303 -4.850 716 1HB ARG 86 HB2 ARG 86 155.309 -0.651 -2.252 717 2HB ARG 86 HB1 ARG 86 154.272 -1.439 -3.434 718 1HG ARG 86 HG2 ARG 86 155.658 -3.172 -3.192 719 2HG ARG 86 HG1 ARG 86 156.739 -2.255 -4.244 720 1HD ARG 86 HD2 ARG 86 158.238 -2.098 -2.613 721 2HD ARG 86 HD1 ARG 86 157.050 -1.333 -1.559 722 HE ARG 86 HE ARG 86 156.763 -3.334 -0.477 723 1HH1 ARG 86 HH11 ARG 86 158.493 -3.887 -3.458 724 2HH1 ARG 86 HH12 ARG 86 158.863 -5.536 -3.083 725 1HH2 ARG 86 HH21 ARG 86 157.248 -5.504 0.017 726 2HH2 ARG 86 HH22 ARG 86 158.156 -6.455 -1.112 727 H PHE 87 HN PHE 87 155.395 -0.667 -6.679 728 HA PHE 87 HA PHE 87 152.584 -0.379 -6.999 729 1HB PHE 87 HB2 PHE 87 153.887 2.026 -7.109 730 2HB PHE 87 HB1 PHE 87 153.881 1.552 -8.803 731 HD1 PHE 87 HD1 PHE 87 152.067 2.125 -10.092 732 HD2 PHE 87 HD2 PHE 87 151.581 1.745 -5.883 733 HE1 PHE 87 HE1 PHE 87 149.738 2.897 -10.296 734 HE2 PHE 87 HE2 PHE 87 149.254 2.513 -6.078 735 HZ PHE 87 HZ PHE 87 148.328 3.092 -8.286 736 H ASN 88 HN ASN 88 154.203 -2.496 -7.496 737 HA ASN 88 HA ASN 88 154.421 -2.557 -10.435 738 1HB ASN 88 HB2 ASN 88 156.456 -2.994 -8.725 739 2HB ASN 88 HB1 ASN 88 155.813 -4.630 -8.836 740 1HD2 ASN 88 HD21 ASN 88 158.344 -3.964 -9.721 741 2HD2 ASN 88 HD22 ASN 88 158.399 -4.120 -11.441 742 H GLY 89 HN GLY 89 153.892 -4.588 -11.485 743 1HA GLY 89 HA2 GLY 89 152.133 -6.346 -9.915 744 2HA GLY 89 HA1 GLY 89 151.515 -5.604 -11.383 745 HA PRO 90 HA PRO 90 155.053 -8.930 -12.389 746 1HB PRO 90 HB2 PRO 90 154.050 -10.887 -10.391 747 2HB PRO 90 HB1 PRO 90 155.707 -10.549 -10.903 748 1HG PRO 90 HG2 PRO 90 154.816 -9.718 -8.533 749 2HG PRO 90 HG1 PRO 90 155.907 -8.712 -9.505 750 1HD PRO 90 HD2 PRO 90 152.955 -8.464 -9.095 751 2HD PRO 90 HD1 PRO 90 154.188 -7.192 -9.225 752 H VAL 91 HN VAL 91 154.650 -10.692 -13.783 753 HA VAL 91 HA VAL 91 151.977 -11.825 -13.879 754 HB VAL 91 HB VAL 91 151.756 -9.765 -15.204 755 1HG1 VAL 91 HG11 VAL 91 154.310 -10.608 -16.242 756 2HG1 VAL 91 HG12 VAL 91 153.501 -9.046 -16.376 757 3HG1 VAL 91 HG13 VAL 91 153.160 -10.319 -17.549 758 1HG2 VAL 91 HG21 VAL 91 151.389 -11.210 -17.495 759 2HG2 VAL 91 HG22 VAL 91 150.245 -11.116 -16.159 760 3HG2 VAL 91 HG23 VAL 91 151.373 -12.466 -16.259 Start of MODEL 14 1 1H GLY 1 HT1 GLY 1 155.004 -5.698 15.906 2 2H GLY 1 HT2 GLY 1 155.089 -4.027 16.144 3 3H GLY 1 HT3 GLY 1 155.667 -4.705 14.707 4 1HA GLY 1 HA1 GLY 1 152.894 -4.262 15.575 5 2HA GLY 1 HA2 GLY 1 153.643 -3.880 14.033 6 H GLU 2 HN GLU 2 152.698 -5.028 12.486 7 HA GLU 2 HA GLU 2 151.951 -6.805 11.272 8 1HB GLU 2 HB2 GLU 2 154.094 -7.809 12.602 9 2HB GLU 2 HB1 GLU 2 152.823 -8.874 13.187 10 1HG GLU 2 HG2 GLU 2 153.339 -10.066 11.362 11 2HG GLU 2 HG1 GLU 2 152.285 -8.908 10.553 12 H TRP 3 HN TRP 3 149.851 -7.236 11.174 13 HA TRP 3 HA TRP 3 148.540 -8.498 13.457 14 1HB TRP 3 HB2 TRP 3 148.049 -5.762 12.520 15 2HB TRP 3 HB1 TRP 3 146.589 -6.740 12.635 16 HD1 TRP 3 HD1 TRP 3 148.066 -4.296 14.619 17 HE1 TRP 3 HE1 TRP 3 147.802 -4.701 17.147 18 HE3 TRP 3 HE3 TRP 3 146.872 -9.266 14.524 19 HZ2 TRP 3 HZ2 TRP 3 147.174 -6.845 18.873 20 HZ3 TRP 3 HZ3 TRP 3 146.457 -10.419 16.657 21 HH2 TRP 3 HH2 TRP 3 146.604 -9.233 18.786 22 H GLU 4 HN GLU 4 146.918 -7.003 10.702 23 HA GLU 4 HA GLU 4 146.861 -8.890 8.781 24 1HB GLU 4 HB2 GLU 4 145.506 -9.902 11.162 25 2HB GLU 4 HB1 GLU 4 144.472 -9.925 9.740 26 1HG GLU 4 HG2 GLU 4 145.857 -11.395 8.600 27 2HG GLU 4 HG1 GLU 4 147.244 -11.036 9.627 28 H ILE 5 HN ILE 5 144.893 -8.835 7.396 29 HA ILE 5 HA ILE 5 143.987 -6.231 7.040 30 HB ILE 5 HB ILE 5 144.078 -7.934 5.246 31 1HG1 ILE 5 HG12 ILE 5 142.017 -7.245 4.106 32 2HG1 ILE 5 HG11 ILE 5 141.342 -6.698 5.636 33 1HG2 ILE 5 HG21 ILE 5 142.156 -9.498 5.028 34 2HG2 ILE 5 HG22 ILE 5 141.673 -9.060 6.667 35 3HG2 ILE 5 HG23 ILE 5 143.221 -9.857 6.387 36 1HD1 ILE 5 HD11 ILE 5 142.148 -4.825 4.345 37 2HD1 ILE 5 HD12 ILE 5 143.749 -5.555 4.240 38 3HD1 ILE 5 HD13 ILE 5 143.126 -5.019 5.799 39 H ILE 6 HN ILE 6 141.769 -5.423 7.120 40 HA ILE 6 HA ILE 6 140.240 -6.602 9.349 41 HB ILE 6 HB ILE 6 139.341 -4.245 9.661 42 1HG1 ILE 6 HG12 ILE 6 141.791 -3.582 8.012 43 2HG1 ILE 6 HG11 ILE 6 140.123 -3.344 7.503 44 1HG2 ILE 6 HG21 ILE 6 141.988 -5.306 10.388 45 2HG2 ILE 6 HG22 ILE 6 140.671 -4.732 11.411 46 3HG2 ILE 6 HG23 ILE 6 141.761 -3.577 10.645 47 1HD1 ILE 6 HD11 ILE 6 140.247 -2.003 9.899 48 2HD1 ILE 6 HD12 ILE 6 140.339 -1.283 8.292 49 3HD1 ILE 6 HD13 ILE 6 141.818 -1.684 9.164 50 H GLU 7 HN GLU 7 140.039 -4.907 6.254 51 HA GLU 7 HA GLU 7 137.413 -6.123 5.824 52 1HB GLU 7 HB2 GLU 7 138.041 -3.198 5.798 53 2HB GLU 7 HB1 GLU 7 136.834 -3.823 4.682 54 1HG GLU 7 HG2 GLU 7 136.064 -4.955 7.041 55 2HG GLU 7 HG1 GLU 7 136.688 -3.392 7.565 56 H ILE 8 HN ILE 8 136.736 -5.355 3.407 57 HA ILE 8 HA ILE 8 139.068 -5.468 1.653 58 HB ILE 8 HB ILE 8 138.421 -7.820 2.078 59 1HG1 ILE 8 HG12 ILE 8 137.650 -7.271 -0.757 60 2HG1 ILE 8 HG11 ILE 8 139.247 -6.777 -0.205 61 1HG2 ILE 8 HG21 ILE 8 135.868 -6.956 2.090 62 2HG2 ILE 8 HG22 ILE 8 136.336 -8.638 1.843 63 3HG2 ILE 8 HG23 ILE 8 135.974 -7.612 0.456 64 1HD1 ILE 8 HD11 ILE 8 138.125 -9.494 -0.585 65 2HD1 ILE 8 HD12 ILE 8 139.327 -9.254 0.682 66 3HD1 ILE 8 HD13 ILE 8 139.718 -8.857 -0.990 67 H GLY 9 HN GLY 9 136.723 -3.629 2.352 68 1HA GLY 9 HA2 GLY 9 135.571 -3.384 -0.352 69 2HA GLY 9 HA1 GLY 9 134.843 -2.742 1.112 70 HA PRO 10 HA PRO 10 136.529 1.194 -0.028 71 1HB PRO 10 HB2 PRO 10 136.659 2.331 2.468 72 2HB PRO 10 HB1 PRO 10 135.178 2.216 1.511 73 1HG PRO 10 HG2 PRO 10 136.131 0.472 3.746 74 2HG PRO 10 HG1 PRO 10 134.498 1.079 3.415 75 1HD PRO 10 HD2 PRO 10 135.222 -1.440 2.814 76 2HD PRO 10 HD1 PRO 10 134.096 -0.523 1.793 77 H PHE 11 HN PHE 11 137.938 -0.684 2.588 78 HA PHE 11 HA PHE 11 140.296 0.661 3.036 79 1HB PHE 11 HB2 PHE 11 139.657 -1.223 4.406 80 2HB PHE 11 HB1 PHE 11 139.748 -2.313 3.028 81 HD1 PHE 11 HD1 PHE 11 142.078 -2.522 1.895 82 HD2 PHE 11 HD2 PHE 11 141.460 -1.020 5.828 83 HE1 PHE 11 HE1 PHE 11 144.422 -3.024 2.452 84 HE2 PHE 11 HE2 PHE 11 143.802 -1.519 6.390 85 HZ PHE 11 HZ PHE 11 145.286 -2.520 4.699 86 H THR 12 HN THR 12 139.763 -1.992 0.724 87 HA THR 12 HA THR 12 142.294 -1.968 -0.439 88 HB THR 12 HB THR 12 140.464 -2.690 -2.451 89 HG1 THR 12 HG1 THR 12 139.094 -4.102 -1.250 90 1HG2 THR 12 HG21 THR 12 142.177 -4.151 -0.528 91 2HG2 THR 12 HG22 THR 12 142.219 -4.134 -2.288 92 3HG2 THR 12 HG23 THR 12 140.976 -5.058 -1.444 93 H GLN 13 HN GLN 13 139.301 -0.534 -1.755 94 HA GLN 13 HA GLN 13 140.430 0.776 -3.920 95 1HB GLN 13 HB2 GLN 13 138.000 0.544 -3.543 96 2HB GLN 13 HB1 GLN 13 138.100 1.717 -2.237 97 1HG GLN 13 HG2 GLN 13 138.403 3.487 -3.662 98 2HG GLN 13 HG1 GLN 13 139.076 2.480 -4.943 99 1HE2 GLN 13 HE21 GLN 13 136.058 2.440 -3.074 100 2HE2 GLN 13 HE22 GLN 13 135.009 2.397 -4.446 101 H ASN 14 HN ASN 14 140.460 1.620 -0.551 102 HA ASN 14 HA ASN 14 141.024 4.323 -0.654 103 1HB ASN 14 HB2 ASN 14 140.938 2.344 1.317 104 2HB ASN 14 HB1 ASN 14 142.579 2.977 1.399 105 1HD2 ASN 14 HD21 ASN 14 142.276 5.590 0.826 106 2HD2 ASN 14 HD22 ASN 14 141.288 6.363 2.013 107 H LEU 15 HN LEU 15 143.479 1.766 -0.194 108 HA LEU 15 HA LEU 15 145.688 3.371 -0.615 109 1HB LEU 15 HB2 LEU 15 145.339 0.726 -0.117 110 2HB LEU 15 HB1 LEU 15 145.875 0.669 -1.786 111 HG LEU 15 HG LEU 15 147.669 0.432 -0.005 112 1HD1 LEU 15 HD11 LEU 15 148.373 2.757 -1.692 113 2HD1 LEU 15 HD12 LEU 15 147.794 1.307 -2.512 114 3HD1 LEU 15 HD13 LEU 15 149.209 1.221 -1.464 115 1HD2 LEU 15 HD21 LEU 15 148.225 2.123 1.383 116 2HD2 LEU 15 HD22 LEU 15 146.538 2.582 1.149 117 3HD2 LEU 15 HD23 LEU 15 147.806 3.369 0.207 118 H GLY 16 HN GLY 16 143.394 2.116 -2.890 119 1HA GLY 16 HA2 GLY 16 144.859 2.354 -5.271 120 2HA GLY 16 HA1 GLY 16 143.111 2.508 -5.135 121 H LYS 17 HN LYS 17 143.001 4.740 -3.406 122 HA LYS 17 HA LYS 17 143.252 6.853 -5.273 123 1HB LYS 17 HB2 LYS 17 141.898 6.537 -2.942 124 2HB LYS 17 HB1 LYS 17 143.221 7.560 -2.399 125 1HG LYS 17 HG2 LYS 17 141.881 9.235 -3.029 126 2HG LYS 17 HG1 LYS 17 142.466 8.859 -4.651 127 1HD LYS 17 HD2 LYS 17 140.525 7.730 -5.228 128 2HD LYS 17 HD1 LYS 17 140.089 7.417 -3.547 129 1HE LYS 17 HE2 LYS 17 139.289 9.575 -3.223 130 2HE LYS 17 HE1 LYS 17 140.189 10.219 -4.596 131 1HZ LYS 17 HZ1 LYS 17 138.646 8.584 -5.905 132 2HZ LYS 17 HZ2 LYS 17 138.098 10.121 -5.465 133 3HZ LYS 17 HZ3 LYS 17 137.642 8.768 -4.556 134 H PHE 18 HN PHE 18 145.106 6.066 -2.345 135 HA PHE 18 HA PHE 18 147.058 8.081 -2.730 136 1HB PHE 18 HB2 PHE 18 146.422 6.244 -0.720 137 2HB PHE 18 HB1 PHE 18 148.046 5.800 -1.237 138 HD1 PHE 18 HD1 PHE 18 146.670 7.280 1.324 139 HD2 PHE 18 HD2 PHE 18 149.223 8.391 -1.894 140 HE1 PHE 18 HE1 PHE 18 147.596 9.102 2.694 141 HE2 PHE 18 HE2 PHE 18 150.155 10.216 -0.529 142 HZ PHE 18 HZ PHE 18 149.340 10.573 1.768 143 H ALA 19 HN ALA 19 146.522 5.095 -4.215 144 HA ALA 19 HA ALA 19 149.135 4.261 -4.816 145 1HB ALA 19 HB1 ALA 19 146.590 3.324 -5.338 146 2HB ALA 19 HB2 ALA 19 148.099 2.596 -5.887 147 3HB ALA 19 HB3 ALA 19 147.225 3.709 -6.938 148 H VAL 20 HN VAL 20 146.822 6.051 -6.858 149 HA VAL 20 HA VAL 20 148.699 6.664 -8.879 150 HB VAL 20 HB VAL 20 146.220 8.249 -8.191 151 1HG1 VAL 20 HG11 VAL 20 148.159 8.860 -9.986 152 2HG1 VAL 20 HG12 VAL 20 146.470 9.345 -10.136 153 3HG1 VAL 20 HG13 VAL 20 147.056 7.913 -10.985 154 1HG2 VAL 20 HG21 VAL 20 144.894 6.682 -9.102 155 2HG2 VAL 20 HG22 VAL 20 146.223 5.586 -8.727 156 3HG2 VAL 20 HG23 VAL 20 146.071 6.265 -10.348 157 H ASP 21 HN ASP 21 147.881 8.174 -5.845 158 HA ASP 21 HA ASP 21 149.264 10.634 -6.428 159 1HB ASP 21 HB2 ASP 21 147.288 10.095 -4.723 160 2HB ASP 21 HB1 ASP 21 148.642 9.843 -3.624 161 H GLU 22 HN GLU 22 150.144 7.525 -5.224 162 HA GLU 22 HA GLU 22 152.667 8.593 -4.164 163 1HB GLU 22 HB2 GLU 22 152.921 6.579 -2.926 164 2HB GLU 22 HB1 GLU 22 151.257 7.101 -2.708 165 1HG GLU 22 HG2 GLU 22 150.689 5.491 -4.605 166 2HG GLU 22 HG1 GLU 22 152.304 4.830 -4.358 167 H GLU 23 HN GLU 23 151.325 6.757 -6.754 168 HA GLU 23 HA GLU 23 153.419 5.147 -7.554 169 1HB GLU 23 HB2 GLU 23 150.989 5.756 -8.587 170 2HB GLU 23 HB1 GLU 23 152.034 6.584 -9.733 171 1HG GLU 23 HG2 GLU 23 153.190 4.532 -10.229 172 2HG GLU 23 HG1 GLU 23 152.273 3.679 -8.989 173 H ASN 24 HN ASN 24 153.162 8.601 -7.686 174 HA ASN 24 HA ASN 24 155.285 8.948 -9.598 175 1HB ASN 24 HB2 ASN 24 153.689 10.818 -7.868 176 2HB ASN 24 HB1 ASN 24 155.096 11.387 -8.761 177 1HD2 ASN 24 HD21 ASN 24 152.221 9.379 -9.323 178 2HD2 ASN 24 HD22 ASN 24 151.826 10.077 -10.855 179 H LYS 25 HN LYS 25 155.363 7.906 -6.483 180 HA LYS 25 HA LYS 25 157.758 9.412 -5.745 181 1HB LYS 25 HB2 LYS 25 155.817 8.932 -4.130 182 2HB LYS 25 HB1 LYS 25 156.434 7.288 -4.071 183 1HG LYS 25 HG2 LYS 25 158.671 8.861 -3.629 184 2HG LYS 25 HG1 LYS 25 157.382 9.672 -2.738 185 1HD LYS 25 HD2 LYS 25 157.002 7.838 -1.367 186 2HD LYS 25 HD1 LYS 25 157.733 6.708 -2.509 187 1HE LYS 25 HE2 LYS 25 159.560 6.814 -1.233 188 2HE LYS 25 HE1 LYS 25 159.800 8.431 -1.895 189 1HZ LYS 25 HZ1 LYS 25 159.105 9.412 0.006 190 2HZ LYS 25 HZ2 LYS 25 159.645 7.964 0.693 191 3HZ LYS 25 HZ3 LYS 25 157.998 8.191 0.386 192 H ILE 26 HN ILE 26 156.971 5.977 -5.209 193 HA ILE 26 HA ILE 26 159.532 5.007 -5.237 194 HB ILE 26 HB ILE 26 157.435 3.749 -4.660 195 1HG1 ILE 26 HG12 ILE 26 158.355 1.578 -5.216 196 2HG1 ILE 26 HG11 ILE 26 159.314 2.281 -6.513 197 1HG2 ILE 26 HG21 ILE 26 156.168 4.224 -6.683 198 2HG2 ILE 26 HG22 ILE 26 156.302 2.489 -6.398 199 3HG2 ILE 26 HG23 ILE 26 157.306 3.259 -7.622 200 1HD1 ILE 26 HD11 ILE 26 160.915 2.995 -5.111 201 2HD1 ILE 26 HD12 ILE 26 160.256 1.745 -4.055 202 3HD1 ILE 26 HD13 ILE 26 159.766 3.427 -3.846 203 H GLY 27 HN GLY 27 157.379 5.440 -8.024 204 1HA GLY 27 HA2 GLY 27 159.573 4.657 -9.812 205 2HA GLY 27 HA1 GLY 27 157.881 4.795 -10.265 206 H GLN 28 HN GLN 28 159.242 5.938 -12.050 207 HA GLN 28 HA GLN 28 160.138 8.592 -11.477 208 1HB GLN 28 HB2 GLN 28 160.771 6.959 -13.436 209 2HB GLN 28 HB1 GLN 28 159.391 7.699 -14.233 210 1HG GLN 28 HG2 GLN 28 160.415 9.904 -13.941 211 2HG GLN 28 HG1 GLN 28 161.807 9.145 -13.168 212 1HE2 GLN 28 HE21 GLN 28 159.871 8.677 -16.111 213 2HE2 GLN 28 HE22 GLN 28 161.220 8.511 -17.177 214 H TYR 29 HN TYR 29 157.310 7.261 -13.180 215 HA TYR 29 HA TYR 29 155.771 9.606 -12.377 216 1HB TYR 29 HB2 TYR 29 156.799 9.300 -14.999 217 2HB TYR 29 HB1 TYR 29 155.069 8.992 -15.092 218 HD1 TYR 29 HD1 TYR 29 157.549 11.483 -15.143 219 HD2 TYR 29 HD2 TYR 29 153.564 10.761 -13.838 220 HE1 TYR 29 HE1 TYR 29 157.126 13.904 -15.116 221 HE2 TYR 29 HE2 TYR 29 153.130 13.181 -13.809 222 HH TYR 29 HH TYR 29 155.071 15.396 -13.576 223 H GLY 30 HN GLY 30 153.552 9.247 -12.222 224 1HA GLY 30 HA2 GLY 30 152.818 6.416 -12.143 225 2HA GLY 30 HA1 GLY 30 151.941 7.735 -11.384 226 H ARG 31 HN ARG 31 150.521 5.881 -12.734 227 HA ARG 31 HA ARG 31 149.537 7.428 -15.016 228 1HB ARG 31 HB2 ARG 31 150.720 4.750 -15.117 229 2HB ARG 31 HB1 ARG 31 149.125 4.834 -15.853 230 1HG ARG 31 HG2 ARG 31 150.958 7.000 -16.610 231 2HG ARG 31 HG1 ARG 31 151.433 5.385 -17.139 232 1HD ARG 31 HD2 ARG 31 149.545 5.115 -18.446 233 2HD ARG 31 HD1 ARG 31 148.623 6.316 -17.541 234 HE ARG 31 HE ARG 31 150.324 6.785 -19.796 235 1HH1 ARG 31 HH11 ARG 31 149.010 8.216 -16.897 236 2HH1 ARG 31 HH12 ARG 31 149.160 9.839 -17.481 237 1HH2 ARG 31 HH21 ARG 31 150.521 8.919 -20.567 238 2HH2 ARG 31 HH22 ARG 31 150.016 10.239 -19.563 239 H LEU 32 HN LEU 32 147.404 6.214 -15.819 240 HA LEU 32 HA LEU 32 145.585 6.391 -13.642 241 1HB LEU 32 HB2 LEU 32 145.447 6.387 -16.468 242 2HB LEU 32 HB1 LEU 32 144.405 5.091 -15.911 243 HG LEU 32 HG LEU 32 143.519 6.982 -14.273 244 1HD1 LEU 32 HD11 LEU 32 143.423 9.047 -15.972 245 2HD1 LEU 32 HD12 LEU 32 145.022 8.420 -16.371 246 3HD1 LEU 32 HD13 LEU 32 144.647 8.890 -14.713 247 1HD2 LEU 32 HD21 LEU 32 142.642 7.072 -17.141 248 2HD2 LEU 32 HD22 LEU 32 141.668 7.211 -15.677 249 3HD2 LEU 32 HD23 LEU 32 142.356 5.653 -16.133 250 H THR 33 HN THR 33 146.057 4.823 -12.122 251 HA THR 33 HA THR 33 145.675 2.032 -12.984 252 HB THR 33 HB THR 33 147.920 2.621 -12.012 253 HG1 THR 33 HG1 THR 33 146.253 0.710 -10.780 254 1HG2 THR 33 HG21 THR 33 148.110 3.746 -10.126 255 2HG2 THR 33 HG22 THR 33 147.279 2.447 -9.271 256 3HG2 THR 33 HG23 THR 33 146.357 3.787 -9.954 257 H PHE 34 HN PHE 34 143.516 3.829 -12.405 258 HA PHE 34 HA PHE 34 142.525 2.815 -9.832 259 1HB PHE 34 HB2 PHE 34 142.525 5.374 -10.819 260 2HB PHE 34 HB1 PHE 34 140.897 4.833 -11.212 261 HD1 PHE 34 HD1 PHE 34 140.028 3.240 -9.046 262 HD2 PHE 34 HD2 PHE 34 142.518 6.690 -8.948 263 HE1 PHE 34 HE1 PHE 34 139.321 3.678 -6.729 264 HE2 PHE 34 HE2 PHE 34 141.817 7.134 -6.631 265 HZ PHE 34 HZ PHE 34 140.217 5.628 -5.519 266 H ASN 35 HN ASN 35 142.581 1.265 -12.365 267 HA ASN 35 HA ASN 35 139.921 1.135 -13.379 268 1HB ASN 35 HB2 ASN 35 142.033 0.357 -14.559 269 2HB ASN 35 HB1 ASN 35 141.984 -1.063 -13.518 270 1HD2 ASN 35 HD21 ASN 35 139.534 0.779 -15.307 271 2HD2 ASN 35 HD22 ASN 35 138.883 -0.582 -16.150 272 H LYS 36 HN LYS 36 141.757 -1.252 -11.451 273 HA LYS 36 HA LYS 36 139.335 -1.807 -9.915 274 1HB LYS 36 HB2 LYS 36 140.631 -3.654 -11.819 275 2HB LYS 36 HB1 LYS 36 140.246 -4.344 -10.250 276 1HG LYS 36 HG2 LYS 36 137.959 -4.011 -10.527 277 2HG LYS 36 HG1 LYS 36 138.194 -2.821 -11.808 278 1HD LYS 36 HD2 LYS 36 139.279 -4.799 -13.096 279 2HD LYS 36 HD1 LYS 36 138.415 -5.804 -11.929 280 1HE LYS 36 HE2 LYS 36 136.520 -3.966 -12.772 281 2HE LYS 36 HE1 LYS 36 137.417 -4.356 -14.238 282 1HZ LYS 36 HZ1 LYS 36 136.835 -6.578 -14.099 283 2HZ LYS 36 HZ2 LYS 36 135.418 -5.801 -13.603 284 3HZ LYS 36 HZ3 LYS 36 136.448 -6.495 -12.453 285 H VAL 37 HN VAL 37 140.923 -0.483 -8.544 286 HA VAL 37 HA VAL 37 143.196 -1.875 -7.474 287 HB VAL 37 HB VAL 37 141.819 0.542 -6.301 288 1HG1 VAL 37 HG11 VAL 37 144.646 0.545 -5.997 289 2HG1 VAL 37 HG12 VAL 37 144.036 -1.023 -5.473 290 3HG1 VAL 37 HG13 VAL 37 143.403 0.456 -4.752 291 1HG2 VAL 37 HG21 VAL 37 143.842 1.660 -7.583 292 2HG2 VAL 37 HG22 VAL 37 142.291 1.381 -8.374 293 3HG2 VAL 37 HG23 VAL 37 143.630 0.267 -8.643 294 H ILE 38 HN ILE 38 142.676 -3.746 -6.439 295 HA ILE 38 HA ILE 38 141.448 -3.532 -3.864 296 HB ILE 38 HB ILE 38 139.762 -5.421 -4.429 297 1HG1 ILE 38 HG12 ILE 38 139.717 -4.106 -7.128 298 2HG1 ILE 38 HG11 ILE 38 140.770 -5.487 -6.841 299 1HG2 ILE 38 HG21 ILE 38 138.153 -3.868 -4.257 300 2HG2 ILE 38 HG22 ILE 38 138.749 -2.946 -5.639 301 3HG2 ILE 38 HG23 ILE 38 139.503 -2.753 -4.059 302 1HD1 ILE 38 HD11 ILE 38 138.141 -6.057 -5.870 303 2HD1 ILE 38 HD12 ILE 38 139.080 -6.882 -7.115 304 3HD1 ILE 38 HD13 ILE 38 138.065 -5.506 -7.543 305 H LYS 39 HN LYS 39 140.949 -6.630 -5.202 306 HA LYS 39 HA LYS 39 141.981 -8.623 -4.945 307 1HB LYS 39 HB2 LYS 39 144.251 -6.758 -5.439 308 2HB LYS 39 HB1 LYS 39 144.609 -8.417 -4.974 309 1HG LYS 39 HG2 LYS 39 142.874 -7.639 -7.310 310 2HG LYS 39 HG1 LYS 39 144.596 -8.012 -7.424 311 1HD LYS 39 HD2 LYS 39 144.261 -10.258 -6.843 312 2HD LYS 39 HD1 LYS 39 142.646 -9.944 -6.206 313 1HE LYS 39 HE2 LYS 39 141.925 -9.363 -8.523 314 2HE LYS 39 HE1 LYS 39 143.509 -9.885 -9.092 315 1HZ LYS 39 HZ1 LYS 39 142.969 -12.035 -8.873 316 2HZ LYS 39 HZ2 LYS 39 141.370 -11.483 -8.910 317 3HZ LYS 39 HZ3 LYS 39 142.120 -11.801 -7.427 318 HA PRO 40 HA PRO 40 142.773 -9.669 -0.768 319 1HB PRO 40 HB2 PRO 40 145.318 -10.972 -1.614 320 2HB PRO 40 HB1 PRO 40 143.979 -11.626 -0.664 321 1HG PRO 40 HG2 PRO 40 144.284 -12.317 -3.212 322 2HG PRO 40 HG1 PRO 40 142.670 -12.027 -2.538 323 1HD PRO 40 HD2 PRO 40 144.321 -10.297 -4.325 324 2HD PRO 40 HD1 PRO 40 142.561 -10.534 -4.292 325 H CYS 41 HN CYS 41 143.208 -7.455 -0.199 326 HA CYS 41 HA CYS 41 145.921 -6.490 -0.161 327 1HB CYS 41 HB2 CYS 41 145.012 -4.501 0.837 328 2HB CYS 41 HB1 CYS 41 143.919 -5.019 -0.440 329 HG CYS 41 HG CYS 41 142.422 -4.443 1.539 330 H MET 42 HN MET 42 146.090 -5.223 2.305 331 HA MET 42 HA MET 42 145.602 -6.902 4.515 332 1HB MET 42 HB2 MET 42 147.585 -7.959 2.998 333 2HB MET 42 HB1 MET 42 148.522 -6.920 4.065 334 1HG MET 42 HG2 MET 42 148.520 -8.813 5.306 335 2HG MET 42 HG1 MET 42 147.034 -8.083 5.911 336 1HE MET 42 HE1 MET 42 148.706 -11.026 4.223 337 2HE MET 42 HE2 MET 42 147.419 -12.207 4.468 338 3HE MET 42 HE3 MET 42 148.067 -11.311 5.842 339 H LYS 43 HN LYS 43 146.450 -6.072 6.493 340 HA LYS 43 HA LYS 43 147.867 -3.515 6.374 341 1HB LYS 43 HB2 LYS 43 145.215 -3.359 6.449 342 2HB LYS 43 HB1 LYS 43 145.480 -3.652 8.161 343 1HG LYS 43 HG2 LYS 43 147.311 -1.654 7.361 344 2HG LYS 43 HG1 LYS 43 145.730 -1.222 6.705 345 1HD LYS 43 HD2 LYS 43 144.838 -0.854 8.752 346 2HD LYS 43 HD1 LYS 43 145.748 -2.168 9.499 347 1HE LYS 43 HE2 LYS 43 147.592 -0.159 8.707 348 2HE LYS 43 HE1 LYS 43 146.272 0.626 9.571 349 1HZ LYS 43 HZ1 LYS 43 147.229 -1.795 10.817 350 2HZ LYS 43 HZ2 LYS 43 146.897 -0.284 11.499 351 3HZ LYS 43 HZ3 LYS 43 148.383 -0.560 10.741 352 H LYS 44 HN LYS 44 148.679 -2.842 8.505 353 HA LYS 44 HA LYS 44 148.470 -4.514 10.777 354 1HB LYS 44 HB2 LYS 44 150.819 -5.351 10.792 355 2HB LYS 44 HB1 LYS 44 149.805 -6.085 9.558 356 1HG LYS 44 HG2 LYS 44 151.295 -3.712 8.687 357 2HG LYS 44 HG1 LYS 44 152.286 -5.103 9.128 358 1HD LYS 44 HD2 LYS 44 149.929 -5.637 7.420 359 2HD LYS 44 HD1 LYS 44 151.260 -4.751 6.676 360 1HE LYS 44 HE2 LYS 44 152.151 -7.043 8.238 361 2HE LYS 44 HE1 LYS 44 151.064 -7.489 6.924 362 1HZ LYS 44 HZ1 LYS 44 153.060 -7.506 5.853 363 2HZ LYS 44 HZ2 LYS 44 153.728 -6.275 6.800 364 3HZ LYS 44 HZ3 LYS 44 152.619 -5.895 5.582 365 H THR 45 HN THR 45 148.647 -3.100 12.365 366 HA THR 45 HA THR 45 149.846 -0.577 12.077 367 HB THR 45 HB THR 45 149.430 -1.546 14.821 368 HG1 THR 45 HG1 THR 45 147.390 -1.639 12.878 369 1HG2 THR 45 HG21 THR 45 147.871 0.455 14.824 370 2HG2 THR 45 HG22 THR 45 148.516 0.815 13.222 371 3HG2 THR 45 HG23 THR 45 149.594 0.775 14.618 372 H ILE 46 HN ILE 46 151.535 0.287 13.558 373 HA ILE 46 HA ILE 46 153.564 -1.715 14.275 374 HB ILE 46 HB ILE 46 154.236 0.876 12.884 375 1HG1 ILE 46 HG12 ILE 46 154.989 -1.117 11.167 376 2HG1 ILE 46 HG11 ILE 46 153.484 -1.761 11.817 377 1HG2 ILE 46 HG21 ILE 46 155.820 -0.516 14.509 378 2HG2 ILE 46 HG22 ILE 46 156.425 0.311 13.074 379 3HG2 ILE 46 HG23 ILE 46 156.102 -1.420 13.021 380 1HD1 ILE 46 HD11 ILE 46 152.218 -0.085 10.906 381 2HD1 ILE 46 HD12 ILE 46 153.475 -0.278 9.684 382 3HD1 ILE 46 HD13 ILE 46 153.567 1.048 10.843 383 H TYR 47 HN TYR 47 152.235 -0.991 16.311 384 HA TYR 47 HA TYR 47 153.119 1.525 17.441 385 1HB TYR 47 HB2 TYR 47 151.706 0.957 19.340 386 2HB TYR 47 HB1 TYR 47 150.822 0.698 17.839 387 HD1 TYR 47 HD1 TYR 47 152.198 -0.859 20.817 388 HD2 TYR 47 HD2 TYR 47 150.397 -1.605 17.035 389 HE1 TYR 47 HE1 TYR 47 151.698 -3.162 21.517 390 HE2 TYR 47 HE2 TYR 47 149.893 -3.911 17.726 391 HH TYR 47 HH TYR 47 150.129 -4.961 20.944 392 H GLU 48 HN GLU 48 154.426 1.787 19.233 393 HA GLU 48 HA GLU 48 156.497 -0.164 19.519 394 1HB GLU 48 HB2 GLU 48 157.117 2.153 19.545 395 2HB GLU 48 HB1 GLU 48 156.015 2.480 20.873 396 1HG GLU 48 HG2 GLU 48 157.651 2.106 22.308 397 2HG GLU 48 HG1 GLU 48 157.772 0.444 21.733 398 H ASN 49 HN ASN 49 155.025 1.505 22.193 399 HA ASN 49 HA ASN 49 153.800 -0.769 23.369 400 1HB ASN 49 HB2 ASN 49 156.623 -0.226 24.002 401 2HB ASN 49 HB1 ASN 49 155.584 -0.402 25.414 402 1HD2 ASN 49 HD21 ASN 49 153.817 -2.279 24.699 403 2HD2 ASN 49 HD22 ASN 49 154.611 -3.772 24.352 404 H GLU 50 HN GLU 50 155.548 2.171 24.366 405 HA GLU 50 HA GLU 50 153.249 2.922 26.023 406 1HB GLU 50 HB2 GLU 50 155.660 2.874 26.914 407 2HB GLU 50 HB1 GLU 50 155.913 4.324 25.955 408 1HG GLU 50 HG2 GLU 50 153.880 5.264 27.200 409 2HG GLU 50 HG1 GLU 50 154.130 3.930 28.325 410 H ARG 51 HN ARG 51 153.110 3.108 23.170 411 HA ARG 51 HA ARG 51 152.314 4.533 21.585 412 1HB ARG 51 HB2 ARG 51 151.012 5.441 23.550 413 2HB ARG 51 HB1 ARG 51 152.272 6.654 23.734 414 1HG ARG 51 HG2 ARG 51 151.800 7.498 21.496 415 2HG ARG 51 HG1 ARG 51 150.546 6.272 21.296 416 1HD ARG 51 HD2 ARG 51 149.103 7.313 22.736 417 2HD ARG 51 HD1 ARG 51 150.400 8.058 23.667 418 HE ARG 51 HE ARG 51 149.057 9.159 21.392 419 1HH1 ARG 51 HH11 ARG 51 152.055 9.154 23.180 420 2HH1 ARG 51 HH12 ARG 51 152.521 10.733 22.645 421 1HH2 ARG 51 HH21 ARG 51 149.671 11.236 20.686 422 2HH2 ARG 51 HH22 ARG 51 151.169 11.916 21.231 423 H GLU 52 HN GLU 52 154.956 4.128 21.490 424 HA GLU 52 HA GLU 52 156.286 6.712 21.362 425 1HB GLU 52 HB2 GLU 52 157.147 3.922 21.580 426 2HB GLU 52 HB1 GLU 52 158.131 4.880 20.483 427 1HG GLU 52 HG2 GLU 52 157.536 6.147 23.064 428 2HG GLU 52 HG1 GLU 52 158.538 4.699 23.143 429 H ILE 53 HN ILE 53 154.705 4.529 19.296 430 HA ILE 53 HA ILE 53 155.418 6.173 17.017 431 HB ILE 53 HB ILE 53 157.034 4.592 16.575 432 1HG1 ILE 53 HG12 ILE 53 154.750 3.212 15.185 433 2HG1 ILE 53 HG11 ILE 53 155.243 4.833 14.727 434 1HG2 ILE 53 HG21 ILE 53 155.645 2.989 18.351 435 2HG2 ILE 53 HG22 ILE 53 157.159 2.604 17.538 436 3HG2 ILE 53 HG23 ILE 53 155.627 2.083 16.841 437 1HD1 ILE 53 HD11 ILE 53 157.127 2.497 14.796 438 2HD1 ILE 53 HD12 ILE 53 157.382 4.077 14.057 439 3HD1 ILE 53 HD13 ILE 53 156.205 2.959 13.368 440 H LYS 54 HN LYS 54 153.892 3.054 16.851 441 HA LYS 54 HA LYS 54 151.734 2.394 16.455 442 1HB LYS 54 HB2 LYS 54 151.194 4.265 18.149 443 2HB LYS 54 HB1 LYS 54 150.811 5.245 16.741 444 1HG LYS 54 HG2 LYS 54 148.746 4.436 17.012 445 2HG LYS 54 HG1 LYS 54 149.384 2.997 16.217 446 1HD LYS 54 HD2 LYS 54 148.774 1.862 18.038 447 2HD LYS 54 HD1 LYS 54 150.098 2.671 18.879 448 1HE LYS 54 HE2 LYS 54 147.420 3.987 18.622 449 2HE LYS 54 HE1 LYS 54 147.707 2.779 19.874 450 1HZ LYS 54 HZ1 LYS 54 148.237 5.417 20.102 451 2HZ LYS 54 HZ2 LYS 54 149.759 4.791 19.717 452 3HZ LYS 54 HZ3 LYS 54 148.921 4.203 21.063 453 H GLY 55 HN GLY 55 153.161 2.454 14.335 454 1HA GLY 55 HA2 GLY 55 152.273 4.343 12.337 455 2HA GLY 55 HA1 GLY 55 153.347 2.977 12.084 456 H TYR 56 HN TYR 56 152.259 2.417 10.171 457 HA TYR 56 HA TYR 56 150.246 0.496 10.506 458 1HB TYR 56 HB2 TYR 56 148.422 1.679 9.215 459 2HB TYR 56 HB1 TYR 56 148.667 2.219 10.868 460 HD1 TYR 56 HD1 TYR 56 149.329 4.470 11.346 461 HD2 TYR 56 HD2 TYR 56 149.183 3.106 7.315 462 HE1 TYR 56 HE1 TYR 56 149.486 6.790 10.559 463 HE2 TYR 56 HE2 TYR 56 149.343 5.423 6.522 464 HH TYR 56 HH TYR 56 148.831 7.708 7.392 465 H GLU 57 HN GLU 57 150.919 -0.914 9.054 466 HA GLU 57 HA GLU 57 152.016 0.016 6.522 467 1HB GLU 57 HB2 GLU 57 152.856 -1.958 8.168 468 2HB GLU 57 HB1 GLU 57 151.856 -2.883 7.057 469 1HG GLU 57 HG2 GLU 57 153.741 -0.988 5.828 470 2HG GLU 57 HG1 GLU 57 154.453 -2.370 6.655 471 H TYR 58 HN TYR 58 150.864 0.089 4.740 472 HA TYR 58 HA TYR 58 148.325 -1.405 4.651 473 1HB TYR 58 HB2 TYR 58 148.997 1.317 4.075 474 2HB TYR 58 HB1 TYR 58 148.455 0.558 2.584 475 HD1 TYR 58 HD1 TYR 58 146.166 0.005 2.248 476 HD2 TYR 58 HD2 TYR 58 147.484 1.392 6.047 477 HE1 TYR 58 HE1 TYR 58 143.827 0.309 2.943 478 HE2 TYR 58 HE2 TYR 58 145.148 1.698 6.755 479 HH TYR 58 HH TYR 58 142.496 1.409 4.521 480 H GLN 59 HN GLN 59 148.413 -3.182 3.451 481 HA GLN 59 HA GLN 59 150.176 -3.234 1.093 482 1HB GLN 59 HB2 GLN 59 148.949 -5.592 2.537 483 2HB GLN 59 HB1 GLN 59 150.164 -5.647 1.267 484 1HG GLN 59 HG2 GLN 59 151.268 -4.031 3.245 485 2HG GLN 59 HG1 GLN 59 150.486 -5.351 4.111 486 1HE2 GLN 59 HE21 GLN 59 152.102 -5.257 0.962 487 2HE2 GLN 59 HE22 GLN 59 153.283 -6.461 1.338 488 H LEU 60 HN LEU 60 148.947 -2.530 -0.596 489 HA LEU 60 HA LEU 60 146.337 -3.779 -0.936 490 1HB LEU 60 HB2 LEU 60 146.997 -1.071 -0.875 491 2HB LEU 60 HB1 LEU 60 146.695 -1.426 -2.564 492 HG LEU 60 HG LEU 60 144.642 -0.667 -1.650 493 1HD1 LEU 60 HD11 LEU 60 144.326 -3.642 -1.598 494 2HD1 LEU 60 HD12 LEU 60 144.645 -2.757 -3.089 495 3HD1 LEU 60 HD13 LEU 60 143.188 -2.415 -2.156 496 1HD2 LEU 60 HD21 LEU 60 144.022 -0.924 0.472 497 2HD2 LEU 60 HD22 LEU 60 145.590 -1.682 0.749 498 3HD2 LEU 60 HD23 LEU 60 144.180 -2.678 0.382 499 H TYR 61 HN TYR 61 145.690 -4.503 -2.983 500 HA TYR 61 HA TYR 61 147.924 -4.907 -4.856 501 1HB TYR 61 HB2 TYR 61 145.618 -6.615 -4.039 502 2HB TYR 61 HB1 TYR 61 146.205 -6.754 -5.694 503 HD1 TYR 61 HD1 TYR 61 147.998 -8.158 -6.163 504 HD2 TYR 61 HD2 TYR 61 147.393 -6.849 -2.161 505 HE1 TYR 61 HE1 TYR 61 149.783 -9.670 -5.405 506 HE2 TYR 61 HE2 TYR 61 149.177 -8.358 -1.392 507 HH TYR 61 HH TYR 61 151.371 -9.817 -3.464 508 H VAL 62 HN VAL 62 147.551 -2.847 -5.799 509 HA VAL 62 HA VAL 62 145.103 -2.001 -6.881 510 HB VAL 62 HB VAL 62 147.825 -1.252 -7.940 511 1HG1 VAL 62 HG11 VAL 62 146.844 0.531 -8.931 512 2HG1 VAL 62 HG12 VAL 62 145.604 0.684 -7.688 513 3HG1 VAL 62 HG13 VAL 62 145.452 -0.552 -8.937 514 1HG2 VAL 62 HG21 VAL 62 146.535 -0.637 -5.357 515 2HG2 VAL 62 HG22 VAL 62 147.276 0.720 -6.203 516 3HG2 VAL 62 HG23 VAL 62 148.243 -0.695 -5.789 517 H TYR 63 HN TYR 63 144.148 -3.682 -8.058 518 HA TYR 63 HA TYR 63 145.561 -4.780 -10.344 519 1HB TYR 63 HB2 TYR 63 143.971 -6.099 -8.814 520 2HB TYR 63 HB1 TYR 63 142.668 -5.272 -9.659 521 HD1 TYR 63 HD1 TYR 63 145.753 -7.239 -10.434 522 HD2 TYR 63 HD2 TYR 63 141.734 -6.324 -11.487 523 HE1 TYR 63 HE1 TYR 63 145.843 -8.927 -12.220 524 HE2 TYR 63 HE2 TYR 63 141.811 -8.011 -13.273 525 HH TYR 63 HH TYR 63 144.479 -9.223 -14.545 526 H ALA 64 HN ALA 64 145.795 -2.683 -11.384 527 HA ALA 64 HA ALA 64 143.519 -1.232 -12.280 528 1HB ALA 64 HB1 ALA 64 146.417 -1.025 -12.532 529 2HB ALA 64 HB2 ALA 64 145.196 0.237 -12.373 530 3HB ALA 64 HB3 ALA 64 145.538 -0.464 -13.955 531 H SER 65 HN SER 65 143.672 -0.684 -14.834 532 HA SER 65 HA SER 65 142.584 -2.967 -16.108 533 1HB SER 65 HB2 SER 65 142.279 -0.355 -16.541 534 2HB SER 65 HB1 SER 65 143.532 -0.663 -17.744 535 HG SER 65 HG SER 65 141.102 -2.116 -17.532 536 H ASP 66 HN ASP 66 145.603 -1.164 -16.675 537 HA ASP 66 HA ASP 66 146.642 -2.696 -18.701 538 1HB ASP 66 HB2 ASP 66 147.537 -0.582 -17.168 539 2HB ASP 66 HB1 ASP 66 148.692 -1.862 -16.814 540 H LYS 67 HN LYS 67 147.069 -3.106 -15.266 541 HA LYS 67 HA LYS 67 147.017 -5.883 -15.230 542 1HB LYS 67 HB2 LYS 67 149.650 -4.715 -15.875 543 2HB LYS 67 HB1 LYS 67 149.663 -5.926 -14.600 544 1HG LYS 67 HG2 LYS 67 148.065 -6.844 -16.792 545 2HG LYS 67 HG1 LYS 67 149.651 -6.337 -17.373 546 1HD LYS 67 HD2 LYS 67 150.664 -8.098 -16.442 547 2HD LYS 67 HD1 LYS 67 149.807 -7.885 -14.915 548 1HE LYS 67 HE2 LYS 67 147.807 -8.939 -16.001 549 2HE LYS 67 HE1 LYS 67 148.835 -9.315 -17.381 550 1HZ LYS 67 HZ1 LYS 67 149.841 -10.143 -14.783 551 2HZ LYS 67 HZ2 LYS 67 149.881 -10.951 -16.269 552 3HZ LYS 67 HZ3 LYS 67 148.471 -10.968 -15.337 553 H LEU 68 HN LEU 68 148.527 -6.633 -13.160 554 HA LEU 68 HA LEU 68 147.284 -5.362 -10.953 555 1HB LEU 68 HB2 LEU 68 148.961 -6.816 -9.634 556 2HB LEU 68 HB1 LEU 68 147.709 -7.603 -10.574 557 HG LEU 68 HG LEU 68 150.249 -7.188 -12.009 558 1HD1 LEU 68 HD11 LEU 68 150.176 -9.361 -9.948 559 2HD1 LEU 68 HD12 LEU 68 150.848 -7.774 -9.579 560 3HD1 LEU 68 HD13 LEU 68 151.548 -8.749 -10.871 561 1HD2 LEU 68 HD21 LEU 68 148.954 -8.549 -13.251 562 2HD2 LEU 68 HD22 LEU 68 148.029 -9.115 -11.860 563 3HD2 LEU 68 HD23 LEU 68 149.615 -9.806 -12.206 564 H PHE 69 HN PHE 69 148.564 -4.585 -9.019 565 HA PHE 69 HA PHE 69 151.147 -3.459 -9.431 566 1HB PHE 69 HB2 PHE 69 148.738 -1.764 -9.874 567 2HB PHE 69 HB1 PHE 69 150.094 -1.047 -9.010 568 HD1 PHE 69 HD1 PHE 69 152.452 -1.568 -10.188 569 HD2 PHE 69 HD2 PHE 69 148.671 -1.447 -12.137 570 HE1 PHE 69 HE1 PHE 69 153.576 -1.113 -12.330 571 HE2 PHE 69 HE2 PHE 69 149.786 -0.991 -14.282 572 HZ PHE 69 HZ PHE 69 152.242 -0.822 -14.380 573 H ARG 70 HN ARG 70 151.010 -4.901 -7.461 574 HA ARG 70 HA ARG 70 149.653 -4.135 -5.151 575 1HB ARG 70 HB2 ARG 70 150.622 -6.357 -5.417 576 2HB ARG 70 HB1 ARG 70 152.239 -5.667 -5.435 577 1HG ARG 70 HG2 ARG 70 151.785 -4.817 -3.111 578 2HG ARG 70 HG1 ARG 70 150.317 -5.797 -3.128 579 1HD ARG 70 HD2 ARG 70 152.105 -7.012 -2.042 580 2HD ARG 70 HD1 ARG 70 151.684 -7.796 -3.563 581 HE ARG 70 HE ARG 70 153.769 -7.282 -4.384 582 1HH1 ARG 70 HH11 ARG 70 153.230 -5.525 -1.414 583 2HH1 ARG 70 HH12 ARG 70 154.878 -5.010 -1.275 584 1HH2 ARG 70 HH21 ARG 70 155.935 -6.608 -4.200 585 2HH2 ARG 70 HH22 ARG 70 156.413 -5.623 -2.856 586 H ALA 71 HN ALA 71 149.950 -2.478 -3.786 587 HA ALA 71 HA ALA 71 152.566 -1.133 -3.840 588 1HB ALA 71 HB1 ALA 71 149.901 0.161 -3.292 589 2HB ALA 71 HB2 ALA 71 150.745 0.212 -4.840 590 3HB ALA 71 HB3 ALA 71 151.463 0.971 -3.419 591 H ASP 72 HN ASP 72 153.241 -0.058 -1.803 592 HA ASP 72 HA ASP 72 151.866 -1.222 0.535 593 1HB ASP 72 HB2 ASP 72 154.206 -2.288 -0.405 594 2HB ASP 72 HB1 ASP 72 154.799 -1.137 0.787 595 H ILE 73 HN ILE 73 151.890 -0.002 2.381 596 HA ILE 73 HA ILE 73 153.395 2.509 2.362 597 HB ILE 73 HB ILE 73 150.421 2.262 2.780 598 1HG1 ILE 73 HG12 ILE 73 150.739 4.378 1.184 599 2HG1 ILE 73 HG11 ILE 73 152.230 3.535 0.790 600 1HG2 ILE 73 HG21 ILE 73 152.334 4.291 3.807 601 2HG2 ILE 73 HG22 ILE 73 150.836 3.687 4.515 602 3HG2 ILE 73 HG23 ILE 73 150.779 4.854 3.195 603 1HD1 ILE 73 HD11 ILE 73 150.026 1.709 0.755 604 2HD1 ILE 73 HD12 ILE 73 151.153 2.139 -0.531 605 3HD1 ILE 73 HD13 ILE 73 149.700 3.103 -0.275 606 H SER 74 HN SER 74 154.757 1.739 3.959 607 HA SER 74 HA SER 74 153.598 0.860 6.486 608 1HB SER 74 HB2 SER 74 156.441 1.081 6.651 609 2HB SER 74 HB1 SER 74 155.463 -0.385 6.631 610 HG SER 74 HG SER 74 156.066 -0.720 4.651 611 H GLU 75 HN GLU 75 153.258 2.212 8.115 612 HA GLU 75 HA GLU 75 154.493 4.857 7.915 613 1HB GLU 75 HB2 GLU 75 151.907 4.356 7.987 614 2HB GLU 75 HB1 GLU 75 152.191 4.308 9.721 615 1HG GLU 75 HG2 GLU 75 153.417 6.587 8.449 616 2HG GLU 75 HG1 GLU 75 151.677 6.524 8.207 617 H ASP 76 HN ASP 76 155.287 5.896 9.703 618 HA ASP 76 HA ASP 76 155.746 4.362 12.103 619 1HB ASP 76 HB2 ASP 76 157.765 5.079 10.165 620 2HB ASP 76 HB1 ASP 76 158.112 5.822 11.723 621 H TYR 77 HN TYR 77 156.531 5.823 13.919 622 HA TYR 77 HA TYR 77 155.593 8.576 13.509 623 1HB TYR 77 HB2 TYR 77 154.476 6.546 15.274 624 2HB TYR 77 HB1 TYR 77 154.854 8.051 16.106 625 HD1 TYR 77 HD1 TYR 77 152.313 6.363 14.542 626 HD2 TYR 77 HD2 TYR 77 154.148 10.199 14.557 627 HE1 TYR 77 HE1 TYR 77 150.234 7.353 13.672 628 HE2 TYR 77 HE2 TYR 77 152.075 11.202 13.690 629 HH TYR 77 HH TYR 77 149.554 9.381 12.395 630 H LYS 78 HN LYS 78 158.118 6.670 14.477 631 HA LYS 78 HA LYS 78 159.098 8.019 16.749 632 1HB LYS 78 HB2 LYS 78 159.952 5.916 15.119 633 2HB LYS 78 HB1 LYS 78 161.197 7.144 14.929 634 1HG LYS 78 HG2 LYS 78 160.283 5.817 17.466 635 2HG LYS 78 HG1 LYS 78 161.869 5.725 16.700 636 1HD LYS 78 HD2 LYS 78 162.540 7.466 17.906 637 2HD LYS 78 HD1 LYS 78 161.299 8.463 17.149 638 1HE LYS 78 HE2 LYS 78 159.709 7.399 18.880 639 2HE LYS 78 HE1 LYS 78 161.186 6.945 19.730 640 1HZ LYS 78 HZ1 LYS 78 161.590 9.058 20.336 641 2HZ LYS 78 HZ2 LYS 78 159.927 9.260 20.092 642 3HZ LYS 78 HZ3 LYS 78 161.020 9.717 18.884 643 H THR 79 HN THR 79 159.044 8.678 13.373 644 HA THR 79 HA THR 79 159.929 11.409 13.813 645 HB THR 79 HB THR 79 161.251 11.117 11.560 646 HG1 THR 79 HG1 THR 79 160.681 8.927 11.269 647 1HG2 THR 79 HG21 THR 79 162.059 10.945 14.291 648 2HG2 THR 79 HG22 THR 79 162.931 11.600 12.904 649 3HG2 THR 79 HG23 THR 79 163.069 9.887 13.304 650 H ARG 80 HN ARG 80 157.512 9.684 13.102 651 HA ARG 80 HA ARG 80 155.594 9.964 11.932 652 1HB ARG 80 HB2 ARG 80 156.647 12.195 10.276 653 2HB ARG 80 HB1 ARG 80 155.054 11.974 10.982 654 1HG ARG 80 HG2 ARG 80 156.729 12.247 13.176 655 2HG ARG 80 HG1 ARG 80 157.348 13.413 12.005 656 1HD ARG 80 HD2 ARG 80 154.411 13.251 12.504 657 2HD ARG 80 HD1 ARG 80 155.440 14.080 13.671 658 HE ARG 80 HE ARG 80 154.726 14.980 11.034 659 1HH1 ARG 80 HH11 ARG 80 157.047 15.248 13.626 660 2HH1 ARG 80 HH12 ARG 80 157.580 16.826 13.152 661 1HH2 ARG 80 HH21 ARG 80 155.427 17.056 10.410 662 2HH2 ARG 80 HH22 ARG 80 156.662 17.851 11.327 663 H GLY 81 HN GLY 81 157.355 8.090 11.090 664 1HA GLY 81 HA2 GLY 81 158.207 8.189 8.447 665 2HA GLY 81 HA1 GLY 81 157.752 6.720 9.294 666 H ARG 82 HN ARG 82 157.251 6.654 6.741 667 HA ARG 82 HA ARG 82 154.660 5.976 6.393 668 1HB ARG 82 HB2 ARG 82 154.814 8.819 6.578 669 2HB ARG 82 HB1 ARG 82 154.419 8.415 4.914 670 1HG ARG 82 HG2 ARG 82 152.711 6.778 6.196 671 2HG ARG 82 HG1 ARG 82 152.830 8.089 7.371 672 1HD ARG 82 HD2 ARG 82 152.448 8.837 4.528 673 2HD ARG 82 HD1 ARG 82 151.075 8.119 5.369 674 HE ARG 82 HE ARG 82 151.889 10.036 7.081 675 1HH1 ARG 82 HH11 ARG 82 151.140 10.076 3.673 676 2HH1 ARG 82 HH12 ARG 82 150.604 11.722 3.683 677 1HH2 ARG 82 HH21 ARG 82 151.186 12.200 7.096 678 2HH2 ARG 82 HH22 ARG 82 150.632 12.929 5.625 679 H LYS 83 HN LYS 83 156.024 4.535 5.258 680 HA LYS 83 HA LYS 83 157.424 5.387 2.935 681 1HB LYS 83 HB2 LYS 83 157.218 2.941 4.542 682 2HB LYS 83 HB1 LYS 83 157.530 2.683 2.831 683 1HG LYS 83 HG2 LYS 83 159.189 4.761 4.042 684 2HG LYS 83 HG1 LYS 83 159.423 3.152 4.729 685 1HD LYS 83 HD2 LYS 83 159.397 2.543 2.103 686 2HD LYS 83 HD1 LYS 83 160.058 4.178 2.032 687 1HE LYS 83 HE2 LYS 83 161.710 3.456 3.797 688 2HE LYS 83 HE1 LYS 83 161.145 1.807 3.534 689 1HZ LYS 83 HZ1 LYS 83 161.662 2.563 1.035 690 2HZ LYS 83 HZ2 LYS 83 162.797 1.799 2.029 691 3HZ LYS 83 HZ3 LYS 83 162.821 3.482 1.858 692 H LEU 84 HN LEU 84 155.685 6.179 1.612 693 HA LEU 84 HA LEU 84 153.883 4.126 0.543 694 1HB LEU 84 HB2 LEU 84 153.850 6.985 -0.346 695 2HB LEU 84 HB1 LEU 84 152.528 5.837 -0.273 696 HG LEU 84 HG LEU 84 153.059 6.054 2.356 697 1HD1 LEU 84 HD11 LEU 84 154.764 7.928 1.420 698 2HD1 LEU 84 HD12 LEU 84 154.013 7.980 3.015 699 3HD1 LEU 84 HD13 LEU 84 153.318 8.904 1.683 700 1HD2 LEU 84 HD21 LEU 84 150.900 6.382 1.146 701 2HD2 LEU 84 HD22 LEU 84 151.382 8.052 0.849 702 3HD2 LEU 84 HD23 LEU 84 151.148 7.484 2.502 703 H LEU 85 HN LEU 85 154.820 2.950 -1.058 704 HA LEU 85 HA LEU 85 155.921 4.338 -3.339 705 1HB LEU 85 HB2 LEU 85 158.030 2.798 -3.076 706 2HB LEU 85 HB1 LEU 85 157.947 4.370 -2.305 707 HG LEU 85 HG LEU 85 156.898 2.187 -0.647 708 1HD1 LEU 85 HD11 LEU 85 159.858 2.265 -1.243 709 2HD1 LEU 85 HD12 LEU 85 158.747 1.048 -1.871 710 3HD1 LEU 85 HD13 LEU 85 159.017 1.182 -0.134 711 1HD2 LEU 85 HD21 LEU 85 159.151 3.998 0.094 712 2HD2 LEU 85 HD22 LEU 85 157.789 3.435 1.060 713 3HD2 LEU 85 HD23 LEU 85 157.550 4.694 -0.151 714 H ARG 86 HN ARG 86 156.366 1.075 -1.977 715 HA ARG 86 HA ARG 86 156.550 -0.587 -3.922 716 1HB ARG 86 HB2 ARG 86 155.164 -0.746 -1.438 717 2HB ARG 86 HB1 ARG 86 154.248 -1.646 -2.640 718 1HG ARG 86 HG2 ARG 86 155.628 -3.310 -2.009 719 2HG ARG 86 HG1 ARG 86 156.701 -2.560 -3.192 720 1HD ARG 86 HD2 ARG 86 157.195 -1.123 -0.896 721 2HD ARG 86 HD1 ARG 86 156.954 -2.763 -0.296 722 HE ARG 86 HE ARG 86 159.195 -1.790 -1.759 723 1HH1 ARG 86 HH11 ARG 86 157.225 -4.626 -1.240 724 2HH1 ARG 86 HH12 ARG 86 158.488 -5.733 -1.662 725 1HH2 ARG 86 HH21 ARG 86 160.856 -3.246 -2.315 726 2HH2 ARG 86 HH22 ARG 86 160.549 -4.949 -2.274 727 H PHE 87 HN PHE 87 155.709 -1.214 -5.770 728 HA PHE 87 HA PHE 87 152.969 -1.070 -6.474 729 1HB PHE 87 HB2 PHE 87 154.360 1.357 -6.756 730 2HB PHE 87 HB1 PHE 87 154.249 0.694 -8.382 731 HD1 PHE 87 HD1 PHE 87 152.370 1.981 -5.523 732 HD2 PHE 87 HD2 PHE 87 152.124 0.462 -9.490 733 HE1 PHE 87 HE1 PHE 87 150.056 2.796 -5.686 734 HE2 PHE 87 HE2 PHE 87 149.808 1.276 -9.661 735 HZ PHE 87 HZ PHE 87 148.772 2.443 -7.758 736 H ASN 88 HN ASN 88 153.834 -3.278 -6.812 737 HA ASN 88 HA ASN 88 155.252 -3.520 -9.383 738 1HB ASN 88 HB2 ASN 88 155.768 -4.711 -6.847 739 2HB ASN 88 HB1 ASN 88 155.288 -5.991 -7.956 740 1HD2 ASN 88 HD21 ASN 88 157.856 -5.625 -6.795 741 2HD2 ASN 88 HD22 ASN 88 158.974 -5.360 -8.086 742 H GLY 89 HN GLY 89 154.588 -5.079 -10.873 743 1HA GLY 89 HA2 GLY 89 152.574 -6.954 -10.598 744 2HA GLY 89 HA1 GLY 89 151.773 -5.453 -11.042 745 HA PRO 90 HA PRO 90 154.654 -6.419 -14.792 746 1HB PRO 90 HB2 PRO 90 155.790 -9.066 -14.240 747 2HB PRO 90 HB1 PRO 90 156.607 -7.576 -14.720 748 1HG PRO 90 HG2 PRO 90 156.853 -8.614 -12.244 749 2HG PRO 90 HG1 PRO 90 156.876 -6.866 -12.546 750 1HD PRO 90 HD2 PRO 90 154.642 -8.587 -11.532 751 2HD PRO 90 HD1 PRO 90 155.150 -6.971 -10.998 752 H VAL 91 HN VAL 91 154.010 -9.735 -13.657 753 HA VAL 91 HA VAL 91 151.750 -9.939 -15.489 754 HB VAL 91 HB VAL 91 153.694 -10.640 -16.826 755 1HG1 VAL 91 HG11 VAL 91 154.820 -12.796 -16.200 756 2HG1 VAL 91 HG12 VAL 91 154.073 -12.644 -14.611 757 3HG1 VAL 91 HG13 VAL 91 155.213 -11.420 -15.171 758 1HG2 VAL 91 HG21 VAL 91 152.000 -11.806 -17.728 759 2HG2 VAL 91 HG22 VAL 91 151.431 -12.383 -16.162 760 3HG2 VAL 91 HG23 VAL 91 152.774 -13.197 -16.967 Start of MODEL 15 1 1H GLY 1 HT1 GLY 1 154.875 -6.770 11.266 2 2H GLY 1 HT2 GLY 1 154.140 -7.814 12.376 3 3H GLY 1 HT3 GLY 1 155.152 -6.574 12.925 4 1HA GLY 1 HA1 GLY 1 153.580 -5.002 12.784 5 2HA GLY 1 HA2 GLY 1 152.935 -5.682 11.298 6 H GLU 2 HN GLU 2 150.999 -4.897 12.740 7 HA GLU 2 HA GLU 2 149.960 -7.308 14.058 8 1HB GLU 2 HB2 GLU 2 150.481 -4.762 15.288 9 2HB GLU 2 HB1 GLU 2 148.754 -5.087 15.321 10 1HG GLU 2 HG2 GLU 2 148.986 -6.935 16.663 11 2HG GLU 2 HG1 GLU 2 150.653 -7.220 16.166 12 H TRP 3 HN TRP 3 147.438 -6.424 14.664 13 HA TRP 3 HA TRP 3 145.363 -6.130 13.790 14 1HB TRP 3 HB2 TRP 3 147.016 -4.225 12.208 15 2HB TRP 3 HB1 TRP 3 145.400 -4.585 11.609 16 HD1 TRP 3 HD1 TRP 3 147.218 -2.818 14.453 17 HE1 TRP 3 HE1 TRP 3 145.523 -1.395 15.767 18 HE3 TRP 3 HE3 TRP 3 142.900 -4.463 12.261 19 HZ2 TRP 3 HZ2 TRP 3 142.728 -1.019 15.864 20 HZ3 TRP 3 HZ3 TRP 3 140.759 -3.520 13.023 21 HH2 TRP 3 HH2 TRP 3 140.675 -1.834 14.787 22 H GLU 4 HN GLU 4 147.102 -5.948 10.702 23 HA GLU 4 HA GLU 4 147.125 -7.310 8.880 24 1HB GLU 4 HB2 GLU 4 147.753 -9.025 10.676 25 2HB GLU 4 HB1 GLU 4 146.072 -9.538 10.614 26 1HG GLU 4 HG2 GLU 4 146.268 -10.381 8.473 27 2HG GLU 4 HG1 GLU 4 147.685 -9.399 8.107 28 H ILE 5 HN ILE 5 145.610 -6.564 7.546 29 HA ILE 5 HA ILE 5 143.619 -6.158 6.549 30 HB ILE 5 HB ILE 5 144.217 -8.552 6.079 31 1HG1 ILE 5 HG12 ILE 5 141.256 -8.310 5.874 32 2HG1 ILE 5 HG11 ILE 5 142.234 -7.044 5.138 33 1HG2 ILE 5 HG21 ILE 5 143.768 -9.750 8.011 34 2HG2 ILE 5 HG22 ILE 5 142.418 -10.177 6.960 35 3HG2 ILE 5 HG23 ILE 5 142.194 -8.989 8.244 36 1HD1 ILE 5 HD11 ILE 5 143.492 -8.964 3.998 37 2HD1 ILE 5 HD12 ILE 5 141.878 -8.555 3.417 38 3HD1 ILE 5 HD13 ILE 5 142.110 -9.953 4.464 39 H ILE 6 HN ILE 6 141.178 -6.300 6.698 40 HA ILE 6 HA ILE 6 140.017 -6.657 9.296 41 HB ILE 6 HB ILE 6 139.135 -4.143 9.099 42 1HG1 ILE 6 HG12 ILE 6 141.964 -3.520 8.538 43 2HG1 ILE 6 HG11 ILE 6 141.040 -4.068 7.144 44 1HG2 ILE 6 HG21 ILE 6 141.789 -4.714 10.385 45 2HG2 ILE 6 HG22 ILE 6 140.266 -5.351 11.006 46 3HG2 ILE 6 HG23 ILE 6 140.526 -3.609 10.925 47 1HD1 ILE 6 HD11 ILE 6 141.134 -1.580 7.533 48 2HD1 ILE 6 HD12 ILE 6 140.098 -1.853 8.933 49 3HD1 ILE 6 HD13 ILE 6 139.527 -2.275 7.319 50 H GLU 7 HN GLU 7 139.450 -4.756 6.323 51 HA GLU 7 HA GLU 7 136.841 -6.109 6.090 52 1HB GLU 7 HB2 GLU 7 137.633 -3.273 5.731 53 2HB GLU 7 HB1 GLU 7 136.457 -3.913 4.592 54 1HG GLU 7 HG2 GLU 7 135.143 -4.694 6.611 55 2HG GLU 7 HG1 GLU 7 136.227 -3.693 7.575 56 H ILE 8 HN ILE 8 136.073 -5.602 3.616 57 HA ILE 8 HA ILE 8 138.285 -6.458 1.869 58 HB ILE 8 HB ILE 8 135.483 -7.566 1.717 59 1HG1 ILE 8 HG12 ILE 8 137.754 -9.318 2.460 60 2HG1 ILE 8 HG11 ILE 8 137.222 -8.183 3.696 61 1HG2 ILE 8 HG21 ILE 8 137.028 -9.303 0.374 62 2HG2 ILE 8 HG22 ILE 8 137.918 -7.812 0.073 63 3HG2 ILE 8 HG23 ILE 8 136.218 -7.932 -0.385 64 1HD1 ILE 8 HD11 ILE 8 136.183 -10.471 3.757 65 2HD1 ILE 8 HD12 ILE 8 135.335 -10.031 2.275 66 3HD1 ILE 8 HD13 ILE 8 135.060 -9.112 3.756 67 H GLY 9 HN GLY 9 135.461 -4.509 2.293 68 1HA GLY 9 HA2 GLY 9 135.105 -3.940 -0.513 69 2HA GLY 9 HA1 GLY 9 134.277 -3.158 0.823 70 HA PRO 10 HA PRO 10 136.619 0.491 -0.053 71 1HB PRO 10 HB2 PRO 10 136.732 1.517 2.515 72 2HB PRO 10 HB1 PRO 10 135.375 1.726 1.405 73 1HG PRO 10 HG2 PRO 10 135.715 -0.229 3.641 74 2HG PRO 10 HG1 PRO 10 134.270 0.677 3.150 75 1HD PRO 10 HD2 PRO 10 134.574 -1.912 2.526 76 2HD PRO 10 HD1 PRO 10 133.804 -0.776 1.399 77 H PHE 11 HN PHE 11 137.519 -1.595 2.636 78 HA PHE 11 HA PHE 11 139.971 -0.690 3.376 79 1HB PHE 11 HB2 PHE 11 138.868 -2.656 4.356 80 2HB PHE 11 HB1 PHE 11 139.221 -3.580 2.901 81 HD1 PHE 11 HD1 PHE 11 140.934 -1.607 5.551 82 HD2 PHE 11 HD2 PHE 11 141.117 -4.876 2.836 83 HE1 PHE 11 HE1 PHE 11 143.098 -2.279 6.513 84 HE2 PHE 11 HE2 PHE 11 143.280 -5.556 3.790 85 HZ PHE 11 HZ PHE 11 144.275 -4.256 5.630 86 H THR 12 HN THR 12 139.128 -2.207 0.351 87 HA THR 12 HA THR 12 141.936 -2.355 -0.449 88 HB THR 12 HB THR 12 140.306 -3.173 -2.589 89 HG1 THR 12 HG1 THR 12 139.425 -4.471 -0.245 90 1HG2 THR 12 HG21 THR 12 141.225 -5.279 -0.759 91 2HG2 THR 12 HG22 THR 12 142.467 -4.173 -1.347 92 3HG2 THR 12 HG23 THR 12 141.478 -5.081 -2.490 93 H GLN 13 HN GLN 13 138.876 -1.196 -1.865 94 HA GLN 13 HA GLN 13 139.853 0.267 -3.961 95 1HB GLN 13 HB2 GLN 13 137.472 -0.105 -3.555 96 2HB GLN 13 HB1 GLN 13 137.524 0.985 -2.178 97 1HG GLN 13 HG2 GLN 13 138.414 2.683 -3.979 98 2HG GLN 13 HG1 GLN 13 137.580 1.592 -5.084 99 1HE2 GLN 13 HE21 GLN 13 135.328 0.930 -4.107 100 2HE2 GLN 13 HE22 GLN 13 134.354 2.268 -3.610 101 H ASN 14 HN ASN 14 139.590 1.318 -0.585 102 HA ASN 14 HA ASN 14 140.156 3.988 -0.800 103 1HB ASN 14 HB2 ASN 14 139.880 2.319 1.294 104 2HB ASN 14 HB1 ASN 14 141.626 2.543 1.340 105 1HD2 ASN 14 HD21 ASN 14 142.438 4.705 1.530 106 2HD2 ASN 14 HD22 ASN 14 141.490 5.916 2.318 107 H LEU 15 HN LEU 15 142.641 1.476 -0.258 108 HA LEU 15 HA LEU 15 144.864 3.070 -0.589 109 1HB LEU 15 HB2 LEU 15 144.291 0.193 -1.008 110 2HB LEU 15 HB1 LEU 15 145.773 0.810 -1.715 111 HG LEU 15 HG LEU 15 146.324 -0.086 0.423 112 1HD1 LEU 15 HD11 LEU 15 147.440 1.708 1.374 113 2HD1 LEU 15 HD12 LEU 15 146.143 2.843 1.004 114 3HD1 LEU 15 HD13 LEU 15 147.185 2.243 -0.286 115 1HD2 LEU 15 HD21 LEU 15 144.371 -0.273 1.631 116 2HD2 LEU 15 HD22 LEU 15 143.886 1.391 1.309 117 3HD2 LEU 15 HD23 LEU 15 145.176 1.058 2.464 118 H GLY 16 HN GLY 16 142.633 1.846 -2.964 119 1HA GLY 16 HA2 GLY 16 144.105 2.172 -5.312 120 2HA GLY 16 HA1 GLY 16 142.360 2.373 -5.185 121 H LYS 17 HN LYS 17 142.248 4.531 -3.415 122 HA LYS 17 HA LYS 17 142.639 6.713 -5.179 123 1HB LYS 17 HB2 LYS 17 141.126 6.385 -2.995 124 2HB LYS 17 HB1 LYS 17 142.486 7.206 -2.244 125 1HG LYS 17 HG2 LYS 17 141.465 8.440 -4.712 126 2HG LYS 17 HG1 LYS 17 140.373 8.470 -3.326 127 1HD LYS 17 HD2 LYS 17 141.889 9.691 -2.018 128 2HD LYS 17 HD1 LYS 17 143.244 9.317 -3.083 129 1HE LYS 17 HE2 LYS 17 141.823 10.604 -4.857 130 2HE LYS 17 HE1 LYS 17 141.033 11.292 -3.441 131 1HZ LYS 17 HZ1 LYS 17 142.697 12.778 -3.622 132 2HZ LYS 17 HZ2 LYS 17 143.720 11.721 -4.456 133 3HZ LYS 17 HZ3 LYS 17 143.582 11.611 -2.774 134 H PHE 18 HN PHE 18 144.403 5.572 -2.330 135 HA PHE 18 HA PHE 18 146.404 7.569 -2.389 136 1HB PHE 18 HB2 PHE 18 145.836 5.158 -0.870 137 2HB PHE 18 HB1 PHE 18 147.556 5.312 -1.213 138 HD1 PHE 18 HD1 PHE 18 144.663 6.924 0.392 139 HD2 PHE 18 HD2 PHE 18 148.884 6.955 -0.141 140 HE1 PHE 18 HE1 PHE 18 144.879 8.533 2.242 141 HE2 PHE 18 HE2 PHE 18 149.110 8.564 1.707 142 HZ PHE 18 HZ PHE 18 147.106 9.354 2.902 143 H ALA 19 HN ALA 19 145.806 4.848 -4.305 144 HA ALA 19 HA ALA 19 148.420 4.116 -5.057 145 1HB ALA 19 HB1 ALA 19 147.423 2.648 -6.458 146 2HB ALA 19 HB2 ALA 19 146.296 3.850 -7.086 147 3HB ALA 19 HB3 ALA 19 145.984 3.075 -5.533 148 H VAL 20 HN VAL 20 146.016 6.044 -6.869 149 HA VAL 20 HA VAL 20 147.770 6.922 -8.859 150 HB VAL 20 HB VAL 20 145.329 7.146 -9.047 151 1HG1 VAL 20 HG11 VAL 20 145.590 8.485 -6.554 152 2HG1 VAL 20 HG12 VAL 20 144.119 8.045 -7.422 153 3HG1 VAL 20 HG13 VAL 20 144.883 9.607 -7.715 154 1HG2 VAL 20 HG21 VAL 20 145.331 9.573 -9.869 155 2HG2 VAL 20 HG22 VAL 20 146.490 8.457 -10.595 156 3HG2 VAL 20 HG23 VAL 20 147.021 9.603 -9.364 157 H ASP 21 HN ASP 21 147.232 8.051 -5.605 158 HA ASP 21 HA ASP 21 148.717 10.502 -5.982 159 1HB ASP 21 HB2 ASP 21 146.814 10.172 -4.319 160 2HB ASP 21 HB1 ASP 21 147.953 9.242 -3.348 161 H GLU 22 HN GLU 22 149.377 7.227 -5.133 162 HA GLU 22 HA GLU 22 151.936 7.813 -3.905 163 1HB GLU 22 HB2 GLU 22 150.779 5.960 -2.968 164 2HB GLU 22 HB1 GLU 22 150.466 5.260 -4.550 165 1HG GLU 22 HG2 GLU 22 152.875 4.827 -4.806 166 2HG GLU 22 HG1 GLU 22 153.141 5.464 -3.185 167 H GLU 23 HN GLU 23 150.671 6.673 -6.976 168 HA GLU 23 HA GLU 23 152.920 5.658 -8.194 169 1HB GLU 23 HB2 GLU 23 150.428 6.089 -9.034 170 2HB GLU 23 HB1 GLU 23 151.193 7.468 -9.811 171 1HG GLU 23 HG2 GLU 23 152.474 4.815 -10.135 172 2HG GLU 23 HG1 GLU 23 150.966 5.116 -10.998 173 H ASN 24 HN ASN 24 152.130 8.982 -7.502 174 HA ASN 24 HA ASN 24 154.104 10.146 -9.197 175 1HB ASN 24 HB2 ASN 24 152.255 11.099 -7.081 176 2HB ASN 24 HB1 ASN 24 153.681 12.087 -7.383 177 1HD2 ASN 24 HD21 ASN 24 151.262 10.307 -9.284 178 2HD2 ASN 24 HD22 ASN 24 150.977 11.576 -10.420 179 H LYS 25 HN LYS 25 154.195 8.687 -6.072 180 HA LYS 25 HA LYS 25 156.547 10.029 -5.153 181 1HB LYS 25 HB2 LYS 25 155.152 7.521 -4.219 182 2HB LYS 25 HB1 LYS 25 156.566 8.200 -3.421 183 1HG LYS 25 HG2 LYS 25 154.961 10.372 -3.526 184 2HG LYS 25 HG1 LYS 25 153.765 9.081 -3.386 185 1HD LYS 25 HD2 LYS 25 154.335 9.813 -1.179 186 2HD LYS 25 HD1 LYS 25 155.035 8.212 -1.425 187 1HE LYS 25 HE2 LYS 25 156.764 10.478 -2.158 188 2HE LYS 25 HE1 LYS 25 156.391 10.339 -0.441 189 1HZ LYS 25 HZ1 LYS 25 157.790 8.647 -0.254 190 2HZ LYS 25 HZ2 LYS 25 158.298 8.931 -1.842 191 3HZ LYS 25 HZ3 LYS 25 157.070 7.809 -1.536 192 H ILE 26 HN ILE 26 156.597 6.518 -5.094 193 HA ILE 26 HA ILE 26 159.221 6.202 -5.770 194 HB ILE 26 HB ILE 26 157.729 4.389 -4.972 195 1HG1 ILE 26 HG12 ILE 26 160.012 4.032 -6.064 196 2HG1 ILE 26 HG11 ILE 26 158.949 2.634 -5.971 197 1HG2 ILE 26 HG21 ILE 26 156.758 4.412 -7.821 198 2HG2 ILE 26 HG22 ILE 26 155.812 4.669 -6.355 199 3HG2 ILE 26 HG23 ILE 26 156.488 3.077 -6.702 200 1HD1 ILE 26 HD11 ILE 26 159.244 2.338 -8.140 201 2HD1 ILE 26 HD12 ILE 26 160.167 3.836 -8.255 202 3HD1 ILE 26 HD13 ILE 26 158.414 3.866 -8.437 203 H GLY 27 HN GLY 27 156.515 6.679 -7.953 204 1HA GLY 27 HA2 GLY 27 158.173 6.209 -10.301 205 2HA GLY 27 HA1 GLY 27 156.460 6.597 -10.295 206 H GLN 28 HN GLN 28 158.284 7.789 -12.043 207 HA GLN 28 HA GLN 28 158.934 10.410 -10.992 208 1HB GLN 28 HB2 GLN 28 160.064 8.853 -12.930 209 2HB GLN 28 HB1 GLN 28 159.124 9.979 -13.899 210 1HG GLN 28 HG2 GLN 28 160.242 11.792 -12.428 211 2HG GLN 28 HG1 GLN 28 161.407 10.522 -12.056 212 1HE2 GLN 28 HE21 GLN 28 161.798 13.022 -13.485 213 2HE2 GLN 28 HE22 GLN 28 162.394 12.598 -15.050 214 H TYR 29 HN TYR 29 156.945 9.179 -13.686 215 HA TYR 29 HA TYR 29 155.308 11.619 -13.466 216 1HB TYR 29 HB2 TYR 29 156.640 10.790 -15.670 217 2HB TYR 29 HB1 TYR 29 155.103 9.969 -15.915 218 HD1 TYR 29 HD1 TYR 29 156.277 13.358 -14.838 219 HD2 TYR 29 HD2 TYR 29 153.574 11.091 -17.217 220 HE1 TYR 29 HE1 TYR 29 155.313 15.442 -15.719 221 HE2 TYR 29 HE2 TYR 29 152.604 13.168 -18.105 222 HH TYR 29 HH TYR 29 153.296 16.245 -16.756 223 H GLY 30 HN GLY 30 153.338 11.347 -12.662 224 1HA GLY 30 HA2 GLY 30 152.273 8.749 -12.140 225 2HA GLY 30 HA1 GLY 30 151.463 10.280 -11.847 226 H ARG 31 HN ARG 31 149.945 8.243 -12.705 227 HA ARG 31 HA ARG 31 148.912 9.252 -15.173 228 1HB ARG 31 HB2 ARG 31 150.847 7.259 -15.412 229 2HB ARG 31 HB1 ARG 31 149.320 6.405 -15.586 230 1HG ARG 31 HG2 ARG 31 148.874 8.514 -17.203 231 2HG ARG 31 HG1 ARG 31 150.622 8.344 -17.372 232 1HD ARG 31 HD2 ARG 31 149.565 5.743 -17.500 233 2HD ARG 31 HD1 ARG 31 148.520 6.748 -18.502 234 HE ARG 31 HE ARG 31 151.243 6.008 -19.034 235 1HH1 ARG 31 HH11 ARG 31 148.754 8.373 -19.659 236 2HH1 ARG 31 HH12 ARG 31 149.446 8.889 -21.161 237 1HH2 ARG 31 HH21 ARG 31 152.156 6.686 -21.008 238 2HH2 ARG 31 HH22 ARG 31 151.378 7.931 -21.927 239 H LEU 32 HN LEU 32 147.203 7.366 -15.968 240 HA LEU 32 HA LEU 32 145.354 7.225 -13.761 241 1HB LEU 32 HB2 LEU 32 145.081 7.495 -16.480 242 2HB LEU 32 HB1 LEU 32 144.615 5.823 -16.226 243 HG LEU 32 HG LEU 32 143.394 8.123 -14.704 244 1HD1 LEU 32 HD11 LEU 32 141.605 8.176 -16.223 245 2HD1 LEU 32 HD12 LEU 32 142.140 6.705 -17.036 246 3HD1 LEU 32 HD13 LEU 32 143.059 8.199 -17.222 247 1HD2 LEU 32 HD21 LEU 32 141.566 6.366 -14.442 248 2HD2 LEU 32 HD22 LEU 32 143.049 6.129 -13.516 249 3HD2 LEU 32 HD23 LEU 32 142.770 5.199 -14.989 250 H THR 33 HN THR 33 145.187 5.586 -12.399 251 HA THR 33 HA THR 33 145.797 2.872 -13.331 252 HB THR 33 HB THR 33 147.810 3.565 -12.222 253 HG1 THR 33 HG1 THR 33 146.310 2.053 -10.356 254 1HG2 THR 33 HG21 THR 33 146.288 5.257 -10.728 255 2HG2 THR 33 HG22 THR 33 147.978 4.857 -10.420 256 3HG2 THR 33 HG23 THR 33 146.698 3.997 -9.565 257 H PHE 34 HN PHE 34 143.287 4.271 -12.832 258 HA PHE 34 HA PHE 34 142.301 2.856 -10.455 259 1HB PHE 34 HB2 PHE 34 141.769 5.454 -11.579 260 2HB PHE 34 HB1 PHE 34 140.271 4.538 -11.462 261 HD1 PHE 34 HD1 PHE 34 140.156 3.156 -9.116 262 HD2 PHE 34 HD2 PHE 34 142.228 6.809 -9.800 263 HE1 PHE 34 HE1 PHE 34 140.023 3.675 -6.715 264 HE2 PHE 34 HE2 PHE 34 142.099 7.335 -7.401 265 HZ PHE 34 HZ PHE 34 140.997 5.767 -5.853 266 H ASN 35 HN ASN 35 142.696 1.070 -12.330 267 HA ASN 35 HA ASN 35 140.310 0.770 -13.972 268 1HB ASN 35 HB2 ASN 35 142.757 0.213 -14.672 269 2HB ASN 35 HB1 ASN 35 142.495 -1.280 -13.775 270 1HD2 ASN 35 HD21 ASN 35 140.512 0.689 -15.963 271 2HD2 ASN 35 HD22 ASN 35 140.094 -0.608 -17.024 272 H LYS 36 HN LYS 36 142.052 -1.175 -11.538 273 HA LYS 36 HA LYS 36 139.578 -1.986 -10.320 274 1HB LYS 36 HB2 LYS 36 140.290 -3.520 -12.437 275 2HB LYS 36 HB1 LYS 36 141.146 -4.350 -11.145 276 1HG LYS 36 HG2 LYS 36 138.768 -4.099 -9.969 277 2HG LYS 36 HG1 LYS 36 138.247 -4.105 -11.654 278 1HD LYS 36 HD2 LYS 36 139.429 -6.210 -12.020 279 2HD LYS 36 HD1 LYS 36 139.984 -6.197 -10.345 280 1HE LYS 36 HE2 LYS 36 137.407 -6.000 -9.848 281 2HE LYS 36 HE1 LYS 36 137.267 -6.721 -11.450 282 1HZ LYS 36 HZ1 LYS 36 139.120 -7.972 -9.571 283 2HZ LYS 36 HZ2 LYS 36 138.132 -8.679 -10.746 284 3HZ LYS 36 HZ3 LYS 36 137.466 -8.175 -9.276 285 H VAL 37 HN VAL 37 140.953 -0.740 -8.758 286 HA VAL 37 HA VAL 37 143.261 -2.055 -7.649 287 HB VAL 37 HB VAL 37 141.705 0.191 -6.377 288 1HG1 VAL 37 HG11 VAL 37 143.302 0.127 -4.843 289 2HG1 VAL 37 HG12 VAL 37 144.519 0.413 -6.085 290 3HG1 VAL 37 HG13 VAL 37 144.053 -1.237 -5.671 291 1HG2 VAL 37 HG21 VAL 37 143.820 1.375 -7.678 292 2HG2 VAL 37 HG22 VAL 37 142.138 1.405 -8.203 293 3HG2 VAL 37 HG23 VAL 37 143.242 0.195 -8.853 294 H ILE 38 HN ILE 38 143.099 -3.804 -6.366 295 HA ILE 38 HA ILE 38 141.643 -3.795 -3.982 296 HB ILE 38 HB ILE 38 139.725 -4.008 -5.489 297 1HG1 ILE 38 HG12 ILE 38 140.264 -6.273 -3.612 298 2HG1 ILE 38 HG11 ILE 38 139.350 -4.805 -3.310 299 1HG2 ILE 38 HG21 ILE 38 139.777 -5.215 -7.300 300 2HG2 ILE 38 HG22 ILE 38 139.764 -6.666 -6.301 301 3HG2 ILE 38 HG23 ILE 38 141.297 -5.947 -6.794 302 1HD1 ILE 38 HD11 ILE 38 138.516 -7.024 -5.161 303 2HD1 ILE 38 HD12 ILE 38 137.594 -5.565 -4.796 304 3HD1 ILE 38 HD13 ILE 38 137.906 -6.752 -3.529 305 H LYS 39 HN LYS 39 141.098 -6.803 -5.055 306 HA LYS 39 HA LYS 39 142.087 -8.842 -4.877 307 1HB LYS 39 HB2 LYS 39 144.284 -7.094 -5.648 308 2HB LYS 39 HB1 LYS 39 144.819 -8.474 -4.701 309 1HG LYS 39 HG2 LYS 39 144.812 -8.767 -7.203 310 2HG LYS 39 HG1 LYS 39 143.981 -10.011 -6.268 311 1HD LYS 39 HD2 LYS 39 142.046 -9.589 -7.291 312 2HD LYS 39 HD1 LYS 39 142.182 -7.860 -6.965 313 1HE LYS 39 HE2 LYS 39 144.003 -8.120 -8.932 314 2HE LYS 39 HE1 LYS 39 142.880 -9.400 -9.382 315 1HZ LYS 39 HZ1 LYS 39 141.079 -7.756 -9.299 316 2HZ LYS 39 HZ2 LYS 39 142.255 -7.353 -10.446 317 3HZ LYS 39 HZ3 LYS 39 142.206 -6.540 -8.964 318 HA PRO 40 HA PRO 40 142.788 -9.851 -0.673 319 1HB PRO 40 HB2 PRO 40 145.221 -11.377 -1.456 320 2HB PRO 40 HB1 PRO 40 143.803 -11.909 -0.546 321 1HG PRO 40 HG2 PRO 40 144.137 -12.643 -3.082 322 2HG PRO 40 HG1 PRO 40 142.529 -12.225 -2.459 323 1HD PRO 40 HD2 PRO 40 144.369 -10.627 -4.187 324 2HD PRO 40 HD1 PRO 40 142.598 -10.751 -4.234 325 H CYS 41 HN CYS 41 143.408 -7.659 -0.174 326 HA CYS 41 HA CYS 41 146.224 -7.000 -0.093 327 1HB CYS 41 HB2 CYS 41 145.412 -4.858 0.890 328 2HB CYS 41 HB1 CYS 41 144.675 -5.245 -0.659 329 HG CYS 41 HG CYS 41 142.751 -4.496 0.832 330 H MET 42 HN MET 42 146.543 -5.603 2.212 331 HA MET 42 HA MET 42 145.667 -6.891 4.560 332 1HB MET 42 HB2 MET 42 147.387 -8.519 3.312 333 2HB MET 42 HB1 MET 42 148.549 -7.509 4.162 334 1HG MET 42 HG2 MET 42 147.620 -8.093 6.278 335 2HG MET 42 HG1 MET 42 146.264 -8.920 5.513 336 1HE MET 42 HE1 MET 42 147.907 -11.505 3.455 337 2HE MET 42 HE2 MET 42 146.451 -10.631 3.932 338 3HE MET 42 HE3 MET 42 146.924 -12.093 4.797 339 H LYS 43 HN LYS 43 145.806 -5.363 6.058 340 HA LYS 43 HA LYS 43 147.801 -3.240 5.730 341 1HB LYS 43 HB2 LYS 43 145.460 -2.527 5.836 342 2HB LYS 43 HB1 LYS 43 145.279 -3.316 7.398 343 1HG LYS 43 HG2 LYS 43 147.485 -1.563 7.598 344 2HG LYS 43 HG1 LYS 43 146.176 -0.678 6.813 345 1HD LYS 43 HD2 LYS 43 144.670 -1.507 8.664 346 2HD LYS 43 HD1 LYS 43 146.127 -2.072 9.481 347 1HE LYS 43 HE2 LYS 43 146.162 0.723 8.534 348 2HE LYS 43 HE1 LYS 43 145.054 0.365 9.859 349 1HZ LYS 43 HZ1 LYS 43 147.956 0.401 9.828 350 2HZ LYS 43 HZ2 LYS 43 147.254 -0.862 10.707 351 3HZ LYS 43 HZ3 LYS 43 146.881 0.742 11.090 352 H LYS 44 HN LYS 44 149.210 -2.660 7.347 353 HA LYS 44 HA LYS 44 149.320 -4.460 9.677 354 1HB LYS 44 HB2 LYS 44 151.381 -3.671 7.730 355 2HB LYS 44 HB1 LYS 44 151.888 -3.558 9.409 356 1HG LYS 44 HG2 LYS 44 152.281 -5.732 9.409 357 2HG LYS 44 HG1 LYS 44 150.563 -6.025 9.139 358 1HD LYS 44 HD2 LYS 44 151.285 -5.438 6.635 359 2HD LYS 44 HD1 LYS 44 152.826 -6.061 7.225 360 1HE LYS 44 HE2 LYS 44 152.044 -8.179 7.432 361 2HE LYS 44 HE1 LYS 44 150.425 -7.651 7.885 362 1HZ LYS 44 HZ1 LYS 44 149.878 -7.248 5.641 363 2HZ LYS 44 HZ2 LYS 44 150.623 -8.766 5.668 364 3HZ LYS 44 HZ3 LYS 44 151.482 -7.413 5.127 365 H THR 45 HN THR 45 150.963 -3.355 11.349 366 HA THR 45 HA THR 45 150.833 -0.540 11.526 367 HB THR 45 HB THR 45 149.320 -1.824 13.750 368 HG1 THR 45 HG1 THR 45 147.392 -1.556 12.584 369 1HG2 THR 45 HG21 THR 45 149.915 0.571 13.833 370 2HG2 THR 45 HG22 THR 45 148.178 0.274 13.877 371 3HG2 THR 45 HG23 THR 45 148.941 0.828 12.387 372 H ILE 46 HN ILE 46 152.051 0.309 13.259 373 HA ILE 46 HA ILE 46 153.484 -1.690 14.876 374 HB ILE 46 HB ILE 46 154.918 0.691 13.733 375 1HG1 ILE 46 HG12 ILE 46 155.932 -1.082 12.147 376 2HG1 ILE 46 HG11 ILE 46 154.481 -2.018 12.497 377 1HG2 ILE 46 HG21 ILE 46 155.669 -0.788 15.752 378 2HG2 ILE 46 HG22 ILE 46 156.839 -0.289 14.532 379 3HG2 ILE 46 HG23 ILE 46 156.159 -1.913 14.489 380 1HD1 ILE 46 HD11 ILE 46 154.698 -0.300 10.454 381 2HD1 ILE 46 HD12 ILE 46 154.046 0.777 11.688 382 3HD1 ILE 46 HD13 ILE 46 153.170 -0.689 11.245 383 H TYR 47 HN TYR 47 152.093 -1.041 16.598 384 HA TYR 47 HA TYR 47 152.646 1.662 17.610 385 1HB TYR 47 HB2 TYR 47 150.591 1.475 18.911 386 2HB TYR 47 HB1 TYR 47 150.257 1.160 17.212 387 HD1 TYR 47 HD1 TYR 47 149.913 -1.205 16.452 388 HD2 TYR 47 HD2 TYR 47 150.143 -0.155 20.569 389 HE1 TYR 47 HE1 TYR 47 148.856 -3.345 17.052 390 HE2 TYR 47 HE2 TYR 47 149.089 -2.291 21.179 391 HH TYR 47 HH TYR 47 147.371 -4.017 19.583 392 H GLU 48 HN GLU 48 154.236 1.663 19.070 393 HA GLU 48 HA GLU 48 155.366 -0.461 20.348 394 1HB GLU 48 HB2 GLU 48 156.332 1.782 20.355 395 2HB GLU 48 HB1 GLU 48 155.081 2.318 21.466 396 1HG GLU 48 HG2 GLU 48 156.832 1.949 22.892 397 2HG GLU 48 HG1 GLU 48 155.987 0.407 22.979 398 H ASN 49 HN ASN 49 153.399 1.763 22.185 399 HA ASN 49 HA ASN 49 151.597 -0.156 23.208 400 1HB ASN 49 HB2 ASN 49 154.069 -0.404 24.379 401 2HB ASN 49 HB1 ASN 49 153.246 0.683 25.493 402 1HD2 ASN 49 HD21 ASN 49 152.350 -2.172 23.579 403 2HD2 ASN 49 HD22 ASN 49 151.613 -3.027 24.887 404 H GLU 50 HN GLU 50 153.389 2.694 24.368 405 HA GLU 50 HA GLU 50 150.845 3.944 25.113 406 1HB GLU 50 HB2 GLU 50 153.088 3.781 26.563 407 2HB GLU 50 HB1 GLU 50 153.454 5.259 25.685 408 1HG GLU 50 HG2 GLU 50 152.340 6.310 27.291 409 2HG GLU 50 HG1 GLU 50 150.878 5.677 26.535 410 H ARG 51 HN ARG 51 151.499 3.673 22.369 411 HA ARG 51 HA ARG 51 151.468 4.868 20.440 412 1HB ARG 51 HB2 ARG 51 150.842 7.103 22.371 413 2HB ARG 51 HB1 ARG 51 150.870 7.324 20.628 414 1HG ARG 51 HG2 ARG 51 148.858 6.402 20.369 415 2HG ARG 51 HG1 ARG 51 149.231 5.065 21.460 416 1HD ARG 51 HD2 ARG 51 147.535 6.154 22.590 417 2HD ARG 51 HD1 ARG 51 148.976 6.859 23.322 418 HE ARG 51 HE ARG 51 148.329 8.880 22.497 419 1HH1 ARG 51 HH11 ARG 51 146.744 6.388 20.637 420 2HH1 ARG 51 HH12 ARG 51 145.791 7.506 19.720 421 1HH2 ARG 51 HH21 ARG 51 147.074 10.351 21.292 422 2HH2 ARG 51 HH22 ARG 51 145.979 9.754 20.091 423 H GLU 52 HN GLU 52 153.932 4.223 21.142 424 HA GLU 52 HA GLU 52 155.592 6.585 21.297 425 1HB GLU 52 HB2 GLU 52 156.483 3.729 20.977 426 2HB GLU 52 HB1 GLU 52 157.469 5.092 21.480 427 1HG GLU 52 HG2 GLU 52 155.571 5.196 23.369 428 2HG GLU 52 HG1 GLU 52 155.552 3.468 23.019 429 H ILE 53 HN ILE 53 154.571 4.286 18.929 430 HA ILE 53 HA ILE 53 155.829 5.936 16.898 431 HB ILE 53 HB ILE 53 156.510 3.949 15.572 432 1HG1 ILE 53 HG12 ILE 53 156.281 2.400 18.147 433 2HG1 ILE 53 HG11 ILE 53 155.022 2.362 16.923 434 1HG2 ILE 53 HG21 ILE 53 158.097 5.270 16.896 435 2HG2 ILE 53 HG22 ILE 53 158.565 3.574 16.765 436 3HG2 ILE 53 HG23 ILE 53 157.842 4.178 18.256 437 1HD1 ILE 53 HD11 ILE 53 156.506 1.430 15.319 438 2HD1 ILE 53 HD12 ILE 53 156.616 0.476 16.801 439 3HD1 ILE 53 HD13 ILE 53 157.882 1.637 16.400 440 H LYS 54 HN LYS 54 153.634 3.269 17.425 441 HA LYS 54 HA LYS 54 151.776 2.561 16.264 442 1HB LYS 54 HB2 LYS 54 151.201 4.678 17.672 443 2HB LYS 54 HB1 LYS 54 151.020 5.449 16.103 444 1HG LYS 54 HG2 LYS 54 149.123 4.320 15.610 445 2HG LYS 54 HG1 LYS 54 149.621 2.875 16.494 446 1HD LYS 54 HD2 LYS 54 149.346 4.833 18.450 447 2HD LYS 54 HD1 LYS 54 147.987 5.107 17.359 448 1HE LYS 54 HE2 LYS 54 147.806 2.462 17.551 449 2HE LYS 54 HE1 LYS 54 148.601 2.778 19.094 450 1HZ LYS 54 HZ1 LYS 54 145.903 3.403 18.238 451 2HZ LYS 54 HZ2 LYS 54 146.674 4.624 19.118 452 3HZ LYS 54 HZ3 LYS 54 146.502 3.079 19.788 453 H GLY 55 HN GLY 55 153.567 2.388 14.418 454 1HA GLY 55 HA2 GLY 55 153.058 4.122 12.148 455 2HA GLY 55 HA1 GLY 55 154.110 2.711 12.163 456 H TYR 56 HN TYR 56 152.458 3.178 10.003 457 HA TYR 56 HA TYR 56 150.708 0.851 10.236 458 1HB TYR 56 HB2 TYR 56 149.114 2.360 8.669 459 2HB TYR 56 HB1 TYR 56 148.928 2.246 10.414 460 HD1 TYR 56 HD1 TYR 56 149.840 4.068 11.865 461 HD2 TYR 56 HD2 TYR 56 149.708 4.408 7.626 462 HE1 TYR 56 HE1 TYR 56 150.103 6.504 12.058 463 HE2 TYR 56 HE2 TYR 56 149.975 6.845 7.807 464 HH TYR 56 HH TYR 56 150.874 8.386 10.705 465 H GLU 57 HN GLU 57 151.328 -0.519 8.725 466 HA GLU 57 HA GLU 57 152.395 0.552 6.206 467 1HB GLU 57 HB2 GLU 57 152.681 -2.307 7.084 468 2HB GLU 57 HB1 GLU 57 153.681 -1.394 5.962 469 1HG GLU 57 HG2 GLU 57 154.409 0.003 7.924 470 2HG GLU 57 HG1 GLU 57 153.600 -1.176 8.955 471 H TYR 58 HN TYR 58 150.900 0.636 4.666 472 HA TYR 58 HA TYR 58 148.762 -1.365 4.620 473 1HB TYR 58 HB2 TYR 58 148.774 1.403 4.255 474 2HB TYR 58 HB1 TYR 58 148.530 0.743 2.643 475 HD1 TYR 58 HD1 TYR 58 146.886 -1.610 3.111 476 HD2 TYR 58 HD2 TYR 58 146.737 2.208 4.983 477 HE1 TYR 58 HE1 TYR 58 144.502 -1.954 3.609 478 HE2 TYR 58 HE2 TYR 58 144.354 1.875 5.487 479 HH TYR 58 HH TYR 58 142.495 -0.548 4.067 480 H GLN 59 HN GLN 59 148.814 -2.983 3.225 481 HA GLN 59 HA GLN 59 150.406 -2.686 0.761 482 1HB GLN 59 HB2 GLN 59 151.325 -4.279 2.533 483 2HB GLN 59 HB1 GLN 59 149.936 -5.301 2.190 484 1HG GLN 59 HG2 GLN 59 151.346 -4.506 -0.218 485 2HG GLN 59 HG1 GLN 59 152.379 -5.369 0.920 486 1HE2 GLN 59 HE21 GLN 59 152.054 -6.627 -1.329 487 2HE2 GLN 59 HE22 GLN 59 150.926 -7.931 -1.209 488 H LEU 60 HN LEU 60 149.090 -2.604 -0.950 489 HA LEU 60 HA LEU 60 146.717 -4.285 -0.939 490 1HB LEU 60 HB2 LEU 60 146.659 -1.572 -0.842 491 2HB LEU 60 HB1 LEU 60 146.569 -1.852 -2.569 492 HG LEU 60 HG LEU 60 144.706 -3.618 -1.562 493 1HD1 LEU 60 HD11 LEU 60 143.569 -1.373 -0.262 494 2HD1 LEU 60 HD12 LEU 60 145.158 -1.657 0.445 495 3HD1 LEU 60 HD13 LEU 60 143.963 -2.950 0.415 496 1HD2 LEU 60 HD21 LEU 60 143.062 -2.076 -2.510 497 2HD2 LEU 60 HD22 LEU 60 144.467 -2.254 -3.558 498 3HD2 LEU 60 HD23 LEU 60 144.287 -0.809 -2.570 499 H TYR 61 HN TYR 61 145.985 -5.110 -2.947 500 HA TYR 61 HA TYR 61 148.119 -5.280 -4.962 501 1HB TYR 61 HB2 TYR 61 145.957 -7.121 -4.057 502 2HB TYR 61 HB1 TYR 61 146.433 -7.197 -5.751 503 HD1 TYR 61 HD1 TYR 61 148.691 -7.923 -6.375 504 HD2 TYR 61 HD2 TYR 61 147.434 -7.876 -2.310 505 HE1 TYR 61 HE1 TYR 61 150.603 -9.349 -5.772 506 HE2 TYR 61 HE2 TYR 61 149.342 -9.300 -1.696 507 HH TYR 61 HH TYR 61 150.888 -10.835 -2.681 508 H VAL 62 HN VAL 62 147.493 -3.146 -5.691 509 HA VAL 62 HA VAL 62 144.905 -2.663 -6.751 510 HB VAL 62 HB VAL 62 146.111 -0.771 -6.016 511 1HG1 VAL 62 HG11 VAL 62 148.316 -1.683 -7.843 512 2HG1 VAL 62 HG12 VAL 62 148.358 -1.511 -6.089 513 3HG1 VAL 62 HG13 VAL 62 148.258 -0.080 -7.112 514 1HG2 VAL 62 HG21 VAL 62 145.641 0.659 -7.712 515 2HG2 VAL 62 HG22 VAL 62 144.884 -0.785 -8.382 516 3HG2 VAL 62 HG23 VAL 62 146.494 -0.307 -8.914 517 H TYR 63 HN TYR 63 144.255 -4.007 -8.323 518 HA TYR 63 HA TYR 63 146.002 -4.656 -10.556 519 1HB TYR 63 HB2 TYR 63 144.325 -6.278 -9.556 520 2HB TYR 63 HB1 TYR 63 143.057 -5.286 -10.265 521 HD1 TYR 63 HD1 TYR 63 144.876 -8.168 -10.724 522 HD2 TYR 63 HD2 TYR 63 143.563 -4.759 -12.900 523 HE1 TYR 63 HE1 TYR 63 145.079 -9.436 -12.821 524 HE2 TYR 63 HE2 TYR 63 143.763 -6.014 -15.001 525 HH TYR 63 HH TYR 63 145.114 -8.030 -15.821 526 H ALA 64 HN ALA 64 146.388 -2.686 -11.604 527 HA ALA 64 HA ALA 64 143.998 -1.211 -12.503 528 1HB ALA 64 HB1 ALA 64 146.888 -0.378 -12.631 529 2HB ALA 64 HB2 ALA 64 145.743 0.075 -11.368 530 3HB ALA 64 HB3 ALA 64 145.491 0.622 -13.024 531 H SER 65 HN SER 65 144.731 0.034 -14.729 532 HA SER 65 HA SER 65 144.193 -1.630 -16.803 533 1HB SER 65 HB2 SER 65 144.635 0.994 -16.679 534 2HB SER 65 HB1 SER 65 146.192 0.516 -17.356 535 HG SER 65 HG SER 65 143.733 -0.347 -18.454 536 H ASP 66 HN ASP 66 147.300 -1.072 -15.297 537 HA ASP 66 HA ASP 66 148.920 -2.347 -17.165 538 1HB ASP 66 HB2 ASP 66 149.707 -0.924 -15.245 539 2HB ASP 66 HB1 ASP 66 149.373 -2.293 -14.191 540 H LYS 67 HN LYS 67 147.899 -3.584 -14.057 541 HA LYS 67 HA LYS 67 146.668 -5.918 -14.727 542 1HB LYS 67 HB2 LYS 67 149.552 -6.083 -15.223 543 2HB LYS 67 HB1 LYS 67 148.955 -7.364 -14.176 544 1HG LYS 67 HG2 LYS 67 147.086 -7.355 -16.149 545 2HG LYS 67 HG1 LYS 67 148.547 -6.919 -17.034 546 1HD LYS 67 HD2 LYS 67 148.975 -9.113 -17.112 547 2HD LYS 67 HD1 LYS 67 149.398 -8.970 -15.405 548 1HE LYS 67 HE2 LYS 67 147.814 -10.501 -15.045 549 2HE LYS 67 HE1 LYS 67 146.662 -9.200 -15.338 550 1HZ LYS 67 HZ1 LYS 67 147.113 -9.958 -17.824 551 2HZ LYS 67 HZ2 LYS 67 145.920 -10.674 -16.863 552 3HZ LYS 67 HZ3 LYS 67 147.420 -11.433 -17.053 553 H LEU 68 HN LEU 68 147.535 -7.803 -12.962 554 HA LEU 68 HA LEU 68 146.711 -6.795 -10.470 555 1HB LEU 68 HB2 LEU 68 147.475 -8.952 -9.554 556 2HB LEU 68 HB1 LEU 68 146.507 -9.157 -11.000 557 HG LEU 68 HG LEU 68 149.347 -9.011 -11.614 558 1HD1 LEU 68 HD11 LEU 68 148.441 -10.803 -9.447 559 2HD1 LEU 68 HD12 LEU 68 150.036 -10.122 -9.769 560 3HD1 LEU 68 HD13 LEU 68 149.470 -11.515 -10.692 561 1HD2 LEU 68 HD21 LEU 68 147.216 -11.090 -12.098 562 2HD2 LEU 68 HD22 LEU 68 148.813 -11.062 -12.846 563 3HD2 LEU 68 HD23 LEU 68 147.657 -9.774 -13.185 564 H PHE 69 HN PHE 69 148.082 -4.899 -10.356 565 HA PHE 69 HA PHE 69 150.852 -5.479 -9.606 566 1HB PHE 69 HB2 PHE 69 151.457 -3.562 -10.651 567 2HB PHE 69 HB1 PHE 69 149.942 -3.809 -11.496 568 HD1 PHE 69 HD1 PHE 69 148.340 -2.195 -11.522 569 HD2 PHE 69 HD2 PHE 69 151.430 -2.009 -8.613 570 HE1 PHE 69 HE1 PHE 69 147.600 0.051 -10.892 571 HE2 PHE 69 HE2 PHE 69 150.688 0.242 -7.971 572 HZ PHE 69 HZ PHE 69 148.767 1.280 -9.109 573 H ARG 70 HN ARG 70 151.678 -4.875 -7.654 574 HA ARG 70 HA ARG 70 149.722 -4.136 -5.661 575 1HB ARG 70 HB2 ARG 70 150.794 -6.236 -5.246 576 2HB ARG 70 HB1 ARG 70 152.383 -5.516 -5.441 577 1HG ARG 70 HG2 ARG 70 150.820 -4.229 -3.356 578 2HG ARG 70 HG1 ARG 70 151.072 -5.949 -3.064 579 1HD ARG 70 HD2 ARG 70 153.211 -3.896 -3.620 580 2HD ARG 70 HD1 ARG 70 152.849 -4.627 -2.058 581 HE ARG 70 HE ARG 70 153.745 -6.672 -2.834 582 1HH1 ARG 70 HH11 ARG 70 154.104 -4.077 -5.154 583 2HH1 ARG 70 HH12 ARG 70 155.351 -4.884 -6.040 584 1HH2 ARG 70 HH21 ARG 70 155.382 -7.725 -4.009 585 2HH2 ARG 70 HH22 ARG 70 156.074 -6.950 -5.395 586 H ALA 71 HN ALA 71 150.048 -2.596 -4.115 587 HA ALA 71 HA ALA 71 152.346 -0.798 -4.465 588 1HB ALA 71 HB1 ALA 71 150.346 0.851 -3.539 589 2HB ALA 71 HB2 ALA 71 149.502 -0.183 -4.691 590 3HB ALA 71 HB3 ALA 71 150.904 0.753 -5.210 591 H ASP 72 HN ASP 72 153.107 0.192 -2.477 592 HA ASP 72 HA ASP 72 151.798 -0.838 -0.053 593 1HB ASP 72 HB2 ASP 72 154.003 -2.087 -1.043 594 2HB ASP 72 HB1 ASP 72 154.749 -0.901 0.025 595 H ILE 73 HN ILE 73 152.038 0.380 1.766 596 HA ILE 73 HA ILE 73 153.661 2.804 1.628 597 HB ILE 73 HB ILE 73 151.660 4.010 2.735 598 1HG1 ILE 73 HG12 ILE 73 150.370 1.771 2.774 599 2HG1 ILE 73 HG11 ILE 73 149.498 3.230 2.319 600 1HG2 ILE 73 HG21 ILE 73 150.743 4.059 0.115 601 2HG2 ILE 73 HG22 ILE 73 152.447 3.625 -0.015 602 3HG2 ILE 73 HG23 ILE 73 151.972 5.093 0.830 603 1HD1 ILE 73 HD11 ILE 73 150.700 1.777 0.076 604 2HD1 ILE 73 HD12 ILE 73 149.094 2.482 0.248 605 3HD1 ILE 73 HD13 ILE 73 149.439 0.899 0.943 606 H SER 74 HN SER 74 154.752 3.061 3.429 607 HA SER 74 HA SER 74 153.691 1.911 5.923 608 1HB SER 74 HB2 SER 74 155.887 1.150 6.559 609 2HB SER 74 HB1 SER 74 155.550 0.527 4.942 610 HG SER 74 HG SER 74 156.852 2.146 4.087 611 H GLU 75 HN GLU 75 154.016 3.030 7.781 612 HA GLU 75 HA GLU 75 155.531 5.522 7.653 613 1HB GLU 75 HB2 GLU 75 153.532 6.504 7.082 614 2HB GLU 75 HB1 GLU 75 152.573 5.255 7.855 615 1HG GLU 75 HG2 GLU 75 152.535 6.307 9.840 616 2HG GLU 75 HG1 GLU 75 154.148 6.989 9.638 617 H ASP 76 HN ASP 76 156.826 5.398 9.499 618 HA ASP 76 HA ASP 76 155.522 4.588 11.954 619 1HB ASP 76 HB2 ASP 76 158.110 3.450 10.927 620 2HB ASP 76 HB1 ASP 76 157.574 3.284 12.595 621 H TYR 77 HN TYR 77 157.332 4.779 13.790 622 HA TYR 77 HA TYR 77 158.806 7.283 13.414 623 1HB TYR 77 HB2 TYR 77 156.530 7.618 14.572 624 2HB TYR 77 HB1 TYR 77 157.239 6.753 15.932 625 HD1 TYR 77 HD1 TYR 77 158.297 7.973 17.582 626 HD2 TYR 77 HD2 TYR 77 157.983 9.639 13.680 627 HE1 TYR 77 HE1 TYR 77 159.299 10.064 18.401 628 HE2 TYR 77 HE2 TYR 77 158.984 11.736 14.488 629 HH TYR 77 HH TYR 77 160.431 11.999 17.607 630 H LYS 78 HN LYS 78 160.383 7.610 15.259 631 HA LYS 78 HA LYS 78 162.005 6.858 16.703 632 1HB LYS 78 HB2 LYS 78 160.039 5.226 17.417 633 2HB LYS 78 HB1 LYS 78 161.024 4.035 16.580 634 1HG LYS 78 HG2 LYS 78 162.428 3.881 18.292 635 2HG LYS 78 HG1 LYS 78 162.625 5.634 18.370 636 1HD LYS 78 HD2 LYS 78 160.042 4.669 19.361 637 2HD LYS 78 HD1 LYS 78 161.431 4.099 20.289 638 1HE LYS 78 HE2 LYS 78 162.023 6.213 20.958 639 2HE LYS 78 HE1 LYS 78 161.287 6.981 19.551 640 1HZ LYS 78 HZ1 LYS 78 159.148 5.936 20.772 641 2HZ LYS 78 HZ2 LYS 78 159.694 7.518 21.012 642 3HZ LYS 78 HZ3 LYS 78 160.118 6.303 22.109 643 H THR 79 HN THR 79 163.004 7.338 14.568 644 HA THR 79 HA THR 79 164.878 6.835 13.311 645 HB THR 79 HB THR 79 164.376 3.883 13.531 646 HG1 THR 79 HG1 THR 79 164.554 4.101 15.611 647 1HG2 THR 79 HG21 THR 79 166.853 5.564 13.275 648 2HG2 THR 79 HG22 THR 79 166.166 4.465 12.077 649 3HG2 THR 79 HG23 THR 79 166.859 3.824 13.568 650 H ARG 80 HN ARG 80 161.700 5.992 12.935 651 HA ARG 80 HA ARG 80 161.904 5.135 10.193 652 1HB ARG 80 HB2 ARG 80 159.449 5.496 11.880 653 2HB ARG 80 HB1 ARG 80 159.543 4.669 10.333 654 1HG ARG 80 HG2 ARG 80 161.284 3.664 12.508 655 2HG ARG 80 HG1 ARG 80 159.550 3.382 12.663 656 1HD ARG 80 HD2 ARG 80 159.499 1.912 10.950 657 2HD ARG 80 HD1 ARG 80 160.703 2.799 10.017 658 HE ARG 80 HE ARG 80 161.183 0.668 11.912 659 1HH1 ARG 80 HH11 ARG 80 162.570 3.312 10.102 660 2HH1 ARG 80 HH12 ARG 80 164.186 2.699 10.208 661 1HH2 ARG 80 HH21 ARG 80 163.308 -0.136 12.052 662 2HH2 ARG 80 HH22 ARG 80 164.604 0.743 11.314 663 H GLY 81 HN GLY 81 159.655 6.121 9.131 664 1HA GLY 81 HA2 GLY 81 159.533 8.988 9.498 665 2HA GLY 81 HA1 GLY 81 160.199 8.455 7.956 666 H ARG 82 HN ARG 82 158.907 7.430 6.475 667 HA ARG 82 HA ARG 82 156.596 6.254 6.400 668 1HB ARG 82 HB2 ARG 82 155.266 7.534 7.770 669 2HB ARG 82 HB1 ARG 82 156.071 9.032 7.333 670 1HG ARG 82 HG2 ARG 82 154.438 7.670 5.254 671 2HG ARG 82 HG1 ARG 82 153.603 8.506 6.562 672 1HD ARG 82 HD2 ARG 82 154.409 10.574 5.938 673 2HD ARG 82 HD1 ARG 82 155.812 9.894 5.117 674 HE ARG 82 HE ARG 82 154.564 9.708 3.203 675 1HH1 ARG 82 HH11 ARG 82 152.425 10.274 5.903 676 2HH1 ARG 82 HH12 ARG 82 151.029 10.510 4.907 677 1HH2 ARG 82 HH21 ARG 82 152.729 10.019 1.892 678 2HH2 ARG 82 HH22 ARG 82 151.200 10.365 2.629 679 H LYS 83 HN LYS 83 155.803 6.063 4.326 680 HA LYS 83 HA LYS 83 155.982 8.047 2.366 681 1HB LYS 83 HB2 LYS 83 157.856 7.085 0.995 682 2HB LYS 83 HB1 LYS 83 158.340 7.921 2.465 683 1HG LYS 83 HG2 LYS 83 159.084 6.026 3.466 684 2HG LYS 83 HG1 LYS 83 157.906 4.998 2.647 685 1HD LYS 83 HD2 LYS 83 159.779 4.342 1.529 686 2HD LYS 83 HD1 LYS 83 159.333 5.722 0.524 687 1HE LYS 83 HE2 LYS 83 161.379 6.516 0.903 688 2HE LYS 83 HE1 LYS 83 160.853 6.836 2.554 689 1HZ LYS 83 HZ1 LYS 83 161.509 4.306 2.809 690 2HZ LYS 83 HZ2 LYS 83 162.648 5.545 2.981 691 3HZ LYS 83 HZ3 LYS 83 162.542 4.690 1.526 692 H LEU 84 HN LEU 84 155.316 7.482 0.326 693 HA LEU 84 HA LEU 84 154.039 4.837 0.110 694 1HB LEU 84 HB2 LEU 84 153.302 6.908 -1.846 695 2HB LEU 84 HB1 LEU 84 152.278 5.820 -0.938 696 HG LEU 84 HG LEU 84 153.376 8.482 -0.046 697 1HD1 LEU 84 HD11 LEU 84 150.538 7.959 0.256 698 2HD1 LEU 84 HD12 LEU 84 151.076 7.816 -1.417 699 3HD1 LEU 84 HD13 LEU 84 151.368 9.306 -0.520 700 1HD2 LEU 84 HD21 LEU 84 152.980 8.040 2.115 701 2HD2 LEU 84 HD22 LEU 84 153.107 6.348 1.642 702 3HD2 LEU 84 HD23 LEU 84 151.524 7.112 1.760 703 H LEU 85 HN LEU 85 154.698 3.474 -1.564 704 HA LEU 85 HA LEU 85 156.223 4.642 -3.750 705 1HB LEU 85 HB2 LEU 85 157.954 2.685 -3.224 706 2HB LEU 85 HB1 LEU 85 158.123 4.315 -2.599 707 HG LEU 85 HG LEU 85 156.713 2.175 -1.020 708 1HD1 LEU 85 HD11 LEU 85 158.766 1.140 -1.263 709 2HD1 LEU 85 HD12 LEU 85 159.009 2.106 0.193 710 3HD1 LEU 85 HD13 LEU 85 159.644 2.666 -1.354 711 1HD2 LEU 85 HD21 LEU 85 157.623 4.944 -0.587 712 2HD2 LEU 85 HD22 LEU 85 157.954 3.822 0.732 713 3HD2 LEU 85 HD23 LEU 85 156.301 4.049 0.165 714 H ARG 86 HN ARG 86 156.299 1.265 -2.665 715 HA ARG 86 HA ARG 86 156.253 -0.148 -4.826 716 1HB ARG 86 HB2 ARG 86 155.148 -0.603 -2.267 717 2HB ARG 86 HB1 ARG 86 153.984 -1.207 -3.437 718 1HG ARG 86 HG2 ARG 86 155.298 -3.051 -3.070 719 2HG ARG 86 HG1 ARG 86 156.032 -2.361 -4.517 720 1HD ARG 86 HD2 ARG 86 157.664 -1.189 -3.018 721 2HD ARG 86 HD1 ARG 86 157.001 -2.121 -1.675 722 HE ARG 86 HE ARG 86 157.880 -3.718 -3.908 723 1HH1 ARG 86 HH11 ARG 86 158.830 -2.197 -0.914 724 2HH1 ARG 86 HH12 ARG 86 160.155 -3.276 -0.642 725 1HH2 ARG 86 HH21 ARG 86 159.621 -5.137 -3.551 726 2HH2 ARG 86 HH22 ARG 86 160.605 -4.945 -2.138 727 H PHE 87 HN PHE 87 155.227 -0.500 -6.665 728 HA PHE 87 HA PHE 87 152.431 0.038 -7.032 729 1HB PHE 87 HB2 PHE 87 154.043 2.228 -7.307 730 2HB PHE 87 HB1 PHE 87 154.020 1.611 -8.955 731 HD1 PHE 87 HD1 PHE 87 151.802 2.633 -6.162 732 HD2 PHE 87 HD2 PHE 87 152.227 2.066 -10.357 733 HE1 PHE 87 HE1 PHE 87 149.626 3.716 -6.526 734 HE2 PHE 87 HE2 PHE 87 150.049 3.148 -10.728 735 HZ PHE 87 HZ PHE 87 148.745 3.977 -8.810 736 H ASN 88 HN ASN 88 153.805 -2.300 -7.302 737 HA ASN 88 HA ASN 88 153.038 -3.360 -9.686 738 1HB ASN 88 HB2 ASN 88 154.547 -1.889 -10.889 739 2HB ASN 88 HB1 ASN 88 155.898 -2.380 -9.872 740 1HD2 ASN 88 HD21 ASN 88 153.605 -3.481 -12.294 741 2HD2 ASN 88 HD22 ASN 88 154.588 -4.758 -12.913 742 H GLY 89 HN GLY 89 153.045 -5.496 -9.368 743 1HA GLY 89 HA2 GLY 89 155.160 -6.617 -7.635 744 2HA GLY 89 HA1 GLY 89 153.477 -7.096 -7.484 745 HA PRO 90 HA PRO 90 156.158 -9.383 -10.958 746 1HB PRO 90 HB2 PRO 90 156.598 -11.330 -8.743 747 2HB PRO 90 HB1 PRO 90 157.669 -10.879 -10.074 748 1HG PRO 90 HG2 PRO 90 158.112 -9.970 -7.613 749 2HG PRO 90 HG1 PRO 90 158.366 -8.930 -9.027 750 1HD PRO 90 HD2 PRO 90 156.131 -8.932 -7.050 751 2HD PRO 90 HD1 PRO 90 156.899 -7.566 -7.885 752 H VAL 91 HN VAL 91 154.494 -10.974 -8.226 753 HA VAL 91 HA VAL 91 152.283 -11.741 -9.896 754 HB VAL 91 HB VAL 91 153.916 -13.475 -10.507 755 1HG1 VAL 91 HG11 VAL 91 155.338 -14.249 -8.990 756 2HG1 VAL 91 HG12 VAL 91 153.999 -15.087 -8.206 757 3HG1 VAL 91 HG13 VAL 91 154.445 -13.460 -7.691 758 1HG2 VAL 91 HG21 VAL 91 151.953 -14.523 -10.790 759 2HG2 VAL 91 HG22 VAL 91 151.340 -14.006 -9.220 760 3HG2 VAL 91 HG23 VAL 91 152.395 -15.415 -9.335 Start of MODEL 16 1 1H GLY 1 HT1 GLY 1 152.267 -4.470 15.358 2 2H GLY 1 HT2 GLY 1 153.445 -5.046 14.290 3 3H GLY 1 HT3 GLY 1 152.763 -6.086 15.438 4 1HA GLY 1 HA1 GLY 1 151.473 -4.925 13.038 5 2HA GLY 1 HA2 GLY 1 151.752 -6.625 13.390 6 H GLU 2 HN GLU 2 149.605 -4.000 13.678 7 HA GLU 2 HA GLU 2 147.760 -5.690 15.230 8 1HB GLU 2 HB2 GLU 2 148.867 -3.480 16.297 9 2HB GLU 2 HB1 GLU 2 147.484 -2.750 15.494 10 1HG GLU 2 HG2 GLU 2 146.290 -4.827 16.731 11 2HG GLU 2 HG1 GLU 2 147.602 -4.489 17.858 12 H TRP 3 HN TRP 3 145.455 -5.053 14.935 13 HA TRP 3 HA TRP 3 143.635 -4.509 13.671 14 1HB TRP 3 HB2 TRP 3 145.519 -2.551 12.907 15 2HB TRP 3 HB1 TRP 3 144.821 -3.168 11.415 16 HD1 TRP 3 HD1 TRP 3 141.839 -3.627 12.444 17 HE1 TRP 3 HE1 TRP 3 140.344 -1.586 12.923 18 HE3 TRP 3 HE3 TRP 3 145.475 -0.091 13.090 19 HZ2 TRP 3 HZ2 TRP 3 140.665 1.159 13.499 20 HZ3 TRP 3 HZ3 TRP 3 144.796 2.218 13.604 21 HH2 TRP 3 HH2 TRP 3 142.441 2.828 13.803 22 H GLU 4 HN GLU 4 146.372 -5.038 11.437 23 HA GLU 4 HA GLU 4 146.590 -6.357 9.598 24 1HB GLU 4 HB2 GLU 4 146.184 -8.688 9.943 25 2HB GLU 4 HB1 GLU 4 146.706 -8.004 11.475 26 1HG GLU 4 HG2 GLU 4 144.560 -8.140 12.397 27 2HG GLU 4 HG1 GLU 4 143.803 -8.360 10.820 28 H ILE 5 HN ILE 5 145.218 -8.074 8.175 29 HA ILE 5 HA ILE 5 143.382 -6.600 6.750 30 HB ILE 5 HB ILE 5 144.508 -8.610 5.881 31 1HG1 ILE 5 HG12 ILE 5 142.190 -9.670 4.997 32 2HG1 ILE 5 HG11 ILE 5 141.586 -8.152 5.654 33 1HG2 ILE 5 HG21 ILE 5 143.722 -9.846 8.144 34 2HG2 ILE 5 HG22 ILE 5 144.230 -10.695 6.683 35 3HG2 ILE 5 HG23 ILE 5 142.513 -10.453 7.012 36 1HD1 ILE 5 HD11 ILE 5 143.789 -7.377 4.201 37 2HD1 ILE 5 HD12 ILE 5 142.104 -7.272 3.684 38 3HD1 ILE 5 HD13 ILE 5 143.082 -8.667 3.227 39 H ILE 6 HN ILE 6 141.248 -6.203 6.874 40 HA ILE 6 HA ILE 6 139.662 -7.704 8.848 41 HB ILE 6 HB ILE 6 139.434 -4.729 8.385 42 1HG1 ILE 6 HG12 ILE 6 140.235 -5.598 11.051 43 2HG1 ILE 6 HG11 ILE 6 141.415 -6.041 9.822 44 1HG2 ILE 6 HG21 ILE 6 137.624 -4.724 9.715 45 2HG2 ILE 6 HG22 ILE 6 138.286 -5.953 10.793 46 3HG2 ILE 6 HG23 ILE 6 137.518 -6.429 9.278 47 1HD1 ILE 6 HD11 ILE 6 141.073 -3.537 9.087 48 2HD1 ILE 6 HD12 ILE 6 142.180 -3.979 10.386 49 3HD1 ILE 6 HD13 ILE 6 140.572 -3.362 10.768 50 H GLU 7 HN GLU 7 139.052 -5.097 6.490 51 HA GLU 7 HA GLU 7 136.737 -6.598 5.515 52 1HB GLU 7 HB2 GLU 7 137.506 -3.792 4.731 53 2HB GLU 7 HB1 GLU 7 135.929 -4.558 4.613 54 1HG GLU 7 HG2 GLU 7 135.542 -4.390 6.904 55 2HG GLU 7 HG1 GLU 7 137.246 -4.122 7.265 56 H ILE 8 HN ILE 8 136.312 -6.311 3.084 57 HA ILE 8 HA ILE 8 138.813 -6.534 1.555 58 HB ILE 8 HB ILE 8 136.469 -8.382 1.133 59 1HG1 ILE 8 HG12 ILE 8 139.100 -9.122 2.412 60 2HG1 ILE 8 HG11 ILE 8 137.688 -8.663 3.361 61 1HG2 ILE 8 HG21 ILE 8 137.604 -8.347 -0.865 62 2HG2 ILE 8 HG22 ILE 8 138.433 -9.660 -0.028 63 3HG2 ILE 8 HG23 ILE 8 139.166 -8.057 -0.096 64 1HD1 ILE 8 HD11 ILE 8 136.561 -10.541 1.865 65 2HD1 ILE 8 HD12 ILE 8 137.409 -10.905 3.368 66 3HD1 ILE 8 HD13 ILE 8 138.223 -11.127 1.819 67 H GLY 9 HN GLY 9 136.204 -4.723 1.908 68 1HA GLY 9 HA2 GLY 9 135.554 -4.528 -0.953 69 2HA GLY 9 HA1 GLY 9 134.598 -3.856 0.359 70 HA PRO 10 HA PRO 10 136.411 0.072 -0.561 71 1HB PRO 10 HB2 PRO 10 136.194 1.259 1.896 72 2HB PRO 10 HB1 PRO 10 134.844 1.080 0.771 73 1HG PRO 10 HG2 PRO 10 135.568 -0.588 3.148 74 2HG PRO 10 HG1 PRO 10 133.971 -0.029 2.615 75 1HD PRO 10 HD2 PRO 10 134.827 -2.542 2.160 76 2HD PRO 10 HD1 PRO 10 133.789 -1.679 1.007 77 H PHE 11 HN PHE 11 137.473 -1.693 2.302 78 HA PHE 11 HA PHE 11 139.734 -0.317 3.019 79 1HB PHE 11 HB2 PHE 11 138.889 -2.224 4.283 80 2HB PHE 11 HB1 PHE 11 139.315 -3.313 2.968 81 HD1 PHE 11 HD1 PHE 11 140.354 -1.939 6.035 82 HD2 PHE 11 HD2 PHE 11 141.837 -3.334 2.300 83 HE1 PHE 11 HE1 PHE 11 142.568 -2.293 7.051 84 HE2 PHE 11 HE2 PHE 11 144.054 -3.687 3.308 85 HZ PHE 11 HZ PHE 11 144.422 -3.173 5.683 86 H THR 12 HN THR 12 139.226 -2.370 0.249 87 HA THR 12 HA THR 12 142.042 -2.425 -0.441 88 HB THR 12 HB THR 12 140.508 -3.351 -2.619 89 HG1 THR 12 HG1 THR 12 139.172 -4.881 -1.537 90 1HG2 THR 12 HG21 THR 12 141.539 -5.188 -0.505 91 2HG2 THR 12 HG22 THR 12 142.648 -4.278 -1.533 92 3HG2 THR 12 HG23 THR 12 141.498 -5.403 -2.254 93 H GLN 13 HN GLN 13 139.095 -1.393 -2.167 94 HA GLN 13 HA GLN 13 140.233 -0.002 -4.229 95 1HB GLN 13 HB2 GLN 13 137.764 -0.428 -3.756 96 2HB GLN 13 HB1 GLN 13 137.810 1.020 -2.761 97 1HG GLN 13 HG2 GLN 13 137.065 1.876 -4.743 98 2HG GLN 13 HG1 GLN 13 138.804 2.114 -4.912 99 1HE2 GLN 13 HE21 GLN 13 138.702 2.113 -7.149 100 2HE2 GLN 13 HE22 GLN 13 138.417 0.675 -8.062 101 H ASN 14 HN ASN 14 140.025 0.942 -0.885 102 HA ASN 14 HA ASN 14 140.433 3.671 -1.045 103 1HB ASN 14 HB2 ASN 14 140.483 1.684 0.977 104 2HB ASN 14 HB1 ASN 14 141.973 2.607 1.132 105 1HD2 ASN 14 HD21 ASN 14 138.565 3.295 0.399 106 2HD2 ASN 14 HD22 ASN 14 138.416 4.607 1.514 107 H LEU 15 HN LEU 15 142.988 1.242 -0.449 108 HA LEU 15 HA LEU 15 145.171 2.889 -0.754 109 1HB LEU 15 HB2 LEU 15 144.873 0.243 -0.344 110 2HB LEU 15 HB1 LEU 15 145.402 0.222 -2.016 111 HG LEU 15 HG LEU 15 147.095 1.968 -0.466 112 1HD1 LEU 15 HD11 LEU 15 146.320 -0.557 0.797 113 2HD1 LEU 15 HD12 LEU 15 147.089 0.873 1.485 114 3HD1 LEU 15 HD13 LEU 15 148.059 -0.325 0.629 115 1HD2 LEU 15 HD21 LEU 15 148.627 1.135 -1.857 116 2HD2 LEU 15 HD22 LEU 15 147.288 0.308 -2.652 117 3HD2 LEU 15 HD23 LEU 15 148.239 -0.530 -1.426 118 H GLY 16 HN GLY 16 143.034 1.583 -3.170 119 1HA GLY 16 HA2 GLY 16 144.572 1.977 -5.478 120 2HA GLY 16 HA1 GLY 16 142.816 2.034 -5.411 121 H LYS 17 HN LYS 17 142.513 4.221 -3.657 122 HA LYS 17 HA LYS 17 142.697 6.375 -5.469 123 1HB LYS 17 HB2 LYS 17 141.335 5.943 -3.157 124 2HB LYS 17 HB1 LYS 17 142.584 7.043 -2.590 125 1HG LYS 17 HG2 LYS 17 141.675 8.201 -4.939 126 2HG LYS 17 HG1 LYS 17 140.219 7.576 -4.165 127 1HD LYS 17 HD2 LYS 17 140.291 9.114 -2.536 128 2HD LYS 17 HD1 LYS 17 142.031 8.917 -2.307 129 1HE LYS 17 HE2 LYS 17 141.208 10.262 -4.798 130 2HE LYS 17 HE1 LYS 17 140.878 11.145 -3.308 131 1HZ LYS 17 HZ1 LYS 17 143.427 10.461 -4.537 132 2HZ LYS 17 HZ2 LYS 17 143.368 10.394 -2.847 133 3HZ LYS 17 HZ3 LYS 17 142.986 11.832 -3.650 134 H PHE 18 HN PHE 18 144.660 5.438 -2.681 135 HA PHE 18 HA PHE 18 146.471 7.640 -2.974 136 1HB PHE 18 HB2 PHE 18 146.722 5.102 -1.352 137 2HB PHE 18 HB1 PHE 18 147.792 6.495 -1.229 138 HD1 PHE 18 HD1 PHE 18 147.228 8.347 0.100 139 HD2 PHE 18 HD2 PHE 18 144.314 5.356 -0.717 140 HE1 PHE 18 HE1 PHE 18 145.736 9.347 1.783 141 HE2 PHE 18 HE2 PHE 18 142.816 6.349 0.963 142 HZ PHE 18 HZ PHE 18 143.527 8.347 2.216 143 H ALA 19 HN ALA 19 146.100 4.649 -4.493 144 HA ALA 19 HA ALA 19 148.780 3.970 -5.049 145 1HB ALA 19 HB1 ALA 19 146.184 3.029 -5.795 146 2HB ALA 19 HB2 ALA 19 147.731 2.186 -5.858 147 3HB ALA 19 HB3 ALA 19 147.196 3.152 -7.234 148 H VAL 20 HN VAL 20 146.377 5.822 -6.899 149 HA VAL 20 HA VAL 20 148.179 6.482 -9.010 150 HB VAL 20 HB VAL 20 145.637 7.925 -8.242 151 1HG1 VAL 20 HG11 VAL 20 145.775 9.064 -10.180 152 2HG1 VAL 20 HG12 VAL 20 146.481 7.704 -11.055 153 3HG1 VAL 20 HG13 VAL 20 147.498 8.718 -10.029 154 1HG2 VAL 20 HG21 VAL 20 145.359 5.453 -8.573 155 2HG2 VAL 20 HG22 VAL 20 145.923 5.678 -10.228 156 3HG2 VAL 20 HG23 VAL 20 144.437 6.460 -9.689 157 H ASP 21 HN ASP 21 147.085 8.104 -6.068 158 HA ASP 21 HA ASP 21 148.381 10.572 -6.562 159 1HB ASP 21 HB2 ASP 21 147.350 9.235 -4.068 160 2HB ASP 21 HB1 ASP 21 148.179 10.787 -4.001 161 H GLU 22 HN GLU 22 149.478 7.506 -5.380 162 HA GLU 22 HA GLU 22 152.035 8.665 -4.530 163 1HB GLU 22 HB2 GLU 22 150.857 5.916 -4.107 164 2HB GLU 22 HB1 GLU 22 152.470 6.392 -3.587 165 1HG GLU 22 HG2 GLU 22 149.906 7.668 -2.671 166 2HG GLU 22 HG1 GLU 22 150.823 6.459 -1.775 167 H GLU 23 HN GLU 23 150.590 7.005 -7.133 168 HA GLU 23 HA GLU 23 152.579 5.365 -8.106 169 1HB GLU 23 HB2 GLU 23 150.173 6.408 -9.067 170 2HB GLU 23 HB1 GLU 23 151.374 6.894 -10.255 171 1HG GLU 23 HG2 GLU 23 151.250 4.069 -9.291 172 2HG GLU 23 HG1 GLU 23 150.145 4.645 -10.539 173 H ASN 24 HN ASN 24 152.485 8.830 -7.986 174 HA ASN 24 HA ASN 24 154.811 9.059 -9.742 175 1HB ASN 24 HB2 ASN 24 152.754 10.940 -8.710 176 2HB ASN 24 HB1 ASN 24 154.357 11.600 -9.019 177 1HD2 ASN 24 HD21 ASN 24 151.588 10.019 -10.438 178 2HD2 ASN 24 HD22 ASN 24 151.939 10.444 -12.075 179 H LYS 25 HN LYS 25 154.768 7.933 -6.904 180 HA LYS 25 HA LYS 25 156.657 9.802 -5.656 181 1HB LYS 25 HB2 LYS 25 154.510 8.437 -4.570 182 2HB LYS 25 HB1 LYS 25 155.890 7.478 -4.058 183 1HG LYS 25 HG2 LYS 25 155.488 10.422 -3.577 184 2HG LYS 25 HG1 LYS 25 155.340 9.130 -2.384 185 1HD LYS 25 HD2 LYS 25 157.889 8.989 -3.724 186 2HD LYS 25 HD1 LYS 25 157.637 10.595 -3.037 187 1HE LYS 25 HE2 LYS 25 158.701 9.280 -1.368 188 2HE LYS 25 HE1 LYS 25 157.017 9.472 -0.882 189 1HZ LYS 25 HZ1 LYS 25 158.263 7.134 -0.912 190 2HZ LYS 25 HZ2 LYS 25 157.632 7.123 -2.480 191 3HZ LYS 25 HZ3 LYS 25 156.596 7.289 -1.155 192 H ILE 26 HN ILE 26 156.355 6.250 -5.439 193 HA ILE 26 HA ILE 26 159.062 5.748 -5.141 194 HB ILE 26 HB ILE 26 157.261 4.106 -4.745 195 1HG1 ILE 26 HG12 ILE 26 159.507 3.243 -6.566 196 2HG1 ILE 26 HG11 ILE 26 159.541 3.322 -4.808 197 1HG2 ILE 26 HG21 ILE 26 157.263 3.449 -7.652 198 2HG2 ILE 26 HG22 ILE 26 156.159 4.660 -7.001 199 3HG2 ILE 26 HG23 ILE 26 156.102 3.005 -6.403 200 1HD1 ILE 26 HD11 ILE 26 157.944 1.426 -6.508 201 2HD1 ILE 26 HD12 ILE 26 157.801 1.557 -4.756 202 3HD1 ILE 26 HD13 ILE 26 159.325 1.043 -5.480 203 H GLY 27 HN GLY 27 157.152 5.891 -8.128 204 1HA GLY 27 HA2 GLY 27 159.610 5.524 -9.693 205 2HA GLY 27 HA1 GLY 27 157.971 5.398 -10.312 206 H GLN 28 HN GLN 28 159.664 6.829 -11.781 207 HA GLN 28 HA GLN 28 159.925 9.554 -11.134 208 1HB GLN 28 HB2 GLN 28 159.987 8.019 -13.714 209 2HB GLN 28 HB1 GLN 28 160.086 9.774 -13.714 210 1HG GLN 28 HG2 GLN 28 161.944 8.065 -12.095 211 2HG GLN 28 HG1 GLN 28 162.267 8.484 -13.776 212 1HE2 GLN 28 HE21 GLN 28 164.027 9.748 -13.442 213 2HE2 GLN 28 HE22 GLN 28 163.986 11.253 -12.592 214 H TYR 29 HN TYR 29 157.669 8.036 -13.446 215 HA TYR 29 HA TYR 29 155.624 9.972 -12.650 216 1HB TYR 29 HB2 TYR 29 155.051 10.286 -15.096 217 2HB TYR 29 HB1 TYR 29 156.545 11.048 -14.564 218 HD1 TYR 29 HD1 TYR 29 158.670 10.343 -15.426 219 HD2 TYR 29 HD2 TYR 29 155.119 8.262 -16.504 220 HE1 TYR 29 HE1 TYR 29 159.901 9.179 -17.208 221 HE2 TYR 29 HE2 TYR 29 156.342 7.091 -18.288 222 HH TYR 29 HH TYR 29 159.745 7.147 -18.530 223 H GLY 30 HN GLY 30 153.829 8.905 -12.163 224 1HA GLY 30 HA2 GLY 30 153.472 6.182 -13.153 225 2HA GLY 30 HA1 GLY 30 152.567 6.942 -11.852 226 H ARG 31 HN ARG 31 150.968 5.647 -13.358 227 HA ARG 31 HA ARG 31 149.687 7.672 -15.048 228 1HB ARG 31 HB2 ARG 31 149.150 6.035 -16.753 229 2HB ARG 31 HB1 ARG 31 150.892 6.087 -16.515 230 1HG ARG 31 HG2 ARG 31 150.947 4.011 -15.496 231 2HG ARG 31 HG1 ARG 31 149.233 4.060 -15.075 232 1HD ARG 31 HD2 ARG 31 148.621 3.168 -17.031 233 2HD ARG 31 HD1 ARG 31 149.705 4.215 -17.945 234 HE ARG 31 HE ARG 31 151.137 2.457 -18.093 235 1HH1 ARG 31 HH11 ARG 31 149.140 1.983 -15.270 236 2HH1 ARG 31 HH12 ARG 31 149.829 0.441 -14.887 237 1HH2 ARG 31 HH21 ARG 31 152.046 0.430 -17.590 238 2HH2 ARG 31 HH22 ARG 31 151.480 -0.440 -16.204 239 H LEU 32 HN LEU 32 147.453 6.321 -15.815 240 HA LEU 32 HA LEU 32 145.901 6.345 -13.436 241 1HB LEU 32 HB2 LEU 32 145.063 7.021 -15.674 242 2HB LEU 32 HB1 LEU 32 145.135 5.344 -16.179 243 HG LEU 32 HG LEU 32 143.524 5.996 -13.762 244 1HD1 LEU 32 HD11 LEU 32 141.623 6.239 -15.619 245 2HD1 LEU 32 HD12 LEU 32 142.967 6.972 -16.498 246 3HD1 LEU 32 HD13 LEU 32 142.473 7.624 -14.935 247 1HD2 LEU 32 HD21 LEU 32 142.072 4.238 -14.836 248 2HD2 LEU 32 HD22 LEU 32 143.675 3.701 -14.333 249 3HD2 LEU 32 HD23 LEU 32 143.348 4.032 -16.035 250 H THR 33 HN THR 33 145.650 4.769 -12.013 251 HA THR 33 HA THR 33 145.576 1.993 -12.926 252 HB THR 33 HB THR 33 147.909 2.440 -12.230 253 HG1 THR 33 HG1 THR 33 148.063 0.650 -10.939 254 1HG2 THR 33 HG21 THR 33 147.569 2.465 -9.409 255 2HG2 THR 33 HG22 THR 33 146.728 3.852 -10.101 256 3HG2 THR 33 HG23 THR 33 148.441 3.604 -10.436 257 H PHE 34 HN PHE 34 143.549 3.851 -12.011 258 HA PHE 34 HA PHE 34 142.808 2.699 -9.412 259 1HB PHE 34 HB2 PHE 34 142.900 5.197 -9.652 260 2HB PHE 34 HB1 PHE 34 141.567 5.080 -10.795 261 HD1 PHE 34 HD1 PHE 34 142.485 4.080 -7.327 262 HD2 PHE 34 HD2 PHE 34 139.409 5.268 -10.015 263 HE1 PHE 34 HE1 PHE 34 140.888 4.157 -5.458 264 HE2 PHE 34 HE2 PHE 34 137.806 5.348 -8.151 265 HZ PHE 34 HZ PHE 34 138.545 4.793 -5.869 266 H ASN 35 HN ASN 35 142.507 1.376 -12.088 267 HA ASN 35 HA ASN 35 139.757 1.403 -12.786 268 1HB ASN 35 HB2 ASN 35 141.726 0.588 -14.202 269 2HB ASN 35 HB1 ASN 35 141.631 -0.906 -13.275 270 1HD2 ASN 35 HD21 ASN 35 139.981 1.173 -15.538 271 2HD2 ASN 35 HD22 ASN 35 138.852 -0.007 -16.100 272 H LYS 36 HN LYS 36 141.592 -1.301 -11.338 273 HA LYS 36 HA LYS 36 139.344 -1.774 -9.518 274 1HB LYS 36 HB2 LYS 36 140.606 -3.933 -11.216 275 2HB LYS 36 HB1 LYS 36 139.371 -4.179 -9.993 276 1HG LYS 36 HG2 LYS 36 137.704 -3.367 -11.310 277 2HG LYS 36 HG1 LYS 36 138.776 -2.281 -12.193 278 1HD LYS 36 HD2 LYS 36 138.955 -3.770 -13.834 279 2HD LYS 36 HD1 LYS 36 139.598 -4.959 -12.702 280 1HE LYS 36 HE2 LYS 36 136.650 -4.459 -12.877 281 2HE LYS 36 HE1 LYS 36 137.449 -5.514 -14.042 282 1HZ LYS 36 HZ1 LYS 36 136.530 -6.712 -12.119 283 2HZ LYS 36 HZ2 LYS 36 137.575 -5.862 -11.097 284 3HZ LYS 36 HZ3 LYS 36 138.203 -6.912 -12.263 285 H VAL 37 HN VAL 37 140.906 -0.809 -8.034 286 HA VAL 37 HA VAL 37 143.303 -2.315 -7.432 287 HB VAL 37 HB VAL 37 142.066 0.090 -6.086 288 1HG1 VAL 37 HG11 VAL 37 144.339 -1.631 -5.314 289 2HG1 VAL 37 HG12 VAL 37 143.282 -0.628 -4.321 290 3HG1 VAL 37 HG13 VAL 37 144.606 0.110 -5.218 291 1HG2 VAL 37 HG21 VAL 37 144.479 0.861 -7.094 292 2HG2 VAL 37 HG22 VAL 37 142.926 1.095 -7.897 293 3HG2 VAL 37 HG23 VAL 37 143.931 -0.293 -8.310 294 H ILE 38 HN ILE 38 143.068 -4.208 -6.387 295 HA ILE 38 HA ILE 38 141.762 -4.193 -3.825 296 HB ILE 38 HB ILE 38 140.321 -6.170 -4.332 297 1HG1 ILE 38 HG12 ILE 38 140.573 -5.454 -7.236 298 2HG1 ILE 38 HG11 ILE 38 141.700 -6.601 -6.519 299 1HG2 ILE 38 HG21 ILE 38 138.527 -4.898 -5.278 300 2HG2 ILE 38 HG22 ILE 38 139.657 -3.745 -5.987 301 3HG2 ILE 38 HG23 ILE 38 139.474 -3.838 -4.236 302 1HD1 ILE 38 HD11 ILE 38 140.000 -7.899 -7.462 303 2HD1 ILE 38 HD12 ILE 38 138.730 -6.852 -6.830 304 3HD1 ILE 38 HD13 ILE 38 139.652 -7.879 -5.733 305 H LYS 39 HN LYS 39 141.644 -7.355 -4.582 306 HA LYS 39 HA LYS 39 143.001 -9.170 -4.427 307 1HB LYS 39 HB2 LYS 39 145.304 -7.223 -4.382 308 2HB LYS 39 HB1 LYS 39 145.430 -8.964 -4.558 309 1HG LYS 39 HG2 LYS 39 143.979 -7.183 -6.501 310 2HG LYS 39 HG1 LYS 39 145.659 -7.695 -6.686 311 1HD LYS 39 HD2 LYS 39 145.092 -9.806 -7.267 312 2HD LYS 39 HD1 LYS 39 143.698 -9.843 -6.185 313 1HE LYS 39 HE2 LYS 39 142.286 -9.030 -7.760 314 2HE LYS 39 HE1 LYS 39 143.523 -8.014 -8.499 315 1HZ LYS 39 HZ1 LYS 39 142.901 -10.840 -8.995 316 2HZ LYS 39 HZ2 LYS 39 144.486 -10.299 -9.232 317 3HZ LYS 39 HZ3 LYS 39 143.217 -9.598 -10.101 318 HA PRO 40 HA PRO 40 143.325 -9.910 -0.129 319 1HB PRO 40 HB2 PRO 40 145.677 -11.430 -0.069 320 2HB PRO 40 HB1 PRO 40 144.042 -12.052 -0.311 321 1HG PRO 40 HG2 PRO 40 146.147 -11.418 -2.324 322 2HG PRO 40 HG1 PRO 40 144.957 -12.732 -2.316 323 1HD PRO 40 HD2 PRO 40 144.642 -10.597 -3.890 324 2HD PRO 40 HD1 PRO 40 143.249 -11.353 -3.088 325 H CYS 41 HN CYS 41 143.795 -7.677 0.308 326 HA CYS 41 HA CYS 41 146.542 -6.819 0.524 327 1HB CYS 41 HB2 CYS 41 145.501 -4.754 1.516 328 2HB CYS 41 HB1 CYS 41 144.938 -5.157 -0.100 329 HG CYS 41 HG CYS 41 142.774 -4.717 1.050 330 H MET 42 HN MET 42 146.741 -5.419 2.816 331 HA MET 42 HA MET 42 145.831 -6.637 5.163 332 1HB MET 42 HB2 MET 42 147.148 -8.566 4.386 333 2HB MET 42 HB1 MET 42 148.584 -7.554 4.309 334 1HG MET 42 HG2 MET 42 148.700 -7.349 6.639 335 2HG MET 42 HG1 MET 42 147.049 -7.932 6.856 336 1HE MET 42 HE1 MET 42 147.010 -11.511 6.516 337 2HE MET 42 HE2 MET 42 147.446 -11.044 4.872 338 3HE MET 42 HE3 MET 42 146.325 -10.051 5.804 339 H LYS 43 HN LYS 43 145.969 -5.037 6.572 340 HA LYS 43 HA LYS 43 148.320 -3.258 6.478 341 1HB LYS 43 HB2 LYS 43 146.255 -2.109 5.797 342 2HB LYS 43 HB1 LYS 43 145.491 -2.577 7.309 343 1HG LYS 43 HG2 LYS 43 148.023 -1.142 7.629 344 2HG LYS 43 HG1 LYS 43 146.740 -0.209 6.858 345 1HD LYS 43 HD2 LYS 43 145.859 0.166 8.865 346 2HD LYS 43 HD1 LYS 43 145.552 -1.565 9.023 347 1HE LYS 43 HE2 LYS 43 147.443 -1.922 10.282 348 2HE LYS 43 HE1 LYS 43 148.280 -0.520 9.616 349 1HZ LYS 43 HZ1 LYS 43 147.101 -0.619 12.040 350 2HZ LYS 43 HZ2 LYS 43 145.910 0.141 11.112 351 3HZ LYS 43 HZ3 LYS 43 147.463 0.802 11.198 352 H LYS 44 HN LYS 44 149.600 -3.465 8.199 353 HA LYS 44 HA LYS 44 148.375 -4.282 10.753 354 1HB LYS 44 HB2 LYS 44 150.984 -5.097 9.500 355 2HB LYS 44 HB1 LYS 44 150.711 -5.247 11.231 356 1HG LYS 44 HG2 LYS 44 148.559 -6.526 10.476 357 2HG LYS 44 HG1 LYS 44 149.466 -6.739 8.977 358 1HD LYS 44 HD2 LYS 44 150.623 -7.406 11.671 359 2HD LYS 44 HD1 LYS 44 149.692 -8.571 10.728 360 1HE LYS 44 HE2 LYS 44 151.859 -7.171 9.296 361 2HE LYS 44 HE1 LYS 44 152.366 -8.299 10.554 362 1HZ LYS 44 HZ1 LYS 44 151.102 -8.825 7.992 363 2HZ LYS 44 HZ2 LYS 44 150.550 -9.764 9.286 364 3HZ LYS 44 HZ3 LYS 44 152.191 -9.769 8.880 365 H THR 45 HN THR 45 148.541 -2.834 12.326 366 HA THR 45 HA THR 45 149.970 -0.437 12.039 367 HB THR 45 HB THR 45 149.209 -1.223 14.775 368 HG1 THR 45 HG1 THR 45 146.974 -1.064 14.254 369 1HG2 THR 45 HG21 THR 45 147.888 0.904 14.590 370 2HG2 THR 45 HG22 THR 45 148.613 1.119 12.997 371 3HG2 THR 45 HG23 THR 45 149.636 1.068 14.432 372 H ILE 46 HN ILE 46 151.502 0.354 13.833 373 HA ILE 46 HA ILE 46 153.301 -1.772 14.752 374 HB ILE 46 HB ILE 46 154.514 0.693 13.562 375 1HG1 ILE 46 HG12 ILE 46 153.019 -0.296 11.824 376 2HG1 ILE 46 HG11 ILE 46 154.726 -0.357 11.396 377 1HG2 ILE 46 HG21 ILE 46 155.809 -0.907 14.972 378 2HG2 ILE 46 HG22 ILE 46 156.458 -0.672 13.350 379 3HG2 ILE 46 HG23 ILE 46 155.544 -2.131 13.731 380 1HD1 ILE 46 HD11 ILE 46 152.966 -2.440 11.264 381 2HD1 ILE 46 HD12 ILE 46 153.805 -2.741 12.785 382 3HD1 ILE 46 HD13 ILE 46 154.723 -2.578 11.289 383 H TYR 47 HN TYR 47 152.151 -1.103 16.766 384 HA TYR 47 HA TYR 47 153.157 1.433 17.849 385 1HB TYR 47 HB2 TYR 47 151.400 1.336 19.473 386 2HB TYR 47 HB1 TYR 47 150.685 0.980 17.905 387 HD1 TYR 47 HD1 TYR 47 151.148 -0.149 21.265 388 HD2 TYR 47 HD2 TYR 47 150.272 -1.475 17.318 389 HE1 TYR 47 HE1 TYR 47 150.206 -2.228 22.178 390 HE2 TYR 47 HE2 TYR 47 149.327 -3.556 18.222 391 HH TYR 47 HH TYR 47 149.874 -4.687 21.196 392 H GLU 48 HN GLU 48 154.381 1.539 19.674 393 HA GLU 48 HA GLU 48 155.864 -0.806 20.353 394 1HB GLU 48 HB2 GLU 48 156.999 1.324 20.236 395 2HB GLU 48 HB1 GLU 48 155.946 1.986 21.477 396 1HG GLU 48 HG2 GLU 48 157.583 1.457 22.889 397 2HG GLU 48 HG1 GLU 48 157.001 -0.199 22.731 398 H ASN 49 HN ASN 49 154.641 1.435 22.714 399 HA ASN 49 HA ASN 49 152.794 -0.345 23.930 400 1HB ASN 49 HB2 ASN 49 155.603 -0.348 24.872 401 2HB ASN 49 HB1 ASN 49 154.371 -0.250 26.127 402 1HD2 ASN 49 HD21 ASN 49 152.387 -1.794 25.243 403 2HD2 ASN 49 HD22 ASN 49 152.911 -3.427 25.037 404 H GLU 50 HN GLU 50 155.121 2.186 24.871 405 HA GLU 50 HA GLU 50 152.929 3.640 26.173 406 1HB GLU 50 HB2 GLU 50 155.250 3.051 27.273 407 2HB GLU 50 HB1 GLU 50 155.796 4.469 26.387 408 1HG GLU 50 HG2 GLU 50 153.341 4.727 28.026 409 2HG GLU 50 HG1 GLU 50 154.887 4.610 28.865 410 H ARG 51 HN ARG 51 153.154 3.576 23.324 411 HA ARG 51 HA ARG 51 152.905 5.002 21.570 412 1HB ARG 51 HB2 ARG 51 152.042 6.479 23.656 413 2HB ARG 51 HB1 ARG 51 153.409 7.460 23.145 414 1HG ARG 51 HG2 ARG 51 151.660 6.586 20.963 415 2HG ARG 51 HG1 ARG 51 150.896 7.653 22.142 416 1HD ARG 51 HD2 ARG 51 152.154 9.431 21.547 417 2HD ARG 51 HD1 ARG 51 153.590 8.449 21.257 418 HE ARG 51 HE ARG 51 152.992 8.280 19.051 419 1HH1 ARG 51 HH11 ARG 51 150.275 9.490 20.876 420 2HH1 ARG 51 HH12 ARG 51 149.337 9.863 19.470 421 1HH2 ARG 51 HH21 ARG 51 151.760 8.771 17.200 422 2HH2 ARG 51 HH22 ARG 51 150.180 9.456 17.381 423 H GLU 52 HN GLU 52 155.310 3.871 21.761 424 HA GLU 52 HA GLU 52 157.347 5.939 21.599 425 1HB GLU 52 HB2 GLU 52 157.551 3.560 22.709 426 2HB GLU 52 HB1 GLU 52 157.928 3.062 21.067 427 1HG GLU 52 HG2 GLU 52 160.007 3.463 21.989 428 2HG GLU 52 HG1 GLU 52 159.663 4.952 21.110 429 H ILE 53 HN ILE 53 155.340 4.130 19.537 430 HA ILE 53 HA ILE 53 156.618 5.331 17.238 431 HB ILE 53 HB ILE 53 157.765 3.321 17.080 432 1HG1 ILE 53 HG12 ILE 53 155.267 2.960 15.414 433 2HG1 ILE 53 HG11 ILE 53 156.686 3.891 14.962 434 1HG2 ILE 53 HG21 ILE 53 155.679 1.339 17.203 435 2HG2 ILE 53 HG22 ILE 53 155.756 2.292 18.683 436 3HG2 ILE 53 HG23 ILE 53 157.191 1.451 18.103 437 1HD1 ILE 53 HD11 ILE 53 156.821 0.956 15.559 438 2HD1 ILE 53 HD12 ILE 53 157.996 1.961 14.711 439 3HD1 ILE 53 HD13 ILE 53 156.449 1.585 13.954 440 H LYS 54 HN LYS 54 154.282 2.751 17.350 441 HA LYS 54 HA LYS 54 152.088 2.606 16.791 442 1HB LYS 54 HB2 LYS 54 152.374 5.221 17.980 443 2HB LYS 54 HB1 LYS 54 151.138 5.241 16.731 444 1HG LYS 54 HG2 LYS 54 150.427 3.000 18.008 445 2HG LYS 54 HG1 LYS 54 151.175 3.875 19.345 446 1HD LYS 54 HD2 LYS 54 149.482 5.637 17.828 447 2HD LYS 54 HD1 LYS 54 148.582 4.198 18.312 448 1HE LYS 54 HE2 LYS 54 149.975 4.840 20.591 449 2HE LYS 54 HE1 LYS 54 149.577 6.422 19.921 450 1HZ LYS 54 HZ1 LYS 54 147.231 5.401 19.686 451 2HZ LYS 54 HZ2 LYS 54 147.745 5.945 21.203 452 3HZ LYS 54 HZ3 LYS 54 147.768 4.292 20.846 453 H GLY 55 HN GLY 55 153.595 2.339 14.701 454 1HA GLY 55 HA2 GLY 55 152.822 4.256 12.626 455 2HA GLY 55 HA1 GLY 55 153.992 2.953 12.457 456 H TYR 56 HN TYR 56 152.649 2.751 10.403 457 HA TYR 56 HA TYR 56 150.976 0.474 10.712 458 1HB TYR 56 HB2 TYR 56 148.991 1.626 9.515 459 2HB TYR 56 HB1 TYR 56 149.177 1.853 11.249 460 HD1 TYR 56 HD1 TYR 56 149.689 4.014 12.171 461 HD2 TYR 56 HD2 TYR 56 149.510 3.459 7.956 462 HE1 TYR 56 HE1 TYR 56 149.648 6.452 11.857 463 HE2 TYR 56 HE2 TYR 56 149.471 5.896 7.631 464 HH TYR 56 HH TYR 56 150.079 7.921 8.794 465 H GLU 57 HN GLU 57 151.320 -0.765 9.029 466 HA GLU 57 HA GLU 57 152.328 0.468 6.565 467 1HB GLU 57 HB2 GLU 57 153.253 -1.714 6.020 468 2HB GLU 57 HB1 GLU 57 153.763 -1.235 7.633 469 1HG GLU 57 HG2 GLU 57 151.583 -2.624 8.283 470 2HG GLU 57 HG1 GLU 57 151.994 -3.438 6.775 471 H TYR 58 HN TYR 58 151.052 0.558 4.829 472 HA TYR 58 HA TYR 58 148.664 -1.167 4.783 473 1HB TYR 58 HB2 TYR 58 148.798 1.583 4.687 474 2HB TYR 58 HB1 TYR 58 148.643 1.148 2.987 475 HD1 TYR 58 HD1 TYR 58 146.839 -1.006 2.826 476 HD2 TYR 58 HD2 TYR 58 146.785 2.231 5.586 477 HE1 TYR 58 HE1 TYR 58 144.416 -1.300 3.114 478 HE2 TYR 58 HE2 TYR 58 144.361 1.943 5.885 479 HH TYR 58 HH TYR 58 142.488 -0.125 3.850 480 H GLN 59 HN GLN 59 149.240 -2.899 3.595 481 HA GLN 59 HA GLN 59 150.614 -2.485 1.039 482 1HB GLN 59 HB2 GLN 59 151.482 -4.200 2.637 483 2HB GLN 59 HB1 GLN 59 149.971 -5.080 2.455 484 1HG GLN 59 HG2 GLN 59 150.796 -4.730 -0.140 485 2HG GLN 59 HG1 GLN 59 152.306 -4.992 0.728 486 1HE2 GLN 59 HE21 GLN 59 152.441 -6.959 -0.506 487 2HE2 GLN 59 HE22 GLN 59 151.584 -8.363 0.022 488 H LEU 60 HN LEU 60 149.734 -3.276 -0.925 489 HA LEU 60 HA LEU 60 147.264 -4.611 -1.076 490 1HB LEU 60 HB2 LEU 60 146.837 -2.070 -0.376 491 2HB LEU 60 HB1 LEU 60 146.929 -1.857 -2.114 492 HG LEU 60 HG LEU 60 145.223 -4.059 -1.649 493 1HD1 LEU 60 HD11 LEU 60 143.658 -3.399 -0.095 494 2HD1 LEU 60 HD12 LEU 60 144.130 -1.703 -0.177 495 3HD1 LEU 60 HD13 LEU 60 145.152 -2.865 0.672 496 1HD2 LEU 60 HD21 LEU 60 145.180 -1.447 -2.938 497 2HD2 LEU 60 HD22 LEU 60 143.602 -1.957 -2.343 498 3HD2 LEU 60 HD23 LEU 60 144.494 -2.984 -3.463 499 H TYR 61 HN TYR 61 146.541 -5.004 -3.254 500 HA TYR 61 HA TYR 61 148.634 -4.420 -5.242 501 1HB TYR 61 HB2 TYR 61 146.706 -6.722 -5.404 502 2HB TYR 61 HB1 TYR 61 148.185 -6.486 -6.318 503 HD1 TYR 61 HD1 TYR 61 150.046 -7.684 -5.684 504 HD2 TYR 61 HD2 TYR 61 147.070 -6.843 -2.764 505 HE1 TYR 61 HE1 TYR 61 151.288 -9.027 -4.042 506 HE2 TYR 61 HE2 TYR 61 148.305 -8.180 -1.112 507 HH TYR 61 HH TYR 61 151.509 -9.344 -1.708 508 H VAL 62 HN VAL 62 147.985 -2.814 -6.506 509 HA VAL 62 HA VAL 62 145.190 -2.296 -6.955 510 HB VAL 62 HB VAL 62 145.928 -0.359 -8.239 511 1HG1 VAL 62 HG11 VAL 62 146.284 0.770 -6.352 512 2HG1 VAL 62 HG12 VAL 62 147.830 -0.033 -6.076 513 3HG1 VAL 62 HG13 VAL 62 146.333 -0.790 -5.532 514 1HG2 VAL 62 HG21 VAL 62 148.639 -0.148 -7.940 515 2HG2 VAL 62 HG22 VAL 62 147.811 -0.619 -9.425 516 3HG2 VAL 62 HG23 VAL 62 148.436 -1.855 -8.333 517 H TYR 63 HN TYR 63 144.267 -3.878 -8.199 518 HA TYR 63 HA TYR 63 145.557 -4.771 -10.630 519 1HB TYR 63 HB2 TYR 63 144.072 -6.207 -9.112 520 2HB TYR 63 HB1 TYR 63 142.710 -5.353 -9.826 521 HD1 TYR 63 HD1 TYR 63 142.231 -5.599 -12.249 522 HD2 TYR 63 HD2 TYR 63 145.220 -7.921 -10.308 523 HE1 TYR 63 HE1 TYR 63 142.224 -7.175 -14.137 524 HE2 TYR 63 HE2 TYR 63 145.223 -9.503 -12.192 525 HH TYR 63 HH TYR 63 144.458 -9.120 -14.919 526 H ALA 64 HN ALA 64 145.708 -2.608 -11.553 527 HA ALA 64 HA ALA 64 143.323 -1.214 -12.306 528 1HB ALA 64 HB1 ALA 64 145.241 0.112 -11.933 529 2HB ALA 64 HB2 ALA 64 144.927 0.172 -13.668 530 3HB ALA 64 HB3 ALA 64 146.216 -0.856 -13.039 531 H SER 65 HN SER 65 143.258 -0.481 -14.737 532 HA SER 65 HA SER 65 142.459 -2.735 -16.232 533 1HB SER 65 HB2 SER 65 142.497 0.163 -16.584 534 2HB SER 65 HB1 SER 65 142.794 -0.701 -18.092 535 HG SER 65 HG SER 65 140.817 -1.475 -18.057 536 H ASP 66 HN ASP 66 145.339 -0.675 -16.406 537 HA ASP 66 HA ASP 66 146.511 -1.713 -18.664 538 1HB ASP 66 HB2 ASP 66 147.456 -0.272 -16.286 539 2HB ASP 66 HB1 ASP 66 148.693 -1.201 -17.126 540 H LYS 67 HN LYS 67 146.726 -2.831 -15.379 541 HA LYS 67 HA LYS 67 146.863 -5.536 -15.898 542 1HB LYS 67 HB2 LYS 67 149.461 -4.156 -16.150 543 2HB LYS 67 HB1 LYS 67 149.475 -5.597 -15.143 544 1HG LYS 67 HG2 LYS 67 148.040 -6.025 -17.617 545 2HG LYS 67 HG1 LYS 67 149.699 -5.495 -17.893 546 1HD LYS 67 HD2 LYS 67 150.602 -7.342 -16.807 547 2HD LYS 67 HD1 LYS 67 149.111 -7.665 -15.919 548 1HE LYS 67 HE2 LYS 67 148.798 -9.270 -17.457 549 2HE LYS 67 HE1 LYS 67 148.270 -7.940 -18.488 550 1HZ LYS 67 HZ1 LYS 67 149.872 -8.568 -19.869 551 2HZ LYS 67 HZ2 LYS 67 150.562 -9.619 -18.737 552 3HZ LYS 67 HZ3 LYS 67 150.996 -7.984 -18.746 553 H LEU 68 HN LEU 68 148.319 -6.629 -13.943 554 HA LEU 68 HA LEU 68 147.034 -5.600 -11.559 555 1HB LEU 68 HB2 LEU 68 147.889 -7.650 -10.492 556 2HB LEU 68 HB1 LEU 68 146.936 -7.974 -11.926 557 HG LEU 68 HG LEU 68 149.494 -7.880 -12.937 558 1HD1 LEU 68 HD11 LEU 68 149.613 -8.568 -10.088 559 2HD1 LEU 68 HD12 LEU 68 150.884 -8.026 -11.182 560 3HD1 LEU 68 HD13 LEU 68 150.404 -9.723 -11.162 561 1HD2 LEU 68 HD21 LEU 68 147.751 -10.149 -12.021 562 2HD2 LEU 68 HD22 LEU 68 149.279 -10.419 -12.859 563 3HD2 LEU 68 HD23 LEU 68 147.984 -9.527 -13.654 564 H PHE 69 HN PHE 69 148.003 -4.002 -10.497 565 HA PHE 69 HA PHE 69 150.938 -4.014 -10.308 566 1HB PHE 69 HB2 PHE 69 148.912 -1.857 -10.495 567 2HB PHE 69 HB1 PHE 69 150.295 -1.545 -9.452 568 HD1 PHE 69 HD1 PHE 69 149.216 -2.219 -12.894 569 HD2 PHE 69 HD2 PHE 69 152.482 -1.212 -10.358 570 HE1 PHE 69 HE1 PHE 69 150.558 -1.622 -14.868 571 HE2 PHE 69 HE2 PHE 69 153.830 -0.612 -12.328 572 HZ PHE 69 HZ PHE 69 152.869 -0.816 -14.587 573 H ARG 70 HN ARG 70 151.460 -2.508 -8.172 574 HA ARG 70 HA ARG 70 149.906 -3.362 -5.926 575 1HB ARG 70 HB2 ARG 70 151.771 -5.108 -6.630 576 2HB ARG 70 HB1 ARG 70 152.807 -3.999 -5.743 577 1HG ARG 70 HG2 ARG 70 150.353 -4.752 -4.331 578 2HG ARG 70 HG1 ARG 70 151.457 -6.087 -4.654 579 1HD ARG 70 HD2 ARG 70 152.733 -3.637 -3.656 580 2HD ARG 70 HD1 ARG 70 151.634 -4.420 -2.519 581 HE ARG 70 HE ARG 70 153.459 -6.257 -3.740 582 1HH1 ARG 70 HH11 ARG 70 153.097 -3.917 -1.177 583 2HH1 ARG 70 HH12 ARG 70 154.320 -4.633 -0.182 584 1HH2 ARG 70 HH21 ARG 70 155.065 -7.201 -2.432 585 2HH2 ARG 70 HH22 ARG 70 155.437 -6.498 -0.894 586 H ALA 71 HN ALA 71 150.590 -2.373 -3.893 587 HA ALA 71 HA ALA 71 152.506 -0.195 -4.032 588 1HB ALA 71 HB1 ALA 71 150.726 1.055 -4.875 589 2HB ALA 71 HB2 ALA 71 150.711 1.409 -3.147 590 3HB ALA 71 HB3 ALA 71 149.553 0.262 -3.823 591 H ASP 72 HN ASP 72 153.547 -0.034 -2.059 592 HA ASP 72 HA ASP 72 152.070 -1.183 0.237 593 1HB ASP 72 HB2 ASP 72 154.303 -2.273 -0.786 594 2HB ASP 72 HB1 ASP 72 155.034 -1.131 0.337 595 H ILE 73 HN ILE 73 151.800 0.039 1.964 596 HA ILE 73 HA ILE 73 153.238 2.606 2.094 597 HB ILE 73 HB ILE 73 150.588 1.951 3.383 598 1HG1 ILE 73 HG12 ILE 73 151.023 3.605 0.895 599 2HG1 ILE 73 HG11 ILE 73 150.584 1.902 0.844 600 1HG2 ILE 73 HG21 ILE 73 152.356 4.318 3.301 601 2HG2 ILE 73 HG22 ILE 73 151.268 3.754 4.570 602 3HG2 ILE 73 HG23 ILE 73 150.622 4.612 3.172 603 1HD1 ILE 73 HD11 ILE 73 148.448 2.309 1.387 604 2HD1 ILE 73 HD12 ILE 73 148.816 3.928 0.796 605 3HD1 ILE 73 HD13 ILE 73 148.868 3.588 2.525 606 H SER 74 HN SER 74 153.889 3.376 4.158 607 HA SER 74 HA SER 74 153.662 1.749 6.496 608 1HB SER 74 HB2 SER 74 156.399 1.780 6.455 609 2HB SER 74 HB1 SER 74 155.409 0.389 6.013 610 HG SER 74 HG SER 74 156.737 2.230 4.361 611 H GLU 75 HN GLU 75 153.705 3.048 8.206 612 HA GLU 75 HA GLU 75 155.146 5.606 7.939 613 1HB GLU 75 HB2 GLU 75 153.099 6.544 8.026 614 2HB GLU 75 HB1 GLU 75 152.341 5.057 8.563 615 1HG GLU 75 HG2 GLU 75 152.430 5.634 10.745 616 2HG GLU 75 HG1 GLU 75 153.940 6.525 10.568 617 H ASP 76 HN ASP 76 156.828 5.599 9.301 618 HA ASP 76 HA ASP 76 156.673 4.060 11.743 619 1HB ASP 76 HB2 ASP 76 159.061 5.272 10.355 620 2HB ASP 76 HB1 ASP 76 159.132 4.319 11.834 621 H TYR 77 HN TYR 77 157.660 4.992 13.720 622 HA TYR 77 HA TYR 77 157.342 7.913 13.811 623 1HB TYR 77 HB2 TYR 77 155.833 5.917 15.233 624 2HB TYR 77 HB1 TYR 77 156.691 6.958 16.366 625 HD1 TYR 77 HD1 TYR 77 155.199 8.481 17.241 626 HD2 TYR 77 HD2 TYR 77 155.078 7.656 13.069 627 HE1 TYR 77 HE1 TYR 77 153.486 10.223 16.955 628 HE2 TYR 77 HE2 TYR 77 153.364 9.397 12.770 629 HH TYR 77 HH TYR 77 152.640 11.691 15.127 630 H LYS 78 HN LYS 78 159.289 5.206 14.578 631 HA LYS 78 HA LYS 78 160.727 6.135 16.793 632 1HB LYS 78 HB2 LYS 78 162.583 4.707 15.939 633 2HB LYS 78 HB1 LYS 78 161.038 3.872 15.988 634 1HG LYS 78 HG2 LYS 78 160.999 4.825 13.461 635 2HG LYS 78 HG1 LYS 78 162.731 4.583 13.697 636 1HD LYS 78 HD2 LYS 78 160.688 2.469 14.339 637 2HD LYS 78 HD1 LYS 78 161.437 2.619 12.749 638 1HE LYS 78 HE2 LYS 78 163.309 2.615 15.016 639 2HE LYS 78 HE1 LYS 78 162.420 1.110 14.779 640 1HZ LYS 78 HZ1 LYS 78 164.006 0.661 13.295 641 2HZ LYS 78 HZ2 LYS 78 164.523 2.269 13.192 642 3HZ LYS 78 HZ3 LYS 78 163.203 1.744 12.272 643 H THR 79 HN THR 79 160.957 6.790 13.378 644 HA THR 79 HA THR 79 162.735 9.066 13.929 645 HB THR 79 HB THR 79 163.309 8.549 11.342 646 HG1 THR 79 HG1 THR 79 162.008 6.612 11.446 647 1HG2 THR 79 HG21 THR 79 165.302 7.257 12.120 648 2HG2 THR 79 HG22 THR 79 164.630 7.334 13.749 649 3HG2 THR 79 HG23 THR 79 165.065 8.820 12.903 650 H ARG 80 HN ARG 80 159.729 8.254 13.318 651 HA ARG 80 HA ARG 80 157.901 9.331 12.560 652 1HB ARG 80 HB2 ARG 80 159.558 11.596 11.506 653 2HB ARG 80 HB1 ARG 80 157.925 11.627 12.153 654 1HG ARG 80 HG2 ARG 80 158.626 11.847 14.280 655 2HG ARG 80 HG1 ARG 80 160.029 10.804 14.045 656 1HD ARG 80 HD2 ARG 80 160.763 12.876 12.518 657 2HD ARG 80 HD1 ARG 80 159.744 13.725 13.678 658 HE ARG 80 HE ARG 80 162.317 12.535 14.168 659 1HH1 ARG 80 HH11 ARG 80 159.325 13.599 15.618 660 2HH1 ARG 80 HH12 ARG 80 160.021 13.825 17.187 661 1HH2 ARG 80 HH21 ARG 80 163.233 12.832 16.231 662 2HH2 ARG 80 HH22 ARG 80 162.238 13.389 17.537 663 H GLY 81 HN GLY 81 159.006 7.408 11.008 664 1HA GLY 81 HA2 GLY 81 159.434 8.202 8.318 665 2HA GLY 81 HA1 GLY 81 159.014 6.581 8.862 666 H ARG 82 HN ARG 82 157.988 7.578 6.518 667 HA ARG 82 HA ARG 82 155.298 7.036 6.681 668 1HB ARG 82 HB2 ARG 82 155.490 9.359 7.956 669 2HB ARG 82 HB1 ARG 82 155.504 10.001 6.323 670 1HG ARG 82 HG2 ARG 82 153.389 8.052 6.746 671 2HG ARG 82 HG1 ARG 82 153.278 9.443 7.826 672 1HD ARG 82 HD2 ARG 82 153.787 9.877 4.916 673 2HD ARG 82 HD1 ARG 82 152.153 9.495 5.461 674 HE ARG 82 HE ARG 82 153.459 11.985 5.692 675 1HH1 ARG 82 HH11 ARG 82 151.354 9.848 7.475 676 2HH1 ARG 82 HH12 ARG 82 150.619 11.126 8.383 677 1HH2 ARG 82 HH21 ARG 82 152.494 13.669 6.888 678 2HH2 ARG 82 HH22 ARG 82 151.267 13.294 8.051 679 H LYS 83 HN LYS 83 155.201 6.195 4.653 680 HA LYS 83 HA LYS 83 155.277 7.854 2.402 681 1HB LYS 83 HB2 LYS 83 157.344 6.781 1.331 682 2HB LYS 83 HB1 LYS 83 157.595 8.044 2.530 683 1HG LYS 83 HG2 LYS 83 158.664 6.667 3.920 684 2HG LYS 83 HG1 LYS 83 157.495 5.369 3.681 685 1HD LYS 83 HD2 LYS 83 158.722 4.386 2.054 686 2HD LYS 83 HD1 LYS 83 159.271 5.930 1.396 687 1HE LYS 83 HE2 LYS 83 160.593 5.994 3.702 688 2HE LYS 83 HE1 LYS 83 160.448 4.246 3.537 689 1HZ LYS 83 HZ1 LYS 83 161.319 5.663 1.159 690 2HZ LYS 83 HZ2 LYS 83 161.870 4.203 1.813 691 3HZ LYS 83 HZ3 LYS 83 162.413 5.674 2.450 692 H LEU 84 HN LEU 84 154.653 6.934 0.531 693 HA LEU 84 HA LEU 84 153.991 4.059 0.576 694 1HB LEU 84 HB2 LEU 84 152.553 6.050 -1.142 695 2HB LEU 84 HB1 LEU 84 152.001 4.485 -0.580 696 HG LEU 84 HG LEU 84 151.981 5.559 1.766 697 1HD1 LEU 84 HD11 LEU 84 152.907 7.757 0.220 698 2HD1 LEU 84 HD12 LEU 84 152.608 7.673 1.955 699 3HD1 LEU 84 HD13 LEU 84 151.313 8.154 0.860 700 1HD2 LEU 84 HD21 LEU 84 149.756 5.732 1.524 701 2HD2 LEU 84 HD22 LEU 84 150.063 5.164 -0.117 702 3HD2 LEU 84 HD23 LEU 84 149.890 6.890 0.201 703 H LEU 85 HN LEU 85 154.579 2.884 -1.331 704 HA LEU 85 HA LEU 85 155.537 4.284 -3.649 705 1HB LEU 85 HB2 LEU 85 157.901 3.160 -3.187 706 2HB LEU 85 HB1 LEU 85 157.504 4.776 -2.630 707 HG LEU 85 HG LEU 85 156.796 2.654 -0.723 708 1HD1 LEU 85 HD11 LEU 85 159.686 3.153 -1.442 709 2HD1 LEU 85 HD12 LEU 85 158.810 1.627 -1.566 710 3HD1 LEU 85 HD13 LEU 85 159.136 2.331 0.018 711 1HD2 LEU 85 HD21 LEU 85 158.668 4.809 -0.007 712 2HD2 LEU 85 HD22 LEU 85 157.176 4.293 0.781 713 3HD2 LEU 85 HD23 LEU 85 157.114 5.351 -0.628 714 H ARG 86 HN ARG 86 156.654 1.305 -2.076 715 HA ARG 86 HA ARG 86 157.224 -0.447 -3.825 716 1HB ARG 86 HB2 ARG 86 155.780 -0.663 -1.376 717 2HB ARG 86 HB1 ARG 86 155.186 -1.883 -2.494 718 1HG ARG 86 HG2 ARG 86 157.634 -2.476 -2.883 719 2HG ARG 86 HG1 ARG 86 157.971 -1.501 -1.452 720 1HD ARG 86 HD2 ARG 86 157.081 -3.025 -0.043 721 2HD ARG 86 HD1 ARG 86 155.806 -3.478 -1.172 722 HE ARG 86 HE ARG 86 158.033 -4.510 -2.307 723 1HH1 ARG 86 HH11 ARG 86 156.645 -4.754 0.886 724 2HH1 ARG 86 HH12 ARG 86 157.265 -6.345 1.169 725 1HH2 ARG 86 HH21 ARG 86 158.848 -6.605 -1.936 726 2HH2 ARG 86 HH22 ARG 86 158.517 -7.396 -0.432 727 H PHE 87 HN PHE 87 156.443 0.284 -5.885 728 HA PHE 87 HA PHE 87 153.751 -0.687 -6.531 729 1HB PHE 87 HB2 PHE 87 155.212 1.682 -7.329 730 2HB PHE 87 HB1 PHE 87 154.682 0.762 -8.731 731 HD1 PHE 87 HD1 PHE 87 153.711 3.004 -6.113 732 HD2 PHE 87 HD2 PHE 87 152.234 0.186 -8.940 733 HE1 PHE 87 HE1 PHE 87 151.456 3.954 -5.876 734 HE2 PHE 87 HE2 PHE 87 149.977 1.134 -8.710 735 HZ PHE 87 HZ PHE 87 149.584 3.021 -7.176 736 H ASN 88 HN ASN 88 153.795 -2.682 -7.314 737 HA ASN 88 HA ASN 88 155.518 -3.269 -9.574 738 1HB ASN 88 HB2 ASN 88 155.662 -5.048 -7.137 739 2HB ASN 88 HB1 ASN 88 156.593 -5.195 -8.623 740 1HD2 ASN 88 HD21 ASN 88 156.387 -3.777 -5.541 741 2HD2 ASN 88 HD22 ASN 88 157.825 -2.823 -5.623 742 H GLY 89 HN GLY 89 155.092 -5.484 -10.454 743 1HA GLY 89 HA2 GLY 89 153.216 -7.288 -9.928 744 2HA GLY 89 HA1 GLY 89 152.216 -5.936 -10.435 745 HA PRO 90 HA PRO 90 154.567 -7.176 -14.383 746 1HB PRO 90 HB2 PRO 90 156.558 -8.952 -14.332 747 2HB PRO 90 HB1 PRO 90 156.816 -7.281 -13.815 748 1HG PRO 90 HG2 PRO 90 156.419 -9.738 -12.159 749 2HG PRO 90 HG1 PRO 90 157.530 -8.381 -11.903 750 1HD PRO 90 HD2 PRO 90 155.083 -8.691 -10.640 751 2HD PRO 90 HD1 PRO 90 155.949 -7.154 -10.815 752 H VAL 91 HN VAL 91 153.497 -8.424 -15.792 753 HA VAL 91 HA VAL 91 152.726 -11.141 -14.942 754 HB VAL 91 HB VAL 91 151.211 -9.380 -16.870 755 1HG1 VAL 91 HG11 VAL 91 149.533 -11.018 -16.859 756 2HG1 VAL 91 HG12 VAL 91 150.216 -11.833 -15.451 757 3HG1 VAL 91 HG13 VAL 91 151.040 -11.923 -17.009 758 1HG2 VAL 91 HG21 VAL 91 150.944 -8.287 -14.823 759 2HG2 VAL 91 HG22 VAL 91 150.907 -9.799 -13.915 760 3HG2 VAL 91 HG23 VAL 91 149.534 -9.343 -14.924 Start of MODEL 17 1 1H GLY 1 HT1 GLY 1 155.306 -5.728 16.057 2 2H GLY 1 HT2 GLY 1 155.989 -5.741 14.509 3 3H GLY 1 HT3 GLY 1 155.211 -7.121 15.102 4 1HA GLY 1 HA1 GLY 1 153.564 -4.751 15.087 5 2HA GLY 1 HA2 GLY 1 154.071 -5.288 13.493 6 H GLU 2 HN GLU 2 151.463 -5.351 13.895 7 HA GLU 2 HA GLU 2 150.885 -8.199 13.926 8 1HB GLU 2 HB2 GLU 2 149.884 -6.267 15.954 9 2HB GLU 2 HB1 GLU 2 148.745 -7.459 15.345 10 1HG GLU 2 HG2 GLU 2 151.401 -8.434 16.216 11 2HG GLU 2 HG1 GLU 2 150.276 -7.897 17.463 12 H TRP 3 HN TRP 3 149.690 -8.646 12.203 13 HA TRP 3 HA TRP 3 148.655 -6.700 10.477 14 1HB TRP 3 HB2 TRP 3 147.780 -9.589 10.663 15 2HB TRP 3 HB1 TRP 3 147.641 -8.533 9.262 16 HD1 TRP 3 HD1 TRP 3 149.979 -7.881 8.002 17 HE1 TRP 3 HE1 TRP 3 152.182 -9.198 7.812 18 HE3 TRP 3 HE3 TRP 3 149.294 -11.171 11.854 19 HZ2 TRP 3 HZ2 TRP 3 153.461 -11.347 9.123 20 HZ3 TRP 3 HZ3 TRP 3 151.054 -12.825 12.321 21 HH2 TRP 3 HH2 TRP 3 153.095 -12.910 10.981 22 H GLU 4 HN GLU 4 146.544 -6.014 10.039 23 HA GLU 4 HA GLU 4 144.441 -6.803 11.904 24 1HB GLU 4 HB2 GLU 4 145.604 -4.051 11.668 25 2HB GLU 4 HB1 GLU 4 143.906 -4.250 12.079 26 1HG GLU 4 HG2 GLU 4 145.013 -5.956 13.836 27 2HG GLU 4 HG1 GLU 4 146.321 -4.785 13.674 28 H ILE 5 HN ILE 5 144.343 -7.662 9.422 29 HA ILE 5 HA ILE 5 143.373 -6.054 7.402 30 HB ILE 5 HB ILE 5 144.002 -8.415 7.091 31 1HG1 ILE 5 HG12 ILE 5 141.869 -9.026 5.698 32 2HG1 ILE 5 HG11 ILE 5 141.335 -7.411 6.156 33 1HG2 ILE 5 HG21 ILE 5 141.421 -9.539 7.818 34 2HG2 ILE 5 HG22 ILE 5 142.305 -8.901 9.204 35 3HG2 ILE 5 HG23 ILE 5 143.049 -10.119 8.168 36 1HD1 ILE 5 HD11 ILE 5 142.406 -7.429 3.969 37 2HD1 ILE 5 HD12 ILE 5 143.883 -8.062 4.696 38 3HD1 ILE 5 HD13 ILE 5 143.312 -6.450 5.124 39 H ILE 6 HN ILE 6 141.401 -5.230 6.842 40 HA ILE 6 HA ILE 6 139.301 -5.420 8.888 41 HB ILE 6 HB ILE 6 139.543 -3.361 6.695 42 1HG1 ILE 6 HG12 ILE 6 140.260 -3.050 9.615 43 2HG1 ILE 6 HG11 ILE 6 141.444 -3.336 8.343 44 1HG2 ILE 6 HG21 ILE 6 138.053 -2.797 9.168 45 2HG2 ILE 6 HG22 ILE 6 137.341 -4.016 8.110 46 3HG2 ILE 6 HG23 ILE 6 137.672 -2.397 7.494 47 1HD1 ILE 6 HD11 ILE 6 141.572 -1.149 8.066 48 2HD1 ILE 6 HD12 ILE 6 140.235 -0.883 9.185 49 3HD1 ILE 6 HD13 ILE 6 139.911 -1.168 7.476 50 H GLU 7 HN GLU 7 139.248 -4.752 5.384 51 HA GLU 7 HA GLU 7 137.463 -7.019 4.975 52 1HB GLU 7 HB2 GLU 7 136.709 -4.152 4.420 53 2HB GLU 7 HB1 GLU 7 135.892 -5.514 3.668 54 1HG GLU 7 HG2 GLU 7 136.135 -5.368 6.639 55 2HG GLU 7 HG1 GLU 7 134.900 -4.431 5.799 56 H ILE 8 HN ILE 8 136.748 -6.854 2.468 57 HA ILE 8 HA ILE 8 139.262 -6.467 0.981 58 HB ILE 8 HB ILE 8 137.025 -8.360 0.265 59 1HG1 ILE 8 HG12 ILE 8 139.613 -9.462 1.143 60 2HG1 ILE 8 HG11 ILE 8 138.688 -8.667 2.414 61 1HG2 ILE 8 HG21 ILE 8 139.732 -7.781 -0.875 62 2HG2 ILE 8 HG22 ILE 8 138.177 -7.902 -1.698 63 3HG2 ILE 8 HG23 ILE 8 138.974 -9.357 -1.102 64 1HD1 ILE 8 HD11 ILE 8 136.805 -10.119 1.997 65 2HD1 ILE 8 HD12 ILE 8 138.259 -11.076 2.288 66 3HD1 ILE 8 HD13 ILE 8 137.653 -10.870 0.645 67 H GLY 9 HN GLY 9 136.336 -5.046 1.423 68 1HA GLY 9 HA2 GLY 9 135.809 -4.449 -1.384 69 2HA GLY 9 HA1 GLY 9 134.830 -3.949 -0.012 70 HA PRO 10 HA PRO 10 136.567 0.091 -0.444 71 1HB PRO 10 HB2 PRO 10 136.325 1.002 2.114 72 2HB PRO 10 HB1 PRO 10 134.961 0.869 0.998 73 1HG PRO 10 HG2 PRO 10 135.814 -0.997 3.179 74 2HG PRO 10 HG1 PRO 10 134.183 -0.455 2.742 75 1HD PRO 10 HD2 PRO 10 135.143 -2.868 2.007 76 2HD PRO 10 HD1 PRO 10 134.021 -1.947 0.985 77 H PHE 11 HN PHE 11 137.643 -1.804 2.356 78 HA PHE 11 HA PHE 11 139.895 -0.465 3.119 79 1HB PHE 11 HB2 PHE 11 139.157 -2.390 4.345 80 2HB PHE 11 HB1 PHE 11 139.401 -3.441 2.956 81 HD1 PHE 11 HD1 PHE 11 141.775 -3.805 2.138 82 HD2 PHE 11 HD2 PHE 11 140.858 -2.044 5.902 83 HE1 PHE 11 HE1 PHE 11 144.044 -4.327 2.931 84 HE2 PHE 11 HE2 PHE 11 143.129 -2.560 6.700 85 HZ PHE 11 HZ PHE 11 144.724 -3.703 5.213 86 H THR 12 HN THR 12 139.423 -2.354 0.235 87 HA THR 12 HA THR 12 142.248 -2.357 -0.437 88 HB THR 12 HB THR 12 140.832 -3.240 -2.654 89 HG1 THR 12 HG1 THR 12 139.305 -4.686 -1.743 90 1HG2 THR 12 HG21 THR 12 142.475 -4.704 -2.219 91 2HG2 THR 12 HG22 THR 12 141.198 -5.568 -1.364 92 3HG2 THR 12 HG23 THR 12 142.312 -4.530 -0.472 93 H GLN 13 HN GLN 13 139.250 -1.175 -1.970 94 HA GLN 13 HA GLN 13 140.417 0.273 -4.024 95 1HB GLN 13 HB2 GLN 13 138.016 -0.181 -3.901 96 2HB GLN 13 HB1 GLN 13 137.870 0.896 -2.518 97 1HG GLN 13 HG2 GLN 13 138.207 2.799 -3.808 98 2HG GLN 13 HG1 GLN 13 138.928 1.889 -5.134 99 1HE2 GLN 13 HE21 GLN 13 137.281 0.050 -5.858 100 2HE2 GLN 13 HE22 GLN 13 135.710 0.652 -6.247 101 H ASN 14 HN ASN 14 139.930 1.140 -0.667 102 HA ASN 14 HA ASN 14 140.286 3.857 -0.683 103 1HB ASN 14 HB2 ASN 14 140.385 1.775 1.239 104 2HB ASN 14 HB1 ASN 14 141.837 2.741 1.469 105 1HD2 ASN 14 HD21 ASN 14 138.330 2.987 1.132 106 2HD2 ASN 14 HD22 ASN 14 138.152 4.371 2.151 107 H LEU 15 HN LEU 15 142.953 1.593 -0.018 108 HA LEU 15 HA LEU 15 145.006 3.425 -0.328 109 1HB LEU 15 HB2 LEU 15 144.786 0.649 0.042 110 2HB LEU 15 HB1 LEU 15 145.784 0.860 -1.385 111 HG LEU 15 HG LEU 15 147.032 0.675 0.790 112 1HD1 LEU 15 HD11 LEU 15 147.608 3.339 -0.418 113 2HD1 LEU 15 HD12 LEU 15 147.745 1.888 -1.412 114 3HD1 LEU 15 HD13 LEU 15 148.716 2.051 0.050 115 1HD2 LEU 15 HD21 LEU 15 146.716 2.095 2.490 116 2HD2 LEU 15 HD22 LEU 15 145.187 2.478 1.703 117 3HD2 LEU 15 HD23 LEU 15 146.601 3.494 1.424 118 H GLY 16 HN GLY 16 143.004 1.890 -2.690 119 1HA GLY 16 HA2 GLY 16 144.610 2.176 -4.979 120 2HA GLY 16 HA1 GLY 16 142.851 2.128 -4.963 121 H LYS 17 HN LYS 17 142.436 4.411 -3.297 122 HA LYS 17 HA LYS 17 142.522 6.454 -5.266 123 1HB LYS 17 HB2 LYS 17 142.136 6.793 -2.284 124 2HB LYS 17 HB1 LYS 17 141.637 7.914 -3.545 125 1HG LYS 17 HG2 LYS 17 139.900 6.528 -4.256 126 2HG LYS 17 HG1 LYS 17 140.575 5.114 -3.445 127 1HD LYS 17 HD2 LYS 17 139.219 5.546 -1.733 128 2HD LYS 17 HD1 LYS 17 140.178 6.994 -1.419 129 1HE LYS 17 HE2 LYS 17 138.118 7.188 -3.535 130 2HE LYS 17 HE1 LYS 17 137.539 7.048 -1.875 131 1HZ LYS 17 HZ1 LYS 17 139.672 8.971 -2.329 132 2HZ LYS 17 HZ2 LYS 17 138.301 9.084 -1.344 133 3HZ LYS 17 HZ3 LYS 17 138.171 9.359 -3.007 134 H PHE 18 HN PHE 18 144.278 6.072 -2.193 135 HA PHE 18 HA PHE 18 146.046 8.247 -2.715 136 1HB PHE 18 HB2 PHE 18 145.684 6.235 -0.590 137 2HB PHE 18 HB1 PHE 18 147.336 6.804 -0.800 138 HD1 PHE 18 HD1 PHE 18 143.936 7.723 0.164 139 HD2 PHE 18 HD2 PHE 18 147.933 9.098 -0.332 140 HE1 PHE 18 HE1 PHE 18 143.399 9.743 1.464 141 HE2 PHE 18 HE2 PHE 18 147.403 11.119 0.968 142 HZ PHE 18 HZ PHE 18 145.134 11.443 1.869 143 H ALA 19 HN ALA 19 145.893 5.124 -3.916 144 HA ALA 19 HA ALA 19 148.650 4.489 -4.116 145 1HB ALA 19 HB1 ALA 19 147.550 2.576 -4.536 146 2HB ALA 19 HB2 ALA 19 147.520 3.152 -6.202 147 3HB ALA 19 HB3 ALA 19 146.128 3.413 -5.153 148 H VAL 20 HN VAL 20 146.389 5.437 -6.713 149 HA VAL 20 HA VAL 20 148.325 6.031 -8.621 150 HB VAL 20 HB VAL 20 145.940 5.806 -9.165 151 1HG1 VAL 20 HG11 VAL 20 145.644 8.487 -7.818 152 2HG1 VAL 20 HG12 VAL 20 144.992 6.952 -7.244 153 3HG1 VAL 20 HG13 VAL 20 144.392 7.660 -8.744 154 1HG2 VAL 20 HG21 VAL 20 145.782 7.681 -10.759 155 2HG2 VAL 20 HG22 VAL 20 147.374 6.922 -10.764 156 3HG2 VAL 20 HG23 VAL 20 147.136 8.464 -9.943 157 H ASP 21 HN ASP 21 146.908 8.038 -6.090 158 HA ASP 21 HA ASP 21 148.076 10.484 -6.909 159 1HB ASP 21 HB2 ASP 21 146.852 9.459 -4.377 160 2HB ASP 21 HB1 ASP 21 147.751 10.974 -4.336 161 H GLU 22 HN GLU 22 149.349 7.706 -5.328 162 HA GLU 22 HA GLU 22 151.738 9.182 -4.473 163 1HB GLU 22 HB2 GLU 22 150.689 6.456 -3.720 164 2HB GLU 22 HB1 GLU 22 152.275 7.048 -3.240 165 1HG GLU 22 HG2 GLU 22 149.745 8.523 -2.600 166 2HG GLU 22 HG1 GLU 22 150.404 7.269 -1.554 167 H GLU 23 HN GLU 23 150.589 7.033 -6.871 168 HA GLU 23 HA GLU 23 152.753 5.460 -7.510 169 1HB GLU 23 HB2 GLU 23 150.547 5.370 -8.633 170 2HB GLU 23 HB1 GLU 23 150.935 6.863 -9.476 171 1HG GLU 23 HG2 GLU 23 152.682 5.818 -10.699 172 2HG GLU 23 HG1 GLU 23 152.585 4.363 -9.709 173 H ASN 24 HN ASN 24 152.385 8.886 -7.910 174 HA ASN 24 HA ASN 24 154.536 9.209 -9.775 175 1HB ASN 24 HB2 ASN 24 152.795 11.040 -8.185 176 2HB ASN 24 HB1 ASN 24 154.294 11.678 -8.851 177 1HD2 ASN 24 HD21 ASN 24 151.712 9.507 -9.960 178 2HD2 ASN 24 HD22 ASN 24 151.465 10.299 -11.475 179 H LYS 25 HN LYS 25 154.307 8.911 -6.339 180 HA LYS 25 HA LYS 25 156.692 10.278 -5.650 181 1HB LYS 25 HB2 LYS 25 154.718 8.613 -4.298 182 2HB LYS 25 HB1 LYS 25 156.346 8.336 -3.699 183 1HG LYS 25 HG2 LYS 25 156.518 10.864 -3.477 184 2HG LYS 25 HG1 LYS 25 154.770 10.887 -3.713 185 1HD LYS 25 HD2 LYS 25 154.396 10.226 -1.614 186 2HD LYS 25 HD1 LYS 25 155.564 8.910 -1.748 187 1HE LYS 25 HE2 LYS 25 156.861 11.497 -1.608 188 2HE LYS 25 HE1 LYS 25 155.816 11.214 -0.217 189 1HZ LYS 25 HZ1 LYS 25 158.260 9.845 -1.014 190 2HZ LYS 25 HZ2 LYS 25 157.047 8.882 -0.337 191 3HZ LYS 25 HZ3 LYS 25 157.668 10.193 0.533 192 H ILE 26 HN ILE 26 156.258 6.781 -5.171 193 HA ILE 26 HA ILE 26 158.904 6.085 -5.160 194 HB ILE 26 HB ILE 26 156.903 4.609 -4.670 195 1HG1 ILE 26 HG12 ILE 26 159.367 3.913 -4.812 196 2HG1 ILE 26 HG11 ILE 26 158.162 2.636 -4.912 197 1HG2 ILE 26 HG21 ILE 26 156.053 3.207 -6.464 198 2HG2 ILE 26 HG22 ILE 26 157.045 4.077 -7.633 199 3HG2 ILE 26 HG23 ILE 26 155.737 4.911 -6.794 200 1HD1 ILE 26 HD11 ILE 26 159.867 3.778 -7.093 201 2HD1 ILE 26 HD12 ILE 26 158.413 2.845 -7.445 202 3HD1 ILE 26 HD13 ILE 26 159.738 2.109 -6.543 203 H GLY 27 HN GLY 27 156.787 6.267 -8.012 204 1HA GLY 27 HA2 GLY 27 159.084 5.729 -9.746 205 2HA GLY 27 HA1 GLY 27 157.401 5.784 -10.246 206 H GLN 28 HN GLN 28 158.757 7.050 -11.958 207 HA GLN 28 HA GLN 28 158.981 9.869 -11.163 208 1HB GLN 28 HB2 GLN 28 160.032 8.448 -13.617 209 2HB GLN 28 HB1 GLN 28 160.257 10.155 -13.261 210 1HG GLN 28 HG2 GLN 28 161.164 8.852 -10.988 211 2HG GLN 28 HG1 GLN 28 161.737 7.860 -12.326 212 1HE2 GLN 28 HE21 GLN 28 162.533 9.363 -14.227 213 2HE2 GLN 28 HE22 GLN 28 163.677 10.562 -13.738 214 H TYR 29 HN TYR 29 157.347 7.676 -13.349 215 HA TYR 29 HA TYR 29 155.492 9.839 -14.042 216 1HB TYR 29 HB2 TYR 29 157.235 8.368 -15.872 217 2HB TYR 29 HB1 TYR 29 155.538 8.296 -16.338 218 HD1 TYR 29 HD1 TYR 29 154.503 10.128 -17.384 219 HD2 TYR 29 HD2 TYR 29 158.289 10.650 -15.515 220 HE1 TYR 29 HE1 TYR 29 154.676 12.372 -18.375 221 HE2 TYR 29 HE2 TYR 29 158.472 12.896 -16.498 222 HH TYR 29 HH TYR 29 155.831 14.464 -18.002 223 H GLY 30 HN GLY 30 153.710 9.165 -13.003 224 1HA GLY 30 HA2 GLY 30 153.024 6.345 -12.908 225 2HA GLY 30 HA1 GLY 30 152.164 7.656 -12.115 226 H ARG 31 HN ARG 31 150.361 6.229 -12.995 227 HA ARG 31 HA ARG 31 149.248 7.545 -15.282 228 1HB ARG 31 HB2 ARG 31 150.552 4.941 -15.588 229 2HB ARG 31 HB1 ARG 31 148.888 4.952 -16.153 230 1HG ARG 31 HG2 ARG 31 151.054 6.846 -17.039 231 2HG ARG 31 HG1 ARG 31 150.457 5.458 -17.948 232 1HD ARG 31 HD2 ARG 31 148.375 7.323 -17.056 233 2HD ARG 31 HD1 ARG 31 149.531 8.009 -18.199 234 HE ARG 31 HE ARG 31 148.672 5.503 -19.140 235 1HH1 ARG 31 HH11 ARG 31 147.474 8.745 -18.657 236 2HH1 ARG 31 HH12 ARG 31 146.317 8.643 -19.941 237 1HH2 ARG 31 HH21 ARG 31 147.150 5.367 -20.830 238 2HH2 ARG 31 HH22 ARG 31 146.133 6.725 -21.175 239 H LEU 32 HN LEU 32 147.184 5.944 -15.941 240 HA LEU 32 HA LEU 32 145.486 6.156 -13.670 241 1HB LEU 32 HB2 LEU 32 145.161 5.911 -16.441 242 2HB LEU 32 HB1 LEU 32 144.398 4.485 -15.766 243 HG LEU 32 HG LEU 32 143.739 7.356 -15.105 244 1HD1 LEU 32 HD11 LEU 32 141.745 5.440 -16.154 245 2HD1 LEU 32 HD12 LEU 32 142.965 6.025 -17.284 246 3HD1 LEU 32 HD13 LEU 32 141.921 7.171 -16.442 247 1HD2 LEU 32 HD21 LEU 32 141.882 6.328 -13.778 248 2HD2 LEU 32 HD22 LEU 32 143.493 6.094 -13.097 249 3HD2 LEU 32 HD23 LEU 32 142.699 4.775 -13.955 250 H THR 33 HN THR 33 144.610 4.595 -12.365 251 HA THR 33 HA THR 33 145.143 1.795 -12.816 252 HB THR 33 HB THR 33 146.109 2.634 -10.158 253 HG1 THR 33 HG1 THR 33 147.802 3.714 -10.795 254 1HG2 THR 33 HG21 THR 33 147.038 0.702 -12.252 255 2HG2 THR 33 HG22 THR 33 146.391 0.362 -10.647 256 3HG2 THR 33 HG23 THR 33 147.993 1.082 -10.818 257 H PHE 34 HN PHE 34 142.763 3.300 -12.610 258 HA PHE 34 HA PHE 34 141.711 2.546 -9.976 259 1HB PHE 34 HB2 PHE 34 141.286 4.808 -11.713 260 2HB PHE 34 HB1 PHE 34 139.754 4.013 -11.362 261 HD1 PHE 34 HD1 PHE 34 141.346 6.730 -10.441 262 HD2 PHE 34 HD2 PHE 34 140.100 3.081 -8.636 263 HE1 PHE 34 HE1 PHE 34 141.277 7.842 -8.248 264 HE2 PHE 34 HE2 PHE 34 140.028 4.188 -6.441 265 HZ PHE 34 HZ PHE 34 140.616 6.572 -6.243 266 H ASN 35 HN ASN 35 142.053 0.898 -12.636 267 HA ASN 35 HA ASN 35 139.488 0.228 -13.546 268 1HB ASN 35 HB2 ASN 35 142.160 -0.711 -13.928 269 2HB ASN 35 HB1 ASN 35 141.115 -2.101 -13.655 270 1HD2 ASN 35 HD21 ASN 35 140.919 0.996 -15.386 271 2HD2 ASN 35 HD22 ASN 35 140.304 0.326 -16.855 272 H LYS 36 HN LYS 36 141.458 -2.055 -11.672 273 HA LYS 36 HA LYS 36 139.162 -2.544 -9.912 274 1HB LYS 36 HB2 LYS 36 139.799 -4.249 -11.969 275 2HB LYS 36 HB1 LYS 36 140.669 -4.963 -10.618 276 1HG LYS 36 HG2 LYS 36 138.615 -5.097 -9.334 277 2HG LYS 36 HG1 LYS 36 137.728 -4.315 -10.644 278 1HD LYS 36 HD2 LYS 36 137.496 -6.243 -11.742 279 2HD LYS 36 HD1 LYS 36 139.218 -6.603 -11.600 280 1HE LYS 36 HE2 LYS 36 138.528 -7.149 -9.106 281 2HE LYS 36 HE1 LYS 36 136.952 -7.409 -9.851 282 1HZ LYS 36 HZ1 LYS 36 138.144 -9.466 -9.798 283 2HZ LYS 36 HZ2 LYS 36 139.491 -8.776 -10.554 284 3HZ LYS 36 HZ3 LYS 36 138.043 -8.958 -11.409 285 H VAL 37 HN VAL 37 140.275 -1.436 -8.274 286 HA VAL 37 HA VAL 37 142.882 -2.427 -7.455 287 HB VAL 37 HB VAL 37 141.172 -0.208 -6.328 288 1HG1 VAL 37 HG11 VAL 37 142.425 -0.635 -4.488 289 2HG1 VAL 37 HG12 VAL 37 143.603 0.334 -5.371 290 3HG1 VAL 37 HG13 VAL 37 143.708 -1.423 -5.407 291 1HG2 VAL 37 HG21 VAL 37 143.158 1.145 -7.284 292 2HG2 VAL 37 HG22 VAL 37 141.913 0.559 -8.387 293 3HG2 VAL 37 HG23 VAL 37 143.453 -0.291 -8.263 294 H ILE 38 HN ILE 38 142.764 -4.358 -6.418 295 HA ILE 38 HA ILE 38 141.576 -4.388 -3.830 296 HB ILE 38 HB ILE 38 140.232 -6.531 -4.333 297 1HG1 ILE 38 HG12 ILE 38 140.024 -5.296 -7.073 298 2HG1 ILE 38 HG11 ILE 38 141.185 -6.574 -6.728 299 1HG2 ILE 38 HG21 ILE 38 138.286 -5.301 -4.437 300 2HG2 ILE 38 HG22 ILE 38 138.983 -4.093 -5.516 301 3HG2 ILE 38 HG23 ILE 38 139.437 -4.121 -3.813 302 1HD1 ILE 38 HD11 ILE 38 138.853 -7.606 -5.736 303 2HD1 ILE 38 HD12 ILE 38 139.555 -7.966 -7.314 304 3HD1 ILE 38 HD13 ILE 38 138.315 -6.721 -7.164 305 H LYS 39 HN LYS 39 141.553 -7.547 -4.984 306 HA LYS 39 HA LYS 39 142.949 -9.318 -4.880 307 1HB LYS 39 HB2 LYS 39 144.997 -7.136 -4.964 308 2HB LYS 39 HB1 LYS 39 145.461 -8.819 -4.786 309 1HG LYS 39 HG2 LYS 39 143.606 -8.207 -6.994 310 2HG LYS 39 HG1 LYS 39 145.243 -7.568 -7.148 311 1HD LYS 39 HD2 LYS 39 146.143 -9.825 -6.776 312 2HD LYS 39 HD1 LYS 39 144.496 -10.452 -6.659 313 1HE LYS 39 HE2 LYS 39 145.035 -8.870 -9.070 314 2HE LYS 39 HE1 LYS 39 145.973 -10.357 -8.948 315 1HZ LYS 39 HZ1 LYS 39 143.043 -10.322 -8.548 316 2HZ LYS 39 HZ2 LYS 39 144.041 -11.647 -8.880 317 3HZ LYS 39 HZ3 LYS 39 143.732 -10.499 -10.083 318 HA PRO 40 HA PRO 40 143.498 -10.373 -0.665 319 1HB PRO 40 HB2 PRO 40 146.134 -11.561 -1.371 320 2HB PRO 40 HB1 PRO 40 144.747 -12.300 -0.563 321 1HG PRO 40 HG2 PRO 40 145.302 -12.876 -3.101 322 2HG PRO 40 HG1 PRO 40 143.625 -12.688 -2.556 323 1HD PRO 40 HD2 PRO 40 145.339 -10.799 -4.114 324 2HD PRO 40 HD1 PRO 40 143.603 -11.140 -4.270 325 H CYS 41 HN CYS 41 143.816 -8.153 -0.050 326 HA CYS 41 HA CYS 41 146.569 -7.244 0.257 327 1HB CYS 41 HB2 CYS 41 143.962 -5.848 0.872 328 2HB CYS 41 HB1 CYS 41 145.561 -5.110 0.922 329 HG CYS 41 HG CYS 41 144.056 -5.906 -1.659 330 H MET 42 HN MET 42 146.653 -5.767 2.431 331 HA MET 42 HA MET 42 145.494 -6.776 4.776 332 1HB MET 42 HB2 MET 42 147.833 -8.240 3.786 333 2HB MET 42 HB1 MET 42 148.004 -7.684 5.444 334 1HG MET 42 HG2 MET 42 145.555 -8.717 5.611 335 2HG MET 42 HG1 MET 42 146.185 -9.709 4.295 336 1HE MET 42 HE1 MET 42 145.951 -12.057 6.023 337 2HE MET 42 HE2 MET 42 147.661 -12.479 6.103 338 3HE MET 42 HE3 MET 42 146.998 -11.760 4.635 339 H LYS 43 HN LYS 43 146.470 -5.873 6.732 340 HA LYS 43 HA LYS 43 148.256 -3.597 6.180 341 1HB LYS 43 HB2 LYS 43 145.554 -3.471 6.989 342 2HB LYS 43 HB1 LYS 43 146.507 -3.052 8.406 343 1HG LYS 43 HG2 LYS 43 147.720 -1.596 6.428 344 2HG LYS 43 HG1 LYS 43 146.019 -1.548 5.959 345 1HD LYS 43 HD2 LYS 43 145.879 0.163 7.405 346 2HD LYS 43 HD1 LYS 43 145.867 -1.092 8.644 347 1HE LYS 43 HE2 LYS 43 148.557 -0.711 8.079 348 2HE LYS 43 HE1 LYS 43 147.875 0.915 8.048 349 1HZ LYS 43 HZ1 LYS 43 147.194 0.758 10.242 350 2HZ LYS 43 HZ2 LYS 43 148.696 -0.018 10.268 351 3HZ LYS 43 HZ3 LYS 43 147.273 -0.932 10.268 352 H LYS 44 HN LYS 44 149.328 -2.767 8.206 353 HA LYS 44 HA LYS 44 149.566 -4.720 10.351 354 1HB LYS 44 HB2 LYS 44 151.230 -5.274 8.483 355 2HB LYS 44 HB1 LYS 44 152.062 -3.796 8.944 356 1HG LYS 44 HG2 LYS 44 152.912 -4.701 10.818 357 2HG LYS 44 HG1 LYS 44 151.455 -5.639 11.153 358 1HD LYS 44 HD2 LYS 44 152.250 -7.459 10.107 359 2HD LYS 44 HD1 LYS 44 152.907 -6.516 8.767 360 1HE LYS 44 HE2 LYS 44 154.863 -5.960 10.046 361 2HE LYS 44 HE1 LYS 44 154.186 -6.712 11.489 362 1HZ LYS 44 HZ1 LYS 44 155.480 -8.406 10.769 363 2HZ LYS 44 HZ2 LYS 44 155.396 -7.952 9.143 364 3HZ LYS 44 HZ3 LYS 44 154.102 -8.772 9.859 365 H THR 45 HN THR 45 149.251 -3.509 12.099 366 HA THR 45 HA THR 45 150.274 -0.807 12.180 367 HB THR 45 HB THR 45 148.275 -2.203 13.951 368 HG1 THR 45 HG1 THR 45 147.817 -0.036 12.204 369 1HG2 THR 45 HG21 THR 45 149.590 -0.387 15.100 370 2HG2 THR 45 HG22 THR 45 147.839 -0.172 15.053 371 3HG2 THR 45 HG23 THR 45 148.869 0.736 13.946 372 H ILE 46 HN ILE 46 151.620 -0.059 13.815 373 HA ILE 46 HA ILE 46 152.608 -2.022 15.760 374 HB ILE 46 HB ILE 46 154.444 -0.360 14.030 375 1HG1 ILE 46 HG12 ILE 46 155.183 -2.889 13.535 376 2HG1 ILE 46 HG11 ILE 46 153.477 -3.167 13.874 377 1HG2 ILE 46 HG21 ILE 46 155.126 -2.450 16.093 378 2HG2 ILE 46 HG22 ILE 46 155.222 -0.709 16.354 379 3HG2 ILE 46 HG23 ILE 46 156.259 -1.479 15.152 380 1HD1 ILE 46 HD11 ILE 46 154.297 -2.702 11.448 381 2HD1 ILE 46 HD12 ILE 46 154.244 -1.017 11.970 382 3HD1 ILE 46 HD13 ILE 46 152.784 -2.007 12.029 383 H TYR 47 HN TYR 47 151.296 -0.682 17.174 384 HA TYR 47 HA TYR 47 152.367 1.987 17.704 385 1HB TYR 47 HB2 TYR 47 150.350 2.539 18.674 386 2HB TYR 47 HB1 TYR 47 149.822 1.338 17.503 387 HD1 TYR 47 HD1 TYR 47 150.403 -1.199 18.779 388 HD2 TYR 47 HD2 TYR 47 148.960 2.410 20.513 389 HE1 TYR 47 HE1 TYR 47 149.357 -2.492 20.588 390 HE2 TYR 47 HE2 TYR 47 147.911 1.124 22.327 391 HH TYR 47 HH TYR 47 148.563 -2.206 22.837 392 H GLU 48 HN GLU 48 153.164 2.629 19.693 393 HA GLU 48 HA GLU 48 154.450 0.569 21.208 394 1HB GLU 48 HB2 GLU 48 155.626 2.645 20.767 395 2HB GLU 48 HB1 GLU 48 154.374 3.555 21.599 396 1HG GLU 48 HG2 GLU 48 155.909 3.453 23.259 397 2HG GLU 48 HG1 GLU 48 155.050 1.951 23.592 398 H ASN 49 HN ASN 49 152.752 3.309 22.534 399 HA ASN 49 HA ASN 49 150.712 1.835 23.835 400 1HB ASN 49 HB2 ASN 49 153.244 1.835 25.143 401 2HB ASN 49 HB1 ASN 49 152.156 2.852 26.082 402 1HD2 ASN 49 HD21 ASN 49 152.756 -0.350 24.863 403 2HD2 ASN 49 HD22 ASN 49 151.632 -1.168 25.887 404 H GLU 50 HN GLU 50 152.794 4.651 24.505 405 HA GLU 50 HA GLU 50 150.376 6.282 24.842 406 1HB GLU 50 HB2 GLU 50 153.169 6.460 25.877 407 2HB GLU 50 HB1 GLU 50 152.277 7.958 25.643 408 1HG GLU 50 HG2 GLU 50 150.699 7.421 27.250 409 2HG GLU 50 HG1 GLU 50 151.065 5.698 27.177 410 H ARG 51 HN ARG 51 151.195 5.495 22.240 411 HA ARG 51 HA ARG 51 151.391 6.391 20.159 412 1HB ARG 51 HB2 ARG 51 150.181 8.380 21.626 413 2HB ARG 51 HB1 ARG 51 151.582 9.208 20.961 414 1HG ARG 51 HG2 ARG 51 149.658 9.477 19.516 415 2HG ARG 51 HG1 ARG 51 150.912 8.534 18.708 416 1HD ARG 51 HD2 ARG 51 149.703 6.584 18.811 417 2HD ARG 51 HD1 ARG 51 148.791 7.098 20.230 418 HE ARG 51 HE ARG 51 148.124 7.566 17.472 419 1HH1 ARG 51 HH11 ARG 51 147.679 8.664 20.754 420 2HH1 ARG 51 HH12 ARG 51 146.175 9.453 20.419 421 1HH2 ARG 51 HH21 ARG 51 146.147 8.604 17.029 422 2HH2 ARG 51 HH22 ARG 51 145.305 9.420 18.303 423 H GLU 52 HN GLU 52 153.668 5.461 21.173 424 HA GLU 52 HA GLU 52 155.715 7.514 20.906 425 1HB GLU 52 HB2 GLU 52 155.498 5.259 22.513 426 2HB GLU 52 HB1 GLU 52 156.705 4.815 21.314 427 1HG GLU 52 HG2 GLU 52 158.085 6.659 21.909 428 2HG GLU 52 HG1 GLU 52 156.825 7.346 22.932 429 H ILE 53 HN ILE 53 154.236 5.086 19.051 430 HA ILE 53 HA ILE 53 156.101 5.608 16.892 431 HB ILE 53 HB ILE 53 157.126 3.648 17.571 432 1HG1 ILE 53 HG12 ILE 53 155.038 2.683 15.613 433 2HG1 ILE 53 HG11 ILE 53 156.477 3.594 15.178 434 1HG2 ILE 53 HG21 ILE 53 156.243 2.081 18.871 435 2HG2 ILE 53 HG22 ILE 53 154.874 1.826 17.791 436 3HG2 ILE 53 HG23 ILE 53 154.834 3.133 18.971 437 1HD1 ILE 53 HD11 ILE 53 156.432 0.869 16.451 438 2HD1 ILE 53 HD12 ILE 53 157.876 1.779 16.009 439 3HD1 ILE 53 HD13 ILE 53 156.765 1.222 14.755 440 H LYS 54 HN LYS 54 153.607 3.188 17.189 441 HA LYS 54 HA LYS 54 151.630 2.849 16.110 442 1HB LYS 54 HB2 LYS 54 151.380 5.337 16.924 443 2HB LYS 54 HB1 LYS 54 151.545 5.700 15.213 444 1HG LYS 54 HG2 LYS 54 149.352 5.395 15.065 445 2HG LYS 54 HG1 LYS 54 149.675 3.671 15.263 446 1HD LYS 54 HD2 LYS 54 149.626 4.210 17.800 447 2HD LYS 54 HD1 LYS 54 148.785 5.678 17.300 448 1HE LYS 54 HE2 LYS 54 146.909 4.561 16.710 449 2HE LYS 54 HE1 LYS 54 147.801 3.156 16.129 450 1HZ LYS 54 HZ1 LYS 54 148.271 2.935 18.710 451 2HZ LYS 54 HZ2 LYS 54 146.899 2.263 17.985 452 3HZ LYS 54 HZ3 LYS 54 146.786 3.741 18.799 453 H GLY 55 HN GLY 55 153.553 1.888 14.712 454 1HA GLY 55 HA2 GLY 55 153.829 3.118 12.115 455 2HA GLY 55 HA1 GLY 55 154.530 1.594 12.623 456 H TYR 56 HN TYR 56 152.008 3.111 10.907 457 HA TYR 56 HA TYR 56 150.556 0.569 10.695 458 1HB TYR 56 HB2 TYR 56 148.841 2.079 9.479 459 2HB TYR 56 HB1 TYR 56 148.988 2.216 11.226 460 HD1 TYR 56 HD1 TYR 56 149.307 3.921 8.053 461 HD2 TYR 56 HD2 TYR 56 150.221 4.159 12.201 462 HE1 TYR 56 HE1 TYR 56 149.690 6.338 7.825 463 HE2 TYR 56 HE2 TYR 56 150.609 6.576 11.985 464 HH TYR 56 HH TYR 56 149.637 8.361 9.324 465 H GLU 57 HN GLU 57 151.537 -0.625 9.165 466 HA GLU 57 HA GLU 57 152.343 0.632 6.655 467 1HB GLU 57 HB2 GLU 57 153.979 -0.846 7.669 468 2HB GLU 57 HB1 GLU 57 152.805 -2.152 7.735 469 1HG GLU 57 HG2 GLU 57 152.735 -1.770 5.132 470 2HG GLU 57 HG1 GLU 57 154.330 -1.082 5.424 471 H TYR 58 HN TYR 58 151.205 0.461 4.843 472 HA TYR 58 HA TYR 58 148.900 -1.381 4.856 473 1HB TYR 58 HB2 TYR 58 148.869 1.346 4.605 474 2HB TYR 58 HB1 TYR 58 148.831 0.828 2.924 475 HD1 TYR 58 HD1 TYR 58 147.088 -1.145 2.460 476 HD2 TYR 58 HD2 TYR 58 146.858 1.616 5.688 477 HE1 TYR 58 HE1 TYR 58 144.673 -1.570 2.643 478 HE2 TYR 58 HE2 TYR 58 144.443 1.197 5.881 479 HH TYR 58 HH TYR 58 142.668 -0.452 3.502 480 H GLN 59 HN GLN 59 148.369 -2.539 3.021 481 HA GLN 59 HA GLN 59 150.248 -2.463 0.770 482 1HB GLN 59 HB2 GLN 59 149.346 -5.076 1.971 483 2HB GLN 59 HB1 GLN 59 150.611 -4.807 0.777 484 1HG GLN 59 HG2 GLN 59 152.060 -3.864 2.394 485 2HG GLN 59 HG1 GLN 59 150.769 -3.768 3.591 486 1HE2 GLN 59 HE21 GLN 59 152.561 -6.097 1.622 487 2HE2 GLN 59 HE22 GLN 59 152.558 -7.362 2.800 488 H LEU 60 HN LEU 60 149.073 -2.139 -1.016 489 HA LEU 60 HA LEU 60 146.519 -3.503 -1.275 490 1HB LEU 60 HB2 LEU 60 146.861 -0.747 -0.978 491 2HB LEU 60 HB1 LEU 60 146.538 -0.984 -2.682 492 HG LEU 60 HG LEU 60 144.463 -0.517 -1.613 493 1HD1 LEU 60 HD11 LEU 60 143.580 -3.123 -1.705 494 2HD1 LEU 60 HD12 LEU 60 144.959 -3.094 -2.799 495 3HD1 LEU 60 HD13 LEU 60 143.619 -1.973 -3.037 496 1HD2 LEU 60 HD21 LEU 60 143.782 -1.262 0.407 497 2HD2 LEU 60 HD22 LEU 60 145.513 -1.497 0.648 498 3HD2 LEU 60 HD23 LEU 60 144.496 -2.860 0.181 499 H TYR 61 HN TYR 61 146.119 -4.457 -3.268 500 HA TYR 61 HA TYR 61 148.237 -4.077 -5.277 501 1HB TYR 61 HB2 TYR 61 146.363 -6.399 -4.830 502 2HB TYR 61 HB1 TYR 61 147.506 -6.291 -6.160 503 HD1 TYR 61 HD1 TYR 61 147.525 -5.948 -2.433 504 HD2 TYR 61 HD2 TYR 61 149.474 -7.458 -5.900 505 HE1 TYR 61 HE1 TYR 61 149.248 -6.974 -1.010 506 HE2 TYR 61 HE2 TYR 61 151.202 -8.488 -4.487 507 HH TYR 61 HH TYR 61 151.235 -9.324 -1.932 508 H VAL 62 HN VAL 62 147.317 -2.241 -6.210 509 HA VAL 62 HA VAL 62 144.627 -2.064 -7.038 510 HB VAL 62 HB VAL 62 145.410 -0.172 -8.467 511 1HG1 VAL 62 HG11 VAL 62 146.708 0.758 -6.153 512 2HG1 VAL 62 HG12 VAL 62 145.504 -0.412 -5.612 513 3HG1 VAL 62 HG13 VAL 62 145.014 0.963 -6.601 514 1HG2 VAL 62 HG21 VAL 62 147.828 -1.467 -8.405 515 2HG2 VAL 62 HG22 VAL 62 148.082 -0.113 -7.309 516 3HG2 VAL 62 HG23 VAL 62 147.558 0.179 -8.967 517 H TYR 63 HN TYR 63 144.256 -4.099 -8.117 518 HA TYR 63 HA TYR 63 145.706 -4.803 -10.467 519 1HB TYR 63 HB2 TYR 63 144.349 -6.396 -9.040 520 2HB TYR 63 HB1 TYR 63 142.906 -5.702 -9.770 521 HD1 TYR 63 HD1 TYR 63 145.996 -7.606 -10.485 522 HD2 TYR 63 HD2 TYR 63 142.201 -6.346 -11.942 523 HE1 TYR 63 HE1 TYR 63 146.215 -9.157 -12.381 524 HE2 TYR 63 HE2 TYR 63 142.410 -7.895 -13.841 525 HH TYR 63 HH TYR 63 145.315 -9.378 -14.688 526 H ALA 64 HN ALA 64 145.669 -2.686 -11.483 527 HA ALA 64 HA ALA 64 143.194 -1.655 -12.512 528 1HB ALA 64 HB1 ALA 64 144.913 -0.093 -11.965 529 2HB ALA 64 HB2 ALA 64 144.680 -0.052 -13.711 530 3HB ALA 64 HB3 ALA 64 146.063 -0.905 -13.027 531 H SER 65 HN SER 65 143.548 -0.918 -15.026 532 HA SER 65 HA SER 65 143.143 -3.329 -16.489 533 1HB SER 65 HB2 SER 65 142.618 -0.564 -16.868 534 2HB SER 65 HB1 SER 65 143.565 -1.108 -18.252 535 HG SER 65 HG SER 65 141.976 -2.394 -18.858 536 H ASP 66 HN ASP 66 145.739 -0.922 -16.390 537 HA ASP 66 HA ASP 66 147.298 -1.865 -18.451 538 1HB ASP 66 HB2 ASP 66 147.541 0.158 -16.667 539 2HB ASP 66 HB1 ASP 66 148.790 -0.942 -16.088 540 H LYS 67 HN LYS 67 147.227 -2.856 -15.117 541 HA LYS 67 HA LYS 67 147.877 -5.519 -15.562 542 1HB LYS 67 HB2 LYS 67 150.197 -3.720 -15.402 543 2HB LYS 67 HB1 LYS 67 150.278 -5.103 -14.319 544 1HG LYS 67 HG2 LYS 67 149.507 -6.314 -16.605 545 2HG LYS 67 HG1 LYS 67 150.463 -4.976 -17.247 546 1HD LYS 67 HD2 LYS 67 151.695 -6.357 -14.974 547 2HD LYS 67 HD1 LYS 67 151.478 -7.366 -16.405 548 1HE LYS 67 HE2 LYS 67 152.695 -5.792 -17.759 549 2HE LYS 67 HE1 LYS 67 152.794 -4.654 -16.417 550 1HZ LYS 67 HZ1 LYS 67 154.358 -7.042 -16.940 551 2HZ LYS 67 HZ2 LYS 67 153.913 -6.804 -15.324 552 3HZ LYS 67 HZ3 LYS 67 154.793 -5.614 -16.143 553 H LEU 68 HN LEU 68 149.112 -6.381 -13.376 554 HA LEU 68 HA LEU 68 147.265 -5.655 -11.266 555 1HB LEU 68 HB2 LEU 68 148.285 -7.557 -10.057 556 2HB LEU 68 HB1 LEU 68 147.645 -7.998 -11.627 557 HG LEU 68 HG LEU 68 150.511 -7.292 -11.585 558 1HD1 LEU 68 HD11 LEU 68 149.960 -10.050 -10.705 559 2HD1 LEU 68 HD12 LEU 68 149.756 -8.792 -9.486 560 3HD1 LEU 68 HD13 LEU 68 151.302 -8.976 -10.312 561 1HD2 LEU 68 HD21 LEU 68 150.586 -8.628 -13.399 562 2HD2 LEU 68 HD22 LEU 68 148.840 -8.373 -13.405 563 3HD2 LEU 68 HD23 LEU 68 149.515 -9.835 -12.689 564 H PHE 69 HN PHE 69 148.165 -3.483 -10.978 565 HA PHE 69 HA PHE 69 150.826 -3.194 -9.950 566 1HB PHE 69 HB2 PHE 69 148.485 -1.323 -10.236 567 2HB PHE 69 HB1 PHE 69 149.957 -0.833 -9.404 568 HD1 PHE 69 HD1 PHE 69 151.535 0.279 -10.635 569 HD2 PHE 69 HD2 PHE 69 148.940 -2.455 -12.607 570 HE1 PHE 69 HE1 PHE 69 152.551 0.879 -12.794 571 HE2 PHE 69 HE2 PHE 69 149.951 -1.861 -14.769 572 HZ PHE 69 HZ PHE 69 151.760 -0.193 -14.866 573 H ARG 70 HN ARG 70 151.193 -2.096 -7.797 574 HA ARG 70 HA ARG 70 149.269 -2.502 -5.750 575 1HB ARG 70 HB2 ARG 70 150.000 -4.790 -5.914 576 2HB ARG 70 HB1 ARG 70 151.688 -4.299 -5.897 577 1HG ARG 70 HG2 ARG 70 150.846 -3.263 -3.543 578 2HG ARG 70 HG1 ARG 70 149.802 -4.678 -3.678 579 1HD ARG 70 HD2 ARG 70 151.706 -5.444 -2.542 580 2HD ARG 70 HD1 ARG 70 151.922 -5.988 -4.205 581 HE ARG 70 HE ARG 70 153.150 -3.449 -3.629 582 1HH1 ARG 70 HH11 ARG 70 153.568 -6.916 -3.607 583 2HH1 ARG 70 HH12 ARG 70 155.295 -6.833 -3.689 584 1HH2 ARG 70 HH21 ARG 70 155.421 -3.342 -3.740 585 2HH2 ARG 70 HH22 ARG 70 156.348 -4.804 -3.765 586 H ALA 71 HN ALA 71 149.585 -1.074 -4.154 587 HA ALA 71 HA ALA 71 152.178 0.318 -4.058 588 1HB ALA 71 HB1 ALA 71 151.092 2.271 -3.438 589 2HB ALA 71 HB2 ALA 71 149.659 1.412 -2.874 590 3HB ALA 71 HB3 ALA 71 149.976 1.558 -4.602 591 H ASP 72 HN ASP 72 153.211 0.646 -2.012 592 HA ASP 72 HA ASP 72 151.910 -0.806 0.205 593 1HB ASP 72 HB2 ASP 72 154.132 -1.729 -1.113 594 2HB ASP 72 HB1 ASP 72 154.850 -0.853 0.236 595 H ILE 73 HN ILE 73 151.593 0.425 1.903 596 HA ILE 73 HA ILE 73 153.150 2.890 2.208 597 HB ILE 73 HB ILE 73 150.641 2.110 3.690 598 1HG1 ILE 73 HG12 ILE 73 150.916 3.859 1.236 599 2HG1 ILE 73 HG11 ILE 73 150.224 2.239 1.260 600 1HG2 ILE 73 HG21 ILE 73 152.265 4.616 3.477 601 2HG2 ILE 73 HG22 ILE 73 151.688 3.782 4.919 602 3HG2 ILE 73 HG23 ILE 73 150.555 4.676 3.906 603 1HD1 ILE 73 HD11 ILE 73 148.427 2.994 2.682 604 2HD1 ILE 73 HD12 ILE 73 148.517 3.993 1.231 605 3HD1 ILE 73 HD13 ILE 73 149.138 4.605 2.764 606 H SER 74 HN SER 74 153.810 3.512 4.374 607 HA SER 74 HA SER 74 153.872 1.650 6.509 608 1HB SER 74 HB2 SER 74 156.151 0.980 6.498 609 2HB SER 74 HB1 SER 74 155.587 0.713 4.850 610 HG SER 74 HG SER 74 156.452 2.963 4.512 611 H GLU 75 HN GLU 75 153.576 3.078 8.114 612 HA GLU 75 HA GLU 75 155.316 5.451 8.170 613 1HB GLU 75 HB2 GLU 75 152.599 5.517 9.411 614 2HB GLU 75 HB1 GLU 75 153.575 6.846 8.808 615 1HG GLU 75 HG2 GLU 75 153.137 5.527 6.513 616 2HG GLU 75 HG1 GLU 75 151.678 5.091 7.397 617 H ASP 76 HN ASP 76 156.777 4.257 9.540 618 HA ASP 76 HA ASP 76 155.684 3.782 12.197 619 1HB ASP 76 HB2 ASP 76 158.102 2.485 10.964 620 2HB ASP 76 HB1 ASP 76 157.446 2.134 12.557 621 H TYR 77 HN TYR 77 157.772 3.618 13.768 622 HA TYR 77 HA TYR 77 159.439 5.990 13.392 623 1HB TYR 77 HB2 TYR 77 157.480 6.701 14.724 624 2HB TYR 77 HB1 TYR 77 157.822 5.431 15.893 625 HD1 TYR 77 HD1 TYR 77 159.086 8.594 14.462 626 HD2 TYR 77 HD2 TYR 77 159.450 5.737 17.592 627 HE1 TYR 77 HE1 TYR 77 160.559 10.136 15.688 628 HE2 TYR 77 HE2 TYR 77 160.925 7.272 18.829 629 HH TYR 77 HH TYR 77 162.236 10.109 17.403 630 H LYS 78 HN LYS 78 161.242 6.037 15.020 631 HA LYS 78 HA LYS 78 162.909 5.056 16.259 632 1HB LYS 78 HB2 LYS 78 160.790 3.556 17.046 633 2HB LYS 78 HB1 LYS 78 161.746 2.329 16.227 634 1HG LYS 78 HG2 LYS 78 162.462 2.192 18.427 635 2HG LYS 78 HG1 LYS 78 163.699 3.193 17.663 636 1HD LYS 78 HD2 LYS 78 161.926 5.083 18.456 637 2HD LYS 78 HD1 LYS 78 161.713 3.875 19.725 638 1HE LYS 78 HE2 LYS 78 164.504 4.464 19.010 639 2HE LYS 78 HE1 LYS 78 163.621 5.803 19.741 640 1HZ LYS 78 HZ1 LYS 78 164.834 3.786 21.088 641 2HZ LYS 78 HZ2 LYS 78 163.212 3.309 21.101 642 3HZ LYS 78 HZ3 LYS 78 163.653 4.818 21.724 643 H THR 79 HN THR 79 163.722 5.486 14.022 644 HA THR 79 HA THR 79 165.234 4.854 12.414 645 HB THR 79 HB THR 79 164.840 1.954 13.133 646 HG1 THR 79 HG1 THR 79 165.350 2.661 15.088 647 1HG2 THR 79 HG21 THR 79 167.053 3.554 11.921 648 2HG2 THR 79 HG22 THR 79 166.285 2.080 11.332 649 3HG2 THR 79 HG23 THR 79 167.373 2.013 12.718 650 H ARG 80 HN ARG 80 162.336 4.995 12.223 651 HA ARG 80 HA ARG 80 161.811 3.272 9.950 652 1HB ARG 80 HB2 ARG 80 159.894 4.586 11.850 653 2HB ARG 80 HB1 ARG 80 159.433 3.610 10.464 654 1HG ARG 80 HG2 ARG 80 161.151 2.534 12.678 655 2HG ARG 80 HG1 ARG 80 159.389 2.486 12.740 656 1HD ARG 80 HD2 ARG 80 159.691 0.478 11.753 657 2HD ARG 80 HD1 ARG 80 159.787 1.460 10.291 658 HE ARG 80 HE ARG 80 161.984 0.876 10.104 659 1HH1 ARG 80 HH11 ARG 80 160.957 0.273 13.385 660 2HH1 ARG 80 HH12 ARG 80 162.446 -0.483 13.844 661 1HH2 ARG 80 HH21 ARG 80 163.944 -0.116 10.707 662 2HH2 ARG 80 HH22 ARG 80 164.143 -0.703 12.325 663 H GLY 81 HN GLY 81 159.890 4.365 8.679 664 1HA GLY 81 HA2 GLY 81 160.671 7.156 8.127 665 2HA GLY 81 HA1 GLY 81 160.337 6.002 6.838 666 H ARG 82 HN ARG 82 158.537 6.848 5.930 667 HA ARG 82 HA ARG 82 156.058 6.306 6.881 668 1HB ARG 82 HB2 ARG 82 156.234 7.764 8.733 669 2HB ARG 82 HB1 ARG 82 156.963 9.036 7.764 670 1HG ARG 82 HG2 ARG 82 154.924 9.643 6.814 671 2HG ARG 82 HG1 ARG 82 154.161 8.111 7.245 672 1HD ARG 82 HD2 ARG 82 153.767 8.754 9.398 673 2HD ARG 82 HD1 ARG 82 155.174 9.815 9.453 674 HE ARG 82 HE ARG 82 153.090 10.735 7.698 675 1HH1 ARG 82 HH11 ARG 82 154.283 10.736 10.979 676 2HH1 ARG 82 HH12 ARG 82 153.467 12.202 11.407 677 1HH2 ARG 82 HH21 ARG 82 152.018 12.663 8.260 678 2HH2 ARG 82 HH22 ARG 82 152.182 13.297 9.864 679 H LYS 83 HN LYS 83 155.280 6.027 4.882 680 HA LYS 83 HA LYS 83 154.335 8.025 3.282 681 1HB LYS 83 HB2 LYS 83 156.104 7.911 1.382 682 2HB LYS 83 HB1 LYS 83 156.363 8.995 2.741 683 1HG LYS 83 HG2 LYS 83 158.151 7.848 3.491 684 2HG LYS 83 HG1 LYS 83 157.470 6.284 3.045 685 1HD LYS 83 HD2 LYS 83 159.073 6.347 1.452 686 2HD LYS 83 HD1 LYS 83 157.884 7.331 0.597 687 1HE LYS 83 HE2 LYS 83 158.975 9.332 1.762 688 2HE LYS 83 HE1 LYS 83 160.294 8.228 2.151 689 1HZ LYS 83 HZ1 LYS 83 160.188 9.674 -0.080 690 2HZ LYS 83 HZ2 LYS 83 159.449 8.255 -0.626 691 3HZ LYS 83 HZ3 LYS 83 161.005 8.196 0.032 692 H LEU 84 HN LEU 84 153.828 7.421 1.053 693 HA LEU 84 HA LEU 84 153.445 4.512 0.788 694 1HB LEU 84 HB2 LEU 84 152.026 6.588 -0.853 695 2HB LEU 84 HB1 LEU 84 151.529 4.943 -0.508 696 HG LEU 84 HG LEU 84 151.234 5.718 1.919 697 1HD1 LEU 84 HD11 LEU 84 152.044 8.202 0.632 698 2HD1 LEU 84 HD12 LEU 84 151.988 7.774 2.342 699 3HD1 LEU 84 HD13 LEU 84 150.532 8.345 1.530 700 1HD2 LEU 84 HD21 LEU 84 149.007 6.140 1.526 701 2HD2 LEU 84 HD22 LEU 84 149.477 5.364 0.014 702 3HD2 LEU 84 HD23 LEU 84 149.332 7.120 0.097 703 H LEU 85 HN LEU 85 154.120 3.502 -1.189 704 HA LEU 85 HA LEU 85 155.169 5.076 -3.339 705 1HB LEU 85 HB2 LEU 85 157.559 4.075 -2.868 706 2HB LEU 85 HB1 LEU 85 157.043 5.599 -2.169 707 HG LEU 85 HG LEU 85 156.549 3.125 -0.582 708 1HD1 LEU 85 HD11 LEU 85 159.207 4.376 -0.234 709 2HD1 LEU 85 HD12 LEU 85 159.007 3.332 -1.640 710 3HD1 LEU 85 HD13 LEU 85 158.700 2.700 -0.021 711 1HD2 LEU 85 HD21 LEU 85 155.931 4.771 0.791 712 2HD2 LEU 85 HD22 LEU 85 156.743 6.005 -0.167 713 3HD2 LEU 85 HD23 LEU 85 157.651 5.069 1.022 714 H ARG 86 HN ARG 86 156.291 2.016 -1.915 715 HA ARG 86 HA ARG 86 156.959 0.496 -3.924 716 1HB ARG 86 HB2 ARG 86 155.606 -0.065 -1.411 717 2HB ARG 86 HB1 ARG 86 155.320 -1.308 -2.623 718 1HG ARG 86 HG2 ARG 86 158.019 -0.871 -2.835 719 2HG ARG 86 HG1 ARG 86 157.726 -0.684 -1.105 720 1HD ARG 86 HD2 ARG 86 156.247 -2.934 -1.947 721 2HD ARG 86 HD1 ARG 86 157.849 -3.077 -2.670 722 HE ARG 86 HE ARG 86 158.110 -2.382 0.043 723 1HH1 ARG 86 HH11 ARG 86 157.167 -5.073 -1.968 724 2HH1 ARG 86 HH12 ARG 86 157.633 -6.267 -0.804 725 1HH2 ARG 86 HH21 ARG 86 158.722 -3.953 1.577 726 2HH2 ARG 86 HH22 ARG 86 158.513 -5.632 1.209 727 H PHE 87 HN PHE 87 155.879 1.346 -5.819 728 HA PHE 87 HA PHE 87 153.181 0.281 -6.256 729 1HB PHE 87 HB2 PHE 87 154.196 2.764 -6.822 730 2HB PHE 87 HB1 PHE 87 154.340 1.949 -8.377 731 HD1 PHE 87 HD1 PHE 87 151.904 2.633 -5.653 732 HD2 PHE 87 HD2 PHE 87 152.505 1.823 -9.788 733 HE1 PHE 87 HE1 PHE 87 149.516 3.043 -6.077 734 HE2 PHE 87 HE2 PHE 87 150.118 2.232 -10.218 735 HZ PHE 87 HZ PHE 87 148.621 2.844 -8.362 736 H ASN 88 HN ASN 88 154.175 -1.881 -6.390 737 HA ASN 88 HA ASN 88 155.889 -2.486 -8.611 738 1HB ASN 88 HB2 ASN 88 155.201 -3.765 -6.239 739 2HB ASN 88 HB1 ASN 88 154.480 -4.774 -7.488 740 1HD2 ASN 88 HD21 ASN 88 155.831 -5.710 -9.064 741 2HD2 ASN 88 HD22 ASN 88 157.520 -5.925 -8.780 742 H GLY 89 HN GLY 89 155.329 -2.936 -10.635 743 1HA GLY 89 HA2 GLY 89 152.526 -2.953 -11.359 744 2HA GLY 89 HA1 GLY 89 153.891 -2.974 -12.465 745 HA PRO 90 HA PRO 90 153.449 -7.307 -13.103 746 1HB PRO 90 HB2 PRO 90 155.930 -8.364 -12.816 747 2HB PRO 90 HB1 PRO 90 155.473 -7.349 -14.190 748 1HG PRO 90 HG2 PRO 90 156.966 -6.609 -11.703 749 2HG PRO 90 HG1 PRO 90 157.296 -6.149 -13.384 750 1HD PRO 90 HD2 PRO 90 156.048 -4.498 -11.636 751 2HD PRO 90 HD1 PRO 90 155.692 -4.494 -13.377 752 H VAL 91 HN VAL 91 154.098 -9.572 -12.170 753 HA VAL 91 HA VAL 91 153.068 -9.712 -9.539 754 HB VAL 91 HB VAL 91 153.632 -12.125 -9.659 755 1HG1 VAL 91 HG11 VAL 91 151.945 -10.646 -11.507 756 2HG1 VAL 91 HG12 VAL 91 151.596 -12.099 -10.569 757 3HG1 VAL 91 HG13 VAL 91 152.407 -12.230 -12.130 758 1HG2 VAL 91 HG21 VAL 91 155.723 -11.838 -10.967 759 2HG2 VAL 91 HG22 VAL 91 154.742 -11.478 -12.386 760 3HG2 VAL 91 HG23 VAL 91 154.644 -13.067 -11.626 Start of MODEL 18 1 1H GLY 1 HT1 GLY 1 147.038 -5.929 15.945 2 2H GLY 1 HT2 GLY 1 147.423 -5.275 14.433 3 3H GLY 1 HT3 GLY 1 147.152 -4.252 15.753 4 1HA GLY 1 HA1 GLY 1 149.383 -4.218 15.875 5 2HA GLY 1 HA2 GLY 1 149.111 -5.709 16.761 6 H GLU 2 HN GLU 2 150.206 -4.292 13.786 7 HA GLU 2 HA GLU 2 151.453 -5.093 12.062 8 1HB GLU 2 HB2 GLU 2 152.139 -7.001 14.270 9 2HB GLU 2 HB1 GLU 2 152.772 -7.265 12.652 10 1HG GLU 2 HG2 GLU 2 153.565 -4.816 12.812 11 2HG GLU 2 HG1 GLU 2 153.312 -5.018 14.544 12 H TRP 3 HN TRP 3 148.625 -6.093 12.579 13 HA TRP 3 HA TRP 3 148.353 -7.686 10.299 14 1HB TRP 3 HB2 TRP 3 149.454 -9.300 12.031 15 2HB TRP 3 HB1 TRP 3 147.843 -9.356 12.740 16 HD1 TRP 3 HD1 TRP 3 148.438 -9.256 8.943 17 HE1 TRP 3 HE1 TRP 3 147.561 -11.453 7.927 18 HE3 TRP 3 HE3 TRP 3 147.309 -11.754 13.260 19 HZ2 TRP 3 HZ2 TRP 3 146.526 -13.918 8.837 20 HZ3 TRP 3 HZ3 TRP 3 146.380 -14.025 13.099 21 HH2 TRP 3 HH2 TRP 3 145.998 -15.084 10.932 22 H GLU 4 HN GLU 4 146.520 -6.676 9.721 23 HA GLU 4 HA GLU 4 144.205 -6.975 11.490 24 1HB GLU 4 HB2 GLU 4 145.390 -4.609 11.471 25 2HB GLU 4 HB1 GLU 4 144.485 -4.418 9.977 26 1HG GLU 4 HG2 GLU 4 142.427 -5.060 11.304 27 2HG GLU 4 HG1 GLU 4 143.422 -4.863 12.747 28 H ILE 5 HN ILE 5 144.781 -8.576 9.337 29 HA ILE 5 HA ILE 5 143.455 -7.688 6.988 30 HB ILE 5 HB ILE 5 145.249 -9.322 6.822 31 1HG1 ILE 5 HG12 ILE 5 142.748 -10.795 6.039 32 2HG1 ILE 5 HG11 ILE 5 143.184 -9.283 5.249 33 1HG2 ILE 5 HG21 ILE 5 143.669 -11.587 7.810 34 2HG2 ILE 5 HG22 ILE 5 144.192 -10.452 9.055 35 3HG2 ILE 5 HG23 ILE 5 145.384 -11.222 8.008 36 1HD1 ILE 5 HD11 ILE 5 144.130 -11.909 4.735 37 2HD1 ILE 5 HD12 ILE 5 145.484 -10.908 5.258 38 3HD1 ILE 5 HD13 ILE 5 144.498 -10.409 3.884 39 H ILE 6 HN ILE 6 141.312 -7.284 7.142 40 HA ILE 6 HA ILE 6 139.552 -9.501 7.731 41 HB ILE 6 HB ILE 6 138.160 -8.083 9.305 42 1HG1 ILE 6 HG12 ILE 6 140.761 -6.544 9.461 43 2HG1 ILE 6 HG11 ILE 6 139.219 -5.927 8.878 44 1HG2 ILE 6 HG21 ILE 6 140.875 -8.925 10.304 45 2HG2 ILE 6 HG22 ILE 6 139.532 -10.023 9.990 46 3HG2 ILE 6 HG23 ILE 6 139.393 -8.796 11.249 47 1HD1 ILE 6 HD11 ILE 6 140.200 -5.682 11.424 48 2HD1 ILE 6 HD12 ILE 6 139.053 -7.012 11.566 49 3HD1 ILE 6 HD13 ILE 6 138.521 -5.454 10.934 50 H GLU 7 HN GLU 7 139.795 -6.033 7.015 51 HA GLU 7 HA GLU 7 137.202 -5.834 5.867 52 1HB GLU 7 HB2 GLU 7 139.631 -4.063 5.559 53 2HB GLU 7 HB1 GLU 7 138.017 -3.656 4.989 54 1HG GLU 7 HG2 GLU 7 138.638 -4.259 7.865 55 2HG GLU 7 HG1 GLU 7 138.705 -2.635 7.177 56 H ILE 8 HN ILE 8 137.062 -4.918 3.516 57 HA ILE 8 HA ILE 8 138.892 -6.099 1.630 58 HB ILE 8 HB ILE 8 137.044 -7.405 0.478 59 1HG1 ILE 8 HG12 ILE 8 135.339 -8.294 2.194 60 2HG1 ILE 8 HG11 ILE 8 135.761 -6.878 3.153 61 1HG2 ILE 8 HG21 ILE 8 138.967 -8.331 1.838 62 2HG2 ILE 8 HG22 ILE 8 137.564 -9.383 1.649 63 3HG2 ILE 8 HG23 ILE 8 137.816 -8.512 3.162 64 1HD1 ILE 8 HD11 ILE 8 134.579 -5.503 1.850 65 2HD1 ILE 8 HD12 ILE 8 133.780 -6.978 1.306 66 3HD1 ILE 8 HD13 ILE 8 135.105 -6.294 0.363 67 H GLY 9 HN GLY 9 136.198 -4.070 2.383 68 1HA GLY 9 HA2 GLY 9 135.716 -3.329 -0.383 69 2HA GLY 9 HA1 GLY 9 134.900 -2.677 1.028 70 HA PRO 10 HA PRO 10 137.195 1.060 0.509 71 1HB PRO 10 HB2 PRO 10 137.421 1.821 3.148 72 2HB PRO 10 HB1 PRO 10 135.988 2.088 2.152 73 1HG PRO 10 HG2 PRO 10 136.536 -0.072 4.145 74 2HG PRO 10 HG1 PRO 10 135.039 0.832 3.855 75 1HD PRO 10 HD2 PRO 10 135.370 -1.669 2.936 76 2HD PRO 10 HD1 PRO 10 134.478 -0.447 2.004 77 H PHE 11 HN PHE 11 138.244 -1.320 2.861 78 HA PHE 11 HA PHE 11 140.757 -0.399 3.506 79 1HB PHE 11 HB2 PHE 11 139.644 -2.346 4.544 80 2HB PHE 11 HB1 PHE 11 139.932 -3.276 3.078 81 HD1 PHE 11 HD1 PHE 11 142.430 -3.433 2.327 82 HD2 PHE 11 HD2 PHE 11 141.153 -2.467 6.269 83 HE1 PHE 11 HE1 PHE 11 144.622 -4.130 3.203 84 HE2 PHE 11 HE2 PHE 11 143.343 -3.161 7.152 85 HZ PHE 11 HZ PHE 11 145.080 -3.992 5.618 86 H THR 12 HN THR 12 139.638 -1.829 0.544 87 HA THR 12 HA THR 12 142.331 -2.249 -0.462 88 HB THR 12 HB THR 12 140.564 -2.672 -2.553 89 HG1 THR 12 HG1 THR 12 138.932 -3.960 -1.562 90 1HG2 THR 12 HG21 THR 12 141.788 -4.519 -0.553 91 2HG2 THR 12 HG22 THR 12 142.183 -4.295 -2.256 92 3HG2 THR 12 HG23 THR 12 140.698 -5.126 -1.800 93 H GLN 13 HN GLN 13 139.435 -0.569 -1.686 94 HA GLN 13 HA GLN 13 140.686 0.915 -3.660 95 1HB GLN 13 HB2 GLN 13 138.740 2.361 -3.629 96 2HB GLN 13 HB1 GLN 13 138.246 0.685 -3.431 97 1HG GLN 13 HG2 GLN 13 137.316 1.084 -1.456 98 2HG GLN 13 HG1 GLN 13 138.712 2.004 -0.890 99 1HE2 GLN 13 HE21 GLN 13 135.505 2.173 -1.637 100 2HE2 GLN 13 HE22 GLN 13 135.357 3.879 -1.868 101 H ASN 14 HN ASN 14 140.780 1.377 -0.235 102 HA ASN 14 HA ASN 14 141.296 4.108 -0.103 103 1HB ASN 14 HB2 ASN 14 141.664 1.789 1.665 104 2HB ASN 14 HB1 ASN 14 142.803 3.100 1.954 105 1HD2 ASN 14 HD21 ASN 14 142.109 4.960 2.877 106 2HD2 ASN 14 HD22 ASN 14 140.498 5.210 3.449 107 H LEU 15 HN LEU 15 143.688 1.459 0.004 108 HA LEU 15 HA LEU 15 145.966 3.015 -0.228 109 1HB LEU 15 HB2 LEU 15 145.826 0.525 0.177 110 2HB LEU 15 HB1 LEU 15 145.601 0.327 -1.551 111 HG LEU 15 HG LEU 15 147.934 -0.076 -0.780 112 1HD1 LEU 15 HD11 LEU 15 147.077 1.131 -3.055 113 2HD1 LEU 15 HD12 LEU 15 148.740 0.628 -2.749 114 3HD1 LEU 15 HD13 LEU 15 148.257 2.300 -2.464 115 1HD2 LEU 15 HD21 LEU 15 149.153 1.424 0.364 116 2HD2 LEU 15 HD22 LEU 15 147.581 2.083 0.813 117 3HD2 LEU 15 HD23 LEU 15 148.487 2.796 -0.521 118 H GLY 16 HN GLY 16 143.650 2.019 -2.645 119 1HA GLY 16 HA2 GLY 16 145.121 2.621 -4.964 120 2HA GLY 16 HA1 GLY 16 143.368 2.643 -4.836 121 H LYS 17 HN LYS 17 143.216 4.678 -2.810 122 HA LYS 17 HA LYS 17 143.212 6.972 -4.459 123 1HB LYS 17 HB2 LYS 17 142.364 6.276 -1.811 124 2HB LYS 17 HB1 LYS 17 143.250 7.793 -1.742 125 1HG LYS 17 HG2 LYS 17 141.473 8.874 -2.488 126 2HG LYS 17 HG1 LYS 17 141.489 7.908 -3.965 127 1HD LYS 17 HD2 LYS 17 139.809 6.578 -3.260 128 2HD LYS 17 HD1 LYS 17 140.389 6.557 -1.594 129 1HE LYS 17 HE2 LYS 17 139.343 8.594 -1.088 130 2HE LYS 17 HE1 LYS 17 139.110 8.994 -2.789 131 1HZ LYS 17 HZ1 LYS 17 137.482 7.246 -2.969 132 2HZ LYS 17 HZ2 LYS 17 137.053 8.279 -1.701 133 3HZ LYS 17 HZ3 LYS 17 137.747 6.772 -1.366 134 H PHE 18 HN PHE 18 145.234 6.225 -1.616 135 HA PHE 18 HA PHE 18 147.025 8.386 -2.123 136 1HB PHE 18 HB2 PHE 18 146.612 6.419 -0.055 137 2HB PHE 18 HB1 PHE 18 148.323 6.529 -0.454 138 HD1 PHE 18 HD1 PHE 18 148.697 9.330 -1.076 139 HD2 PHE 18 HD2 PHE 18 146.304 7.521 1.943 140 HE1 PHE 18 HE1 PHE 18 148.887 11.368 0.291 141 HE2 PHE 18 HE2 PHE 18 146.489 9.555 3.315 142 HZ PHE 18 HZ PHE 18 147.780 11.482 2.490 143 H ALA 19 HN ALA 19 146.667 5.411 -3.594 144 HA ALA 19 HA ALA 19 149.391 4.723 -4.044 145 1HB ALA 19 HB1 ALA 19 147.898 2.948 -4.294 146 2HB ALA 19 HB2 ALA 19 148.348 3.351 -5.950 147 3HB ALA 19 HB3 ALA 19 146.800 3.890 -5.301 148 H VAL 20 HN VAL 20 146.924 6.295 -6.071 149 HA VAL 20 HA VAL 20 148.708 6.831 -8.220 150 HB VAL 20 HB VAL 20 146.279 6.695 -8.555 151 1HG1 VAL 20 HG11 VAL 20 145.638 7.778 -6.422 152 2HG1 VAL 20 HG12 VAL 20 144.787 8.433 -7.822 153 3HG1 VAL 20 HG13 VAL 20 146.124 9.331 -7.102 154 1HG2 VAL 20 HG21 VAL 20 148.006 8.348 -9.816 155 2HG2 VAL 20 HG22 VAL 20 146.766 9.497 -9.313 156 3HG2 VAL 20 HG23 VAL 20 146.330 8.109 -10.310 157 H ASP 21 HN ASP 21 147.466 8.790 -5.528 158 HA ASP 21 HA ASP 21 148.615 11.230 -6.270 159 1HB ASP 21 HB2 ASP 21 147.848 10.064 -3.602 160 2HB ASP 21 HB1 ASP 21 148.577 11.662 -3.724 161 H GLU 22 HN GLU 22 149.969 8.475 -4.549 162 HA GLU 22 HA GLU 22 152.516 9.892 -4.284 163 1HB GLU 22 HB2 GLU 22 151.235 8.310 -2.501 164 2HB GLU 22 HB1 GLU 22 152.314 7.142 -3.252 165 1HG GLU 22 HG2 GLU 22 153.690 7.878 -1.610 166 2HG GLU 22 HG1 GLU 22 154.080 9.076 -2.840 167 H GLU 23 HN GLU 23 150.983 7.916 -6.472 168 HA GLU 23 HA GLU 23 152.838 6.015 -7.249 169 1HB GLU 23 HB2 GLU 23 150.622 6.130 -8.238 170 2HB GLU 23 HB1 GLU 23 150.989 7.690 -8.959 171 1HG GLU 23 HG2 GLU 23 152.627 6.679 -10.415 172 2HG GLU 23 HG1 GLU 23 152.384 5.112 -9.643 173 H ASN 24 HN ASN 24 152.931 9.450 -7.550 174 HA ASN 24 HA ASN 24 154.903 9.585 -9.608 175 1HB ASN 24 HB2 ASN 24 153.578 11.510 -7.758 176 2HB ASN 24 HB1 ASN 24 155.089 12.003 -8.516 177 1HD2 ASN 24 HD21 ASN 24 152.194 10.220 -9.537 178 2HD2 ASN 24 HD22 ASN 24 151.917 11.153 -10.965 179 H LYS 25 HN LYS 25 155.164 8.537 -6.460 180 HA LYS 25 HA LYS 25 157.697 9.770 -5.845 181 1HB LYS 25 HB2 LYS 25 155.715 8.396 -4.375 182 2HB LYS 25 HB1 LYS 25 157.189 7.449 -4.231 183 1HG LYS 25 HG2 LYS 25 157.857 10.186 -3.878 184 2HG LYS 25 HG1 LYS 25 156.464 9.816 -2.859 185 1HD LYS 25 HD2 LYS 25 157.767 7.769 -2.093 186 2HD LYS 25 HD1 LYS 25 159.170 8.501 -2.872 187 1HE LYS 25 HE2 LYS 25 159.095 10.384 -1.430 188 2HE LYS 25 HE1 LYS 25 157.506 9.935 -0.816 189 1HZ LYS 25 HZ1 LYS 25 159.773 9.388 0.451 190 2HZ LYS 25 HZ2 LYS 25 159.615 7.969 -0.454 191 3HZ LYS 25 HZ3 LYS 25 158.380 8.438 0.600 192 H ILE 26 HN ILE 26 157.029 6.273 -5.726 193 HA ILE 26 HA ILE 26 159.628 5.498 -6.300 194 HB ILE 26 HB ILE 26 157.725 4.057 -5.420 195 1HG1 ILE 26 HG12 ILE 26 160.010 3.239 -6.019 196 2HG1 ILE 26 HG11 ILE 26 158.751 2.020 -6.180 197 1HG2 ILE 26 HG21 ILE 26 157.176 3.695 -8.361 198 2HG2 ILE 26 HG22 ILE 26 156.114 4.490 -7.198 199 3HG2 ILE 26 HG23 ILE 26 156.453 2.765 -7.050 200 1HD1 ILE 26 HD11 ILE 26 159.668 1.628 -8.171 201 2HD1 ILE 26 HD12 ILE 26 160.525 3.169 -8.187 202 3HD1 ILE 26 HD13 ILE 26 158.835 3.092 -8.689 203 H GLY 27 HN GLY 27 156.903 5.939 -8.538 204 1HA GLY 27 HA2 GLY 27 158.722 5.473 -10.796 205 2HA GLY 27 HA1 GLY 27 156.968 5.492 -10.879 206 H GLN 28 HN GLN 28 158.442 6.873 -12.722 207 HA GLN 28 HA GLN 28 158.270 9.681 -11.876 208 1HB GLN 28 HB2 GLN 28 159.554 8.612 -14.389 209 2HB GLN 28 HB1 GLN 28 159.722 10.222 -13.703 210 1HG GLN 28 HG2 GLN 28 161.573 9.507 -12.726 211 2HG GLN 28 HG1 GLN 28 160.552 8.526 -11.674 212 1HE2 GLN 28 HE21 GLN 28 163.268 8.259 -13.145 213 2HE2 GLN 28 HE22 GLN 28 163.199 6.658 -13.789 214 H TYR 29 HN TYR 29 157.030 7.330 -14.137 215 HA TYR 29 HA TYR 29 155.524 9.319 -15.620 216 1HB TYR 29 HB2 TYR 29 156.367 6.590 -16.053 217 2HB TYR 29 HB1 TYR 29 154.640 6.749 -16.345 218 HD1 TYR 29 HD1 TYR 29 153.971 7.323 -18.475 219 HD2 TYR 29 HD2 TYR 29 157.820 8.551 -17.141 220 HE1 TYR 29 HE1 TYR 29 154.431 8.271 -20.696 221 HE2 TYR 29 HE2 TYR 29 158.290 9.504 -19.359 222 HH TYR 29 HH TYR 29 156.632 8.780 -22.062 223 H GLY 30 HN GLY 30 154.036 10.171 -14.198 224 1HA GLY 30 HA2 GLY 30 152.310 8.394 -12.675 225 2HA GLY 30 HA1 GLY 30 152.298 10.152 -12.633 226 H ARG 31 HN ARG 31 150.246 7.883 -13.112 227 HA ARG 31 HA ARG 31 148.700 9.382 -15.037 228 1HB ARG 31 HB2 ARG 31 150.181 7.098 -15.882 229 2HB ARG 31 HB1 ARG 31 148.475 6.680 -15.915 230 1HG ARG 31 HG2 ARG 31 149.102 9.297 -17.071 231 2HG ARG 31 HG1 ARG 31 149.819 7.924 -17.919 232 1HD ARG 31 HD2 ARG 31 147.842 7.792 -18.964 233 2HD ARG 31 HD1 ARG 31 147.280 7.039 -17.472 234 HE ARG 31 HE ARG 31 146.051 8.921 -17.018 235 1HH1 ARG 31 HH11 ARG 31 148.334 9.635 -19.561 236 2HH1 ARG 31 HH12 ARG 31 147.651 11.189 -19.907 237 1HH2 ARG 31 HH21 ARG 31 145.152 10.964 -17.474 238 2HH2 ARG 31 HH22 ARG 31 145.846 11.943 -18.723 239 H LEU 32 HN LEU 32 146.634 7.740 -15.524 240 HA LEU 32 HA LEU 32 145.330 7.619 -12.981 241 1HB LEU 32 HB2 LEU 32 144.518 7.861 -15.623 242 2HB LEU 32 HB1 LEU 32 143.942 6.271 -15.158 243 HG LEU 32 HG LEU 32 143.375 8.640 -13.412 244 1HD1 LEU 32 HD11 LEU 32 141.715 9.450 -14.702 245 2HD1 LEU 32 HD12 LEU 32 141.314 7.868 -15.370 246 3HD1 LEU 32 HD13 LEU 32 142.688 8.773 -16.007 247 1HD2 LEU 32 HD21 LEU 32 142.126 5.949 -13.894 248 2HD2 LEU 32 HD22 LEU 32 141.303 7.233 -13.010 249 3HD2 LEU 32 HD23 LEU 32 142.827 6.583 -12.405 250 H THR 33 HN THR 33 145.450 5.996 -11.594 251 HA THR 33 HA THR 33 145.873 3.274 -12.638 252 HB THR 33 HB THR 33 146.723 3.429 -9.925 253 HG1 THR 33 HG1 THR 33 147.379 5.425 -9.872 254 1HG2 THR 33 HG21 THR 33 148.653 2.464 -10.660 255 2HG2 THR 33 HG22 THR 33 148.684 3.400 -12.155 256 3HG2 THR 33 HG23 THR 33 147.564 2.049 -11.982 257 H PHE 34 HN PHE 34 143.356 4.690 -12.047 258 HA PHE 34 HA PHE 34 142.379 3.139 -9.751 259 1HB PHE 34 HB2 PHE 34 141.800 5.796 -10.785 260 2HB PHE 34 HB1 PHE 34 140.332 4.855 -10.545 261 HD1 PHE 34 HD1 PHE 34 143.407 6.023 -8.841 262 HD2 PHE 34 HD2 PHE 34 139.433 4.563 -8.415 263 HE1 PHE 34 HE1 PHE 34 143.485 6.525 -6.434 264 HE2 PHE 34 HE2 PHE 34 139.504 5.062 -6.006 265 HZ PHE 34 HZ PHE 34 141.531 6.045 -5.013 266 H ASN 35 HN ASN 35 142.699 1.418 -11.656 267 HA ASN 35 HA ASN 35 140.312 1.273 -13.328 268 1HB ASN 35 HB2 ASN 35 142.809 0.656 -13.972 269 2HB ASN 35 HB1 ASN 35 142.358 -0.901 -13.284 270 1HD2 ASN 35 HD21 ASN 35 141.974 -2.235 -14.897 271 2HD2 ASN 35 HD22 ASN 35 141.006 -1.896 -16.286 272 H LYS 36 HN LYS 36 142.035 -0.952 -11.126 273 HA LYS 36 HA LYS 36 139.519 -1.747 -9.933 274 1HB LYS 36 HB2 LYS 36 141.149 -3.557 -11.679 275 2HB LYS 36 HB1 LYS 36 140.254 -4.228 -10.321 276 1HG LYS 36 HG2 LYS 36 138.200 -3.136 -11.269 277 2HG LYS 36 HG1 LYS 36 139.156 -2.761 -12.706 278 1HD LYS 36 HD2 LYS 36 138.672 -5.524 -11.590 279 2HD LYS 36 HD1 LYS 36 137.849 -4.823 -12.984 280 1HE LYS 36 HE2 LYS 36 139.475 -5.869 -14.142 281 2HE LYS 36 HE1 LYS 36 140.423 -4.449 -13.701 282 1HZ LYS 36 HZ1 LYS 36 141.131 -5.741 -11.689 283 2HZ LYS 36 HZ2 LYS 36 141.719 -6.324 -13.164 284 3HZ LYS 36 HZ3 LYS 36 140.432 -7.108 -12.398 285 H VAL 37 HN VAL 37 141.245 -0.397 -8.558 286 HA VAL 37 HA VAL 37 143.365 -1.829 -7.348 287 HB VAL 37 HB VAL 37 141.855 0.656 -6.572 288 1HG1 VAL 37 HG11 VAL 37 142.461 0.314 -4.448 289 2HG1 VAL 37 HG12 VAL 37 144.094 0.684 -4.993 290 3HG1 VAL 37 HG13 VAL 37 143.566 -0.991 -4.875 291 1HG2 VAL 37 HG21 VAL 37 143.288 1.506 -8.053 292 2HG2 VAL 37 HG22 VAL 37 144.245 0.026 -8.098 293 3HG2 VAL 37 HG23 VAL 37 144.541 1.229 -6.844 294 H ILE 38 HN ILE 38 142.921 -3.731 -6.336 295 HA ILE 38 HA ILE 38 141.519 -3.653 -3.869 296 HB ILE 38 HB ILE 38 139.889 -5.533 -4.543 297 1HG1 ILE 38 HG12 ILE 38 139.703 -4.316 -7.221 298 2HG1 ILE 38 HG11 ILE 38 141.127 -5.319 -6.970 299 1HG2 ILE 38 HG21 ILE 38 139.505 -2.953 -4.104 300 2HG2 ILE 38 HG22 ILE 38 138.202 -4.021 -4.624 301 3HG2 ILE 38 HG23 ILE 38 139.025 -2.996 -5.800 302 1HD1 ILE 38 HD11 ILE 38 138.332 -6.072 -7.291 303 2HD1 ILE 38 HD12 ILE 38 139.140 -6.883 -5.950 304 3HD1 ILE 38 HD13 ILE 38 139.803 -7.001 -7.579 305 H LYS 39 HN LYS 39 141.066 -6.728 -5.150 306 HA LYS 39 HA LYS 39 142.104 -8.715 -4.948 307 1HB LYS 39 HB2 LYS 39 144.441 -6.880 -5.242 308 2HB LYS 39 HB1 LYS 39 144.684 -8.600 -4.976 309 1HG LYS 39 HG2 LYS 39 142.759 -8.102 -7.077 310 2HG LYS 39 HG1 LYS 39 144.302 -7.310 -7.404 311 1HD LYS 39 HD2 LYS 39 145.358 -9.573 -6.798 312 2HD LYS 39 HD1 LYS 39 143.731 -10.228 -6.999 313 1HE LYS 39 HE2 LYS 39 143.646 -9.525 -9.276 314 2HE LYS 39 HE1 LYS 39 145.129 -8.587 -9.103 315 1HZ LYS 39 HZ1 LYS 39 145.158 -11.490 -8.614 316 2HZ LYS 39 HZ2 LYS 39 146.422 -10.476 -9.096 317 3HZ LYS 39 HZ3 LYS 39 145.215 -10.903 -10.200 318 HA PRO 40 HA PRO 40 142.588 -9.926 -0.777 319 1HB PRO 40 HB2 PRO 40 145.155 -11.198 -1.640 320 2HB PRO 40 HB1 PRO 40 143.839 -11.871 -0.670 321 1HG PRO 40 HG2 PRO 40 144.086 -12.510 -3.241 322 2HG PRO 40 HG1 PRO 40 142.489 -12.245 -2.518 323 1HD PRO 40 HD2 PRO 40 144.034 -10.520 -4.376 324 2HD PRO 40 HD1 PRO 40 142.278 -10.685 -4.181 325 H CYS 41 HN CYS 41 142.993 -7.784 -0.038 326 HA CYS 41 HA CYS 41 145.770 -6.939 0.225 327 1HB CYS 41 HB2 CYS 41 143.124 -5.632 0.808 328 2HB CYS 41 HB1 CYS 41 144.638 -4.930 1.367 329 HG CYS 41 HG CYS 41 144.804 -5.397 -1.577 330 H MET 42 HN MET 42 146.314 -5.878 2.402 331 HA MET 42 HA MET 42 145.195 -6.699 4.813 332 1HB MET 42 HB2 MET 42 146.697 -8.457 5.555 333 2HB MET 42 HB1 MET 42 145.858 -8.965 4.097 334 1HG MET 42 HG2 MET 42 148.481 -7.676 3.712 335 2HG MET 42 HG1 MET 42 148.487 -9.261 4.480 336 1HE MET 42 HE1 MET 42 147.799 -11.371 3.522 337 2HE MET 42 HE2 MET 42 149.331 -11.086 2.698 338 3HE MET 42 HE3 MET 42 147.948 -11.712 1.799 339 H LYS 43 HN LYS 43 146.143 -5.626 6.497 340 HA LYS 43 HA LYS 43 148.638 -4.181 5.880 341 1HB LYS 43 HB2 LYS 43 147.845 -2.346 7.233 342 2HB LYS 43 HB1 LYS 43 146.632 -2.735 6.023 343 1HG LYS 43 HG2 LYS 43 145.210 -2.638 7.747 344 2HG LYS 43 HG1 LYS 43 145.798 -4.265 8.100 345 1HD LYS 43 HD2 LYS 43 145.915 -3.033 10.130 346 2HD LYS 43 HD1 LYS 43 147.569 -3.192 9.536 347 1HE LYS 43 HE2 LYS 43 147.213 -0.909 8.453 348 2HE LYS 43 HE1 LYS 43 145.777 -0.782 9.467 349 1HZ LYS 43 HZ1 LYS 43 147.355 0.206 10.776 350 2HZ LYS 43 HZ2 LYS 43 148.607 -0.803 10.250 351 3HZ LYS 43 HZ3 LYS 43 147.454 -1.387 11.341 352 H LYS 44 HN LYS 44 149.639 -3.320 8.051 353 HA LYS 44 HA LYS 44 149.396 -5.150 10.275 354 1HB LYS 44 HB2 LYS 44 151.977 -4.984 8.707 355 2HB LYS 44 HB1 LYS 44 151.769 -5.818 10.240 356 1HG LYS 44 HG2 LYS 44 150.144 -7.326 9.176 357 2HG LYS 44 HG1 LYS 44 150.426 -6.510 7.637 358 1HD LYS 44 HD2 LYS 44 152.556 -7.369 7.418 359 2HD LYS 44 HD1 LYS 44 152.746 -7.619 9.154 360 1HE LYS 44 HE2 LYS 44 150.590 -9.232 8.398 361 2HE LYS 44 HE1 LYS 44 151.796 -9.439 7.128 362 1HZ LYS 44 HZ1 LYS 44 151.809 -10.827 9.384 363 2HZ LYS 44 HZ2 LYS 44 152.778 -9.526 9.865 364 3HZ LYS 44 HZ3 LYS 44 153.221 -10.459 8.525 365 H THR 45 HN THR 45 148.964 -3.416 11.592 366 HA THR 45 HA THR 45 150.234 -0.959 11.599 367 HB THR 45 HB THR 45 149.472 -1.796 14.278 368 HG1 THR 45 HG1 THR 45 147.790 -2.928 13.821 369 1HG2 THR 45 HG21 THR 45 148.936 0.348 14.259 370 2HG2 THR 45 HG22 THR 45 147.541 -0.079 13.268 371 3HG2 THR 45 HG23 THR 45 149.046 0.424 12.501 372 H ILE 46 HN ILE 46 151.601 -0.081 13.427 373 HA ILE 46 HA ILE 46 153.504 -2.014 14.511 374 HB ILE 46 HB ILE 46 154.481 0.415 13.020 375 1HG1 ILE 46 HG12 ILE 46 155.356 -1.549 11.461 376 2HG1 ILE 46 HG11 ILE 46 153.920 -2.361 12.076 377 1HG2 ILE 46 HG21 ILE 46 155.784 -0.790 14.931 378 2HG2 ILE 46 HG22 ILE 46 156.618 -0.320 13.449 379 3HG2 ILE 46 HG23 ILE 46 156.111 -1.992 13.684 380 1HD1 ILE 46 HD11 ILE 46 152.566 -0.442 11.298 381 2HD1 ILE 46 HD12 ILE 46 153.393 -1.301 10.001 382 3HD1 ILE 46 HD13 ILE 46 154.021 0.242 10.578 383 H TYR 47 HN TYR 47 152.504 -1.417 16.515 384 HA TYR 47 HA TYR 47 153.247 1.282 17.434 385 1HB TYR 47 HB2 TYR 47 151.444 1.175 19.032 386 2HB TYR 47 HB1 TYR 47 150.797 0.768 17.447 387 HD1 TYR 47 HD1 TYR 47 151.067 -0.240 20.843 388 HD2 TYR 47 HD2 TYR 47 150.570 -1.751 16.897 389 HE1 TYR 47 HE1 TYR 47 150.151 -2.327 21.764 390 HE2 TYR 47 HE2 TYR 47 149.650 -3.841 17.808 391 HH TYR 47 HH TYR 47 148.551 -4.633 19.855 392 H GLU 48 HN GLU 48 154.600 1.492 19.120 393 HA GLU 48 HA GLU 48 156.221 -0.595 19.946 394 1HB GLU 48 HB2 GLU 48 156.571 1.945 20.150 395 2HB GLU 48 HB1 GLU 48 155.718 1.791 21.678 396 1HG GLU 48 HG2 GLU 48 157.773 1.492 22.511 397 2HG GLU 48 HG1 GLU 48 157.552 -0.165 21.950 398 H ASN 49 HN ASN 49 154.027 1.094 22.077 399 HA ASN 49 HA ASN 49 152.630 -1.153 23.014 400 1HB ASN 49 HB2 ASN 49 155.149 -1.298 23.959 401 2HB ASN 49 HB1 ASN 49 154.431 -0.284 25.207 402 1HD2 ASN 49 HD21 ASN 49 153.558 -3.173 23.333 403 2HD2 ASN 49 HD22 ASN 49 152.967 -4.075 24.683 404 H GLU 50 HN GLU 50 154.098 1.804 24.353 405 HA GLU 50 HA GLU 50 151.457 2.582 25.375 406 1HB GLU 50 HB2 GLU 50 154.077 3.923 26.025 407 2HB GLU 50 HB1 GLU 50 152.565 4.004 26.918 408 1HG GLU 50 HG2 GLU 50 153.015 1.371 27.062 409 2HG GLU 50 HG1 GLU 50 154.677 1.946 26.943 410 H ARG 51 HN ARG 51 152.037 2.766 22.599 411 HA ARG 51 HA ARG 51 151.681 4.204 20.871 412 1HB ARG 51 HB2 ARG 51 150.229 5.296 22.873 413 2HB ARG 51 HB1 ARG 51 151.367 6.603 22.578 414 1HG ARG 51 HG2 ARG 51 150.693 6.734 20.272 415 2HG ARG 51 HG1 ARG 51 149.644 5.327 20.466 416 1HD ARG 51 HD2 ARG 51 148.093 6.494 21.722 417 2HD ARG 51 HD1 ARG 51 149.263 7.714 22.220 418 HE ARG 51 HE ARG 51 149.017 8.011 19.503 419 1HH1 ARG 51 HH11 ARG 51 146.856 8.130 22.240 420 2HH1 ARG 51 HH12 ARG 51 145.782 9.270 21.502 421 1HH2 ARG 51 HH21 ARG 51 147.607 9.511 18.529 422 2HH2 ARG 51 HH22 ARG 51 146.207 10.054 19.394 423 H GLU 52 HN GLU 52 154.223 3.667 21.241 424 HA GLU 52 HA GLU 52 155.740 6.112 21.580 425 1HB GLU 52 HB2 GLU 52 156.309 3.517 22.180 426 2HB GLU 52 HB1 GLU 52 157.175 3.721 20.663 427 1HG GLU 52 HG2 GLU 52 158.800 4.811 21.685 428 2HG GLU 52 HG1 GLU 52 157.658 5.978 22.347 429 H ILE 53 HN ILE 53 154.612 4.076 19.045 430 HA ILE 53 HA ILE 53 155.621 5.996 17.117 431 HB ILE 53 HB ILE 53 157.301 4.277 17.091 432 1HG1 ILE 53 HG12 ILE 53 156.559 5.407 14.964 433 2HG1 ILE 53 HG11 ILE 53 157.408 3.883 14.755 434 1HG2 ILE 53 HG21 ILE 53 155.566 2.497 17.835 435 2HG2 ILE 53 HG22 ILE 53 156.975 2.035 16.883 436 3HG2 ILE 53 HG23 ILE 53 155.408 2.218 16.104 437 1HD1 ILE 53 HD11 ILE 53 154.680 4.634 14.035 438 2HD1 ILE 53 HD12 ILE 53 154.819 3.060 14.817 439 3HD1 ILE 53 HD13 ILE 53 155.743 3.401 13.355 440 H LYS 54 HN LYS 54 153.891 2.936 17.036 441 HA LYS 54 HA LYS 54 151.882 2.326 16.179 442 1HB LYS 54 HB2 LYS 54 151.290 4.337 17.736 443 2HB LYS 54 HB1 LYS 54 150.965 5.171 16.223 444 1HG LYS 54 HG2 LYS 54 149.103 3.964 15.793 445 2HG LYS 54 HG1 LYS 54 149.745 2.502 16.545 446 1HD LYS 54 HD2 LYS 54 148.858 4.933 18.088 447 2HD LYS 54 HD1 LYS 54 147.818 3.547 17.758 448 1HE LYS 54 HE2 LYS 54 149.702 2.154 18.821 449 2HE LYS 54 HE1 LYS 54 150.285 3.692 19.457 450 1HZ LYS 54 HZ1 LYS 54 147.738 3.838 20.155 451 2HZ LYS 54 HZ2 LYS 54 148.918 3.137 21.143 452 3HZ LYS 54 HZ3 LYS 54 147.925 2.156 20.189 453 H GLY 55 HN GLY 55 153.250 2.056 14.189 454 1HA GLY 55 HA2 GLY 55 152.496 3.916 12.032 455 2HA GLY 55 HA1 GLY 55 153.791 2.724 11.951 456 H TYR 56 HN TYR 56 152.370 2.504 9.830 457 HA TYR 56 HA TYR 56 150.969 0.026 10.180 458 1HB TYR 56 HB2 TYR 56 148.926 0.935 8.892 459 2HB TYR 56 HB1 TYR 56 149.041 1.261 10.616 460 HD1 TYR 56 HD1 TYR 56 149.167 3.482 11.436 461 HD2 TYR 56 HD2 TYR 56 149.463 2.747 7.257 462 HE1 TYR 56 HE1 TYR 56 148.915 5.889 11.002 463 HE2 TYR 56 HE2 TYR 56 149.217 5.151 6.810 464 HH TYR 56 HH TYR 56 149.493 7.507 9.212 465 H GLU 57 HN GLU 57 151.791 -1.185 8.662 466 HA GLU 57 HA GLU 57 152.634 0.017 6.140 467 1HB GLU 57 HB2 GLU 57 153.591 -2.302 5.723 468 2HB GLU 57 HB1 GLU 57 154.301 -1.397 7.052 469 1HG GLU 57 HG2 GLU 57 153.377 -2.758 8.656 470 2HG GLU 57 HG1 GLU 57 152.068 -3.290 7.602 471 H TYR 58 HN TYR 58 151.180 0.107 4.557 472 HA TYR 58 HA TYR 58 149.023 -1.874 4.493 473 1HB TYR 58 HB2 TYR 58 149.112 0.919 4.088 474 2HB TYR 58 HB1 TYR 58 148.722 0.205 2.527 475 HD1 TYR 58 HD1 TYR 58 147.751 -0.353 6.101 476 HD2 TYR 58 HD2 TYR 58 146.477 0.084 2.066 477 HE1 TYR 58 HE1 TYR 58 145.412 -0.601 6.818 478 HE2 TYR 58 HE2 TYR 58 144.135 -0.164 2.771 479 HH TYR 58 HH TYR 58 142.765 0.049 4.713 480 H GLN 59 HN GLN 59 149.489 -3.608 3.320 481 HA GLN 59 HA GLN 59 150.892 -3.267 0.755 482 1HB GLN 59 HB2 GLN 59 151.894 -4.856 2.405 483 2HB GLN 59 HB1 GLN 59 150.422 -5.815 2.321 484 1HG GLN 59 HG2 GLN 59 150.816 -6.246 -0.037 485 2HG GLN 59 HG1 GLN 59 152.266 -5.244 0.011 486 1HE2 GLN 59 HE21 GLN 59 150.795 -8.141 1.385 487 2HE2 GLN 59 HE22 GLN 59 152.278 -8.982 1.661 488 H LEU 60 HN LEU 60 149.359 -2.883 -0.765 489 HA LEU 60 HA LEU 60 147.039 -4.641 -0.793 490 1HB LEU 60 HB2 LEU 60 147.255 -1.820 -1.804 491 2HB LEU 60 HB1 LEU 60 145.838 -2.829 -1.972 492 HG LEU 60 HG LEU 60 146.711 -1.192 0.275 493 1HD1 LEU 60 HD11 LEU 60 144.515 -0.766 0.427 494 2HD1 LEU 60 HD12 LEU 60 144.069 -2.464 0.287 495 3HD1 LEU 60 HD13 LEU 60 144.446 -1.531 -1.160 496 1HD2 LEU 60 HD21 LEU 60 145.529 -2.955 1.860 497 2HD2 LEU 60 HD22 LEU 60 147.274 -2.941 1.616 498 3HD2 LEU 60 HD23 LEU 60 146.272 -4.092 0.738 499 H TYR 61 HN TYR 61 146.045 -4.992 -2.973 500 HA TYR 61 HA TYR 61 148.162 -5.196 -5.008 501 1HB TYR 61 HB2 TYR 61 145.941 -7.051 -4.231 502 2HB TYR 61 HB1 TYR 61 146.590 -7.097 -5.869 503 HD1 TYR 61 HD1 TYR 61 148.939 -7.776 -6.239 504 HD2 TYR 61 HD2 TYR 61 147.164 -7.904 -2.375 505 HE1 TYR 61 HE1 TYR 61 150.763 -9.227 -5.453 506 HE2 TYR 61 HE2 TYR 61 148.980 -9.355 -1.578 507 HH TYR 61 HH TYR 61 150.632 -10.976 -2.614 508 H VAL 62 HN VAL 62 147.630 -3.103 -5.709 509 HA VAL 62 HA VAL 62 144.997 -2.429 -6.550 510 HB VAL 62 HB VAL 62 146.116 -0.414 -7.558 511 1HG1 VAL 62 HG11 VAL 62 145.498 -1.000 -4.958 512 2HG1 VAL 62 HG12 VAL 62 145.923 0.598 -5.572 513 3HG1 VAL 62 HG13 VAL 62 147.155 -0.420 -4.829 514 1HG2 VAL 62 HG21 VAL 62 148.567 -1.676 -6.338 515 2HG2 VAL 62 HG22 VAL 62 148.463 -0.013 -6.909 516 3HG2 VAL 62 HG23 VAL 62 148.289 -1.349 -8.045 517 H TYR 63 HN TYR 63 144.207 -3.722 -8.122 518 HA TYR 63 HA TYR 63 145.743 -4.369 -10.490 519 1HB TYR 63 HB2 TYR 63 143.848 -5.754 -9.313 520 2HB TYR 63 HB1 TYR 63 142.768 -4.726 -10.245 521 HD1 TYR 63 HD1 TYR 63 143.487 -7.848 -10.288 522 HD2 TYR 63 HD2 TYR 63 144.375 -4.517 -12.778 523 HE1 TYR 63 HE1 TYR 63 143.714 -9.357 -12.216 524 HE2 TYR 63 HE2 TYR 63 144.603 -6.016 -14.712 525 HH TYR 63 HH TYR 63 145.187 -8.989 -14.676 526 H ALA 64 HN ALA 64 146.231 -2.239 -11.291 527 HA ALA 64 HA ALA 64 143.899 -0.633 -12.081 528 1HB ALA 64 HB1 ALA 64 145.371 1.207 -12.346 529 2HB ALA 64 HB2 ALA 64 146.791 0.163 -12.269 530 3HB ALA 64 HB3 ALA 64 145.793 0.406 -10.832 531 H SER 65 HN SER 65 144.761 0.792 -14.176 532 HA SER 65 HA SER 65 144.092 -0.593 -16.406 533 1HB SER 65 HB2 SER 65 146.279 1.356 -16.848 534 2HB SER 65 HB1 SER 65 144.673 1.276 -17.573 535 HG SER 65 HG SER 65 145.093 3.075 -16.080 536 H ASP 66 HN ASP 66 147.336 -0.309 -15.035 537 HA ASP 66 HA ASP 66 148.758 -1.619 -17.013 538 1HB ASP 66 HB2 ASP 66 149.762 -0.401 -15.079 539 2HB ASP 66 HB1 ASP 66 149.302 -1.756 -14.053 540 H LYS 67 HN LYS 67 147.736 -2.975 -13.958 541 HA LYS 67 HA LYS 67 146.323 -5.170 -14.732 542 1HB LYS 67 HB2 LYS 67 149.188 -5.518 -15.277 543 2HB LYS 67 HB1 LYS 67 148.484 -6.819 -14.325 544 1HG LYS 67 HG2 LYS 67 146.639 -6.420 -16.332 545 2HG LYS 67 HG1 LYS 67 148.190 -6.199 -17.141 546 1HD LYS 67 HD2 LYS 67 147.437 -8.576 -15.441 547 2HD LYS 67 HD1 LYS 67 147.423 -8.541 -17.207 548 1HE LYS 67 HE2 LYS 67 149.837 -8.030 -17.183 549 2HE LYS 67 HE1 LYS 67 149.827 -8.156 -15.425 550 1HZ LYS 67 HZ1 LYS 67 150.400 -10.268 -15.878 551 2HZ LYS 67 HZ2 LYS 67 149.738 -10.250 -17.433 552 3HZ LYS 67 HZ3 LYS 67 148.735 -10.486 -16.093 553 H LEU 68 HN LEU 68 147.071 -7.207 -13.081 554 HA LEU 68 HA LEU 68 146.386 -6.259 -10.521 555 1HB LEU 68 HB2 LEU 68 147.108 -8.524 -9.736 556 2HB LEU 68 HB1 LEU 68 145.950 -8.551 -11.052 557 HG LEU 68 HG LEU 68 148.755 -8.643 -11.921 558 1HD1 LEU 68 HD11 LEU 68 149.408 -10.638 -11.049 559 2HD1 LEU 68 HD12 LEU 68 147.754 -11.211 -10.826 560 3HD1 LEU 68 HD13 LEU 68 148.442 -10.047 -9.694 561 1HD2 LEU 68 HD21 LEU 68 146.358 -9.111 -13.068 562 2HD2 LEU 68 HD22 LEU 68 146.826 -10.752 -12.624 563 3HD2 LEU 68 HD23 LEU 68 147.879 -9.784 -13.654 564 H PHE 69 HN PHE 69 147.946 -4.472 -10.516 565 HA PHE 69 HA PHE 69 150.677 -5.262 -9.877 566 1HB PHE 69 HB2 PHE 69 151.335 -3.316 -10.823 567 2HB PHE 69 HB1 PHE 69 149.761 -3.413 -11.588 568 HD1 PHE 69 HD1 PHE 69 151.505 -1.925 -8.665 569 HD2 PHE 69 HD2 PHE 69 148.280 -1.687 -11.424 570 HE1 PHE 69 HE1 PHE 69 150.958 0.319 -7.833 571 HE2 PHE 69 HE2 PHE 69 147.726 0.554 -10.593 572 HZ PHE 69 HZ PHE 69 149.064 1.567 -8.793 573 H ARG 70 HN ARG 70 151.412 -5.284 -7.903 574 HA ARG 70 HA ARG 70 149.766 -4.568 -5.714 575 1HB ARG 70 HB2 ARG 70 151.037 -6.567 -5.516 576 2HB ARG 70 HB1 ARG 70 152.529 -5.733 -5.925 577 1HG ARG 70 HG2 ARG 70 152.658 -4.699 -3.826 578 2HG ARG 70 HG1 ARG 70 150.975 -5.065 -3.450 579 1HD ARG 70 HD2 ARG 70 152.566 -6.506 -2.230 580 2HD ARG 70 HD1 ARG 70 151.473 -7.415 -3.272 581 HE ARG 70 HE ARG 70 153.265 -8.058 -4.556 582 1HH1 ARG 70 HH11 ARG 70 154.262 -5.519 -2.377 583 2HH1 ARG 70 HH12 ARG 70 155.949 -5.722 -2.714 584 1HH2 ARG 70 HH21 ARG 70 155.481 -8.325 -4.998 585 2HH2 ARG 70 HH22 ARG 70 156.641 -7.316 -4.201 586 H ALA 71 HN ALA 71 150.421 -3.240 -3.917 587 HA ALA 71 HA ALA 71 152.431 -1.205 -4.485 588 1HB ALA 71 HB1 ALA 71 150.723 0.515 -3.578 589 2HB ALA 71 HB2 ALA 71 149.514 -0.680 -4.049 590 3HB ALA 71 HB3 ALA 71 150.598 0.002 -5.262 591 H ASP 72 HN ASP 72 153.353 -0.275 -2.580 592 HA ASP 72 HA ASP 72 152.310 -1.428 -0.075 593 1HB ASP 72 HB2 ASP 72 154.445 -2.552 -1.188 594 2HB ASP 72 HB1 ASP 72 155.269 -1.214 -0.395 595 H ILE 73 HN ILE 73 152.528 -0.212 1.739 596 HA ILE 73 HA ILE 73 153.964 2.317 1.610 597 HB ILE 73 HB ILE 73 152.084 3.643 2.345 598 1HG1 ILE 73 HG12 ILE 73 150.415 1.136 2.047 599 2HG1 ILE 73 HG11 ILE 73 150.896 1.853 3.582 600 1HG2 ILE 73 HG21 ILE 73 152.518 3.000 -0.141 601 2HG2 ILE 73 HG22 ILE 73 151.065 3.899 0.299 602 3HG2 ILE 73 HG23 ILE 73 150.975 2.161 0.007 603 1HD1 ILE 73 HD11 ILE 73 148.540 2.315 2.557 604 2HD1 ILE 73 HD12 ILE 73 149.416 3.524 1.619 605 3HD1 ILE 73 HD13 ILE 73 149.431 3.595 3.381 606 H SER 74 HN SER 74 154.735 2.963 3.556 607 HA SER 74 HA SER 74 153.801 1.567 5.961 608 1HB SER 74 HB2 SER 74 156.305 1.494 6.640 609 2HB SER 74 HB1 SER 74 155.714 0.281 5.505 610 HG SER 74 HG SER 74 157.677 2.020 5.155 611 H GLU 75 HN GLU 75 153.548 2.848 7.664 612 HA GLU 75 HA GLU 75 154.631 5.577 7.449 613 1HB GLU 75 HB2 GLU 75 152.439 6.114 7.520 614 2HB GLU 75 HB1 GLU 75 151.974 4.528 8.107 615 1HG GLU 75 HG2 GLU 75 151.313 6.071 9.744 616 2HG GLU 75 HG1 GLU 75 152.742 5.263 10.383 617 H ASP 76 HN ASP 76 155.954 6.261 9.043 618 HA ASP 76 HA ASP 76 156.209 4.591 11.407 619 1HB ASP 76 HB2 ASP 76 158.203 5.856 9.648 620 2HB ASP 76 HB1 ASP 76 158.541 5.972 11.373 621 H TYR 77 HN TYR 77 157.291 5.897 13.278 622 HA TYR 77 HA TYR 77 156.385 8.653 13.383 623 1HB TYR 77 HB2 TYR 77 155.009 6.456 14.742 624 2HB TYR 77 HB1 TYR 77 155.448 7.783 15.812 625 HD1 TYR 77 HD1 TYR 77 153.046 6.586 13.520 626 HD2 TYR 77 HD2 TYR 77 154.828 10.172 14.953 627 HE1 TYR 77 HE1 TYR 77 151.102 7.863 12.720 628 HE2 TYR 77 HE2 TYR 77 152.887 11.461 14.159 629 HH TYR 77 HH TYR 77 150.564 10.176 12.055 630 H LYS 78 HN LYS 78 158.895 7.064 13.505 631 HA LYS 78 HA LYS 78 159.934 8.044 16.083 632 1HB LYS 78 HB2 LYS 78 160.109 5.526 15.518 633 2HB LYS 78 HB1 LYS 78 161.300 6.009 14.318 634 1HG LYS 78 HG2 LYS 78 162.735 5.630 16.007 635 2HG LYS 78 HG1 LYS 78 162.288 7.274 16.467 636 1HD LYS 78 HD2 LYS 78 160.313 5.808 17.649 637 2HD LYS 78 HD1 LYS 78 161.699 4.722 17.781 638 1HE LYS 78 HE2 LYS 78 162.839 6.119 19.175 639 2HE LYS 78 HE1 LYS 78 162.118 7.572 18.485 640 1HZ LYS 78 HZ1 LYS 78 161.180 5.891 20.660 641 2HZ LYS 78 HZ2 LYS 78 159.984 6.449 19.601 642 3HZ LYS 78 HZ3 LYS 78 160.979 7.554 20.409 643 H THR 79 HN THR 79 159.376 9.685 14.053 644 HA THR 79 HA THR 79 160.754 11.638 13.540 645 HB THR 79 HB THR 79 162.532 9.524 12.287 646 HG1 THR 79 HG1 THR 79 162.559 10.447 14.692 647 1HG2 THR 79 HG21 THR 79 162.897 11.166 10.776 648 2HG2 THR 79 HG22 THR 79 164.003 11.702 12.042 649 3HG2 THR 79 HG23 THR 79 162.413 12.449 11.884 650 H ARG 80 HN ARG 80 158.427 10.259 12.673 651 HA ARG 80 HA ARG 80 157.038 9.876 10.920 652 1HB ARG 80 HB2 ARG 80 156.719 11.854 9.508 653 2HB ARG 80 HB1 ARG 80 156.864 12.268 11.209 654 1HG ARG 80 HG2 ARG 80 158.806 13.396 10.911 655 2HG ARG 80 HG1 ARG 80 159.345 12.351 9.598 656 1HD ARG 80 HD2 ARG 80 157.228 14.490 9.429 657 2HD ARG 80 HD1 ARG 80 158.859 14.581 8.767 658 HE ARG 80 HE ARG 80 156.607 13.318 7.577 659 1HH1 ARG 80 HH11 ARG 80 160.073 13.081 7.904 660 2HH1 ARG 80 HH12 ARG 80 160.282 12.235 6.408 661 1HH2 ARG 80 HH21 ARG 80 156.878 12.205 5.609 662 2HH2 ARG 80 HH22 ARG 80 158.469 11.739 5.104 663 H GLY 81 HN GLY 81 158.212 8.025 10.160 664 1HA GLY 81 HA2 GLY 81 159.732 8.506 7.684 665 2HA GLY 81 HA1 GLY 81 159.835 7.052 8.666 666 H ARG 82 HN ARG 82 157.153 8.885 7.196 667 HA ARG 82 HA ARG 82 155.891 6.400 6.393 668 1HB ARG 82 HB2 ARG 82 154.700 8.486 7.340 669 2HB ARG 82 HB1 ARG 82 154.900 9.161 5.730 670 1HG ARG 82 HG2 ARG 82 153.682 6.466 5.973 671 2HG ARG 82 HG1 ARG 82 152.716 7.867 6.441 672 1HD ARG 82 HD2 ARG 82 153.799 8.679 4.064 673 2HD ARG 82 HD1 ARG 82 153.559 6.954 3.791 674 HE ARG 82 HE ARG 82 151.290 7.294 3.799 675 1HH1 ARG 82 HH11 ARG 82 152.878 10.141 5.045 676 2HH1 ARG 82 HH12 ARG 82 151.436 11.099 5.041 677 1HH2 ARG 82 HH21 ARG 82 149.391 8.552 3.797 678 2HH2 ARG 82 HH22 ARG 82 149.457 10.198 4.335 679 H LYS 83 HN LYS 83 155.263 5.948 4.184 680 HA LYS 83 HA LYS 83 156.077 7.497 2.008 681 1HB LYS 83 HB2 LYS 83 158.006 6.138 1.204 682 2HB LYS 83 HB1 LYS 83 158.339 7.081 2.649 683 1HG LYS 83 HG2 LYS 83 158.803 5.266 3.851 684 2HG LYS 83 HG1 LYS 83 157.371 4.415 3.269 685 1HD LYS 83 HD2 LYS 83 158.513 3.342 1.638 686 2HD LYS 83 HD1 LYS 83 159.548 4.734 1.305 687 1HE LYS 83 HE2 LYS 83 161.178 3.641 2.356 688 2HE LYS 83 HE1 LYS 83 160.289 3.920 3.854 689 1HZ LYS 83 HZ1 LYS 83 160.960 1.511 3.020 690 2HZ LYS 83 HZ2 LYS 83 159.463 1.637 2.241 691 3HZ LYS 83 HZ3 LYS 83 159.557 1.798 3.923 692 H LEU 84 HN LEU 84 155.336 6.794 0.112 693 HA LEU 84 HA LEU 84 154.242 4.057 -0.043 694 1HB LEU 84 HB2 LEU 84 153.098 6.100 -1.840 695 2HB LEU 84 HB1 LEU 84 152.306 4.797 -0.986 696 HG LEU 84 HG LEU 84 153.110 7.447 0.217 697 1HD1 LEU 84 HD11 LEU 84 150.871 6.735 -1.348 698 2HD1 LEU 84 HD12 LEU 84 151.147 8.230 -0.456 699 3HD1 LEU 84 HD13 LEU 84 150.313 6.884 0.319 700 1HD2 LEU 84 HD21 LEU 84 152.374 6.723 2.251 701 2HD2 LEU 84 HD22 LEU 84 153.033 5.216 1.616 702 3HD2 LEU 84 HD23 LEU 84 151.296 5.512 1.557 703 H LEU 85 HN LEU 85 154.757 2.903 -1.942 704 HA LEU 85 HA LEU 85 156.025 4.291 -4.145 705 1HB LEU 85 HB2 LEU 85 158.032 2.561 -3.760 706 2HB LEU 85 HB1 LEU 85 158.039 4.204 -3.148 707 HG LEU 85 HG LEU 85 156.856 2.123 -1.387 708 1HD1 LEU 85 HD11 LEU 85 159.786 2.405 -1.176 709 2HD1 LEU 85 HD12 LEU 85 159.200 1.448 -2.538 710 3HD1 LEU 85 HD13 LEU 85 158.752 1.005 -0.892 711 1HD2 LEU 85 HD21 LEU 85 157.559 4.797 -1.161 712 2HD2 LEU 85 HD22 LEU 85 158.847 3.951 -0.313 713 3HD2 LEU 85 HD23 LEU 85 157.169 3.703 0.167 714 H ARG 86 HN ARG 86 156.455 0.974 -2.947 715 HA ARG 86 HA ARG 86 156.538 -0.559 -5.030 716 1HB ARG 86 HB2 ARG 86 155.064 -0.866 -2.517 717 2HB ARG 86 HB1 ARG 86 154.530 -1.947 -3.796 718 1HG ARG 86 HG2 ARG 86 157.441 -1.690 -3.213 719 2HG ARG 86 HG1 ARG 86 156.421 -2.655 -2.145 720 1HD ARG 86 HD2 ARG 86 155.740 -4.056 -3.974 721 2HD ARG 86 HD1 ARG 86 156.571 -3.020 -5.132 722 HE ARG 86 HE ARG 86 158.287 -4.128 -3.104 723 1HH1 ARG 86 HH11 ARG 86 156.858 -4.639 -6.247 724 2HH1 ARG 86 HH12 ARG 86 158.078 -5.757 -6.758 725 1HH2 ARG 86 HH21 ARG 86 159.893 -5.595 -3.775 726 2HH2 ARG 86 HH22 ARG 86 159.803 -6.298 -5.354 727 H PHE 87 HN PHE 87 155.672 -0.724 -6.950 728 HA PHE 87 HA PHE 87 152.794 -0.371 -7.323 729 1HB PHE 87 HB2 PHE 87 154.779 1.565 -8.083 730 2HB PHE 87 HB1 PHE 87 154.037 0.906 -9.533 731 HD1 PHE 87 HD1 PHE 87 152.186 1.974 -10.342 732 HD2 PHE 87 HD2 PHE 87 153.010 2.170 -6.172 733 HE1 PHE 87 HE1 PHE 87 150.258 3.471 -10.035 734 HE2 PHE 87 HE2 PHE 87 151.083 3.666 -5.857 735 HZ PHE 87 HZ PHE 87 149.703 4.318 -7.790 736 H ASN 88 HN ASN 88 153.586 -2.810 -7.388 737 HA ASN 88 HA ASN 88 153.102 -3.812 -9.918 738 1HB ASN 88 HB2 ASN 88 155.703 -2.825 -9.831 739 2HB ASN 88 HB1 ASN 88 155.902 -4.557 -9.590 740 1HD2 ASN 88 HD21 ASN 88 156.269 -2.492 -11.868 741 2HD2 ASN 88 HD22 ASN 88 155.615 -3.317 -13.237 742 H GLY 89 HN GLY 89 152.963 -6.071 -9.943 743 1HA GLY 89 HA2 GLY 89 153.759 -7.437 -7.454 744 2HA GLY 89 HA1 GLY 89 152.114 -7.583 -8.055 745 HA PRO 90 HA PRO 90 155.392 -10.728 -9.876 746 1HB PRO 90 HB2 PRO 90 153.794 -12.555 -8.145 747 2HB PRO 90 HB1 PRO 90 155.520 -12.586 -8.523 748 1HG PRO 90 HG2 PRO 90 154.667 -11.721 -6.155 749 2HG PRO 90 HG1 PRO 90 156.022 -10.929 -6.980 750 1HD PRO 90 HD2 PRO 90 153.192 -10.030 -6.689 751 2HD PRO 90 HD1 PRO 90 154.687 -9.072 -6.707 752 H VAL 91 HN VAL 91 154.824 -12.177 -11.515 753 HA VAL 91 HA VAL 91 152.019 -12.014 -12.347 754 HB VAL 91 HB VAL 91 152.827 -12.744 -14.563 755 1HG1 VAL 91 HG11 VAL 91 152.746 -10.491 -14.665 756 2HG1 VAL 91 HG12 VAL 91 154.500 -10.642 -14.752 757 3HG1 VAL 91 HG13 VAL 91 153.721 -10.284 -13.211 758 1HG2 VAL 91 HG21 VAL 91 155.585 -12.299 -14.403 759 2HG2 VAL 91 HG22 VAL 91 154.762 -13.829 -14.702 760 3HG2 VAL 91 HG23 VAL 91 155.200 -13.372 -13.056 Start of MODEL 19 1 1H GLY 1 HT1 GLY 1 152.302 -3.954 18.651 2 2H GLY 1 HT2 GLY 1 152.231 -5.642 18.575 3 3H GLY 1 HT3 GLY 1 150.840 -4.755 18.946 4 1HA GLY 1 HA1 GLY 1 150.903 -3.734 16.729 5 2HA GLY 1 HA2 GLY 1 152.287 -4.750 16.353 6 H GLU 2 HN GLU 2 149.269 -4.481 15.543 7 HA GLU 2 HA GLU 2 148.948 -7.122 14.668 8 1HB GLU 2 HB2 GLU 2 148.502 -7.290 17.220 9 2HB GLU 2 HB1 GLU 2 146.971 -6.510 16.844 10 1HG GLU 2 HG2 GLU 2 146.680 -8.386 15.114 11 2HG GLU 2 HG1 GLU 2 147.967 -9.201 16.003 12 H TRP 3 HN TRP 3 147.115 -7.396 13.345 13 HA TRP 3 HA TRP 3 144.914 -5.712 13.173 14 1HB TRP 3 HB2 TRP 3 147.124 -4.286 12.406 15 2HB TRP 3 HB1 TRP 3 146.549 -4.908 10.863 16 HD1 TRP 3 HD1 TRP 3 145.389 -2.876 9.791 17 HE1 TRP 3 HE1 TRP 3 143.514 -1.260 10.495 18 HE3 TRP 3 HE3 TRP 3 144.807 -4.371 14.646 19 HZ2 TRP 3 HZ2 TRP 3 141.991 -0.694 12.802 20 HZ3 TRP 3 HZ3 TRP 3 143.121 -3.239 16.034 21 HH2 TRP 3 HH2 TRP 3 141.742 -1.439 15.130 22 H GLU 4 HN GLU 4 147.166 -6.823 10.639 23 HA GLU 4 HA GLU 4 146.910 -8.283 8.913 24 1HB GLU 4 HB2 GLU 4 145.498 -9.534 11.184 25 2HB GLU 4 HB1 GLU 4 145.071 -10.162 9.598 26 1HG GLU 4 HG2 GLU 4 147.243 -10.895 9.171 27 2HG GLU 4 HG1 GLU 4 147.929 -9.892 10.446 28 H ILE 5 HN ILE 5 145.151 -9.373 7.463 29 HA ILE 5 HA ILE 5 143.639 -7.423 6.264 30 HB ILE 5 HB ILE 5 144.189 -9.576 5.206 31 1HG1 ILE 5 HG12 ILE 5 141.790 -10.002 4.274 32 2HG1 ILE 5 HG11 ILE 5 141.341 -8.625 5.274 33 1HG2 ILE 5 HG21 ILE 5 141.876 -10.917 6.489 34 2HG2 ILE 5 HG22 ILE 5 143.369 -10.789 7.416 35 3HG2 ILE 5 HG23 ILE 5 143.371 -11.598 5.849 36 1HD1 ILE 5 HD11 ILE 5 143.688 -8.152 3.608 37 2HD1 ILE 5 HD12 ILE 5 142.250 -7.163 3.859 38 3HD1 ILE 5 HD13 ILE 5 142.214 -8.493 2.702 39 H ILE 6 HN ILE 6 141.530 -6.724 6.364 40 HA ILE 6 HA ILE 6 139.876 -7.792 8.554 41 HB ILE 6 HB ILE 6 140.020 -4.870 7.825 42 1HG1 ILE 6 HG12 ILE 6 141.307 -6.306 10.157 43 2HG1 ILE 6 HG11 ILE 6 142.164 -5.629 8.776 44 1HG2 ILE 6 HG21 ILE 6 139.014 -4.902 10.284 45 2HG2 ILE 6 HG22 ILE 6 138.470 -6.494 9.758 46 3HG2 ILE 6 HG23 ILE 6 138.000 -5.058 8.849 47 1HD1 ILE 6 HD11 ILE 6 141.874 -3.473 9.485 48 2HD1 ILE 6 HD12 ILE 6 142.000 -4.322 11.027 49 3HD1 ILE 6 HD13 ILE 6 140.418 -3.854 10.404 50 H GLU 7 HN GLU 7 139.541 -5.363 5.959 51 HA GLU 7 HA GLU 7 137.020 -6.676 5.194 52 1HB GLU 7 HB2 GLU 7 137.871 -3.848 4.566 53 2HB GLU 7 HB1 GLU 7 136.280 -4.557 4.323 54 1HG GLU 7 HG2 GLU 7 137.123 -4.782 7.075 55 2HG GLU 7 HG1 GLU 7 137.152 -3.109 6.522 56 H ILE 8 HN ILE 8 136.461 -6.270 2.806 57 HA ILE 8 HA ILE 8 138.867 -6.587 1.139 58 HB ILE 8 HB ILE 8 136.329 -8.177 0.762 59 1HG1 ILE 8 HG12 ILE 8 138.898 -9.434 1.623 60 2HG1 ILE 8 HG11 ILE 8 137.922 -8.623 2.842 61 1HG2 ILE 8 HG21 ILE 8 138.183 -9.531 -0.586 62 2HG2 ILE 8 HG22 ILE 8 138.886 -7.919 -0.708 63 3HG2 ILE 8 HG23 ILE 8 137.256 -8.216 -1.309 64 1HD1 ILE 8 HD11 ILE 8 137.156 -10.776 2.987 65 2HD1 ILE 8 HD12 ILE 8 137.321 -11.066 1.255 66 3HD1 ILE 8 HD13 ILE 8 135.996 -10.073 1.859 67 H GLY 9 HN GLY 9 136.328 -4.647 1.718 68 1HA GLY 9 HA2 GLY 9 135.668 -4.170 -1.104 69 2HA GLY 9 HA1 GLY 9 134.782 -3.543 0.277 70 HA PRO 10 HA PRO 10 136.810 0.334 -0.287 71 1HB PRO 10 HB2 PRO 10 136.905 1.222 2.302 72 2HB PRO 10 HB1 PRO 10 135.449 1.265 1.298 73 1HG PRO 10 HG2 PRO 10 136.258 -0.726 3.381 74 2HG PRO 10 HG1 PRO 10 134.665 -0.005 3.077 75 1HD PRO 10 HD2 PRO 10 135.280 -2.489 2.248 76 2HD PRO 10 HD1 PRO 10 134.222 -1.422 1.303 77 H PHE 11 HN PHE 11 137.996 -1.754 2.305 78 HA PHE 11 HA PHE 11 140.403 -0.610 2.913 79 1HB PHE 11 HB2 PHE 11 139.628 -2.533 4.122 80 2HB PHE 11 HB1 PHE 11 139.679 -3.532 2.675 81 HD1 PHE 11 HD1 PHE 11 141.546 -2.200 5.459 82 HD2 PHE 11 HD2 PHE 11 141.873 -4.181 1.707 83 HE1 PHE 11 HE1 PHE 11 143.835 -2.895 6.030 84 HE2 PHE 11 HE2 PHE 11 144.163 -4.881 2.272 85 HZ PHE 11 HZ PHE 11 145.146 -4.239 4.436 86 H THR 12 HN THR 12 139.522 -2.324 0.012 87 HA THR 12 HA THR 12 142.268 -2.491 -0.911 88 HB THR 12 HB THR 12 140.605 -3.211 -3.013 89 HG1 THR 12 HG1 THR 12 138.972 -4.381 -2.155 90 1HG2 THR 12 HG21 THR 12 141.008 -5.590 -2.078 91 2HG2 THR 12 HG22 THR 12 142.039 -4.760 -0.912 92 3HG2 THR 12 HG23 THR 12 142.373 -4.627 -2.638 93 H GLN 13 HN GLN 13 139.265 -1.235 -2.379 94 HA GLN 13 HA GLN 13 140.383 0.269 -4.384 95 1HB GLN 13 HB2 GLN 13 138.345 1.565 -4.428 96 2HB GLN 13 HB1 GLN 13 137.952 -0.113 -4.078 97 1HG GLN 13 HG2 GLN 13 136.884 0.495 -2.248 98 2HG GLN 13 HG1 GLN 13 138.353 1.234 -1.612 99 1HE2 GLN 13 HE21 GLN 13 138.039 3.240 -1.005 100 2HE2 GLN 13 HE22 GLN 13 137.005 4.394 -1.770 101 H ASN 14 HN ASN 14 140.282 0.944 -0.982 102 HA ASN 14 HA ASN 14 140.689 3.662 -0.882 103 1HB ASN 14 HB2 ASN 14 141.180 1.375 0.868 104 2HB ASN 14 HB1 ASN 14 142.345 2.670 1.118 105 1HD2 ASN 14 HD21 ASN 14 141.566 3.214 3.126 106 2HD2 ASN 14 HD22 ASN 14 140.038 3.986 3.364 107 H LEU 15 HN LEU 15 143.309 1.235 -0.718 108 HA LEU 15 HA LEU 15 145.421 2.994 -1.056 109 1HB LEU 15 HB2 LEU 15 145.323 0.378 -0.686 110 2HB LEU 15 HB1 LEU 15 145.540 0.344 -2.424 111 HG LEU 15 HG LEU 15 147.718 0.187 -1.722 112 1HD1 LEU 15 HD11 LEU 15 148.833 2.354 -1.939 113 2HD1 LEU 15 HD12 LEU 15 147.279 3.170 -1.758 114 3HD1 LEU 15 HD13 LEU 15 147.578 2.141 -3.159 115 1HD2 LEU 15 HD21 LEU 15 147.251 0.284 0.649 116 2HD2 LEU 15 HD22 LEU 15 147.044 2.033 0.560 117 3HD2 LEU 15 HD23 LEU 15 148.626 1.317 0.260 118 H GLY 16 HN GLY 16 143.131 1.748 -3.355 119 1HA GLY 16 HA2 GLY 16 144.461 2.294 -5.758 120 2HA GLY 16 HA1 GLY 16 142.714 2.312 -5.543 121 H LYS 17 HN LYS 17 142.434 4.384 -3.710 122 HA LYS 17 HA LYS 17 142.530 6.647 -5.404 123 1HB LYS 17 HB2 LYS 17 141.100 6.107 -3.237 124 2HB LYS 17 HB1 LYS 17 142.406 6.968 -2.434 125 1HG LYS 17 HG2 LYS 17 141.679 8.545 -4.638 126 2HG LYS 17 HG1 LYS 17 140.172 8.005 -3.894 127 1HD LYS 17 HD2 LYS 17 141.674 8.695 -1.715 128 2HD LYS 17 HD1 LYS 17 142.190 9.885 -2.911 129 1HE LYS 17 HE2 LYS 17 140.287 10.681 -1.581 130 2HE LYS 17 HE1 LYS 17 139.887 10.539 -3.292 131 1HZ LYS 17 HZ1 LYS 17 138.416 8.902 -2.903 132 2HZ LYS 17 HZ2 LYS 17 138.371 9.556 -1.344 133 3HZ LYS 17 HZ3 LYS 17 139.331 8.200 -1.665 134 H PHE 18 HN PHE 18 144.444 5.756 -2.547 135 HA PHE 18 HA PHE 18 146.226 7.948 -2.753 136 1HB PHE 18 HB2 PHE 18 146.113 5.428 -1.178 137 2HB PHE 18 HB1 PHE 18 147.684 6.209 -1.333 138 HD1 PHE 18 HD1 PHE 18 144.455 6.282 0.257 139 HD2 PHE 18 HD2 PHE 18 147.967 8.552 -0.527 140 HE1 PHE 18 HE1 PHE 18 143.854 7.831 2.072 141 HE2 PHE 18 HE2 PHE 18 147.374 10.104 1.287 142 HZ PHE 18 HZ PHE 18 145.315 9.745 2.589 143 H ALA 19 HN ALA 19 145.891 5.111 -4.536 144 HA ALA 19 HA ALA 19 148.560 4.522 -5.209 145 1HB ALA 19 HB1 ALA 19 146.142 3.392 -5.774 146 2HB ALA 19 HB2 ALA 19 147.670 2.938 -6.531 147 3HB ALA 19 HB3 ALA 19 146.591 4.077 -7.336 148 H VAL 20 HN VAL 20 146.096 6.333 -7.054 149 HA VAL 20 HA VAL 20 147.854 7.277 -9.033 150 HB VAL 20 HB VAL 20 145.426 7.363 -9.320 151 1HG1 VAL 20 HG11 VAL 20 144.654 7.885 -7.136 152 2HG1 VAL 20 HG12 VAL 20 144.157 9.212 -8.186 153 3HG1 VAL 20 HG13 VAL 20 145.543 9.408 -7.115 154 1HG2 VAL 20 HG21 VAL 20 146.689 8.826 -10.725 155 2HG2 VAL 20 HG22 VAL 20 146.817 10.032 -9.445 156 3HG2 VAL 20 HG23 VAL 20 145.254 9.700 -10.191 157 H ASP 21 HN ASP 21 147.019 8.481 -5.847 158 HA ASP 21 HA ASP 21 148.461 10.958 -6.184 159 1HB ASP 21 HB2 ASP 21 147.102 9.622 -3.854 160 2HB ASP 21 HB1 ASP 21 148.082 11.068 -3.635 161 H GLU 22 HN GLU 22 149.294 7.753 -5.490 162 HA GLU 22 HA GLU 22 151.720 8.484 -4.026 163 1HB GLU 22 HB2 GLU 22 150.581 6.662 -3.016 164 2HB GLU 22 HB1 GLU 22 150.334 5.862 -4.561 165 1HG GLU 22 HG2 GLU 22 152.790 5.508 -4.700 166 2HG GLU 22 HG1 GLU 22 152.931 6.171 -3.073 167 H GLU 23 HN GLU 23 150.612 7.224 -7.095 168 HA GLU 23 HA GLU 23 152.904 6.139 -8.162 169 1HB GLU 23 HB2 GLU 23 150.519 7.493 -9.278 170 2HB GLU 23 HB1 GLU 23 151.909 7.375 -10.347 171 1HG GLU 23 HG2 GLU 23 151.595 4.844 -9.167 172 2HG GLU 23 HG1 GLU 23 149.987 5.380 -9.649 173 H ASN 24 HN ASN 24 152.131 9.489 -7.603 174 HA ASN 24 HA ASN 24 154.268 10.541 -9.201 175 1HB ASN 24 HB2 ASN 24 152.255 11.664 -7.309 176 2HB ASN 24 HB1 ASN 24 153.690 12.623 -7.653 177 1HD2 ASN 24 HD21 ASN 24 151.632 10.513 -9.625 178 2HD2 ASN 24 HD22 ASN 24 151.293 11.693 -10.839 179 H LYS 25 HN LYS 25 153.967 9.343 -5.968 180 HA LYS 25 HA LYS 25 156.216 10.710 -4.873 181 1HB LYS 25 HB2 LYS 25 154.339 8.625 -4.001 182 2HB LYS 25 HB1 LYS 25 155.956 8.457 -3.332 183 1HG LYS 25 HG2 LYS 25 155.776 10.890 -2.650 184 2HG LYS 25 HG1 LYS 25 154.060 10.767 -3.050 185 1HD LYS 25 HD2 LYS 25 153.749 9.030 -1.418 186 2HD LYS 25 HD1 LYS 25 155.484 8.954 -1.105 187 1HE LYS 25 HE2 LYS 25 155.088 11.537 -0.585 188 2HE LYS 25 HE1 LYS 25 153.469 10.942 -0.217 189 1HZ LYS 25 HZ1 LYS 25 155.971 10.501 1.190 190 2HZ LYS 25 HZ2 LYS 25 154.951 9.157 1.076 191 3HZ LYS 25 HZ3 LYS 25 154.390 10.585 1.788 192 H ILE 26 HN ILE 26 156.121 7.179 -4.856 193 HA ILE 26 HA ILE 26 158.821 6.771 -5.081 194 HB ILE 26 HB ILE 26 157.195 5.006 -4.534 195 1HG1 ILE 26 HG12 ILE 26 159.031 4.357 -6.848 196 2HG1 ILE 26 HG11 ILE 26 159.474 4.380 -5.144 197 1HG2 ILE 26 HG21 ILE 26 156.590 5.061 -7.483 198 2HG2 ILE 26 HG22 ILE 26 155.486 5.445 -6.163 199 3HG2 ILE 26 HG23 ILE 26 156.069 3.795 -6.374 200 1HD1 ILE 26 HD11 ILE 26 158.551 2.214 -6.645 201 2HD1 ILE 26 HD12 ILE 26 157.237 2.639 -5.548 202 3HD1 ILE 26 HD13 ILE 26 158.838 2.279 -4.906 203 H GLY 27 HN GLY 27 156.486 7.175 -7.706 204 1HA GLY 27 HA2 GLY 27 158.657 6.933 -9.667 205 2HA GLY 27 HA1 GLY 27 156.940 6.892 -10.031 206 H GLN 28 HN GLN 28 158.953 8.495 -11.319 207 HA GLN 28 HA GLN 28 158.743 11.189 -10.374 208 1HB GLN 28 HB2 GLN 28 159.667 10.072 -13.028 209 2HB GLN 28 HB1 GLN 28 159.794 11.763 -12.564 210 1HG GLN 28 HG2 GLN 28 161.885 11.045 -12.032 211 2HG GLN 28 HG1 GLN 28 161.066 10.767 -10.496 212 1HE2 GLN 28 HE21 GLN 28 161.633 9.091 -13.576 213 2HE2 GLN 28 HE22 GLN 28 161.977 7.552 -12.870 214 H TYR 29 HN TYR 29 157.177 9.286 -12.905 215 HA TYR 29 HA TYR 29 155.120 11.382 -13.103 216 1HB TYR 29 HB2 TYR 29 156.884 10.538 -15.160 217 2HB TYR 29 HB1 TYR 29 155.285 9.927 -15.568 218 HD1 TYR 29 HD1 TYR 29 153.570 11.386 -16.322 219 HD2 TYR 29 HD2 TYR 29 157.214 12.994 -14.824 220 HE1 TYR 29 HE1 TYR 29 152.933 13.605 -17.169 221 HE2 TYR 29 HE2 TYR 29 156.586 15.217 -15.667 222 HH TYR 29 HH TYR 29 154.675 15.886 -17.847 223 H GLY 30 HN GLY 30 153.260 10.600 -12.371 224 1HA GLY 30 HA2 GLY 30 152.802 7.725 -12.327 225 2HA GLY 30 HA1 GLY 30 151.813 8.951 -11.550 226 H ARG 31 HN ARG 31 150.619 6.891 -12.885 227 HA ARG 31 HA ARG 31 149.340 8.322 -15.095 228 1HB ARG 31 HB2 ARG 31 151.132 6.359 -15.649 229 2HB ARG 31 HB1 ARG 31 149.653 5.416 -15.520 230 1HG ARG 31 HG2 ARG 31 148.833 7.479 -17.084 231 2HG ARG 31 HG1 ARG 31 150.516 7.302 -17.587 232 1HD ARG 31 HD2 ARG 31 149.057 5.933 -18.968 233 2HD ARG 31 HD1 ARG 31 150.137 4.922 -18.009 234 HE ARG 31 HE ARG 31 147.938 5.020 -16.473 235 1HH1 ARG 31 HH11 ARG 31 148.386 4.310 -19.862 236 2HH1 ARG 31 HH12 ARG 31 147.014 3.257 -19.949 237 1HH2 ARG 31 HH21 ARG 31 146.136 3.639 -16.588 238 2HH2 ARG 31 HH22 ARG 31 145.736 2.875 -18.091 239 H LEU 32 HN LEU 32 147.384 6.806 -15.856 240 HA LEU 32 HA LEU 32 145.668 6.642 -13.575 241 1HB LEU 32 HB2 LEU 32 145.397 6.496 -16.489 242 2HB LEU 32 HB1 LEU 32 144.274 5.465 -15.626 243 HG LEU 32 HG LEU 32 144.584 8.422 -15.116 244 1HD1 LEU 32 HD11 LEU 32 142.171 7.297 -16.415 245 2HD1 LEU 32 HD12 LEU 32 143.620 7.480 -17.405 246 3HD1 LEU 32 HD13 LEU 32 142.923 8.883 -16.593 247 1HD2 LEU 32 HD21 LEU 32 142.282 6.672 -14.330 248 2HD2 LEU 32 HD22 LEU 32 142.739 8.255 -13.703 249 3HD2 LEU 32 HD23 LEU 32 143.703 6.835 -13.299 250 H THR 33 HN THR 33 145.017 4.910 -12.440 251 HA THR 33 HA THR 33 145.380 2.222 -13.445 252 HB THR 33 HB THR 33 147.589 2.806 -12.465 253 HG1 THR 33 HG1 THR 33 147.762 0.849 -11.688 254 1HG2 THR 33 HG21 THR 33 147.807 3.862 -10.544 255 2HG2 THR 33 HG22 THR 33 146.973 2.550 -9.713 256 3HG2 THR 33 HG23 THR 33 146.054 3.904 -10.368 257 H PHE 34 HN PHE 34 143.095 3.753 -12.757 258 HA PHE 34 HA PHE 34 142.205 2.531 -10.239 259 1HB PHE 34 HB2 PHE 34 141.992 5.120 -11.053 260 2HB PHE 34 HB1 PHE 34 140.432 4.481 -11.562 261 HD1 PHE 34 HD1 PHE 34 139.683 2.630 -9.514 262 HD2 PHE 34 HD2 PHE 34 141.713 6.351 -9.141 263 HE1 PHE 34 HE1 PHE 34 138.842 2.855 -7.212 264 HE2 PHE 34 HE2 PHE 34 140.879 6.582 -6.839 265 HZ PHE 34 HZ PHE 34 139.441 4.832 -5.870 266 H ASN 35 HN ASN 35 142.388 1.006 -12.725 267 HA ASN 35 HA ASN 35 139.764 0.743 -13.819 268 1HB ASN 35 HB2 ASN 35 142.186 -0.011 -14.696 269 2HB ASN 35 HB1 ASN 35 141.648 -1.540 -14.009 270 1HD2 ASN 35 HD21 ASN 35 140.013 -2.664 -14.975 271 2HD2 ASN 35 HD22 ASN 35 139.347 -2.236 -16.510 272 H LYS 36 HN LYS 36 141.671 -1.259 -11.563 273 HA LYS 36 HA LYS 36 139.302 -1.990 -10.123 274 1HB LYS 36 HB2 LYS 36 139.764 -3.556 -12.297 275 2HB LYS 36 HB1 LYS 36 140.673 -4.425 -11.070 276 1HG LYS 36 HG2 LYS 36 138.591 -4.367 -9.650 277 2HG LYS 36 HG1 LYS 36 137.739 -3.774 -11.079 278 1HD LYS 36 HD2 LYS 36 138.044 -5.768 -12.239 279 2HD LYS 36 HD1 LYS 36 139.392 -6.269 -11.217 280 1HE LYS 36 HE2 LYS 36 137.202 -7.494 -10.872 281 2HE LYS 36 HE1 LYS 36 137.963 -6.825 -9.428 282 1HZ LYS 36 HZ1 LYS 36 135.390 -6.429 -10.186 283 2HZ LYS 36 HZ2 LYS 36 136.140 -5.001 -10.694 284 3HZ LYS 36 HZ3 LYS 36 136.240 -5.478 -9.074 285 H VAL 37 HN VAL 37 140.578 -1.002 -8.472 286 HA VAL 37 HA VAL 37 143.061 -2.255 -7.668 287 HB VAL 37 HB VAL 37 141.504 -0.230 -6.071 288 1HG1 VAL 37 HG11 VAL 37 144.314 0.157 -6.011 289 2HG1 VAL 37 HG12 VAL 37 143.989 -1.552 -5.722 290 3HG1 VAL 37 HG13 VAL 37 143.239 -0.327 -4.700 291 1HG2 VAL 37 HG21 VAL 37 141.657 1.121 -7.857 292 2HG2 VAL 37 HG22 VAL 37 142.884 0.123 -8.637 293 3HG2 VAL 37 HG23 VAL 37 143.348 1.270 -7.380 294 H ILE 38 HN ILE 38 142.884 -4.246 -6.708 295 HA ILE 38 HA ILE 38 141.304 -4.389 -4.308 296 HB ILE 38 HB ILE 38 140.110 -6.475 -5.007 297 1HG1 ILE 38 HG12 ILE 38 140.506 -5.661 -7.853 298 2HG1 ILE 38 HG11 ILE 38 141.773 -6.611 -7.082 299 1HG2 ILE 38 HG21 ILE 38 139.156 -4.121 -4.989 300 2HG2 ILE 38 HG22 ILE 38 138.304 -5.321 -5.959 301 3HG2 ILE 38 HG23 ILE 38 139.359 -4.144 -6.741 302 1HD1 ILE 38 HD11 ILE 38 138.975 -7.368 -7.748 303 2HD1 ILE 38 HD12 ILE 38 139.790 -8.161 -6.400 304 3HD1 ILE 38 HD13 ILE 38 140.479 -8.247 -8.022 305 H LYS 39 HN LYS 39 141.545 -7.534 -5.164 306 HA LYS 39 HA LYS 39 142.970 -9.256 -4.796 307 1HB LYS 39 HB2 LYS 39 144.806 -7.070 -5.225 308 2HB LYS 39 HB1 LYS 39 145.415 -8.147 -3.977 309 1HG LYS 39 HG2 LYS 39 146.300 -9.116 -5.843 310 2HG LYS 39 HG1 LYS 39 144.781 -10.005 -5.716 311 1HD LYS 39 HD2 LYS 39 143.843 -8.932 -7.516 312 2HD LYS 39 HD1 LYS 39 144.833 -7.486 -7.304 313 1HE LYS 39 HE2 LYS 39 145.307 -9.054 -9.306 314 2HE LYS 39 HE1 LYS 39 146.662 -8.425 -8.371 315 1HZ LYS 39 HZ1 LYS 39 145.545 -10.965 -7.488 316 2HZ LYS 39 HZ2 LYS 39 147.157 -10.457 -7.557 317 3HZ LYS 39 HZ3 LYS 39 146.378 -10.988 -8.961 318 HA PRO 40 HA PRO 40 142.716 -9.995 -0.483 319 1HB PRO 40 HB2 PRO 40 145.144 -11.220 0.092 320 2HB PRO 40 HB1 PRO 40 143.711 -12.035 -0.539 321 1HG PRO 40 HG2 PRO 40 146.128 -11.054 -1.988 322 2HG PRO 40 HG1 PRO 40 145.177 -12.527 -2.253 323 1HD PRO 40 HD2 PRO 40 144.938 -10.399 -3.860 324 2HD PRO 40 HD1 PRO 40 143.533 -11.401 -3.443 325 H CYS 41 HN CYS 41 146.185 -9.312 -0.947 326 HA CYS 41 HA CYS 41 147.591 -7.811 0.031 327 1HB CYS 41 HB2 CYS 41 145.383 -6.017 0.898 328 2HB CYS 41 HB1 CYS 41 146.900 -5.631 0.094 329 HG CYS 41 HG CYS 41 144.281 -6.445 -1.329 330 H MET 42 HN MET 42 147.324 -6.137 2.240 331 HA MET 42 HA MET 42 146.112 -7.357 4.473 332 1HB MET 42 HB2 MET 42 148.513 -8.609 3.633 333 2HB MET 42 HB1 MET 42 148.880 -7.732 5.111 334 1HG MET 42 HG2 MET 42 146.842 -8.857 6.113 335 2HG MET 42 HG1 MET 42 146.853 -9.901 4.693 336 1HE MET 42 HE1 MET 42 149.047 -8.207 7.104 337 2HE MET 42 HE2 MET 42 150.551 -9.115 6.966 338 3HE MET 42 HE3 MET 42 149.401 -9.504 8.244 339 H LYS 43 HN LYS 43 146.691 -6.329 6.498 340 HA LYS 43 HA LYS 43 148.199 -3.817 6.214 341 1HB LYS 43 HB2 LYS 43 145.420 -3.963 6.377 342 2HB LYS 43 HB1 LYS 43 145.924 -3.571 8.015 343 1HG LYS 43 HG2 LYS 43 147.442 -1.858 6.523 344 2HG LYS 43 HG1 LYS 43 145.942 -1.934 5.598 345 1HD LYS 43 HD2 LYS 43 145.149 -0.410 7.026 346 2HD LYS 43 HD1 LYS 43 145.077 -1.713 8.212 347 1HE LYS 43 HE2 LYS 43 147.708 -0.927 8.326 348 2HE LYS 43 HE1 LYS 43 146.858 0.595 8.064 349 1HZ LYS 43 HZ1 LYS 43 146.699 0.492 10.300 350 2HZ LYS 43 HZ2 LYS 43 146.791 -1.196 10.361 351 3HZ LYS 43 HZ3 LYS 43 145.334 -0.443 9.948 352 H LYS 44 HN LYS 44 148.622 -2.838 8.456 353 HA LYS 44 HA LYS 44 148.493 -4.470 10.762 354 1HB LYS 44 HB2 LYS 44 150.899 -4.705 9.041 355 2HB LYS 44 HB1 LYS 44 151.180 -4.563 10.770 356 1HG LYS 44 HG2 LYS 44 149.267 -6.451 10.765 357 2HG LYS 44 HG1 LYS 44 150.037 -6.779 9.211 358 1HD LYS 44 HD2 LYS 44 151.637 -6.441 11.731 359 2HD LYS 44 HD1 LYS 44 150.944 -7.999 11.274 360 1HE LYS 44 HE2 LYS 44 152.121 -7.325 8.956 361 2HE LYS 44 HE1 LYS 44 153.189 -6.489 10.083 362 1HZ LYS 44 HZ1 LYS 44 152.592 -9.384 9.943 363 2HZ LYS 44 HZ2 LYS 44 153.313 -8.680 11.301 364 3HZ LYS 44 HZ3 LYS 44 154.093 -8.618 9.801 365 H THR 45 HN THR 45 150.317 -3.608 12.407 366 HA THR 45 HA THR 45 151.282 -1.025 12.124 367 HB THR 45 HB THR 45 148.968 -0.312 12.065 368 HG1 THR 45 HG1 THR 45 150.161 0.259 14.571 369 1HG2 THR 45 HG21 THR 45 148.056 -0.720 14.676 370 2HG2 THR 45 HG22 THR 45 148.598 -2.292 14.090 371 3HG2 THR 45 HG23 THR 45 147.394 -1.380 13.179 372 H ILE 46 HN ILE 46 152.271 -0.167 14.038 373 HA ILE 46 HA ILE 46 152.291 -1.916 16.380 374 HB ILE 46 HB ILE 46 154.848 -1.760 16.386 375 1HG1 ILE 46 HG12 ILE 46 154.694 -0.139 14.339 376 2HG1 ILE 46 HG11 ILE 46 156.009 -1.305 14.430 377 1HG2 ILE 46 HG21 ILE 46 154.067 -3.900 16.191 378 2HG2 ILE 46 HG22 ILE 46 154.928 -3.730 14.662 379 3HG2 ILE 46 HG23 ILE 46 153.173 -3.559 14.711 380 1HD1 ILE 46 HD11 ILE 46 154.731 -0.987 12.213 381 2HD1 ILE 46 HD12 ILE 46 153.494 -1.986 12.975 382 3HD1 ILE 46 HD13 ILE 46 155.123 -2.618 12.753 383 H TYR 47 HN TYR 47 151.821 -0.540 17.945 384 HA TYR 47 HA TYR 47 153.227 2.043 17.990 385 1HB TYR 47 HB2 TYR 47 151.304 2.877 19.366 386 2HB TYR 47 HB1 TYR 47 150.870 2.446 17.716 387 HD1 TYR 47 HD1 TYR 47 149.782 0.171 17.325 388 HD2 TYR 47 HD2 TYR 47 150.195 1.906 21.188 389 HE1 TYR 47 HE1 TYR 47 148.021 -1.319 18.175 390 HE2 TYR 47 HE2 TYR 47 148.435 0.420 22.049 391 HH TYR 47 HH TYR 47 147.370 -1.672 21.524 392 H GLU 48 HN GLU 48 154.023 2.811 19.979 393 HA GLU 48 HA GLU 48 154.916 0.743 21.733 394 1HB GLU 48 HB2 GLU 48 156.396 2.577 21.206 395 2HB GLU 48 HB1 GLU 48 155.248 3.732 21.868 396 1HG GLU 48 HG2 GLU 48 156.938 3.461 23.486 397 2HG GLU 48 HG1 GLU 48 155.532 2.581 24.083 398 H ASN 49 HN ASN 49 153.608 3.790 22.802 399 HA ASN 49 HA ASN 49 151.261 2.839 24.008 400 1HB ASN 49 HB2 ASN 49 153.371 1.861 25.394 401 2HB ASN 49 HB1 ASN 49 153.144 3.399 26.223 402 1HD2 ASN 49 HD21 ASN 49 150.911 1.035 24.805 403 2HD2 ASN 49 HD22 ASN 49 149.965 0.817 26.235 404 H GLU 50 HN GLU 50 153.965 5.039 24.710 405 HA GLU 50 HA GLU 50 152.051 7.206 25.184 406 1HB GLU 50 HB2 GLU 50 154.958 6.810 25.834 407 2HB GLU 50 HB1 GLU 50 154.262 8.424 25.821 408 1HG GLU 50 HG2 GLU 50 152.773 7.901 27.577 409 2HG GLU 50 HG1 GLU 50 153.110 6.175 27.444 410 H ARG 51 HN ARG 51 152.458 6.177 22.542 411 HA ARG 51 HA ARG 51 152.712 6.917 20.413 412 1HB ARG 51 HB2 ARG 51 152.758 9.524 21.909 413 2HB ARG 51 HB1 ARG 51 152.994 9.477 20.168 414 1HG ARG 51 HG2 ARG 51 150.758 9.764 20.175 415 2HG ARG 51 HG1 ARG 51 150.772 8.007 20.328 416 1HD ARG 51 HD2 ARG 51 150.269 8.073 22.592 417 2HD ARG 51 HD1 ARG 51 150.834 9.732 22.770 418 HE ARG 51 HE ARG 51 148.731 10.439 22.259 419 1HH1 ARG 51 HH11 ARG 51 149.109 7.183 21.058 420 2HH1 ARG 51 HH12 ARG 51 147.459 7.046 20.550 421 1HH2 ARG 51 HH21 ARG 51 146.561 10.258 21.597 422 2HH2 ARG 51 HH22 ARG 51 146.011 8.792 20.857 423 H GLU 52 HN GLU 52 154.905 5.716 21.335 424 HA GLU 52 HA GLU 52 157.182 7.479 20.884 425 1HB GLU 52 HB2 GLU 52 157.202 4.551 21.596 426 2HB GLU 52 HB1 GLU 52 158.571 5.650 21.642 427 1HG GLU 52 HG2 GLU 52 156.994 6.969 23.301 428 2HG GLU 52 HG1 GLU 52 156.300 5.363 23.524 429 H ILE 53 HN ILE 53 155.341 5.102 19.260 430 HA ILE 53 HA ILE 53 156.984 5.461 16.900 431 HB ILE 53 HB ILE 53 158.018 3.504 17.598 432 1HG1 ILE 53 HG12 ILE 53 155.802 2.354 15.910 433 2HG1 ILE 53 HG11 ILE 53 157.012 3.447 15.248 434 1HG2 ILE 53 HG21 ILE 53 155.728 3.084 19.112 435 2HG2 ILE 53 HG22 ILE 53 157.193 2.105 19.093 436 3HG2 ILE 53 HG23 ILE 53 155.840 1.684 18.047 437 1HD1 ILE 53 HD11 ILE 53 157.174 0.670 15.546 438 2HD1 ILE 53 HD12 ILE 53 158.300 1.360 16.714 439 3HD1 ILE 53 HD13 ILE 53 158.437 1.777 15.007 440 H LYS 54 HN LYS 54 154.578 2.994 17.321 441 HA LYS 54 HA LYS 54 152.523 2.650 16.408 442 1HB LYS 54 HB2 LYS 54 151.931 4.740 17.573 443 2HB LYS 54 HB1 LYS 54 152.443 5.656 16.162 444 1HG LYS 54 HG2 LYS 54 150.683 4.733 14.838 445 2HG LYS 54 HG1 LYS 54 150.247 3.602 16.121 446 1HD LYS 54 HD2 LYS 54 150.074 5.977 17.428 447 2HD LYS 54 HD1 LYS 54 149.585 6.448 15.800 448 1HE LYS 54 HE2 LYS 54 147.637 5.343 15.938 449 2HE LYS 54 HE1 LYS 54 148.373 3.955 16.739 450 1HZ LYS 54 HZ1 LYS 54 148.485 5.662 18.719 451 2HZ LYS 54 HZ2 LYS 54 147.095 4.746 18.423 452 3HZ LYS 54 HZ3 LYS 54 147.173 6.353 17.903 453 H GLY 55 HN GLY 55 154.076 1.794 14.729 454 1HA GLY 55 HA2 GLY 55 153.938 3.341 12.234 455 2HA GLY 55 HA1 GLY 55 154.978 1.957 12.518 456 H TYR 56 HN TYR 56 152.242 2.981 10.955 457 HA TYR 56 HA TYR 56 151.102 0.272 10.948 458 1HB TYR 56 HB2 TYR 56 149.086 1.529 9.888 459 2HB TYR 56 HB1 TYR 56 149.353 1.629 11.624 460 HD1 TYR 56 HD1 TYR 56 150.483 3.691 12.554 461 HD2 TYR 56 HD2 TYR 56 149.058 3.469 8.553 462 HE1 TYR 56 HE1 TYR 56 150.505 6.145 12.417 463 HE2 TYR 56 HE2 TYR 56 149.079 5.923 8.403 464 HH TYR 56 HH TYR 56 150.614 7.894 10.710 465 H GLU 57 HN GLU 57 151.213 -0.917 9.184 466 HA GLU 57 HA GLU 57 152.115 0.370 6.700 467 1HB GLU 57 HB2 GLU 57 152.972 -1.814 6.039 468 2HB GLU 57 HB1 GLU 57 153.623 -1.350 7.605 469 1HG GLU 57 HG2 GLU 57 151.476 -2.746 8.403 470 2HG GLU 57 HG1 GLU 57 151.818 -3.561 6.878 471 H TYR 58 HN TYR 58 150.972 0.198 4.863 472 HA TYR 58 HA TYR 58 148.498 -1.406 4.936 473 1HB TYR 58 HB2 TYR 58 148.520 1.294 5.036 474 2HB TYR 58 HB1 TYR 58 148.538 1.064 3.292 475 HD1 TYR 58 HD1 TYR 58 146.402 1.995 5.611 476 HD2 TYR 58 HD2 TYR 58 146.825 -1.256 2.899 477 HE1 TYR 58 HE1 TYR 58 143.965 1.667 5.635 478 HE2 TYR 58 HE2 TYR 58 144.389 -1.595 2.915 479 HH TYR 58 HH TYR 58 142.346 -0.260 3.387 480 H GLN 59 HN GLN 59 148.845 -3.046 3.568 481 HA GLN 59 HA GLN 59 150.245 -2.521 1.041 482 1HB GLN 59 HB2 GLN 59 149.534 -5.219 2.188 483 2HB GLN 59 HB1 GLN 59 150.685 -4.864 0.908 484 1HG GLN 59 HG2 GLN 59 152.285 -4.091 2.373 485 2HG GLN 59 HG1 GLN 59 151.103 -3.720 3.629 486 1HE2 GLN 59 HE21 GLN 59 152.166 -4.853 5.218 487 2HE2 GLN 59 HE22 GLN 59 152.260 -6.578 5.239 488 H LEU 60 HN LEU 60 149.236 -2.725 -0.891 489 HA LEU 60 HA LEU 60 146.663 -4.016 -1.036 490 1HB LEU 60 HB2 LEU 60 146.832 -1.265 -0.724 491 2HB LEU 60 HB1 LEU 60 146.556 -1.486 -2.441 492 HG LEU 60 HG LEU 60 144.483 -1.142 -1.114 493 1HD1 LEU 60 HD11 LEU 60 143.328 -2.342 -2.589 494 2HD1 LEU 60 HD12 LEU 60 144.076 -3.857 -2.090 495 3HD1 LEU 60 HD13 LEU 60 144.906 -2.798 -3.229 496 1HD2 LEU 60 HD21 LEU 60 144.929 -3.907 -0.037 497 2HD2 LEU 60 HD22 LEU 60 143.682 -2.743 0.410 498 3HD2 LEU 60 HD23 LEU 60 145.360 -2.456 0.865 499 H TYR 61 HN TYR 61 145.945 -4.479 -3.224 500 HA TYR 61 HA TYR 61 148.146 -4.339 -5.182 501 1HB TYR 61 HB2 TYR 61 146.500 -6.589 -4.258 502 2HB TYR 61 HB1 TYR 61 146.638 -6.471 -6.008 503 HD1 TYR 61 HD1 TYR 61 148.733 -6.916 -7.113 504 HD2 TYR 61 HD2 TYR 61 148.479 -6.971 -2.867 505 HE1 TYR 61 HE1 TYR 61 150.935 -8.005 -7.001 506 HE2 TYR 61 HE2 TYR 61 150.680 -8.059 -2.743 507 HH TYR 61 HH TYR 61 152.837 -8.128 -5.177 508 H VAL 62 HN VAL 62 147.629 -2.912 -6.694 509 HA VAL 62 HA VAL 62 144.845 -2.345 -7.277 510 HB VAL 62 HB VAL 62 147.289 -1.075 -8.509 511 1HG1 VAL 62 HG11 VAL 62 144.543 -0.829 -9.072 512 2HG1 VAL 62 HG12 VAL 62 145.871 0.153 -9.692 513 3HG1 VAL 62 HG13 VAL 62 145.018 0.646 -8.230 514 1HG2 VAL 62 HG21 VAL 62 147.708 -0.366 -6.417 515 2HG2 VAL 62 HG22 VAL 62 146.085 -0.762 -5.848 516 3HG2 VAL 62 HG23 VAL 62 146.372 0.746 -6.718 517 H TYR 63 HN TYR 63 143.904 -3.822 -8.590 518 HA TYR 63 HA TYR 63 145.366 -4.896 -10.864 519 1HB TYR 63 HB2 TYR 63 143.513 -6.052 -9.306 520 2HB TYR 63 HB1 TYR 63 142.448 -5.401 -10.547 521 HD1 TYR 63 HD1 TYR 63 143.098 -8.358 -9.810 522 HD2 TYR 63 HD2 TYR 63 144.515 -5.725 -12.837 523 HE1 TYR 63 HE1 TYR 63 143.594 -10.289 -11.251 524 HE2 TYR 63 HE2 TYR 63 145.015 -7.648 -14.284 525 HH TYR 63 HH TYR 63 145.098 -10.824 -13.164 526 H ALA 64 HN ALA 64 145.669 -2.796 -11.864 527 HA ALA 64 HA ALA 64 143.283 -1.536 -12.969 528 1HB ALA 64 HB1 ALA 64 145.171 0.053 -13.883 529 2HB ALA 64 HB2 ALA 64 146.115 -0.715 -12.607 530 3HB ALA 64 HB3 ALA 64 144.627 0.144 -12.209 531 H SER 65 HN SER 65 143.886 -0.524 -15.286 532 HA SER 65 HA SER 65 143.647 -2.611 -17.123 533 1HB SER 65 HB2 SER 65 144.269 -0.774 -18.826 534 2HB SER 65 HB1 SER 65 142.835 -0.516 -17.833 535 HG SER 65 HG SER 65 145.002 1.011 -18.027 536 H ASP 66 HN ASP 66 146.458 -1.174 -15.724 537 HA ASP 66 HA ASP 66 148.243 -2.187 -17.719 538 1HB ASP 66 HB2 ASP 66 148.403 -0.067 -16.035 539 2HB ASP 66 HB1 ASP 66 149.377 -1.253 -15.171 540 H LYS 67 HN LYS 67 146.529 -3.957 -15.945 541 HA LYS 67 HA LYS 67 146.790 -6.161 -15.355 542 1HB LYS 67 HB2 LYS 67 149.758 -5.678 -15.070 543 2HB LYS 67 HB1 LYS 67 148.929 -7.225 -15.130 544 1HG LYS 67 HG2 LYS 67 148.542 -5.446 -17.451 545 2HG LYS 67 HG1 LYS 67 150.152 -6.137 -17.237 546 1HD LYS 67 HD2 LYS 67 148.475 -8.280 -16.783 547 2HD LYS 67 HD1 LYS 67 147.668 -7.405 -18.085 548 1HE LYS 67 HE2 LYS 67 149.152 -8.140 -19.566 549 2HE LYS 67 HE1 LYS 67 150.490 -7.532 -18.593 550 1HZ LYS 67 HZ1 LYS 67 149.174 -10.182 -18.361 551 2HZ LYS 67 HZ2 LYS 67 150.313 -9.596 -17.257 552 3HZ LYS 67 HZ3 LYS 67 150.758 -9.868 -18.866 553 H LEU 68 HN LEU 68 148.094 -7.323 -13.341 554 HA LEU 68 HA LEU 68 146.955 -6.058 -11.065 555 1HB LEU 68 HB2 LEU 68 148.155 -7.931 -9.827 556 2HB LEU 68 HB1 LEU 68 146.940 -8.391 -11.004 557 HG LEU 68 HG LEU 68 149.671 -8.249 -12.082 558 1HD1 LEU 68 HD11 LEU 68 149.161 -10.678 -10.472 559 2HD1 LEU 68 HD12 LEU 68 149.676 -9.232 -9.607 560 3HD1 LEU 68 HD13 LEU 68 150.682 -9.894 -10.896 561 1HD2 LEU 68 HD21 LEU 68 147.194 -9.794 -12.402 562 2HD2 LEU 68 HD22 LEU 68 148.682 -10.718 -12.618 563 3HD2 LEU 68 HD23 LEU 68 148.382 -9.285 -13.603 564 H PHE 69 HN PHE 69 147.819 -4.236 -10.301 565 HA PHE 69 HA PHE 69 150.735 -4.026 -10.052 566 1HB PHE 69 HB2 PHE 69 148.506 -2.041 -10.227 567 2HB PHE 69 HB1 PHE 69 149.959 -1.580 -9.353 568 HD1 PHE 69 HD1 PHE 69 150.206 -3.866 -12.185 569 HD2 PHE 69 HD2 PHE 69 150.400 0.203 -10.948 570 HE1 PHE 69 HE1 PHE 69 151.293 -3.275 -14.311 571 HE2 PHE 69 HE2 PHE 69 151.486 0.799 -13.073 572 HZ PHE 69 HZ PHE 69 151.935 -0.940 -14.758 573 H ARG 70 HN ARG 70 150.929 -2.241 -7.924 574 HA ARG 70 HA ARG 70 149.427 -2.994 -5.682 575 1HB ARG 70 HB2 ARG 70 150.570 -5.128 -5.948 576 2HB ARG 70 HB1 ARG 70 152.129 -4.315 -5.956 577 1HG ARG 70 HG2 ARG 70 151.355 -3.467 -3.602 578 2HG ARG 70 HG1 ARG 70 150.284 -4.868 -3.685 579 1HD ARG 70 HD2 ARG 70 151.973 -6.145 -3.024 580 2HD ARG 70 HD1 ARG 70 152.807 -5.765 -4.530 581 HE ARG 70 HE ARG 70 153.147 -3.757 -2.509 582 1HH1 ARG 70 HH11 ARG 70 154.332 -6.808 -3.720 583 2HH1 ARG 70 HH12 ARG 70 155.911 -6.610 -3.038 584 1HH2 ARG 70 HH21 ARG 70 155.224 -3.495 -1.608 585 2HH2 ARG 70 HH22 ARG 70 156.417 -4.729 -1.838 586 H ALA 71 HN ALA 71 149.765 -1.660 -3.986 587 HA ALA 71 HA ALA 71 152.109 0.124 -4.089 588 1HB ALA 71 HB1 ALA 71 150.591 1.877 -3.098 589 2HB ALA 71 HB2 ALA 71 149.242 0.816 -3.504 590 3HB ALA 71 HB3 ALA 71 150.274 1.458 -4.781 591 H ASP 72 HN ASP 72 153.265 0.288 -2.153 592 HA ASP 72 HA ASP 72 151.946 -1.011 0.154 593 1HB ASP 72 HB2 ASP 72 154.209 -1.892 -1.046 594 2HB ASP 72 HB1 ASP 72 154.901 -0.810 0.160 595 H ILE 73 HN ILE 73 151.413 0.338 1.699 596 HA ILE 73 HA ILE 73 152.892 2.858 1.976 597 HB ILE 73 HB ILE 73 150.211 2.122 3.157 598 1HG1 ILE 73 HG12 ILE 73 150.796 3.952 0.823 599 2HG1 ILE 73 HG11 ILE 73 150.263 2.283 0.648 600 1HG2 ILE 73 HG21 ILE 73 151.977 4.489 3.352 601 2HG2 ILE 73 HG22 ILE 73 150.854 3.810 4.529 602 3HG2 ILE 73 HG23 ILE 73 150.246 4.788 3.195 603 1HD1 ILE 73 HD11 ILE 73 148.382 3.732 0.391 604 2HD1 ILE 73 HD12 ILE 73 148.744 4.547 1.912 605 3HD1 ILE 73 HD13 ILE 73 148.217 2.864 1.919 606 H SER 74 HN SER 74 153.950 3.367 3.802 607 HA SER 74 HA SER 74 153.638 1.678 6.164 608 1HB SER 74 HB2 SER 74 155.949 1.180 6.369 609 2HB SER 74 HB1 SER 74 155.562 0.846 4.681 610 HG SER 74 HG SER 74 156.641 2.615 4.062 611 H GLU 75 HN GLU 75 153.811 2.805 8.049 612 HA GLU 75 HA GLU 75 154.937 5.504 7.936 613 1HB GLU 75 HB2 GLU 75 152.418 5.058 9.484 614 2HB GLU 75 HB1 GLU 75 153.064 6.552 8.822 615 1HG GLU 75 HG2 GLU 75 152.589 5.187 6.549 616 2HG GLU 75 HG1 GLU 75 151.330 4.524 7.588 617 H ASP 76 HN ASP 76 156.638 4.017 8.974 618 HA ASP 76 HA ASP 76 156.015 3.453 11.738 619 1HB ASP 76 HB2 ASP 76 157.722 2.221 9.784 620 2HB ASP 76 HB1 ASP 76 158.647 2.623 11.227 621 H TYR 77 HN TYR 77 158.371 3.642 13.020 622 HA TYR 77 HA TYR 77 159.523 6.251 12.517 623 1HB TYR 77 HB2 TYR 77 157.976 5.702 15.051 624 2HB TYR 77 HB1 TYR 77 158.882 7.171 14.689 625 HD1 TYR 77 HD1 TYR 77 158.059 8.756 13.022 626 HD2 TYR 77 HD2 TYR 77 155.833 5.276 14.028 627 HE1 TYR 77 HE1 TYR 77 156.072 9.728 11.947 628 HE2 TYR 77 HE2 TYR 77 153.835 6.236 12.959 629 HH TYR 77 HH TYR 77 153.979 9.048 10.989 630 H LYS 78 HN LYS 78 159.506 3.231 14.233 631 HA LYS 78 HA LYS 78 161.744 3.721 15.910 632 1HB LYS 78 HB2 LYS 78 160.203 1.863 16.336 633 2HB LYS 78 HB1 LYS 78 160.661 1.115 14.812 634 1HG LYS 78 HG2 LYS 78 163.045 1.101 15.775 635 2HG LYS 78 HG1 LYS 78 162.258 1.385 17.328 636 1HD LYS 78 HD2 LYS 78 160.754 -0.649 16.446 637 2HD LYS 78 HD1 LYS 78 162.261 -1.023 15.606 638 1HE LYS 78 HE2 LYS 78 163.346 -1.554 17.514 639 2HE LYS 78 HE1 LYS 78 162.533 -0.300 18.448 640 1HZ LYS 78 HZ1 LYS 78 160.496 -1.840 18.198 641 2HZ LYS 78 HZ2 LYS 78 161.685 -2.233 19.336 642 3HZ LYS 78 HZ3 LYS 78 161.638 -3.041 17.852 643 H THR 79 HN THR 79 161.287 2.539 12.665 644 HA THR 79 HA THR 79 164.089 3.044 12.065 645 HB THR 79 HB THR 79 163.859 0.820 10.618 646 HG1 THR 79 HG1 THR 79 162.257 0.290 12.895 647 1HG2 THR 79 HG21 THR 79 164.453 0.597 13.552 648 2HG2 THR 79 HG22 THR 79 165.572 1.279 12.372 649 3HG2 THR 79 HG23 THR 79 165.073 -0.406 12.240 650 H ARG 80 HN ARG 80 161.269 4.087 11.491 651 HA ARG 80 HA ARG 80 161.674 4.454 8.660 652 1HB ARG 80 HB2 ARG 80 158.953 3.763 9.694 653 2HB ARG 80 HB1 ARG 80 159.472 3.869 8.024 654 1HG ARG 80 HG2 ARG 80 161.100 1.926 8.756 655 2HG ARG 80 HG1 ARG 80 159.862 1.675 9.989 656 1HD ARG 80 HD2 ARG 80 158.377 1.995 7.707 657 2HD ARG 80 HD1 ARG 80 159.797 1.136 7.115 658 HE ARG 80 HE ARG 80 157.747 0.117 8.876 659 1HH1 ARG 80 HH11 ARG 80 161.005 -0.292 7.690 660 2HH1 ARG 80 HH12 ARG 80 161.066 -1.979 8.075 661 1HH2 ARG 80 HH21 ARG 80 157.825 -2.099 9.381 662 2HH2 ARG 80 HH22 ARG 80 159.261 -3.005 9.035 663 H GLY 81 HN GLY 81 159.367 5.736 8.058 664 1HA GLY 81 HA2 GLY 81 159.075 7.951 9.949 665 2HA GLY 81 HA1 GLY 81 159.540 8.307 8.284 666 H ARG 82 HN ARG 82 158.133 7.420 6.580 667 HA ARG 82 HA ARG 82 155.779 6.259 6.632 668 1HB ARG 82 HB2 ARG 82 154.744 7.459 8.323 669 2HB ARG 82 HB1 ARG 82 155.437 8.987 7.801 670 1HG ARG 82 HG2 ARG 82 153.536 7.663 5.954 671 2HG ARG 82 HG1 ARG 82 152.878 8.361 7.435 672 1HD ARG 82 HD2 ARG 82 154.034 10.494 6.858 673 2HD ARG 82 HD1 ARG 82 154.489 9.773 5.315 674 HE ARG 82 HE ARG 82 152.386 10.212 4.561 675 1HH1 ARG 82 HH11 ARG 82 152.303 10.171 8.050 676 2HH1 ARG 82 HH12 ARG 82 150.645 10.658 8.140 677 1HH2 ARG 82 HH21 ARG 82 150.203 10.852 4.680 678 2HH2 ARG 82 HH22 ARG 82 149.453 11.044 6.228 679 H LYS 83 HN LYS 83 154.966 6.131 4.647 680 HA LYS 83 HA LYS 83 154.553 8.111 2.801 681 1HB LYS 83 HB2 LYS 83 156.567 7.689 1.254 682 2HB LYS 83 HB1 LYS 83 156.777 8.767 2.626 683 1HG LYS 83 HG2 LYS 83 158.267 7.418 3.622 684 2HG LYS 83 HG1 LYS 83 157.392 5.951 3.174 685 1HD LYS 83 HD2 LYS 83 159.129 5.627 1.778 686 2HD LYS 83 HD1 LYS 83 158.280 6.782 0.749 687 1HE LYS 83 HE2 LYS 83 159.602 8.603 1.674 688 2HE LYS 83 HE1 LYS 83 160.418 7.480 2.762 689 1HZ LYS 83 HZ1 LYS 83 161.686 6.643 1.099 690 2HZ LYS 83 HZ2 LYS 83 161.446 8.189 0.453 691 3HZ LYS 83 HZ3 LYS 83 160.514 6.889 -0.097 692 H LEU 84 HN LEU 84 153.987 7.412 0.719 693 HA LEU 84 HA LEU 84 153.526 4.511 0.507 694 1HB LEU 84 HB2 LEU 84 152.193 6.494 -1.289 695 2HB LEU 84 HB1 LEU 84 151.603 4.946 -0.714 696 HG LEU 84 HG LEU 84 151.512 6.151 1.607 697 1HD1 LEU 84 HD11 LEU 84 152.324 8.243 1.444 698 2HD1 LEU 84 HD12 LEU 84 150.700 8.608 0.862 699 3HD1 LEU 84 HD13 LEU 84 152.010 8.346 -0.288 700 1HD2 LEU 84 HD21 LEU 84 149.422 7.136 -0.258 701 2HD2 LEU 84 HD22 LEU 84 149.260 6.349 1.311 702 3HD2 LEU 84 HD23 LEU 84 149.654 5.393 -0.119 703 H LEU 85 HN LEU 85 154.370 3.387 -1.286 704 HA LEU 85 HA LEU 85 155.519 4.918 -3.468 705 1HB LEU 85 HB2 LEU 85 157.750 3.580 -2.935 706 2HB LEU 85 HB1 LEU 85 157.424 5.176 -2.286 707 HG LEU 85 HG LEU 85 156.610 2.763 -0.709 708 1HD1 LEU 85 HD11 LEU 85 159.152 2.881 -1.583 709 2HD1 LEU 85 HD12 LEU 85 158.693 2.247 -0.002 710 3HD1 LEU 85 HD13 LEU 85 159.275 3.905 -0.153 711 1HD2 LEU 85 HD21 LEU 85 155.912 4.505 0.525 712 2HD2 LEU 85 HD22 LEU 85 156.981 5.650 -0.285 713 3HD2 LEU 85 HD23 LEU 85 157.602 4.620 1.006 714 H ARG 86 HN ARG 86 156.362 1.721 -2.175 715 HA ARG 86 HA ARG 86 156.883 0.194 -4.185 716 1HB ARG 86 HB2 ARG 86 155.203 -0.315 -1.826 717 2HB ARG 86 HB1 ARG 86 155.094 -1.521 -3.100 718 1HG ARG 86 HG2 ARG 86 157.792 -0.640 -2.223 719 2HG ARG 86 HG1 ARG 86 156.867 -1.705 -1.163 720 1HD ARG 86 HD2 ARG 86 157.795 -3.341 -2.394 721 2HD ARG 86 HD1 ARG 86 156.523 -2.939 -3.548 722 HE ARG 86 HE ARG 86 158.518 -1.268 -4.253 723 1HH1 ARG 86 HH11 ARG 86 158.407 -4.712 -3.698 724 2HH1 ARG 86 HH12 ARG 86 159.668 -5.062 -4.831 725 1HH2 ARG 86 HH21 ARG 86 160.176 -1.726 -5.744 726 2HH2 ARG 86 HH22 ARG 86 160.674 -3.366 -5.993 727 H PHE 87 HN PHE 87 156.053 1.109 -6.137 728 HA PHE 87 HA PHE 87 153.269 0.347 -6.714 729 1HB PHE 87 HB2 PHE 87 154.440 2.811 -7.028 730 2HB PHE 87 HB1 PHE 87 154.579 2.127 -8.644 731 HD1 PHE 87 HD1 PHE 87 152.588 1.562 -9.931 732 HD2 PHE 87 HD2 PHE 87 152.306 3.369 -6.089 733 HE1 PHE 87 HE1 PHE 87 150.236 2.130 -10.376 734 HE2 PHE 87 HE2 PHE 87 149.953 3.941 -6.527 735 HZ PHE 87 HZ PHE 87 148.915 3.321 -8.672 736 H ASN 88 HN ASN 88 153.811 -1.812 -7.201 737 HA ASN 88 HA ASN 88 154.657 -2.189 -9.934 738 1HB ASN 88 HB2 ASN 88 156.606 -2.404 -7.954 739 2HB ASN 88 HB1 ASN 88 156.138 -4.070 -8.279 740 1HD2 ASN 88 HD21 ASN 88 158.127 -4.529 -9.209 741 2HD2 ASN 88 HD22 ASN 88 158.563 -3.952 -10.778 742 H GLY 89 HN GLY 89 154.787 -4.771 -10.269 743 1HA GLY 89 HA2 GLY 89 153.051 -6.333 -8.636 744 2HA GLY 89 HA1 GLY 89 152.207 -5.733 -10.054 745 HA PRO 90 HA PRO 90 155.971 -8.592 -11.546 746 1HB PRO 90 HB2 PRO 90 155.935 -10.327 -9.124 747 2HB PRO 90 HB1 PRO 90 157.296 -9.847 -10.144 748 1HG PRO 90 HG2 PRO 90 156.944 -8.743 -7.749 749 2HG PRO 90 HG1 PRO 90 157.501 -7.773 -9.126 750 1HD PRO 90 HD2 PRO 90 154.800 -7.892 -7.855 751 2HD PRO 90 HD1 PRO 90 155.661 -6.506 -8.556 752 H VAL 91 HN VAL 91 155.873 -11.108 -11.898 753 HA VAL 91 HA VAL 91 153.055 -11.743 -12.329 754 HB VAL 91 HB VAL 91 153.988 -13.630 -13.729 755 1HG1 VAL 91 HG11 VAL 91 153.175 -11.664 -14.810 756 2HG1 VAL 91 HG12 VAL 91 154.700 -12.105 -15.578 757 3HG1 VAL 91 HG13 VAL 91 154.647 -10.774 -14.422 758 1HG2 VAL 91 HG21 VAL 91 156.593 -12.144 -13.589 759 2HG2 VAL 91 HG22 VAL 91 156.263 -13.737 -14.269 760 3HG2 VAL 91 HG23 VAL 91 156.243 -13.504 -12.520 Start of MODEL 20 1 1H GLY 1 HT1 GLY 1 152.138 -4.156 16.595 2 2H GLY 1 HT2 GLY 1 150.707 -4.407 17.459 3 3H GLY 1 HT3 GLY 1 150.714 -3.374 16.119 4 1HA GLY 1 HA1 GLY 1 151.359 -5.325 14.718 5 2HA GLY 1 HA2 GLY 1 151.032 -6.321 16.129 6 H GLU 2 HN GLU 2 149.665 -4.450 13.557 7 HA GLU 2 HA GLU 2 146.997 -4.322 14.382 8 1HB GLU 2 HB2 GLU 2 148.470 -3.776 12.016 9 2HB GLU 2 HB1 GLU 2 147.083 -4.749 11.559 10 1HG GLU 2 HG2 GLU 2 146.684 -2.415 13.363 11 2HG GLU 2 HG1 GLU 2 146.934 -2.142 11.640 12 H TRP 3 HN TRP 3 145.509 -5.587 12.372 13 HA TRP 3 HA TRP 3 145.841 -8.410 13.133 14 1HB TRP 3 HB2 TRP 3 143.550 -6.627 13.221 15 2HB TRP 3 HB1 TRP 3 143.199 -8.093 12.310 16 HD1 TRP 3 HD1 TRP 3 144.699 -10.256 13.973 17 HE1 TRP 3 HE1 TRP 3 143.937 -10.845 16.362 18 HE3 TRP 3 HE3 TRP 3 142.141 -5.973 15.090 19 HZ2 TRP 3 HZ2 TRP 3 142.448 -9.652 18.442 20 HZ3 TRP 3 HZ3 TRP 3 141.076 -5.777 17.300 21 HH2 TRP 3 HH2 TRP 3 141.227 -7.579 18.940 22 H GLU 4 HN GLU 4 146.540 -6.580 10.593 23 HA GLU 4 HA GLU 4 146.867 -7.031 8.381 24 1HB GLU 4 HB2 GLU 4 145.768 -9.795 8.865 25 2HB GLU 4 HB1 GLU 4 146.897 -9.280 7.619 26 1HG GLU 4 HG2 GLU 4 148.636 -9.681 8.925 27 2HG GLU 4 HG1 GLU 4 147.954 -8.719 10.235 28 H ILE 5 HN ILE 5 145.441 -8.464 6.536 29 HA ILE 5 HA ILE 5 143.414 -6.856 5.742 30 HB ILE 5 HB ILE 5 144.314 -8.656 4.353 31 1HG1 ILE 5 HG12 ILE 5 142.247 -9.291 3.231 32 2HG1 ILE 5 HG11 ILE 5 141.316 -8.916 4.678 33 1HG2 ILE 5 HG21 ILE 5 144.277 -10.349 6.231 34 2HG2 ILE 5 HG22 ILE 5 143.781 -10.936 4.643 35 3HG2 ILE 5 HG23 ILE 5 142.565 -10.575 5.869 36 1HD1 ILE 5 HD11 ILE 5 141.520 -7.238 2.646 37 2HD1 ILE 5 HD12 ILE 5 142.970 -6.750 3.524 38 3HD1 ILE 5 HD13 ILE 5 141.394 -6.681 4.314 39 H ILE 6 HN ILE 6 141.376 -6.416 6.297 40 HA ILE 6 HA ILE 6 140.042 -8.208 8.215 41 HB ILE 6 HB ILE 6 138.787 -5.917 8.758 42 1HG1 ILE 6 HG12 ILE 6 140.386 -4.748 7.110 43 2HG1 ILE 6 HG11 ILE 6 140.148 -4.002 8.683 44 1HG2 ILE 6 HG21 ILE 6 141.164 -7.252 9.912 45 2HG2 ILE 6 HG22 ILE 6 139.550 -7.018 10.586 46 3HG2 ILE 6 HG23 ILE 6 140.704 -5.682 10.571 47 1HD1 ILE 6 HD11 ILE 6 142.423 -3.842 8.377 48 2HD1 ILE 6 HD12 ILE 6 142.540 -5.423 7.606 49 3HD1 ILE 6 HD13 ILE 6 142.285 -5.306 9.347 50 H GLU 7 HN GLU 7 139.438 -5.683 5.780 51 HA GLU 7 HA GLU 7 136.978 -7.126 5.038 52 1HB GLU 7 HB2 GLU 7 137.437 -4.143 4.868 53 2HB GLU 7 HB1 GLU 7 135.960 -4.995 4.444 54 1HG GLU 7 HG2 GLU 7 135.990 -5.803 6.892 55 2HG GLU 7 HG1 GLU 7 137.128 -4.480 7.146 56 H ILE 8 HN ILE 8 136.288 -5.973 2.736 57 HA ILE 8 HA ILE 8 138.646 -5.950 0.998 58 HB ILE 8 HB ILE 8 136.225 -7.613 0.321 59 1HG1 ILE 8 HG12 ILE 8 137.382 -8.536 2.308 60 2HG1 ILE 8 HG11 ILE 8 137.523 -9.588 0.902 61 1HG2 ILE 8 HG21 ILE 8 137.232 -7.195 -1.684 62 2HG2 ILE 8 HG22 ILE 8 138.139 -8.624 -1.188 63 3HG2 ILE 8 HG23 ILE 8 138.835 -7.018 -0.969 64 1HD1 ILE 8 HD11 ILE 8 139.709 -7.661 1.236 65 2HD1 ILE 8 HD12 ILE 8 139.751 -9.374 0.815 66 3HD1 ILE 8 HD13 ILE 8 139.577 -8.883 2.501 67 H GLY 9 HN GLY 9 136.537 -4.001 1.969 68 1HA GLY 9 HA2 GLY 9 135.407 -3.250 -0.650 69 2HA GLY 9 HA1 GLY 9 134.744 -2.763 0.902 70 HA PRO 10 HA PRO 10 136.818 1.113 0.251 71 1HB PRO 10 HB2 PRO 10 136.883 1.955 2.860 72 2HB PRO 10 HB1 PRO 10 135.464 2.082 1.818 73 1HG PRO 10 HG2 PRO 10 136.118 0.023 3.886 74 2HG PRO 10 HG1 PRO 10 134.569 0.815 3.544 75 1HD PRO 10 HD2 PRO 10 135.101 -1.679 2.694 76 2HD PRO 10 HD1 PRO 10 134.128 -0.551 1.727 77 H PHE 11 HN PHE 11 137.915 -1.279 2.529 78 HA PHE 11 HA PHE 11 140.316 -0.187 3.361 79 1HB PHE 11 HB2 PHE 11 139.375 -2.156 4.403 80 2HB PHE 11 HB1 PHE 11 139.544 -3.071 2.910 81 HD1 PHE 11 HD1 PHE 11 141.944 -3.378 2.016 82 HD2 PHE 11 HD2 PHE 11 141.029 -2.243 6.012 83 HE1 PHE 11 HE1 PHE 11 144.159 -4.165 2.740 84 HE2 PHE 11 HE2 PHE 11 143.244 -3.024 6.746 85 HZ PHE 11 HZ PHE 11 144.811 -3.988 5.108 86 H THR 12 HN THR 12 139.856 -2.527 0.691 87 HA THR 12 HA THR 12 142.538 -2.281 -0.192 88 HB THR 12 HB THR 12 140.605 -3.186 -2.201 89 HG1 THR 12 HG1 THR 12 140.165 -5.110 -0.973 90 1HG2 THR 12 HG21 THR 12 142.102 -5.309 -1.767 91 2HG2 THR 12 HG22 THR 12 143.161 -4.110 -1.026 92 3HG2 THR 12 HG23 THR 12 142.686 -3.941 -2.712 93 H GLN 13 HN GLN 13 139.499 -1.131 -1.652 94 HA GLN 13 HA GLN 13 140.639 0.256 -3.763 95 1HB GLN 13 HB2 GLN 13 138.559 1.412 -3.993 96 2HB GLN 13 HB1 GLN 13 138.211 -0.232 -3.476 97 1HG GLN 13 HG2 GLN 13 137.777 0.491 -1.245 98 2HG GLN 13 HG1 GLN 13 138.325 2.124 -1.614 99 1HE2 GLN 13 HE21 GLN 13 136.227 -0.053 -3.447 100 2HE2 GLN 13 HE22 GLN 13 134.853 0.994 -3.457 101 H ASN 14 HN ASN 14 140.678 1.033 -0.412 102 HA ASN 14 HA ASN 14 140.902 3.816 -0.566 103 1HB ASN 14 HB2 ASN 14 141.358 1.753 1.456 104 2HB ASN 14 HB1 ASN 14 142.456 3.120 1.611 105 1HD2 ASN 14 HD21 ASN 14 141.613 4.025 3.410 106 2HD2 ASN 14 HD22 ASN 14 140.019 4.686 3.505 107 H LEU 15 HN LEU 15 143.456 1.343 -0.266 108 HA LEU 15 HA LEU 15 145.678 2.965 -0.520 109 1HB LEU 15 HB2 LEU 15 145.290 0.293 -0.421 110 2HB LEU 15 HB1 LEU 15 145.745 0.463 -2.099 111 HG LEU 15 HG LEU 15 147.741 -0.030 -0.975 112 1HD1 LEU 15 HD11 LEU 15 148.083 1.766 -2.520 113 2HD1 LEU 15 HD12 LEU 15 149.066 2.070 -1.087 114 3HD1 LEU 15 HD13 LEU 15 147.559 2.955 -1.326 115 1HD2 LEU 15 HD21 LEU 15 147.711 0.169 1.242 116 2HD2 LEU 15 HD22 LEU 15 146.491 1.441 1.195 117 3HD2 LEU 15 HD23 LEU 15 148.194 1.846 0.992 118 H GLY 16 HN GLY 16 143.565 1.637 -3.000 119 1HA GLY 16 HA2 GLY 16 144.908 2.372 -5.305 120 2HA GLY 16 HA1 GLY 16 143.158 2.339 -5.161 121 H LYS 17 HN LYS 17 142.768 4.388 -3.303 122 HA LYS 17 HA LYS 17 142.798 6.658 -4.960 123 1HB LYS 17 HB2 LYS 17 141.490 6.021 -2.694 124 2HB LYS 17 HB1 LYS 17 142.724 7.078 -2.022 125 1HG LYS 17 HG2 LYS 17 142.002 8.910 -3.332 126 2HG LYS 17 HG1 LYS 17 140.972 7.878 -4.326 127 1HD LYS 17 HD2 LYS 17 139.672 7.360 -2.226 128 2HD LYS 17 HD1 LYS 17 140.588 8.647 -1.440 129 1HE LYS 17 HE2 LYS 17 139.266 9.277 -4.020 130 2HE LYS 17 HE1 LYS 17 138.233 9.074 -2.605 131 1HZ LYS 17 HZ1 LYS 17 140.577 10.758 -2.249 132 2HZ LYS 17 HZ2 LYS 17 139.002 10.955 -1.665 133 3HZ LYS 17 HZ3 LYS 17 139.369 11.377 -3.261 134 H PHE 18 HN PHE 18 144.748 5.930 -2.068 135 HA PHE 18 HA PHE 18 146.458 8.174 -2.404 136 1HB PHE 18 HB2 PHE 18 146.517 5.714 -0.694 137 2HB PHE 18 HB1 PHE 18 147.940 6.744 -0.787 138 HD1 PHE 18 HD1 PHE 18 148.062 7.720 1.314 139 HD2 PHE 18 HD2 PHE 18 144.359 7.727 -0.779 140 HE1 PHE 18 HE1 PHE 18 147.102 9.203 3.026 141 HE2 PHE 18 HE2 PHE 18 143.391 9.212 0.929 142 HZ PHE 18 HZ PHE 18 144.765 9.951 2.835 143 H ALA 19 HN ALA 19 146.244 5.240 -4.022 144 HA ALA 19 HA ALA 19 148.966 4.700 -4.551 145 1HB ALA 19 HB1 ALA 19 147.357 3.857 -6.746 146 2HB ALA 19 HB2 ALA 19 146.463 3.578 -5.253 147 3HB ALA 19 HB3 ALA 19 148.069 2.883 -5.460 148 H VAL 20 HN VAL 20 146.674 5.664 -7.088 149 HA VAL 20 HA VAL 20 148.499 6.735 -8.842 150 HB VAL 20 HB VAL 20 146.174 6.374 -9.466 151 1HG1 VAL 20 HG11 VAL 20 145.534 8.762 -7.737 152 2HG1 VAL 20 HG12 VAL 20 145.152 7.085 -7.349 153 3HG1 VAL 20 HG13 VAL 20 144.397 7.861 -8.740 154 1HG2 VAL 20 HG21 VAL 20 145.941 8.169 -10.936 155 2HG2 VAL 20 HG22 VAL 20 147.670 8.145 -10.587 156 3HG2 VAL 20 HG23 VAL 20 146.627 9.321 -9.789 157 H ASP 21 HN ASP 21 146.869 8.364 -6.150 158 HA ASP 21 HA ASP 21 147.818 10.960 -6.691 159 1HB ASP 21 HB2 ASP 21 146.631 9.567 -4.351 160 2HB ASP 21 HB1 ASP 21 147.531 11.042 -4.016 161 H GLU 22 HN GLU 22 149.318 8.183 -5.252 162 HA GLU 22 HA GLU 22 151.609 9.813 -4.415 163 1HB GLU 22 HB2 GLU 22 150.548 8.227 -2.768 164 2HB GLU 22 HB1 GLU 22 151.119 6.905 -3.778 165 1HG GLU 22 HG2 GLU 22 152.678 7.169 -2.021 166 2HG GLU 22 HG1 GLU 22 153.436 7.790 -3.482 167 H GLU 23 HN GLU 23 150.581 7.873 -6.963 168 HA GLU 23 HA GLU 23 152.744 6.353 -7.715 169 1HB GLU 23 HB2 GLU 23 150.472 6.684 -8.886 170 2HB GLU 23 HB1 GLU 23 151.238 8.036 -9.707 171 1HG GLU 23 HG2 GLU 23 152.269 5.212 -9.770 172 2HG GLU 23 HG1 GLU 23 151.228 5.923 -11.002 173 H ASN 24 HN ASN 24 152.352 9.800 -7.776 174 HA ASN 24 HA ASN 24 154.482 10.481 -9.484 175 1HB ASN 24 HB2 ASN 24 152.851 11.885 -7.428 176 2HB ASN 24 HB1 ASN 24 154.372 12.637 -7.900 177 1HD2 ASN 24 HD21 ASN 24 151.808 10.880 -9.611 178 2HD2 ASN 24 HD22 ASN 24 151.559 12.082 -10.827 179 H LYS 25 HN LYS 25 154.381 9.532 -6.130 180 HA LYS 25 HA LYS 25 156.947 10.522 -5.411 181 1HB LYS 25 HB2 LYS 25 154.821 9.054 -4.144 182 2HB LYS 25 HB1 LYS 25 156.361 8.290 -3.785 183 1HG LYS 25 HG2 LYS 25 156.594 11.134 -3.510 184 2HG LYS 25 HG1 LYS 25 155.234 10.537 -2.558 185 1HD LYS 25 HD2 LYS 25 156.748 8.832 -1.568 186 2HD LYS 25 HD1 LYS 25 158.093 9.578 -2.436 187 1HE LYS 25 HE2 LYS 25 157.948 11.554 -1.182 188 2HE LYS 25 HE1 LYS 25 156.331 11.165 -0.597 189 1HZ LYS 25 HZ1 LYS 25 157.441 10.517 1.224 190 2HZ LYS 25 HZ2 LYS 25 158.913 10.326 0.410 191 3HZ LYS 25 HZ3 LYS 25 157.746 9.103 0.348 192 H ILE 26 HN ILE 26 156.213 7.050 -5.241 193 HA ILE 26 HA ILE 26 158.766 6.148 -5.669 194 HB ILE 26 HB ILE 26 156.888 4.713 -4.968 195 1HG1 ILE 26 HG12 ILE 26 157.603 2.695 -6.128 196 2HG1 ILE 26 HG11 ILE 26 158.297 3.661 -7.427 197 1HG2 ILE 26 HG21 ILE 26 156.068 4.931 -7.852 198 2HG2 ILE 26 HG22 ILE 26 155.143 5.406 -6.428 199 3HG2 ILE 26 HG23 ILE 26 155.458 3.701 -6.746 200 1HD1 ILE 26 HD11 ILE 26 160.133 4.211 -6.218 201 2HD1 ILE 26 HD12 ILE 26 159.756 2.663 -5.461 202 3HD1 ILE 26 HD13 ILE 26 159.273 4.168 -4.679 203 H GLY 27 HN GLY 27 156.354 7.020 -8.090 204 1HA GLY 27 HA2 GLY 27 158.255 6.359 -10.233 205 2HA GLY 27 HA1 GLY 27 156.538 6.672 -10.444 206 H GLN 28 HN GLN 28 157.603 8.015 -12.217 207 HA GLN 28 HA GLN 28 158.438 10.637 -11.187 208 1HB GLN 28 HB2 GLN 28 159.051 9.094 -13.637 209 2HB GLN 28 HB1 GLN 28 158.870 10.830 -13.846 210 1HG GLN 28 HG2 GLN 28 160.484 10.566 -11.605 211 2HG GLN 28 HG1 GLN 28 161.053 9.320 -12.715 212 1HE2 GLN 28 HE21 GLN 28 161.438 12.448 -11.812 213 2HE2 GLN 28 HE22 GLN 28 162.143 13.086 -13.256 214 H TYR 29 HN TYR 29 156.382 9.200 -13.716 215 HA TYR 29 HA TYR 29 154.716 11.629 -13.622 216 1HB TYR 29 HB2 TYR 29 155.884 10.318 -15.815 217 2HB TYR 29 HB1 TYR 29 154.169 9.930 -15.899 218 HD1 TYR 29 HD1 TYR 29 152.901 11.336 -17.201 219 HD2 TYR 29 HD2 TYR 29 156.280 12.937 -15.171 220 HE1 TYR 29 HE1 TYR 29 152.451 13.538 -18.199 221 HE2 TYR 29 HE2 TYR 29 155.837 15.142 -16.161 222 HH TYR 29 HH TYR 29 152.997 16.011 -17.525 223 H GLY 30 HN GLY 30 152.675 11.457 -12.921 224 1HA GLY 30 HA2 GLY 30 151.642 8.746 -12.409 225 2HA GLY 30 HA1 GLY 30 151.154 10.198 -11.547 226 H ARG 31 HN ARG 31 149.383 8.316 -12.711 227 HA ARG 31 HA ARG 31 147.613 10.033 -14.051 228 1HB ARG 31 HB2 ARG 31 147.647 9.213 -16.299 229 2HB ARG 31 HB1 ARG 31 149.289 9.683 -15.885 230 1HG ARG 31 HG2 ARG 31 149.891 7.363 -15.524 231 2HG ARG 31 HG1 ARG 31 148.232 6.864 -15.857 232 1HD ARG 31 HD2 ARG 31 149.722 6.550 -17.794 233 2HD ARG 31 HD1 ARG 31 148.405 7.674 -18.127 234 HE ARG 31 HE ARG 31 150.712 9.066 -17.251 235 1HH1 ARG 31 HH11 ARG 31 149.399 7.399 -20.023 236 2HH1 ARG 31 HH12 ARG 31 150.327 8.307 -21.166 237 1HH2 ARG 31 HH21 ARG 31 151.933 10.264 -18.752 238 2HH2 ARG 31 HH22 ARG 31 151.767 9.938 -20.445 239 H LEU 32 HN LEU 32 146.294 7.977 -15.650 240 HA LEU 32 HA LEU 32 144.799 6.731 -13.580 241 1HB LEU 32 HB2 LEU 32 144.045 7.432 -15.946 242 2HB LEU 32 HB1 LEU 32 144.727 5.902 -16.466 243 HG LEU 32 HG LEU 32 142.831 5.757 -14.203 244 1HD1 LEU 32 HD11 LEU 32 141.699 6.077 -16.953 245 2HD1 LEU 32 HD12 LEU 32 141.940 7.478 -15.909 246 3HD1 LEU 32 HD13 LEU 32 140.884 6.163 -15.390 247 1HD2 LEU 32 HD21 LEU 32 144.061 3.940 -15.761 248 2HD2 LEU 32 HD22 LEU 32 142.543 4.126 -16.640 249 3HD2 LEU 32 HD23 LEU 32 142.528 3.648 -14.942 250 H THR 33 HN THR 33 145.902 5.291 -12.361 251 HA THR 33 HA THR 33 147.209 3.050 -13.756 252 HB THR 33 HB THR 33 148.093 3.102 -11.092 253 HG1 THR 33 HG1 THR 33 147.670 5.139 -10.637 254 1HG2 THR 33 HG21 THR 33 149.892 4.466 -12.893 255 2HG2 THR 33 HG22 THR 33 149.249 2.974 -13.578 256 3HG2 THR 33 HG23 THR 33 150.089 2.942 -12.028 257 H PHE 34 HN PHE 34 146.296 3.385 -10.355 258 HA PHE 34 HA PHE 34 145.330 0.764 -10.165 259 1HB PHE 34 HB2 PHE 34 145.100 3.190 -8.415 260 2HB PHE 34 HB1 PHE 34 144.241 1.709 -8.002 261 HD1 PHE 34 HD1 PHE 34 147.644 2.288 -9.412 262 HD2 PHE 34 HD2 PHE 34 145.314 0.737 -6.209 263 HE1 PHE 34 HE1 PHE 34 149.684 1.402 -8.362 264 HE2 PHE 34 HE2 PHE 34 147.349 -0.148 -5.152 265 HZ PHE 34 HZ PHE 34 149.537 0.184 -6.228 266 H ASN 35 HN ASN 35 143.841 0.424 -11.830 267 HA ASN 35 HA ASN 35 141.418 1.999 -11.945 268 1HB ASN 35 HB2 ASN 35 142.810 0.452 -13.777 269 2HB ASN 35 HB1 ASN 35 141.386 -0.521 -13.424 270 1HD2 ASN 35 HD21 ASN 35 140.669 -0.177 -15.555 271 2HD2 ASN 35 HD22 ASN 35 139.938 1.317 -16.022 272 H LYS 36 HN LYS 36 142.139 -1.455 -11.392 273 HA LYS 36 HA LYS 36 139.677 -1.596 -9.771 274 1HB LYS 36 HB2 LYS 36 140.627 -3.251 -11.919 275 2HB LYS 36 HB1 LYS 36 140.520 -4.212 -10.451 276 1HG LYS 36 HG2 LYS 36 138.161 -3.026 -10.286 277 2HG LYS 36 HG1 LYS 36 138.380 -2.916 -12.035 278 1HD LYS 36 HD2 LYS 36 139.110 -5.494 -11.559 279 2HD LYS 36 HD1 LYS 36 137.860 -5.254 -10.338 280 1HE LYS 36 HE2 LYS 36 136.535 -5.900 -12.067 281 2HE LYS 36 HE1 LYS 36 136.592 -4.171 -12.403 282 1HZ LYS 36 HZ1 LYS 36 138.316 -6.238 -13.660 283 2HZ LYS 36 HZ2 LYS 36 138.386 -4.579 -13.977 284 3HZ LYS 36 HZ3 LYS 36 137.007 -5.460 -14.396 285 H VAL 37 HN VAL 37 141.479 -0.615 -8.300 286 HA VAL 37 HA VAL 37 143.498 -2.192 -7.214 287 HB VAL 37 HB VAL 37 143.553 0.123 -6.763 288 1HG1 VAL 37 HG11 VAL 37 140.747 -0.272 -5.857 289 2HG1 VAL 37 HG12 VAL 37 141.433 0.964 -6.909 290 3HG1 VAL 37 HG13 VAL 37 141.692 1.047 -5.168 291 1HG2 VAL 37 HG21 VAL 37 143.868 0.229 -4.399 292 2HG2 VAL 37 HG22 VAL 37 144.326 -1.391 -4.925 293 3HG2 VAL 37 HG23 VAL 37 142.771 -1.127 -4.135 294 H ILE 38 HN ILE 38 143.213 -4.174 -6.387 295 HA ILE 38 HA ILE 38 141.593 -4.494 -4.055 296 HB ILE 38 HB ILE 38 140.352 -6.501 -5.030 297 1HG1 ILE 38 HG12 ILE 38 140.399 -5.189 -7.674 298 2HG1 ILE 38 HG11 ILE 38 141.880 -6.036 -7.237 299 1HG2 ILE 38 HG21 ILE 38 139.483 -4.131 -4.497 300 2HG2 ILE 38 HG22 ILE 38 138.492 -5.206 -5.482 301 3HG2 ILE 38 HG23 ILE 38 139.439 -3.930 -6.249 302 1HD1 ILE 38 HD11 ILE 38 140.956 -8.017 -7.613 303 2HD1 ILE 38 HD12 ILE 38 139.627 -7.140 -8.373 304 3HD1 ILE 38 HD13 ILE 38 139.518 -7.613 -6.678 305 H LYS 39 HN LYS 39 141.756 -7.510 -5.459 306 HA LYS 39 HA LYS 39 142.992 -9.354 -5.097 307 1HB LYS 39 HB2 LYS 39 144.898 -7.271 -5.868 308 2HB LYS 39 HB1 LYS 39 145.622 -8.622 -5.005 309 1HG LYS 39 HG2 LYS 39 145.730 -9.011 -7.376 310 2HG LYS 39 HG1 LYS 39 144.625 -10.169 -6.634 311 1HD LYS 39 HD2 LYS 39 142.779 -9.246 -7.617 312 2HD LYS 39 HD1 LYS 39 143.486 -7.630 -7.675 313 1HE LYS 39 HE2 LYS 39 143.190 -8.756 -9.902 314 2HE LYS 39 HE1 LYS 39 144.822 -8.188 -9.553 315 1HZ LYS 39 HZ1 LYS 39 144.883 -10.387 -10.506 316 2HZ LYS 39 HZ2 LYS 39 143.853 -10.984 -9.306 317 3HZ LYS 39 HZ3 LYS 39 145.408 -10.458 -8.898 318 HA PRO 40 HA PRO 40 143.875 -10.296 -0.926 319 1HB PRO 40 HB2 PRO 40 146.621 -11.135 -1.755 320 2HB PRO 40 HB1 PRO 40 145.423 -12.001 -0.785 321 1HG PRO 40 HG2 PRO 40 145.826 -12.654 -3.331 322 2HG PRO 40 HG1 PRO 40 144.193 -12.650 -2.640 323 1HD PRO 40 HD2 PRO 40 145.471 -10.702 -4.494 324 2HD PRO 40 HD1 PRO 40 143.775 -11.208 -4.379 325 H CYS 41 HN CYS 41 143.902 -8.086 -0.295 326 HA CYS 41 HA CYS 41 146.488 -6.755 -0.098 327 1HB CYS 41 HB2 CYS 41 145.177 -4.836 0.705 328 2HB CYS 41 HB1 CYS 41 144.554 -5.446 -0.821 329 HG CYS 41 HG CYS 41 142.766 -4.930 1.253 330 H MET 42 HN MET 42 147.023 -5.667 2.016 331 HA MET 42 HA MET 42 145.997 -6.892 4.421 332 1HB MET 42 HB2 MET 42 148.525 -7.768 3.189 333 2HB MET 42 HB1 MET 42 148.646 -7.359 4.895 334 1HG MET 42 HG2 MET 42 147.052 -8.989 5.497 335 2HG MET 42 HG1 MET 42 146.565 -9.237 3.822 336 1HE MET 42 HE1 MET 42 147.901 -12.432 3.411 337 2HE MET 42 HE2 MET 42 146.534 -11.454 3.942 338 3HE MET 42 HE3 MET 42 147.519 -12.307 5.130 339 H LYS 43 HN LYS 43 146.778 -5.883 6.359 340 HA LYS 43 HA LYS 43 148.459 -3.521 6.078 341 1HB LYS 43 HB2 LYS 43 146.196 -2.698 5.592 342 2HB LYS 43 HB1 LYS 43 145.624 -3.353 7.119 343 1HG LYS 43 HG2 LYS 43 147.905 -1.472 7.226 344 2HG LYS 43 HG1 LYS 43 146.322 -0.810 6.818 345 1HD LYS 43 HD2 LYS 43 145.434 -1.993 8.863 346 2HD LYS 43 HD1 LYS 43 147.112 -2.321 9.299 347 1HE LYS 43 HE2 LYS 43 147.553 -0.142 9.802 348 2HE LYS 43 HE1 LYS 43 146.391 0.478 8.631 349 1HZ LYS 43 HZ1 LYS 43 144.645 0.208 10.090 350 2HZ LYS 43 HZ2 LYS 43 145.888 0.684 11.134 351 3HZ LYS 43 HZ3 LYS 43 145.450 -0.946 11.029 352 H LYS 44 HN LYS 44 149.755 -3.329 7.792 353 HA LYS 44 HA LYS 44 148.948 -4.623 10.314 354 1HB LYS 44 HB2 LYS 44 151.274 -5.072 8.673 355 2HB LYS 44 HB1 LYS 44 151.763 -4.482 10.256 356 1HG LYS 44 HG2 LYS 44 150.289 -6.273 11.244 357 2HG LYS 44 HG1 LYS 44 150.149 -6.933 9.614 358 1HD LYS 44 HD2 LYS 44 151.967 -8.123 10.209 359 2HD LYS 44 HD1 LYS 44 152.832 -6.637 9.806 360 1HE LYS 44 HE2 LYS 44 153.666 -6.837 11.884 361 2HE LYS 44 HE1 LYS 44 152.123 -6.138 12.374 362 1HZ LYS 44 HZ1 LYS 44 153.108 -8.854 12.676 363 2HZ LYS 44 HZ2 LYS 44 151.477 -8.711 12.257 364 3HZ LYS 44 HZ3 LYS 44 152.057 -7.966 13.661 365 H THR 45 HN THR 45 150.747 -3.767 12.063 366 HA THR 45 HA THR 45 151.446 -1.058 11.822 367 HB THR 45 HB THR 45 148.913 -0.999 12.161 368 HG1 THR 45 HG1 THR 45 149.119 0.876 13.235 369 1HG2 THR 45 HG21 THR 45 148.215 -0.986 14.541 370 2HG2 THR 45 HG22 THR 45 149.747 -1.754 14.947 371 3HG2 THR 45 HG23 THR 45 148.594 -2.585 13.906 372 H ILE 46 HN ILE 46 152.775 -0.324 13.428 373 HA ILE 46 HA ILE 46 153.454 -2.256 15.549 374 HB ILE 46 HB ILE 46 155.381 -0.521 14.005 375 1HG1 ILE 46 HG12 ILE 46 156.216 -2.955 13.407 376 2HG1 ILE 46 HG11 ILE 46 154.536 -3.370 13.732 377 1HG2 ILE 46 HG21 ILE 46 157.117 -1.773 15.199 378 2HG2 ILE 46 HG22 ILE 46 155.869 -2.602 16.128 379 3HG2 ILE 46 HG23 ILE 46 156.085 -0.859 16.298 380 1HD1 ILE 46 HD11 ILE 46 155.317 -2.757 11.325 381 2HD1 ILE 46 HD12 ILE 46 155.136 -1.101 11.907 382 3HD1 ILE 46 HD13 ILE 46 153.757 -2.202 11.930 383 H TYR 47 HN TYR 47 152.348 -1.144 17.176 384 HA TYR 47 HA TYR 47 153.176 1.630 17.657 385 1HB TYR 47 HB2 TYR 47 151.247 1.835 19.101 386 2HB TYR 47 HB1 TYR 47 150.731 1.131 17.573 387 HD1 TYR 47 HD1 TYR 47 150.830 0.737 21.132 388 HD2 TYR 47 HD2 TYR 47 150.387 -1.392 17.475 389 HE1 TYR 47 HE1 TYR 47 149.813 -1.138 22.355 390 HE2 TYR 47 HE2 TYR 47 149.366 -3.272 18.687 391 HH TYR 47 HH TYR 47 149.545 -4.128 21.245 392 H GLU 48 HN GLU 48 153.978 2.289 19.670 393 HA GLU 48 HA GLU 48 155.561 0.313 21.003 394 1HB GLU 48 HB2 GLU 48 156.530 2.476 20.647 395 2HB GLU 48 HB1 GLU 48 155.198 3.262 21.480 396 1HG GLU 48 HG2 GLU 48 156.301 3.129 23.389 397 2HG GLU 48 HG1 GLU 48 156.341 1.373 23.257 398 H ASN 49 HN ASN 49 153.880 2.779 22.771 399 HA ASN 49 HA ASN 49 152.066 0.953 24.059 400 1HB ASN 49 HB2 ASN 49 154.359 2.165 25.621 401 2HB ASN 49 HB1 ASN 49 152.967 1.365 26.344 402 1HD2 ASN 49 HD21 ASN 49 152.556 -0.873 25.268 403 2HD2 ASN 49 HD22 ASN 49 153.951 -1.884 25.154 404 H GLU 50 HN GLU 50 153.708 4.062 24.602 405 HA GLU 50 HA GLU 50 151.095 5.288 25.147 406 1HB GLU 50 HB2 GLU 50 152.378 7.137 26.152 407 2HB GLU 50 HB1 GLU 50 152.748 5.596 26.914 408 1HG GLU 50 HG2 GLU 50 154.893 5.672 26.306 409 2HG GLU 50 HG1 GLU 50 154.515 6.263 24.689 410 H ARG 51 HN ARG 51 151.901 4.620 22.501 411 HA ARG 51 HA ARG 51 151.842 5.503 20.409 412 1HB ARG 51 HB2 ARG 51 150.878 7.759 22.077 413 2HB ARG 51 HB1 ARG 51 151.442 8.167 20.464 414 1HG ARG 51 HG2 ARG 51 149.475 7.563 19.659 415 2HG ARG 51 HG1 ARG 51 149.791 5.908 20.182 416 1HD ARG 51 HD2 ARG 51 149.024 7.022 22.519 417 2HD ARG 51 HD1 ARG 51 148.084 7.990 21.386 418 HE ARG 51 HE ARG 51 146.753 6.175 21.013 419 1HH1 ARG 51 HH11 ARG 51 149.742 5.079 22.444 420 2HH1 ARG 51 HH12 ARG 51 149.203 3.442 22.619 421 1HH2 ARG 51 HH21 ARG 51 146.045 4.023 21.240 422 2HH2 ARG 51 HH22 ARG 51 147.105 2.843 21.934 423 H GLU 52 HN GLU 52 154.275 4.993 21.264 424 HA GLU 52 HA GLU 52 155.936 7.361 20.952 425 1HB GLU 52 HB2 GLU 52 156.220 4.824 22.276 426 2HB GLU 52 HB1 GLU 52 157.571 5.078 21.180 427 1HG GLU 52 HG2 GLU 52 156.676 7.015 23.302 428 2HG GLU 52 HG1 GLU 52 158.017 5.882 23.456 429 H ILE 53 HN ILE 53 154.704 4.847 19.051 430 HA ILE 53 HA ILE 53 156.361 5.709 16.842 431 HB ILE 53 HB ILE 53 157.684 3.893 17.428 432 1HG1 ILE 53 HG12 ILE 53 155.728 2.862 15.363 433 2HG1 ILE 53 HG11 ILE 53 157.133 3.872 15.047 434 1HG2 ILE 53 HG21 ILE 53 155.811 1.708 17.523 435 2HG2 ILE 53 HG22 ILE 53 155.439 2.938 18.730 436 3HG2 ILE 53 HG23 ILE 53 157.038 2.201 18.690 437 1HD1 ILE 53 HD11 ILE 53 157.074 1.014 15.958 438 2HD1 ILE 53 HD12 ILE 53 158.532 2.005 15.995 439 3HD1 ILE 53 HD13 ILE 53 157.731 1.673 14.459 440 H LYS 54 HN LYS 54 154.317 2.895 17.046 441 HA LYS 54 HA LYS 54 152.351 2.325 16.049 442 1HB LYS 54 HB2 LYS 54 151.866 4.811 16.977 443 2HB LYS 54 HB1 LYS 54 151.668 5.096 15.254 444 1HG LYS 54 HG2 LYS 54 149.841 3.692 15.096 445 2HG LYS 54 HG1 LYS 54 150.269 2.804 16.561 446 1HD LYS 54 HD2 LYS 54 149.180 4.246 17.892 447 2HD LYS 54 HD1 LYS 54 149.770 5.653 17.003 448 1HE LYS 54 HE2 LYS 54 148.096 4.956 15.187 449 2HE LYS 54 HE1 LYS 54 147.379 3.934 16.431 450 1HZ LYS 54 HZ1 LYS 54 146.674 6.464 16.018 451 2HZ LYS 54 HZ2 LYS 54 147.869 6.692 17.192 452 3HZ LYS 54 HZ3 LYS 54 146.541 5.697 17.521 453 H GLY 55 HN GLY 55 154.236 1.680 14.482 454 1HA GLY 55 HA2 GLY 55 154.179 3.150 11.968 455 2HA GLY 55 HA1 GLY 55 155.152 1.731 12.321 456 H TYR 56 HN TYR 56 152.260 2.923 10.931 457 HA TYR 56 HA TYR 56 151.234 0.196 10.594 458 1HB TYR 56 HB2 TYR 56 149.113 1.250 9.907 459 2HB TYR 56 HB1 TYR 56 149.612 1.720 11.527 460 HD1 TYR 56 HD1 TYR 56 148.717 2.868 8.248 461 HD2 TYR 56 HD2 TYR 56 150.695 3.993 11.842 462 HE1 TYR 56 HE1 TYR 56 148.496 5.236 7.622 463 HE2 TYR 56 HE2 TYR 56 150.483 6.363 11.226 464 HH TYR 56 HH TYR 56 150.064 7.509 8.439 465 H GLU 57 HN GLU 57 151.656 -0.835 8.820 466 HA GLU 57 HA GLU 57 152.334 0.672 6.401 467 1HB GLU 57 HB2 GLU 57 152.720 -2.284 6.856 468 2HB GLU 57 HB1 GLU 57 153.478 -1.274 5.632 469 1HG GLU 57 HG2 GLU 57 154.443 -0.010 7.709 470 2HG GLU 57 HG1 GLU 57 154.094 -1.530 8.531 471 H TYR 58 HN TYR 58 151.078 0.631 4.644 472 HA TYR 58 HA TYR 58 148.757 -1.190 4.659 473 1HB TYR 58 HB2 TYR 58 148.767 1.587 4.679 474 2HB TYR 58 HB1 TYR 58 148.491 1.194 2.987 475 HD1 TYR 58 HD1 TYR 58 146.914 1.839 6.014 476 HD2 TYR 58 HD2 TYR 58 146.666 -0.750 2.650 477 HE1 TYR 58 HE1 TYR 58 144.537 1.439 6.505 478 HE2 TYR 58 HE2 TYR 58 144.291 -1.160 3.131 479 HH TYR 58 HH TYR 58 142.416 0.087 4.336 480 H GLN 59 HN GLN 59 149.806 -2.804 3.455 481 HA GLN 59 HA GLN 59 150.609 -2.067 0.723 482 1HB GLN 59 HB2 GLN 59 151.845 -4.168 0.664 483 2HB GLN 59 HB1 GLN 59 152.327 -3.218 2.062 484 1HG GLN 59 HG2 GLN 59 150.242 -4.822 2.970 485 2HG GLN 59 HG1 GLN 59 151.213 -5.868 1.933 486 1HE2 GLN 59 HE21 GLN 59 151.342 -3.691 4.692 487 2HE2 GLN 59 HE22 GLN 59 152.729 -4.410 5.429 488 H LEU 60 HN LEU 60 149.065 -2.376 -0.752 489 HA LEU 60 HA LEU 60 147.398 -4.751 -0.519 490 1HB LEU 60 HB2 LEU 60 146.266 -2.301 -1.772 491 2HB LEU 60 HB1 LEU 60 145.431 -3.642 -1.018 492 HG LEU 60 HG LEU 60 146.746 -1.282 0.303 493 1HD1 LEU 60 HD11 LEU 60 144.635 -0.762 1.075 494 2HD1 LEU 60 HD12 LEU 60 144.054 -2.418 0.912 495 3HD1 LEU 60 HD13 LEU 60 144.283 -1.419 -0.523 496 1HD2 LEU 60 HD21 LEU 60 145.639 -2.941 2.279 497 2HD2 LEU 60 HD22 LEU 60 147.332 -2.509 2.053 498 3HD2 LEU 60 HD23 LEU 60 146.686 -3.963 1.298 499 H TYR 61 HN TYR 61 146.151 -5.082 -2.746 500 HA TYR 61 HA TYR 61 148.199 -4.792 -4.845 501 1HB TYR 61 HB2 TYR 61 146.268 -6.976 -4.184 502 2HB TYR 61 HB1 TYR 61 146.762 -6.754 -5.859 503 HD1 TYR 61 HD1 TYR 61 148.070 -7.361 -2.439 504 HD2 TYR 61 HD2 TYR 61 148.818 -7.592 -6.620 505 HE1 TYR 61 HE1 TYR 61 150.111 -8.658 -1.995 506 HE2 TYR 61 HE2 TYR 61 150.862 -8.891 -6.189 507 HH TYR 61 HH TYR 61 151.836 -10.275 -4.478 508 H VAL 62 HN VAL 62 147.280 -4.628 -7.091 509 HA VAL 62 HA VAL 62 144.601 -3.496 -7.156 510 HB VAL 62 HB VAL 62 145.869 -1.530 -6.736 511 1HG1 VAL 62 HG11 VAL 62 147.644 -1.036 -8.700 512 2HG1 VAL 62 HG12 VAL 62 147.793 -2.788 -8.574 513 3HG1 VAL 62 HG13 VAL 62 148.069 -1.777 -7.157 514 1HG2 VAL 62 HG21 VAL 62 144.800 -0.322 -8.279 515 2HG2 VAL 62 HG22 VAL 62 144.312 -1.857 -8.997 516 3HG2 VAL 62 HG23 VAL 62 145.746 -1.022 -9.593 517 H TYR 63 HN TYR 63 143.553 -4.454 -8.731 518 HA TYR 63 HA TYR 63 144.974 -5.610 -10.981 519 1HB TYR 63 HB2 TYR 63 142.847 -6.538 -9.743 520 2HB TYR 63 HB1 TYR 63 141.984 -5.454 -10.827 521 HD1 TYR 63 HD1 TYR 63 145.005 -7.546 -11.446 522 HD2 TYR 63 HD2 TYR 63 140.915 -6.831 -12.369 523 HE1 TYR 63 HE1 TYR 63 145.117 -9.242 -13.221 524 HE2 TYR 63 HE2 TYR 63 141.013 -8.528 -14.147 525 HH TYR 63 HH TYR 63 143.981 -9.880 -15.232 526 H ALA 64 HN ALA 64 145.741 -3.318 -11.423 527 HA ALA 64 HA ALA 64 143.919 -1.441 -12.544 528 1HB ALA 64 HB1 ALA 64 146.223 -0.506 -13.437 529 2HB ALA 64 HB2 ALA 64 146.863 -1.641 -12.251 530 3HB ALA 64 HB3 ALA 64 145.756 -0.368 -11.744 531 H SER 65 HN SER 65 144.906 -0.487 -14.825 532 HA SER 65 HA SER 65 143.904 -2.268 -16.773 533 1HB SER 65 HB2 SER 65 144.798 -0.565 -18.407 534 2HB SER 65 HB1 SER 65 143.728 0.091 -17.167 535 HG SER 65 HG SER 65 145.386 1.084 -16.232 536 H ASP 66 HN ASP 66 147.218 -1.202 -16.052 537 HA ASP 66 HA ASP 66 148.533 -2.585 -18.037 538 1HB ASP 66 HB2 ASP 66 149.443 -0.876 -16.326 539 2HB ASP 66 HB1 ASP 66 149.725 -2.284 -15.306 540 H LYS 67 HN LYS 67 147.705 -3.629 -14.816 541 HA LYS 67 HA LYS 67 147.087 -6.237 -15.306 542 1HB LYS 67 HB2 LYS 67 149.275 -7.369 -14.506 543 2HB LYS 67 HB1 LYS 67 149.160 -6.856 -16.181 544 1HG LYS 67 HG2 LYS 67 150.769 -5.302 -15.959 545 2HG LYS 67 HG1 LYS 67 150.272 -4.866 -14.323 546 1HD LYS 67 HD2 LYS 67 151.589 -6.459 -13.349 547 2HD LYS 67 HD1 LYS 67 151.480 -7.549 -14.734 548 1HE LYS 67 HE2 LYS 67 152.891 -5.819 -15.977 549 2HE LYS 67 HE1 LYS 67 153.214 -5.120 -14.392 550 1HZ LYS 67 HZ1 LYS 67 153.630 -7.990 -14.668 551 2HZ LYS 67 HZ2 LYS 67 154.517 -6.848 -13.793 552 3HZ LYS 67 HZ3 LYS 67 154.736 -6.987 -15.464 553 H LEU 68 HN LEU 68 148.014 -7.692 -13.224 554 HA LEU 68 HA LEU 68 146.678 -6.537 -11.008 555 1HB LEU 68 HB2 LEU 68 147.536 -8.546 -9.780 556 2HB LEU 68 HB1 LEU 68 146.609 -8.897 -11.228 557 HG LEU 68 HG LEU 68 149.522 -8.727 -11.636 558 1HD1 LEU 68 HD11 LEU 68 148.489 -11.203 -10.315 559 2HD1 LEU 68 HD12 LEU 68 149.108 -9.864 -9.349 560 3HD1 LEU 68 HD13 LEU 68 150.152 -10.658 -10.527 561 1HD2 LEU 68 HD21 LEU 68 147.960 -11.107 -12.385 562 2HD2 LEU 68 HD22 LEU 68 149.085 -10.138 -13.337 563 3HD2 LEU 68 HD23 LEU 68 147.426 -9.585 -13.100 564 H PHE 69 HN PHE 69 148.040 -4.533 -11.052 565 HA PHE 69 HA PHE 69 150.726 -4.559 -10.191 566 1HB PHE 69 HB2 PHE 69 148.610 -2.555 -10.602 567 2HB PHE 69 HB1 PHE 69 149.788 -2.117 -9.372 568 HD1 PHE 69 HD1 PHE 69 151.443 -0.740 -10.137 569 HD2 PHE 69 HD2 PHE 69 149.904 -3.741 -12.731 570 HE1 PHE 69 HE1 PHE 69 153.007 -0.017 -11.893 571 HE2 PHE 69 HE2 PHE 69 151.463 -3.024 -14.493 572 HZ PHE 69 HZ PHE 69 153.017 -1.161 -14.075 573 H ARG 70 HN ARG 70 150.868 -2.824 -8.051 574 HA ARG 70 HA ARG 70 149.312 -3.486 -5.835 575 1HB ARG 70 HB2 ARG 70 150.308 -5.703 -6.048 576 2HB ARG 70 HB1 ARG 70 151.917 -5.000 -6.066 577 1HG ARG 70 HG2 ARG 70 151.013 -4.033 -3.724 578 2HG ARG 70 HG1 ARG 70 150.115 -5.550 -3.808 579 1HD ARG 70 HD2 ARG 70 151.984 -6.824 -3.615 580 2HD ARG 70 HD1 ARG 70 152.993 -5.666 -4.481 581 HE ARG 70 HE ARG 70 152.346 -4.482 -2.070 582 1HH1 ARG 70 HH11 ARG 70 154.025 -7.351 -3.132 583 2HH1 ARG 70 HH12 ARG 70 155.086 -7.388 -1.764 584 1HH2 ARG 70 HH21 ARG 70 153.738 -4.531 -0.269 585 2HH2 ARG 70 HH22 ARG 70 154.922 -5.789 -0.137 586 H ALA 71 HN ALA 71 149.886 -2.237 -4.019 587 HA ALA 71 HA ALA 71 152.331 -0.634 -4.336 588 1HB ALA 71 HB1 ALA 71 149.539 0.297 -4.090 589 2HB ALA 71 HB2 ALA 71 150.920 1.045 -4.891 590 3HB ALA 71 HB3 ALA 71 150.744 1.168 -3.142 591 H ASP 72 HN ASP 72 153.156 0.312 -2.312 592 HA ASP 72 HA ASP 72 152.103 -1.084 0.061 593 1HB ASP 72 HB2 ASP 72 154.170 -2.213 -0.971 594 2HB ASP 72 HB1 ASP 72 155.070 -0.809 -0.407 595 H ILE 73 HN ILE 73 151.866 0.182 1.776 596 HA ILE 73 HA ILE 73 153.229 2.793 1.778 597 HB ILE 73 HB ILE 73 150.541 2.219 3.020 598 1HG1 ILE 73 HG12 ILE 73 151.287 3.302 0.309 599 2HG1 ILE 73 HG11 ILE 73 150.139 2.031 0.703 600 1HG2 ILE 73 HG21 ILE 73 151.735 4.030 4.082 601 2HG2 ILE 73 HG22 ILE 73 150.399 4.683 3.136 602 3HG2 ILE 73 HG23 ILE 73 152.049 4.784 2.519 603 1HD1 ILE 73 HD11 ILE 73 148.640 3.651 0.294 604 2HD1 ILE 73 HD12 ILE 73 149.784 4.948 0.634 605 3HD1 ILE 73 HD13 ILE 73 148.985 4.107 1.962 606 H SER 74 HN SER 74 154.012 3.569 3.728 607 HA SER 74 HA SER 74 153.774 1.875 6.091 608 1HB SER 74 HB2 SER 74 156.244 1.922 6.439 609 2HB SER 74 HB1 SER 74 155.769 1.002 5.011 610 HG SER 74 HG SER 74 156.587 3.717 4.950 611 H GLU 75 HN GLU 75 153.727 3.022 7.955 612 HA GLU 75 HA GLU 75 154.601 5.820 7.860 613 1HB GLU 75 HB2 GLU 75 151.981 4.868 9.028 614 2HB GLU 75 HB1 GLU 75 152.592 6.517 9.081 615 1HG GLU 75 HG2 GLU 75 152.049 5.046 6.520 616 2HG GLU 75 HG1 GLU 75 150.853 6.050 7.334 617 H ASP 76 HN ASP 76 156.396 4.492 8.916 618 HA ASP 76 HA ASP 76 155.975 3.637 11.595 619 1HB ASP 76 HB2 ASP 76 158.167 3.582 9.650 620 2HB ASP 76 HB1 ASP 76 158.690 3.779 11.321 621 H TYR 77 HN TYR 77 158.025 4.454 13.076 622 HA TYR 77 HA TYR 77 158.160 7.365 12.993 623 1HB TYR 77 HB2 TYR 77 156.359 6.025 14.692 624 2HB TYR 77 HB1 TYR 77 157.685 6.564 15.718 625 HD1 TYR 77 HD1 TYR 77 154.590 7.473 14.466 626 HD2 TYR 77 HD2 TYR 77 158.473 9.079 15.126 627 HE1 TYR 77 HE1 TYR 77 153.639 9.742 14.490 628 HE2 TYR 77 HE2 TYR 77 157.535 11.353 15.154 629 HH TYR 77 HH TYR 77 155.532 12.530 14.281 630 H LYS 78 HN LYS 78 159.187 4.362 14.561 631 HA LYS 78 HA LYS 78 161.383 5.407 15.970 632 1HB LYS 78 HB2 LYS 78 160.325 3.065 16.144 633 2HB LYS 78 HB1 LYS 78 161.323 2.647 14.757 634 1HG LYS 78 HG2 LYS 78 162.864 2.069 16.256 635 2HG LYS 78 HG1 LYS 78 163.134 3.803 16.454 636 1HD LYS 78 HD2 LYS 78 162.704 3.383 18.622 637 2HD LYS 78 HD1 LYS 78 161.016 3.419 18.105 638 1HE LYS 78 HE2 LYS 78 160.778 1.161 18.260 639 2HE LYS 78 HE1 LYS 78 162.462 0.845 17.845 640 1HZ LYS 78 HZ1 LYS 78 162.051 0.276 20.135 641 2HZ LYS 78 HZ2 LYS 78 161.454 1.824 20.462 642 3HZ LYS 78 HZ3 LYS 78 163.087 1.611 20.073 643 H THR 79 HN THR 79 161.181 3.813 12.817 644 HA THR 79 HA THR 79 163.817 4.877 12.105 645 HB THR 79 HB THR 79 162.242 3.090 10.296 646 HG1 THR 79 HG1 THR 79 163.496 2.305 12.702 647 1HG2 THR 79 HG21 THR 79 164.684 2.063 10.287 648 2HG2 THR 79 HG22 THR 79 165.093 3.706 10.780 649 3HG2 THR 79 HG23 THR 79 164.227 3.428 9.268 650 H ARG 80 HN ARG 80 160.843 6.004 12.152 651 HA ARG 80 HA ARG 80 159.524 7.391 10.934 652 1HB ARG 80 HB2 ARG 80 160.623 9.361 10.142 653 2HB ARG 80 HB1 ARG 80 161.459 8.813 11.587 654 1HG ARG 80 HG2 ARG 80 163.380 8.455 10.494 655 2HG ARG 80 HG1 ARG 80 162.571 7.781 9.079 656 1HD ARG 80 HD2 ARG 80 161.924 10.079 8.414 657 2HD ARG 80 HD1 ARG 80 162.866 10.699 9.770 658 HE ARG 80 HE ARG 80 164.738 10.432 8.505 659 1HH1 ARG 80 HH11 ARG 80 162.251 8.350 7.215 660 2HH1 ARG 80 HH12 ARG 80 163.211 7.827 5.871 661 1HH2 ARG 80 HH21 ARG 80 166.001 9.747 6.740 662 2HH2 ARG 80 HH22 ARG 80 165.339 8.621 5.600 663 H GLY 81 HN GLY 81 159.492 5.090 9.641 664 1HA GLY 81 HA2 GLY 81 160.238 5.503 6.854 665 2HA GLY 81 HA1 GLY 81 159.551 4.039 7.544 666 H ARG 82 HN ARG 82 158.467 7.434 7.463 667 HA ARG 82 HA ARG 82 155.801 6.534 6.747 668 1HB ARG 82 HB2 ARG 82 156.973 8.955 7.932 669 2HB ARG 82 HB1 ARG 82 155.650 9.262 6.816 670 1HG ARG 82 HG2 ARG 82 154.167 7.883 8.100 671 2HG ARG 82 HG1 ARG 82 155.487 7.368 9.149 672 1HD ARG 82 HD2 ARG 82 155.500 9.313 10.317 673 2HD ARG 82 HD1 ARG 82 155.033 10.281 8.919 674 HE ARG 82 HE ARG 82 152.943 8.565 9.903 675 1HH1 ARG 82 HH11 ARG 82 154.470 11.689 10.215 676 2HH1 ARG 82 HH12 ARG 82 153.070 12.442 10.901 677 1HH2 ARG 82 HH21 ARG 82 151.102 9.557 10.803 678 2HH2 ARG 82 HH22 ARG 82 151.159 11.234 11.232 679 H LYS 83 HN LYS 83 155.430 6.145 4.656 680 HA LYS 83 HA LYS 83 155.346 8.071 2.707 681 1HB LYS 83 HB2 LYS 83 157.390 7.209 1.306 682 2HB LYS 83 HB1 LYS 83 157.597 8.472 2.510 683 1HG LYS 83 HG2 LYS 83 159.195 7.246 3.427 684 2HG LYS 83 HG1 LYS 83 157.968 6.069 3.893 685 1HD LYS 83 HD2 LYS 83 158.581 4.609 2.292 686 2HD LYS 83 HD1 LYS 83 158.869 5.879 1.100 687 1HE LYS 83 HE2 LYS 83 161.033 5.358 1.394 688 2HE LYS 83 HE1 LYS 83 160.891 6.326 2.861 689 1HZ LYS 83 HZ1 LYS 83 161.098 3.437 2.554 690 2HZ LYS 83 HZ2 LYS 83 160.068 3.988 3.778 691 3HZ LYS 83 HZ3 LYS 83 161.697 4.441 3.776 692 H LEU 84 HN LEU 84 154.301 7.376 0.959 693 HA LEU 84 HA LEU 84 153.895 4.479 0.659 694 1HB LEU 84 HB2 LEU 84 152.076 5.618 -1.026 695 2HB LEU 84 HB1 LEU 84 151.742 5.142 0.625 696 HG LEU 84 HG LEU 84 152.699 7.915 -0.012 697 1HD1 LEU 84 HD11 LEU 84 150.481 6.984 -1.202 698 2HD1 LEU 84 HD12 LEU 84 150.664 8.648 -0.648 699 3HD1 LEU 84 HD13 LEU 84 149.808 7.475 0.353 700 1HD2 LEU 84 HD21 LEU 84 152.059 8.442 2.114 701 2HD2 LEU 84 HD22 LEU 84 152.504 6.752 2.350 702 3HD2 LEU 84 HD23 LEU 84 150.809 7.199 2.165 703 H LEU 85 HN LEU 85 154.481 3.462 -1.273 704 HA LEU 85 HA LEU 85 155.350 5.129 -3.500 705 1HB LEU 85 HB2 LEU 85 157.551 3.667 -3.409 706 2HB LEU 85 HB1 LEU 85 157.404 5.188 -2.549 707 HG LEU 85 HG LEU 85 156.776 2.567 -1.203 708 1HD1 LEU 85 HD11 LEU 85 159.179 2.990 -0.243 709 2HD1 LEU 85 HD12 LEU 85 159.429 3.810 -1.783 710 3HD1 LEU 85 HD13 LEU 85 158.963 2.109 -1.755 711 1HD2 LEU 85 HD21 LEU 85 157.767 4.161 0.691 712 2HD2 LEU 85 HD22 LEU 85 156.064 4.155 0.252 713 3HD2 LEU 85 HD23 LEU 85 157.135 5.397 -0.396 714 H ARG 86 HN ARG 86 156.177 1.783 -2.608 715 HA ARG 86 HA ARG 86 156.315 0.407 -4.760 716 1HB ARG 86 HB2 ARG 86 154.953 -0.199 -2.252 717 2HB ARG 86 HB1 ARG 86 154.413 -1.202 -3.592 718 1HG ARG 86 HG2 ARG 86 157.094 -1.312 -3.928 719 2HG ARG 86 HG1 ARG 86 156.985 -1.150 -2.174 720 1HD ARG 86 HD2 ARG 86 155.097 -3.011 -2.563 721 2HD ARG 86 HD1 ARG 86 156.139 -3.367 -3.939 722 HE ARG 86 HE ARG 86 157.505 -3.119 -1.404 723 1HH1 ARG 86 HH11 ARG 86 155.938 -5.284 -3.653 724 2HH1 ARG 86 HH12 ARG 86 156.757 -6.689 -3.059 725 1HH2 ARG 86 HH21 ARG 86 158.579 -4.965 -0.625 726 2HH2 ARG 86 HH22 ARG 86 158.256 -6.509 -1.341 727 H PHE 87 HN PHE 87 155.403 0.047 -6.634 728 HA PHE 87 HA PHE 87 152.522 0.316 -6.986 729 1HB PHE 87 HB2 PHE 87 154.320 2.381 -7.680 730 2HB PHE 87 HB1 PHE 87 153.844 1.622 -9.192 731 HD1 PHE 87 HD1 PHE 87 152.036 2.522 -10.257 732 HD2 PHE 87 HD2 PHE 87 152.238 2.743 -6.013 733 HE1 PHE 87 HE1 PHE 87 149.931 3.795 -10.228 734 HE2 PHE 87 HE2 PHE 87 150.135 4.015 -5.976 735 HZ PHE 87 HZ PHE 87 148.977 4.543 -8.086 736 H ASN 88 HN ASN 88 153.890 -2.032 -6.976 737 HA ASN 88 HA ASN 88 153.482 -2.955 -9.691 738 1HB ASN 88 HB2 ASN 88 155.970 -2.224 -9.307 739 2HB ASN 88 HB1 ASN 88 156.081 -3.745 -8.427 740 1HD2 ASN 88 HD21 ASN 88 155.552 -2.253 -11.525 741 2HD2 ASN 88 HD22 ASN 88 155.811 -3.673 -12.476 742 H GLY 89 HN GLY 89 152.665 -4.978 -9.739 743 1HA GLY 89 HA2 GLY 89 152.628 -6.447 -7.178 744 2HA GLY 89 HA1 GLY 89 151.329 -6.489 -8.358 745 HA PRO 90 HA PRO 90 155.201 -9.472 -9.283 746 1HB PRO 90 HB2 PRO 90 154.190 -11.158 -7.046 747 2HB PRO 90 HB1 PRO 90 155.848 -10.892 -7.595 748 1HG PRO 90 HG2 PRO 90 154.952 -9.732 -5.372 749 2HG PRO 90 HG1 PRO 90 156.033 -8.866 -6.481 750 1HD PRO 90 HD2 PRO 90 153.086 -8.577 -6.090 751 2HD PRO 90 HD1 PRO 90 154.307 -7.335 -6.435 752 H VAL 91 HN VAL 91 154.837 -11.947 -9.734 753 HA VAL 91 HA VAL 91 152.019 -12.474 -10.354 754 HB VAL 91 HB VAL 91 153.023 -11.536 -12.391 755 1HG1 VAL 91 HG11 VAL 91 154.743 -12.987 -13.572 756 2HG1 VAL 91 HG12 VAL 91 155.005 -13.760 -12.010 757 3HG1 VAL 91 HG13 VAL 91 155.314 -12.035 -12.202 758 1HG2 VAL 91 HG21 VAL 91 151.920 -12.965 -13.744 759 2HG2 VAL 91 HG22 VAL 91 151.439 -13.706 -12.218 760 3HG2 VAL 91 HG23 VAL 91 152.786 -14.377 -13.138 Start of MODEL 21 1 1H GLY 1 HT1 GLY 1 152.658 -4.130 18.110 2 2H GLY 1 HT2 GLY 1 151.462 -5.217 17.614 3 3H GLY 1 HT3 GLY 1 151.294 -3.567 17.285 4 1HA GLY 1 HA1 GLY 1 152.581 -3.631 15.477 5 2HA GLY 1 HA2 GLY 1 153.730 -4.710 16.257 6 H GLU 2 HN GLU 2 150.322 -4.853 15.205 7 HA GLU 2 HA GLU 2 150.732 -6.792 13.223 8 1HB GLU 2 HB2 GLU 2 151.180 -8.043 15.492 9 2HB GLU 2 HB1 GLU 2 149.425 -8.078 15.588 10 1HG GLU 2 HG2 GLU 2 149.289 -9.275 13.504 11 2HG GLU 2 HG1 GLU 2 151.032 -9.141 13.276 12 H TRP 3 HN TRP 3 148.739 -7.560 12.279 13 HA TRP 3 HA TRP 3 146.182 -6.958 13.236 14 1HB TRP 3 HB2 TRP 3 147.546 -4.664 12.296 15 2HB TRP 3 HB1 TRP 3 146.331 -5.061 11.085 16 HD1 TRP 3 HD1 TRP 3 145.786 -5.598 14.855 17 HE1 TRP 3 HE1 TRP 3 143.850 -4.080 15.616 18 HE3 TRP 3 HE3 TRP 3 145.053 -2.983 10.524 19 HZ2 TRP 3 HZ2 TRP 3 142.229 -2.045 14.524 20 HZ3 TRP 3 HZ3 TRP 3 143.290 -1.268 10.465 21 HH2 TRP 3 HH2 TRP 3 141.907 -0.811 12.423 22 H GLU 4 HN GLU 4 148.252 -7.231 10.401 23 HA GLU 4 HA GLU 4 147.932 -8.150 8.337 24 1HB GLU 4 HB2 GLU 4 147.353 -10.442 8.378 25 2HB GLU 4 HB1 GLU 4 148.109 -10.107 9.926 26 1HG GLU 4 HG2 GLU 4 145.199 -9.814 9.938 27 2HG GLU 4 HG1 GLU 4 145.764 -11.440 9.565 28 H ILE 5 HN ILE 5 145.979 -9.595 7.126 29 HA ILE 5 HA ILE 5 144.227 -7.695 6.176 30 HB ILE 5 HB ILE 5 144.719 -9.776 4.985 31 1HG1 ILE 5 HG12 ILE 5 142.441 -10.249 4.169 32 2HG1 ILE 5 HG11 ILE 5 141.769 -9.422 5.571 33 1HG2 ILE 5 HG21 ILE 5 143.536 -11.857 5.635 34 2HG2 ILE 5 HG22 ILE 5 143.039 -11.064 7.129 35 3HG2 ILE 5 HG23 ILE 5 144.750 -11.341 6.805 36 1HD1 ILE 5 HD11 ILE 5 141.867 -7.494 4.500 37 2HD1 ILE 5 HD12 ILE 5 142.480 -8.337 3.077 38 3HD1 ILE 5 HD13 ILE 5 143.605 -7.683 4.266 39 H ILE 6 HN ILE 6 142.053 -7.219 6.514 40 HA ILE 6 HA ILE 6 140.722 -8.448 8.816 41 HB ILE 6 HB ILE 6 140.853 -5.453 8.474 42 1HG1 ILE 6 HG12 ILE 6 142.259 -7.111 10.571 43 2HG1 ILE 6 HG11 ILE 6 143.050 -6.518 9.113 44 1HG2 ILE 6 HG21 ILE 6 140.097 -6.702 11.035 45 2HG2 ILE 6 HG22 ILE 6 138.946 -6.885 9.712 46 3HG2 ILE 6 HG23 ILE 6 139.446 -5.276 10.228 47 1HD1 ILE 6 HD11 ILE 6 142.932 -5.224 11.520 48 2HD1 ILE 6 HD12 ILE 6 141.666 -4.428 10.585 49 3HD1 ILE 6 HD13 ILE 6 143.316 -4.484 9.966 50 H GLU 7 HN GLU 7 140.161 -5.691 6.617 51 HA GLU 7 HA GLU 7 137.514 -6.821 6.021 52 1HB GLU 7 HB2 GLU 7 138.494 -4.001 5.549 53 2HB GLU 7 HB1 GLU 7 136.844 -4.584 5.370 54 1HG GLU 7 HG2 GLU 7 136.428 -4.110 7.485 55 2HG GLU 7 HG1 GLU 7 137.716 -5.198 8.000 56 H ILE 8 HN ILE 8 136.720 -6.159 3.744 57 HA ILE 8 HA ILE 8 138.887 -6.374 1.778 58 HB ILE 8 HB ILE 8 137.967 -8.646 2.236 59 1HG1 ILE 8 HG12 ILE 8 137.829 -9.317 -0.057 60 2HG1 ILE 8 HG11 ILE 8 137.284 -7.722 -0.558 61 1HG2 ILE 8 HG21 ILE 8 135.434 -7.483 1.093 62 2HG2 ILE 8 HG22 ILE 8 135.679 -8.066 2.741 63 3HG2 ILE 8 HG23 ILE 8 135.725 -9.198 1.389 64 1HD1 ILE 8 HD11 ILE 8 139.672 -8.307 -1.081 65 2HD1 ILE 8 HD12 ILE 8 139.985 -8.208 0.652 66 3HD1 ILE 8 HD13 ILE 8 139.420 -6.786 -0.225 67 H GLY 9 HN GLY 9 136.571 -4.451 2.781 68 1HA GLY 9 HA2 GLY 9 135.404 -3.912 0.136 69 2HA GLY 9 HA1 GLY 9 134.764 -3.334 1.664 70 HA PRO 10 HA PRO 10 136.653 0.564 0.772 71 1HB PRO 10 HB2 PRO 10 136.952 1.507 3.325 72 2HB PRO 10 HB1 PRO 10 135.420 1.517 2.446 73 1HG PRO 10 HG2 PRO 10 136.418 -0.422 4.494 74 2HG PRO 10 HG1 PRO 10 134.798 0.278 4.308 75 1HD PRO 10 HD2 PRO 10 135.372 -2.220 3.484 76 2HD PRO 10 HD1 PRO 10 134.225 -1.183 2.609 77 H PHE 11 HN PHE 11 138.098 -1.595 3.138 78 HA PHE 11 HA PHE 11 140.524 -0.361 3.570 79 1HB PHE 11 HB2 PHE 11 139.763 -2.346 4.801 80 2HB PHE 11 HB1 PHE 11 139.979 -3.326 3.355 81 HD1 PHE 11 HD1 PHE 11 142.374 -3.334 2.339 82 HD2 PHE 11 HD2 PHE 11 141.473 -2.196 6.339 83 HE1 PHE 11 HE1 PHE 11 144.705 -3.781 2.986 84 HE2 PHE 11 HE2 PHE 11 143.804 -2.640 6.994 85 HZ PHE 11 HZ PHE 11 145.421 -3.434 5.314 86 H THR 12 HN THR 12 139.625 -2.603 0.970 87 HA THR 12 HA THR 12 142.193 -2.615 -0.241 88 HB THR 12 HB THR 12 140.388 -3.329 -2.211 89 HG1 THR 12 HG1 THR 12 138.902 -4.665 -1.061 90 1HG2 THR 12 HG21 THR 12 141.405 -5.304 -2.087 91 2HG2 THR 12 HG22 THR 12 140.952 -5.525 -0.399 92 3HG2 THR 12 HG23 THR 12 142.381 -4.581 -0.811 93 H GLN 13 HN GLN 13 139.113 -1.238 -1.428 94 HA GLN 13 HA GLN 13 140.139 0.208 -3.542 95 1HB GLN 13 HB2 GLN 13 138.148 1.577 -3.443 96 2HB GLN 13 HB1 GLN 13 137.726 -0.090 -3.081 97 1HG GLN 13 HG2 GLN 13 136.823 0.514 -1.162 98 2HG GLN 13 HG1 GLN 13 138.337 1.257 -0.645 99 1HE2 GLN 13 HE21 GLN 13 138.717 3.417 -1.946 100 2HE2 GLN 13 HE22 GLN 13 137.379 4.508 -1.902 101 H ASN 14 HN ASN 14 140.365 0.854 -0.146 102 HA ASN 14 HA ASN 14 140.847 3.565 -0.067 103 1HB ASN 14 HB2 ASN 14 141.250 1.316 1.663 104 2HB ASN 14 HB1 ASN 14 142.689 2.330 1.716 105 1HD2 ASN 14 HD21 ASN 14 139.640 1.848 2.950 106 2HD2 ASN 14 HD22 ASN 14 139.403 3.388 3.697 107 H LEU 15 HN LEU 15 143.390 1.051 -0.187 108 HA LEU 15 HA LEU 15 145.538 2.712 -0.686 109 1HB LEU 15 HB2 LEU 15 145.360 0.091 -0.411 110 2HB LEU 15 HB1 LEU 15 145.355 0.118 -2.163 111 HG LEU 15 HG LEU 15 147.595 -0.210 -1.672 112 1HD1 LEU 15 HD11 LEU 15 147.262 1.743 -3.160 113 2HD1 LEU 15 HD12 LEU 15 148.779 1.784 -2.262 114 3HD1 LEU 15 HD13 LEU 15 147.425 2.795 -1.754 115 1HD2 LEU 15 HD21 LEU 15 148.786 1.104 0.102 116 2HD2 LEU 15 HD22 LEU 15 147.560 -0.019 0.693 117 3HD2 LEU 15 HD23 LEU 15 147.210 1.708 0.613 118 H GLY 16 HN GLY 16 143.021 1.580 -2.829 119 1HA GLY 16 HA2 GLY 16 144.142 2.236 -5.307 120 2HA GLY 16 HA1 GLY 16 142.421 2.244 -4.947 121 H LYS 17 HN LYS 17 142.354 4.270 -3.007 122 HA LYS 17 HA LYS 17 142.245 6.566 -4.644 123 1HB LYS 17 HB2 LYS 17 140.857 6.260 -2.629 124 2HB LYS 17 HB1 LYS 17 142.295 6.393 -1.625 125 1HG LYS 17 HG2 LYS 17 142.463 8.688 -3.041 126 2HG LYS 17 HG1 LYS 17 140.712 8.479 -2.952 127 1HD LYS 17 HD2 LYS 17 142.153 8.003 -0.433 128 2HD LYS 17 HD1 LYS 17 142.223 9.662 -1.030 129 1HE LYS 17 HE2 LYS 17 140.044 10.034 -0.613 130 2HE LYS 17 HE1 LYS 17 139.564 8.428 -1.160 131 1HZ LYS 17 HZ1 LYS 17 139.698 7.590 0.909 132 2HZ LYS 17 HZ2 LYS 17 139.481 9.199 1.379 133 3HZ LYS 17 HZ3 LYS 17 141.034 8.531 1.343 134 H PHE 18 HN PHE 18 144.411 5.860 -1.898 135 HA PHE 18 HA PHE 18 146.142 8.040 -2.472 136 1HB PHE 18 HB2 PHE 18 145.866 6.054 -0.417 137 2HB PHE 18 HB1 PHE 18 147.549 6.135 -0.928 138 HD1 PHE 18 HD1 PHE 18 147.959 8.927 -1.530 139 HD2 PHE 18 HD2 PHE 18 145.694 7.144 1.601 140 HE1 PHE 18 HE1 PHE 18 148.280 10.942 -0.156 141 HE2 PHE 18 HE2 PHE 18 146.012 9.156 2.981 142 HZ PHE 18 HZ PHE 18 147.305 11.058 2.104 143 H ALA 19 HN ALA 19 145.765 5.055 -3.942 144 HA ALA 19 HA ALA 19 148.442 4.397 -4.568 145 1HB ALA 19 HB1 ALA 19 145.777 3.515 -5.406 146 2HB ALA 19 HB2 ALA 19 147.238 2.579 -5.092 147 3HB ALA 19 HB3 ALA 19 147.014 3.368 -6.654 148 H VAL 20 HN VAL 20 145.921 5.995 -6.523 149 HA VAL 20 HA VAL 20 147.717 6.688 -8.620 150 HB VAL 20 HB VAL 20 145.299 6.468 -9.000 151 1HG1 VAL 20 HG11 VAL 20 143.701 7.663 -7.946 152 2HG1 VAL 20 HG12 VAL 20 144.685 9.124 -7.879 153 3HG1 VAL 20 HG13 VAL 20 144.944 7.832 -6.708 154 1HG2 VAL 20 HG21 VAL 20 146.982 8.232 -10.170 155 2HG2 VAL 20 HG22 VAL 20 145.688 9.312 -9.651 156 3HG2 VAL 20 HG23 VAL 20 145.326 7.944 -10.703 157 H ASP 21 HN ASP 21 146.625 8.294 -5.699 158 HA ASP 21 HA ASP 21 147.630 10.874 -6.382 159 1HB ASP 21 HB2 ASP 21 145.905 10.106 -4.529 160 2HB ASP 21 HB1 ASP 21 147.354 10.016 -3.532 161 H GLU 22 HN GLU 22 149.007 8.025 -4.899 162 HA GLU 22 HA GLU 22 151.488 9.507 -4.373 163 1HB GLU 22 HB2 GLU 22 150.136 7.750 -2.757 164 2HB GLU 22 HB1 GLU 22 151.377 6.723 -3.462 165 1HG GLU 22 HG2 GLU 22 152.911 7.568 -2.114 166 2HG GLU 22 HG1 GLU 22 152.536 9.206 -2.644 167 H GLU 23 HN GLU 23 150.103 7.518 -6.681 168 HA GLU 23 HA GLU 23 152.081 5.738 -7.432 169 1HB GLU 23 HB2 GLU 23 149.920 5.732 -8.516 170 2HB GLU 23 HB1 GLU 23 150.189 7.348 -9.155 171 1HG GLU 23 HG2 GLU 23 152.116 5.215 -9.892 172 2HG GLU 23 HG1 GLU 23 150.515 5.188 -10.630 173 H ASN 24 HN ASN 24 151.972 9.183 -7.715 174 HA ASN 24 HA ASN 24 153.988 9.493 -9.686 175 1HB ASN 24 HB2 ASN 24 152.630 11.281 -7.712 176 2HB ASN 24 HB1 ASN 24 154.098 11.852 -8.501 177 1HD2 ASN 24 HD21 ASN 24 151.254 9.993 -9.538 178 2HD2 ASN 24 HD22 ASN 24 150.886 10.995 -10.897 179 H LYS 25 HN LYS 25 154.121 8.656 -6.364 180 HA LYS 25 HA LYS 25 156.714 9.743 -5.823 181 1HB LYS 25 HB2 LYS 25 154.683 8.319 -4.355 182 2HB LYS 25 HB1 LYS 25 156.257 7.598 -4.058 183 1HG LYS 25 HG2 LYS 25 156.836 10.238 -3.819 184 2HG LYS 25 HG1 LYS 25 155.177 10.187 -3.218 185 1HD LYS 25 HD2 LYS 25 155.742 8.600 -1.544 186 2HD LYS 25 HD1 LYS 25 157.325 8.304 -2.265 187 1HE LYS 25 HE2 LYS 25 156.597 11.049 -1.335 188 2HE LYS 25 HE1 LYS 25 157.114 9.834 -0.166 189 1HZ LYS 25 HZ1 LYS 25 158.731 10.331 -2.576 190 2HZ LYS 25 HZ2 LYS 25 159.214 9.734 -1.069 191 3HZ LYS 25 HZ3 LYS 25 158.855 11.378 -1.252 192 H ILE 26 HN ILE 26 155.954 6.287 -5.497 193 HA ILE 26 HA ILE 26 158.430 5.264 -5.917 194 HB ILE 26 HB ILE 26 156.421 3.947 -5.321 195 1HG1 ILE 26 HG12 ILE 26 158.602 2.926 -6.111 196 2HG1 ILE 26 HG11 ILE 26 157.184 1.896 -6.246 197 1HG2 ILE 26 HG21 ILE 26 154.776 3.331 -6.806 198 2HG2 ILE 26 HG22 ILE 26 155.788 3.620 -8.220 199 3HG2 ILE 26 HG23 ILE 26 155.124 4.981 -7.317 200 1HD1 ILE 26 HD11 ILE 26 157.317 3.168 -8.697 201 2HD1 ILE 26 HD12 ILE 26 157.821 1.519 -8.333 202 3HD1 ILE 26 HD13 ILE 26 158.999 2.832 -8.289 203 H GLY 27 HN GLY 27 156.162 6.274 -8.431 204 1HA GLY 27 HA2 GLY 27 158.098 5.514 -10.499 205 2HA GLY 27 HA1 GLY 27 156.423 5.968 -10.774 206 H GLN 28 HN GLN 28 158.772 6.971 -12.123 207 HA GLN 28 HA GLN 28 159.398 9.572 -11.143 208 1HB GLN 28 HB2 GLN 28 159.925 8.057 -13.659 209 2HB GLN 28 HB1 GLN 28 160.148 9.800 -13.672 210 1HG GLN 28 HG2 GLN 28 161.964 9.723 -12.324 211 2HG GLN 28 HG1 GLN 28 161.394 8.302 -11.449 212 1HE2 GLN 28 HE21 GLN 28 163.867 9.228 -13.150 213 2HE2 GLN 28 HE22 GLN 28 164.240 7.801 -14.050 214 H TYR 29 HN TYR 29 157.303 8.379 -13.752 215 HA TYR 29 HA TYR 29 156.008 11.025 -13.816 216 1HB TYR 29 HB2 TYR 29 157.188 9.874 -15.915 217 2HB TYR 29 HB1 TYR 29 155.617 9.088 -16.045 218 HD1 TYR 29 HD1 TYR 29 157.495 11.894 -16.992 219 HD2 TYR 29 HD2 TYR 29 153.554 10.738 -15.888 220 HE1 TYR 29 HE1 TYR 29 156.601 13.884 -18.127 221 HE2 TYR 29 HE2 TYR 29 152.646 12.724 -17.021 222 HH TYR 29 HH TYR 29 154.121 14.419 -19.226 223 H GLY 30 HN GLY 30 153.780 11.161 -13.716 224 1HA GLY 30 HA2 GLY 30 152.461 8.749 -12.690 225 2HA GLY 30 HA1 GLY 30 151.900 10.401 -12.471 226 H ARG 31 HN ARG 31 150.574 7.924 -13.521 227 HA ARG 31 HA ARG 31 149.363 9.205 -15.835 228 1HB ARG 31 HB2 ARG 31 149.585 7.297 -17.286 229 2HB ARG 31 HB1 ARG 31 151.185 7.758 -16.727 230 1HG ARG 31 HG2 ARG 31 151.301 5.923 -15.245 231 2HG ARG 31 HG1 ARG 31 149.583 5.569 -15.435 232 1HD ARG 31 HD2 ARG 31 149.898 4.821 -17.666 233 2HD ARG 31 HD1 ARG 31 151.549 5.442 -17.710 234 HE ARG 31 HE ARG 31 151.118 3.449 -15.684 235 1HH1 ARG 31 HH11 ARG 31 151.903 3.990 -19.042 236 2HH1 ARG 31 HH12 ARG 31 152.718 2.472 -19.226 237 1HH2 ARG 31 HH21 ARG 31 152.190 1.453 -15.924 238 2HH2 ARG 31 HH22 ARG 31 152.881 1.032 -17.457 239 H LEU 32 HN LEU 32 147.768 7.069 -16.667 240 HA LEU 32 HA LEU 32 145.729 7.135 -14.690 241 1HB LEU 32 HB2 LEU 32 145.373 7.018 -17.173 242 2HB LEU 32 HB1 LEU 32 145.881 5.341 -17.109 243 HG LEU 32 HG LEU 32 143.653 6.156 -15.319 244 1HD1 LEU 32 HD11 LEU 32 143.572 6.292 -18.269 245 2HD1 LEU 32 HD12 LEU 32 142.604 7.141 -17.064 246 3HD1 LEU 32 HD13 LEU 32 142.230 5.469 -17.477 247 1HD2 LEU 32 HD21 LEU 32 144.852 3.805 -15.830 248 2HD2 LEU 32 HD22 LEU 32 143.562 3.756 -17.031 249 3HD2 LEU 32 HD23 LEU 32 143.170 3.952 -15.323 250 H THR 33 HN THR 33 145.221 5.727 -13.128 251 HA THR 33 HA THR 33 146.197 2.994 -13.191 252 HB THR 33 HB THR 33 146.985 4.878 -10.953 253 HG1 THR 33 HG1 THR 33 148.693 3.579 -12.794 254 1HG2 THR 33 HG21 THR 33 148.578 2.707 -10.697 255 2HG2 THR 33 HG22 THR 33 147.058 1.963 -11.193 256 3HG2 THR 33 HG23 THR 33 147.111 2.995 -9.764 257 H PHE 34 HN PHE 34 143.616 4.578 -13.057 258 HA PHE 34 HA PHE 34 142.568 3.574 -10.504 259 1HB PHE 34 HB2 PHE 34 142.282 6.040 -11.508 260 2HB PHE 34 HB1 PHE 34 140.885 5.278 -12.263 261 HD1 PHE 34 HD1 PHE 34 142.390 6.365 -9.124 262 HD2 PHE 34 HD2 PHE 34 139.035 4.462 -10.925 263 HE1 PHE 34 HE1 PHE 34 141.117 6.639 -7.037 264 HE2 PHE 34 HE2 PHE 34 137.757 4.735 -8.841 265 HZ PHE 34 HZ PHE 34 138.798 5.825 -6.892 266 H ASN 35 HN ASN 35 142.812 1.426 -11.715 267 HA ASN 35 HA ASN 35 140.512 0.895 -13.452 268 1HB ASN 35 HB2 ASN 35 143.203 -0.084 -13.369 269 2HB ASN 35 HB1 ASN 35 142.100 -1.439 -13.153 270 1HD2 ASN 35 HD21 ASN 35 141.524 -2.387 -14.955 271 2HD2 ASN 35 HD22 ASN 35 141.392 -1.642 -16.509 272 H LYS 36 HN LYS 36 142.151 -1.272 -11.166 273 HA LYS 36 HA LYS 36 139.739 -1.471 -9.547 274 1HB LYS 36 HB2 LYS 36 140.901 -3.776 -11.107 275 2HB LYS 36 HB1 LYS 36 139.840 -4.001 -9.724 276 1HG LYS 36 HG2 LYS 36 138.200 -3.999 -11.235 277 2HG LYS 36 HG1 LYS 36 138.406 -2.246 -11.231 278 1HD LYS 36 HD2 LYS 36 139.752 -2.299 -13.171 279 2HD LYS 36 HD1 LYS 36 139.970 -4.047 -13.062 280 1HE LYS 36 HE2 LYS 36 137.282 -2.765 -13.484 281 2HE LYS 36 HE1 LYS 36 138.342 -3.214 -14.820 282 1HZ LYS 36 HZ1 LYS 36 137.479 -5.142 -12.741 283 2HZ LYS 36 HZ2 LYS 36 138.204 -5.479 -14.231 284 3HZ LYS 36 HZ3 LYS 36 136.616 -4.897 -14.175 285 H VAL 37 HN VAL 37 140.853 -0.729 -7.771 286 HA VAL 37 HA VAL 37 143.304 -2.094 -6.973 287 HB VAL 37 HB VAL 37 141.893 0.340 -5.885 288 1HG1 VAL 37 HG11 VAL 37 144.297 0.358 -4.638 289 2HG1 VAL 37 HG12 VAL 37 143.938 -1.368 -4.643 290 3HG1 VAL 37 HG13 VAL 37 142.804 -0.232 -3.911 291 1HG2 VAL 37 HG21 VAL 37 144.610 0.782 -6.589 292 2HG2 VAL 37 HG22 VAL 37 143.157 1.453 -7.328 293 3HG2 VAL 37 HG23 VAL 37 143.827 -0.065 -7.922 294 H ILE 38 HN ILE 38 142.756 -4.081 -6.148 295 HA ILE 38 HA ILE 38 141.516 -4.076 -3.560 296 HB ILE 38 HB ILE 38 139.816 -5.828 -4.159 297 1HG1 ILE 38 HG12 ILE 38 139.860 -4.872 -6.975 298 2HG1 ILE 38 HG11 ILE 38 141.093 -6.041 -6.513 299 1HG2 ILE 38 HG21 ILE 38 139.411 -3.311 -3.884 300 2HG2 ILE 38 HG22 ILE 38 138.160 -4.276 -4.664 301 3HG2 ILE 38 HG23 ILE 38 139.249 -3.289 -5.638 302 1HD1 ILE 38 HD11 ILE 38 138.551 -6.904 -5.537 303 2HD1 ILE 38 HD12 ILE 38 139.636 -7.691 -6.682 304 3HD1 ILE 38 HD13 ILE 38 138.438 -6.533 -7.258 305 H LYS 39 HN LYS 39 140.961 -7.130 -4.625 306 HA LYS 39 HA LYS 39 142.004 -9.124 -4.505 307 1HB LYS 39 HB2 LYS 39 144.115 -7.326 -5.414 308 2HB LYS 39 HB1 LYS 39 144.726 -8.717 -4.528 309 1HG LYS 39 HG2 LYS 39 144.716 -9.497 -6.687 310 2HG LYS 39 HG1 LYS 39 143.159 -10.074 -6.091 311 1HD LYS 39 HD2 LYS 39 142.017 -8.806 -7.539 312 2HD LYS 39 HD1 LYS 39 143.024 -7.391 -7.226 313 1HE LYS 39 HE2 LYS 39 143.188 -8.108 -9.557 314 2HE LYS 39 HE1 LYS 39 144.734 -8.260 -8.726 315 1HZ LYS 39 HZ1 LYS 39 143.668 -10.687 -8.337 316 2HZ LYS 39 HZ2 LYS 39 144.711 -10.304 -9.611 317 3HZ LYS 39 HZ3 LYS 39 143.039 -10.309 -9.861 318 HA PRO 40 HA PRO 40 143.026 -10.240 -0.399 319 1HB PRO 40 HB2 PRO 40 145.638 -11.309 -1.380 320 2HB PRO 40 HB1 PRO 40 144.421 -12.079 -0.355 321 1HG PRO 40 HG2 PRO 40 144.626 -12.730 -2.924 322 2HG PRO 40 HG1 PRO 40 143.037 -12.585 -2.149 323 1HD PRO 40 HD2 PRO 40 144.396 -10.738 -4.049 324 2HD PRO 40 HD1 PRO 40 142.668 -11.084 -3.851 325 H CYS 41 HN CYS 41 143.295 -8.032 0.242 326 HA CYS 41 HA CYS 41 145.927 -6.853 0.212 327 1HB CYS 41 HB2 CYS 41 144.833 -5.018 1.483 328 2HB CYS 41 HB1 CYS 41 144.024 -5.394 -0.033 329 HG CYS 41 HG CYS 41 142.124 -5.212 1.616 330 H MET 42 HN MET 42 146.372 -5.680 2.530 331 HA MET 42 HA MET 42 145.907 -7.138 4.878 332 1HB MET 42 HB2 MET 42 147.247 -8.879 3.794 333 2HB MET 42 HB1 MET 42 148.556 -7.732 3.546 334 1HG MET 42 HG2 MET 42 148.687 -7.479 6.031 335 2HG MET 42 HG1 MET 42 147.537 -8.809 6.160 336 1HE MET 42 HE1 MET 42 148.079 -11.145 4.662 337 2HE MET 42 HE2 MET 42 149.706 -11.534 4.104 338 3HE MET 42 HE3 MET 42 148.795 -10.239 3.329 339 H LYS 43 HN LYS 43 146.870 -6.187 6.697 340 HA LYS 43 HA LYS 43 148.559 -3.833 6.180 341 1HB LYS 43 HB2 LYS 43 145.870 -3.855 7.178 342 2HB LYS 43 HB1 LYS 43 146.942 -3.280 8.446 343 1HG LYS 43 HG2 LYS 43 147.495 -2.090 5.843 344 2HG LYS 43 HG1 LYS 43 145.870 -1.758 6.441 345 1HD LYS 43 HD2 LYS 43 148.077 -1.468 8.387 346 2HD LYS 43 HD1 LYS 43 148.015 -0.275 7.088 347 1HE LYS 43 HE2 LYS 43 146.520 0.818 8.326 348 2HE LYS 43 HE1 LYS 43 145.387 -0.476 7.932 349 1HZ LYS 43 HZ1 LYS 43 145.283 -0.642 10.160 350 2HZ LYS 43 HZ2 LYS 43 146.801 0.061 10.413 351 3HZ LYS 43 HZ3 LYS 43 146.687 -1.569 9.975 352 H LYS 44 HN LYS 44 149.370 -2.957 8.419 353 HA LYS 44 HA LYS 44 149.767 -4.903 10.480 354 1HB LYS 44 HB2 LYS 44 151.807 -4.532 8.372 355 2HB LYS 44 HB1 LYS 44 152.407 -4.526 10.024 356 1HG LYS 44 HG2 LYS 44 152.234 -6.731 10.175 357 2HG LYS 44 HG1 LYS 44 150.557 -6.696 9.623 358 1HD LYS 44 HD2 LYS 44 151.259 -7.693 7.756 359 2HD LYS 44 HD1 LYS 44 152.057 -6.177 7.337 360 1HE LYS 44 HE2 LYS 44 153.221 -8.601 8.677 361 2HE LYS 44 HE1 LYS 44 153.725 -7.830 7.175 362 1HZ LYS 44 HZ1 LYS 44 154.071 -5.827 8.880 363 2HZ LYS 44 HZ2 LYS 44 155.284 -6.949 8.514 364 3HZ LYS 44 HZ3 LYS 44 154.361 -7.129 9.921 365 H THR 45 HN THR 45 148.917 -3.165 11.701 366 HA THR 45 HA THR 45 150.200 -0.640 11.788 367 HB THR 45 HB THR 45 148.291 -1.758 13.830 368 HG1 THR 45 HG1 THR 45 147.301 -2.001 11.856 369 1HG2 THR 45 HG21 THR 45 147.818 0.958 13.147 370 2HG2 THR 45 HG22 THR 45 149.518 0.764 13.576 371 3HG2 THR 45 HG23 THR 45 148.262 0.265 14.707 372 H ILE 46 HN ILE 46 151.430 0.261 13.476 373 HA ILE 46 HA ILE 46 152.452 -1.599 15.505 374 HB ILE 46 HB ILE 46 154.214 0.099 13.732 375 1HG1 ILE 46 HG12 ILE 46 155.198 -2.361 13.453 376 2HG1 ILE 46 HG11 ILE 46 153.536 -2.799 13.833 377 1HG2 ILE 46 HG21 ILE 46 154.984 -1.706 16.023 378 2HG2 ILE 46 HG22 ILE 46 154.990 0.058 16.062 379 3HG2 ILE 46 HG23 ILE 46 156.089 -0.805 14.985 380 1HD1 ILE 46 HD11 ILE 46 154.537 -1.165 11.529 381 2HD1 ILE 46 HD12 ILE 46 152.836 -1.249 11.982 382 3HD1 ILE 46 HD13 ILE 46 153.689 -2.711 11.490 383 H TYR 47 HN TYR 47 151.192 -0.416 17.000 384 HA TYR 47 HA TYR 47 152.095 2.341 17.478 385 1HB TYR 47 HB2 TYR 47 150.024 2.651 18.756 386 2HB TYR 47 HB1 TYR 47 149.676 2.109 17.118 387 HD1 TYR 47 HD1 TYR 47 149.057 -0.299 16.738 388 HD2 TYR 47 HD2 TYR 47 149.322 1.396 20.632 389 HE1 TYR 47 HE1 TYR 47 147.723 -2.161 17.632 390 HE2 TYR 47 HE2 TYR 47 147.990 -0.462 21.538 391 HH TYR 47 HH TYR 47 146.098 -2.291 19.999 392 H GLU 48 HN GLU 48 152.872 2.968 19.457 393 HA GLU 48 HA GLU 48 154.012 0.905 21.067 394 1HB GLU 48 HB2 GLU 48 155.261 2.938 20.675 395 2HB GLU 48 HB1 GLU 48 153.985 3.894 21.413 396 1HG GLU 48 HG2 GLU 48 155.650 3.735 23.045 397 2HG GLU 48 HG1 GLU 48 154.423 2.567 23.533 398 H ASN 49 HN ASN 49 152.336 3.693 22.314 399 HA ASN 49 HA ASN 49 150.187 2.286 23.506 400 1HB ASN 49 HB2 ASN 49 152.578 1.997 24.897 401 2HB ASN 49 HB1 ASN 49 151.740 3.282 25.763 402 1HD2 ASN 49 HD21 ASN 49 150.903 0.196 24.214 403 2HD2 ASN 49 HD22 ASN 49 149.946 -0.395 25.525 404 H GLU 50 HN GLU 50 152.337 5.015 24.302 405 HA GLU 50 HA GLU 50 149.981 6.730 24.596 406 1HB GLU 50 HB2 GLU 50 152.779 6.810 25.612 407 2HB GLU 50 HB1 GLU 50 151.974 8.348 25.333 408 1HG GLU 50 HG2 GLU 50 150.231 6.571 26.754 409 2HG GLU 50 HG1 GLU 50 151.785 6.689 27.578 410 H ARG 51 HN ARG 51 150.779 5.862 22.003 411 HA ARG 51 HA ARG 51 151.029 6.683 19.901 412 1HB ARG 51 HB2 ARG 51 150.298 9.085 21.480 413 2HB ARG 51 HB1 ARG 51 151.015 9.377 19.903 414 1HG ARG 51 HG2 ARG 51 149.288 7.961 18.878 415 2HG ARG 51 HG1 ARG 51 148.551 7.744 20.467 416 1HD ARG 51 HD2 ARG 51 148.981 10.419 19.149 417 2HD ARG 51 HD1 ARG 51 147.477 9.504 19.058 418 HE ARG 51 HE ARG 51 147.908 9.684 21.714 419 1HH1 ARG 51 HH11 ARG 51 147.861 12.063 19.162 420 2HH1 ARG 51 HH12 ARG 51 147.313 13.341 20.193 421 1HH2 ARG 51 HH21 ARG 51 147.187 11.363 23.072 422 2HH2 ARG 51 HH22 ARG 51 146.931 12.945 22.414 423 H GLU 52 HN GLU 52 153.327 5.867 20.990 424 HA GLU 52 HA GLU 52 155.296 7.992 20.695 425 1HB GLU 52 HB2 GLU 52 155.364 5.218 21.789 426 2HB GLU 52 HB1 GLU 52 156.867 5.956 21.254 427 1HG GLU 52 HG2 GLU 52 155.194 7.610 23.020 428 2HG GLU 52 HG1 GLU 52 155.881 6.160 23.750 429 H ILE 53 HN ILE 53 153.945 5.443 18.893 430 HA ILE 53 HA ILE 53 155.798 6.007 16.725 431 HB ILE 53 HB ILE 53 156.838 4.063 17.424 432 1HG1 ILE 53 HG12 ILE 53 154.766 3.095 15.450 433 2HG1 ILE 53 HG11 ILE 53 156.240 3.961 15.037 434 1HG2 ILE 53 HG21 ILE 53 154.598 2.226 17.659 435 2HG2 ILE 53 HG22 ILE 53 154.562 3.539 18.835 436 3HG2 ILE 53 HG23 ILE 53 155.973 2.491 18.730 437 1HD1 ILE 53 HD11 ILE 53 156.399 1.413 16.577 438 2HD1 ILE 53 HD12 ILE 53 157.582 2.153 15.500 439 3HD1 ILE 53 HD13 ILE 53 156.144 1.381 14.831 440 H LYS 54 HN LYS 54 153.319 3.581 17.081 441 HA LYS 54 HA LYS 54 151.419 3.128 15.916 442 1HB LYS 54 HB2 LYS 54 151.374 5.955 16.558 443 2HB LYS 54 HB1 LYS 54 150.474 5.619 15.087 444 1HG LYS 54 HG2 LYS 54 149.217 3.870 16.329 445 2HG LYS 54 HG1 LYS 54 150.041 4.392 17.799 446 1HD LYS 54 HD2 LYS 54 149.150 6.752 17.095 447 2HD LYS 54 HD1 LYS 54 147.985 5.810 16.164 448 1HE LYS 54 HE2 LYS 54 148.218 4.733 18.812 449 2HE LYS 54 HE1 LYS 54 147.893 6.464 18.899 450 1HZ LYS 54 HZ1 LYS 54 146.302 4.818 17.063 451 2HZ LYS 54 HZ2 LYS 54 145.871 6.228 17.891 452 3HZ LYS 54 HZ3 LYS 54 145.953 4.754 18.718 453 H GLY 55 HN GLY 55 153.129 2.346 14.309 454 1HA GLY 55 HA2 GLY 55 153.067 3.927 11.835 455 2HA GLY 55 HA1 GLY 55 154.170 2.602 12.165 456 H TYR 56 HN TYR 56 151.652 3.456 10.309 457 HA TYR 56 HA TYR 56 150.440 0.786 10.334 458 1HB TYR 56 HB2 TYR 56 148.666 1.887 8.898 459 2HB TYR 56 HB1 TYR 56 148.768 2.452 10.561 460 HD1 TYR 56 HD1 TYR 56 149.803 4.669 11.043 461 HD2 TYR 56 HD2 TYR 56 149.038 3.357 7.068 462 HE1 TYR 56 HE1 TYR 56 149.997 6.987 10.248 463 HE2 TYR 56 HE2 TYR 56 149.233 5.672 6.263 464 HH TYR 56 HH TYR 56 149.225 8.347 8.332 465 H GLU 57 HN GLU 57 151.534 -0.538 9.024 466 HA GLU 57 HA GLU 57 152.523 0.454 6.460 467 1HB GLU 57 HB2 GLU 57 154.177 -0.816 7.542 468 2HB GLU 57 HB1 GLU 57 153.026 -2.034 8.069 469 1HG GLU 57 HG2 GLU 57 153.213 -3.213 6.176 470 2HG GLU 57 HG1 GLU 57 153.271 -1.772 5.163 471 H TYR 58 HN TYR 58 151.287 0.303 4.735 472 HA TYR 58 HA TYR 58 149.058 -1.594 4.749 473 1HB TYR 58 HB2 TYR 58 149.377 1.081 3.832 474 2HB TYR 58 HB1 TYR 58 149.003 0.074 2.438 475 HD1 TYR 58 HD1 TYR 58 147.752 1.453 5.573 476 HD2 TYR 58 HD2 TYR 58 146.873 -1.134 2.312 477 HE1 TYR 58 HE1 TYR 58 145.376 1.476 6.203 478 HE2 TYR 58 HE2 TYR 58 144.494 -1.117 2.933 479 HH TYR 58 HH TYR 58 142.920 0.196 4.164 480 H GLN 59 HN GLN 59 148.573 -2.924 3.009 481 HA GLN 59 HA GLN 59 150.543 -3.311 0.903 482 1HB GLN 59 HB2 GLN 59 149.699 -5.620 2.664 483 2HB GLN 59 HB1 GLN 59 150.861 -5.659 1.345 484 1HG GLN 59 HG2 GLN 59 152.160 -3.931 2.764 485 2HG GLN 59 HG1 GLN 59 151.155 -4.518 4.087 486 1HE2 GLN 59 HE21 GLN 59 154.078 -4.728 3.461 487 2HE2 GLN 59 HE22 GLN 59 154.431 -6.414 3.589 488 H LEU 60 HN LEU 60 148.871 -2.601 -0.459 489 HA LEU 60 HA LEU 60 146.522 -4.303 -0.609 490 1HB LEU 60 HB2 LEU 60 146.745 -1.565 -0.516 491 2HB LEU 60 HB1 LEU 60 146.485 -1.875 -2.221 492 HG LEU 60 HG LEU 60 144.375 -1.417 -1.158 493 1HD1 LEU 60 HD11 LEU 60 143.139 -3.187 -1.998 494 2HD1 LEU 60 HD12 LEU 60 144.362 -4.378 -1.559 495 3HD1 LEU 60 HD13 LEU 60 144.649 -3.278 -2.904 496 1HD2 LEU 60 HD21 LEU 60 143.725 -3.436 0.518 497 2HD2 LEU 60 HD22 LEU 60 144.332 -1.868 1.042 498 3HD2 LEU 60 HD23 LEU 60 145.435 -3.235 0.891 499 H TYR 61 HN TYR 61 145.807 -5.169 -2.589 500 HA TYR 61 HA TYR 61 147.925 -5.415 -4.598 501 1HB TYR 61 HB2 TYR 61 145.537 -7.039 -3.833 502 2HB TYR 61 HB1 TYR 61 146.105 -7.130 -5.497 503 HD1 TYR 61 HD1 TYR 61 147.346 -9.031 -5.880 504 HD2 TYR 61 HD2 TYR 61 147.774 -7.036 -2.147 505 HE1 TYR 61 HE1 TYR 61 149.047 -10.673 -5.205 506 HE2 TYR 61 HE2 TYR 61 149.478 -8.673 -1.462 507 HH TYR 61 HH TYR 61 151.002 -10.249 -2.403 508 H VAL 62 HN VAL 62 147.507 -3.181 -5.193 509 HA VAL 62 HA VAL 62 145.058 -2.304 -6.252 510 HB VAL 62 HB VAL 62 146.429 -0.471 -7.286 511 1HG1 VAL 62 HG11 VAL 62 146.108 0.550 -5.341 512 2HG1 VAL 62 HG12 VAL 62 147.483 -0.295 -4.635 513 3HG1 VAL 62 HG13 VAL 62 145.879 -1.022 -4.574 514 1HG2 VAL 62 HG21 VAL 62 148.694 -2.000 -6.010 515 2HG2 VAL 62 HG22 VAL 62 148.805 -0.334 -6.568 516 3HG2 VAL 62 HG23 VAL 62 148.491 -1.629 -7.719 517 H TYR 63 HN TYR 63 144.426 -4.064 -7.695 518 HA TYR 63 HA TYR 63 145.994 -4.683 -9.992 519 1HB TYR 63 HB2 TYR 63 144.401 -6.327 -9.425 520 2HB TYR 63 HB1 TYR 63 143.108 -5.149 -9.260 521 HD1 TYR 63 HD1 TYR 63 145.398 -5.208 -12.149 522 HD2 TYR 63 HD2 TYR 63 141.560 -6.308 -10.680 523 HE1 TYR 63 HE1 TYR 63 144.669 -5.703 -14.443 524 HE2 TYR 63 HE2 TYR 63 140.820 -6.805 -12.971 525 HH TYR 63 HH TYR 63 142.981 -7.041 -15.589 526 H ALA 64 HN ALA 64 146.618 -2.591 -10.764 527 HA ALA 64 HA ALA 64 144.820 -1.533 -12.736 528 1HB ALA 64 HB1 ALA 64 143.714 -0.098 -11.461 529 2HB ALA 64 HB2 ALA 64 145.218 0.804 -11.287 530 3HB ALA 64 HB3 ALA 64 144.769 -0.402 -10.084 531 H SER 65 HN SER 65 145.846 1.035 -12.986 532 HA SER 65 HA SER 65 147.628 2.250 -13.750 533 1HB SER 65 HB2 SER 65 149.739 1.921 -12.893 534 2HB SER 65 HB1 SER 65 148.796 1.008 -11.719 535 HG SER 65 HG SER 65 150.372 0.056 -13.851 536 H ASP 66 HN ASP 66 147.099 -1.016 -14.570 537 HA ASP 66 HA ASP 66 147.038 -0.934 -17.197 538 1HB ASP 66 HB2 ASP 66 149.139 0.047 -17.567 539 2HB ASP 66 HB1 ASP 66 149.920 -0.957 -16.351 540 H LYS 67 HN LYS 67 147.921 -2.596 -14.360 541 HA LYS 67 HA LYS 67 146.673 -4.988 -15.197 542 1HB LYS 67 HB2 LYS 67 149.592 -4.798 -15.585 543 2HB LYS 67 HB1 LYS 67 149.036 -6.252 -14.768 544 1HG LYS 67 HG2 LYS 67 147.397 -5.702 -17.066 545 2HG LYS 67 HG1 LYS 67 149.102 -5.755 -17.516 546 1HD LYS 67 HD2 LYS 67 148.957 -7.977 -17.513 547 2HD LYS 67 HD1 LYS 67 148.727 -7.906 -15.765 548 1HE LYS 67 HE2 LYS 67 146.521 -8.340 -15.910 549 2HE LYS 67 HE1 LYS 67 146.320 -7.357 -17.361 550 1HZ LYS 67 HZ1 LYS 67 146.800 -10.189 -17.110 551 2HZ LYS 67 HZ2 LYS 67 147.767 -9.433 -18.273 552 3HZ LYS 67 HZ3 LYS 67 146.083 -9.319 -18.372 553 H LEU 68 HN LEU 68 147.562 -6.873 -13.588 554 HA LEU 68 HA LEU 68 146.739 -6.057 -11.018 555 1HB LEU 68 HB2 LEU 68 147.422 -8.319 -10.306 556 2HB LEU 68 HB1 LEU 68 146.410 -8.328 -11.737 557 HG LEU 68 HG LEU 68 148.893 -8.318 -12.858 558 1HD1 LEU 68 HD11 LEU 68 149.310 -10.384 -10.806 559 2HD1 LEU 68 HD12 LEU 68 149.540 -8.720 -10.272 560 3HD1 LEU 68 HD13 LEU 68 150.475 -9.345 -11.631 561 1HD2 LEU 68 HD21 LEU 68 147.842 -10.975 -12.109 562 2HD2 LEU 68 HD22 LEU 68 148.270 -10.326 -13.692 563 3HD2 LEU 68 HD23 LEU 68 146.730 -9.894 -12.949 564 H PHE 69 HN PHE 69 147.892 -4.738 -9.733 565 HA PHE 69 HA PHE 69 150.660 -5.461 -9.197 566 1HB PHE 69 HB2 PHE 69 151.611 -3.455 -9.816 567 2HB PHE 69 HB1 PHE 69 150.377 -3.645 -11.049 568 HD1 PHE 69 HD1 PHE 69 148.244 -2.415 -10.791 569 HD2 PHE 69 HD2 PHE 69 151.675 -1.549 -8.458 570 HE1 PHE 69 HE1 PHE 69 147.330 -0.186 -10.303 571 HE2 PHE 69 HE2 PHE 69 150.775 0.683 -7.961 572 HZ PHE 69 HZ PHE 69 148.598 1.372 -8.876 573 H ARG 70 HN ARG 70 151.406 -4.892 -7.160 574 HA ARG 70 HA ARG 70 149.316 -4.137 -5.310 575 1HB ARG 70 HB2 ARG 70 150.081 -6.213 -4.653 576 2HB ARG 70 HB1 ARG 70 151.739 -5.857 -5.109 577 1HG ARG 70 HG2 ARG 70 150.685 -4.234 -2.898 578 2HG ARG 70 HG1 ARG 70 150.835 -5.960 -2.566 579 1HD ARG 70 HD2 ARG 70 153.095 -4.496 -3.857 580 2HD ARG 70 HD1 ARG 70 152.845 -4.353 -2.117 581 HE ARG 70 HE ARG 70 152.818 -6.997 -2.421 582 1HH1 ARG 70 HH11 ARG 70 155.006 -4.600 -3.713 583 2HH1 ARG 70 HH12 ARG 70 156.358 -5.681 -3.756 584 1HH2 ARG 70 HH21 ARG 70 154.597 -8.413 -2.475 585 2HH2 ARG 70 HH22 ARG 70 156.127 -7.843 -3.054 586 H ALA 71 HN ALA 71 149.588 -2.612 -3.712 587 HA ALA 71 HA ALA 71 151.902 -0.816 -4.016 588 1HB ALA 71 HB1 ALA 71 150.386 0.966 -3.131 589 2HB ALA 71 HB2 ALA 71 149.054 -0.181 -3.271 590 3HB ALA 71 HB3 ALA 71 149.924 0.339 -4.714 591 H ASP 72 HN ASP 72 153.116 -0.369 -2.148 592 HA ASP 72 HA ASP 72 151.947 -1.474 0.334 593 1HB ASP 72 HB2 ASP 72 154.046 -2.616 -0.942 594 2HB ASP 72 HB1 ASP 72 154.897 -1.496 0.116 595 H ILE 73 HN ILE 73 151.812 -0.120 1.958 596 HA ILE 73 HA ILE 73 153.443 2.331 1.894 597 HB ILE 73 HB ILE 73 151.023 2.246 3.610 598 1HG1 ILE 73 HG12 ILE 73 150.828 2.647 0.618 599 2HG1 ILE 73 HG11 ILE 73 150.251 1.222 1.476 600 1HG2 ILE 73 HG21 ILE 73 152.591 4.248 2.062 601 2HG2 ILE 73 HG22 ILE 73 152.075 4.277 3.748 602 3HG2 ILE 73 HG23 ILE 73 150.911 4.602 2.463 603 1HD1 ILE 73 HD11 ILE 73 148.490 2.353 2.437 604 2HD1 ILE 73 HD12 ILE 73 148.594 3.107 0.846 605 3HD1 ILE 73 HD13 ILE 73 149.266 3.927 2.255 606 H SER 74 HN SER 74 154.224 3.133 3.903 607 HA SER 74 HA SER 74 154.018 1.507 6.266 608 1HB SER 74 HB2 SER 74 156.622 1.393 6.366 609 2HB SER 74 HB1 SER 74 155.758 0.205 5.390 610 HG SER 74 HG SER 74 156.711 2.625 4.285 611 H GLU 75 HN GLU 75 153.520 3.124 7.625 612 HA GLU 75 HA GLU 75 155.258 5.498 7.618 613 1HB GLU 75 HB2 GLU 75 152.454 5.581 8.662 614 2HB GLU 75 HB1 GLU 75 153.448 6.898 8.055 615 1HG GLU 75 HG2 GLU 75 153.216 5.399 5.826 616 2HG GLU 75 HG1 GLU 75 151.688 5.031 6.621 617 H ASP 76 HN ASP 76 156.643 4.411 9.176 618 HA ASP 76 HA ASP 76 155.382 4.201 11.795 619 1HB ASP 76 HB2 ASP 76 157.829 2.726 10.847 620 2HB ASP 76 HB1 ASP 76 157.063 2.550 12.420 621 H TYR 77 HN TYR 77 157.381 4.125 13.486 622 HA TYR 77 HA TYR 77 159.146 6.399 12.988 623 1HB TYR 77 HB2 TYR 77 157.280 7.438 14.091 624 2HB TYR 77 HB1 TYR 77 157.194 6.152 15.287 625 HD1 TYR 77 HD1 TYR 77 158.656 6.136 17.200 626 HD2 TYR 77 HD2 TYR 77 159.042 9.139 14.212 627 HE1 TYR 77 HE1 TYR 77 160.099 7.440 18.706 628 HE2 TYR 77 HE2 TYR 77 160.487 10.452 15.708 629 HH TYR 77 HH TYR 77 161.898 10.158 17.631 630 H LYS 78 HN LYS 78 160.834 6.553 14.747 631 HA LYS 78 HA LYS 78 162.392 5.642 16.157 632 1HB LYS 78 HB2 LYS 78 160.090 4.127 16.764 633 2HB LYS 78 HB1 LYS 78 161.372 2.956 16.496 634 1HG LYS 78 HG2 LYS 78 162.344 5.111 18.119 635 2HG LYS 78 HG1 LYS 78 160.859 4.452 18.808 636 1HD LYS 78 HD2 LYS 78 161.820 2.204 18.734 637 2HD LYS 78 HD1 LYS 78 163.302 2.857 18.032 638 1HE LYS 78 HE2 LYS 78 163.913 2.770 20.233 639 2HE LYS 78 HE1 LYS 78 163.235 4.396 20.169 640 1HZ LYS 78 HZ1 LYS 78 162.305 2.071 21.590 641 2HZ LYS 78 HZ2 LYS 78 161.080 2.867 20.737 642 3HZ LYS 78 HZ3 LYS 78 161.999 3.711 21.879 643 H THR 79 HN THR 79 163.320 5.794 13.923 644 HA THR 79 HA THR 79 164.896 4.932 12.490 645 HB THR 79 HB THR 79 164.326 2.145 13.478 646 HG1 THR 79 HG1 THR 79 165.979 4.079 14.727 647 1HG2 THR 79 HG21 THR 79 166.482 3.457 11.985 648 2HG2 THR 79 HG22 THR 79 165.943 1.777 11.976 649 3HG2 THR 79 HG23 THR 79 167.006 2.355 13.259 650 H ARG 80 HN ARG 80 162.096 5.260 12.020 651 HA ARG 80 HA ARG 80 161.621 3.326 9.911 652 1HB ARG 80 HB2 ARG 80 159.597 4.832 11.532 653 2HB ARG 80 HB1 ARG 80 159.240 3.679 10.253 654 1HG ARG 80 HG2 ARG 80 160.789 2.924 12.713 655 2HG ARG 80 HG1 ARG 80 159.026 2.854 12.642 656 1HD ARG 80 HD2 ARG 80 159.036 1.165 11.041 657 2HD ARG 80 HD1 ARG 80 160.692 1.512 10.547 658 HE ARG 80 HE ARG 80 161.444 0.136 12.216 659 1HH1 ARG 80 HH11 ARG 80 158.079 0.870 12.784 660 2HH1 ARG 80 HH12 ARG 80 157.919 -0.270 14.077 661 1HH2 ARG 80 HH21 ARG 80 161.234 -1.365 13.915 662 2HH2 ARG 80 HH22 ARG 80 159.710 -1.540 14.719 663 H GLY 81 HN GLY 81 159.786 4.351 8.457 664 1HA GLY 81 HA2 GLY 81 160.647 7.079 7.735 665 2HA GLY 81 HA1 GLY 81 160.389 5.831 6.518 666 H ARG 82 HN ARG 82 158.651 6.596 5.427 667 HA ARG 82 HA ARG 82 156.109 6.158 6.276 668 1HB ARG 82 HB2 ARG 82 156.203 7.779 7.994 669 2HB ARG 82 HB1 ARG 82 157.004 8.949 6.958 670 1HG ARG 82 HG2 ARG 82 155.006 9.393 5.766 671 2HG ARG 82 HG1 ARG 82 154.190 8.003 6.485 672 1HD ARG 82 HD2 ARG 82 153.344 9.513 7.914 673 2HD ARG 82 HD1 ARG 82 154.918 9.398 8.700 674 HE ARG 82 HE ARG 82 155.137 11.326 6.715 675 1HH1 ARG 82 HH11 ARG 82 153.347 10.846 9.672 676 2HH1 ARG 82 HH12 ARG 82 153.229 12.538 10.023 677 1HH2 ARG 82 HH21 ARG 82 154.983 13.552 7.175 678 2HH2 ARG 82 HH22 ARG 82 154.157 14.075 8.605 679 H LYS 83 HN LYS 83 155.350 5.750 4.290 680 HA LYS 83 HA LYS 83 154.584 7.627 2.463 681 1HB LYS 83 HB2 LYS 83 156.407 7.234 0.657 682 2HB LYS 83 HB1 LYS 83 156.685 8.426 1.920 683 1HG LYS 83 HG2 LYS 83 158.408 7.289 2.787 684 2HG LYS 83 HG1 LYS 83 157.613 5.727 2.580 685 1HD LYS 83 HD2 LYS 83 159.147 5.391 0.976 686 2HD LYS 83 HD1 LYS 83 158.114 6.432 -0.004 687 1HE LYS 83 HE2 LYS 83 159.634 8.068 -0.047 688 2HE LYS 83 HE1 LYS 83 159.937 7.942 1.684 689 1HZ LYS 83 HZ1 LYS 83 161.817 7.396 0.029 690 2HZ LYS 83 HZ2 LYS 83 161.026 5.913 -0.151 691 3HZ LYS 83 HZ3 LYS 83 161.591 6.390 1.371 692 H LEU 84 HN LEU 84 153.929 6.851 0.397 693 HA LEU 84 HA LEU 84 153.535 3.932 0.330 694 1HB LEU 84 HB2 LEU 84 151.490 5.349 0.389 695 2HB LEU 84 HB1 LEU 84 152.003 6.115 -1.099 696 HG LEU 84 HG LEU 84 151.675 3.151 -1.067 697 1HD1 LEU 84 HD11 LEU 84 149.639 4.658 -0.094 698 2HD1 LEU 84 HD12 LEU 84 149.434 3.138 -0.962 699 3HD1 LEU 84 HD13 LEU 84 149.280 4.670 -1.820 700 1HD2 LEU 84 HD21 LEU 84 152.350 5.009 -2.979 701 2HD2 LEU 84 HD22 LEU 84 150.640 4.715 -3.294 702 3HD2 LEU 84 HD23 LEU 84 151.780 3.369 -3.284 703 H LEU 85 HN LEU 85 154.283 2.779 -1.468 704 HA LEU 85 HA LEU 85 155.230 4.241 -3.798 705 1HB LEU 85 HB2 LEU 85 157.531 2.995 -3.350 706 2HB LEU 85 HB1 LEU 85 157.197 4.606 -2.740 707 HG LEU 85 HG LEU 85 156.544 2.233 -1.029 708 1HD1 LEU 85 HD11 LEU 85 158.757 2.142 -0.144 709 2HD1 LEU 85 HD12 LEU 85 159.276 3.510 -1.129 710 3HD1 LEU 85 HD13 LEU 85 158.888 1.970 -1.895 711 1HD2 LEU 85 HD21 LEU 85 157.620 4.208 0.530 712 2HD2 LEU 85 HD22 LEU 85 155.901 3.980 0.216 713 3HD2 LEU 85 HD23 LEU 85 156.824 5.138 -0.741 714 H ARG 86 HN ARG 86 156.109 1.128 -2.305 715 HA ARG 86 HA ARG 86 156.626 -0.570 -4.148 716 1HB ARG 86 HB2 ARG 86 155.294 -0.827 -1.704 717 2HB ARG 86 HB1 ARG 86 154.354 -1.781 -2.843 718 1HG ARG 86 HG2 ARG 86 155.811 -3.404 -2.370 719 2HG ARG 86 HG1 ARG 86 156.895 -2.538 -3.461 720 1HD ARG 86 HD2 ARG 86 158.179 -1.735 -1.769 721 2HD ARG 86 HD1 ARG 86 156.823 -1.628 -0.647 722 HE ARG 86 HE ARG 86 157.288 -3.756 0.073 723 1HH1 ARG 86 HH11 ARG 86 159.032 -3.149 -2.889 724 2HH1 ARG 86 HH12 ARG 86 159.967 -4.601 -2.783 725 1HH2 ARG 86 HH21 ARG 86 158.519 -5.667 0.214 726 2HH2 ARG 86 HH22 ARG 86 159.676 -6.032 -1.022 727 H PHE 87 HN PHE 87 156.037 -0.023 -6.233 728 HA PHE 87 HA PHE 87 153.212 -0.481 -6.935 729 1HB PHE 87 HB2 PHE 87 155.078 1.595 -7.686 730 2HB PHE 87 HB1 PHE 87 154.499 0.748 -9.115 731 HD1 PHE 87 HD1 PHE 87 152.876 1.978 -10.159 732 HD2 PHE 87 HD2 PHE 87 152.864 1.755 -5.909 733 HE1 PHE 87 HE1 PHE 87 150.796 3.290 -10.099 734 HE2 PHE 87 HE2 PHE 87 150.784 3.066 -5.842 735 HZ PHE 87 HZ PHE 87 149.748 3.835 -7.939 736 H ASN 88 HN ASN 88 153.660 -2.778 -6.967 737 HA ASN 88 HA ASN 88 155.595 -4.047 -8.491 738 1HB ASN 88 HB2 ASN 88 153.582 -4.899 -6.888 739 2HB ASN 88 HB1 ASN 88 152.938 -5.344 -8.466 740 1HD2 ASN 88 HD21 ASN 88 156.198 -5.336 -7.061 741 2HD2 ASN 88 HD22 ASN 88 156.535 -6.995 -7.408 742 H GLY 89 HN GLY 89 154.684 -5.648 -10.372 743 1HA GLY 89 HA2 GLY 89 153.191 -4.051 -12.326 744 2HA GLY 89 HA1 GLY 89 154.815 -4.570 -12.748 745 HA PRO 90 HA PRO 90 152.633 -7.963 -14.730 746 1HB PRO 90 HB2 PRO 90 155.379 -9.118 -14.637 747 2HB PRO 90 HB1 PRO 90 154.257 -8.990 -15.998 748 1HG PRO 90 HG2 PRO 90 156.352 -7.359 -15.810 749 2HG PRO 90 HG1 PRO 90 154.785 -6.764 -16.392 750 1HD PRO 90 HD2 PRO 90 156.095 -6.379 -13.738 751 2HD PRO 90 HD1 PRO 90 155.085 -5.258 -14.673 752 H VAL 91 HN VAL 91 152.924 -10.503 -14.451 753 HA VAL 91 HA VAL 91 152.126 -11.107 -11.817 754 HB VAL 91 HB VAL 91 153.118 -13.091 -13.864 755 1HG1 VAL 91 HG11 VAL 91 152.795 -14.385 -12.026 756 2HG1 VAL 91 HG12 VAL 91 151.128 -14.339 -12.602 757 3HG1 VAL 91 HG13 VAL 91 151.642 -13.263 -11.301 758 1HG2 VAL 91 HG21 VAL 91 150.477 -11.684 -13.613 759 2HG2 VAL 91 HG22 VAL 91 150.620 -13.257 -14.399 760 3HG2 VAL 91 HG23 VAL 91 151.500 -11.869 -15.037
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